A0A096MIS4_RAT Loading...

Glutamate receptor

Receptor for glutamate that functions as a ligand-gated ion channel in the central nervous system and plays an important role in excitatory synaptic transmission. L-glutamate acts as an excitatory neurotransmitter at many synapses in the central nervous system.

AlphaFold DB , UniProt , Accession A0A096MIS4, Species RAT (Rattus norvegicus, Rat), Gene Grin3a, Length 903 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
1Q57.2Low70.7Confident226 Ų22697.8 Ų97.8100%1.05649%0.492SS*.  0149.40-70.8157.4-2700108.2
2N67.3Low69.2Low96 Ų9699.7 Ų99.751%0.51350%0.504SS..  trans-83.3118.7175.3177.42.4000109L4 H5N2-L4 PolarHBondContact O-N 3.22Å; N2-L4 PolarHBondContact OD1-N 3.5Å; N2-H5 HydrophobicContact CB-CB 4.07Å; N2-H5 WeakPolarHBondContact O-CB 3.4Å; N2-H5 PolarHBondContact O-N 3.22Å
3P67.7Low68.2Low50 Ų5094.3 Ų94.333%0.32548%0.482SS..THydrogen-bonded Turntrans-74.5-0.7-177.534.6-38.8000113.8S202P3-S202 VanDerWaalsContact O-CB 3.22Å; P3-S202 WeakPolarHBondContact O-CB 3.4Å
4L71.4Confident67.1Low82 Ų8293 Ų9343%0.42948%0.476SS..THydrogen-bonded Turntrans-102.81.3169.3-62.7173.6000112.9N2 L6 L205N2-L4 PolarHBondContact O-N 3.22Å; N2-L4 PolarHBondContact OD1-N 3.5Å; L4-L6 PolarHBondContact O-N 3.41Å; L4-L205 HydrophobicContact CD2-CD1 3.93Å
5H80.1Confident66.6Low108 Ų10887.1 Ų87.150%0.545%0.446SS..  trans-83.790173.7-179-73.5000109.8N2 T223N2-H5 HydrophobicContact CB-CB 4.07Å; N2-H5 WeakPolarHBondContact O-CB 3.4Å; N2-H5 PolarHBondContact O-N 3.22Å; H5-T223 VanDerWaalsContact O-CB 3.31Å; H5-T223 WeakPolarHBondContact O-CB 3.49Å; H5-T223 WeakPolarHBondContact O-CG2 3.41Å
6L77.6Confident66.8Low48 Ų4883.4 Ų83.425%0.25143%0.43SS..  trans-88.7126.4173.6-65.5170.7000110.2L4 L163 L205 V219 T223 I225L4-L6 PolarHBondContact O-N 3.41Å; L6-L163 HydrophobicContact CD1-CD2 4.42Å; L6-L205 HydrophobicContact CD1-CB 4.4Å; L6-L205 HydrophobicContact CD1-CD1 4.27Å; L6-L205 HydrophobicContact CD1-CD2 4.05Å; L6-L205 HydrophobicContact CD1-CG 4.47Å; L6-V219 HydrophobicContact CD2-CG1 4.46Å; L6-T223 CarbonylContact C-O 3.56Å; L6-T223 WeakPolarHBondContact CA-O 3.22Å; L6-I225 HydrophobicContact CB-CD1 3.87Å; L6-I225 HydrophobicContact CB-CG1 4.2Å; L6-I225 HydrophobicContact CD1-CD1 4.28Å; L6-I225 HydrophobicContact CD2-CG1 4.21Å; L6-I225 HydrophobicContact CG-CD1 4.46Å
7Q81.1Confident67.4Low118 Ų11880.5 Ų80.555%0.55142%0.416SS*.EExtended strand (participates in β ladder)trans-114.7116173.6-178.1176.4-2.200108.7T223 I224 I225Q7-T223 PolarHBondContact N-O 3.44Å; Q7-I224 WeakPolarHBondContact O-CA 3.36Å; Q7-I225 PolarHBondContact O-N 3.29Å
8L76.8Confident68.3Low47 Ų4776.6 Ų76.625%0.24640%0.397CS..EExtended strand (participates in β ladder)trans-90.9120.3169.8178.556.6000107.8Y156 I225L8-Y156 HydrophobicContact CD1-CD1 4.31Å; L8-Y156 HydrophobicContact CD2-CD1 3.93Å; L8-Y156 HydrophobicContact CD2-CG 4.33Å; L8-Y156 HydrophobicContact CG-CD1 4.29Å; L8-I225 HydrophobicContact CB-CB 4.22Å; L8-I225 HydrophobicContact CB-CD1 4.35Å; L8-I225 HydrophobicContact CD1-CB 3.89Å; L8-I225 HydrophobicContact CD1-CG2 3.8Å
9S69.8Low69.2Low33 Ų3374.9 Ų74.923%0.23139%0.389CS..  trans-87.7136.6172.1-171.30000110E11 N12S9-E11 PolarHBondContact OG-N 3.24Å; S9-N12 PolarHBondContact OG-N 2.99Å
10L69.3Low70.1Confident95 Ų9571.2 Ų71.250%0.49737%0.369SS..SBendtrans-85-21.6175.8-67.1167.1000112.4Y156L10-Y156 HydrophobicContact CD2-CD1 4.32Å; L10-Y156 HydrophobicContact CD2-CD2 3.46Å; L10-Y156 VanDerWaalsContact CD2-CD2 3.46Å; L10-Y156 HydrophobicContact CD2-CE1 4.39Å; L10-Y156 HydrophobicContact CD2-CE2 3.56Å; L10-Y156 HydrophobicContact CD2-CG 3.84Å
11E59.3Low71Confident173 Ų17367.8 Ų67.881%0.80835%0.352SS*.SBendtrans-117.8-22.2-169.9-64.5178.5141.400113.6S9 S13S9-E11 PolarHBondContact OG-N 3.24Å; E11-S13 PolarHBondContact O-N 3.2Å
12N53.4Low72.5Confident120 Ų12057.8 Ų57.864%0.64231%0.306SS*.  trans-88.383.5-179.7-66.79.2000111.5S9S9-N12 PolarHBondContact OG-N 2.99Å
13S56.1Low73.4Confident30 Ų3054 Ų5421%0.2129%0.287CS..  trans-63139.9162.350.90000110.4E11 S15E11-S13 PolarHBondContact O-N 3.2Å; S13-S15 WeakPolarHBondContact CB-O 3.48Å; S13-S15 PolarHBondContact OG-O 3.36Å
14L52.4Low74.4Confident76 Ų7651.8 Ų51.840%0.39827%0.272SS..SBendtrans-72.8-21.6172.3-115.689.6000112.7K220 S226L14-K220 HydrophobicContact CD1-CD 4.05Å; L14-K220 HydrophobicContact CD2-CD 4.13Å; L14-K220 HydrophobicContact CG-CD 4.48Å; L14-S226 VanDerWaalsContact CD1-CB 3.49Å
15S59.2Low75.1Confident4 Ų447.9 Ų47.93%0.02825%0.252CS..SBendtrans-82.8120.2167.731.10000109.7S13 W252S13-S15 WeakPolarHBondContact CB-O 3.48Å; S13-S15 PolarHBondContact OG-O 3.36Å; S15-W252 VanDerWaalsContact CB-CZ3 3.48Å
16S69.6Low75.3Confident28 Ų2845 Ų4520%0.19624%0.243CC..  trans-78.6156.9163.565.30000110A18 D19S16-A18 PolarHBondContact O-N 3.06Å; S16-A18 WeakPolarHBondContact OG-CB 3.34Å; S16-D19 WeakPolarHBondContact CB-OD2 3.22Å; S16-D19 PolarHBondContact N-OD2 2.86Å; S16-D19 WeakPolarHBondContact O-CB 3.49Å; S16-D19 PolarHBondContact O-N 3.3Å; S16-D19 VanDerWaalsContact OG-CG 3.31Å; S16-D19 PolarHBondContact OG-N 2.97Å; S16-D19 PolarHBondContact OG-OD2 3.26Å
17D77.6Confident75.4Confident35 Ų3546.4 Ų46.419%0.18725%0.248CC..Hα-helixtrans-61.9-25171.4-621.5000110.4V20 T21 S127 H145 K147 F231D17-V20 PolarHBondContact O-N 3.1Å; D17-T21 WeakPolarHBondContact O-CB 3.43Å; D17-T21 PolarHBondContact O-N 3.02Å; D17-T21 PolarHBondContact O-OG1 3.04Å; D17-S127 VanDerWaalsContact CG-OG 3.27Å; D17-S127 PolarHBondContact OD1-OG 2.87Å; D17-S127 WeakPolarHBondContact OD2-CB 3.38Å; D17-S127 PolarHBondContact OD2-N 2.96Å; D17-S127 PolarHBondContact OD2-OG 2.88Å; D17-H145 PolarHBondContact O-NE2 3.23Å; D17-K147 IonicContact OD1-NZ 2.69Å; D17-K147 PolarHBondContact OD1-NZ 3.13Å; D17-K147 IonicContact OD2-NZ 3.34Å; D17-K147 PolarHBondContact OD2-NZ 2.98Å; D17-F231 VanDerWaalsContact OD1-CE1 3.28Å; D17-F231 WeakPolarHBondContact OD1-CE1 3.45Å; D17-F231 WeakPolarHBondContact OD1-CZ 3.28Å
18A83.4Confident75.2Confident9 Ų942.5 Ų42.57%0.07423%0.232CC..Hα-helixtrans-64.6-41170.500000113.8S16 V20 T21 V22 F47 L50S16-A18 PolarHBondContact O-N 3.06Å; S16-A18 WeakPolarHBondContact OG-CB 3.34Å; A18-V20 VanDerWaalsContact C-N 3.27Å; A18-V20 PolarHBondContact O-N 3.24Å; A18-T21 PolarHBondContact O-N 3.18Å; A18-V22 WeakPolarHBondContact O-CB 3.41Å; A18-V22 WeakPolarHBondContact O-CG2 3.29Å; A18-V22 PolarHBondContact O-N 3.22Å; A18-F47 HydrophobicContact CB-CB 3.6Å; A18-F47 HydrophobicContact CB-CD2 4Å; A18-F47 HydrophobicContact CB-CG 4.3Å; A18-L50 HydrophobicContact CB-CD1 4.13Å
19D84.9Confident75.2Confident45 Ų4545.2 Ų45.224%0.24125%0.246CC..Hα-helixtrans-59.4-40.9175.6-69.9-75.4000111.2S16 S23 W252S16-D19 WeakPolarHBondContact CB-OD2 3.22Å; S16-D19 PolarHBondContact N-OD2 2.86Å; S16-D19 WeakPolarHBondContact O-CB 3.49Å; S16-D19 PolarHBondContact O-N 3.3Å; S16-D19 VanDerWaalsContact OG-CG 3.31Å; S16-D19 PolarHBondContact OG-N 2.97Å; S16-D19 PolarHBondContact OG-OD2 3.26Å; D19-S23 WeakPolarHBondContact O-CB 3.42Å; D19-S23 PolarHBondContact O-N 3.1Å; D19-S23 PolarHBondContact O-OG 3.19Å; D19-W252 HydrophobicContact CB-CZ2 3.97Å
20V87.1Confident75.9Confident0 Ų045.5 Ų45.50%024%0.242CC..Hα-helixtrans-68.8-45.1178-172.80000110.2D17 A18 S23 I24 H145 F231 W252D17-V20 PolarHBondContact O-N 3.1Å; A18-V20 VanDerWaalsContact C-N 3.27Å; A18-V20 PolarHBondContact O-N 3.24Å; V20-S23 CarbonylContact O-C 3.53Å; V20-S23 WeakPolarHBondContact O-CA 3.37Å; V20-S23 WeakPolarHBondContact O-CB 3.22Å; V20-S23 PolarHBondContact O-N 3.18Å; V20-S23 VanDerWaalsContact O-N 3.12Å; V20-I24 HydrophobicContact CG1-CD1 4.28Å; V20-I24 WeakPolarHBondContact O-CG1 3.49Å; V20-I24 PolarHBondContact O-N 2.92Å; V20-H145 HydrophobicContact CG1-CB 4.03Å; V20-H145 VanDerWaalsContact CG1-CD2 3.49Å; V20-H145 WeakPolarHBondContact CG1-CD2 3.48Å; V20-F231 HydrophobicContact CG1-CB 4.34Å; V20-F231 HydrophobicContact CG2-CB 4.18Å; V20-F231 HydrophobicContact CG2-CD1 4.02Å; V20-F231 HydrophobicContact CG2-CD2 3.64Å; V20-F231 HydrophobicContact CG2-CE1 4.21Å; V20-F231 HydrophobicContact CG2-CE2 3.88Å; V20-F231 HydrophobicContact CG2-CG 3.7Å; V20-F231 HydrophobicContact CG2-CZ 4.14Å; V20-W252 HydrophobicContact CG1-CB 4.26Å; V20-W252 HydrophobicContact CG1-CG 4.26Å; V20-W252 HydrophobicContact CG2-CD2 4.05Å; V20-W252 HydrophobicContact CG2-CE3 4.49Å; V20-W252 HydrophobicContact CG2-CG 4.07Å
21T88.8Confident76.5Confident0 Ų043.1 Ų43.10%023%0.227CC..Hα-helixtrans-61.8-46.5178.1-560000111.8D17 A18 S23 I24 L25 F47 V94 F96 V123 G125 H145D17-T21 WeakPolarHBondContact O-CB 3.43Å; D17-T21 PolarHBondContact O-N 3.02Å; D17-T21 PolarHBondContact O-OG1 3.04Å; A18-T21 PolarHBondContact O-N 3.18Å; T21-S23 VanDerWaalsContact C-N 3.27Å; T21-S23 PolarHBondContact O-N 2.83Å; T21-I24 WeakPolarHBondContact O-CB 3.07Å; T21-I24 PolarHBondContact O-N 3.08Å; T21-I24 VanDerWaalsContact O-N 3.13Å; T21-L25 WeakPolarHBondContact O-CG 3.41Å; T21-L25 PolarHBondContact O-N 3.42Å; T21-F47 HydrophobicContact CG2-CD2 4.36Å; T21-F47 HydrophobicContact CG2-CE2 3.74Å; T21-V94 HydrophobicContact CG2-CG1 3.78Å; T21-F96 HydrophobicContact CG2-CZ 4.38Å; T21-V123 HydrophobicContact CG2-CG1 4.34Å; T21-G125 PolarHBondContact OG1-O 3.34Å; T21-H145 PolarHBondContact OG1-CE1 3.39Å; T21-H145 VanDerWaalsContact OG1-CE1 3.31Å
22V88.6Confident77.8Confident16 Ų1638 Ų3810%0.09721%0.205CC..Hα-helixtrans-63-33.5173.8173.60000111.5A18 L25 T26 F47 L50 T51 F57A18-V22 WeakPolarHBondContact O-CB 3.41Å; A18-V22 WeakPolarHBondContact O-CG2 3.29Å; A18-V22 PolarHBondContact O-N 3.22Å; V22-L25 PolarHBondContact O-N 2.86Å; V22-T26 HydrophobicContact CG1-CG2 4.33Å; V22-T26 WeakPolarHBondContact O-CB 3.4Å; V22-T26 WeakPolarHBondContact O-CG2 3.18Å; V22-T26 PolarHBondContact O-N 3.04Å; V22-T26 PolarHBondContact O-OG1 3.04Å; V22-F47 HydrophobicContact CG2-CD2 3.75Å; V22-F47 HydrophobicContact CG2-CE2 3.58Å; V22-F47 HydrophobicContact CG2-CZ 4.47Å; V22-L50 HydrophobicContact CG2-CB 4.12Å; V22-T51 HydrophobicContact CG2-CG2 3.88Å; V22-F57 HydrophobicContact CG1-CE2 3.92Å; V22-F57 HydrophobicContact CG1-CZ 4.16Å
23S87.5Confident79.4Confident17 Ų1732.2 Ų32.212%0.11917%0.174CC..Hα-helixtrans-66.5-38.1173.4-58.40000112.5D19 V20 T21 T26 M27 W252D19-S23 WeakPolarHBondContact O-CB 3.42Å; D19-S23 PolarHBondContact O-N 3.1Å; D19-S23 PolarHBondContact O-OG 3.19Å; V20-S23 CarbonylContact O-C 3.53Å; V20-S23 WeakPolarHBondContact O-CA 3.37Å; V20-S23 WeakPolarHBondContact O-CB 3.22Å; V20-S23 PolarHBondContact O-N 3.18Å; V20-S23 VanDerWaalsContact O-N 3.12Å; T21-S23 VanDerWaalsContact C-N 3.27Å; T21-S23 PolarHBondContact O-N 2.83Å; S23-T26 WeakPolarHBondContact CA-OG1 3.31Å; S23-T26 PolarHBondContact O-OG1 2.82Å; S23-M27 VanDerWaalsContact O-CB 3.27Å; S23-M27 WeakPolarHBondContact O-CB 3.31Å; S23-M27 PolarHBondContact O-N 2.97Å; S23-W252 PolarHBondContact OG-NE1 3.49Å
24I87.3Confident80.9Confident3 Ų330.8 Ų30.82%0.01516%0.164CC..Hα-helixtrans-65.3-47.1174.5-68.3165.1000110.3V20 T21 M27 N28 V123 I143 H145 I233 I257V20-I24 HydrophobicContact CG1-CD1 4.28Å; V20-I24 WeakPolarHBondContact O-CG1 3.49Å; V20-I24 PolarHBondContact O-N 2.92Å; T21-I24 WeakPolarHBondContact O-CB 3.07Å; T21-I24 PolarHBondContact O-N 3.08Å; T21-I24 VanDerWaalsContact O-N 3.13Å; I24-M27 PolarHBondContact O-N 3.43Å; I24-N28 PolarHBondContact O-N 3.4Å; I24-N28 PolarHBondContact O-ND2 3.2Å; I24-V123 HydrophobicContact CG2-CG1 4.42Å; I24-I143 HydrophobicContact CD1-CG2 4.2Å; I24-I143 HydrophobicContact CG2-CD1 4.41Å; I24-I143 HydrophobicContact CG2-CG2 4.25Å; I24-H145 HydrophobicContact CD1-CB 4.09Å; I24-I233 HydrophobicContact CD1-CD1 4.16Å; I24-I233 HydrophobicContact CD1-CG1 4.25Å; I24-I233 HydrophobicContact CD1-CG2 4.23Å; I24-I233 HydrophobicContact CG1-CD1 3.89Å; I24-I257 HydrophobicContact CB-CD1 4.46Å; I24-I257 HydrophobicContact CG1-CD1 3.85Å
25L86.4Confident82.6Confident0 Ų027.2 Ų27.20%015%0.145CC..Hα-helixtrans-63.2-46.6178.9-64.3178.5000112.1T21 V22 N28 N29 W30 F33 F47 F57 T92 V94T21-L25 WeakPolarHBondContact O-CG 3.41Å; T21-L25 PolarHBondContact O-N 3.42Å; V22-L25 PolarHBondContact O-N 2.86Å; L25-N28 PolarHBondContact O-N 3.11Å; L25-N29 PolarHBondContact O-N 3.28Å; L25-N29 VanDerWaalsContact O-N 3.13Å; L25-W30 HydrophobicContact CD2-CB 4.01Å; L25-W30 HydrophobicContact CD2-CE3 4.11Å; L25-W30 PolarHBondContact O-N 3.05Å; L25-F33 HydrophobicContact CD1-CD1 4.13Å; L25-F33 HydrophobicContact CD1-CE1 4.48Å; L25-F33 HydrophobicContact CD1-CG 4.39Å; L25-F47 HydrophobicContact CD1-CE2 4.24Å; L25-F47 HydrophobicContact CD1-CZ 3.95Å; L25-F57 HydrophobicContact CB-CE1 3.78Å; L25-F57 HydrophobicContact CB-CZ 3.94Å; L25-F57 HydrophobicContact CD1-CE1 4.04Å; L25-T92 HydrophobicContact CD2-CG2 3.94Å; L25-V94 HydrophobicContact CD1-CG2 4.33Å; L25-V94 HydrophobicContact CD2-CG2 4.2Å
26T84.1Confident83.9Confident49 Ų4927.1 Ų27.130%0.30115%0.145SC..Hα-helixtrans-65-39.3178.547.50000112.9V22 S23 N28 N29 Y31 F57V22-T26 HydrophobicContact CG1-CG2 4.33Å; V22-T26 WeakPolarHBondContact O-CB 3.4Å; V22-T26 WeakPolarHBondContact O-CG2 3.18Å; V22-T26 PolarHBondContact O-N 3.04Å; V22-T26 PolarHBondContact O-OG1 3.04Å; S23-T26 WeakPolarHBondContact CA-OG1 3.31Å; S23-T26 PolarHBondContact O-OG1 2.82Å; T26-N28 VanDerWaalsContact C-N 3.27Å; T26-N28 PolarHBondContact O-N 2.89Å; T26-N29 PolarHBondContact O-N 3.09Å; T26-Y31 HydrophobicContact CG2-CE1 4.47Å; T26-F57 HydrophobicContact CG2-CE2 3.63Å; T26-F57 HydrophobicContact CG2-CZ 3.53Å
27M80.8Confident84.7Confident76 Ų7626.2 Ų26.237%0.37414%0.138SC..Hα-helixtrans-60.9-37.2175.7177.9173.816900112.2S23 I24 I257 M259 W264S23-M27 VanDerWaalsContact O-CB 3.27Å; S23-M27 WeakPolarHBondContact O-CB 3.31Å; S23-M27 PolarHBondContact O-N 2.97Å; I24-M27 PolarHBondContact O-N 3.43Å; M27-I257 HydrophobicContact CB-CD1 4.21Å; M27-I257 HydrophobicContact SD-CB 3.95Å; M27-I257 HydrophobicContact SD-CD1 3.9Å; M27-I257 HydrophobicContact SD-CG2 3.92Å; M27-M259 HydrophobicContact CE-CG 3.81Å; M27-M259 HydrophobicContact CE-SD 3.68Å; M27-M259 HydrophobicContact SD-SD 4.17Å; M27-W264 HydrophobicContact CE-CH2 3.97Å; M27-W264 HydrophobicContact CE-CZ2 4.09Å; M27-W264 HydrophobicContact CE-CZ3 4.24Å; M27-W264 HydrophobicContact SD-CH2 4.47Å
28N76.1Confident84.7Confident37 Ų3725.1 Ų25.120%0.19813%0.132CC..Hα-helixtrans-85.9-4.7179.8-76-81.8000114.4I24 L25 T26 W30 W264I24-N28 PolarHBondContact O-N 3.4Å; I24-N28 PolarHBondContact O-ND2 3.2Å; L25-N28 PolarHBondContact O-N 3.11Å; T26-N28 VanDerWaalsContact C-N 3.27Å; T26-N28 PolarHBondContact O-N 2.89Å; N28-W30 HydrophobicContact CB-CB 4.35Å; N28-W30 HydrophobicContact CB-CD2 3.41Å; N28-W30 VanDerWaalsContact CB-CD2 3.41Å; N28-W30 HydrophobicContact CB-CE3 3.86Å; N28-W30 HydrophobicContact CB-CG 3.64Å; N28-W30 HydrophobicContact CB-CH2 4.43Å; N28-W30 HydrophobicContact CB-CZ2 4.05Å; N28-W30 HydrophobicContact CB-CZ3 4.34Å; N28-W30 PolarHBondContact O-N 3.02Å; N28-W264 WeakPolarHBondContact OD1-CZ2 3.21Å
29N77.4Confident84.4Confident103 Ų10328.7 Ų28.755%0.55115%0.147SC*.THydrogen-bonded Turntrans56.226.2-166.1-61.2-76000114L25 T26 Y31L25-N29 PolarHBondContact O-N 3.28Å; L25-N29 VanDerWaalsContact O-N 3.13Å; T26-N29 PolarHBondContact O-N 3.09Å; N29-Y31 HydrophobicContact CB-CD2 4.1Å; N29-Y31 HydrophobicContact CB-CE2 3.5Å; N29-Y31 WeakPolarHBondContact O-CD2 3.31Å; N29-Y31 PolarHBondContact O-N 3.16Å; N29-Y31 VanDerWaalsContact OD1-CE2 3.24Å; N29-Y31 WeakPolarHBondContact OD1-CE2 3.43Å; N29-Y31 PolarHBondContact OD1-OH 2.81Å
30W84.1Confident83.6Confident39 Ų3932 Ų3215%0.14816%0.162CC..  trans-79.670.9174.7-65.8-18.6000110.5L25 N28 T92 H121 V123 I143L25-W30 HydrophobicContact CD2-CB 4.01Å; L25-W30 HydrophobicContact CD2-CE3 4.11Å; L25-W30 PolarHBondContact O-N 3.05Å; N28-W30 HydrophobicContact CB-CB 4.35Å; N28-W30 HydrophobicContact CB-CD2 3.41Å; N28-W30 VanDerWaalsContact CB-CD2 3.41Å; N28-W30 HydrophobicContact CB-CE3 3.86Å; N28-W30 HydrophobicContact CB-CG 3.64Å; N28-W30 HydrophobicContact CB-CH2 4.43Å; N28-W30 HydrophobicContact CB-CZ2 4.05Å; N28-W30 HydrophobicContact CB-CZ3 4.34Å; N28-W30 PolarHBondContact O-N 3.02Å; W30-T92 HydrophobicContact CB-CG2 4.22Å; W30-T92 HydrophobicContact CD2-CG2 4.29Å; W30-T92 HydrophobicContact CE3-CG2 4Å; W30-T92 HydrophobicContact CG-CG2 4.41Å; W30-H121 HydrophobicContact CD2-CB 4.38Å; W30-H121 AromaticContact CE2-CD2 3.37Å; W30-H121 AromaticContact CE2-CG 3.64Å; W30-H121 AromaticContact CE2-NE2 3.79Å; W30-H121 HydrophobicContact CE3-CB 4.33Å; W30-H121 HydrophobicContact CH2-CB 3.78Å; W30-H121 AromaticContact CH2-CG 3.87Å; W30-H121 HydrophobicContact CZ2-CB 3.8Å; W30-H121 AromaticContact CZ2-CD2 3.57Å; W30-H121 AromaticContact CZ2-CE1 3.84Å; W30-H121 AromaticContact CZ2-CG 3.37Å; W30-H121 AromaticContact CZ2-ND1 3.56Å; W30-H121 AromaticContact CZ2-NE2 3.85Å; W30-H121 HydrophobicContact CZ3-CB 4.05Å; W30-H121 AromaticContact NE1-CD2 3.29Å; W30-H121 PolarHBondContact NE1-CD2 3.35Å; W30-H121 VanDerWaalsContact NE1-CD2 3.29Å; W30-H121 AromaticContact NE1-NE2 3.44Å; W30-H121 PolarHBondContact NE1-NE2 3.43Å; W30-V123 HydrophobicContact CE3-CG2 4.23Å; W30-V123 HydrophobicContact CZ3-CG2 3.79Å; W30-I143 HydrophobicContact CH2-CD1 3.76Å; W30-I143 HydrophobicContact CZ3-CD1 3.91Å
31Y82.6Confident82.7Confident45 Ų4539.9 Ų39.918%0.17620%0.204CC..  trans-81.5-28.9-175.6-59.7-67.7000114T26 N29 K56 F57 H58T26-Y31 HydrophobicContact CG2-CE1 4.47Å; N29-Y31 HydrophobicContact CB-CD2 4.1Å; N29-Y31 HydrophobicContact CB-CE2 3.5Å; N29-Y31 WeakPolarHBondContact O-CD2 3.31Å; N29-Y31 PolarHBondContact O-N 3.16Å; N29-Y31 VanDerWaalsContact OD1-CE2 3.24Å; N29-Y31 WeakPolarHBondContact OD1-CE2 3.43Å; N29-Y31 PolarHBondContact OD1-OH 2.81Å; Y31-K56 WeakPolarHBondContact CB-O 3.45Å; Y31-K56 HydrophobicContact CD1-CB 3.63Å; Y31-K56 HydrophobicContact CD1-CD 4.05Å; Y31-K56 HydrophobicContact CE1-CB 3.9Å; Y31-K56 HydrophobicContact CE1-CD 3.44Å; Y31-K56 VanDerWaalsContact CE1-CD 3.44Å; Y31-K56 HydrophobicContact CE1-CG 4.37Å; Y31-K56 HydrophobicContact CE2-CD 4.25Å; Y31-K56 HydrophobicContact CG-CB 4.15Å; Y31-K56 PolarHBondContact OH-NZ 3.04Å; Y31-K56 VanDerWaalsContact OH-NZ 3.08Å; Y31-F57 HydrophobicContact CD1-CD1 4.28Å; Y31-F57 HydrophobicContact CD1-CE1 4.09Å; Y31-F57 HydrophobicContact CD1-CZ 4.25Å; Y31-F57 WeakPolarHBondContact O-CA 3.36Å; Y31-F57 WeakPolarHBondContact O-CD1 3.38Å; Y31-H58 PolarHBondContact O-N 3.26Å
32N85.8Confident82.2Confident65 Ų6544.9 Ų44.935%0.34822%0.223SC..EExtended strand (participates in β ladder)trans-88.5126.5168.3-71.443.6000109H58 E60 T90N32-H58 WeakPolarHBondContact CA-O 3.27Å; N32-E60 PolarHBondContact ND2-OE1 2.94Å; N32-T90 HydrophobicContact CB-CG2 4.02Å
33F87.3Confident81.6Confident0 Ų049.4 Ų49.40%025%0.247CC..EExtended strand (participates in β ladder)trans-148.9157.4176.167.3-88.9000112.1L25 L35 F47 T51 F57 H58 L59 E60 T92 V94L25-F33 HydrophobicContact CD1-CD1 4.13Å; L25-F33 HydrophobicContact CD1-CE1 4.48Å; L25-F33 HydrophobicContact CD1-CG 4.39Å; F33-L35 HydrophobicContact CD2-CD2 3.86Å; F33-L35 HydrophobicContact CD2-CG 4.2Å; F33-L35 HydrophobicContact CE2-CD1 4.4Å; F33-L35 HydrophobicContact CE2-CD2 3.72Å; F33-L35 HydrophobicContact CE2-CG 3.89Å; F33-F47 HydrophobicContact CD2-CE1 4.46Å; F33-F47 AromaticContact CE2-CE1 3.54Å; F33-F47 HydrophobicContact CE2-CE1 3.54Å; F33-F47 AromaticContact CE2-CZ 3.91Å; F33-F47 HydrophobicContact CE2-CZ 3.91Å; F33-F47 AromaticContact CZ-CE1 3.66Å; F33-F47 HydrophobicContact CZ-CE1 3.66Å; F33-F47 AromaticContact CZ-CZ 3.92Å; F33-F47 HydrophobicContact CZ-CZ 3.92Å; F33-T51 HydrophobicContact CE1-CG2 4.05Å; F33-T51 HydrophobicContact CZ-CG2 3.95Å; F33-F57 AromaticContact CD1-CD1 3.95Å; F33-F57 HydrophobicContact CD1-CD1 3.95Å; F33-F57 HydrophobicContact CD1-CE1 4.45Å; F33-F57 HydrophobicContact CE1-CB 4.29Å; F33-F57 AromaticContact CE1-CD1 3.66Å; F33-F57 HydrophobicContact CE1-CD1 3.66Å; F33-F57 HydrophobicContact CE1-CE1 4.37Å; F33-F57 HydrophobicContact CE1-CG 4.29Å; F33-H58 PolarHBondContact N-O 3.47Å; F33-H58 VanDerWaalsContact N-O 3.08Å; F33-L59 HydrophobicContact CD2-CD1 4.18Å; F33-L59 HydrophobicContact CE2-CB 4.41Å; F33-L59 HydrophobicContact CE2-CD1 3.72Å; F33-L59 HydrophobicContact CZ-CB 4.28Å; F33-L59 HydrophobicContact CZ-CD1 4.41Å; F33-E60 PolarHBondContact O-N 2.94Å; F33-T92 WeakPolarHBondContact CA-O 3.47Å; F33-T92 HydrophobicContact CB-CG2 4.3Å; F33-V94 HydrophobicContact CB-CG2 4.45Å; F33-V94 HydrophobicContact CD2-CG2 4.42Å
34S87.6Confident81.4Confident0 Ų049.6 Ų49.60%025%0.246CC..EExtended strand (participates in β ladder)trans-118.5144.6171.4-73.70000110.1S61 T90 T92 M93 V94S34-S61 WeakPolarHBondContact CA-O 3.3Å; S34-S61 WeakPolarHBondContact CB-OG 3.34Å; S34-S61 PolarHBondContact OG-N 2.87Å; S34-S61 PolarHBondContact OG-OG 2.86Å; S34-T90 PolarHBondContact OG-OG1 2.65Å; S34-T92 PolarHBondContact N-O 3.18Å; S34-M93 VanDerWaalsContact CB-CE 3.41Å; S34-M93 WeakPolarHBondContact O-CA 3.43Å; S34-V94 PolarHBondContact O-N 3.06Å
35L88.5Confident81.2Confident0 Ų053.2 Ų53.20%027%0.268CS..EExtended strand (participates in β ladder)trans-100.5141.9-178.5-66-176.9000112F33 I44 F47 L48 L59 S61 V62 I63 V94 F96F33-L35 HydrophobicContact CD2-CD2 3.86Å; F33-L35 HydrophobicContact CD2-CG 4.2Å; F33-L35 HydrophobicContact CE2-CD1 4.4Å; F33-L35 HydrophobicContact CE2-CD2 3.72Å; F33-L35 HydrophobicContact CE2-CG 3.89Å; L35-I44 HydrophobicContact CD1-CD1 3.96Å; L35-F47 HydrophobicContact CD1-CE1 4.42Å; L35-F47 HydrophobicContact CD2-CD1 4.49Å; L35-F47 HydrophobicContact CD2-CE1 3.88Å; L35-L48 HydrophobicContact CD1-CD2 4.09Å; L35-L59 HydrophobicContact CB-CD1 4.44Å; L35-L59 HydrophobicContact CD1-CD1 4.06Å; L35-L59 HydrophobicContact CG-CD1 3.78Å; L35-S61 PolarHBondContact N-O 3.02Å; L35-V62 HydrophobicContact CB-CB 4.48Å; L35-V62 HydrophobicContact CB-CG1 4.2Å; L35-V62 HydrophobicContact CB-CG2 4.27Å; L35-V62 HydrophobicContact CD1-CG2 4.33Å; L35-V62 CarbonylContact O-C 3.54Å; L35-V62 WeakPolarHBondContact O-CA 3.29Å; L35-I63 PolarHBondContact O-N 3.24Å; L35-V94 HydrophobicContact CD2-CB 3.92Å; L35-F96 HydrophobicContact CD2-CD2 4.12Å; L35-F96 HydrophobicContact CD2-CE2 3.8Å
36L86.3Confident80.9Confident2 Ų257.3 Ų57.31%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-125.5117.1172.6-178162.8000108.7I65 M93 V94 M95 F96 I106 W122L36-I65 HydrophobicContact CD1-CD1 4.13Å; L36-I65 HydrophobicContact CD2-CD1 3.57Å; L36-I65 HydrophobicContact CD2-CG1 4.49Å; L36-I65 HydrophobicContact CG-CD1 3.84Å; L36-M93 HydrophobicContact CB-CG 4.33Å; L36-M93 HydrophobicContact CB-SD 4Å; L36-M93 HydrophobicContact CD1-SD 3.93Å; L36-V94 PolarHBondContact N-O 3.27Å; L36-M95 HydrophobicContact CB-CG 4.35Å; L36-M95 HydrophobicContact CD1-CE 4.39Å; L36-M95 HydrophobicContact CD2-CB 4.49Å; L36-M95 HydrophobicContact CD2-CE 3.88Å; L36-M95 HydrophobicContact CD2-CG 4.24Å; L36-M95 WeakPolarHBondContact O-CA 3.34Å; L36-F96 PolarHBondContact O-N 2.75Å; L36-I106 HydrophobicContact CD1-CG2 4.38Å; L36-I106 HydrophobicContact CD2-CD1 4.18Å; L36-W122 HydrophobicContact CD1-CZ3 4.35Å
37L85.7Confident81Confident10 Ų1055.1 Ų55.15%0.05228%0.276CS..EExtended strand (participates in β ladder)trans-109.5114.9-178.6-52.8-172.5000109.9I44 V62 I63 I65 F96L37-I44 HydrophobicContact CD1-CD1 3.96Å; L37-I44 HydrophobicContact CD2-CD1 4.24Å; L37-I44 HydrophobicContact CD2-CG2 3.98Å; L37-V62 HydrophobicContact CD1-CG1 4.01Å; L37-V62 HydrophobicContact CG-CG1 4.2Å; L37-I63 PolarHBondContact N-O 3.18Å; L37-I65 PolarHBondContact O-N 3.04Å; L37-F96 WeakPolarHBondContact CA-O 3.37Å; L37-F96 HydrophobicContact CD2-CB 3.78Å; L37-F96 HydrophobicContact CD2-CD2 4.32Å; L37-F96 HydrophobicContact CD2-CG 4.5Å
38C79.3Confident81.3Confident11 Ų1153.8 Ų53.87%0.07427%0.27CS..SBendtrans-80.4-18.2175.4-65.10000113.5T66 F96 G97 C98C38-T66 WeakPolarHBondContact O-CG2 3.44Å; C38-T66 PolarHBondContact O-OG1 3.08Å; C38-F96 PolarHBondContact N-O 3.29Å; C38-G97 WeakPolarHBondContact CB-O 3.23Å; C38-C98 HydrophobicContact CB-CB 3.74Å; C38-C98 WeakPolarHBondContact CB-SG 3.41Å; C38-C98 WeakPolarHBondContact SG-CB 3.42Å; C38-C98 CovalentContact SG-SG 2.03Å; C38-C98 PolarHBondContact SG-SG 2.78Å
39Q76.1Confident81.7Confident84 Ų8457.4 Ų57.439%0.39329%0.289SS..SBendtrans-129.2139176.2-70177.533.800110.1W42 T66 G97Q39-W42 HydrophobicContact CB-CB 4.33Å; Q39-T66 WeakPolarHBondContact CA-OG1 3.33Å; Q39-G97 WeakPolarHBondContact CG-O 3.44Å; Q39-G97 PolarHBondContact NE2-O 2.84Å
40E67.9Low82Confident116 Ų11654.9 Ų54.954%0.54228%0.276SS..THydrogen-bonded Turntrans-78.9-30.5-170.6-167.3163.1-169.700113.1T66E40-T66 PolarHBondContact N-OG1 3.45Å
41D68.8Low82Confident165 Ų16553.5 Ų53.588%0.88227%0.271SS*.THydrogen-bonded Turntrans-89.611176.8-67.1-51000113.6N43D41-N43 PolarHBondContact O-N 3.03Å
42W77.5Confident82.1Confident104 Ų10459.1 Ų59.139%0.39430%0.299SS..  trans-72.8125.9-175.1-160.4-101.9000112.3Q39 I44 D126Q39-W42 HydrophobicContact CB-CB 4.33Å; W42-I44 PolarHBondContact O-N 3.44Å; W42-D126 WeakPolarHBondContact CZ2-OD1 3.21Å; W42-D126 PolarHBondContact NE1-OD1 3.38Å
43N77.4Confident81.9Confident112 Ų11262.7 Ų62.760%0.59932%0.319SS*.  trans-79.884.6-168.5-17432.1000113.7D41 T45D41-N43 PolarHBondContact O-N 3.03Å; N43-T45 VanDerWaalsContact OD1-CG2 3.31Å; N43-T45 WeakPolarHBondContact OD1-CG2 3.34Å; N43-T45 PolarHBondContact OD1-N 2.91Å; N43-T45 PolarHBondContact OD1-OG1 3.17Å
44I81.6Confident81.4Confident21 Ų2165.4 Ų65.411%0.10833%0.333CS..  trans-88.29.7175.462.9164.7000114.5L35 L37 W42 D46 F47 L48 F96L35-I44 HydrophobicContact CD1-CD1 3.96Å; L37-I44 HydrophobicContact CD1-CD1 3.96Å; L37-I44 HydrophobicContact CD2-CD1 4.24Å; L37-I44 HydrophobicContact CD2-CG2 3.98Å; W42-I44 PolarHBondContact O-N 3.44Å; I44-D46 VanDerWaalsContact C-N 3.31Å; I44-D46 PolarHBondContact O-N 3.19Å; I44-F47 PolarHBondContact O-N 3.28Å; I44-F47 VanDerWaalsContact O-N 3.13Å; I44-L48 HydrophobicContact CD1-CD1 3.78Å; I44-L48 HydrophobicContact CD1-CD2 4.36Å; I44-L48 HydrophobicContact CD1-CG 4.05Å; I44-L48 HydrophobicContact CG1-CD1 3.98Å; I44-L48 HydrophobicContact CG1-CG 4.27Å; I44-L48 PolarHBondContact O-N 2.91Å; I44-F96 HydrophobicContact CG2-CB 4.03Å; I44-F96 HydrophobicContact CG2-CD1 4.27Å; I44-F96 HydrophobicContact CG2-CD2 4.13Å; I44-F96 HydrophobicContact CG2-CG 3.92Å
45T83.3Confident80.8Confident79 Ų7970.9 Ų70.949%0.48537%0.371SS..Hα-helixtrans-59.9-38.3-171.9590000113.5N43 F47 L48 L49N43-T45 VanDerWaalsContact OD1-CG2 3.31Å; N43-T45 WeakPolarHBondContact OD1-CG2 3.34Å; N43-T45 PolarHBondContact OD1-N 2.91Å; N43-T45 PolarHBondContact OD1-OG1 3.17Å; T45-F47 VanDerWaalsContact C-N 3.35Å; T45-L48 PolarHBondContact O-N 3.3Å; T45-L49 VanDerWaalsContact O-CB 3.31Å; T45-L49 WeakPolarHBondContact O-CB 3.49Å; T45-L49 PolarHBondContact O-N 3.08Å
46D81.6Confident80.4Confident86 Ų8676.2 Ų76.246%0.4640%0.395SS..Hα-helixtrans-68.7-36.5-179.5-65.3-18.5000111I44 L49 L50I44-D46 VanDerWaalsContact C-N 3.31Å; I44-D46 PolarHBondContact O-N 3.19Å; D46-L49 PolarHBondContact O-N 2.77Å; D46-L50 WeakPolarHBondContact O-CB 3.2Å; D46-L50 WeakPolarHBondContact O-CG 3.27Å; D46-L50 PolarHBondContact O-N 2.88Å
47F86.6Confident80.3Confident2 Ų277 Ų771%0.00940%0.398CS..Hα-helixtrans-67.2-44175.2-178.2-94.6000112.4A18 T21 V22 L25 F33 L35 I44 T45 L50 T51 F96A18-F47 HydrophobicContact CB-CB 3.6Å; A18-F47 HydrophobicContact CB-CD2 4Å; A18-F47 HydrophobicContact CB-CG 4.3Å; T21-F47 HydrophobicContact CG2-CD2 4.36Å; T21-F47 HydrophobicContact CG2-CE2 3.74Å; V22-F47 HydrophobicContact CG2-CD2 3.75Å; V22-F47 HydrophobicContact CG2-CE2 3.58Å; V22-F47 HydrophobicContact CG2-CZ 4.47Å; L25-F47 HydrophobicContact CD1-CE2 4.24Å; L25-F47 HydrophobicContact CD1-CZ 3.95Å; F33-F47 HydrophobicContact CD2-CE1 4.46Å; F33-F47 AromaticContact CE2-CE1 3.54Å; F33-F47 HydrophobicContact CE2-CE1 3.54Å; F33-F47 AromaticContact CE2-CZ 3.91Å; F33-F47 HydrophobicContact CE2-CZ 3.91Å; F33-F47 AromaticContact CZ-CE1 3.66Å; F33-F47 HydrophobicContact CZ-CE1 3.66Å; F33-F47 AromaticContact CZ-CZ 3.92Å; F33-F47 HydrophobicContact CZ-CZ 3.92Å; L35-F47 HydrophobicContact CD1-CE1 4.42Å; L35-F47 HydrophobicContact CD2-CD1 4.49Å; L35-F47 HydrophobicContact CD2-CE1 3.88Å; I44-F47 PolarHBondContact O-N 3.28Å; I44-F47 VanDerWaalsContact O-N 3.13Å; T45-F47 VanDerWaalsContact C-N 3.35Å; F47-L50 PolarHBondContact O-N 2.96Å; F47-T51 HydrophobicContact CE1-CG2 4.09Å; F47-T51 HydrophobicContact CE2-CG2 4.31Å; F47-T51 HydrophobicContact CZ-CG2 3.95Å; F47-T51 PolarHBondContact O-N 3.05Å; F47-T51 PolarHBondContact O-OG1 3.36Å; F47-F96 HydrophobicContact CB-CZ 4.25Å; F47-F96 HydrophobicContact CD1-CE2 4.13Å; F47-F96 HydrophobicContact CD1-CZ 4.15Å; F47-F96 HydrophobicContact CD2-CE2 4.45Å; F47-F96 AromaticContact CD2-CZ 3.77Å; F47-F96 HydrophobicContact CD2-CZ 3.77Å; F47-F96 HydrophobicContact CE1-CE2 4.3Å; F47-F96 HydrophobicContact CE2-CZ 4.16Å; F47-F96 HydrophobicContact CG-CE2 4.22Å; F47-F96 AromaticContact CG-CZ 3.77Å; F47-F96 HydrophobicContact CG-CZ 3.77Å
48L85.8Confident80.2Confident48 Ų4881.4 Ų81.425%0.25142%0.418SS..Hα-helixtrans-62.9-45.3175-66.5177.5000110.9L35 I44 T45 L50 T51 E52 L59L35-L48 HydrophobicContact CD1-CD2 4.09Å; I44-L48 HydrophobicContact CD1-CD1 3.78Å; I44-L48 HydrophobicContact CD1-CD2 4.36Å; I44-L48 HydrophobicContact CD1-CG 4.05Å; I44-L48 HydrophobicContact CG1-CD1 3.98Å; I44-L48 HydrophobicContact CG1-CG 4.27Å; I44-L48 PolarHBondContact O-N 2.91Å; T45-L48 PolarHBondContact O-N 3.3Å; L48-L50 PolarHBondContact O-N 3.24Å; L48-T51 WeakPolarHBondContact CA-OG1 3.31Å; L48-T51 PolarHBondContact O-N 2.84Å; L48-T51 PolarHBondContact O-OG1 2.89Å; L48-T51 VanDerWaalsContact O-OG1 3.08Å; L48-E52 WeakPolarHBondContact O-CB 3.34Å; L48-E52 WeakPolarHBondContact O-CG 3.44Å; L48-E52 PolarHBondContact O-N 3.06Å; L48-L59 HydrophobicContact CD2-CD2 4.02Å
49L85Confident80.4Confident113 Ų11384.5 Ų84.559%0.59243%0.433SS*.Hα-helixtrans-64.6-38.2178.9-172.3150000112.5T45 D46 T51 N53T45-L49 VanDerWaalsContact O-CB 3.31Å; T45-L49 WeakPolarHBondContact O-CB 3.49Å; T45-L49 PolarHBondContact O-N 3.08Å; D46-L49 PolarHBondContact O-N 2.77Å; L49-T51 VanDerWaalsContact C-N 3.35Å; L49-N53 WeakPolarHBondContact O-CB 3.26Å; L49-N53 PolarHBondContact O-N 2.94Å
50L83.9Confident80.6Confident51 Ų5183.8 Ų83.827%0.26743%0.43SS..Hα-helixtrans-67.1-33175.1-75.6169.4000113A18 V22 D46 F47 L48A18-L50 HydrophobicContact CB-CD1 4.13Å; V22-L50 HydrophobicContact CG2-CB 4.12Å; D46-L50 WeakPolarHBondContact O-CB 3.2Å; D46-L50 WeakPolarHBondContact O-CG 3.27Å; D46-L50 PolarHBondContact O-N 2.88Å; F47-L50 PolarHBondContact O-N 2.96Å; L48-L50 PolarHBondContact O-N 3.24Å
51T84.5Confident81.2Confident9 Ų979.9 Ų79.96%0.05542%0.415CS..Hα-helixtrans-83.5-43.3179.247.50000112.4V22 F33 F47 L48 L49 N53 N54 F57V22-T51 HydrophobicContact CG2-CG2 3.88Å; F33-T51 HydrophobicContact CE1-CG2 4.05Å; F33-T51 HydrophobicContact CZ-CG2 3.95Å; F47-T51 HydrophobicContact CE1-CG2 4.09Å; F47-T51 HydrophobicContact CE2-CG2 4.31Å; F47-T51 HydrophobicContact CZ-CG2 3.95Å; F47-T51 PolarHBondContact O-N 3.05Å; F47-T51 PolarHBondContact O-OG1 3.36Å; L48-T51 WeakPolarHBondContact CA-OG1 3.31Å; L48-T51 PolarHBondContact O-N 2.84Å; L48-T51 PolarHBondContact O-OG1 2.89Å; L48-T51 VanDerWaalsContact O-OG1 3.08Å; L49-T51 VanDerWaalsContact C-N 3.35Å; T51-N53 VanDerWaalsContact C-N 3.31Å; T51-N53 PolarHBondContact O-N 3.08Å; T51-N54 PolarHBondContact O-N 3.46Å; T51-N54 VanDerWaalsContact O-N 3.1Å; T51-F57 HydrophobicContact CG2-CB 4.4Å; T51-F57 HydrophobicContact CG2-CD1 4.36Å; T51-F57 HydrophobicContact CG2-CD2 4.1Å; T51-F57 HydrophobicContact CG2-CE2 4.46Å; T51-F57 HydrophobicContact CG2-CG 4.04Å
52E83Confident81.9Confident163 Ų16375.3 Ų75.376%0.76239%0.393SS*.Hα-helixtrans-58.9-38.3174-75.5-173.1166.300112.9L48 N54L48-E52 WeakPolarHBondContact O-CB 3.34Å; L48-E52 WeakPolarHBondContact O-CG 3.44Å; L48-E52 PolarHBondContact O-N 3.06Å; E52-N54 PolarHBondContact O-N 2.81Å
53N82.1Confident82Confident141 Ų14170.6 Ų70.675%0.75438%0.376SS*.THydrogen-bonded Turntrans-71-5.4179.1-171.845.7000113.6L49 T51L49-N53 WeakPolarHBondContact O-CB 3.26Å; L49-N53 PolarHBondContact O-N 2.94Å; T51-N53 VanDerWaalsContact C-N 3.31Å; T51-N53 PolarHBondContact O-N 3.08Å
54N77.2Confident82.2Confident57 Ų5767.9 Ų67.931%0.30536%0.361SS..SBendtrans-126.195.4-178.7-179.72.2000110.6T51 E52 K56 F57T51-N54 PolarHBondContact O-N 3.46Å; T51-N54 VanDerWaalsContact O-N 3.1Å; E52-N54 PolarHBondContact O-N 2.81Å; N54-K56 PolarHBondContact O-N 3.46Å; N54-F57 HydrophobicContact CB-CD2 4.08Å; N54-F57 PolarHBondContact O-N 3.13Å
55S75.4Confident81.7Confident115 Ų11567.6 Ų67.680%0.80436%0.36SS*.THydrogen-bonded Turntrans-57.6-0.2-170.360.50000117.6
56K80.1Confident80.8Confident112 Ų11266.6 Ų66.649%0.48735%0.353SS..THydrogen-bonded Turntrans-78.4-30.3167.7-66.5-170.6175.5-173.40113.3Y31 N54Y31-K56 WeakPolarHBondContact CB-O 3.45Å; Y31-K56 HydrophobicContact CD1-CB 3.63Å; Y31-K56 HydrophobicContact CD1-CD 4.05Å; Y31-K56 HydrophobicContact CE1-CB 3.9Å; Y31-K56 HydrophobicContact CE1-CD 3.44Å; Y31-K56 VanDerWaalsContact CE1-CD 3.44Å; Y31-K56 HydrophobicContact CE1-CG 4.37Å; Y31-K56 HydrophobicContact CE2-CD 4.25Å; Y31-K56 HydrophobicContact CG-CB 4.15Å; Y31-K56 PolarHBondContact OH-NZ 3.04Å; Y31-K56 VanDerWaalsContact OH-NZ 3.08Å; N54-K56 PolarHBondContact O-N 3.46Å
57F83.8Confident79.5Confident18 Ų1865.4 Ų65.48%0.07936%0.356CS..  trans-78.1139.5-171-81.9-69000112.8V22 L25 T26 Y31 F33 T51 N54V22-F57 HydrophobicContact CG1-CE2 3.92Å; V22-F57 HydrophobicContact CG1-CZ 4.16Å; L25-F57 HydrophobicContact CB-CE1 3.78Å; L25-F57 HydrophobicContact CB-CZ 3.94Å; L25-F57 HydrophobicContact CD1-CE1 4.04Å; T26-F57 HydrophobicContact CG2-CE2 3.63Å; T26-F57 HydrophobicContact CG2-CZ 3.53Å; Y31-F57 HydrophobicContact CD1-CD1 4.28Å; Y31-F57 HydrophobicContact CD1-CE1 4.09Å; Y31-F57 HydrophobicContact CD1-CZ 4.25Å; Y31-F57 WeakPolarHBondContact O-CA 3.36Å; Y31-F57 WeakPolarHBondContact O-CD1 3.38Å; F33-F57 AromaticContact CD1-CD1 3.95Å; F33-F57 HydrophobicContact CD1-CD1 3.95Å; F33-F57 HydrophobicContact CD1-CE1 4.45Å; F33-F57 HydrophobicContact CE1-CB 4.29Å; F33-F57 AromaticContact CE1-CD1 3.66Å; F33-F57 HydrophobicContact CE1-CD1 3.66Å; F33-F57 HydrophobicContact CE1-CE1 4.37Å; F33-F57 HydrophobicContact CE1-CG 4.29Å; T51-F57 HydrophobicContact CG2-CB 4.4Å; T51-F57 HydrophobicContact CG2-CD1 4.36Å; T51-F57 HydrophobicContact CG2-CD2 4.1Å; T51-F57 HydrophobicContact CG2-CE2 4.46Å; T51-F57 HydrophobicContact CG2-CG 4.04Å; N54-F57 HydrophobicContact CB-CD2 4.08Å; N54-F57 PolarHBondContact O-N 3.13Å
58H83.1Confident77.9Confident102 Ų10271.3 Ų71.347%0.47239%0.387SS..EExtended strand (participates in β ladder)trans-132.2107.9-179.7-62.7-28.2000109.7Y31 N32 F33Y31-H58 PolarHBondContact O-N 3.26Å; N32-H58 WeakPolarHBondContact CA-O 3.27Å; F33-H58 PolarHBondContact N-O 3.47Å; F33-H58 VanDerWaalsContact N-O 3.08Å
59L84.8Confident76.3Confident76 Ų7673.5 Ų73.540%0.39840%0.399SS..EExtended strand (participates in β ladder)trans-82.4115.417117359.9000108.9F33 L35 L48 S61 V62F33-L59 HydrophobicContact CD2-CD1 4.18Å; F33-L59 HydrophobicContact CE2-CB 4.41Å; F33-L59 HydrophobicContact CE2-CD1 3.72Å; F33-L59 HydrophobicContact CZ-CB 4.28Å; F33-L59 HydrophobicContact CZ-CD1 4.41Å; L35-L59 HydrophobicContact CB-CD1 4.44Å; L35-L59 HydrophobicContact CD1-CD1 4.06Å; L35-L59 HydrophobicContact CG-CD1 3.78Å; L48-L59 HydrophobicContact CD2-CD2 4.02Å; L59-S61 WeakPolarHBondContact CD1-O 3.45Å; L59-V62 HydrophobicContact CD1-CG2 4.04Å; L59-V62 HydrophobicContact CD2-CG2 3.91Å; L59-V62 HydrophobicContact CG-CG2 4.31Å
60E80.3Confident74.8Confident70 Ų7074.1 Ų74.133%0.32741%0.413SS..EExtended strand (participates in β ladder)trans-90.9-42.1-178.9-70.9-177.6-169.700113.3N32 F33 S89 T90N32-E60 PolarHBondContact ND2-OE1 2.94Å; F33-E60 PolarHBondContact O-N 2.94Å; E60-S89 VanDerWaalsContact OE2-C 3.3Å; E60-S89 WeakPolarHBondContact OE2-CB 3.28Å; E60-S89 PolarHBondContact OE2-OG 3.41Å; E60-T90 HydrophobicContact CB-CG2 4.43Å; E60-T90 HydrophobicContact CG-CG2 4.2Å; E60-T90 WeakPolarHBondContact OE2-CB 3.49Å; E60-T90 WeakPolarHBondContact OE2-CG2 3.32Å; E60-T90 PolarHBondContact OE2-N 3.07Å; E60-T90 PolarHBondContact OE2-OG1 3.38Å
61S79.8Confident73.6Confident33 Ų3373.8 Ų73.823%0.23142%0.415CS..EExtended strand (participates in β ladder)trans-151.4155.8-179.168.90000112.7S34 L35 L59S34-S61 WeakPolarHBondContact CA-O 3.3Å; S34-S61 WeakPolarHBondContact CB-OG 3.34Å; S34-S61 PolarHBondContact OG-N 2.87Å; S34-S61 PolarHBondContact OG-OG 2.86Å; L35-S61 PolarHBondContact N-O 3.02Å; L59-S61 WeakPolarHBondContact CD1-O 3.45Å
62V83.6Confident72.4Confident70 Ų7077.8 Ų77.842%0.42444%0.439SS..EExtended strand (participates in β ladder)trans-129.1121.9173.8-174.20000107.8L35 L37 L59L35-V62 HydrophobicContact CB-CB 4.48Å; L35-V62 HydrophobicContact CB-CG1 4.2Å; L35-V62 HydrophobicContact CB-CG2 4.27Å; L35-V62 HydrophobicContact CD1-CG2 4.33Å; L35-V62 CarbonylContact O-C 3.54Å; L35-V62 WeakPolarHBondContact O-CA 3.29Å; L37-V62 HydrophobicContact CD1-CG1 4.01Å; L37-V62 HydrophobicContact CG-CG1 4.2Å; L59-V62 HydrophobicContact CD1-CG2 4.04Å; L59-V62 HydrophobicContact CD2-CG2 3.91Å; L59-V62 HydrophobicContact CG-CG2 4.31Å
63I80.2Confident71.4Confident5 Ų577.7 Ų77.73%0.02644%0.436CS..EExtended strand (participates in β ladder)trans-110.2107.9-178.1-49.5171.6000109L35 L37 I65 F78 Q82 M83 I86 M93L35-I63 PolarHBondContact O-N 3.24Å; L37-I63 PolarHBondContact N-O 3.18Å; I63-I65 HydrophobicContact CG2-CG1 4.38Å; I63-F78 HydrophobicContact CG2-CE1 4.04Å; I63-F78 HydrophobicContact CG2-CZ 4.48Å; I63-Q82 HydrophobicContact CD1-CB 4.21Å; I63-Q82 HydrophobicContact CG2-CG 4.49Å; I63-M83 HydrophobicContact CD1-CE 3.34Å; I63-I86 HydrophobicContact CD1-CD1 3.51Å; I63-I86 HydrophobicContact CG1-CD1 4.26Å; I63-M93 HydrophobicContact CD1-CE 4.18Å
64N80.1Confident70.4Confident54 Ų5475.4 Ų75.429%0.28942%0.424SS..EExtended strand (participates in β ladder)trans-88.7118.4170.8-67.918.6000108.9
65I71.9Confident69.7Low16 Ų1673.7 Ų73.78%0.08242%0.415CS..  trans-84.2-41.8-178.1-71.1-179.7000111.4L36 L37 I63 A67 L69 L75 L79 I106L36-I65 HydrophobicContact CD1-CD1 4.13Å; L36-I65 HydrophobicContact CD2-CD1 3.57Å; L36-I65 HydrophobicContact CD2-CG1 4.49Å; L36-I65 HydrophobicContact CG-CD1 3.84Å; L37-I65 PolarHBondContact O-N 3.04Å; I63-I65 HydrophobicContact CG2-CG1 4.38Å; I65-A67 VanDerWaalsContact C-N 3.29Å; I65-A67 PolarHBondContact O-N 2.81Å; I65-A67 VanDerWaalsContact O-N 3.15Å; I65-L69 HydrophobicContact CG2-CD1 3.74Å; I65-L69 WeakPolarHBondContact O-CD1 3.39Å; I65-L75 HydrophobicContact CG2-CD1 3.98Å; I65-L79 HydrophobicContact CD1-CD2 4.18Å; I65-L79 HydrophobicContact CG1-CD2 4.26Å; I65-I106 HydrophobicContact CD1-CD1 3.76Å; I65-I106 HydrophobicContact CD1-CG1 4.31Å
66T64.4Low69.1Low57 Ų5770.6 Ų70.635%0.3539%0.389SS..G310 helixtrans-55.8-34.4-170.840000115.5C38 Q39 E40 N68C38-T66 WeakPolarHBondContact O-CG2 3.44Å; C38-T66 PolarHBondContact O-OG1 3.08Å; Q39-T66 WeakPolarHBondContact CA-OG1 3.33Å; E40-T66 PolarHBondContact N-OG1 3.45Å; T66-N68 PolarHBondContact O-N 3.02Å
67A53.5Low68.4Low62 Ų6268.2 Ų68.251%0.51239%0.387SS..G310 helixtrans-66.8-3.5-164.200000115.6I65I65-A67 VanDerWaalsContact C-N 3.29Å; I65-A67 PolarHBondContact O-N 2.81Å; I65-A67 VanDerWaalsContact O-N 3.15Å
68N53.3Low67.8Low125 Ų12570.5 Ų70.567%0.66840%0.396SS*.G310 helixtrans-145.317.4-172.4-127.2-11.9000116.2T66 S70T66-N68 PolarHBondContact O-N 3.02Å; N68-S70 PolarHBondContact O-N 3.37Å
69L52.7Low67.1Low94 Ų9466.3 Ų66.349%0.49238%0.377SS..  trans-86.9105.3-179.9-73.3113.5000113.9I65 L75I65-L69 HydrophobicContact CG2-CD1 3.74Å; I65-L69 WeakPolarHBondContact O-CD1 3.39Å; L69-L75 HydrophobicContact CD1-CD1 4.47Å; L69-L75 HydrophobicContact CD2-CB 4.4Å; L69-L75 HydrophobicContact CD2-CD1 4.07Å; L69-L75 HydrophobicContact CD2-CD2 3.88Å; L69-L75 HydrophobicContact CD2-CG 4.33Å; L69-L75 HydrophobicContact CG-CD1 4.27Å
70S52.9Low66.3Low126 Ų12666.7 Ų66.788%0.88138%0.377SS*.SBendtrans-130.8-3.7155.459.30000113.8N68N68-S70 PolarHBondContact O-N 3.37Å
71S59.2Low65.9Low44 Ų4467.6 Ų67.631%0.30839%0.388SS..  trans-155.9136.8-176152.80000110.3K73 D74 L75S71-K73 VanDerWaalsContact C-N 3.27Å; S71-K73 PolarHBondContact O-N 2.95Å; S71-K73 PolarHBondContact OG-N 3.37Å; S71-D74 WeakPolarHBondContact CB-OD2 3.16Å; S71-D74 PolarHBondContact O-N 3.3Å; S71-D74 PolarHBondContact OG-OD2 3.04Å; S71-L75 PolarHBondContact O-N 3.19Å
72T59.5Low65.4Low93 Ų9369 Ų6957%0.57139%0.39SS*.Hα-helixtrans-70.1-21.6-177.451.10000113.5L76T72-L76 WeakPolarHBondContact O-CD1 3.24Å; T72-L76 WeakPolarHBondContact O-CG 3.13Å; T72-L76 PolarHBondContact O-N 2.88Å
73K60.8Low64.7Low161 Ų16166.4 Ų66.470%0.737%0.374SS*.Hα-helixtrans-76.6-33.6178.1-71.8-174.4174.7-177.20113S71 L76 S77S71-K73 VanDerWaalsContact C-N 3.27Å; S71-K73 PolarHBondContact O-N 2.95Å; S71-K73 PolarHBondContact OG-N 3.37Å; K73-L76 PolarHBondContact O-N 2.89Å; K73-S77 PolarHBondContact O-N 2.89Å
74D61.3Low64.2Low94 Ų9470.2 Ų70.250%0.50339%0.394SS..Hα-helixtrans-78.4-33.7-178.7-54.6-69.7000110.3S71 S77 F78S71-D74 WeakPolarHBondContact CB-OD2 3.16Å; S71-D74 PolarHBondContact O-N 3.3Å; S71-D74 PolarHBondContact OG-OD2 3.04Å; D74-S77 PolarHBondContact O-OG 3.05Å; D74-S77 VanDerWaalsContact O-OG 3.11Å; D74-F78 WeakPolarHBondContact O-CB 3.4Å; D74-F78 PolarHBondContact O-N 2.99Å
75L63.2Low63.7Low21 Ų2172.6 Ų72.611%0.1141%0.407CS..Hα-helixtrans-57.3-49.2165.3179.771000111.9I65 L69 S71 S77 F78 L79 M109I65-L75 HydrophobicContact CG2-CD1 3.98Å; L69-L75 HydrophobicContact CD1-CD1 4.47Å; L69-L75 HydrophobicContact CD2-CB 4.4Å; L69-L75 HydrophobicContact CD2-CD1 4.07Å; L69-L75 HydrophobicContact CD2-CD2 3.88Å; L69-L75 HydrophobicContact CD2-CG 4.33Å; L69-L75 HydrophobicContact CG-CD1 4.27Å; S71-L75 PolarHBondContact O-N 3.19Å; L75-S77 PolarHBondContact O-N 3.44Å; L75-F78 PolarHBondContact O-N 2.81Å; L75-L79 HydrophobicContact CD1-CD1 3.93Å; L75-L79 HydrophobicContact CD1-CG 4.04Å; L75-L79 HydrophobicContact CD2-CD1 4.38Å; L75-L79 HydrophobicContact CG-CD1 3.87Å; L75-L79 HydrophobicContact CG-CG 4.29Å; L75-L79 WeakPolarHBondContact O-CB 3.48Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 2.8Å; L75-M109 HydrophobicContact CD2-CE 4.06Å; L75-M109 HydrophobicContact CD2-SD 4.04Å
76L62.7Low63.5Low49 Ų4972.1 Ų72.126%0.25740%0.404SS..Hα-helixtrans-57.9-45.3-179.4-80.3164.5000112T72 K73 Q80 M109 F113T72-L76 WeakPolarHBondContact O-CD1 3.24Å; T72-L76 WeakPolarHBondContact O-CG 3.13Å; T72-L76 PolarHBondContact O-N 2.88Å; K73-L76 PolarHBondContact O-N 2.89Å; L76-Q80 WeakPolarHBondContact O-CB 3.41Å; L76-Q80 PolarHBondContact O-N 2.9Å; L76-M109 HydrophobicContact CD2-CB 4.16Å; L76-M109 HydrophobicContact CD2-CG 3.71Å; L76-M109 HydrophobicContact CD2-SD 3.61Å; L76-M109 HydrophobicContact CG-SD 4.11Å; L76-F113 HydrophobicContact CD2-CE2 3.75Å; L76-F113 HydrophobicContact CD2-CZ 4.02Å
77S65.3Low63.4Low63 Ų6374.7 Ų74.744%0.44141%0.408SS..Hα-helixtrans-70.9-36.1179.466.10000112.9K73 D74 L75 V81K73-S77 PolarHBondContact O-N 2.89Å; D74-S77 PolarHBondContact O-OG 3.05Å; D74-S77 VanDerWaalsContact O-OG 3.11Å; L75-S77 PolarHBondContact O-N 3.44Å; S77-V81 WeakPolarHBondContact O-CG2 3.45Å; S77-V81 PolarHBondContact O-N 2.62Å
78F71.6Confident63.8Low65 Ų6578.8 Ų78.829%0.28542%0.421SS..Hα-helixtrans-64.2-50173.8176.5-102.8000111.9I63 D74 L75 Q80 V81 Q82I63-F78 HydrophobicContact CG2-CE1 4.04Å; I63-F78 HydrophobicContact CG2-CZ 4.48Å; D74-F78 WeakPolarHBondContact O-CB 3.4Å; D74-F78 PolarHBondContact O-N 2.99Å; L75-F78 PolarHBondContact O-N 2.81Å; F78-Q80 PolarHBondContact O-N 3.32Å; F78-V81 PolarHBondContact O-N 3.09Å; F78-Q82 HydrophobicContact CE1-CG 4.3Å; F78-Q82 HydrophobicContact CE2-CG 4.24Å; F78-Q82 HydrophobicContact CZ-CG 4.08Å; F78-Q82 WeakPolarHBondContact O-CG 3.41Å; F78-Q82 PolarHBondContact O-N 2.94Å; F78-Q82 VanDerWaalsContact O-N 3.17Å
79L68.4Low64.1Low14 Ų1475.9 Ų75.97%0.07341%0.411CS..Hα-helixtrans-61.4-43.3178-72.1178.6000111.4I65 L75 V81 Q82 M83 M109I65-L79 HydrophobicContact CD1-CD2 4.18Å; I65-L79 HydrophobicContact CG1-CD2 4.26Å; L75-L79 HydrophobicContact CD1-CD1 3.93Å; L75-L79 HydrophobicContact CD1-CG 4.04Å; L75-L79 HydrophobicContact CD2-CD1 4.38Å; L75-L79 HydrophobicContact CG-CD1 3.87Å; L75-L79 HydrophobicContact CG-CG 4.29Å; L75-L79 WeakPolarHBondContact O-CB 3.48Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 2.8Å; L79-V81 PolarHBondContact O-N 2.73Å; L79-Q82 PolarHBondContact O-N 3.03Å; L79-M83 WeakPolarHBondContact O-CB 3.43Å; L79-M83 WeakPolarHBondContact O-CG 3.21Å; L79-M83 PolarHBondContact O-N 2.84Å; L79-M109 HydrophobicContact CD1-SD 4.3Å
80Q68Low64.6Low85 Ų8571.8 Ų71.840%0.39739%0.389SS..Hα-helixtrans-55.3-49177.3-174.3-178.9-6.600111.8L76 F78 Q82 M83 D84L76-Q80 WeakPolarHBondContact O-CB 3.41Å; L76-Q80 PolarHBondContact O-N 2.9Å; F78-Q80 PolarHBondContact O-N 3.32Å; Q80-Q82 PolarHBondContact O-N 2.82Å; Q80-M83 PolarHBondContact O-N 3.47Å; Q80-D84 PolarHBondContact O-N 2.9Å
81V71.1Confident65.5Low89 Ų8968.7 Ų68.754%0.53937%0.366SS..Hα-helixtrans-64.5-37.3-179.2171.80000112.5S77 F78 L79 N85S77-V81 WeakPolarHBondContact O-CG2 3.45Å; S77-V81 PolarHBondContact O-N 2.62Å; F78-V81 PolarHBondContact O-N 3.09Å; L79-V81 PolarHBondContact O-N 2.73Å; V81-N85 PolarHBondContact O-ND2 2.93Å; V81-N85 VanDerWaalsContact O-ND2 3.09Å
82Q70.7Confident66.7Low62 Ų6266.6 Ų66.629%0.2935%0.352SS..Hα-helixtrans-73.3-39.7176.9-60-56.6-17.500112.2I63 F78 L79 Q80 N85 I86I63-Q82 HydrophobicContact CD1-CB 4.21Å; I63-Q82 HydrophobicContact CG2-CG 4.49Å; F78-Q82 HydrophobicContact CE1-CG 4.3Å; F78-Q82 HydrophobicContact CE2-CG 4.24Å; F78-Q82 HydrophobicContact CZ-CG 4.08Å; F78-Q82 WeakPolarHBondContact O-CG 3.41Å; F78-Q82 PolarHBondContact O-N 2.94Å; F78-Q82 VanDerWaalsContact O-N 3.17Å; L79-Q82 PolarHBondContact O-N 3.03Å; Q80-Q82 PolarHBondContact O-N 2.82Å; Q82-N85 PolarHBondContact O-N 2.84Å; Q82-I86 WeakPolarHBondContact O-CD1 3.41Å; Q82-I86 WeakPolarHBondContact O-CG1 3.43Å; Q82-I86 PolarHBondContact O-N 2.78Å
83M68.9Low67.9Low16 Ų1662.2 Ų62.28%0.07933%0.325CS..Hα-helixtrans-69.2-38.6-179.6-66.8-69.4108.200112.9I63 L79 Q80 N85 I86 R87 M93 L115I63-M83 HydrophobicContact CD1-CE 3.34Å; L79-M83 WeakPolarHBondContact O-CB 3.43Å; L79-M83 WeakPolarHBondContact O-CG 3.21Å; L79-M83 PolarHBondContact O-N 2.84Å; Q80-M83 PolarHBondContact O-N 3.47Å; M83-N85 VanDerWaalsContact C-N 3.26Å; M83-N85 PolarHBondContact O-N 2.82Å; M83-I86 HydrophobicContact CE-CD1 3.96Å; M83-I86 PolarHBondContact O-N 3.17Å; M83-I86 VanDerWaalsContact O-N 3.16Å; M83-R87 PolarHBondContact O-N 3.36Å; M83-M93 HydrophobicContact CE-SD 4.12Å; M83-L115 HydrophobicContact CB-CD1 3.5Å; M83-L115 VanDerWaalsContact CB-CD1 3.5Å; M83-L115 HydrophobicContact CG-CD1 3.8Å; M83-L115 HydrophobicContact SD-CD1 4.26Å
84D68.8Low69.3Low85 Ų8554.5 Ų54.546%0.45529%0.291SS..Hα-helixtrans-62.6-32.1176-86.6-31000112.3Q80 N88Q80-D84 PolarHBondContact O-N 2.9Å; D84-N88 PolarHBondContact O-ND2 3.33Å
85N69.1Low70.5Confident103 Ų10350.1 Ų50.155%0.55127%0.268SS*.Hα-helixtrans-67.2-47.7171.5-69.3-35.7000111.3V81 Q82 M83 R87 N88V81-N85 PolarHBondContact O-ND2 2.93Å; V81-N85 VanDerWaalsContact O-ND2 3.09Å; Q82-N85 PolarHBondContact O-N 2.84Å; M83-N85 VanDerWaalsContact C-N 3.26Å; M83-N85 PolarHBondContact O-N 2.82Å; N85-R87 PolarHBondContact O-N 2.91Å; N85-N88 PolarHBondContact O-N 3.48Å
86I67.8Low71.7Confident6 Ų649.5 Ų49.53%0.03126%0.264CS..Hα-helixtrans-68.9-33.5-174.3-74.5161.7000112.8I63 Q82 M83 N88 S89 T90 M93 L120I63-I86 HydrophobicContact CD1-CD1 3.51Å; I63-I86 HydrophobicContact CG1-CD1 4.26Å; Q82-I86 WeakPolarHBondContact O-CD1 3.41Å; Q82-I86 WeakPolarHBondContact O-CG1 3.43Å; Q82-I86 PolarHBondContact O-N 2.78Å; M83-I86 HydrophobicContact CE-CD1 3.96Å; M83-I86 PolarHBondContact O-N 3.17Å; M83-I86 VanDerWaalsContact O-N 3.16Å; I86-N88 PolarHBondContact O-N 2.84Å; I86-S89 PolarHBondContact O-N 3.06Å; I86-T90 PolarHBondContact O-N 2.86Å; I86-M93 HydrophobicContact CD1-CE 4.13Å; I86-L120 HydrophobicContact CG2-CD2 4.28Å
87R62.9Low72.5Confident112 Ų11247.3 Ų47.342%0.42325%0.253SS..THydrogen-bonded Turntrans-56.8-17.9179.4-162.7175.4-171.6-166.71.4113.9M83 N85 L115 E119M83-R87 PolarHBondContact O-N 3.36Å; N85-R87 PolarHBondContact O-N 2.91Å; R87-L115 HydrophobicContact CB-CD2 4.36Å; R87-L115 HydrophobicContact CG-CD2 4.22Å; R87-E119 IonicContact CZ-OE1 3.72Å; R87-E119 IonicContact CZ-OE2 3.25Å; R87-E119 IonicContact NE-OE2 2.76Å; R87-E119 PolarHBondContact NE-OE2 3.12Å; R87-E119 IonicContact NH2-OE1 2.8Å; R87-E119 PolarHBondContact NH2-OE1 3.21Å; R87-E119 IonicContact NH2-OE2 2.72Å; R87-E119 PolarHBondContact NH2-OE2 3Å
88N60.7Low73.2Confident147 Ų14744.8 Ų44.879%0.78624%0.235SC*.THydrogen-bonded Turntrans-105-0.1179.1-62.8-76.2000114.1D84 N85 I86D84-N88 PolarHBondContact O-ND2 3.33Å; N85-N88 PolarHBondContact O-N 3.48Å; I86-N88 PolarHBondContact O-N 2.84Å
89S60.9Low73.5Confident65 Ų6545.3 Ų45.346%0.45524%0.241SC..THydrogen-bonded Turntrans-128.1-56-173.681.40000114.5E60 I86E60-S89 VanDerWaalsContact OE2-C 3.3Å; E60-S89 WeakPolarHBondContact OE2-CB 3.28Å; E60-S89 PolarHBondContact OE2-OG 3.41Å; I86-S89 PolarHBondContact O-N 3.06Å
90T63.7Low73.9Confident7 Ų746.6 Ų46.64%0.04325%0.247CC..  trans-110.5133.1-173-1.30000113.4N32 S34 E60 I86 L120N32-T90 HydrophobicContact CB-CG2 4.02Å; S34-T90 PolarHBondContact OG-OG1 2.65Å; E60-T90 HydrophobicContact CB-CG2 4.43Å; E60-T90 HydrophobicContact CG-CG2 4.2Å; E60-T90 WeakPolarHBondContact OE2-CB 3.49Å; E60-T90 WeakPolarHBondContact OE2-CG2 3.32Å; E60-T90 PolarHBondContact OE2-N 3.07Å; E60-T90 PolarHBondContact OE2-OG1 3.38Å; I86-T90 PolarHBondContact O-N 2.86Å; T90-L120 WeakPolarHBondContact O-CD2 3.35Å
91P71.3Confident74.2Confident61 Ų6147 Ų4740%0.39625%0.252SS..SBendtrans-85.5-3.2170.635.7-35.9000113.4L120 H121P91-L120 CarbonylContact O-C 3.55Å; P91-L120 WeakPolarHBondContact O-CA 3.44Å; P91-H121 PolarHBondContact O-CD2 2.88Å; P91-H121 PolarHBondContact O-N 2.98Å
92T83.2Confident74.5Confident0 Ų044.5 Ų44.50%024%0.238CC..EExtended strand (participates in β ladder)trans-134.8128.4-170.6-53.80000112.4L25 W30 F33 S34 H121L25-T92 HydrophobicContact CD2-CG2 3.94Å; W30-T92 HydrophobicContact CB-CG2 4.22Å; W30-T92 HydrophobicContact CD2-CG2 4.29Å; W30-T92 HydrophobicContact CE3-CG2 4Å; W30-T92 HydrophobicContact CG-CG2 4.41Å; F33-T92 WeakPolarHBondContact CA-O 3.47Å; F33-T92 HydrophobicContact CB-CG2 4.3Å; S34-T92 PolarHBondContact N-O 3.18Å; T92-H121 WeakPolarHBondContact CA-O 3.46Å; T92-H121 HydrophobicContact CG2-CB 4.35Å
93M86Confident74.9Confident1 Ų141.6 Ų41.61%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-119.5131.2175.3-178.2127.4-72.800111S34 L36 I63 M83 I86 H121 W122 V123S34-M93 VanDerWaalsContact CB-CE 3.41Å; S34-M93 WeakPolarHBondContact O-CA 3.43Å; L36-M93 HydrophobicContact CB-CG 4.33Å; L36-M93 HydrophobicContact CB-SD 4Å; L36-M93 HydrophobicContact CD1-SD 3.93Å; I63-M93 HydrophobicContact CD1-CE 4.18Å; M83-M93 HydrophobicContact CE-SD 4.12Å; I86-M93 HydrophobicContact CD1-CE 4.13Å; M93-H121 PolarHBondContact N-O 3.43Å; M93-W122 HydrophobicContact CB-CD2 4.23Å; M93-W122 HydrophobicContact CB-CE3 3.92Å; M93-W122 HydrophobicContact CB-CH2 4.46Å; M93-W122 HydrophobicContact CB-CZ3 4.06Å; M93-W122 HydrophobicContact CG-CE3 3.75Å; M93-W122 HydrophobicContact CG-CH2 4.11Å; M93-W122 HydrophobicContact CG-CZ3 3.51Å; M93-W122 HydrophobicContact SD-CH2 3.85Å; M93-W122 HydrophobicContact SD-CZ3 3.75Å; M93-V123 PolarHBondContact O-N 3.02Å
94V88.8Confident75.3Confident0 Ų044.3 Ų44.30%023%0.234CC..EExtended strand (participates in β ladder)trans-114.4128.3174.2-169.50000109.8T21 L25 F33 S34 L35 L36 F96 V123T21-V94 HydrophobicContact CG2-CG1 3.78Å; L25-V94 HydrophobicContact CD1-CG2 4.33Å; L25-V94 HydrophobicContact CD2-CG2 4.2Å; F33-V94 HydrophobicContact CB-CG2 4.45Å; F33-V94 HydrophobicContact CD2-CG2 4.42Å; S34-V94 PolarHBondContact O-N 3.06Å; L35-V94 HydrophobicContact CD2-CB 3.92Å; L36-V94 PolarHBondContact N-O 3.27Å; V94-F96 HydrophobicContact CB-CE2 4.3Å; V94-F96 HydrophobicContact CG1-CD2 4.11Å; V94-F96 HydrophobicContact CG1-CE2 3.5Å; V94-F96 VanDerWaalsContact CG1-CE2 3.5Å; V94-F96 HydrophobicContact CG1-CZ 3.95Å; V94-V123 WeakPolarHBondContact CA-O 3.39Å; V94-V123 HydrophobicContact CG2-CB 4.4Å
95M87.8Confident75.6Confident1 Ų144.1 Ų44.11%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-104.7135.2-177.5-57.9177.972.700111.3L36 I103 I106 F107 W122 V123 L124 G125L36-M95 HydrophobicContact CB-CG 4.35Å; L36-M95 HydrophobicContact CD1-CE 4.39Å; L36-M95 HydrophobicContact CD2-CB 4.49Å; L36-M95 HydrophobicContact CD2-CE 3.88Å; L36-M95 HydrophobicContact CD2-CG 4.24Å; L36-M95 WeakPolarHBondContact O-CA 3.34Å; M95-I103 HydrophobicContact CE-CG1 4.14Å; M95-I106 HydrophobicContact CE-CB 4.44Å; M95-I106 HydrophobicContact CE-CD1 3.76Å; M95-I106 HydrophobicContact CE-CG2 4.14Å; M95-F107 HydrophobicContact SD-CE2 4.33Å; M95-F107 HydrophobicContact SD-CZ 3.98Å; M95-W122 HydrophobicContact CG-CE3 4.19Å; M95-W122 HydrophobicContact CG-CZ3 4.29Å; M95-W122 HydrophobicContact SD-CE3 3.75Å; M95-W122 HydrophobicContact SD-CZ3 3.91Å; M95-V123 PolarHBondContact N-O 3.22Å; M95-L124 HydrophobicContact CB-CD2 4.18Å; M95-L124 HydrophobicContact SD-CD2 4.01Å; M95-G125 WeakPolarHBondContact O-CA 3.45Å; M95-G125 PolarHBondContact O-N 3.39Å
96F87.3Confident76.1Confident9 Ų940 Ų404%0.03921%0.209CC..EExtended strand (participates in β ladder)trans-136.5150.6175.7-68-86.4000112.4T21 L35 L36 L37 C38 I44 F47 V94 C98 G125 D126T21-F96 HydrophobicContact CG2-CZ 4.38Å; L35-F96 HydrophobicContact CD2-CD2 4.12Å; L35-F96 HydrophobicContact CD2-CE2 3.8Å; L36-F96 PolarHBondContact O-N 2.75Å; L37-F96 WeakPolarHBondContact CA-O 3.37Å; L37-F96 HydrophobicContact CD2-CB 3.78Å; L37-F96 HydrophobicContact CD2-CD2 4.32Å; L37-F96 HydrophobicContact CD2-CG 4.5Å; C38-F96 PolarHBondContact N-O 3.29Å; I44-F96 HydrophobicContact CG2-CB 4.03Å; I44-F96 HydrophobicContact CG2-CD1 4.27Å; I44-F96 HydrophobicContact CG2-CD2 4.13Å; I44-F96 HydrophobicContact CG2-CG 3.92Å; F47-F96 HydrophobicContact CB-CZ 4.25Å; F47-F96 HydrophobicContact CD1-CE2 4.13Å; F47-F96 HydrophobicContact CD1-CZ 4.15Å; F47-F96 HydrophobicContact CD2-CE2 4.45Å; F47-F96 AromaticContact CD2-CZ 3.77Å; F47-F96 HydrophobicContact CD2-CZ 3.77Å; F47-F96 HydrophobicContact CE1-CE2 4.3Å; F47-F96 HydrophobicContact CE2-CZ 4.16Å; F47-F96 HydrophobicContact CG-CE2 4.22Å; F47-F96 AromaticContact CG-CZ 3.77Å; F47-F96 HydrophobicContact CG-CZ 3.77Å; V94-F96 HydrophobicContact CB-CE2 4.3Å; V94-F96 HydrophobicContact CG1-CD2 4.11Å; V94-F96 HydrophobicContact CG1-CE2 3.5Å; V94-F96 VanDerWaalsContact CG1-CE2 3.5Å; V94-F96 HydrophobicContact CG1-CZ 3.95Å; F96-C98 VanDerWaalsContact C-N 3.25Å; F96-C98 PolarHBondContact O-N 2.61Å; F96-C98 PolarHBondContact O-SG 3.42Å; F96-C98 VanDerWaalsContact O-SG 3.39Å; F96-G125 VanDerWaalsContact CE1-C 3.45Å; F96-G125 VanDerWaalsContact CE1-O 3.25Å; F96-G125 WeakPolarHBondContact CE1-O 3.5Å; F96-D126 VanDerWaalsContact CA-OD2 3.29Å; F96-D126 WeakPolarHBondContact CA-OD2 3.25Å; F96-D126 WeakPolarHBondContact CD1-OD1 3.44Å
97G80.9Confident76.7Confident2 Ų239.8 Ų39.82%0.02121%0.207CC..SBendtrans70.116.4179.800000114.5C38 Q39 D126C38-G97 WeakPolarHBondContact CB-O 3.23Å; Q39-G97 WeakPolarHBondContact CG-O 3.44Å; Q39-G97 PolarHBondContact NE2-O 2.84Å; G97-D126 PolarHBondContact N-OD2 3.29Å
98C78.9Confident77.2Confident10 Ų1038 Ų387%0.06820%0.204CC..  trans-101.1122.8-170.4-59.40000112C38 F96 I103C38-C98 HydrophobicContact CB-CB 3.74Å; C38-C98 WeakPolarHBondContact CB-SG 3.41Å; C38-C98 WeakPolarHBondContact SG-CB 3.42Å; C38-C98 CovalentContact SG-SG 2.03Å; C38-C98 PolarHBondContact SG-SG 2.78Å; F96-C98 VanDerWaalsContact C-N 3.25Å; F96-C98 PolarHBondContact O-N 2.61Å; F96-C98 PolarHBondContact O-SG 3.42Å; F96-C98 VanDerWaalsContact O-SG 3.39Å; C98-I103 HydrophobicContact CB-CD1 3.97Å; C98-I103 HydrophobicContact CB-CG1 3.58Å
99D77.6Confident77.7Confident76 Ų7632.3 Ų32.341%0.40617%0.173SC..  trans-76.3157168.867.7-80000111.6D101 S102 I103D99-D101 VanDerWaalsContact C-N 3.26Å; D99-D101 PolarHBondContact O-N 3.17Å; D99-D101 WeakPolarHBondContact OD2-CB 3.25Å; D99-D101 PolarHBondContact OD2-N 3.14Å; D99-D101 VanDerWaalsContact OD2-N 3.12Å; D99-S102 PolarHBondContact O-N 3Å; D99-S102 VanDerWaalsContact O-N 3.11Å; D99-S102 WeakPolarHBondContact OD1-CB 3.28Å; D99-S102 PolarHBondContact OD1-OG 3.49Å; D99-S102 PolarHBondContact OD2-N 2.78Å; D99-S102 PolarHBondContact OD2-OG 2.9Å; D99-I103 VanDerWaalsContact O-CG1 3.32Å; D99-I103 WeakPolarHBondContact O-CG1 3.46Å; D99-I103 PolarHBondContact O-N 3.21Å
100M76.9Confident78.1Confident42 Ų4229.7 Ų29.721%0.20715%0.154CC..Hα-helixtrans-61.4-27.4-175-71.6-66.2-69.200114.4I103 R104 L133 L138M100-I103 HydrophobicContact SD-CD1 4.04Å; M100-R104 WeakPolarHBondContact O-CB 3.31Å; M100-R104 PolarHBondContact O-N 2.86Å; M100-L133 HydrophobicContact CE-CD2 4.21Å; M100-L133 HydrophobicContact SD-CD2 4.34Å; M100-L138 HydrophobicContact CE-CD1 3.99Å
101D75.2Confident78.4Confident93 Ų9332.9 Ų32.950%0.49717%0.174SC..Hα-helixtrans-78.8-33.7176.3-95.9-53.8000112.1D99 R104 Q105D99-D101 VanDerWaalsContact C-N 3.26Å; D99-D101 PolarHBondContact O-N 3.17Å; D99-D101 WeakPolarHBondContact OD2-CB 3.25Å; D99-D101 PolarHBondContact OD2-N 3.14Å; D99-D101 VanDerWaalsContact OD2-N 3.12Å; D101-R104 IonicContact OD1-CZ 2.87Å; D101-R104 IonicContact OD1-NE 3.84Å; D101-R104 IonicContact OD1-NH2 2.8Å; D101-R104 PolarHBondContact OD1-NH2 3.33Å; D101-Q105 WeakPolarHBondContact O-CB 3.21Å; D101-Q105 WeakPolarHBondContact O-CG 3.41Å; D101-Q105 PolarHBondContact O-N 3.33Å; D101-Q105 VanDerWaalsContact O-N 3.08Å; D101-Q105 PolarHBondContact O-NE2 3.3Å
102S76.3Confident78.1Confident36 Ų3637 Ų3725%0.25219%0.188SC..Hα-helixtrans-66.9-43.6167.1-65.80000111.8D99 R104 Q105 I106D99-S102 PolarHBondContact O-N 3Å; D99-S102 VanDerWaalsContact O-N 3.11Å; D99-S102 WeakPolarHBondContact OD1-CB 3.28Å; D99-S102 PolarHBondContact OD1-OG 3.49Å; D99-S102 PolarHBondContact OD2-N 2.78Å; D99-S102 PolarHBondContact OD2-OG 2.9Å; S102-R104 VanDerWaalsContact C-N 3.35Å; S102-R104 PolarHBondContact O-N 3.31Å; S102-Q105 PolarHBondContact O-N 2.87Å; S102-I106 WeakPolarHBondContact O-CD1 3.28Å; S102-I106 VanDerWaalsContact O-CG1 3.27Å; S102-I106 WeakPolarHBondContact O-CG1 3.19Å; S102-I106 PolarHBondContact O-N 2.88Å
103I79.7Confident77.2Confident1 Ų140.7 Ų40.71%0.00520%0.204CC..Hα-helixtrans-58-47.5176.3-67.1170000110.2M95 C98 D99 M100 Q105 I106 F107 L124 L138M95-I103 HydrophobicContact CE-CG1 4.14Å; C98-I103 HydrophobicContact CB-CD1 3.97Å; C98-I103 HydrophobicContact CB-CG1 3.58Å; D99-I103 VanDerWaalsContact O-CG1 3.32Å; D99-I103 WeakPolarHBondContact O-CG1 3.46Å; D99-I103 PolarHBondContact O-N 3.21Å; M100-I103 HydrophobicContact SD-CD1 4.04Å; I103-Q105 PolarHBondContact O-N 3.45Å; I103-I106 PolarHBondContact O-N 3Å; I103-F107 HydrophobicContact CG2-CD2 3.66Å; I103-F107 HydrophobicContact CG2-CE2 3.48Å; I103-F107 VanDerWaalsContact CG2-CE2 3.48Å; I103-F107 VanDerWaalsContact O-CD2 3.25Å; I103-F107 WeakPolarHBondContact O-CD2 3.46Å; I103-F107 PolarHBondContact O-N 2.93Å; I103-L124 HydrophobicContact CD1-CD1 4.28Å; I103-L124 HydrophobicContact CD1-CD2 3.98Å; I103-L138 HydrophobicContact CG2-CD2 3.74Å
104R78Confident75.9Confident73 Ų7342.2 Ų42.228%0.27522%0.22SC..Hα-helixtrans-60.3-44.8175.8-174.6-178.858.173.310112M100 D101 S102 I106 F107 E108M100-R104 WeakPolarHBondContact O-CB 3.31Å; M100-R104 PolarHBondContact O-N 2.86Å; D101-R104 IonicContact OD1-CZ 2.87Å; D101-R104 IonicContact OD1-NE 3.84Å; D101-R104 IonicContact OD1-NH2 2.8Å; D101-R104 PolarHBondContact OD1-NH2 3.33Å; S102-R104 VanDerWaalsContact C-N 3.35Å; S102-R104 PolarHBondContact O-N 3.31Å; R104-I106 PolarHBondContact O-N 3.44Å; R104-F107 PolarHBondContact O-N 3.47Å; R104-E108 WeakPolarHBondContact CD-OE1 3.26Å; R104-E108 HydrophobicContact CG-CG 4.33Å; R104-E108 WeakPolarHBondContact CG-OE1 3.43Å; R104-E108 IonicContact CZ-OE1 3.51Å; R104-E108 IonicContact NH1-OE1 2.85Å; R104-E108 PolarHBondContact NH1-OE1 2.97Å; R104-E108 IonicContact NH1-OE2 3.89Å; R104-E108 PolarHBondContact NH1-OE2 3.3Å; R104-E108 WeakPolarHBondContact O-CB 3.36Å; R104-E108 WeakPolarHBondContact O-CG 3.42Å; R104-E108 PolarHBondContact O-N 2.98Å
105Q75.6Confident74.6Confident81 Ų8142.6 Ų42.638%0.37922%0.222SC..Hα-helixtrans-62.2-41.4176.9-78.1170.88300112.6D101 S102 I103 F107 E108 M109D101-Q105 WeakPolarHBondContact O-CB 3.21Å; D101-Q105 WeakPolarHBondContact O-CG 3.41Å; D101-Q105 PolarHBondContact O-N 3.33Å; D101-Q105 VanDerWaalsContact O-N 3.08Å; D101-Q105 PolarHBondContact O-NE2 3.3Å; S102-Q105 PolarHBondContact O-N 2.87Å; I103-Q105 PolarHBondContact O-N 3.45Å; Q105-F107 VanDerWaalsContact C-N 3.34Å; Q105-F107 PolarHBondContact O-N 3.04Å; Q105-E108 PolarHBondContact O-N 3.2Å; Q105-M109 HydrophobicContact CB-CE 4.47Å; Q105-M109 VanDerWaalsContact O-CG 3.25Å; Q105-M109 WeakPolarHBondContact O-CG 3.25Å; Q105-M109 PolarHBondContact O-N 2.93Å
106I78.1Confident73.1Confident17 Ų1744.9 Ų44.99%0.08724%0.238CC..Hα-helixtrans-61.9-42.3177.1-70.1161.1000110.6L36 I65 M95 S102 I103 R104 M109 S110L36-I106 HydrophobicContact CD1-CG2 4.38Å; L36-I106 HydrophobicContact CD2-CD1 4.18Å; I65-I106 HydrophobicContact CD1-CD1 3.76Å; I65-I106 HydrophobicContact CD1-CG1 4.31Å; M95-I106 HydrophobicContact CE-CB 4.44Å; M95-I106 HydrophobicContact CE-CD1 3.76Å; M95-I106 HydrophobicContact CE-CG2 4.14Å; S102-I106 WeakPolarHBondContact O-CD1 3.28Å; S102-I106 VanDerWaalsContact O-CG1 3.27Å; S102-I106 WeakPolarHBondContact O-CG1 3.19Å; S102-I106 PolarHBondContact O-N 2.88Å; I103-I106 PolarHBondContact O-N 3Å; R104-I106 PolarHBondContact O-N 3.44Å; I106-M109 PolarHBondContact O-N 3.12Å; I106-S110 WeakPolarHBondContact O-CB 3.3Å; I106-S110 PolarHBondContact O-N 3.2Å
107F80.2Confident71.5Confident1 Ų146.5 Ų46.50%0.00425%0.25CC..Hα-helixtrans-74.8-36177.3-71.3-52.7000114.1M95 I103 R104 Q105 M109 S110 T111 W122 G137 L138 P139 L142M95-F107 HydrophobicContact SD-CE2 4.33Å; M95-F107 HydrophobicContact SD-CZ 3.98Å; I103-F107 HydrophobicContact CG2-CD2 3.66Å; I103-F107 HydrophobicContact CG2-CE2 3.48Å; I103-F107 VanDerWaalsContact CG2-CE2 3.48Å; I103-F107 VanDerWaalsContact O-CD2 3.25Å; I103-F107 WeakPolarHBondContact O-CD2 3.46Å; I103-F107 PolarHBondContact O-N 2.93Å; R104-F107 PolarHBondContact O-N 3.47Å; Q105-F107 VanDerWaalsContact C-N 3.34Å; Q105-F107 PolarHBondContact O-N 3.04Å; F107-M109 PolarHBondContact O-N 3.07Å; F107-S110 PolarHBondContact O-N 2.93Å; F107-S110 PolarHBondContact O-OG 3.45Å; F107-T111 WeakPolarHBondContact O-CB 3.26Å; F107-T111 VanDerWaalsContact O-CG2 3.32Å; F107-T111 WeakPolarHBondContact O-CG2 3.43Å; F107-T111 PolarHBondContact O-N 2.94Å; F107-T111 PolarHBondContact O-OG1 3.36Å; F107-W122 AromaticContact CE1-CD2 3.48Å; F107-W122 HydrophobicContact CE1-CD2 3.48Å; F107-W122 VanDerWaalsContact CE1-CD2 3.48Å; F107-W122 AromaticContact CE1-CE2 3.79Å; F107-W122 AromaticContact CE1-CE3 3.59Å; F107-W122 HydrophobicContact CE1-CE3 3.59Å; F107-W122 AromaticContact CE1-CG 3.9Å; F107-W122 HydrophobicContact CE1-CG 3.9Å; F107-W122 HydrophobicContact CE1-CH2 4.28Å; F107-W122 HydrophobicContact CE1-CZ2 4.19Å; F107-W122 AromaticContact CE1-CZ3 3.99Å; F107-W122 HydrophobicContact CE1-CZ3 3.99Å; F107-W122 HydrophobicContact CZ-CB 4.23Å; F107-W122 AromaticContact CZ-CD2 3.86Å; F107-W122 HydrophobicContact CZ-CD2 3.86Å; F107-W122 AromaticContact CZ-CE3 3.72Å; F107-W122 HydrophobicContact CZ-CE3 3.72Å; F107-W122 HydrophobicContact CZ-CG 4.08Å; F107-W122 HydrophobicContact CZ-CZ3 4.35Å; F107-G137 WeakPolarHBondContact CB-O 3.32Å; F107-L138 HydrophobicContact CD2-CD2 3.74Å; F107-L138 HydrophobicContact CE2-CD2 4.22Å; F107-P139 HydrophobicContact CD1-CG 3.61Å; F107-P139 VanDerWaalsContact CD2-CD 3.47Å; F107-P139 HydrophobicContact CD2-CG 4.18Å; F107-P139 HydrophobicContact CE1-CG 3.57Å; F107-P139 HydrophobicContact CE2-CG 4.11Å; F107-P139 VanDerWaalsContact CG-CD 3.47Å; F107-P139 HydrophobicContact CG-CG 3.95Å; F107-P139 HydrophobicContact CZ-CG 3.83Å; F107-L142 HydrophobicContact CE2-CD1 4.2Å; F107-L142 HydrophobicContact CE2-CD2 4.03Å; F107-L142 HydrophobicContact CZ-CD1 3.92Å
108E74.6Confident70.2Confident76 Ų7650.8 Ų50.836%0.35528%0.277SS..Hα-helixtrans-63-27.5170.9-77.4174.5-173.800112.1R104 Q105 T111 Q112R104-E108 WeakPolarHBondContact CD-OE1 3.26Å; R104-E108 HydrophobicContact CG-CG 4.33Å; R104-E108 WeakPolarHBondContact CG-OE1 3.43Å; R104-E108 IonicContact CZ-OE1 3.51Å; R104-E108 IonicContact NH1-OE1 2.85Å; R104-E108 PolarHBondContact NH1-OE1 2.97Å; R104-E108 IonicContact NH1-OE2 3.89Å; R104-E108 PolarHBondContact NH1-OE2 3.3Å; R104-E108 WeakPolarHBondContact O-CB 3.36Å; R104-E108 WeakPolarHBondContact O-CG 3.42Å; R104-E108 PolarHBondContact O-N 2.98Å; Q105-E108 PolarHBondContact O-N 3.2Å; E108-T111 PolarHBondContact O-OG1 3.4Å; E108-Q112 WeakPolarHBondContact O-CG 3.25Å; E108-Q112 PolarHBondContact O-NE2 3.18Å
109M70.8Confident69.2Low27 Ų2754.9 Ų54.913%0.13330%0.295CS..Hα-helixtrans-82.3-47.3171.2-66.3179.5-161.400112.1L75 L76 L79 Q105 I106 F107 T111 Q112 F113L75-M109 HydrophobicContact CD2-CE 4.06Å; L75-M109 HydrophobicContact CD2-SD 4.04Å; L76-M109 HydrophobicContact CD2-CB 4.16Å; L76-M109 HydrophobicContact CD2-CG 3.71Å; L76-M109 HydrophobicContact CD2-SD 3.61Å; L76-M109 HydrophobicContact CG-SD 4.11Å; L79-M109 HydrophobicContact CD1-SD 4.3Å; Q105-M109 HydrophobicContact CB-CE 4.47Å; Q105-M109 VanDerWaalsContact O-CG 3.25Å; Q105-M109 WeakPolarHBondContact O-CG 3.25Å; Q105-M109 PolarHBondContact O-N 2.93Å; I106-M109 PolarHBondContact O-N 3.12Å; F107-M109 PolarHBondContact O-N 3.07Å; M109-T111 VanDerWaalsContact C-N 3.28Å; M109-T111 PolarHBondContact O-N 3.49Å; M109-Q112 WeakPolarHBondContact O-CB 3.41Å; M109-Q112 PolarHBondContact O-N 3.25Å; M109-F113 WeakPolarHBondContact O-CD2 3.49Å; M109-F113 PolarHBondContact O-N 3.2Å
110S69.8Low68.9Low9 Ų951.7 Ų51.76%0.06328%0.278CS..Hα-helixtrans-62.4-35.2-176.779.20000112.6I106 F107 Q112 F113 G114 L115I106-S110 WeakPolarHBondContact O-CB 3.3Å; I106-S110 PolarHBondContact O-N 3.2Å; F107-S110 PolarHBondContact O-N 2.93Å; F107-S110 PolarHBondContact O-OG 3.45Å; S110-Q112 PolarHBondContact O-N 3.05Å; S110-F113 CarbonylContact O-C 3.6Å; S110-F113 PolarHBondContact O-N 2.96Å; S110-G114 PolarHBondContact O-N 3.24Å; S110-G114 VanDerWaalsContact O-N 3.14Å; S110-L115 PolarHBondContact O-N 3.2Å
111T69.6Low69.1Low74 Ų7453.2 Ų53.245%0.45429%0.285SS..G310 helixtrans-65.9-32.1173.649.90000113.4F107 E108 M109 F113 G114F107-T111 WeakPolarHBondContact O-CB 3.26Å; F107-T111 VanDerWaalsContact O-CG2 3.32Å; F107-T111 WeakPolarHBondContact O-CG2 3.43Å; F107-T111 PolarHBondContact O-N 2.94Å; F107-T111 PolarHBondContact O-OG1 3.36Å; E108-T111 PolarHBondContact O-OG1 3.4Å; M109-T111 VanDerWaalsContact C-N 3.28Å; M109-T111 PolarHBondContact O-N 3.49Å; T111-F113 VanDerWaalsContact C-N 3.26Å; T111-F113 PolarHBondContact O-N 3.3Å; T111-G114 PolarHBondContact O-N 2.62Å
112Q65.6Low69.6Low147 Ų14749 Ų4969%0.68726%0.262SS*.G310 helixtrans-68.6-25.2173.4-70.6172.857.700112.8E108 M109 S110E108-Q112 WeakPolarHBondContact O-CG 3.25Å; E108-Q112 PolarHBondContact O-NE2 3.18Å; M109-Q112 WeakPolarHBondContact O-CB 3.41Å; M109-Q112 PolarHBondContact O-N 3.25Å; S110-Q112 PolarHBondContact O-N 3.05Å
113F63.7Low70.3Confident78 Ų7847.3 Ų47.334%0.34225%0.25SC..G310 helixtrans-99.67.1176.5-59.3-67.5000113.7L76 M109 S110 T111 L115L76-F113 HydrophobicContact CD2-CE2 3.75Å; L76-F113 HydrophobicContact CD2-CZ 4.02Å; M109-F113 WeakPolarHBondContact O-CD2 3.49Å; M109-F113 PolarHBondContact O-N 3.2Å; S110-F113 CarbonylContact O-C 3.6Å; S110-F113 PolarHBondContact O-N 2.96Å; T111-F113 VanDerWaalsContact C-N 3.26Å; T111-F113 PolarHBondContact O-N 3.3Å; F113-L115 HydrophobicContact CB-CD1 4.15Å
114G59.3Low70.7Confident33 Ų3347.4 Ų47.434%0.3425%0.25SS..THydrogen-bonded Turntrans8111.3174.600000115.9S110 T111 S116S110-G114 PolarHBondContact O-N 3.24Å; S110-G114 VanDerWaalsContact O-N 3.14Å; T111-G114 PolarHBondContact O-N 2.62Å; G114-S116 PolarHBondContact O-N 2.93Å; G114-S116 VanDerWaalsContact O-N 3.12Å
115L59.9Low71.1Confident8 Ų843.9 Ų43.94%0.04224%0.237CC..  trans-86.937.3-178.4-66148.7000112.3M83 R87 S110 F113 L120M83-L115 HydrophobicContact CB-CD1 3.5Å; M83-L115 VanDerWaalsContact CB-CD1 3.5Å; M83-L115 HydrophobicContact CG-CD1 3.8Å; M83-L115 HydrophobicContact SD-CD1 4.26Å; R87-L115 HydrophobicContact CB-CD2 4.36Å; R87-L115 HydrophobicContact CG-CD2 4.22Å; S110-L115 PolarHBondContact O-N 3.2Å; F113-L115 HydrophobicContact CB-CD1 4.15Å; L115-L120 HydrophobicContact CD2-CD1 3.83Å
116S57.3Low71.5Confident50 Ų5041 Ų4135%0.3522%0.224SC..  trans-8015417452.50000111.4G114 E119G114-S116 PolarHBondContact O-N 2.93Å; G114-S116 VanDerWaalsContact O-N 3.12Å; S116-E119 PolarHBondContact O-N 3.16Å
117P53.9Low71.7Confident42 Ų4241.7 Ų41.727%0.27323%0.231SC..THydrogen-bonded Turntrans-50.4138.1162.9-27.338.1000110.3P139 L140P117-P139 HydrophobicContact CG-CB 3.85Å; P117-L140 WeakPolarHBondContact CB-O 3.3Å; P117-L140 VanDerWaalsContact CG-O 3.3Å; P117-L140 WeakPolarHBondContact CG-O 3.47Å
118P52.3Low71.8Confident92 Ų9242.8 Ų42.860%0.59724%0.236SC*.THydrogen-bonded Turncis-100.111.125.739.3-38000116.1
119E59.3Low71.7Confident96 Ų9642.3 Ų42.345%0.44924%0.236SC..SBendtrans-74.2-30.2-172.9-67.9-172.2-170.400114.5R87 S116R87-E119 IonicContact CZ-OE1 3.72Å; R87-E119 IonicContact CZ-OE2 3.25Å; R87-E119 IonicContact NE-OE2 2.76Å; R87-E119 PolarHBondContact NE-OE2 3.12Å; R87-E119 IonicContact NH2-OE1 2.8Å; R87-E119 PolarHBondContact NH2-OE1 3.21Å; R87-E119 IonicContact NH2-OE2 2.72Å; R87-E119 PolarHBondContact NH2-OE2 3Å; S116-E119 PolarHBondContact O-N 3.16Å
120L71.8Confident71.5Confident9 Ų944.8 Ų44.85%0.04725%0.252CS..  trans-131.5138.8179.6-79.8130.1000111.6I86 T90 P91 L115I86-L120 HydrophobicContact CG2-CD2 4.28Å; T90-L120 WeakPolarHBondContact O-CD2 3.35Å; P91-L120 CarbonylContact O-C 3.55Å; P91-L120 WeakPolarHBondContact O-CA 3.44Å; L115-L120 HydrophobicContact CD2-CD1 3.83Å
121H81.3Confident71.3Confident75 Ų7552.7 Ų52.735%0.34729%0.288SS..EExtended strand (participates in β ladder)trans-84.8124167.9-55.9-54000109.7W30 P91 T92 M93W30-H121 HydrophobicContact CD2-CB 4.38Å; W30-H121 AromaticContact CE2-CD2 3.37Å; W30-H121 AromaticContact CE2-CG 3.64Å; W30-H121 AromaticContact CE2-NE2 3.79Å; W30-H121 HydrophobicContact CE3-CB 4.33Å; W30-H121 HydrophobicContact CH2-CB 3.78Å; W30-H121 AromaticContact CH2-CG 3.87Å; W30-H121 HydrophobicContact CZ2-CB 3.8Å; W30-H121 AromaticContact CZ2-CD2 3.57Å; W30-H121 AromaticContact CZ2-CE1 3.84Å; W30-H121 AromaticContact CZ2-CG 3.37Å; W30-H121 AromaticContact CZ2-ND1 3.56Å; W30-H121 AromaticContact CZ2-NE2 3.85Å; W30-H121 HydrophobicContact CZ3-CB 4.05Å; W30-H121 AromaticContact NE1-CD2 3.29Å; W30-H121 PolarHBondContact NE1-CD2 3.35Å; W30-H121 VanDerWaalsContact NE1-CD2 3.29Å; W30-H121 AromaticContact NE1-NE2 3.44Å; W30-H121 PolarHBondContact NE1-NE2 3.43Å; P91-H121 PolarHBondContact O-CD2 2.88Å; P91-H121 PolarHBondContact O-N 2.98Å; T92-H121 WeakPolarHBondContact CA-O 3.46Å; T92-H121 HydrophobicContact CG2-CB 4.35Å; M93-H121 PolarHBondContact N-O 3.43Å
122W85.6Confident71.1Confident4 Ų454.7 Ų54.72%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-111129-179.1-67.485.3000110.5L36 M93 M95 F107 L142 I143L36-W122 HydrophobicContact CD1-CZ3 4.35Å; M93-W122 HydrophobicContact CB-CD2 4.23Å; M93-W122 HydrophobicContact CB-CE3 3.92Å; M93-W122 HydrophobicContact CB-CH2 4.46Å; M93-W122 HydrophobicContact CB-CZ3 4.06Å; M93-W122 HydrophobicContact CG-CE3 3.75Å; M93-W122 HydrophobicContact CG-CH2 4.11Å; M93-W122 HydrophobicContact CG-CZ3 3.51Å; M93-W122 HydrophobicContact SD-CH2 3.85Å; M93-W122 HydrophobicContact SD-CZ3 3.75Å; M95-W122 HydrophobicContact CG-CE3 4.19Å; M95-W122 HydrophobicContact CG-CZ3 4.29Å; M95-W122 HydrophobicContact SD-CE3 3.75Å; M95-W122 HydrophobicContact SD-CZ3 3.91Å; F107-W122 AromaticContact CE1-CD2 3.48Å; F107-W122 HydrophobicContact CE1-CD2 3.48Å; F107-W122 VanDerWaalsContact CE1-CD2 3.48Å; F107-W122 AromaticContact CE1-CE2 3.79Å; F107-W122 AromaticContact CE1-CE3 3.59Å; F107-W122 HydrophobicContact CE1-CE3 3.59Å; F107-W122 AromaticContact CE1-CG 3.9Å; F107-W122 HydrophobicContact CE1-CG 3.9Å; F107-W122 HydrophobicContact CE1-CH2 4.28Å; F107-W122 HydrophobicContact CE1-CZ2 4.19Å; F107-W122 AromaticContact CE1-CZ3 3.99Å; F107-W122 HydrophobicContact CE1-CZ3 3.99Å; F107-W122 HydrophobicContact CZ-CB 4.23Å; F107-W122 AromaticContact CZ-CD2 3.86Å; F107-W122 HydrophobicContact CZ-CD2 3.86Å; F107-W122 AromaticContact CZ-CE3 3.72Å; F107-W122 HydrophobicContact CZ-CE3 3.72Å; F107-W122 HydrophobicContact CZ-CG 4.08Å; F107-W122 HydrophobicContact CZ-CZ3 4.35Å; W122-L142 HydrophobicContact CB-CD1 3.54Å; W122-I143 PolarHBondContact O-N 3.26Å
123V89.6Confident71.4Confident0 Ų048.5 Ų48.50%026%0.264CS..EExtended strand (participates in β ladder)trans-127.3128.1179.6-173.60000109.9T21 I24 W30 M93 V94 M95 I143T21-V123 HydrophobicContact CG2-CG1 4.34Å; I24-V123 HydrophobicContact CG2-CG1 4.42Å; W30-V123 HydrophobicContact CE3-CG2 4.23Å; W30-V123 HydrophobicContact CZ3-CG2 3.79Å; M93-V123 PolarHBondContact O-N 3.02Å; V94-V123 WeakPolarHBondContact CA-O 3.39Å; V94-V123 HydrophobicContact CG2-CB 4.4Å; M95-V123 PolarHBondContact N-O 3.22Å; V123-I143 WeakPolarHBondContact CA-O 3.17Å; V123-I143 HydrophobicContact CG2-CB 4.49Å
124L88.9Confident71.9Confident3 Ų353.5 Ų53.52%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-82.5116.8168.4-56.2-176000109.2M95 I103 Q128 L142 I143 A144 H145M95-L124 HydrophobicContact CB-CD2 4.18Å; M95-L124 HydrophobicContact SD-CD2 4.01Å; I103-L124 HydrophobicContact CD1-CD1 4.28Å; I103-L124 HydrophobicContact CD1-CD2 3.98Å; L124-Q128 HydrophobicContact CB-CG 4.47Å; L124-Q128 HydrophobicContact CD1-CG 3.89Å; L124-L142 HydrophobicContact CD1-CD2 4.5Å; L124-L142 HydrophobicContact CD2-CD1 4.26Å; L124-L142 HydrophobicContact CG-CD1 4.21Å; L124-I143 PolarHBondContact N-O 2.98Å; L124-A144 HydrophobicContact CD1-CB 4.1Å; L124-H145 PolarHBondContact O-ND1 3.17Å; L124-H145 VanDerWaalsContact O-ND1 3.07Å
125G85.8Confident72.6Confident0 Ų054 Ų540%028%0.277CS..  trans-85.4-14.3-176.700000114.7T21 M95 F96 H145T21-G125 PolarHBondContact OG1-O 3.34Å; M95-G125 WeakPolarHBondContact O-CA 3.45Å; M95-G125 PolarHBondContact O-N 3.39Å; F96-G125 VanDerWaalsContact CE1-C 3.45Å; F96-G125 VanDerWaalsContact CE1-O 3.25Å; F96-G125 WeakPolarHBondContact CE1-O 3.5Å; G125-H145 PolarHBondContact O-CE1 2.92Å
126D84.7Confident73.2Confident20 Ų2060.6 Ų60.611%0.10731%0.308CS..SBendtrans-96.2143.3171-51.3-55.6000110.9W42 F96 G97 Q128W42-D126 WeakPolarHBondContact CZ2-OD1 3.21Å; W42-D126 PolarHBondContact NE1-OD1 3.38Å; F96-D126 VanDerWaalsContact CA-OD2 3.29Å; F96-D126 WeakPolarHBondContact CA-OD2 3.25Å; F96-D126 WeakPolarHBondContact CD1-OD1 3.44Å; G97-D126 PolarHBondContact N-OD2 3.29Å; D126-Q128 PolarHBondContact O-N 3.23Å; D126-Q128 PolarHBondContact O-NE2 3.11Å
127S82.1Confident73.7Confident32 Ų3260.1 Ų60.122%0.22431%0.311CS..PPolyproline II helixtrans-69122.1177.756.40000113.1D17 H145 K147D17-S127 VanDerWaalsContact CG-OG 3.27Å; D17-S127 PolarHBondContact OD1-OG 2.87Å; D17-S127 WeakPolarHBondContact OD2-CB 3.38Å; D17-S127 PolarHBondContact OD2-N 2.96Å; D17-S127 PolarHBondContact OD2-OG 2.88Å; S127-H145 WeakPolarHBondContact CA-O 3.44Å; S127-K147 PolarHBondContact OG-NZ 2.85Å
128Q81.1Confident75Confident23 Ų2359.1 Ų59.111%0.10730%0.303CS..PPolyproline II helixtrans-93.2149.4-177.2-55.5-58.1-53.400112L124 D126 L133 A144 H145 G146L124-Q128 HydrophobicContact CB-CG 4.47Å; L124-Q128 HydrophobicContact CD1-CG 3.89Å; D126-Q128 PolarHBondContact O-N 3.23Å; D126-Q128 PolarHBondContact O-NE2 3.11Å; Q128-L133 HydrophobicContact CB-CD1 4.04Å; Q128-L133 HydrophobicContact CB-CD2 3.76Å; Q128-L133 HydrophobicContact CB-CG 3.9Å; Q128-L133 HydrophobicContact CG-CD2 4.01Å; Q128-A144 HydrophobicContact CG-CB 4.36Å; Q128-H145 PolarHBondContact N-O 3.15Å; Q128-G146 WeakPolarHBondContact O-CA 3.38Å
129N73.8Confident76.2Confident67 Ų6755.4 Ų55.436%0.35828%0.279SS..PPolyproline II helixtrans-87.2132.4170.9-177.112.8000110.6E131 E132 L133N129-E131 PolarHBondContact O-N 3.04Å; N129-E131 PolarHBondContact OD1-N 3.39Å; N129-E132 HydrophobicContact CB-CB 4.23Å; N129-E132 HydrophobicContact CB-CG 4.25Å; N129-E132 PolarHBondContact ND2-OE1 3.29Å; N129-E132 PolarHBondContact O-N 3.31Å; N129-L133 PolarHBondContact O-N 3.24Å; N129-L133 VanDerWaalsContact O-N 3.16Å
130V67.1Low77Confident79 Ų7954 Ų5448%0.47927%0.274SS..THydrogen-bonded Turntrans-59.3-33.4-178.2-173.30000112.2E132 W234V130-E132 VanDerWaalsContact C-N 3.28Å; V130-E132 PolarHBondContact O-N 3.13Å; V130-W234 HydrophobicContact CG2-CH2 3.41Å; V130-W234 VanDerWaalsContact CG2-CH2 3.41Å; V130-W234 HydrophobicContact CG2-CZ2 3.3Å; V130-W234 HydrophobicContact CG2-CZ3 4.32Å
131E65.2Low77.2Confident174 Ų17455.4 Ų55.481%0.81329%0.291SS*.THydrogen-bonded Turntrans-75.8-16.1-179.5-58.8-175.9166.300113.1N129N129-E131 PolarHBondContact O-N 3.04Å; N129-E131 PolarHBondContact OD1-N 3.39Å
132E65.9Low77.4Confident117 Ų11751.9 Ų51.955%0.54727%0.274SS..THydrogen-bonded Turntrans-103.4-16.5-178.5-69.8160.9-146.700112.8N129 V130 R134N129-E132 HydrophobicContact CB-CB 4.23Å; N129-E132 HydrophobicContact CB-CG 4.25Å; N129-E132 PolarHBondContact ND2-OE1 3.29Å; N129-E132 PolarHBondContact O-N 3.31Å; V130-E132 VanDerWaalsContact C-N 3.28Å; V130-E132 PolarHBondContact O-N 3.13Å; E132-R134 VanDerWaalsContact C-N 3.27Å; E132-R134 PolarHBondContact O-N 3.22Å
133L70.8Confident77.6Confident16 Ų1652.1 Ų52.18%0.08428%0.276CS..  trans-68.773.6176.5-79.4179000112.9M100 Q128 N129 A144 W234 W246M100-L133 HydrophobicContact CE-CD2 4.21Å; M100-L133 HydrophobicContact SD-CD2 4.34Å; Q128-L133 HydrophobicContact CB-CD1 4.04Å; Q128-L133 HydrophobicContact CB-CD2 3.76Å; Q128-L133 HydrophobicContact CB-CG 3.9Å; Q128-L133 HydrophobicContact CG-CD2 4.01Å; N129-L133 PolarHBondContact O-N 3.24Å; N129-L133 VanDerWaalsContact O-N 3.16Å; L133-A144 HydrophobicContact CD1-CB 4.37Å; L133-A144 HydrophobicContact CD2-CB 4.36Å; L133-W234 HydrophobicContact CD1-CE3 3.94Å; L133-W234 HydrophobicContact CD1-CZ3 4.19Å; L133-W246 HydrophobicContact CB-CG 4.48Å; L133-W246 HydrophobicContact CD1-CD2 4.44Å; L133-W246 HydrophobicContact CD2-CH2 4.44Å; L133-W246 HydrophobicContact CD2-CZ2 3.84Å; L133-W246 VanDerWaalsContact O-CD1 3.24Å; L133-W246 PolarHBondContact O-NE1 3.38Å
134R73.5Confident77.5Confident183 Ų18352.1 Ų52.169%0.69128%0.276SS*.  trans-62160.2168.2-59.7-173-173.5-168.65.6111.1E132 L138 W246E132-R134 VanDerWaalsContact C-N 3.27Å; E132-R134 PolarHBondContact O-N 3.22Å; R134-L138 VanDerWaalsContact O-CD1 3.24Å; R134-L138 WeakPolarHBondContact O-CD1 3.46Å; R134-W246 PolarHBondContact O-NE1 2.95Å
135T75.1Confident77.5Confident45 Ų4552 Ų5228%0.27628%0.275SS..  trans-113.51-179.459.40000113.6L236 P244T135-L236 HydrophobicContact CG2-CD1 3.74Å; T135-P244 WeakPolarHBondContact CB-O 3.46Å; T135-P244 WeakPolarHBondContact CG2-O 3.27Å; T135-P244 PolarHBondContact OG1-O 3.12Å
136E71.4Confident77.4Confident146 Ų14652 Ų5268%0.68228%0.275SS*.THydrogen-bonded Turntrans-82.7126.1-179.5-63179.8160.400111.1L138E136-L138 VanDerWaalsContact C-N 3.28Å; E136-L138 PolarHBondContact O-N 3.49Å
137G69.7Low77Confident40 Ų4054.7 Ų54.741%0.41229%0.286SS..THydrogen-bonded Turntrans77.11.7177.400000115.9F107F107-G137 WeakPolarHBondContact CB-O 3.32Å
138L80.1Confident76.3Confident20 Ų2055.3 Ų55.311%0.10529%0.288CS..PPolyproline II helixtrans-95.4146.1178.7-60.2-173.7000112.5M100 I103 F107 R134 E136 L142 L236 W246M100-L138 HydrophobicContact CE-CD1 3.99Å; I103-L138 HydrophobicContact CG2-CD2 3.74Å; F107-L138 HydrophobicContact CD2-CD2 3.74Å; F107-L138 HydrophobicContact CE2-CD2 4.22Å; R134-L138 VanDerWaalsContact O-CD1 3.24Å; R134-L138 WeakPolarHBondContact O-CD1 3.46Å; E136-L138 VanDerWaalsContact C-N 3.28Å; E136-L138 PolarHBondContact O-N 3.49Å; L138-L142 HydrophobicContact CB-CD2 4.28Å; L138-L142 HydrophobicContact CD1-CD2 4.1Å; L138-L142 HydrophobicContact CD2-CD2 4.43Å; L138-L236 HydrophobicContact CB-CD2 3.42Å; L138-L236 VanDerWaalsContact CB-CD2 3.42Å; L138-L236 HydrophobicContact CD1-CD2 4.37Å; L138-W246 HydrophobicContact CD1-CZ2 3.83Å
139P78.3Confident75.3Confident15 Ų1559.9 Ų59.910%0.09732%0.318CS..PPolyproline II helixtrans-82.7146.6-17933.9-36.7000113.1F107 P117 L142F107-P139 HydrophobicContact CD1-CG 3.61Å; F107-P139 VanDerWaalsContact CD2-CD 3.47Å; F107-P139 HydrophobicContact CD2-CG 4.18Å; F107-P139 HydrophobicContact CE1-CG 3.57Å; F107-P139 HydrophobicContact CE2-CG 4.11Å; F107-P139 VanDerWaalsContact CG-CD 3.47Å; F107-P139 HydrophobicContact CG-CG 3.95Å; F107-P139 HydrophobicContact CZ-CG 3.83Å; P117-P139 HydrophobicContact CG-CB 3.85Å; P139-L142 HydrophobicContact CG-CB 4.4Å; P139-L142 VanDerWaalsContact O-CB 3.23Å; P139-L142 WeakPolarHBondContact O-CB 3.45Å; P139-L142 PolarHBondContact O-N 2.85Å
140L75.4Confident74.7Confident67 Ų6765.6 Ų65.635%0.35134%0.342SS..THydrogen-bonded Turntrans-68.9139.1177.3-63.3157.5000111.2P117 L142 L236 H238 P244P117-L140 WeakPolarHBondContact CB-O 3.3Å; P117-L140 VanDerWaalsContact CG-O 3.3Å; P117-L140 WeakPolarHBondContact CG-O 3.47Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L236 CarbonylContact C-O 3.49Å; L140-L236 WeakPolarHBondContact CA-O 3.44Å; L140-H238 WeakPolarHBondContact CD1-CE1 3.02Å; L140-P244 HydrophobicContact CD2-CB 4.4Å
141G76.8Confident74.8Confident38 Ų3863.1 Ų63.139%0.39233%0.329SS..THydrogen-bonded Turntrans87.3-1.3-173.200000114.4I143 N235 L236G141-I143 PolarHBondContact O-N 3.02Å; G141-N235 VanDerWaalsContact CA-OD1 3.26Å; G141-N235 WeakPolarHBondContact CA-OD1 3.36Å; G141-L236 PolarHBondContact N-O 2.86Å
142L85.3Confident75.4Confident1 Ų158.6 Ų58.61%0.00531%0.313CS..  trans-60125.5169.417965000109.8F107 W122 L124 L138 P139 L140 N235 L236 W246F107-L142 HydrophobicContact CE2-CD1 4.2Å; F107-L142 HydrophobicContact CE2-CD2 4.03Å; F107-L142 HydrophobicContact CZ-CD1 3.92Å; W122-L142 HydrophobicContact CB-CD1 3.54Å; L124-L142 HydrophobicContact CD1-CD2 4.5Å; L124-L142 HydrophobicContact CD2-CD1 4.26Å; L124-L142 HydrophobicContact CG-CD1 4.21Å; L138-L142 HydrophobicContact CB-CD2 4.28Å; L138-L142 HydrophobicContact CD1-CD2 4.1Å; L138-L142 HydrophobicContact CD2-CD2 4.43Å; P139-L142 HydrophobicContact CG-CB 4.4Å; P139-L142 VanDerWaalsContact O-CB 3.23Å; P139-L142 WeakPolarHBondContact O-CB 3.45Å; P139-L142 PolarHBondContact O-N 2.85Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L142-N235 WeakPolarHBondContact O-CA 3.42Å; L142-L236 HydrophobicContact CB-CB 4.38Å; L142-L236 PolarHBondContact O-N 2.99Å; L142-L236 VanDerWaalsContact O-N 3.11Å; L142-W246 HydrophobicContact CB-CH2 4.29Å; L142-W246 HydrophobicContact CD2-CH2 3.75Å; L142-W246 HydrophobicContact CD2-CZ2 4.09Å; L142-W246 HydrophobicContact CG-CH2 3.87Å; L142-W246 WeakPolarHBondContact O-CZ3 3.48Å
143I88.1Confident76.2Confident9 Ų959.4 Ų59.45%0.04632%0.315CS..EExtended strand (participates in β ladder)trans-96.3126.4175.2-61.5-177.4000109.4I24 W30 W122 V123 L124 G141 I233 W234I24-I143 HydrophobicContact CD1-CG2 4.2Å; I24-I143 HydrophobicContact CG2-CD1 4.41Å; I24-I143 HydrophobicContact CG2-CG2 4.25Å; W30-I143 HydrophobicContact CH2-CD1 3.76Å; W30-I143 HydrophobicContact CZ3-CD1 3.91Å; W122-I143 PolarHBondContact O-N 3.26Å; V123-I143 WeakPolarHBondContact CA-O 3.17Å; V123-I143 HydrophobicContact CG2-CB 4.49Å; L124-I143 PolarHBondContact N-O 2.98Å; G141-I143 PolarHBondContact O-N 3.02Å; I143-I233 HydrophobicContact CG2-CG2 3.94Å; I143-W234 WeakPolarHBondContact CA-O 3.46Å
144A88.8Confident76.9Confident0 Ų065.4 Ų65.40%034%0.342CS..EExtended strand (participates in β ladder)trans-118.1155.1169.400000109.6L124 Q128 L133 W234 W246L124-A144 HydrophobicContact CD1-CB 4.1Å; Q128-A144 HydrophobicContact CG-CB 4.36Å; L133-A144 HydrophobicContact CD1-CB 4.37Å; L133-A144 HydrophobicContact CD2-CB 4.36Å; A144-W234 PolarHBondContact N-O 2.92Å; A144-W234 PolarHBondContact O-N 2.94Å; A144-W234 VanDerWaalsContact O-O 3.14Å; A144-W246 HydrophobicContact CB-CE3 4.4Å; A144-W246 HydrophobicContact CB-CH2 3.61Å; A144-W246 HydrophobicContact CB-CZ2 4.49Å; A144-W246 HydrophobicContact CB-CZ3 3.57Å
145H88.5Confident77.5Confident0 Ų061.6 Ų61.60%033%0.329CS..EExtended strand (participates in β ladder)trans-133.4159.216977.3-80.2000109.3D17 V20 T21 I24 L124 G125 S127 Q128 F231 F232 I233D17-H145 PolarHBondContact O-NE2 3.23Å; V20-H145 HydrophobicContact CG1-CB 4.03Å; V20-H145 VanDerWaalsContact CG1-CD2 3.49Å; V20-H145 WeakPolarHBondContact CG1-CD2 3.48Å; T21-H145 PolarHBondContact OG1-CE1 3.39Å; T21-H145 VanDerWaalsContact OG1-CE1 3.31Å; I24-H145 HydrophobicContact CD1-CB 4.09Å; L124-H145 PolarHBondContact O-ND1 3.17Å; L124-H145 VanDerWaalsContact O-ND1 3.07Å; G125-H145 PolarHBondContact O-CE1 2.92Å; S127-H145 WeakPolarHBondContact CA-O 3.44Å; Q128-H145 PolarHBondContact N-O 3.15Å; H145-F231 AromaticContact CD2-CD1 3.75Å; H145-F232 CarbonylContact C-O 3.54Å; H145-F232 VanDerWaalsContact CA-O 3.3Å; H145-F232 WeakPolarHBondContact CA-O 3.41Å; H145-I233 HydrophobicContact CB-CG1 4.22Å
146G84.1Confident78Confident0 Ų060.3 Ų60.30%032%0.319CS..EExtended strand (participates in β ladder)trans-167.5159.6-175.900000113.3Q128 F231 F232 W234Q128-G146 WeakPolarHBondContact O-CA 3.38Å; G146-F231 CarbonylContact O-C 3.58Å; G146-F231 WeakPolarHBondContact O-CA 3.34Å; G146-F231 WeakPolarHBondContact O-CB 3.5Å; G146-F232 PolarHBondContact N-O 3.37Å; G146-F232 PolarHBondContact O-N 3.44Å; G146-W234 VanDerWaalsContact CA-CZ3 3.49Å; G146-W234 VanDerWaalsContact N-CZ3 3.29Å
147K76.1Confident78.8Confident76 Ų7656.3 Ų56.333%0.3330%0.304SS..EExtended strand (participates in β ladder)trans-72.6142.3-178.5-65.4171.317187.40109D17 S127 F231D17-K147 IonicContact OD1-NZ 2.69Å; D17-K147 PolarHBondContact OD1-NZ 3.13Å; D17-K147 IonicContact OD2-NZ 3.34Å; D17-K147 PolarHBondContact OD2-NZ 2.98Å; S127-K147 PolarHBondContact OG-NZ 2.85Å; K147-F231 HydrophobicContact CD-CE1 4.29Å; K147-F231 HydrophobicContact CD-CZ 4.47Å; K147-F231 HydrophobicContact CG-CD1 3.84Å; K147-F231 HydrophobicContact CG-CE1 3.42Å; K147-F231 VanDerWaalsContact CG-CE1 3.42Å; K147-F231 HydrophobicContact CG-CZ 3.87Å
148T66.9Low79.7Confident46 Ų4659.3 Ų59.328%0.28231%0.308SS..  trans-55.3146.8165.7-59.60000109Q150 N230 F232T148-Q150 PolarHBondContact O-N 2.92Å; T148-N230 WeakPolarHBondContact CB-O 3.48Å; T148-N230 PolarHBondContact N-O 2.57Å; T148-N230 PolarHBondContact OG1-O 2.96Å; T148-F232 HydrophobicContact CG2-CE2 4Å; T148-F232 WeakPolarHBondContact OG1-CE2 3.43Å
149T60.1Low80.1Confident119 Ų11958.5 Ų58.573%0.7330%0.303SS*.SBendtrans-40.9126.3173.350.30000110.8S151T149-S151 PolarHBondContact O-N 2.03Å
150Q62.5Low80.6Confident186 Ų18659.4 Ų59.487%0.86931%0.312SS*.PPolyproline II helixtrans-48.8126.2-171.3-69.9-175.8-10.200111.4T148 V152T148-Q150 PolarHBondContact O-N 2.92Å; Q150-V152 PolarHBondContact O-N 3.39Å
151S67.4Low81.3Confident27 Ų2762.7 Ų62.719%0.18933%0.327CS..PPolyproline II helixtrans-63.3130.8-179.736.40000110.4T149 Y156T149-S151 PolarHBondContact O-N 2.03Å; S151-Y156 WeakPolarHBondContact O-CE2 3.1Å; S151-Y156 WeakPolarHBondContact OG-CE2 3.38Å; S151-Y156 PolarHBondContact OG-OH 2.97Å
152V79.1Confident82.1Confident79 Ų7963.7 Ų63.748%0.47932%0.322SS..PPolyproline II helixtrans-60.1141.5-177.5-174.60000109.6Q150 E154 Y155Q150-V152 PolarHBondContact O-N 3.39Å; V152-E154 HydrophobicContact CG1-CB 4.37Å; V152-E154 HydrophobicContact CG1-CG 4.24Å; V152-E154 PolarHBondContact O-N 3Å; V152-Y155 WeakPolarHBondContact O-CB 3.46Å; V152-Y155 PolarHBondContact O-N 3.4Å
153F82.5Confident82.3Confident135 Ų13563.7 Ų63.759%0.59232%0.322SS*.Hα-helixtrans-48.6-34.6-179.2179.2-103.6000113.8Y155 Y156 V157F153-Y155 VanDerWaalsContact C-N 3.28Å; F153-Y155 PolarHBondContact O-N 2.87Å; F153-Y156 PolarHBondContact O-N 3.17Å; F153-V157 HydrophobicContact CD1-CG2 4.04Å; F153-V157 HydrophobicContact CE1-CG2 3.56Å; F153-V157 HydrophobicContact CE2-CG2 4.45Å; F153-V157 HydrophobicContact CZ-CG2 3.79Å; F153-V157 PolarHBondContact O-N 3.44Å; F153-V157 VanDerWaalsContact O-N 3.13Å
154E86.1Confident82.4Confident142 Ų14266.5 Ų66.566%0.66434%0.339SS*.Hα-helixtrans-57.8-36.1176-59.9-176162.800113.2V152 V157 Q158V152-E154 HydrophobicContact CG1-CB 4.37Å; V152-E154 HydrophobicContact CG1-CG 4.24Å; V152-E154 PolarHBondContact O-N 3Å; E154-V157 PolarHBondContact O-N 2.79Å; E154-Q158 PolarHBondContact O-N 3.31Å
155Y85.9Confident82.6Confident102 Ų10269.4 Ų69.440%0.436%0.363SS..Hα-helixtrans-68.3-40.1178.2-63.3-9.5000111.4V152 F153 V157 Q158 D159 L213V152-Y155 WeakPolarHBondContact O-CB 3.46Å; V152-Y155 PolarHBondContact O-N 3.4Å; F153-Y155 VanDerWaalsContact C-N 3.28Å; F153-Y155 PolarHBondContact O-N 2.87Å; Y155-V157 VanDerWaalsContact C-N 3.31Å; Y155-V157 PolarHBondContact O-N 3.36Å; Y155-Q158 PolarHBondContact O-N 3.39Å; Y155-D159 WeakPolarHBondContact O-CB 3.27Å; Y155-D159 VanDerWaalsContact O-CG 3.22Å; Y155-D159 PolarHBondContact O-N 3.19Å; Y155-L213 HydrophobicContact CD1-CB 4.2Å; Y155-L213 HydrophobicContact CD1-CD1 3.79Å; Y155-L213 HydrophobicContact CD2-CB 4.13Å; Y155-L213 HydrophobicContact CE1-CD1 4.2Å; Y155-L213 HydrophobicContact CG-CB 3.79Å; Y155-L213 HydrophobicContact CG-CD1 4.26Å
156Y85.4Confident82.8Confident19 Ų1974.6 Ų74.68%0.07538%0.382CS..Hα-helixtrans-63.8-35.8173.4-70.9-70.4000112.3L8 L10 S151 F153 A160 S214L8-Y156 HydrophobicContact CD1-CD1 4.31Å; L8-Y156 HydrophobicContact CD2-CD1 3.93Å; L8-Y156 HydrophobicContact CD2-CG 4.33Å; L8-Y156 HydrophobicContact CG-CD1 4.29Å; L10-Y156 HydrophobicContact CD2-CD1 4.32Å; L10-Y156 HydrophobicContact CD2-CD2 3.46Å; L10-Y156 VanDerWaalsContact CD2-CD2 3.46Å; L10-Y156 HydrophobicContact CD2-CE1 4.39Å; L10-Y156 HydrophobicContact CD2-CE2 3.56Å; L10-Y156 HydrophobicContact CD2-CG 3.84Å; S151-Y156 WeakPolarHBondContact O-CE2 3.1Å; S151-Y156 WeakPolarHBondContact OG-CE2 3.38Å; S151-Y156 PolarHBondContact OG-OH 2.97Å; F153-Y156 PolarHBondContact O-N 3.17Å; Y156-A160 VanDerWaalsContact O-CB 3.26Å; Y156-A160 WeakPolarHBondContact O-CB 3.47Å; Y156-A160 PolarHBondContact O-N 3.37Å; Y156-S214 WeakPolarHBondContact CD1-OG 3.11Å
157V88Confident83.1Confident61 Ų6174.6 Ų74.637%0.3738%0.383SS..Hα-helixtrans-68.5-43.6174.4175.40000111.4F153 E154 Y155 A160 M161F153-V157 HydrophobicContact CD1-CG2 4.04Å; F153-V157 HydrophobicContact CE1-CG2 3.56Å; F153-V157 HydrophobicContact CE2-CG2 4.45Å; F153-V157 HydrophobicContact CZ-CG2 3.79Å; F153-V157 PolarHBondContact O-N 3.44Å; F153-V157 VanDerWaalsContact O-N 3.13Å; E154-V157 PolarHBondContact O-N 2.79Å; Y155-V157 VanDerWaalsContact C-N 3.31Å; Y155-V157 PolarHBondContact O-N 3.36Å; V157-A160 PolarHBondContact O-N 2.94Å; V157-M161 PolarHBondContact O-N 3.47Å
158Q89Confident83.8Confident104 Ų10473.5 Ų73.549%0.48638%0.382SS..Hα-helixtrans-63.4-46.4176.9-179.4169-2500111.5E154 Y155 A160 M161 E162 L213E154-Q158 PolarHBondContact O-N 3.31Å; Y155-Q158 PolarHBondContact O-N 3.39Å; Q158-A160 VanDerWaalsContact C-N 3.33Å; Q158-A160 PolarHBondContact O-N 2.7Å; Q158-M161 PolarHBondContact O-N 3.47Å; Q158-E162 PolarHBondContact O-N 2.86Å; Q158-L213 HydrophobicContact CG-CD1 4.41Å
159D88.7Confident84.9Confident2 Ų273.8 Ų73.81%0.01139%0.389CS..Hα-helixtrans-64.1-36.9177.5-71.4-9.8000111.8Y155 E162 L163 F210 G212 L213 S214 I217Y155-D159 WeakPolarHBondContact O-CB 3.27Å; Y155-D159 VanDerWaalsContact O-CG 3.22Å; Y155-D159 PolarHBondContact O-N 3.19Å; D159-E162 PolarHBondContact O-N 2.73Å; D159-L163 WeakPolarHBondContact O-CB 3.48Å; D159-L163 PolarHBondContact O-N 3.04Å; D159-F210 HydrophobicContact CB-CZ 4.37Å; D159-F210 WeakPolarHBondContact O-CZ 3.47Å; D159-G212 VanDerWaalsContact OD1-CA 3.23Å; D159-G212 WeakPolarHBondContact OD1-CA 3.45Å; D159-L213 PolarHBondContact OD1-N 3.34Å; D159-L213 PolarHBondContact OD2-N 2.69Å; D159-L213 VanDerWaalsContact OD2-N 3.14Å; D159-S214 VanDerWaalsContact OD2-CB 3.28Å; D159-S214 WeakPolarHBondContact OD2-CB 3.45Å; D159-S214 PolarHBondContact OD2-N 2.56Å; D159-S214 PolarHBondContact OD2-OG 2.71Å; D159-I217 HydrophobicContact CB-CD1 4.06Å; D159-I217 HydrophobicContact CB-CG1 4.09Å
160A87.9Confident86.4Confident34 Ų3471.2 Ų71.228%0.28137%0.373SS..Hα-helixtrans-64.5-39.4173.600000112.4Y156 V157 Q158 V164Y156-A160 VanDerWaalsContact O-CB 3.26Å; Y156-A160 WeakPolarHBondContact O-CB 3.47Å; Y156-A160 PolarHBondContact O-N 3.37Å; V157-A160 PolarHBondContact O-N 2.94Å; Q158-A160 VanDerWaalsContact C-N 3.33Å; Q158-A160 PolarHBondContact O-N 2.7Å; A160-V164 WeakPolarHBondContact O-CG2 3.41Å; A160-V164 PolarHBondContact O-N 2.65Å
161M90.8Very high87.8Confident137 Ų13762.3 Ų62.368%0.67533%0.332SS*.Hα-helixtrans-66.4-40.5172.2-71.5-161.9-177.400112V157 Q158 V164 A165V157-M161 PolarHBondContact O-N 3.47Å; Q158-M161 PolarHBondContact O-N 3.47Å; M161-V164 PolarHBondContact O-N 2.77Å; M161-A165 WeakPolarHBondContact O-CB 3.44Å; M161-A165 PolarHBondContact O-N 2.82Å
162E92.2Very high88.8Confident59 Ų5962.9 Ų62.928%0.27633%0.334SS..Hα-helixtrans-67.8-38.2179.8-175.1166.9-176.800112.4Q158 D159 V164 A165 R166 F210Q158-E162 PolarHBondContact O-N 2.86Å; D159-E162 PolarHBondContact O-N 2.73Å; E162-V164 VanDerWaalsContact C-N 3.33Å; E162-V164 PolarHBondContact O-N 3.31Å; E162-A165 PolarHBondContact O-N 2.82Å; E162-R166 HydrophobicContact CG-CG 4.17Å; E162-R166 WeakPolarHBondContact O-CB 3.29Å; E162-R166 VanDerWaalsContact O-CG 3.31Å; E162-R166 WeakPolarHBondContact O-CG 3.45Å; E162-R166 PolarHBondContact O-N 2.58Å; E162-R166 IonicContact OE1-CZ 3.13Å; E162-R166 IonicContact OE1-NE 2.77Å; E162-R166 PolarHBondContact OE1-NE 2.78Å; E162-R166 IonicContact OE1-NH2 2.65Å; E162-R166 PolarHBondContact OE1-NH2 3.14Å; E162-F210 HydrophobicContact CB-CE2 3.91Å; E162-F210 HydrophobicContact CB-CZ 3.87Å; E162-F210 HydrophobicContact CG-CD2 4.19Å; E162-F210 HydrophobicContact CG-CE2 3.63Å; E162-F210 HydrophobicContact CG-CZ 3.93Å
163L90.6Very high89.4Confident1 Ų167.1 Ų67.11%0.00535%0.351CS..Hα-helixtrans-55.1-49.7171.5-175.671.4000110.9L6 D159 A167 T208 F210 I217 V219 I225L6-L163 HydrophobicContact CD1-CD2 4.42Å; D159-L163 WeakPolarHBondContact O-CB 3.48Å; D159-L163 PolarHBondContact O-N 3.04Å; L163-A167 VanDerWaalsContact O-CB 3.28Å; L163-A167 WeakPolarHBondContact O-CB 3.39Å; L163-A167 PolarHBondContact O-N 3.31Å; L163-T208 VanDerWaalsContact CD1-OG1 3.27Å; L163-T208 WeakPolarHBondContact CD1-OG1 3.38Å; L163-F210 HydrophobicContact CB-CE1 3.85Å; L163-F210 HydrophobicContact CB-CZ 4.39Å; L163-F210 HydrophobicContact CD1-CD1 4.31Å; L163-F210 HydrophobicContact CD1-CE1 3.86Å; L163-F210 HydrophobicContact CG-CE1 4.49Å; L163-I217 HydrophobicContact CD1-CG2 4.15Å; L163-V219 HydrophobicContact CD1-CG2 4.36Å; L163-V219 HydrophobicContact CD2-CG2 4.12Å; L163-I225 HydrophobicContact CD2-CD1 3.5Å; L163-I225 VanDerWaalsContact CD2-CD1 3.5Å; L163-I225 HydrophobicContact CD2-CG1 3.83Å; L163-I225 HydrophobicContact CD2-CG2 4.25Å
164V90.3Very high89.8Confident68 Ų6866.6 Ų66.641%0.41235%0.353SS..Hα-helixtrans-65.5-43.9179.1174.90000111.1A160 M161 E162 A167 V168 L205A160-V164 WeakPolarHBondContact O-CG2 3.41Å; A160-V164 PolarHBondContact O-N 2.65Å; M161-V164 PolarHBondContact O-N 2.77Å; E162-V164 VanDerWaalsContact C-N 3.33Å; E162-V164 PolarHBondContact O-N 3.31Å; V164-A167 PolarHBondContact O-N 2.88Å; V164-V168 HydrophobicContact CG1-CG2 4.28Å; V164-V168 WeakPolarHBondContact O-CB 3.03Å; V164-V168 VanDerWaalsContact O-CG2 3.3Å; V164-V168 WeakPolarHBondContact O-CG2 3.42Å; V164-V168 PolarHBondContact O-N 3.18Å; V164-L205 HydrophobicContact CG2-CD2 4.04Å
165A92.4Very high89.8Confident60 Ų6063.6 Ų63.650%0.49634%0.339SS..Hα-helixtrans-61.2-46.1178.200000112.1M161 E162 A169M161-A165 WeakPolarHBondContact O-CB 3.44Å; M161-A165 PolarHBondContact O-N 2.82Å; E162-A165 PolarHBondContact O-N 2.82Å; A165-A169 WeakPolarHBondContact O-CB 3.33Å; A165-A169 PolarHBondContact O-N 3.05Å
166R93.1Very high89.7Confident109 Ų10961.9 Ų61.941%0.41134%0.34SS..Hα-helixtrans-65.1-40.5176.7-71.6175.7176.7-120.69.2112.2E162 T170 T208E162-R166 HydrophobicContact CG-CG 4.17Å; E162-R166 WeakPolarHBondContact O-CB 3.29Å; E162-R166 VanDerWaalsContact O-CG 3.31Å; E162-R166 WeakPolarHBondContact O-CG 3.45Å; E162-R166 PolarHBondContact O-N 2.58Å; E162-R166 IonicContact OE1-CZ 3.13Å; E162-R166 IonicContact OE1-NE 2.77Å; E162-R166 PolarHBondContact OE1-NE 2.78Å; E162-R166 IonicContact OE1-NH2 2.65Å; E162-R166 PolarHBondContact OE1-NH2 3.14Å; R166-T170 WeakPolarHBondContact O-CG2 3.45Å; R166-T170 PolarHBondContact O-N 2.87Å; R166-T170 PolarHBondContact O-OG1 2.99Å; R166-T208 HydrophobicContact CB-CG2 4.38Å
167A90.1Very high89.5Confident1 Ų168.2 Ų68.21%0.00837%0.37CS..Hα-helixtrans-67.7-42.6177.500000112.5L163 V164 T170 A171 F204 L205 T208L163-A167 VanDerWaalsContact O-CB 3.28Å; L163-A167 WeakPolarHBondContact O-CB 3.39Å; L163-A167 PolarHBondContact O-N 3.31Å; V164-A167 PolarHBondContact O-N 2.88Å; A167-T170 PolarHBondContact O-OG1 3.33Å; A167-T170 VanDerWaalsContact O-OG1 3.08Å; A167-A171 VanDerWaalsContact O-CB 3.27Å; A167-A171 WeakPolarHBondContact O-CB 3.02Å; A167-A171 PolarHBondContact O-N 2.92Å; A167-F204 HydrophobicContact CB-CB 4.09Å; A167-L205 HydrophobicContact CB-CB 4.41Å; A167-L205 HydrophobicContact CB-CD2 3.46Å; A167-L205 VanDerWaalsContact CB-CD2 3.46Å; A167-L205 HydrophobicContact CB-CG 3.76Å; A167-T208 HydrophobicContact CB-CG2 3.89Å
168V90.5Very high89.3Confident53 Ų5366.6 Ų66.632%0.32136%0.36SS..Hα-helixtrans-66-45.6174.7173.50000110.4V164 T170 A171 T172 L201V164-V168 HydrophobicContact CG1-CG2 4.28Å; V164-V168 WeakPolarHBondContact O-CB 3.03Å; V164-V168 VanDerWaalsContact O-CG2 3.3Å; V164-V168 WeakPolarHBondContact O-CG2 3.42Å; V164-V168 PolarHBondContact O-N 3.18Å; V168-T170 VanDerWaalsContact C-N 3.33Å; V168-T170 PolarHBondContact O-N 3.44Å; V168-A171 PolarHBondContact O-N 3.45Å; V168-T172 HydrophobicContact CG1-CG2 4.11Å; V168-T172 VanDerWaalsContact O-CG2 3.32Å; V168-T172 WeakPolarHBondContact O-CG2 3.32Å; V168-T172 PolarHBondContact O-N 3.29Å; V168-T172 PolarHBondContact O-OG1 3.13Å; V168-L201 HydrophobicContact CG2-CD2 4.12Å
169A91Very high88.9Confident52 Ų5262.1 Ų62.143%0.4334%0.341SS..Hα-helixtrans-63.3-34.5-179.700000113.7A165 T172 M173A165-A169 WeakPolarHBondContact O-CB 3.33Å; A165-A169 PolarHBondContact O-N 3.05Å; A169-T172 WeakPolarHBondContact CA-OG1 3.49Å; A169-T172 PolarHBondContact O-OG1 3.21Å; A169-T172 VanDerWaalsContact O-OG1 3.04Å; A169-M173 VanDerWaalsContact O-CG 3.26Å; A169-M173 WeakPolarHBondContact O-CG 3.43Å; A169-M173 PolarHBondContact O-N 3.09Å
170T91.7Very high88.5Confident64 Ų6467.7 Ų67.739%0.39337%0.37SS..Hα-helixtrans-74.3-37.4173.446.70000112R166 A167 V168 I174R166-T170 WeakPolarHBondContact O-CG2 3.45Å; R166-T170 PolarHBondContact O-N 2.87Å; R166-T170 PolarHBondContact O-OG1 2.99Å; A167-T170 PolarHBondContact O-OG1 3.33Å; A167-T170 VanDerWaalsContact O-OG1 3.08Å; V168-T170 VanDerWaalsContact C-N 3.33Å; V168-T170 PolarHBondContact O-N 3.44Å; T170-I174 PolarHBondContact O-N 3.4Å
171A90.4Very high87.9Confident0 Ų070.2 Ų70.20%038%0.378CS..Hα-helixtrans-65.5-39.7175.600000113.3A167 V168 I174 Q175 A179 Y200 L201 F204A167-A171 VanDerWaalsContact O-CB 3.27Å; A167-A171 WeakPolarHBondContact O-CB 3.02Å; A167-A171 PolarHBondContact O-N 2.92Å; V168-A171 PolarHBondContact O-N 3.45Å; A171-I174 PolarHBondContact O-N 3.35Å; A171-Q175 PolarHBondContact O-N 3.03Å; A171-A179 HydrophobicContact CB-CB 4.1Å; A171-Y200 HydrophobicContact CB-CD1 4.39Å; A171-Y200 HydrophobicContact CB-CE1 3.79Å; A171-Y200 PolarHBondContact O-OH 2.81Å; A171-L201 HydrophobicContact CB-CD2 3.58Å; A171-F204 HydrophobicContact CB-CB 4.4Å; A171-F204 HydrophobicContact CB-CD1 4.31Å; A171-F204 HydrophobicContact CB-CD2 3.49Å; A171-F204 VanDerWaalsContact CB-CD2 3.49Å; A171-F204 HydrophobicContact CB-CE2 3.79Å; A171-F204 HydrophobicContact CB-CG 3.78Å; A171-F204 HydrophobicContact CB-CZ 4.31Å
172T89.9Confident86.7Confident38 Ų3868.7 Ų68.723%0.23338%0.378CS..Hα-helixtrans-70.7-35.8178.455.20000112.8V168 A169 I174 P176 A179 L180V168-T172 HydrophobicContact CG1-CG2 4.11Å; V168-T172 VanDerWaalsContact O-CG2 3.32Å; V168-T172 WeakPolarHBondContact O-CG2 3.32Å; V168-T172 PolarHBondContact O-N 3.29Å; V168-T172 PolarHBondContact O-OG1 3.13Å; A169-T172 WeakPolarHBondContact CA-OG1 3.49Å; A169-T172 PolarHBondContact O-OG1 3.21Å; A169-T172 VanDerWaalsContact O-OG1 3.04Å; T172-I174 VanDerWaalsContact C-N 3.25Å; T172-I174 PolarHBondContact O-N 3.47Å; T172-P176 VanDerWaalsContact O-CD 3.29Å; T172-P176 WeakPolarHBondContact O-CD 3.39Å; T172-A179 HydrophobicContact CG2-CB 3.48Å; T172-A179 VanDerWaalsContact CG2-CB 3.48Å; T172-L180 HydrophobicContact CG2-CD1 4.44Å; T172-L180 HydrophobicContact CG2-CD2 3.58Å; T172-L180 HydrophobicContact CG2-CG 3.86Å
173M90.8Very high85.3Confident169 Ų16970.9 Ų70.983%0.83340%0.4SS*.Hα-helixtrans-61.2-32.4174-80.1-72.9-151.900112.9A169A169-M173 VanDerWaalsContact O-CG 3.26Å; A169-M173 WeakPolarHBondContact O-CG 3.43Å; A169-M173 PolarHBondContact O-N 3.09Å
174I90.2Very high83.7Confident123 Ų12376.3 Ų76.363%0.63143%0.433SS*.Hα-helixtrans-89.8-46-177.7-70.6166.1000112.1T170 A171 T172 F204T170-I174 PolarHBondContact O-N 3.4Å; A171-I174 PolarHBondContact O-N 3.35Å; T172-I174 VanDerWaalsContact C-N 3.25Å; T172-I174 PolarHBondContact O-N 3.47Å; I174-F204 HydrophobicContact CD1-CE1 3.77Å; I174-F204 HydrophobicContact CD1-CZ 4.06Å
175Q86.1Confident82.4Confident79 Ų7978.5 Ų78.537%0.36944%0.441SS..  trans-149.790.5176.6-165.6169.2-0.100111.2A171 E177 L178 A179 Y200A171-Q175 PolarHBondContact O-N 3.03Å; Q175-E177 HydrophobicContact CG-CB 4.44Å; Q175-E177 PolarHBondContact O-N 3.26Å; Q175-L178 HydrophobicContact CG-CB 4.38Å; Q175-L178 HydrophobicContact CG-CD1 4.4Å; Q175-L178 HydrophobicContact CG-CG 4.24Å; Q175-L178 PolarHBondContact O-N 3.04Å; Q175-A179 PolarHBondContact O-N 2.87Å; Q175-A179 VanDerWaalsContact O-N 3.17Å; Q175-Y200 HydrophobicContact CB-CE1 4.48Å; Q175-Y200 HydrophobicContact CB-CE2 4.45Å; Q175-Y200 WeakPolarHBondContact CB-OH 3.39Å; Q175-Y200 PolarHBondContact N-OH 3.01Å
176P84.9Confident81.1Confident66 Ų6681.5 Ų81.543%0.42945%0.448SS..Hα-helixtrans-64.6-30.3-177.326-33000111.9T172 L178 A179 L180T172-P176 VanDerWaalsContact O-CD 3.29Å; T172-P176 WeakPolarHBondContact O-CD 3.39Å; P176-L178 PolarHBondContact O-N 3.13Å; P176-A179 PolarHBondContact O-N 3.27Å; P176-L180 HydrophobicContact CB-CD1 4.18Å; P176-L180 WeakPolarHBondContact O-CB 3.45Å; P176-L180 PolarHBondContact O-N 2.77Å
177E81.9Confident79.9Confident152 Ų15282.6 Ų82.671%0.7147%0.471SS*.Hα-helixtrans-63.2-20177.5-61.8-176.7170.800114.6Q175 L181Q175-E177 HydrophobicContact CG-CB 4.44Å; Q175-E177 PolarHBondContact O-N 3.26Å; E177-L181 VanDerWaalsContact O-CG 3.22Å; E177-L181 WeakPolarHBondContact O-CG 3.28Å
178L81.9Confident78.9Confident27 Ų2791.2 Ų91.214%0.14151%0.513CS..Hα-helixtrans-102.7-33.3172.2-72.9179.7000112.5Q175 P176 L181 L195 S197 Y200Q175-L178 HydrophobicContact CG-CB 4.38Å; Q175-L178 HydrophobicContact CG-CD1 4.4Å; Q175-L178 HydrophobicContact CG-CG 4.24Å; Q175-L178 PolarHBondContact O-N 3.04Å; P176-L178 PolarHBondContact O-N 3.13Å; L178-L181 HydrophobicContact CD2-CD1 4.18Å; L178-L195 HydrophobicContact CD1-CD2 3.68Å; L178-S197 WeakPolarHBondContact O-CA 3.22Å; L178-S197 WeakPolarHBondContact O-CB 3.23Å; L178-Y200 HydrophobicContact CB-CD1 3.7Å; L178-Y200 HydrophobicContact CB-CD2 4.45Å; L178-Y200 HydrophobicContact CB-CE1 4Å; L178-Y200 HydrophobicContact CB-CG 3.96Å; L178-Y200 HydrophobicContact CD1-CD2 3.92Å; L178-Y200 HydrophobicContact CD1-CE2 4.28Å; L178-Y200 HydrophobicContact CD1-CG 4.13Å
179A81.9Confident77.7Confident11 Ų1192.6 Ų92.69%0.09152%0.519CS..Hα-helixtrans-74.8-33.6-178.600000113.7A171 T172 Q175 P176 Y200 L201A171-A179 HydrophobicContact CB-CB 4.1Å; T172-A179 HydrophobicContact CG2-CB 3.48Å; T172-A179 VanDerWaalsContact CG2-CB 3.48Å; Q175-A179 PolarHBondContact O-N 2.87Å; Q175-A179 VanDerWaalsContact O-N 3.17Å; P176-A179 PolarHBondContact O-N 3.27Å; A179-Y200 HydrophobicContact CB-CE1 4.12Å; A179-L201 HydrophobicContact CB-CD2 4.41Å
180L80.3Confident76.3Confident118 Ų11896.1 Ų96.162%0.61854%0.535SS*.THydrogen-bonded Turntrans-102.415.5-173.2-59.5178.9000114.1T172 P176 P182T172-L180 HydrophobicContact CG2-CD1 4.44Å; T172-L180 HydrophobicContact CG2-CD2 3.58Å; T172-L180 HydrophobicContact CG2-CG 3.86Å; P176-L180 HydrophobicContact CB-CD1 4.18Å; P176-L180 WeakPolarHBondContact O-CB 3.45Å; P176-L180 PolarHBondContact O-N 2.77Å; L180-P182 VanDerWaalsContact O-CD 3.23Å; L180-P182 WeakPolarHBondContact O-CD 3.12Å
181L74.8Confident74.9Confident88 Ų8899.9 Ų99.946%0.46155%0.546SS..  trans-64.7113.4176.1-72.6169.3000110.3E177 L178 S183E177-L181 VanDerWaalsContact O-CG 3.22Å; E177-L181 WeakPolarHBondContact O-CG 3.28Å; L178-L181 HydrophobicContact CD2-CD1 4.18Å; L181-S183 PolarHBondContact O-N 2.92Å
182P66.6Low73.5Confident104 Ų104106.4 Ų106.468%0.67559%0.586SS**  trans-67.8122.3179.728.7-33.8000109.3L180 T184L180-P182 VanDerWaalsContact O-CD 3.23Å; L180-P182 WeakPolarHBondContact O-CD 3.12Å; P182-T184 PolarHBondContact O-N 3.46Å
183S61.5Low72.2Confident105 Ų105108.7 Ų108.773%0.73460%0.6SS**  trans-78.657.2-176.762.10000112.4L181 M185L181-S183 PolarHBondContact O-N 2.92Å; S183-M185 PolarHBondContact O-N 3.04Å
184T58.1Low70.8Confident115 Ų115108.8 Ų108.871%0.70660%0.604SS**  trans-77.158.717159.90000110.3P182P182-T184 PolarHBondContact O-N 3.46Å
185M62.2Low69.7Low114 Ų114106 Ų10656%0.56259%0.59SS**  trans-111119.8178.8-65.4-78.986.600108.9S183S183-M185 PolarHBondContact O-N 3.04Å
186N65.1Low69.3Low124 Ų124104.8 Ų104.866%0.66359%0.588SS**  trans-75.5146.6174.2-61.5-18.9000109M188 D189N186-M188 PolarHBondContact O-N 3.31Å; N186-D189 PolarHBondContact O-N 3.1Å
187C67.9Low69Low131 Ų131103.1 Ų103.189%0.88558%0.578SS**THydrogen-bonded Turntrans-58.7-13-176.1-151.70000114.6
188M70.1Confident68.9Low182 Ų18296.6 Ų96.690%0.89755%0.552SS**THydrogen-bonded Turntrans-97.5-10.8179.6-58.7-60.1-63.200114.8N186N186-M188 PolarHBondContact O-N 3.31Å
189D63.8Low68.8Low83 Ų8399.5 Ų99.544%0.44456%0.564SS.*  trans-120.667-165.7-163.47.1000111.9N186 K191N186-D189 PolarHBondContact O-N 3.1Å; D189-K191 PolarHBondContact O-N 3.2Å
190V62.6Low69Low125 Ų12599.8 Ų99.876%0.75856%0.563SS**  trans-84.193.6-174.1-1760000111.1T192V190-T192 PolarHBondContact O-N 3.44Å
191K62.3Low69.3Low143 Ų14395.7 Ų95.762%0.62254%0.542SS*.  trans-79.3117.5170.9-72.3177.6-178.5168.90111.3D189 T193D189-K191 PolarHBondContact O-N 3.2Å; K191-T193 PolarHBondContact O-N 2.88Å
192T59.9Low69.9Low138 Ų13892.1 Ų92.185%0.84752%0.524SS*.  trans-7799.1177.239.30000111.7V190V190-T192 PolarHBondContact O-N 3.44Å
193T63.1Low70.8Confident86 Ų8694.9 Ų94.953%0.52852%0.521SS..  trans-103.6148.8167.259.30000111K191 L195K191-T193 PolarHBondContact O-N 2.88Å; T193-L195 PolarHBondContact O-N 3.05Å; T193-L195 PolarHBondContact OG1-O 3.06Å
194N62.3Low72.1Confident170 Ų17091.7 Ų91.791%0.90949%0.494SS*.SBendtrans-69.2-15.6-174.8-68.6-7.1000114.4
195L67.2Low73.5Confident65 Ų6587 Ų8734%0.3446%0.464SS..SBendtrans-147.7120.2172.6-175.365.5000107.9L178 T193 Q199L178-L195 HydrophobicContact CD1-CD2 3.68Å; T193-L195 PolarHBondContact O-N 3.05Å; T193-L195 PolarHBondContact OG1-O 3.06Å; L195-Q199 HydrophobicContact CD1-CB 4.12Å
196T75.9Confident74.7Confident53 Ų5382.9 Ų82.933%0.32545%0.449SS..  trans-98.3156.7175.161.70000111G198 Q199 Y200T196-G198 PolarHBondContact O-N 2.81Å; T196-Q199 PolarHBondContact O-N 2.9Å; T196-Q199 VanDerWaalsContact O-N 3.1Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.28Å; T196-Q199 PolarHBondContact OG1-N 3.33Å; T196-Y200 PolarHBondContact O-N 2.9Å
197S78.6Confident75.7Confident32 Ų3283.5 Ų83.522%0.22445%0.452CS..Hα-helixtrans-52.8-40.3171.8500000111.9L178 Y200 L201L178-S197 WeakPolarHBondContact O-CA 3.22Å; L178-S197 WeakPolarHBondContact O-CB 3.23Å; S197-Y200 PolarHBondContact O-N 3.05Å; S197-L201 WeakPolarHBondContact O-CB 3.43Å; S197-L201 VanDerWaalsContact O-CG 3.29Å; S197-L201 WeakPolarHBondContact O-CG 3.47Å; S197-L201 PolarHBondContact O-N 2.91Å
198G79.8Confident76.7Confident15 Ų1578 Ų7816%0.15541%0.414CS..Hα-helixtrans-60.8-44.7174.600000114.1T196 Y200 S202T196-G198 PolarHBondContact O-N 2.81Å; G198-Y200 VanDerWaalsContact C-N 3.33Å; G198-S202 WeakPolarHBondContact O-CB 3.38Å; G198-S202 PolarHBondContact O-N 3.29Å; G198-S202 PolarHBondContact O-OG 2.82Å
199Q80.9Confident77.5Confident88 Ų8873.8 Ų73.841%0.41140%0.399SS..Hα-helixtrans-68.5-30.9176-75.7174.9-10.600113.2L195 T196 S202L195-Q199 HydrophobicContact CD1-CB 4.12Å; T196-Q199 PolarHBondContact O-N 2.9Å; T196-Q199 VanDerWaalsContact O-N 3.1Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.28Å; T196-Q199 PolarHBondContact OG1-N 3.33Å; Q199-S202 WeakPolarHBondContact CA-OG 3.3Å; Q199-S202 PolarHBondContact O-OG 2.93Å; Q199-S202 VanDerWaalsContact O-OG 3.04Å
200Y85.8Confident78.7Confident16 Ų1670.4 Ų70.46%0.06338%0.381CS..Hα-helixtrans-68.3-54.8173.3178.7-108.5000110.1A171 Q175 L178 A179 T196 S197 G198 S202 R203 F204A171-Y200 HydrophobicContact CB-CD1 4.39Å; A171-Y200 HydrophobicContact CB-CE1 3.79Å; A171-Y200 PolarHBondContact O-OH 2.81Å; Q175-Y200 HydrophobicContact CB-CE1 4.48Å; Q175-Y200 HydrophobicContact CB-CE2 4.45Å; Q175-Y200 WeakPolarHBondContact CB-OH 3.39Å; Q175-Y200 PolarHBondContact N-OH 3.01Å; L178-Y200 HydrophobicContact CB-CD1 3.7Å; L178-Y200 HydrophobicContact CB-CD2 4.45Å; L178-Y200 HydrophobicContact CB-CE1 4Å; L178-Y200 HydrophobicContact CB-CG 3.96Å; L178-Y200 HydrophobicContact CD1-CD2 3.92Å; L178-Y200 HydrophobicContact CD1-CE2 4.28Å; L178-Y200 HydrophobicContact CD1-CG 4.13Å; A179-Y200 HydrophobicContact CB-CE1 4.12Å; T196-Y200 PolarHBondContact O-N 2.9Å; S197-Y200 PolarHBondContact O-N 3.05Å; G198-Y200 VanDerWaalsContact C-N 3.33Å; Y200-S202 PolarHBondContact O-N 2.84Å; Y200-R203 WeakPolarHBondContact O-CB 3.31Å; Y200-R203 PolarHBondContact O-N 2.89Å; Y200-F204 HydrophobicContact CD1-CE2 4.26Å; Y200-F204 HydrophobicContact CD2-CE2 4.12Å; Y200-F204 AromaticContact CE1-CE2 3.84Å; Y200-F204 HydrophobicContact CE1-CE2 3.84Å; Y200-F204 AromaticContact CE2-CE2 3.68Å; Y200-F204 HydrophobicContact CE2-CE2 3.68Å; Y200-F204 HydrophobicContact CE2-CZ 4.18Å; Y200-F204 HydrophobicContact CG-CE2 4.38Å; Y200-F204 AromaticContact CZ-CE2 3.49Å; Y200-F204 VanDerWaalsContact CZ-CE2 3.49Å; Y200-F204 AromaticContact CZ-CZ 3.93Å; Y200-F204 WeakPolarHBondContact O-CD2 3.35Å
201L87Confident79.7Confident33 Ų3372 Ų7217%0.17337%0.373CS..Hα-helixtrans-60.2-37.5179.6-71.6170.1000113.6V168 A171 A179 S197 R203 F204 L205V168-L201 HydrophobicContact CG2-CD2 4.12Å; A171-L201 HydrophobicContact CB-CD2 3.58Å; A179-L201 HydrophobicContact CB-CD2 4.41Å; S197-L201 WeakPolarHBondContact O-CB 3.43Å; S197-L201 VanDerWaalsContact O-CG 3.29Å; S197-L201 WeakPolarHBondContact O-CG 3.47Å; S197-L201 PolarHBondContact O-N 2.91Å; L201-R203 PolarHBondContact O-N 3.42Å; L201-R203 VanDerWaalsContact O-N 3.16Å; L201-F204 PolarHBondContact O-N 3.22Å; L201-L205 PolarHBondContact O-N 3.47Å
202S86.5Confident80.5Confident13 Ų1366 Ų669%0.09135%0.352CS..Hα-helixtrans-60.5-26.3178.858.40000113.8P3 G198 Q199 Y200 A206P3-S202 VanDerWaalsContact O-CB 3.22Å; P3-S202 WeakPolarHBondContact O-CB 3.4Å; G198-S202 WeakPolarHBondContact O-CB 3.38Å; G198-S202 PolarHBondContact O-N 3.29Å; G198-S202 PolarHBondContact O-OG 2.82Å; Q199-S202 WeakPolarHBondContact CA-OG 3.3Å; Q199-S202 PolarHBondContact O-OG 2.93Å; Q199-S202 VanDerWaalsContact O-OG 3.04Å; Y200-S202 PolarHBondContact O-N 2.84Å; S202-A206 WeakPolarHBondContact O-CB 3.46Å; S202-A206 PolarHBondContact O-N 2.88Å; S202-A206 VanDerWaalsContact O-N 3.09Å
203R86.6Confident81.6Confident162 Ų16263.9 Ų63.961%0.61134%0.335SS*.Hα-helixtrans-71.3-33.4175.6-63.3176.1-175.3-179.31112.2Y200 L201 N207Y200-R203 WeakPolarHBondContact O-CB 3.31Å; Y200-R203 PolarHBondContact O-N 2.89Å; L201-R203 PolarHBondContact O-N 3.42Å; L201-R203 VanDerWaalsContact O-N 3.16Å; R203-N207 WeakPolarHBondContact O-CB 3.32Å; R203-N207 PolarHBondContact O-N 3.38Å
204F88.8Confident82.2Confident37 Ų3760.1 Ų60.116%0.16231%0.312CS..Hα-helixtrans-74.3-46.5175.7-66.8-83.5000110.5A167 A171 I174 Y200 L201 A206 N207 T208A167-F204 HydrophobicContact CB-CB 4.09Å; A171-F204 HydrophobicContact CB-CB 4.4Å; A171-F204 HydrophobicContact CB-CD1 4.31Å; A171-F204 HydrophobicContact CB-CD2 3.49Å; A171-F204 VanDerWaalsContact CB-CD2 3.49Å; A171-F204 HydrophobicContact CB-CE2 3.79Å; A171-F204 HydrophobicContact CB-CG 3.78Å; A171-F204 HydrophobicContact CB-CZ 4.31Å; I174-F204 HydrophobicContact CD1-CE1 3.77Å; I174-F204 HydrophobicContact CD1-CZ 4.06Å; Y200-F204 HydrophobicContact CD1-CE2 4.26Å; Y200-F204 HydrophobicContact CD2-CE2 4.12Å; Y200-F204 AromaticContact CE1-CE2 3.84Å; Y200-F204 HydrophobicContact CE1-CE2 3.84Å; Y200-F204 AromaticContact CE2-CE2 3.68Å; Y200-F204 HydrophobicContact CE2-CE2 3.68Å; Y200-F204 HydrophobicContact CE2-CZ 4.18Å; Y200-F204 HydrophobicContact CG-CE2 4.38Å; Y200-F204 AromaticContact CZ-CE2 3.49Å; Y200-F204 VanDerWaalsContact CZ-CE2 3.49Å; Y200-F204 AromaticContact CZ-CZ 3.93Å; Y200-F204 WeakPolarHBondContact O-CD2 3.35Å; L201-F204 PolarHBondContact O-N 3.22Å; F204-A206 VanDerWaalsContact C-N 3.27Å; F204-A206 PolarHBondContact O-N 3.06Å; F204-N207 CarbonylContact O-C 3.51Å; F204-N207 PolarHBondContact O-N 3.43Å; F204-T208 PolarHBondContact O-N 2.76Å; F204-T208 PolarHBondContact O-OG1 2.92Å; F204-T208 VanDerWaalsContact O-OG1 3.11Å
205L88.2Confident82.9Confident16 Ų1652.2 Ų52.28%0.08427%0.271CS..Hα-helixtrans-54.8-41.7175.3-70.4163.8000112.3L4 L6 V164 A167 L201 N207 T208 V219L4-L205 HydrophobicContact CD2-CD1 3.93Å; L6-L205 HydrophobicContact CD1-CB 4.4Å; L6-L205 HydrophobicContact CD1-CD1 4.27Å; L6-L205 HydrophobicContact CD1-CD2 4.05Å; L6-L205 HydrophobicContact CD1-CG 4.47Å; V164-L205 HydrophobicContact CG2-CD2 4.04Å; A167-L205 HydrophobicContact CB-CB 4.41Å; A167-L205 HydrophobicContact CB-CD2 3.46Å; A167-L205 VanDerWaalsContact CB-CD2 3.46Å; A167-L205 HydrophobicContact CB-CG 3.76Å; L201-L205 PolarHBondContact O-N 3.47Å; L205-N207 VanDerWaalsContact C-N 3.29Å; L205-N207 PolarHBondContact O-N 3.01Å; L205-T208 PolarHBondContact O-OG1 3.47Å; L205-V219 VanDerWaalsContact O-CG2 3.31Å; L205-V219 WeakPolarHBondContact O-CG2 3.44Å
206A86.3Confident83.4Confident28 Ų2851.2 Ų51.223%0.23127%0.269CS..THydrogen-bonded Turntrans-71.6-17.4177.400000114.7S202 F204S202-A206 WeakPolarHBondContact O-CB 3.46Å; S202-A206 PolarHBondContact O-N 2.88Å; S202-A206 VanDerWaalsContact O-N 3.09Å; F204-A206 VanDerWaalsContact C-N 3.27Å; F204-A206 PolarHBondContact O-N 3.06Å
207N87Confident83.8Confident137 Ų13748.8 Ų48.873%0.73325%0.254SS*.THydrogen-bonded Turntrans-114-2.8-176.1-164.250.1000113.4R203 F204 L205R203-N207 WeakPolarHBondContact O-CB 3.32Å; R203-N207 PolarHBondContact O-N 3.38Å; F204-N207 CarbonylContact O-C 3.51Å; F204-N207 PolarHBondContact O-N 3.43Å; L205-N207 VanDerWaalsContact C-N 3.29Å; L205-N207 PolarHBondContact O-N 3.01Å
208T87.4Confident84Confident15 Ų1551.9 Ų51.99%0.09226%0.264CS..  trans-77.8126.2173.933.30000111.8L163 R166 A167 F204 L205L163-T208 VanDerWaalsContact CD1-OG1 3.27Å; L163-T208 WeakPolarHBondContact CD1-OG1 3.38Å; R166-T208 HydrophobicContact CB-CG2 4.38Å; A167-T208 HydrophobicContact CB-CG2 3.89Å; F204-T208 PolarHBondContact O-N 2.76Å; F204-T208 PolarHBondContact O-OG1 2.92Å; F204-T208 VanDerWaalsContact O-OG1 3.11Å; L205-T208 PolarHBondContact O-OG1 3.47Å
209T88.1Confident84.1Confident94 Ų9451.8 Ų51.858%0.57726%0.26SS*.  trans-131.8136.2171.8600000110I217 K218T209-I217 VanDerWaalsContact CA-O 3.28Å; T209-I217 WeakPolarHBondContact CA-O 3.42Å; T209-K218 HydrophobicContact CG2-CB 4.33Å; T209-K218 HydrophobicContact CG2-CG 3.95Å
210F87.8Confident83.8Confident13 Ų1353.6 Ų53.66%0.05727%0.266CS..EExtended strand (participates in β ladder)trans-158.8164.1177.770.5-74.7000111.5D159 E162 L163 I217D159-F210 HydrophobicContact CB-CZ 4.37Å; D159-F210 WeakPolarHBondContact O-CZ 3.47Å; E162-F210 HydrophobicContact CB-CE2 3.91Å; E162-F210 HydrophobicContact CB-CZ 3.87Å; E162-F210 HydrophobicContact CG-CD2 4.19Å; E162-F210 HydrophobicContact CG-CE2 3.63Å; E162-F210 HydrophobicContact CG-CZ 3.93Å; L163-F210 HydrophobicContact CB-CE1 3.85Å; L163-F210 HydrophobicContact CB-CZ 4.39Å; L163-F210 HydrophobicContact CD1-CD1 4.31Å; L163-F210 HydrophobicContact CD1-CE1 3.86Å; L163-F210 HydrophobicContact CG-CE1 4.49Å; F210-I217 HydrophobicContact CD1-CB 4.05Å; F210-I217 HydrophobicContact CD1-CG2 4.37Å; F210-I217 HydrophobicContact CE1-CB 3.7Å; F210-I217 HydrophobicContact CE1-CG1 4.08Å; F210-I217 HydrophobicContact CE1-CG2 3.74Å; F210-I217 HydrophobicContact CE2-CG1 4.31Å; F210-I217 HydrophobicContact CZ-CB 4.04Å; F210-I217 HydrophobicContact CZ-CG1 3.87Å; F210-I217 HydrophobicContact CZ-CG2 4.27Å; F210-I217 PolarHBondContact N-O 2.99Å; F210-I217 VanDerWaalsContact N-O 3.14Å; F210-I217 PolarHBondContact O-N 3.04Å
211R83.6Confident83.1Confident158 Ų15856.3 Ų56.360%0.59630%0.299SS*.EExtended strand (participates in β ladder)trans-88.9113.8171.7-164.8176.6-165142.513.8109
212G80.6Confident82.3Confident18 Ų1857.1 Ų57.119%0.18631%0.308CS..  trans-100.3-165.8175.600000112.4D159 G215D159-G212 VanDerWaalsContact OD1-CA 3.23Å; D159-G212 WeakPolarHBondContact OD1-CA 3.45Å; G212-G215 PolarHBondContact N-O 2.92Å
213L81.6Confident81.7Confident92 Ų9258.1 Ų58.148%0.48231%0.313SS..SBendtrans-78.8-31.6177.1-65.2-176.8000113Y155 Q158 D159Y155-L213 HydrophobicContact CD1-CB 4.2Å; Y155-L213 HydrophobicContact CD1-CD1 3.79Å; Y155-L213 HydrophobicContact CD2-CB 4.13Å; Y155-L213 HydrophobicContact CE1-CD1 4.2Å; Y155-L213 HydrophobicContact CG-CB 3.79Å; Y155-L213 HydrophobicContact CG-CD1 4.26Å; Q158-L213 HydrophobicContact CG-CD1 4.41Å; D159-L213 PolarHBondContact OD1-N 3.34Å; D159-L213 PolarHBondContact OD2-N 2.69Å; D159-L213 VanDerWaalsContact OD2-N 3.14Å
214S76.4Confident81.4Confident8 Ų854.2 Ų54.26%0.05630%0.304CS..SBendtrans-86.3-8.5178.4690000113.8Y156 D159 S227Y156-S214 WeakPolarHBondContact CD1-OG 3.11Å; D159-S214 VanDerWaalsContact OD2-CB 3.28Å; D159-S214 WeakPolarHBondContact OD2-CB 3.45Å; D159-S214 PolarHBondContact OD2-N 2.56Å; D159-S214 PolarHBondContact OD2-OG 2.71Å; S214-S227 PolarHBondContact O-OG 3.42Å
215G76.3Confident81Confident4 Ų452.9 Ų52.94%0.04130%0.299CS..SBendtrans143.6-155.4176.900000113.9G212 I217 S227G212-G215 PolarHBondContact N-O 2.92Å; G215-I217 PolarHBondContact O-N 3.43Å; G215-S227 WeakPolarHBondContact CA-OG 3.31Å; G215-S227 PolarHBondContact N-OG 3.2Å
216S78.8Confident80.3Confident43 Ų4352.3 Ų52.330%0.30130%0.296SS..EExtended strand (participates in β ladder)trans-83.6110.6172.7-165.90000109.2S227 E228S216-S227 CarbonylContact O-C 3.6Å; S216-S227 WeakPolarHBondContact O-CA 3.35Å; S216-E228 VanDerWaalsContact CB-OE2 3.25Å; S216-E228 WeakPolarHBondContact CB-OE2 3.42Å; S216-E228 PolarHBondContact O-N 3.21Å; S216-E228 PolarHBondContact OG-OE2 3.26Å
217I83.8Confident79.7Confident3 Ų351.3 Ų51.32%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-86.6125.5-176.6-55-58.8000110.2D159 L163 T209 F210 G215 I225D159-I217 HydrophobicContact CB-CD1 4.06Å; D159-I217 HydrophobicContact CB-CG1 4.09Å; L163-I217 HydrophobicContact CD1-CG2 4.15Å; T209-I217 VanDerWaalsContact CA-O 3.28Å; T209-I217 WeakPolarHBondContact CA-O 3.42Å; F210-I217 HydrophobicContact CD1-CB 4.05Å; F210-I217 HydrophobicContact CD1-CG2 4.37Å; F210-I217 HydrophobicContact CE1-CB 3.7Å; F210-I217 HydrophobicContact CE1-CG1 4.08Å; F210-I217 HydrophobicContact CE1-CG2 3.74Å; F210-I217 HydrophobicContact CE2-CG1 4.31Å; F210-I217 HydrophobicContact CZ-CB 4.04Å; F210-I217 HydrophobicContact CZ-CG1 3.87Å; F210-I217 HydrophobicContact CZ-CG2 4.27Å; F210-I217 PolarHBondContact N-O 2.99Å; F210-I217 VanDerWaalsContact N-O 3.14Å; F210-I217 PolarHBondContact O-N 3.04Å; G215-I217 PolarHBondContact O-N 3.43Å; I217-I225 HydrophobicContact CG2-CG2 3.7Å
218K82.9Confident78.9Confident96 Ų9646.8 Ų46.842%0.41726%0.262SS..EExtended strand (participates in β ladder)trans-142.8146.7-179.7-172.7171.6-174.8175.80110.3T209 S226T209-K218 HydrophobicContact CG2-CB 4.33Å; T209-K218 HydrophobicContact CG2-CG 3.95Å; K218-S226 PolarHBondContact N-O 2.88Å; K218-S226 PolarHBondContact O-N 3.42Å; K218-S226 PolarHBondContact O-OG 2.78Å; K218-S226 VanDerWaalsContact O-OG 3.07Å
219V82.7Confident77.9Confident14 Ų1447.7 Ų47.79%0.08527%0.266CS..EExtended strand (participates in β ladder)trans-104.1126.8174.6-175.30000109.7L6 L163 L205 I224 I225L6-V219 HydrophobicContact CD2-CG1 4.46Å; L163-V219 HydrophobicContact CD1-CG2 4.36Å; L163-V219 HydrophobicContact CD2-CG2 4.12Å; L205-V219 VanDerWaalsContact O-CG2 3.31Å; L205-V219 WeakPolarHBondContact O-CG2 3.44Å; V219-I224 CarbonylContact C-O 3.56Å; V219-I224 WeakPolarHBondContact CA-O 3.43Å; V219-I225 HydrophobicContact CG2-CG1 4.22Å
220K73.5Confident77.2Confident125 Ų12545.3 Ų45.354%0.54325%0.25SC..EExtended strand (participates in β ladder)trans-96.6122.7177.7-164175-171.2173.10109.6L14 S222 I224L14-K220 HydrophobicContact CD1-CD 4.05Å; L14-K220 HydrophobicContact CD2-CD 4.13Å; L14-K220 HydrophobicContact CG-CD 4.48Å; K220-S222 PolarHBondContact O-N 3.27Å; K220-I224 PolarHBondContact N-O 2.98Å
221G72.5Confident76.8Confident73 Ų7344.7 Ų44.775%0.75325%0.247SC*.THydrogen-bonded Turntrans72-92.7-175.400000111.6
222S69.4Low77Confident51 Ų5139.6 Ų39.636%0.35723%0.229SC..THydrogen-bonded Turntrans-157.8-2.7177.457.90000115.3K220K220-S222 PolarHBondContact O-N 3.27Å
223T73.6Confident77.3Confident33 Ų3339 Ų3920%0.20222%0.222CC..THydrogen-bonded Turntrans-135.6-18.6-171.455.10000114.9H5 L6 Q7H5-T223 VanDerWaalsContact O-CB 3.31Å; H5-T223 WeakPolarHBondContact O-CB 3.49Å; H5-T223 WeakPolarHBondContact O-CG2 3.41Å; L6-T223 CarbonylContact C-O 3.56Å; L6-T223 WeakPolarHBondContact CA-O 3.22Å; Q7-T223 PolarHBondContact N-O 3.44Å
224I80.6Confident77.5Confident80 Ų8035.4 Ų35.441%0.4120%0.202SC..EExtended strand (participates in β ladder)trans-101.5114.9-178.5-60.6174.2000108.5Q7 V219 K220Q7-I224 WeakPolarHBondContact O-CA 3.36Å; V219-I224 CarbonylContact C-O 3.56Å; V219-I224 WeakPolarHBondContact CA-O 3.43Å; K220-I224 PolarHBondContact N-O 2.98Å
225I80.2Confident78Confident10 Ų1035.2 Ų35.25%0.05120%0.2CC..EExtended strand (participates in β ladder)trans-84.9130.5166.7-47.8167.7000107.3L6 Q7 L8 L163 I217 V219L6-I225 HydrophobicContact CB-CD1 3.87Å; L6-I225 HydrophobicContact CB-CG1 4.2Å; L6-I225 HydrophobicContact CD1-CD1 4.28Å; L6-I225 HydrophobicContact CD2-CG1 4.21Å; L6-I225 HydrophobicContact CG-CD1 4.46Å; Q7-I225 PolarHBondContact O-N 3.29Å; L8-I225 HydrophobicContact CB-CB 4.22Å; L8-I225 HydrophobicContact CB-CD1 4.35Å; L8-I225 HydrophobicContact CD1-CB 3.89Å; L8-I225 HydrophobicContact CD1-CG2 3.8Å; L163-I225 HydrophobicContact CD2-CD1 3.5Å; L163-I225 VanDerWaalsContact CD2-CD1 3.5Å; L163-I225 HydrophobicContact CD2-CG1 3.83Å; L163-I225 HydrophobicContact CD2-CG2 4.25Å; I217-I225 HydrophobicContact CG2-CG2 3.7Å; V219-I225 HydrophobicContact CG2-CG1 4.22Å
226S73.9Confident78.4Confident4 Ų435 Ų353%0.02820%0.198CC..EExtended strand (participates in β ladder)trans-120.1135.5172.454.40000109.8L14 K218L14-S226 VanDerWaalsContact CD1-CB 3.49Å; K218-S226 PolarHBondContact N-O 2.88Å; K218-S226 PolarHBondContact O-N 3.42Å; K218-S226 PolarHBondContact O-OG 2.78Å; K218-S226 VanDerWaalsContact O-OG 3.07Å
227S73.9Confident78.4Confident6 Ų635 Ų354%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-90.5136158-167.30000109.4S214 G215 S216 N229S214-S227 PolarHBondContact O-OG 3.42Å; G215-S227 WeakPolarHBondContact CA-OG 3.31Å; G215-S227 PolarHBondContact N-OG 3.2Å; S216-S227 CarbonylContact O-C 3.6Å; S216-S227 WeakPolarHBondContact O-CA 3.35Å; S227-N229 PolarHBondContact O-N 3.43Å
228E70.2Confident78Confident43 Ų4340.5 Ų40.520%0.20122%0.219CC..EExtended strand (participates in β ladder)trans-80.2111165.4-59.3173.7172.800108.6S216 N230S216-E228 VanDerWaalsContact CB-OE2 3.25Å; S216-E228 WeakPolarHBondContact CB-OE2 3.42Å; S216-E228 PolarHBondContact O-N 3.21Å; S216-E228 PolarHBondContact OG-OE2 3.26Å; E228-N230 PolarHBondContact O-N 3.41Å
229N65.8Low77.5Confident33 Ų3338.3 Ų38.318%0.17621%0.211CC..PPolyproline II helixtrans-67.5127.1174-73.2-15.1000110S227 F231S227-N229 PolarHBondContact O-N 3.43Å; N229-F231 HydrophobicContact CB-CE2 4.46Å; N229-F231 WeakPolarHBondContact O-CD2 3.39Å; N229-F231 PolarHBondContact O-N 3.45Å
230N73.1Confident76.8Confident45 Ų4544.1 Ų44.124%0.24125%0.249CC..PPolyproline II helixtrans-71.9121.5168-50.3-71.1000108.2T148 E228T148-N230 WeakPolarHBondContact CB-O 3.48Å; T148-N230 PolarHBondContact N-O 2.57Å; T148-N230 PolarHBondContact OG1-O 2.96Å; E228-N230 PolarHBondContact O-N 3.41Å
231F80.7Confident76.6Confident0 Ų045.8 Ų45.80%026%0.261CS..EExtended strand (participates in β ladder)trans-90.7144.7166.1-67.8-107.3000109.3D17 V20 H145 G146 K147 N229 S251 W252D17-F231 VanDerWaalsContact OD1-CE1 3.28Å; D17-F231 WeakPolarHBondContact OD1-CE1 3.45Å; D17-F231 WeakPolarHBondContact OD1-CZ 3.28Å; V20-F231 HydrophobicContact CG1-CB 4.34Å; V20-F231 HydrophobicContact CG2-CB 4.18Å; V20-F231 HydrophobicContact CG2-CD1 4.02Å; V20-F231 HydrophobicContact CG2-CD2 3.64Å; V20-F231 HydrophobicContact CG2-CE1 4.21Å; V20-F231 HydrophobicContact CG2-CE2 3.88Å; V20-F231 HydrophobicContact CG2-CG 3.7Å; V20-F231 HydrophobicContact CG2-CZ 4.14Å; H145-F231 AromaticContact CD2-CD1 3.75Å; G146-F231 CarbonylContact O-C 3.58Å; G146-F231 WeakPolarHBondContact O-CA 3.34Å; G146-F231 WeakPolarHBondContact O-CB 3.5Å; K147-F231 HydrophobicContact CD-CE1 4.29Å; K147-F231 HydrophobicContact CD-CZ 4.47Å; K147-F231 HydrophobicContact CG-CD1 3.84Å; K147-F231 HydrophobicContact CG-CE1 3.42Å; K147-F231 VanDerWaalsContact CG-CE1 3.42Å; K147-F231 HydrophobicContact CG-CZ 3.87Å; N229-F231 HydrophobicContact CB-CE2 4.46Å; N229-F231 WeakPolarHBondContact O-CD2 3.39Å; N229-F231 PolarHBondContact O-N 3.45Å; F231-S251 CarbonylContact O-C 3.54Å; F231-S251 WeakPolarHBondContact O-CA 3.41Å; F231-W252 HydrophobicContact CB-CB 4.15Å; F231-W252 HydrophobicContact CD2-CE3 4.41Å; F231-W252 PolarHBondContact O-N 3.07Å
232F85.8Confident76.5Confident50 Ų5044.8 Ų44.822%0.21925%0.251CS..EExtended strand (participates in β ladder)trans-99.7152.8164.8-66.2-50.5000109.9H145 G146 T148 W234 R248 G250H145-F232 CarbonylContact C-O 3.54Å; H145-F232 VanDerWaalsContact CA-O 3.3Å; H145-F232 WeakPolarHBondContact CA-O 3.41Å; G146-F232 PolarHBondContact N-O 3.37Å; G146-F232 PolarHBondContact O-N 3.44Å; T148-F232 HydrophobicContact CG2-CE2 4Å; T148-F232 WeakPolarHBondContact OG1-CE2 3.43Å; F232-W234 HydrophobicContact CB-CH2 3.98Å; F232-W234 HydrophobicContact CB-CZ2 3.45Å; F232-W234 VanDerWaalsContact CB-CZ2 3.45Å; F232-W234 HydrophobicContact CD2-CZ2 4.15Å; F232-W234 HydrophobicContact CG-CZ2 4.28Å; F232-R248 HydrophobicContact CB-CG 4.33Å; F232-G250 WeakPolarHBondContact CA-O 3.16Å
233I87.9Confident76.7Confident6 Ų649.1 Ų49.13%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-118.3132.9176.9-58.8169000107.2I24 I143 H145 L249 G250 I257I24-I233 HydrophobicContact CD1-CD1 4.16Å; I24-I233 HydrophobicContact CD1-CG1 4.25Å; I24-I233 HydrophobicContact CD1-CG2 4.23Å; I24-I233 HydrophobicContact CG1-CD1 3.89Å; I143-I233 HydrophobicContact CG2-CG2 3.94Å; H145-I233 HydrophobicContact CB-CG1 4.22Å; I233-L249 HydrophobicContact CG2-CB 4.33Å; I233-L249 HydrophobicContact CG2-CD1 3.93Å; I233-L249 PolarHBondContact O-N 2.85Å; I233-G250 PolarHBondContact N-O 2.99Å; I233-I257 HydrophobicContact CD1-CB 4.42Å; I233-I257 HydrophobicContact CD1-CD1 3.58Å; I233-I257 HydrophobicContact CD1-CG1 3.7Å; I233-I257 HydrophobicContact CD1-CG2 3.87Å
234W86.8Confident77.1Confident17 Ų1750.1 Ų50.16%0.06427%0.27CS..EExtended strand (participates in β ladder)trans-125.9155.6179.9-53.5-85000111.6V130 L133 I143 A144 G146 F232 W246 T247V130-W234 HydrophobicContact CG2-CH2 3.41Å; V130-W234 VanDerWaalsContact CG2-CH2 3.41Å; V130-W234 HydrophobicContact CG2-CZ2 3.3Å; V130-W234 HydrophobicContact CG2-CZ3 4.32Å; L133-W234 HydrophobicContact CD1-CE3 3.94Å; L133-W234 HydrophobicContact CD1-CZ3 4.19Å; I143-W234 WeakPolarHBondContact CA-O 3.46Å; A144-W234 PolarHBondContact N-O 2.92Å; A144-W234 PolarHBondContact O-N 2.94Å; A144-W234 VanDerWaalsContact O-O 3.14Å; G146-W234 VanDerWaalsContact CA-CZ3 3.49Å; G146-W234 VanDerWaalsContact N-CZ3 3.29Å; F232-W234 HydrophobicContact CB-CH2 3.98Å; F232-W234 HydrophobicContact CB-CZ2 3.45Å; F232-W234 VanDerWaalsContact CB-CZ2 3.45Å; F232-W234 HydrophobicContact CD2-CZ2 4.15Å; F232-W234 HydrophobicContact CG-CZ2 4.28Å; W234-W246 HydrophobicContact CB-CE3 3.73Å; W234-W246 HydrophobicContact CB-CZ3 4.34Å; W234-T247 CarbonylContact C-O 3.31Å; W234-T247 VanDerWaalsContact CA-O 3.23Å; W234-T247 WeakPolarHBondContact CA-O 3.39Å
235N86.9Confident77.2Confident4 Ų451 Ų512%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-131.4133.4174.8176.7-8.2000108.6G141 L142 Q237 T247 L249G141-N235 VanDerWaalsContact CA-OD1 3.26Å; G141-N235 WeakPolarHBondContact CA-OD1 3.36Å; L142-N235 WeakPolarHBondContact O-CA 3.42Å; N235-Q237 HydrophobicContact CB-CG 4.28Å; N235-Q237 PolarHBondContact ND2-NE2 2.6Å; N235-Q237 VanDerWaalsContact ND2-NE2 3.16Å; N235-Q237 PolarHBondContact O-N 2.78Å; N235-T247 PolarHBondContact N-O 3.07Å; N235-T247 PolarHBondContact O-N 3.45Å; N235-L249 HydrophobicContact CB-CD1 3.58Å; N235-L249 HydrophobicContact CB-CD2 3.84Å; N235-L249 HydrophobicContact CB-CG 3.77Å
236L84.3Confident77.4Confident0 Ų052.1 Ų52.10%028%0.277CS..EExtended strand (participates in β ladder)trans-77.6105.2176.4-173.655.7000110.3T135 L138 L140 G141 L142 P244 W246T135-L236 HydrophobicContact CG2-CD1 3.74Å; L138-L236 HydrophobicContact CB-CD2 3.42Å; L138-L236 VanDerWaalsContact CB-CD2 3.42Å; L138-L236 HydrophobicContact CD1-CD2 4.37Å; L140-L236 CarbonylContact C-O 3.49Å; L140-L236 WeakPolarHBondContact CA-O 3.44Å; G141-L236 PolarHBondContact N-O 2.86Å; L142-L236 HydrophobicContact CB-CB 4.38Å; L142-L236 PolarHBondContact O-N 2.99Å; L142-L236 VanDerWaalsContact O-N 3.11Å; L236-P244 HydrophobicContact CD1-CB 4.05Å; L236-W246 HydrophobicContact CB-CD2 4.16Å; L236-W246 HydrophobicContact CB-CE3 3.97Å; L236-W246 HydrophobicContact CB-CH2 4.07Å; L236-W246 HydrophobicContact CB-CZ2 4.22Å; L236-W246 HydrophobicContact CB-CZ3 3.93Å; L236-W246 HydrophobicContact CD1-CD2 4.13Å; L236-W246 HydrophobicContact CD1-CG 4.22Å; L236-W246 HydrophobicContact CD2-CZ2 4.37Å
237Q78.3Confident77.9Confident43 Ų4353.5 Ų53.520%0.20129%0.285CS..EExtended strand (participates in β ladder)trans-120.6177-175-63.2-178.4-200111.2N235 P244 M245N235-Q237 HydrophobicContact CB-CG 4.28Å; N235-Q237 PolarHBondContact ND2-NE2 2.6Å; N235-Q237 VanDerWaalsContact ND2-NE2 3.16Å; N235-Q237 PolarHBondContact O-N 2.78Å; Q237-P244 CarbonylContact O-C 3.33Å; Q237-P244 WeakPolarHBondContact O-CA 3.46Å; Q237-M245 PolarHBondContact N-O 3.03Å; Q237-M245 PolarHBondContact O-N 2.83Å
238H75.9Confident78.3Confident118 Ų11858.3 Ų58.355%0.54630%0.302SS..EExtended strand (participates in β ladder)trans-83.9126.7166.4-68.9118000110.6L140 K243L140-H238 WeakPolarHBondContact CD1-CE1 3.02Å; H238-K243 CarbonylContact C-O 3.5Å; H238-K243 WeakPolarHBondContact CA-O 3.33Å
239D72.4Confident78.9Confident50 Ų5056.3 Ų56.327%0.26729%0.293SS..  trans-61.3150.8156.8167.580.6000110M241 G242 K243 M245D239-M241 PolarHBondContact O-N 3.33Å; D239-M241 VanDerWaalsContact OD2-CB 3.27Å; D239-M241 WeakPolarHBondContact OD2-CB 3.38Å; D239-M241 PolarHBondContact OD2-N 2.92Å; D239-G242 PolarHBondContact O-N 3.19Å; D239-K243 PolarHBondContact N-O 2.86Å; D239-M245 HydrophobicContact CB-CB 4.06Å; D239-M245 HydrophobicContact CB-SD 4.14Å
240P67Low79.8Confident135 Ų13554.8 Ų54.888%0.87729%0.285SS*.THydrogen-bonded Turntrans-49.3-17.1174.112.7-30.4000117.2G242P240-G242 VanDerWaalsContact C-N 3.33Å
241M68.8Low80.4Confident161 Ų16153 Ų5379%0.79328%0.277SS*.THydrogen-bonded Turntrans-88.310.5169.5-57.6-151.875.500114.6D239D239-M241 PolarHBondContact O-N 3.33Å; D239-M241 VanDerWaalsContact OD2-CB 3.27Å; D239-M241 WeakPolarHBondContact OD2-CB 3.38Å; D239-M241 PolarHBondContact OD2-N 2.92Å
242G70.3Confident80.5Confident52 Ų5253.9 Ų53.954%0.53628%0.28SS..SBendtrans76.220.5177.500000114.9D239 P240D239-G242 PolarHBondContact O-N 3.19Å; P240-G242 VanDerWaalsContact C-N 3.33Å
243K75.3Confident79.9Confident142 Ų14254.1 Ų54.162%0.61728%0.282SS*.  trans-104145.3179.1-68.5-177.8178.1179.50111.4H238 D239 M245H238-K243 CarbonylContact C-O 3.5Å; H238-K243 WeakPolarHBondContact CA-O 3.33Å; D239-K243 PolarHBondContact N-O 2.86Å; K243-M245 PolarHBondContact O-N 2.88Å
244P80.9Confident79Confident53 Ų5356.6 Ų56.634%0.34431%0.309SS..EExtended strand (participates in β ladder)trans-67.7127.917529.2-34.6000110.7T135 L140 L236 Q237T135-P244 WeakPolarHBondContact CB-O 3.46Å; T135-P244 WeakPolarHBondContact CG2-O 3.27Å; T135-P244 PolarHBondContact OG1-O 3.12Å; L140-P244 HydrophobicContact CD2-CB 4.4Å; L236-P244 HydrophobicContact CD1-CB 4.05Å; Q237-P244 CarbonylContact O-C 3.33Å; Q237-P244 WeakPolarHBondContact O-CA 3.46Å
245M83Confident78.4Confident99 Ų9958 Ų5849%0.48833%0.328SS..EExtended strand (participates in β ladder)trans-142.6140.9-177.8-175.5171.8-178.400110.8Q237 D239 K243 T247Q237-M245 PolarHBondContact N-O 3.03Å; Q237-M245 PolarHBondContact O-N 2.83Å; D239-M245 HydrophobicContact CB-CB 4.06Å; D239-M245 HydrophobicContact CB-SD 4.14Å; K243-M245 PolarHBondContact O-N 2.88Å; M245-T247 PolarHBondContact O-N 2.83Å
246W84.4Confident77.8Confident34 Ų3467 Ų6713%0.12936%0.362CS..EExtended strand (participates in β ladder)trans-79.1108.3175.2-74.8107.2000111.1L133 R134 L138 L142 A144 W234 L236L133-W246 HydrophobicContact CB-CG 4.48Å; L133-W246 HydrophobicContact CD1-CD2 4.44Å; L133-W246 HydrophobicContact CD2-CH2 4.44Å; L133-W246 HydrophobicContact CD2-CZ2 3.84Å; L133-W246 VanDerWaalsContact O-CD1 3.24Å; L133-W246 PolarHBondContact O-NE1 3.38Å; R134-W246 PolarHBondContact O-NE1 2.95Å; L138-W246 HydrophobicContact CD1-CZ2 3.83Å; L142-W246 HydrophobicContact CB-CH2 4.29Å; L142-W246 HydrophobicContact CD2-CH2 3.75Å; L142-W246 HydrophobicContact CD2-CZ2 4.09Å; L142-W246 HydrophobicContact CG-CH2 3.87Å; L142-W246 WeakPolarHBondContact O-CZ3 3.48Å; A144-W246 HydrophobicContact CB-CE3 4.4Å; A144-W246 HydrophobicContact CB-CH2 3.61Å; A144-W246 HydrophobicContact CB-CZ2 4.49Å; A144-W246 HydrophobicContact CB-CZ3 3.57Å; W234-W246 HydrophobicContact CB-CE3 3.73Å; W234-W246 HydrophobicContact CB-CZ3 4.34Å; L236-W246 HydrophobicContact CB-CD2 4.16Å; L236-W246 HydrophobicContact CB-CE3 3.97Å; L236-W246 HydrophobicContact CB-CH2 4.07Å; L236-W246 HydrophobicContact CB-CZ2 4.22Å; L236-W246 HydrophobicContact CB-CZ3 3.93Å; L236-W246 HydrophobicContact CD1-CD2 4.13Å; L236-W246 HydrophobicContact CD1-CG 4.22Å; L236-W246 HydrophobicContact CD2-CZ2 4.37Å
247T83.5Confident77.7Confident32 Ų3268.6 Ų68.620%0.19637%0.37CS..EExtended strand (participates in β ladder)trans-97.7132.8179.3-51.10000110.2W234 N235 M245 L249 I263W234-T247 CarbonylContact C-O 3.31Å; W234-T247 VanDerWaalsContact CA-O 3.23Å; W234-T247 WeakPolarHBondContact CA-O 3.39Å; N235-T247 PolarHBondContact N-O 3.07Å; N235-T247 PolarHBondContact O-N 3.45Å; M245-T247 PolarHBondContact O-N 2.83Å; T247-L249 PolarHBondContact O-N 2.72Å; T247-I263 HydrophobicContact CG2-CD1 3.87Å; T247-I263 HydrophobicContact CG2-CG2 3.85Å
248R83.8Confident77.8Confident107 Ų10770 Ų7040%0.40438%0.381SS..EExtended strand (participates in β ladder)trans-75.6125177.7-162.3178.777.8-169.65110.3F232 D260F232-R248 HydrophobicContact CB-CG 4.33Å; R248-D260 IonicContact CZ-OD2 2.96Å; R248-D260 IonicContact NE-OD2 3.65Å; R248-D260 PolarHBondContact NE-OD2 2.64Å; R248-D260 IonicContact NH2-OD1 3.47Å; R248-D260 PolarHBondContact NH2-OD1 3.33Å; R248-D260 IonicContact NH2-OD2 3.83Å; R248-D260 PolarHBondContact NH2-OD2 3.43Å
249L82.4Confident77.8Confident2 Ų267.4 Ų67.41%0.0137%0.37CS..EExtended strand (participates in β ladder)trans-88.6-36.2178.1-65.3176.3000111.9I233 N235 T247 M259 D260 I263 W264I233-L249 HydrophobicContact CG2-CB 4.33Å; I233-L249 HydrophobicContact CG2-CD1 3.93Å; I233-L249 PolarHBondContact O-N 2.85Å; N235-L249 HydrophobicContact CB-CD1 3.58Å; N235-L249 HydrophobicContact CB-CD2 3.84Å; N235-L249 HydrophobicContact CB-CG 3.77Å; T247-L249 PolarHBondContact O-N 2.72Å; L249-M259 HydrophobicContact CB-CE 4.15Å; L249-M259 WeakPolarHBondContact O-CE 3.5Å; L249-D260 PolarHBondContact O-N 3.26Å; L249-I263 VanDerWaalsContact CD2-O 3.26Å; L249-I263 WeakPolarHBondContact CD2-O 3.32Å; L249-W264 HydrophobicContact CB-CZ3 4.32Å; L249-W264 HydrophobicContact CD1-CE3 4.35Å; L249-W264 HydrophobicContact CD1-CZ3 3.77Å; L249-W264 HydrophobicContact CD2-CE3 4.08Å; L249-W264 HydrophobicContact CD2-CZ3 4.33Å; L249-W264 HydrophobicContact CG-CZ3 4.37Å
250G84.3Confident77.8Confident0 Ų067.5 Ų67.50%037%0.37CS..EExtended strand (participates in β ladder)trans170.6-162.5-177.700000113.3F232 I233 V258F232-G250 WeakPolarHBondContact CA-O 3.16Å; I233-G250 PolarHBondContact N-O 2.99Å; G250-V258 WeakPolarHBondContact CA-O 3.4Å
251S85.1Confident76.7Confident9 Ų967 Ų676%0.06337%0.37CS..EExtended strand (participates in β ladder)trans-133.8141.4-178.962.60000112.5F231 Q253 V258F231-S251 CarbonylContact O-C 3.54Å; F231-S251 WeakPolarHBondContact O-CA 3.41Å; S251-Q253 PolarHBondContact OG-NE2 3.24Å; S251-V258 PolarHBondContact N-O 2.73Å; S251-V258 PolarHBondContact O-N 2.86Å
252W83.2Confident76Confident17 Ų1762.4 Ų62.46%0.06436%0.364CS..EExtended strand (participates in β ladder)trans-89.2124.3174.3-17296.6000110S15 D19 V20 S23 F231 G255 R256S15-W252 VanDerWaalsContact CB-CZ3 3.48Å; D19-W252 HydrophobicContact CB-CZ2 3.97Å; V20-W252 HydrophobicContact CG1-CB 4.26Å; V20-W252 HydrophobicContact CG1-CG 4.26Å; V20-W252 HydrophobicContact CG2-CD2 4.05Å; V20-W252 HydrophobicContact CG2-CE3 4.49Å; V20-W252 HydrophobicContact CG2-CG 4.07Å; S23-W252 PolarHBondContact OG-NE1 3.49Å; F231-W252 HydrophobicContact CB-CB 4.15Å; F231-W252 HydrophobicContact CD2-CE3 4.41Å; F231-W252 PolarHBondContact O-N 3.07Å; W252-G255 VanDerWaalsContact CZ2-CA 3.49Å; W252-R256 WeakPolarHBondContact CA-O 3.3Å
253Q74.1Confident74.9Confident56 Ų5663.4 Ų63.426%0.26236%0.356SS..EExtended strand (participates in β ladder)trans-143.2126.2-177.1-59-17740.300109.8S251 G255 R256 V258S251-Q253 PolarHBondContact OG-NE2 3.24Å; Q253-G255 PolarHBondContact O-N 3.23Å; Q253-R256 PolarHBondContact N-O 3Å; Q253-R256 PolarHBondContact O-N 3.42Å; Q253-R256 VanDerWaalsContact O-N 3.17Å; Q253-R256 VanDerWaalsContact O-O 3.11Å; Q253-V258 HydrophobicContact CB-CG2 4.34Å
254G69.2Low73.4Confident58 Ų5860.6 Ų60.660%0.59834%0.342SS*.THydrogen-bonded Turntrans5936.3171.500000115.6
255G72.7Confident71.6Confident45 Ų4560.7 Ų60.746%0.46434%0.342SS..THydrogen-bonded Turntrans79.316.8-17900000114.8W252 Q253W252-G255 VanDerWaalsContact CZ2-CA 3.49Å; Q253-G255 PolarHBondContact O-N 3.23Å
256R74.4Confident69.5Low195 Ų19562.3 Ų62.374%0.73635%0.349SS*.EExtended strand (participates in β ladder)trans-140.9153.3176.6-63.2-174.2-179.6-171-1.6111.2W252 Q253W252-R256 WeakPolarHBondContact CA-O 3.3Å; Q253-R256 PolarHBondContact N-O 3Å; Q253-R256 PolarHBondContact O-N 3.42Å; Q253-R256 VanDerWaalsContact O-N 3.17Å; Q253-R256 VanDerWaalsContact O-O 3.11Å
257I82.6Confident67.2Low32 Ų3267.4 Ų67.416%0.16437%0.374CS..EExtended strand (participates in β ladder)trans-86126.3168.3-61.2171000108.3I24 M27 I233 M259I24-I257 HydrophobicContact CB-CD1 4.46Å; I24-I257 HydrophobicContact CG1-CD1 3.85Å; M27-I257 HydrophobicContact CB-CD1 4.21Å; M27-I257 HydrophobicContact SD-CB 3.95Å; M27-I257 HydrophobicContact SD-CD1 3.9Å; M27-I257 HydrophobicContact SD-CG2 3.92Å; I233-I257 HydrophobicContact CD1-CB 4.42Å; I233-I257 HydrophobicContact CD1-CD1 3.58Å; I233-I257 HydrophobicContact CD1-CG1 3.7Å; I233-I257 HydrophobicContact CD1-CG2 3.87Å; I257-M259 HydrophobicContact CG2-CG 4.45Å; I257-M259 HydrophobicContact CG2-SD 3.67Å
258V80.5Confident64.9Low72 Ų7269.6 Ų69.644%0.43640%0.395SS..EExtended strand (participates in β ladder)trans-104.6111.2170.4-178.20000107G250 S251 Q253G250-V258 WeakPolarHBondContact CA-O 3.4Å; S251-V258 PolarHBondContact N-O 2.73Å; S251-V258 PolarHBondContact O-N 2.86Å; Q253-V258 HydrophobicContact CB-CG2 4.34Å
259M76.4Confident62.8Low64 Ų6469.3 Ų69.332%0.31540%0.398SS..EExtended strand (participates in β ladder)trans-74.2140.1-177.1-68.9-55.2-63.700112.1M27 L249 I257 W264M27-M259 HydrophobicContact CE-CG 3.81Å; M27-M259 HydrophobicContact CE-SD 3.68Å; M27-M259 HydrophobicContact SD-SD 4.17Å; L249-M259 HydrophobicContact CB-CE 4.15Å; L249-M259 WeakPolarHBondContact O-CE 3.5Å; I257-M259 HydrophobicContact CG2-CG 4.45Å; I257-M259 HydrophobicContact CG2-SD 3.67Å; M259-W264 HydrophobicContact CE-CD2 4.15Å; M259-W264 HydrophobicContact CE-CE3 3.22Å; M259-W264 HydrophobicContact CE-CZ3 3.57Å; M259-W264 HydrophobicContact SD-CE3 4.27Å; M259-W264 HydrophobicContact SD-CZ3 4.08Å
260D72.4Confident60.5Low52 Ų5278.3 Ų78.328%0.27843%0.432SS..PPolyproline II helixtrans-76.6128.2164-73.5-36.9000108.4R248 L249 G262R248-D260 IonicContact CZ-OD2 2.96Å; R248-D260 IonicContact NE-OD2 3.65Å; R248-D260 PolarHBondContact NE-OD2 2.64Å; R248-D260 IonicContact NH2-OD1 3.47Å; R248-D260 PolarHBondContact NH2-OD1 3.33Å; R248-D260 IonicContact NH2-OD2 3.83Å; R248-D260 PolarHBondContact NH2-OD2 3.43Å; L249-D260 PolarHBondContact O-N 3.26Å; D260-G262 PolarHBondContact O-N 3.44Å
261S44.3Very low58.1Low126 Ų12687 Ų8788%0.88147%0.472SS*.THydrogen-bonded Turntrans-64120.2-170.2550000112.7
262G52.9Low55.5Low64 Ų6492 Ų9266%0.6649%0.493SS*.THydrogen-bonded Turntrans106.42.7166.200000116.7D260D260-G262 PolarHBondContact O-N 3.44Å
263I47.7Very low53Low72 Ų7297.5 Ų97.537%0.36953%0.529SS..  trans-130.678177.9-44.2-179.6000111.7T247 L249T247-I263 HydrophobicContact CG2-CD1 3.87Å; T247-I263 HydrophobicContact CG2-CG2 3.85Å; L249-I263 VanDerWaalsContact CD2-O 3.26Å; L249-I263 WeakPolarHBondContact CD2-O 3.32Å
264W43.8Very low51.2Low83 Ų83103.2 Ų103.231%0.31456%0.555SS.*SBendtrans-115.7148159.1-160.6-117.5000108.6M27 N28 L249 M259 E266M27-W264 HydrophobicContact CE-CH2 3.97Å; M27-W264 HydrophobicContact CE-CZ2 4.09Å; M27-W264 HydrophobicContact CE-CZ3 4.24Å; M27-W264 HydrophobicContact SD-CH2 4.47Å; N28-W264 WeakPolarHBondContact OD1-CZ2 3.21Å; L249-W264 HydrophobicContact CB-CZ3 4.32Å; L249-W264 HydrophobicContact CD1-CE3 4.35Å; L249-W264 HydrophobicContact CD1-CZ3 3.77Å; L249-W264 HydrophobicContact CD2-CE3 4.08Å; L249-W264 HydrophobicContact CD2-CZ3 4.33Å; L249-W264 HydrophobicContact CG-CZ3 4.37Å; M259-W264 HydrophobicContact CE-CD2 4.15Å; M259-W264 HydrophobicContact CE-CE3 3.22Å; M259-W264 HydrophobicContact CE-CZ3 3.57Å; M259-W264 HydrophobicContact SD-CE3 4.27Å; M259-W264 HydrophobicContact SD-CZ3 4.08Å; W264-E266 PolarHBondContact O-N 2.91Å
265P42.1Very low49.4Very low55 Ų55109.3 Ų109.336%0.35757%0.566SS.*G310 helixtrans-80.344.6-163.333-36.6000115.7Q267P265-Q267 VanDerWaalsContact C-N 3.28Å
266E38.8Very low47.7Very low134 Ų134116.1 Ų116.163%0.62659%0.585SS**G310 helixtrans-66.2-34.3167-65.4169.7144.200111.2W264 A268 Q269W264-E266 PolarHBondContact O-N 2.91Å; E266-A268 PolarHBondContact O-N 3.34Å; E266-Q269 PolarHBondContact O-N 3.28Å
267Q37.1Very low45.8Very low141 Ų141110.3 Ų110.366%0.65957%0.567SS**G310 helixtrans-69.8-7.9-174.1-64.7171.29.400113.7P265P265-Q267 VanDerWaalsContact C-N 3.28Å
268A36.1Very low43.9Very low77 Ų77114.6 Ų114.664%0.63660%0.596SS**G310 helixtrans-78.1-16.7174.300000114E266 R270E266-A268 PolarHBondContact O-N 3.34Å; A268-R270 VanDerWaalsContact C-N 3.32Å; A268-R270 PolarHBondContact O-N 3.22Å
269Q38Very low42.4Very low101 Ų101119.1 Ų119.147%0.47262%0.618SS.*G310 helixtrans-80-6.4179.1-92.6174.6-75.200114.6E266 H271E266-Q269 PolarHBondContact O-N 3.28Å; Q269-H271 PolarHBondContact O-N 2.91Å
270R34.7Very low41.8Very low191 Ų191118.9 Ų118.972%0.72162%0.615SS**G310 helixtrans-66.8-2.5179.4-72.9-174.1170.6169-0.2115.4A268A268-R270 VanDerWaalsContact C-N 3.32Å; A268-R270 PolarHBondContact O-N 3.22Å
271H34.6Very low42.2Very low182 Ų182120.6 Ų120.684%0.84362%0.624SS**  trans-130.974.5168.2-78.4-57.3000112.7Q269Q269-H271 PolarHBondContact O-N 2.91Å
272K30.9Very low44.2Very low114 Ų114118.6 Ų118.650%0.49660%0.601SS.*  trans-133.880.4161.5-76.1-166.9177.3-179.50112.5H274K272-H274 PolarHBondContact O-N 3.49Å
273T29.9Very low46.1Very low134 Ų134116 Ų11682%0.82257%0.572SS**  trans-63.6126.6155.346.90000109.2
274H35.6Very low48.3Very low176 Ų176114.5 Ų114.582%0.81556%0.561SS**SBendtrans35.599.4171.1-68.7-79.5000117.3K272K272-H274 PolarHBondContact O-N 3.49Å
275F32.1Very low50.8Low186 Ų186110.6 Ų110.682%0.81655%0.546SS*.  -161.9164.1118.4-93.6-60.5000109.6H277F275-H277 PolarHBondContact O-N 2.69Å; F275-H277 PolarHBondContact O-ND1 3.23Å
276Q37.1Very low53.4Low188 Ų188108 Ų10888%0.87953%0.529SS*.PPolyproline II helixtrans-64.8128-164.4-69.6160.9-81.400112.2
277H33.7Very low56.1Low73 Ų73101.6 Ų101.634%0.33850%0.5SS..PPolyproline II helixtrans-80.1156.1167.7-73.154.5000109.7F275 N279F275-H277 PolarHBondContact O-N 2.69Å; F275-H277 PolarHBondContact O-ND1 3.23Å; H277-N279 PolarHBondContact O-N 3.26Å
278P42.5Very low58.9Low121 Ų12195.2 Ų95.279%0.78647%0.47SS*.SBendtrans-55.8135.8157.627.8-34.4000108.1K280P278-K280 PolarHBondContact O-N 2.89Å
279N49.6Very low61.6Low168 Ų16894.5 Ų94.590%0.89846%0.455SS*.  trans-43.2100.1-166.1-69.13.7000113.2H277H277-N279 PolarHBondContact O-N 3.26Å
280K64.2Low64.2Low58 Ų5890.1 Ų90.125%0.25243%0.434SS..  trans-57.2148.6162.3-77.1179.4163.1-141.30108.4P278 H282 N360 D362P278-K280 PolarHBondContact O-N 2.89Å; K280-H282 PolarHBondContact O-N 3.05Å; K280-N360 WeakPolarHBondContact CE-OD1 3.2Å; K280-N360 PolarHBondContact NZ-OD1 2.81Å; K280-D362 WeakPolarHBondContact CD-OD1 3.47Å; K280-D362 WeakPolarHBondContact CD-OD2 3.32Å; K280-D362 WeakPolarHBondContact CE-OD1 3.37Å; K280-D362 IonicContact NZ-OD1 2.96Å; K280-D362 PolarHBondContact NZ-OD1 2.69Å
281L80.4Confident66.9Low89 Ų8983.9 Ų83.947%0.46641%0.413SS..EExtended strand (participates in β ladder)trans-64124.9168.6-176.663.9000107.6L283 F361 D362 L651L281-L283 HydrophobicContact CD1-CD2 4.11Å; L281-L283 HydrophobicContact CD2-CD1 4.11Å; L281-L283 HydrophobicContact CD2-CD2 3.98Å; L281-L283 HydrophobicContact CD2-CG 4.18Å; L281-L283 HydrophobicContact CG-CD1 4.44Å; L281-L283 HydrophobicContact CG-CD2 3.79Å; L281-L283 HydrophobicContact CG-CG 3.98Å; L281-F361 HydrophobicContact CB-CB 4.04Å; L281-F361 CarbonylContact O-C 3.56Å; L281-F361 VanDerWaalsContact O-CA 3.29Å; L281-F361 WeakPolarHBondContact O-CA 3.39Å; L281-F361 VanDerWaalsContact O-CB 3.25Å; L281-F361 WeakPolarHBondContact O-CB 3.44Å; L281-D362 PolarHBondContact O-N 2.61Å; L281-L651 HydrophobicContact CD2-CD1 4.36Å; L281-L651 HydrophobicContact CD2-CD2 4.06Å
282H87.2Confident69.7Low84 Ų8475.2 Ų75.239%0.38937%0.373SS..EExtended strand (participates in β ladder)trans-108.6121.5176.3-170.476.3000109.1K280 H330 D362 D364K280-H282 PolarHBondContact O-N 3.05Å; H282-H330 AromaticContact CE1-NE2 3.94Å; H282-H330 AromaticContact NE2-NE2 3.74Å; H282-D362 WeakPolarHBondContact CA-O 3.34Å; H282-D364 IonicContact CD2-OD2 3.05Å; H282-D364 IonicContact CE1-OD2 2.98Å; H282-D364 VanDerWaalsContact NE2-CG 3.27Å; H282-D364 IonicContact NE2-OD1 2.81Å; H282-D364 IonicContact NE2-OD2 3.81Å; H282-D364 PolarHBondContact NE2-OD2 3.21Å
283L92.3Very high72.7Confident10 Ų1069.8 Ų69.85%0.05235%0.349CS..EExtended strand (participates in β ladder)trans-119.2130.3-172.3-62.3179.9000111.5L281 F361 D362 F363 D364 N394 M395 L651L281-L283 HydrophobicContact CD1-CD2 4.11Å; L281-L283 HydrophobicContact CD2-CD1 4.11Å; L281-L283 HydrophobicContact CD2-CD2 3.98Å; L281-L283 HydrophobicContact CD2-CG 4.18Å; L281-L283 HydrophobicContact CG-CD1 4.44Å; L281-L283 HydrophobicContact CG-CD2 3.79Å; L281-L283 HydrophobicContact CG-CG 3.98Å; L283-F361 HydrophobicContact CD1-CB 4.46Å; L283-F361 HydrophobicContact CD1-CD1 4.19Å; L283-F361 HydrophobicContact CD1-CD2 3.98Å; L283-F361 HydrophobicContact CD1-CE1 4.45Å; L283-F361 HydrophobicContact CD1-CE2 4.24Å; L283-F361 HydrophobicContact CD1-CG 3.98Å; L283-F361 HydrophobicContact CD1-CZ 4.48Å; L283-F361 HydrophobicContact CG-CD2 4.44Å; L283-D362 PolarHBondContact N-O 2.74Å; L283-F363 CarbonylContact O-C 3.55Å; L283-F363 WeakPolarHBondContact O-CA 3.22Å; L283-F363 WeakPolarHBondContact O-CB 3.39Å; L283-D364 PolarHBondContact O-N 3.06Å; L283-N394 HydrophobicContact CB-CB 4.49Å; L283-N394 HydrophobicContact CD2-CB 4.02Å; L283-M395 HydrophobicContact CD1-CE 3.86Å; L283-L651 HydrophobicContact CD1-CD1 3.85Å; L283-L651 HydrophobicContact CD2-CD1 4.28Å
284R93Very high75.8Confident40 Ų4063.4 Ų63.415%0.15131%0.31CS..EExtended strand (participates in β ladder)trans-87.1117.9169.9-156.2-170.5-69.7157.3-12.5110.4D323 F326 D364 Y366 T392 N394 M395R284-D323 IonicContact CZ-OD1 3.43Å; R284-D323 VanDerWaalsContact CZ-OD1 3.25Å; R284-D323 IonicContact NH1-OD1 2.77Å; R284-D323 PolarHBondContact NH1-OD1 2.8Å; R284-D323 IonicContact NH2-OD1 3.28Å; R284-D323 PolarHBondContact NH2-OD1 3.29Å; R284-F326 VanDerWaalsContact CD-CE2 3.46Å; R284-F326 HydrophobicContact CG-CE2 4.02Å; R284-F326 HydrophobicContact CG-CZ 4.06Å; R284-D364 HydrophobicContact CB-CB 4.37Å; R284-D364 HydrophobicContact CG-CB 3.86Å; R284-Y366 HydrophobicContact CG-CD1 3.85Å; R284-Y366 HydrophobicContact CG-CE1 3.72Å; R284-T392 WeakPolarHBondContact CD-O 3.21Å; R284-T392 PolarHBondContact NH1-O 3.18Å; R284-T392 VanDerWaalsContact NH1-O 3.14Å; R284-N394 PolarHBondContact N-OD1 3.05Å; R284-N394 PolarHBondContact O-N 3.25Å; R284-M395 PolarHBondContact O-N 3.29Å
285V96.9Very high78.6Confident0 Ų056.3 Ų56.30%028%0.277CS..EExtended strand (participates in β ladder)trans-107.3125.9-175.6-172.90000109.9L352 F363 D364 L365 Y366 M395 V397V285-L352 HydrophobicContact CB-CD2 4.29Å; V285-L352 HydrophobicContact CG1-CD2 3.88Å; V285-L352 HydrophobicContact CG2-CD1 4.24Å; V285-L352 HydrophobicContact CG2-CD2 4.26Å; V285-F363 HydrophobicContact CG2-CB 3.97Å; V285-F363 HydrophobicContact CG2-CD2 4.29Å; V285-F363 HydrophobicContact CG2-CG 4.43Å; V285-D364 PolarHBondContact N-O 3.13Å; V285-L365 HydrophobicContact CB-CD1 4.15Å; V285-L365 HydrophobicContact CG1-CD1 4.09Å; V285-L365 WeakPolarHBondContact O-CA 3.41Å; V285-Y366 WeakPolarHBondContact O-CD1 3.23Å; V285-Y366 PolarHBondContact O-N 3.35Å; V285-M395 WeakPolarHBondContact CA-O 3.2Å; V285-M395 HydrophobicContact CG1-CB 4.47Å; V285-M395 HydrophobicContact CG2-CB 4.29Å; V285-V397 HydrophobicContact CG1-CB 3.97Å; V285-V397 HydrophobicContact CG1-CG2 3.7Å
286V96.3Very high81.6Confident0 Ų049.7 Ų49.70%025%0.252CS..EExtended strand (participates in β ladder)trans-96.4143.1172.4680000111Y366 V368 L384 D387 A393 M395 A396 V397V286-Y366 CarbonylContact C-O 3.6Å; V286-Y366 WeakPolarHBondContact CA-O 3.47Å; V286-Y366 HydrophobicContact CB-CD1 4.38Å; V286-Y366 HydrophobicContact CB-CE1 3.81Å; V286-Y366 HydrophobicContact CB-CE2 4.08Å; V286-Y366 HydrophobicContact CG2-CD2 4.07Å; V286-Y366 HydrophobicContact CG2-CE1 4.26Å; V286-Y366 HydrophobicContact CG2-CE2 3.61Å; V286-V368 HydrophobicContact CG2-CB 3.85Å; V286-L384 HydrophobicContact CB-CD2 4.42Å; V286-L384 HydrophobicContact CG1-CD2 3.88Å; V286-L384 HydrophobicContact CG2-CD2 3.81Å; V286-D387 HydrophobicContact CG1-CB 4.48Å; V286-A393 HydrophobicContact CB-CB 3.86Å; V286-A393 HydrophobicContact CG1-CB 3.6Å; V286-M395 PolarHBondContact N-O 3.06Å; V286-A396 HydrophobicContact CG1-CB 3.63Å; V286-A396 WeakPolarHBondContact O-CA 3.36Å; V286-V397 PolarHBondContact O-N 3.36Å
287T96.4Very high84.2Confident0 Ų043.7 Ų43.70%022%0.221CC..EExtended strand (participates in β ladder)trans-137.3169.6178.4-159.80000112.5V294 L365 Y366 I367 V368 V397T287-V294 HydrophobicContact CG2-CG1 4.21Å; T287-V294 WeakPolarHBondContact OG1-CG2 3.34Å; T287-L365 HydrophobicContact CG2-CD1 3.9Å; T287-L365 HydrophobicContact CG2-CG 4.37Å; T287-Y366 PolarHBondContact N-O 3.03Å; T287-I367 HydrophobicContact CG2-CG1 4.28Å; T287-I367 WeakPolarHBondContact O-CA 3.32Å; T287-V368 PolarHBondContact O-N 3.16Å; T287-V397 WeakPolarHBondContact CB-O 3.34Å; T287-V397 PolarHBondContact OG1-O 3.27Å
288L94.8Very high87.1Confident8 Ų845.9 Ų45.94%0.04223%0.232CC..  trans-135.7137.3178177.865.8000108.9E290 V294 V368 G371 Y373 L384 T398L288-E290 HydrophobicContact CD2-CG 4.3Å; L288-E290 HydrophobicContact CG-CG 4.33Å; L288-E290 PolarHBondContact O-N 2.78Å; L288-V294 WeakPolarHBondContact O-CB 3.19Å; L288-V368 HydrophobicContact CB-CG1 4.09Å; L288-V368 HydrophobicContact CD1-CG1 3.6Å; L288-V368 HydrophobicContact CG-CG1 4.4Å; L288-G371 VanDerWaalsContact CD1-C 3.43Å; L288-G371 WeakPolarHBondContact CD1-O 3.24Å; L288-Y373 HydrophobicContact CD2-CD1 3.72Å; L288-Y373 HydrophobicContact CD2-CD2 4.09Å; L288-Y373 HydrophobicContact CD2-CE1 3.71Å; L288-Y373 HydrophobicContact CD2-CE2 4.06Å; L288-Y373 HydrophobicContact CD2-CG 3.94Å; L288-L384 HydrophobicContact CB-CD1 4.44Å; L288-L384 HydrophobicContact CB-CD2 4.49Å; L288-T398 HydrophobicContact CB-CG2 3.99Å; L288-T398 PolarHBondContact O-OG1 3.48Å
289I93.6Very high89.4Confident61 Ų6141 Ų4131%0.31320%0.199SC..  trans-75.1102.2-178.5-43.6174.7000109.8T296 I367I289-T296 HydrophobicContact CD1-CG2 3.75Å; I289-T296 HydrophobicContact CG1-CG2 3.79Å; I289-T296 HydrophobicContact CG2-CG2 4.22Å; I289-I367 HydrophobicContact CD1-CD1 4.04Å; I289-I367 HydrophobicContact CD1-CG2 4.21Å; I289-I367 HydrophobicContact CG1-CD1 4.12Å; I289-I367 HydrophobicContact CG1-CG2 3.9Å
290E91.9Very high91.2Very high9 Ų935.8 Ų35.84%0.04217%0.172CC..BIsolated β-bridgetrans-144.9118.5176.3-79.1-68.5164.300109.4L288 F293 V294 Y373 T593 L616L288-E290 HydrophobicContact CD2-CG 4.3Å; L288-E290 HydrophobicContact CG-CG 4.33Å; L288-E290 PolarHBondContact O-N 2.78Å; E290-F293 WeakPolarHBondContact O-CA 3.47Å; E290-F293 WeakPolarHBondContact O-CB 3.44Å; E290-F293 PolarHBondContact O-N 3.26Å; E290-V294 CarbonylContact C-O 3.58Å; E290-V294 PolarHBondContact N-O 3.45Å; E290-V294 PolarHBondContact O-N 3.4Å; E290-Y373 WeakPolarHBondContact CG-OH 3.36Å; E290-T593 VanDerWaalsContact CD-OG1 3.25Å; E290-T593 PolarHBondContact OE1-OG1 2.92Å; E290-T593 VanDerWaalsContact OE2-CB 3.24Å; E290-T593 WeakPolarHBondContact OE2-CB 3.28Å; E290-T593 PolarHBondContact OE2-OG1 3.48Å; E290-L616 HydrophobicContact CB-CD2 4.32Å
291H91.8Very high92.2Very high60 Ų6040.4 Ų40.428%0.27820%0.199SC..THydrogen-bonded Turntrans-80.2138.5-176.4-50.4137.7000111.3V294 F295 L616 Y619H291-V294 PolarHBondContact CD2-O 3.14Å; H291-F295 HydrophobicContact CB-CD1 4.37Å; H291-F295 HydrophobicContact CB-CE1 3.86Å; H291-F295 HydrophobicContact CB-CZ 4.21Å; H291-F295 AromaticContact CD2-CD1 3.14Å; H291-F295 WeakPolarHBondContact CD2-CD1 3.23Å; H291-F295 AromaticContact CD2-CE1 3.55Å; H291-F295 AromaticContact CD2-CG 3.72Å; H291-F295 AromaticContact CG-CD1 3.83Å; H291-F295 AromaticContact CG-CE1 3.74Å; H291-F295 AromaticContact NE2-CD1 3.62Å; H291-L616 VanDerWaalsContact O-CD2 3.3Å; H291-L616 WeakPolarHBondContact O-CD2 3.45Å; H291-Y619 HydrophobicContact CB-CD1 4.05Å; H291-Y619 HydrophobicContact CB-CE1 3.57Å
292P92.8Very high92.2Very high0 Ų043.3 Ų43.30%021%0.211CC..THydrogen-bonded Turncis-9717638.7-35.2000114.2F295 Y347 Y619 W675 Y676P292-F295 HydrophobicContact CB-CE2 3.95Å; P292-F295 HydrophobicContact CB-CZ 3.81Å; P292-F295 WeakPolarHBondContact O-CE2 3.19Å; P292-Y347 PolarHBondContact O-N 2.72Å; P292-Y619 HydrophobicContact CB-CD1 4.38Å; P292-Y619 HydrophobicContact CB-CD2 3.79Å; P292-Y619 HydrophobicContact CB-CE1 4.3Å; P292-Y619 HydrophobicContact CB-CE2 3.7Å; P292-Y619 HydrophobicContact CB-CG 4.15Å; P292-Y619 HydrophobicContact CG-CD1 4.47Å; P292-Y619 HydrophobicContact CG-CD2 3.78Å; P292-Y619 HydrophobicContact CG-CE2 4.22Å; P292-Y619 HydrophobicContact CG-CG 3.93Å; P292-W675 HydrophobicContact CB-CB 4.38Å; P292-Y676 HydrophobicContact CG-CD2 4.01Å; P292-Y676 HydrophobicContact CG-CE1 4.11Å; P292-Y676 HydrophobicContact CG-CE2 3.47Å; P292-Y676 VanDerWaalsContact CG-CE2 3.47Å
293F95Very high91.7Very high0 Ų039.5 Ų39.50%019%0.194CC..THydrogen-bonded Turntrans-77.2-41.6-174.8-67.7-81.2000112.5E290 G346 Y347 C348 F416 F417 A615 L616 Y641 Y676E290-F293 WeakPolarHBondContact O-CA 3.47Å; E290-F293 WeakPolarHBondContact O-CB 3.44Å; E290-F293 PolarHBondContact O-N 3.26Å; F293-G346 CarbonylContact O-C 3.41Å; F293-G346 VanDerWaalsContact O-C 3.31Å; F293-G346 WeakPolarHBondContact O-CA 3.45Å; F293-Y347 AromaticContact CD1-CD1 3.97Å; F293-Y347 HydrophobicContact CD1-CD1 3.97Å; F293-Y347 HydrophobicContact CD1-CG 4.09Å; F293-Y347 HydrophobicContact CE1-CD1 4.04Å; F293-Y347 HydrophobicContact CE1-CG 4.16Å; F293-Y347 PolarHBondContact O-N 2.87Å; F293-Y347 VanDerWaalsContact O-N 3.15Å; F293-C348 HydrophobicContact CB-CB 4.43Å; F293-C348 WeakPolarHBondContact O-CB 3.46Å; F293-C348 PolarHBondContact O-N 2.91Å; F293-F416 HydrophobicContact CE1-CE2 4.46Å; F293-F417 AromaticContact CE1-CD2 3.93Å; F293-F417 HydrophobicContact CE1-CD2 3.93Å; F293-F417 HydrophobicContact CE1-CE2 4.22Å; F293-F417 HydrophobicContact CE1-CG 4.15Å; F293-F417 HydrophobicContact CZ-CD1 4.24Å; F293-F417 HydrophobicContact CZ-CD2 4.11Å; F293-F417 HydrophobicContact CZ-CE1 4.23Å; F293-F417 HydrophobicContact CZ-CE2 4.07Å; F293-F417 HydrophobicContact CZ-CG 4.2Å; F293-F417 HydrophobicContact CZ-CZ 4.14Å; F293-A615 HydrophobicContact CE2-CB 4.41Å; F293-A615 HydrophobicContact CZ-CB 4.43Å; F293-L616 HydrophobicContact CD2-CD2 3.76Å; F293-L616 HydrophobicContact CE2-CD2 3.91Å; F293-Y641 HydrophobicContact CD2-CE2 4.36Å; F293-Y641 AromaticContact CE1-CD2 3.96Å; F293-Y641 HydrophobicContact CE1-CD2 3.96Å; F293-Y641 HydrophobicContact CE1-CE2 4.04Å; F293-Y641 HydrophobicContact CE2-CD2 4.35Å; F293-Y641 AromaticContact CE2-CE2 3.63Å; F293-Y641 HydrophobicContact CE2-CE2 3.63Å; F293-Y641 AromaticContact CZ-CD2 3.85Å; F293-Y641 HydrophobicContact CZ-CD2 3.85Å; F293-Y641 AromaticContact CZ-CE2 3.46Å; F293-Y641 HydrophobicContact CZ-CE2 3.46Å; F293-Y641 VanDerWaalsContact CZ-CE2 3.46Å; F293-Y676 WeakPolarHBondContact CE2-OH 3.34Å; F293-Y676 HydrophobicContact CZ-CE2 4.15Å; F293-Y676 WeakPolarHBondContact CZ-OH 3.47Å
294V95.6Very high91.3Very high0 Ų044.6 Ų44.60%022%0.221CC..BIsolated β-bridgetrans-143.4115.2178.8-173.80000108.9T287 L288 E290 H291 C348 I349T287-V294 HydrophobicContact CG2-CG1 4.21Å; T287-V294 WeakPolarHBondContact OG1-CG2 3.34Å; L288-V294 WeakPolarHBondContact O-CB 3.19Å; E290-V294 CarbonylContact C-O 3.58Å; E290-V294 PolarHBondContact N-O 3.45Å; E290-V294 PolarHBondContact O-N 3.4Å; H291-V294 PolarHBondContact CD2-O 3.14Å; V294-C348 HydrophobicContact CG2-CB 3.97Å; V294-I349 HydrophobicContact CG1-CD1 4.37Å; V294-I349 HydrophobicContact CG2-CD1 4.37Å
295F93.7Very high91.1Very high27 Ų2744.2 Ų44.212%0.11822%0.224CC..EExtended strand (participates in β ladder)trans-103.2156.6168.1-58.9-94.9000109.5H291 P292 C344 Y345 Y619 W675H291-F295 HydrophobicContact CB-CD1 4.37Å; H291-F295 HydrophobicContact CB-CE1 3.86Å; H291-F295 HydrophobicContact CB-CZ 4.21Å; H291-F295 AromaticContact CD2-CD1 3.14Å; H291-F295 WeakPolarHBondContact CD2-CD1 3.23Å; H291-F295 AromaticContact CD2-CE1 3.55Å; H291-F295 AromaticContact CD2-CG 3.72Å; H291-F295 AromaticContact CG-CD1 3.83Å; H291-F295 AromaticContact CG-CE1 3.74Å; H291-F295 AromaticContact NE2-CD1 3.62Å; P292-F295 HydrophobicContact CB-CE2 3.95Å; P292-F295 HydrophobicContact CB-CZ 3.81Å; P292-F295 WeakPolarHBondContact O-CE2 3.19Å; F295-C344 WeakPolarHBondContact O-CA 3.13Å; F295-Y345 HydrophobicContact CB-CD1 4.23Å; F295-Y345 HydrophobicContact CB-CD2 3.79Å; F295-Y345 HydrophobicContact CB-CE1 3.84Å; F295-Y345 HydrophobicContact CB-CE2 3.38Å; F295-Y345 HydrophobicContact CB-CG 4.21Å; F295-Y345 VanDerWaalsContact CB-CZ 3.41Å; F295-Y345 HydrophobicContact CD1-CE2 4.37Å; F295-Y345 AromaticContact CD2-CD2 3.92Å; F295-Y345 HydrophobicContact CD2-CD2 3.92Å; F295-Y345 AromaticContact CD2-CE2 3.76Å; F295-Y345 HydrophobicContact CD2-CE2 3.76Å; F295-Y345 HydrophobicContact CG-CD2 4.12Å; F295-Y345 AromaticContact CG-CE2 3.61Å; F295-Y345 HydrophobicContact CG-CE2 3.61Å; F295-Y345 PolarHBondContact N-O 3.26Å; F295-Y345 PolarHBondContact O-N 3.28Å; F295-Y345 VanDerWaalsContact O-N 3.08Å; F295-Y619 WeakPolarHBondContact CZ-OH 3.02Å; F295-W675 HydrophobicContact CD2-CE3 4.4Å; F295-W675 HydrophobicContact CD2-CZ3 4.14Å; F295-W675 AromaticContact CE2-CE3 3.73Å; F295-W675 HydrophobicContact CE2-CE3 3.73Å; F295-W675 AromaticContact CE2-CZ3 3.86Å; F295-W675 HydrophobicContact CE2-CZ3 3.86Å
296T94.1Very high90.4Very high47 Ų4748.9 Ų48.929%0.28825%0.254SS..EExtended strand (participates in β ladder)trans-127.1136.4172.353.70000110.7I289 C343 I367I289-T296 HydrophobicContact CD1-CG2 3.75Å; I289-T296 HydrophobicContact CG1-CG2 3.79Å; I289-T296 HydrophobicContact CG2-CG2 4.22Å; T296-C343 WeakPolarHBondContact CA-O 2.99Å; T296-I367 HydrophobicContact CG2-CD1 3.68Å
297R93.4Very high89.8Confident62 Ų6251.8 Ų51.823%0.23428%0.278CS..EExtended strand (participates in β ladder)trans-119.3160.3162.963.8179-171.493.1-0.9110.5D300 P306 A307 K342 C343 Y345R297-D300 IonicContact NH1-OD1 2.74Å; R297-D300 PolarHBondContact NH1-OD1 3.02Å; R297-P306 VanDerWaalsContact NH2-CD 3.25Å; R297-A307 PolarHBondContact NE-O 3.42Å; R297-A307 PolarHBondContact NH2-O 2.75Å; R297-K342 WeakPolarHBondContact O-CA 3.43Å; R297-C343 HydrophobicContact CG-CB 3.68Å; R297-C343 VanDerWaalsContact CZ-SG 3.53Å; R297-C343 PolarHBondContact N-O 3.4Å; R297-C343 PolarHBondContact NH2-SG 3.1Å; R297-C343 VanDerWaalsContact NH2-SG 3.42Å; R297-C343 PolarHBondContact O-N 3.33Å; R297-Y345 HydrophobicContact CB-CE1 4.11Å; R297-Y345 HydrophobicContact CG-CD1 4.4Å; R297-Y345 HydrophobicContact CG-CE1 3.94Å
298E92.9Very high89.4Confident119 Ų11953.1 Ų53.156%0.55629%0.292SS*.EExtended strand (participates in β ladder)trans-62.6152166.7-56.8-55.6143.300110.5K342E298-K342 IonicContact OE1-NZ 3.13Å; E298-K342 PolarHBondContact OE1-NZ 3.04Å; E298-K342 IonicContact OE2-NZ 2.74Å; E298-K342 PolarHBondContact OE2-NZ 2.99Å
299V91.3Very high89.2Confident18 Ų1855.9 Ų55.911%0.10931%0.305CS..PPolyproline II helixtrans-72.2161.1168-69.30000111.1L310 I338 K341V299-L310 HydrophobicContact CG1-CD1 4.12Å; V299-I338 HydrophobicContact CG2-CG2 3.63Å; V299-K341 HydrophobicContact CG1-CB 3.74Å; V299-K341 HydrophobicContact CG2-CB 4.09Å
300D88.1Confident89.1Confident60 Ų6055.2 Ų55.232%0.32130%0.301SS..PPolyproline II helixtrans-71.8171.4174.2-57.315.9000110.5R297 E302 G303 L304 P306R297-D300 IonicContact NH1-OD1 2.74Å; R297-D300 PolarHBondContact NH1-OD1 3.02Å; D300-E302 PolarHBondContact O-N 2.91Å; D300-G303 WeakPolarHBondContact O-CA 3.18Å; D300-G303 PolarHBondContact O-N 2.91Å; D300-L304 PolarHBondContact N-O 3.35Å; D300-P306 VanDerWaalsContact CG-CD 3.5Å; D300-P306 WeakPolarHBondContact OD1-CD 3.41Å; D300-P306 WeakPolarHBondContact OD2-CD 3.18Å; D300-P306 WeakPolarHBondContact OD2-CG 3.48Å
301D85.7Confident89.2Confident155 Ų15554.8 Ų54.883%0.82930%0.299SS*.THydrogen-bonded Turntrans-60.5-29.2-174.8-78.8-43000113.1G303D301-G303 PolarHBondContact O-N 3.19Å
302E78.8Confident89.2Confident150 Ų15052 Ų5270%0.70129%0.287SS*.THydrogen-bonded Turntrans-76.2-3.8172.9-63.475.9-167.700113.9D300 L304D300-E302 PolarHBondContact O-N 2.91Å; E302-L304 HydrophobicContact CB-CD1 4.22Å; E302-L304 HydrophobicContact CB-CG 4.32Å
303G78.2Confident89.2Confident4 Ų453.1 Ų53.14%0.04129%0.293CS..SBendtrans77.815.8-177.200000114.8D300 D301D300-G303 WeakPolarHBondContact O-CA 3.18Å; D300-G303 PolarHBondContact O-N 2.91Å; D301-G303 PolarHBondContact O-N 3.19Å
304L83.8Confident88.9Confident117 Ų11753.3 Ų53.361%0.61329%0.294SS*.  trans-102.4168.1-175.6-67174.1000113D300 E302D300-L304 PolarHBondContact N-O 3.35Å; E302-L304 HydrophobicContact CB-CD1 4.22Å; E302-L304 HydrophobicContact CB-CG 4.32Å
305C88.1Confident88.4Confident32 Ų3260.2 Ų60.222%0.21633%0.328CS..  trans-123.197179.2-67.20000111.8A307 G308 C343C305-A307 PolarHBondContact O-N 3.44Å; C305-G308 WeakPolarHBondContact CB-O 3.49Å; C305-C343 WeakPolarHBondContact CA-SG 3.48Å; C305-C343 HydrophobicContact CB-CB 3.81Å; C305-C343 WeakPolarHBondContact CB-SG 3.13Å; C305-C343 WeakPolarHBondContact SG-CA 3.38Å; C305-C343 WeakPolarHBondContact SG-CB 3.32Å; C305-C343 CovalentContact SG-SG 2.03Å; C305-C343 PolarHBondContact SG-SG 3.17Å
306P83.1Confident87.9Confident98 Ų9861.6 Ų61.664%0.63634%0.338SS*.SBendtrans-70-10.4173.927.6-40.1000115.3R297 D300R297-P306 VanDerWaalsContact NH2-CD 3.25Å; D300-P306 VanDerWaalsContact CG-CD 3.5Å; D300-P306 WeakPolarHBondContact OD1-CD 3.41Å; D300-P306 WeakPolarHBondContact OD2-CD 3.18Å; D300-P306 WeakPolarHBondContact OD2-CG 3.48Å
307A82.9Confident87.3Confident60 Ų6063.8 Ų63.850%0.49635%0.349SS..SBendtrans-155.2128.9178.900000110.1R297 C305R297-A307 PolarHBondContact NE-O 3.42Å; R297-A307 PolarHBondContact NH2-O 2.75Å; C305-A307 PolarHBondContact O-N 3.44Å
308G87.3Confident86.9Confident29 Ų2964.4 Ų64.430%0.29936%0.356SS..SBendtrans75.3161.6-169.500000112.9C305 C344C305-G308 WeakPolarHBondContact CB-O 3.49Å; G308-C344 CarbonylContact C-O 3.51Å; G308-C344 WeakPolarHBondContact CA-O 3.3Å
309Q91.3Very high86.5Confident66 Ų6661.3 Ų61.331%0.30835%0.348SS..EExtended strand (participates in β ladder)trans-80.7145.3-173.7-179.360.9-29.300112.4C311 C343 C344 I349 F363 L365Q309-C311 PolarHBondContact O-N 2.8Å; Q309-C343 CarbonylContact O-C 3.57Å; Q309-C343 WeakPolarHBondContact O-CA 3.47Å; Q309-C344 PolarHBondContact N-O 3.36Å; Q309-C344 PolarHBondContact O-N 3.12Å; Q309-I349 HydrophobicContact CB-CG2 4.21Å; Q309-F363 HydrophobicContact CG-CE2 3.85Å; Q309-F363 HydrophobicContact CG-CZ 4.08Å; Q309-L365 HydrophobicContact CG-CD2 4.38Å
310L91.4Very high86.2Confident46 Ų4662.6 Ų62.624%0.24136%0.358CS..EExtended strand (participates in β ladder)trans-63.8128.7171.5178.266.5000109.9V299 L329 K341V299-L310 HydrophobicContact CG1-CD1 4.12Å; L310-L329 HydrophobicContact CD2-CD1 4.13Å; L310-K341 HydrophobicContact CD1-CB 3.99Å; L310-K341 HydrophobicContact CD1-CD 4.3Å; L310-K341 HydrophobicContact CD1-CG 4.26Å
311C93.5Very high86.1Confident0 Ų061.6 Ų61.60%035%0.352CS..EExtended strand (participates in β ladder)trans-132.4144.9175.259.20000111.7Q309 K342 C344 L365Q309-C311 PolarHBondContact O-N 2.8Å; C311-K342 PolarHBondContact N-O 2.85Å; C311-K342 PolarHBondContact O-N 2.84Å; C311-K342 VanDerWaalsContact O-O 3.1Å; C311-K342 PolarHBondContact SG-O 3.5Å; C311-C344 HydrophobicContact CB-CB 3.81Å; C311-C344 WeakPolarHBondContact CB-SG 3.47Å; C311-C344 WeakPolarHBondContact SG-CB 3.35Å; C311-C344 PolarHBondContact SG-N 3.38Å; C311-C344 CovalentContact SG-SG 2.04Å; C311-C344 PolarHBondContact SG-SG 3.11Å; C311-L365 CarbonylContact C-O 3.54Å; C311-L365 VanDerWaalsContact CA-O 3.28Å; C311-L365 WeakPolarHBondContact CA-O 3.5Å; C311-L365 HydrophobicContact CB-CB 4Å; C311-L365 HydrophobicContact CB-CD2 3.83Å; C311-L365 HydrophobicContact CB-CG 3.69Å
312L93.1Very high86.2Confident2 Ų254.6 Ų54.61%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-90.1135.3176.9-62-173.2000111.7P314 L325 F326 L329 V336 F340 K341 L365 Y366 I367L312-P314 WeakPolarHBondContact O-CD 3.34Å; L312-L325 HydrophobicContact CD1-CB 3.92Å; L312-F326 HydrophobicContact CD1-CD1 3.94Å; L312-F326 HydrophobicContact CD1-CD2 4.39Å; L312-F326 HydrophobicContact CD1-CE1 3.65Å; L312-F326 HydrophobicContact CD1-CE2 4.15Å; L312-F326 HydrophobicContact CD1-CG 4.3Å; L312-F326 HydrophobicContact CD1-CZ 3.79Å; L312-F326 HydrophobicContact CG-CE1 4.25Å; L312-F326 HydrophobicContact CG-CZ 4.33Å; L312-L329 HydrophobicContact CD1-CD2 4.42Å; L312-V336 HydrophobicContact CD2-CG1 4.08Å; L312-F340 CarbonylContact C-O 3.49Å; L312-F340 WeakPolarHBondContact CA-O 3.35Å; L312-K341 HydrophobicContact CD2-CG 4.25Å; L312-L365 PolarHBondContact N-O 3.5Å; L312-Y366 CarbonylContact O-C 3.22Å; L312-Y366 VanDerWaalsContact O-CA 3.25Å; L312-Y366 WeakPolarHBondContact O-CA 3.3Å; L312-Y366 WeakPolarHBondContact O-CB 3.44Å; L312-I367 PolarHBondContact O-N 2.96Å
313D93.1Very high86.6Confident24 Ų2450.7 Ų50.713%0.12830%0.298CS..  trans-11095.5171.4-177.43.9000108.9M315 F340 K342 I367D313-M315 WeakPolarHBondContact OD1-CG 3.35Å; D313-M315 PolarHBondContact OD1-N 3.33Å; D313-F340 PolarHBondContact N-O 2.89Å; D313-F340 VanDerWaalsContact O-CD1 3.24Å; D313-F340 WeakPolarHBondContact O-CD1 3.05Å; D313-K342 HydrophobicContact CB-CG 3.96Å; D313-I367 HydrophobicContact CB-CD1 4.23Å
314P87Confident87Confident4 Ų458.8 Ų58.83%0.02633%0.327CS..  trans-76.7-21.4-175.330.9-35.1000113.2L312 T316 M321 L322 L325 I367L312-P314 WeakPolarHBondContact O-CD 3.34Å; P314-T316 HydrophobicContact CB-CG2 4.32Å; P314-T316 PolarHBondContact O-N 3.28Å; P314-M321 HydrophobicContact CB-CE 4.29Å; P314-M321 HydrophobicContact CB-SD 4.14Å; P314-M321 WeakPolarHBondContact O-CE 3.07Å; P314-L322 HydrophobicContact CB-CD1 4.04Å; P314-L322 HydrophobicContact CG-CD1 3.97Å; P314-L325 HydrophobicContact CB-CD1 4.39Å; P314-I367 VanDerWaalsContact CD-O 3.26Å; P314-I367 WeakPolarHBondContact CD-O 3.41Å
315M85.7Confident87.1Confident145 Ų14554 Ų5471%0.71430%0.302SS*.  trans5124.8-173-62.4-74-80.400114.3D313D313-M315 WeakPolarHBondContact OD1-CG 3.35Å; D313-M315 PolarHBondContact OD1-N 3.33Å
316T83.7Confident87.1Confident55 Ų5552.7 Ų52.734%0.33729%0.293SS..SBendtrans-158.2154.4-178.4-1700000111.9P314 D318 M321P314-T316 HydrophobicContact CB-CG2 4.32Å; P314-T316 PolarHBondContact O-N 3.28Å; T316-D318 HydrophobicContact CG2-CB 4.26Å; T316-D318 PolarHBondContact OG1-N 3.48Å; T316-M321 HydrophobicContact CG2-CB 4.27Å; T316-M321 HydrophobicContact CG2-CE 3.79Å; T316-M321 HydrophobicContact CG2-CG 4.03Å; T316-M321 HydrophobicContact CG2-SD 3.64Å
317N80.5Confident87.1Confident94 Ų9452.2 Ų52.250%0.50329%0.292SS..  trans-96.213.1175.6-62.345.3000112.8S319 D370N317-S319 PolarHBondContact O-N 3.44Å; N317-D370 PolarHBondContact ND2-OD2 3.32Å; N317-D370 WeakPolarHBondContact OD1-CB 3.35Å; N317-D370 PolarHBondContact OD1-N 3.32Å
318D84.9Confident87.2Confident74 Ų7450.3 Ų50.340%0.39628%0.275SS..  trans-79.9101.9176.1-177.1-7.6000110.5T316 S320 M321 L322T316-D318 HydrophobicContact CG2-CB 4.26Å; T316-D318 PolarHBondContact OG1-N 3.48Å; D318-S320 PolarHBondContact O-N 3.4Å; D318-S320 WeakPolarHBondContact OD1-CA 3.19Å; D318-S320 VanDerWaalsContact OD1-CB 3.32Å; D318-S320 WeakPolarHBondContact OD1-CB 3.35Å; D318-S320 PolarHBondContact OD1-N 2.95Å; D318-S320 PolarHBondContact OD1-OG 3.46Å; D318-S320 PolarHBondContact OD2-OG 3.33Å; D318-M321 HydrophobicContact CB-CB 4.01Å; D318-M321 WeakPolarHBondContact O-CB 3.32Å; D318-M321 PolarHBondContact O-N 3.15Å; D318-M321 PolarHBondContact OD1-N 2.96Å; D318-L322 PolarHBondContact O-N 2.97Å; D318-L322 VanDerWaalsContact O-N 3.13Å
319S84.2Confident87Confident54 Ų5450.6 Ų50.638%0.37827%0.27SS..Hα-helixtrans-54.8-34.7176.757.90000113.2N317 M321 L322 D323 T392N317-S319 PolarHBondContact O-N 3.44Å; S319-M321 VanDerWaalsContact C-N 3.25Å; S319-M321 PolarHBondContact O-N 3.02Å; S319-L322 WeakPolarHBondContact O-CB 3.25Å; S319-L322 PolarHBondContact O-N 2.89Å; S319-D323 PolarHBondContact O-N 3.37Å; S319-T392 VanDerWaalsContact CB-CG2 3.43Å
320S85.3Confident86.3Confident46 Ų4653 Ų5332%0.32228%0.28SS..Hα-helixtrans-72.9-19179.781.60000113.3D318 R324D318-S320 PolarHBondContact O-N 3.4Å; D318-S320 WeakPolarHBondContact OD1-CA 3.19Å; D318-S320 VanDerWaalsContact OD1-CB 3.32Å; D318-S320 WeakPolarHBondContact OD1-CB 3.35Å; D318-S320 PolarHBondContact OD1-N 2.95Å; D318-S320 PolarHBondContact OD1-OG 3.46Å; D318-S320 PolarHBondContact OD2-OG 3.33Å; S320-R324 VanDerWaalsContact O-CD 3.28Å; S320-R324 WeakPolarHBondContact O-CD 3.07Å; S320-R324 VanDerWaalsContact O-CG 3.23Å; S320-R324 WeakPolarHBondContact O-CG 3.29Å; S320-R324 PolarHBondContact O-NE 2.9Å
321M87.1Confident85.6Confident39 Ų3952.8 Ų52.819%0.19228%0.283CS..Hα-helixtrans-81.2-44.6169.4178.9-79.7-155.600110.2P314 T316 D318 S319 D323 R324 L325 F340P314-M321 HydrophobicContact CB-CE 4.29Å; P314-M321 HydrophobicContact CB-SD 4.14Å; P314-M321 WeakPolarHBondContact O-CE 3.07Å; T316-M321 HydrophobicContact CG2-CB 4.27Å; T316-M321 HydrophobicContact CG2-CE 3.79Å; T316-M321 HydrophobicContact CG2-CG 4.03Å; T316-M321 HydrophobicContact CG2-SD 3.64Å; D318-M321 HydrophobicContact CB-CB 4.01Å; D318-M321 WeakPolarHBondContact O-CB 3.32Å; D318-M321 PolarHBondContact O-N 3.15Å; D318-M321 PolarHBondContact OD1-N 2.96Å; S319-M321 VanDerWaalsContact C-N 3.25Å; S319-M321 PolarHBondContact O-N 3.02Å; M321-D323 PolarHBondContact O-N 2.85Å; M321-R324 WeakPolarHBondContact O-CB 3.34Å; M321-R324 PolarHBondContact O-N 3.08Å; M321-L325 HydrophobicContact CE-CD1 3.8Å; M321-L325 HydrophobicContact CE-CG 4.45Å; M321-L325 PolarHBondContact O-N 2.84Å; M321-L325 HydrophobicContact SD-CD1 3.57Å; M321-L325 VanDerWaalsContact SD-CD1 3.57Å; M321-L325 HydrophobicContact SD-CG 3.96Å; M321-F340 HydrophobicContact CE-CE1 3.97Å; M321-F340 HydrophobicContact CE-CE2 4.08Å; M321-F340 HydrophobicContact CE-CZ 3.6Å
322L87.4Confident84.1Confident8 Ų858.5 Ų58.54%0.04232%0.323CS..Hα-helixtrans-56.9-49.4176.1-169.188.8000111.9P314 D318 S319 R324 L325 F326 Y366P314-L322 HydrophobicContact CB-CD1 4.04Å; P314-L322 HydrophobicContact CG-CD1 3.97Å; D318-L322 PolarHBondContact O-N 2.97Å; D318-L322 VanDerWaalsContact O-N 3.13Å; S319-L322 WeakPolarHBondContact O-CB 3.25Å; S319-L322 PolarHBondContact O-N 2.89Å; L322-R324 PolarHBondContact O-N 3.33Å; L322-L325 WeakPolarHBondContact O-CB 3.49Å; L322-L325 PolarHBondContact O-N 2.85Å; L322-F326 HydrophobicContact CD1-CE2 4Å; L322-F326 HydrophobicContact CD2-CD2 4.44Å; L322-F326 HydrophobicContact CD2-CE2 4.15Å; L322-F326 HydrophobicContact CG-CD2 3.97Å; L322-F326 HydrophobicContact CG-CE2 3.8Å; L322-F326 WeakPolarHBondContact O-CD2 3.42Å; L322-F326 PolarHBondContact O-N 3.15Å; L322-Y366 HydrophobicContact CD1-CD2 3.58Å; L322-Y366 HydrophobicContact CD1-CE2 3.86Å; L322-Y366 HydrophobicContact CD1-CG 3.97Å; L322-Y366 HydrophobicContact CD2-CD2 4.37Å; L322-Y366 HydrophobicContact CD2-CE1 4.13Å; L322-Y366 HydrophobicContact CD2-CE2 3.92Å
323D86.5Confident83.1Confident68 Ų6864.5 Ų64.536%0.36436%0.355SS..Hα-helixtrans-62.1-31.7179.2-71.3-32.3000112.5R284 S319 M321 S327R284-D323 IonicContact CZ-OD1 3.43Å; R284-D323 VanDerWaalsContact CZ-OD1 3.25Å; R284-D323 IonicContact NH1-OD1 2.77Å; R284-D323 PolarHBondContact NH1-OD1 2.8Å; R284-D323 IonicContact NH2-OD1 3.28Å; R284-D323 PolarHBondContact NH2-OD1 3.29Å; S319-D323 PolarHBondContact O-N 3.37Å; M321-D323 PolarHBondContact O-N 2.85Å; D323-S327 VanDerWaalsContact O-CB 3.3Å; D323-S327 WeakPolarHBondContact O-CB 3.39Å; D323-S327 PolarHBondContact O-N 3.05Å; D323-S327 PolarHBondContact O-OG 3.27Å
324R86.5Confident82Confident173 Ų17366.7 Ų66.765%0.65337%0.367SS*.Hα-helixtrans-71.4-37.8173.2-70.9170.2-167.9162.210.3112.3S320 M321 L322 S327 S328S320-R324 VanDerWaalsContact O-CD 3.28Å; S320-R324 WeakPolarHBondContact O-CD 3.07Å; S320-R324 VanDerWaalsContact O-CG 3.23Å; S320-R324 WeakPolarHBondContact O-CG 3.29Å; S320-R324 PolarHBondContact O-NE 2.9Å; M321-R324 WeakPolarHBondContact O-CB 3.34Å; M321-R324 PolarHBondContact O-N 3.08Å; L322-R324 PolarHBondContact O-N 3.33Å; R324-S327 PolarHBondContact O-N 3.07Å; R324-S328 WeakPolarHBondContact O-CB 3.5Å; R324-S328 PolarHBondContact O-N 2.97Å
325L87.2Confident81.6Confident16 Ų1671 Ų718%0.08439%0.393CS..Hα-helixtrans-63.5-46.4174.5-66.9-179.1000110.6L312 P314 M321 L322 S328 L329 V336 F340L312-L325 HydrophobicContact CD1-CB 3.92Å; P314-L325 HydrophobicContact CB-CD1 4.39Å; M321-L325 HydrophobicContact CE-CD1 3.8Å; M321-L325 HydrophobicContact CE-CG 4.45Å; M321-L325 PolarHBondContact O-N 2.84Å; M321-L325 HydrophobicContact SD-CD1 3.57Å; M321-L325 VanDerWaalsContact SD-CD1 3.57Å; M321-L325 HydrophobicContact SD-CG 3.96Å; L322-L325 WeakPolarHBondContact O-CB 3.49Å; L322-L325 PolarHBondContact O-N 2.85Å; L325-S328 WeakPolarHBondContact O-CB 3.16Å; L325-S328 PolarHBondContact O-N 3.4Å; L325-L329 WeakPolarHBondContact O-CB 3.12Å; L325-L329 PolarHBondContact O-N 3.5Å; L325-V336 HydrophobicContact CD2-CG1 4.43Å; L325-V336 WeakPolarHBondContact O-CG2 3.27Å; L325-F340 HydrophobicContact CD1-CD2 4.36Å; L325-F340 HydrophobicContact CD2-CD2 3.86Å; L325-F340 HydrophobicContact CD2-CE2 4.16Å
326F86.7Confident81.5Confident6 Ų664.5 Ų64.53%0.02636%0.361CS..Hα-helixtrans-65.2-40.1176-77.1-65.9000113.1R284 L312 L322 S328 L329 H330 D364 Y366R284-F326 VanDerWaalsContact CD-CE2 3.46Å; R284-F326 HydrophobicContact CG-CE2 4.02Å; R284-F326 HydrophobicContact CG-CZ 4.06Å; L312-F326 HydrophobicContact CD1-CD1 3.94Å; L312-F326 HydrophobicContact CD1-CD2 4.39Å; L312-F326 HydrophobicContact CD1-CE1 3.65Å; L312-F326 HydrophobicContact CD1-CE2 4.15Å; L312-F326 HydrophobicContact CD1-CG 4.3Å; L312-F326 HydrophobicContact CD1-CZ 3.79Å; L312-F326 HydrophobicContact CG-CE1 4.25Å; L312-F326 HydrophobicContact CG-CZ 4.33Å; L322-F326 HydrophobicContact CD1-CE2 4Å; L322-F326 HydrophobicContact CD2-CD2 4.44Å; L322-F326 HydrophobicContact CD2-CE2 4.15Å; L322-F326 HydrophobicContact CG-CD2 3.97Å; L322-F326 HydrophobicContact CG-CE2 3.8Å; L322-F326 WeakPolarHBondContact O-CD2 3.42Å; L322-F326 PolarHBondContact O-N 3.15Å; F326-S328 PolarHBondContact O-N 3.12Å; F326-L329 HydrophobicContact CD1-CD2 4.32Å; F326-L329 HydrophobicContact CE1-CD2 4.48Å; F326-L329 PolarHBondContact O-N 2.98Å; F326-H330 PolarHBondContact O-N 3.27Å; F326-H330 PolarHBondContact O-ND1 3.42Å; F326-D364 HydrophobicContact CD1-CB 3.96Å; F326-D364 WeakPolarHBondContact CD1-OD1 3.21Å; F326-D364 WeakPolarHBondContact CD1-OD2 3.27Å; F326-D364 HydrophobicContact CE1-CB 3.41Å; F326-D364 VanDerWaalsContact CE1-CB 3.41Å; F326-D364 WeakPolarHBondContact CE1-OD1 3.32Å; F326-D364 HydrophobicContact CZ-CB 3.95Å; F326-Y366 HydrophobicContact CE2-CD1 4.13Å; F326-Y366 HydrophobicContact CE2-CG 4.36Å; F326-Y366 HydrophobicContact CZ-CD1 4.13Å; F326-Y366 HydrophobicContact CZ-CG 4.38Å
327S84.5Confident81.6Confident87 Ų8764.7 Ų64.761%0.60836%0.364SS*.Hα-helixtrans-62.5-32.1173.3-58.30000112.7D323 R324 S331D323-S327 VanDerWaalsContact O-CB 3.3Å; D323-S327 WeakPolarHBondContact O-CB 3.39Å; D323-S327 PolarHBondContact O-N 3.05Å; D323-S327 PolarHBondContact O-OG 3.27Å; R324-S327 PolarHBondContact O-N 3.07Å; S327-S331 PolarHBondContact O-N 3.02Å
328S83.8Confident81.8Confident20 Ų2064.7 Ų64.714%0.1436%0.363CS..Hα-helixtrans-75.2-37.9175.6172.80000112R324 L325 F326 S331 T335 V336R324-S328 WeakPolarHBondContact O-CB 3.5Å; R324-S328 PolarHBondContact O-N 2.97Å; L325-S328 WeakPolarHBondContact O-CB 3.16Å; L325-S328 PolarHBondContact O-N 3.4Å; F326-S328 PolarHBondContact O-N 3.12Å; S328-S331 WeakPolarHBondContact O-CB 3.26Å; S328-S331 PolarHBondContact O-N 2.94Å; S328-S331 PolarHBondContact O-OG 3.38Å; S328-T335 WeakPolarHBondContact OG-CA 3.23Å; S328-T335 WeakPolarHBondContact OG-CB 3.31Å; S328-T335 PolarHBondContact OG-OG1 3.32Å; S328-V336 WeakPolarHBondContact OG-CG2 3.14Å; S328-V336 PolarHBondContact OG-N 3.14Å
329L82.6Confident81.9Confident36 Ų3667.7 Ų67.719%0.18837%0.372CS..Hα-helixtrans-65.2-41.4177.3-167.867.7000111.9L310 L312 L325 F326 S331 V336L310-L329 HydrophobicContact CD2-CD1 4.13Å; L312-L329 HydrophobicContact CD1-CD2 4.42Å; L325-L329 WeakPolarHBondContact O-CB 3.12Å; L325-L329 PolarHBondContact O-N 3.5Å; F326-L329 HydrophobicContact CD1-CD2 4.32Å; F326-L329 HydrophobicContact CE1-CD2 4.48Å; F326-L329 PolarHBondContact O-N 2.98Å; L329-S331 PolarHBondContact O-N 3.18Å; L329-V336 HydrophobicContact CB-CG2 3.93Å; L329-V336 HydrophobicContact CD1-CG2 4.18Å
330H78.4Confident82.2Confident115 Ų11566.6 Ų66.653%0.53236%0.361SS..THydrogen-bonded Turntrans-77.3-3.9176.1-6980000113.7H282 F326 D364H282-H330 AromaticContact CE1-NE2 3.94Å; H282-H330 AromaticContact NE2-NE2 3.74Å; F326-H330 PolarHBondContact O-N 3.27Å; F326-H330 PolarHBondContact O-ND1 3.42Å; H330-D364 IonicContact CE1-OD1 2.74Å; H330-D364 PolarHBondContact CE1-OD1 2.98Å; H330-D364 IonicContact CE1-OD2 3.2Å; H330-D364 PolarHBondContact CE1-OD2 2.81Å; H330-D364 VanDerWaalsContact CE1-OD2 3.3Å; H330-D364 IonicContact NE2-OD2 2.72Å
331S76.4Confident82.4Confident43 Ų4364.8 Ų64.830%0.30135%0.347SS..SBendtrans-77145.3174.679.50000110.5S327 S328 L329 N333 D334S327-S331 PolarHBondContact O-N 3.02Å; S328-S331 WeakPolarHBondContact O-CB 3.26Å; S328-S331 PolarHBondContact O-N 2.94Å; S328-S331 PolarHBondContact O-OG 3.38Å; L329-S331 PolarHBondContact O-N 3.18Å; S331-N333 PolarHBondContact O-N 2.63Å; S331-D334 PolarHBondContact O-N 3.34Å; S331-D334 VanDerWaalsContact O-N 3.08Å
332S61.8Low82.8Confident120 Ų12064.2 Ų64.284%0.83934%0.344SS*.THydrogen-bonded Turntrans-58.1-9.4-175.660.50000115.9
333N71Confident83.1Confident128 Ų12863.9 Ų63.968%0.68434%0.342SS*.THydrogen-bonded Turntrans-121.28.2-172.9-58.411.2000112.4S331 T335S331-N333 PolarHBondContact O-N 2.63Å; N333-T335 HydrophobicContact CB-CG2 4.48Å; N333-T335 PolarHBondContact O-N 3.24Å
334D71.2Confident83.5Confident69 Ų6960.6 Ų60.637%0.36932%0.324SS..  trans33.173.7178.5-174.8-1.5000113.9S331 V336 K341S331-D334 PolarHBondContact O-N 3.34Å; S331-D334 VanDerWaalsContact O-N 3.08Å; D334-V336 PolarHBondContact O-N 3.23Å; D334-V336 PolarHBondContact OD1-N 2.81Å; D334-K341 IonicContact OD1-NZ 3.91Å; D334-K341 PolarHBondContact OD1-NZ 3.49Å; D334-K341 IonicContact OD2-NZ 2.85Å; D334-K341 PolarHBondContact OD2-NZ 3.37Å
335T78.4Confident84Confident96 Ų9656 Ų5659%0.58931%0.307SS*.  trans-83.414.7-174.145.40000113.7S328 N333 P337S328-T335 WeakPolarHBondContact OG-CA 3.23Å; S328-T335 WeakPolarHBondContact OG-CB 3.31Å; S328-T335 PolarHBondContact OG-OG1 3.32Å; N333-T335 HydrophobicContact CB-CG2 4.48Å; N333-T335 PolarHBondContact O-N 3.24Å; T335-P337 WeakPolarHBondContact O-CD 3.25Å
336V83.1Confident84.3Confident7 Ų755.2 Ų55.24%0.04230%0.304CS..  trans-78.9120.6-177.6177.40000110.6L312 L325 S328 L329 D334 I338 F340 K341L312-V336 HydrophobicContact CD2-CG1 4.08Å; L325-V336 HydrophobicContact CD2-CG1 4.43Å; L325-V336 WeakPolarHBondContact O-CG2 3.27Å; S328-V336 WeakPolarHBondContact OG-CG2 3.14Å; S328-V336 PolarHBondContact OG-N 3.14Å; L329-V336 HydrophobicContact CB-CG2 3.93Å; L329-V336 HydrophobicContact CD1-CG2 4.18Å; D334-V336 PolarHBondContact O-N 3.23Å; D334-V336 PolarHBondContact OD1-N 2.81Å; V336-I338 PolarHBondContact O-N 3.04Å; V336-F340 HydrophobicContact CG1-CB 4.47Å; V336-K341 HydrophobicContact CG1-CG 4.07Å; V336-K341 WeakPolarHBondContact O-CE 3.43Å
337P85.9Confident84.7Confident60 Ų6055.1 Ų55.139%0.3930%0.303SS..  trans-59.1131.3178.6-25.634.7000113.1T335 K339 F340T335-P337 WeakPolarHBondContact O-CD 3.25Å; P337-K339 HydrophobicContact CB-CG 3.85Å; P337-K339 PolarHBondContact O-N 2.59Å; P337-F340 HydrophobicContact CB-CD2 4.2Å; P337-F340 HydrophobicContact CG-CD2 4.2Å; P337-F340 HydrophobicContact CG-CE2 4.47Å; P337-F340 PolarHBondContact O-N 3.01Å
338I85.3Confident85.3Confident94 Ų9451 Ų5148%0.48227%0.274SS..G310 helixtrans-46.1-39.2-179.7-63.3176.5000112.8V299 V336 F340 K341V299-I338 HydrophobicContact CG2-CG2 3.63Å; V336-I338 PolarHBondContact O-N 3.04Å; I338-F340 PolarHBondContact O-N 3.29Å; I338-K341 PolarHBondContact O-N 3.38Å
339K86.7Confident85.9Confident137 Ų13750.1 Ų50.160%0.59627%0.268SS*.G310 helixtrans-57.1-17177.159.9147.2-174.3161.90116.2P337P337-K339 HydrophobicContact CB-CG 3.85Å; P337-K339 PolarHBondContact O-N 2.59Å
340F90.1Very high86.5Confident31 Ų3149.5 Ų49.514%0.13626%0.264CS..G310 helixtrans-104.93.7176.9-63.5-45.9000112.2L312 D313 M321 L325 V336 P337 I338L312-F340 CarbonylContact C-O 3.49Å; L312-F340 WeakPolarHBondContact CA-O 3.35Å; D313-F340 PolarHBondContact N-O 2.89Å; D313-F340 VanDerWaalsContact O-CD1 3.24Å; D313-F340 WeakPolarHBondContact O-CD1 3.05Å; M321-F340 HydrophobicContact CE-CE1 3.97Å; M321-F340 HydrophobicContact CE-CE2 4.08Å; M321-F340 HydrophobicContact CE-CZ 3.6Å; L325-F340 HydrophobicContact CD1-CD2 4.36Å; L325-F340 HydrophobicContact CD2-CD2 3.86Å; L325-F340 HydrophobicContact CD2-CE2 4.16Å; V336-F340 HydrophobicContact CG1-CB 4.47Å; P337-F340 HydrophobicContact CB-CD2 4.2Å; P337-F340 HydrophobicContact CG-CD2 4.2Å; P337-F340 HydrophobicContact CG-CE2 4.47Å; P337-F340 PolarHBondContact O-N 3.01Å; I338-F340 PolarHBondContact O-N 3.29Å
341K90.8Very high87.4Confident8 Ų844 Ų444%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-105.4134.8176.3-61.9-176179.2177.40109.7V299 L310 L312 D334 V336 I338V299-K341 HydrophobicContact CG1-CB 3.74Å; V299-K341 HydrophobicContact CG2-CB 4.09Å; L310-K341 HydrophobicContact CD1-CB 3.99Å; L310-K341 HydrophobicContact CD1-CD 4.3Å; L310-K341 HydrophobicContact CD1-CG 4.26Å; L312-K341 HydrophobicContact CD2-CG 4.25Å; D334-K341 IonicContact OD1-NZ 3.91Å; D334-K341 PolarHBondContact OD1-NZ 3.49Å; D334-K341 IonicContact OD2-NZ 2.85Å; D334-K341 PolarHBondContact OD2-NZ 3.37Å; V336-K341 HydrophobicContact CG1-CG 4.07Å; V336-K341 WeakPolarHBondContact O-CE 3.43Å; I338-K341 PolarHBondContact O-N 3.38Å
342K93.8Very high88.3Confident27 Ų2742 Ų4212%0.11723%0.225CC..EExtended strand (participates in β ladder)trans-133.7162.2171.7-57.5-65.6175.5-174.30108.3R297 E298 C311 D313 I367R297-K342 WeakPolarHBondContact O-CA 3.43Å; E298-K342 IonicContact OE1-NZ 3.13Å; E298-K342 PolarHBondContact OE1-NZ 3.04Å; E298-K342 IonicContact OE2-NZ 2.74Å; E298-K342 PolarHBondContact OE2-NZ 2.99Å; C311-K342 PolarHBondContact N-O 2.85Å; C311-K342 PolarHBondContact O-N 2.84Å; C311-K342 VanDerWaalsContact O-O 3.1Å; C311-K342 PolarHBondContact SG-O 3.5Å; D313-K342 HydrophobicContact CB-CG 3.96Å; K342-I367 HydrophobicContact CG-CD1 4.45Å
343C94.5Very high89.9Confident0 Ų039.7 Ų39.70%020%0.201CC..EExtended strand (participates in β ladder)trans-104.2119.2164.2-47.60000108.9T296 R297 C305 Q309T296-C343 WeakPolarHBondContact CA-O 2.99Å; R297-C343 HydrophobicContact CG-CB 3.68Å; R297-C343 VanDerWaalsContact CZ-SG 3.53Å; R297-C343 PolarHBondContact N-O 3.4Å; R297-C343 PolarHBondContact NH2-SG 3.1Å; R297-C343 VanDerWaalsContact NH2-SG 3.42Å; R297-C343 PolarHBondContact O-N 3.33Å; C305-C343 WeakPolarHBondContact CA-SG 3.48Å; C305-C343 HydrophobicContact CB-CB 3.81Å; C305-C343 WeakPolarHBondContact CB-SG 3.13Å; C305-C343 WeakPolarHBondContact SG-CA 3.38Å; C305-C343 WeakPolarHBondContact SG-CB 3.32Å; C305-C343 CovalentContact SG-SG 2.03Å; C305-C343 PolarHBondContact SG-SG 3.17Å; Q309-C343 CarbonylContact O-C 3.57Å; Q309-C343 WeakPolarHBondContact O-CA 3.47Å
344C95.8Very high91Very high0 Ų036.2 Ų36.20%018%0.181CC..EExtended strand (participates in β ladder)trans-93.8138.3177.5-72.90000110F295 G308 Q309 C311 I349 L365F295-C344 WeakPolarHBondContact O-CA 3.13Å; G308-C344 CarbonylContact C-O 3.51Å; G308-C344 WeakPolarHBondContact CA-O 3.3Å; Q309-C344 PolarHBondContact N-O 3.36Å; Q309-C344 PolarHBondContact O-N 3.12Å; C311-C344 HydrophobicContact CB-CB 3.81Å; C311-C344 WeakPolarHBondContact CB-SG 3.47Å; C311-C344 WeakPolarHBondContact SG-CB 3.35Å; C311-C344 PolarHBondContact SG-N 3.38Å; C311-C344 CovalentContact SG-SG 2.04Å; C311-C344 PolarHBondContact SG-SG 3.11Å; C344-I349 HydrophobicContact CB-CD1 4.3Å; C344-I349 HydrophobicContact CB-CG1 4.32Å; C344-L365 HydrophobicContact CB-CD2 3.71Å
345Y95.3Very high92.1Very high76 Ų7632.9 Ų32.930%0.29816%0.163SC..EExtended strand (participates in β ladder)trans-153159.3176.460.8-87.6000110.6F295 R297 W675F295-Y345 HydrophobicContact CB-CD1 4.23Å; F295-Y345 HydrophobicContact CB-CD2 3.79Å; F295-Y345 HydrophobicContact CB-CE1 3.84Å; F295-Y345 HydrophobicContact CB-CE2 3.38Å; F295-Y345 HydrophobicContact CB-CG 4.21Å; F295-Y345 VanDerWaalsContact CB-CZ 3.41Å; F295-Y345 HydrophobicContact CD1-CE2 4.37Å; F295-Y345 AromaticContact CD2-CD2 3.92Å; F295-Y345 HydrophobicContact CD2-CD2 3.92Å; F295-Y345 AromaticContact CD2-CE2 3.76Å; F295-Y345 HydrophobicContact CD2-CE2 3.76Å; F295-Y345 HydrophobicContact CG-CD2 4.12Å; F295-Y345 AromaticContact CG-CE2 3.61Å; F295-Y345 HydrophobicContact CG-CE2 3.61Å; F295-Y345 PolarHBondContact N-O 3.26Å; F295-Y345 PolarHBondContact O-N 3.28Å; F295-Y345 VanDerWaalsContact O-N 3.08Å; R297-Y345 HydrophobicContact CB-CE1 4.11Å; R297-Y345 HydrophobicContact CG-CD1 4.4Å; R297-Y345 HydrophobicContact CG-CE1 3.94Å; Y345-W675 AromaticContact CD2-CH2 3.77Å; Y345-W675 HydrophobicContact CD2-CH2 3.77Å; Y345-W675 AromaticContact CD2-CZ3 3.97Å; Y345-W675 HydrophobicContact CD2-CZ3 3.97Å; Y345-W675 HydrophobicContact CE2-CZ3 4.36Å
346G94.7Very high92.8Very high0 Ų028.9 Ų28.90%014%0.139CC..SBendtrans142-178.4179.500000112.9F293 C348 I349 D350 W675F293-G346 CarbonylContact O-C 3.41Å; F293-G346 VanDerWaalsContact O-C 3.31Å; F293-G346 WeakPolarHBondContact O-CA 3.45Å; G346-C348 PolarHBondContact O-N 2.92Å; G346-I349 PolarHBondContact O-N 3.37Å; G346-D350 PolarHBondContact O-N 3.44Å; G346-W675 VanDerWaalsContact C-CE2 3.44Å; G346-W675 VanDerWaalsContact CA-CZ2 3.45Å
347Y95.4Very high93.1Very high4 Ų434.3 Ų34.32%0.01616%0.164CC..Hα-helixtrans-52-42-178.2-172.6-72.2000112.8P292 F293 L351 F416 F417 M668 L671 H672 W675P292-Y347 PolarHBondContact O-N 2.72Å; F293-Y347 AromaticContact CD1-CD1 3.97Å; F293-Y347 HydrophobicContact CD1-CD1 3.97Å; F293-Y347 HydrophobicContact CD1-CG 4.09Å; F293-Y347 HydrophobicContact CE1-CD1 4.04Å; F293-Y347 HydrophobicContact CE1-CG 4.16Å; F293-Y347 PolarHBondContact O-N 2.87Å; F293-Y347 VanDerWaalsContact O-N 3.15Å; Y347-L351 WeakPolarHBondContact O-CB 3.5Å; Y347-L351 PolarHBondContact O-N 2.83Å; Y347-F416 HydrophobicContact CD1-CD2 4.48Å; Y347-F416 HydrophobicContact CD1-CE2 4.19Å; Y347-F416 AromaticContact CE1-CD2 3.76Å; Y347-F416 HydrophobicContact CE1-CD2 3.76Å; Y347-F416 AromaticContact CE1-CE2 3.91Å; Y347-F416 HydrophobicContact CE1-CE2 3.91Å; Y347-F417 HydrophobicContact CE1-CD2 4.35Å; Y347-F417 HydrophobicContact CE2-CD2 4.3Å; Y347-F417 HydrophobicContact CE2-CE2 4.37Å; Y347-F417 AromaticContact CZ-CD2 3.96Å; Y347-M668 PolarHBondContact OH-O 3.21Å; Y347-M668 PolarHBondContact OH-SD 3.36Å; Y347-L671 HydrophobicContact CD2-CB 3.73Å; Y347-L671 HydrophobicContact CE1-CB 4.5Å; Y347-L671 HydrophobicContact CE1-CD1 4.22Å; Y347-L671 HydrophobicContact CE2-CB 3.41Å; Y347-L671 VanDerWaalsContact CE2-CB 3.41Å; Y347-L671 HydrophobicContact CG-CB 4.4Å; Y347-H672 HydrophobicContact CE2-CB 4.26Å; Y347-W675 VanDerWaalsContact CA-CD1 3.44Å
348C96.6Very high93.2Very high0 Ų034.7 Ų34.70%016%0.163CC..Hα-helixtrans-78.4-20.5-178.9-78.80000113.5F293 V294 G346 L352 V397 T398F293-C348 HydrophobicContact CB-CB 4.43Å; F293-C348 WeakPolarHBondContact O-CB 3.46Å; F293-C348 PolarHBondContact O-N 2.91Å; V294-C348 HydrophobicContact CG2-CB 3.97Å; G346-C348 PolarHBondContact O-N 2.92Å; C348-L352 WeakPolarHBondContact O-CB 3.41Å; C348-L352 PolarHBondContact O-N 3.16Å; C348-V397 HydrophobicContact CB-CG1 4.06Å; C348-V397 WeakPolarHBondContact O-CG1 3.46Å; C348-T398 VanDerWaalsContact SG-C 3.54Å
349I96.3Very high93.3Very high1 Ų132.6 Ų32.61%0.00515%0.152CC..Hα-helixtrans-84-45.2177.6-51.3-51.9000110V294 Q309 C344 G346 L351 L352 E353 L365V294-I349 HydrophobicContact CG1-CD1 4.37Å; V294-I349 HydrophobicContact CG2-CD1 4.37Å; Q309-I349 HydrophobicContact CB-CG2 4.21Å; C344-I349 HydrophobicContact CB-CD1 4.3Å; C344-I349 HydrophobicContact CB-CG1 4.32Å; G346-I349 PolarHBondContact O-N 3.37Å; I349-L351 PolarHBondContact O-N 3.37Å; I349-L352 WeakPolarHBondContact O-CB 3.26Å; I349-L352 PolarHBondContact O-N 2.84Å; I349-E353 WeakPolarHBondContact O-CG 3.41Å; I349-E353 PolarHBondContact O-N 3.47Å; I349-L365 HydrophobicContact CD1-CD2 3.82Å
350D95.6Very high93.3Very high23 Ų2330.1 Ų30.112%0.12315%0.145CC..Hα-helixtrans-54.4-41.6171.3-68.6-7.5000112G346 E353 Q354 L671 K674 W675G346-D350 PolarHBondContact O-N 3.44Å; D350-E353 PolarHBondContact O-N 3.48Å; D350-Q354 PolarHBondContact O-N 3.31Å; D350-Q354 VanDerWaalsContact O-N 3.07Å; D350-L671 HydrophobicContact CB-CD2 3.55Å; D350-L671 WeakPolarHBondContact OD2-CD2 3.25Å; D350-K674 IonicContact OD1-NZ 2.8Å; D350-K674 PolarHBondContact OD1-NZ 2.79Å; D350-K674 VanDerWaalsContact OD2-CD 3.31Å; D350-K674 WeakPolarHBondContact OD2-CD 3.43Å; D350-K674 WeakPolarHBondContact OD2-CE 3.47Å; D350-K674 IonicContact OD2-NZ 3.19Å; D350-K674 PolarHBondContact OD2-NZ 3.26Å; D350-W675 PolarHBondContact OD2-NE1 2.95Å
351L96.3Very high93.3Very high0 Ų028.9 Ų28.90%014%0.14CC..Hα-helixtrans-68.7-34.4178.4178.259.3000112.3Y347 I349 L355 F416 Y662 F667 M668 L671Y347-L351 WeakPolarHBondContact O-CB 3.5Å; Y347-L351 PolarHBondContact O-N 2.83Å; I349-L351 PolarHBondContact O-N 3.37Å; L351-L355 HydrophobicContact CD1-CD1 4.41Å; L351-L355 HydrophobicContact CG-CD1 4.27Å; L351-L355 WeakPolarHBondContact O-CB 3.38Å; L351-L355 VanDerWaalsContact O-CG 3.31Å; L351-L355 WeakPolarHBondContact O-CG 3.07Å; L351-L355 PolarHBondContact O-N 3.43Å; L351-F416 HydrophobicContact CD2-CB 3.97Å; L351-F416 HydrophobicContact CD2-CD1 4.2Å; L351-F416 HydrophobicContact CD2-CD2 3.87Å; L351-F416 HydrophobicContact CD2-CE2 4.41Å; L351-F416 HydrophobicContact CD2-CG 3.76Å; L351-Y662 HydrophobicContact CD1-CD2 3.8Å; L351-Y662 HydrophobicContact CD1-CE2 3.94Å; L351-F667 HydrophobicContact CD1-CE1 4.29Å; L351-M668 HydrophobicContact CD1-CE 3.51Å; L351-M668 HydrophobicContact CD1-SD 4.49Å; L351-M668 HydrophobicContact CD2-CE 4.06Å; L351-M668 HydrophobicContact CG-CE 4.47Å; L351-L671 HydrophobicContact CB-CD1 4.05Å
352L96.6Very high93.2Very high0 Ų032 Ų320%016%0.156CC..Hα-helixtrans-71-40175.3176.958.3000111.5V285 C348 I349 L355 A356 F361 F363 L365 M395 V397V285-L352 HydrophobicContact CB-CD2 4.29Å; V285-L352 HydrophobicContact CG1-CD2 3.88Å; V285-L352 HydrophobicContact CG2-CD1 4.24Å; V285-L352 HydrophobicContact CG2-CD2 4.26Å; C348-L352 WeakPolarHBondContact O-CB 3.41Å; C348-L352 PolarHBondContact O-N 3.16Å; I349-L352 WeakPolarHBondContact O-CB 3.26Å; I349-L352 PolarHBondContact O-N 2.84Å; L352-L355 PolarHBondContact O-N 3.31Å; L352-A356 VanDerWaalsContact O-CB 3.31Å; L352-A356 WeakPolarHBondContact O-CB 3.25Å; L352-A356 PolarHBondContact O-N 3.05Å; L352-F361 HydrophobicContact CD1-CE2 4.14Å; L352-F361 HydrophobicContact CD1-CZ 4.08Å; L352-F363 HydrophobicContact CD2-CD2 3.73Å; L352-F363 HydrophobicContact CD2-CE2 3.4Å; L352-F363 VanDerWaalsContact CD2-CE2 3.4Å; L352-F363 HydrophobicContact CD2-CG 4.45Å; L352-F363 HydrophobicContact CD2-CZ 3.89Å; L352-F363 HydrophobicContact CG-CD1 4.44Å; L352-F363 HydrophobicContact CG-CD2 4.17Å; L352-F363 HydrophobicContact CG-CE1 4.1Å; L352-F363 HydrophobicContact CG-CE2 3.8Å; L352-F363 HydrophobicContact CG-CG 4.47Å; L352-F363 HydrophobicContact CG-CZ 3.77Å; L352-L365 HydrophobicContact CD2-CD1 4.31Å; L352-M395 HydrophobicContact CD1-SD 4.31Å; L352-V397 HydrophobicContact CB-CG1 4.37Å; L352-V397 HydrophobicContact CD1-CG2 4.4Å
353E94.1Very high93.2Very high73 Ų7331.9 Ų31.934%0.34116%0.156SC..Hα-helixtrans-59.8-48174.1-72.1170.4-169.900110.8I349 D350 L355 A356 E357 F363I349-E353 WeakPolarHBondContact O-CG 3.41Å; I349-E353 PolarHBondContact O-N 3.47Å; D350-E353 PolarHBondContact O-N 3.48Å; E353-L355 PolarHBondContact O-N 2.99Å; E353-A356 PolarHBondContact O-N 3.01Å; E353-E357 PolarHBondContact O-N 2.87Å; E353-F363 HydrophobicContact CG-CZ 4.39Å
354Q93.9Very high93.1Very high54 Ų5432.7 Ų32.725%0.25216%0.161SC..Hα-helixtrans-63-41.9176-166.86867.900112.7D350 A356 E357 D358 Y662 F667D350-Q354 PolarHBondContact O-N 3.31Å; D350-Q354 VanDerWaalsContact O-N 3.07Å; Q354-A356 VanDerWaalsContact C-N 3.29Å; Q354-A356 PolarHBondContact O-N 3.44Å; Q354-E357 PolarHBondContact O-N 2.92Å; Q354-D358 PolarHBondContact NE2-OD1 2.86Å; Q354-D358 WeakPolarHBondContact O-CB 3.49Å; Q354-D358 VanDerWaalsContact O-CG 3.31Å; Q354-D358 PolarHBondContact O-N 3.48Å; Q354-D358 VanDerWaalsContact O-OD1 3.14Å; Q354-Y662 HydrophobicContact CG-CE1 3.89Å; Q354-F667 HydrophobicContact CB-CE1 3.94Å; Q354-F667 HydrophobicContact CB-CZ 3.78Å; Q354-F667 HydrophobicContact CG-CE1 3.94Å; Q354-F667 HydrophobicContact CG-CE2 4.45Å; Q354-F667 HydrophobicContact CG-CZ 3.82Å
355L94.7Very high93.1Very high0 Ų032.9 Ų32.90%016%0.161CC..Hα-helixtrans-63.6-34.9175.7-78.7168.6000112.5L351 L352 E353 M359 F361 I643 I655 L658 Y662L351-L355 HydrophobicContact CD1-CD1 4.41Å; L351-L355 HydrophobicContact CG-CD1 4.27Å; L351-L355 WeakPolarHBondContact O-CB 3.38Å; L351-L355 VanDerWaalsContact O-CG 3.31Å; L351-L355 WeakPolarHBondContact O-CG 3.07Å; L351-L355 PolarHBondContact O-N 3.43Å; L352-L355 PolarHBondContact O-N 3.31Å; E353-L355 PolarHBondContact O-N 2.99Å; L355-M359 VanDerWaalsContact O-CB 3.26Å; L355-M359 WeakPolarHBondContact O-CB 3.38Å; L355-M359 WeakPolarHBondContact O-CG 3.26Å; L355-M359 PolarHBondContact O-N 3.11Å; L355-F361 HydrophobicContact CB-CE1 4.37Å; L355-F361 HydrophobicContact CB-CZ 4.25Å; L355-F361 WeakPolarHBondContact O-CE1 3.46Å; L355-I643 HydrophobicContact CD1-CD1 3.44Å; L355-I643 VanDerWaalsContact CD1-CD1 3.44Å; L355-I655 HydrophobicContact CD1-CG2 4.03Å; L355-I655 HydrophobicContact CD2-CG2 4.02Å; L355-L658 HydrophobicContact CD2-CB 4Å; L355-L658 HydrophobicContact CD2-CD1 4.05Å; L355-Y662 HydrophobicContact CD2-CE2 3.68Å; L355-Y662 HydrophobicContact CG-CE2 3.96Å
356A93Very high93.1Very high11 Ų1129.4 Ų29.49%0.09115%0.148CC..Hα-helixtrans-71.4-37.9177.800000112.4L352 E353 Q354 N360 F361 F363L352-A356 VanDerWaalsContact O-CB 3.31Å; L352-A356 WeakPolarHBondContact O-CB 3.25Å; L352-A356 PolarHBondContact O-N 3.05Å; E353-A356 PolarHBondContact O-N 3.01Å; Q354-A356 VanDerWaalsContact C-N 3.29Å; Q354-A356 PolarHBondContact O-N 3.44Å; A356-N360 VanDerWaalsContact O-CA 3.27Å; A356-N360 WeakPolarHBondContact O-CA 3.43Å; A356-N360 PolarHBondContact O-N 3.2Å; A356-F361 HydrophobicContact CB-CD2 3.95Å; A356-F361 HydrophobicContact CB-CE2 3.62Å; A356-F361 HydrophobicContact CB-CZ 3.93Å; A356-F361 PolarHBondContact O-N 2.89Å; A356-F361 VanDerWaalsContact O-N 3.15Å; A356-F363 HydrophobicContact CB-CD1 3.67Å; A356-F363 HydrophobicContact CB-CE1 3.65Å
357E89.1Confident93.1Very high122 Ų12229.7 Ų29.757%0.5715%0.149SC*.Hα-helixtrans-62.8-59.2170.3-69.9-165.7151.400110.4E353 Q354 M359 N360E353-E357 PolarHBondContact O-N 2.87Å; Q354-E357 PolarHBondContact O-N 2.92Å; E357-M359 VanDerWaalsContact C-N 3.32Å; E357-M359 PolarHBondContact O-N 2.99Å; E357-N360 PolarHBondContact O-N 3.08Å; E357-N360 VanDerWaalsContact O-N 3.07Å
358D88.9Confident93.1Very high68 Ų6829.7 Ų29.736%0.36415%0.15SC..Hα-helixtrans-63.6-31.4-173.2-67.819.2000114.1Q354 L658 Y662Q354-D358 PolarHBondContact NE2-OD1 2.86Å; Q354-D358 WeakPolarHBondContact O-CB 3.49Å; Q354-D358 VanDerWaalsContact O-CG 3.31Å; Q354-D358 PolarHBondContact O-N 3.48Å; Q354-D358 VanDerWaalsContact O-OD1 3.14Å; D358-L658 HydrophobicContact CB-CD1 4.22Å; D358-L658 HydrophobicContact CB-CD2 4.5Å; D358-Y662 WeakPolarHBondContact OD2-CE1 3.4Å; D358-Y662 VanDerWaalsContact OD2-CZ 3.26Å; D358-Y662 PolarHBondContact OD2-OH 3.03Å
359M87.6Confident92.8Very high50 Ų5030.7 Ų30.725%0.24616%0.16CC..Hα-helixtrans-97.9-2.3176.6-63.7-172.665.500113.8L355 E357 F361 L651 N654 I655 L658L355-M359 VanDerWaalsContact O-CB 3.26Å; L355-M359 WeakPolarHBondContact O-CB 3.38Å; L355-M359 WeakPolarHBondContact O-CG 3.26Å; L355-M359 PolarHBondContact O-N 3.11Å; E357-M359 VanDerWaalsContact C-N 3.32Å; E357-M359 PolarHBondContact O-N 2.99Å; M359-F361 VanDerWaalsContact C-N 3.35Å; M359-F361 HydrophobicContact CB-CD1 3.59Å; M359-F361 HydrophobicContact CB-CE1 3.92Å; M359-F361 HydrophobicContact CG-CE1 4.43Å; M359-F361 PolarHBondContact O-N 3.11Å; M359-F361 HydrophobicContact SD-CD1 4.46Å; M359-F361 HydrophobicContact SD-CE1 4.12Å; M359-L651 HydrophobicContact CE-CD2 4.1Å; M359-N654 HydrophobicContact CE-CB 4.12Å; M359-I655 HydrophobicContact CE-CG1 4.11Å; M359-I655 HydrophobicContact SD-CD1 4.42Å; M359-I655 HydrophobicContact SD-CG1 3.51Å; M359-I655 VanDerWaalsContact SD-CG1 3.51Å; M359-L658 HydrophobicContact CG-CD1 3.32Å; M359-L658 HydrophobicContact SD-CD1 3.81Å
360N87.1Confident92.4Very high84 Ų8432.8 Ų32.845%0.44917%0.171SC..THydrogen-bonded Turntrans50.947-178.5-172.537.1000113.9K280 A356 E357K280-N360 WeakPolarHBondContact CE-OD1 3.2Å; K280-N360 PolarHBondContact NZ-OD1 2.81Å; A356-N360 VanDerWaalsContact O-CA 3.27Å; A356-N360 WeakPolarHBondContact O-CA 3.43Å; A356-N360 PolarHBondContact O-N 3.2Å; E357-N360 PolarHBondContact O-N 3.08Å; E357-N360 VanDerWaalsContact O-N 3.07Å
361F89.1Confident92.2Very high5 Ų533.6 Ų33.62%0.02219%0.185CC..EExtended strand (participates in β ladder)trans-107.9149.3171.268.9-108.4000111.2L281 L283 L352 L355 A356 M359 F363 M395L281-F361 HydrophobicContact CB-CB 4.04Å; L281-F361 CarbonylContact O-C 3.56Å; L281-F361 VanDerWaalsContact O-CA 3.29Å; L281-F361 WeakPolarHBondContact O-CA 3.39Å; L281-F361 VanDerWaalsContact O-CB 3.25Å; L281-F361 WeakPolarHBondContact O-CB 3.44Å; L283-F361 HydrophobicContact CD1-CB 4.46Å; L283-F361 HydrophobicContact CD1-CD1 4.19Å; L283-F361 HydrophobicContact CD1-CD2 3.98Å; L283-F361 HydrophobicContact CD1-CE1 4.45Å; L283-F361 HydrophobicContact CD1-CE2 4.24Å; L283-F361 HydrophobicContact CD1-CG 3.98Å; L283-F361 HydrophobicContact CD1-CZ 4.48Å; L283-F361 HydrophobicContact CG-CD2 4.44Å; L352-F361 HydrophobicContact CD1-CE2 4.14Å; L352-F361 HydrophobicContact CD1-CZ 4.08Å; L355-F361 HydrophobicContact CB-CE1 4.37Å; L355-F361 HydrophobicContact CB-CZ 4.25Å; L355-F361 WeakPolarHBondContact O-CE1 3.46Å; A356-F361 HydrophobicContact CB-CD2 3.95Å; A356-F361 HydrophobicContact CB-CE2 3.62Å; A356-F361 HydrophobicContact CB-CZ 3.93Å; A356-F361 PolarHBondContact O-N 2.89Å; A356-F361 VanDerWaalsContact O-N 3.15Å; M359-F361 VanDerWaalsContact C-N 3.35Å; M359-F361 HydrophobicContact CB-CD1 3.59Å; M359-F361 HydrophobicContact CB-CE1 3.92Å; M359-F361 HydrophobicContact CG-CE1 4.43Å; M359-F361 PolarHBondContact O-N 3.11Å; M359-F361 HydrophobicContact SD-CD1 4.46Å; M359-F361 HydrophobicContact SD-CE1 4.12Å; F361-F363 HydrophobicContact CD2-CB 4.19Å; F361-F363 HydrophobicContact CD2-CD1 4.34Å; F361-F363 HydrophobicContact CE2-CB 4.08Å; F361-F363 AromaticContact CE2-CD1 3.98Å; F361-F363 HydrophobicContact CE2-CD1 3.98Å; F361-F363 HydrophobicContact CE2-CG 4.33Å; F361-M395 HydrophobicContact CZ-CE 4.24Å
362D89.9Confident92Very high73 Ų7336.1 Ų36.139%0.3920%0.196SC..EExtended strand (participates in β ladder)trans-95.8155167.3-65.7-27.1000108.9K280 L281 H282 L283K280-D362 WeakPolarHBondContact CD-OD1 3.47Å; K280-D362 WeakPolarHBondContact CD-OD2 3.32Å; K280-D362 WeakPolarHBondContact CE-OD1 3.37Å; K280-D362 IonicContact NZ-OD1 2.96Å; K280-D362 PolarHBondContact NZ-OD1 2.69Å; L281-D362 PolarHBondContact O-N 2.61Å; H282-D362 WeakPolarHBondContact CA-O 3.34Å; L283-D362 PolarHBondContact N-O 2.74Å
363F93.4Very high91.8Very high26 Ų2636.2 Ų36.211%0.11420%0.196CC..EExtended strand (participates in β ladder)trans-145.7144.9-177.270-88.6000115.8L283 V285 Q309 L352 E353 A356 F361 L365L283-F363 CarbonylContact O-C 3.55Å; L283-F363 WeakPolarHBondContact O-CA 3.22Å; L283-F363 WeakPolarHBondContact O-CB 3.39Å; V285-F363 HydrophobicContact CG2-CB 3.97Å; V285-F363 HydrophobicContact CG2-CD2 4.29Å; V285-F363 HydrophobicContact CG2-CG 4.43Å; Q309-F363 HydrophobicContact CG-CE2 3.85Å; Q309-F363 HydrophobicContact CG-CZ 4.08Å; L352-F363 HydrophobicContact CD2-CD2 3.73Å; L352-F363 HydrophobicContact CD2-CE2 3.4Å; L352-F363 VanDerWaalsContact CD2-CE2 3.4Å; L352-F363 HydrophobicContact CD2-CG 4.45Å; L352-F363 HydrophobicContact CD2-CZ 3.89Å; L352-F363 HydrophobicContact CG-CD1 4.44Å; L352-F363 HydrophobicContact CG-CD2 4.17Å; L352-F363 HydrophobicContact CG-CE1 4.1Å; L352-F363 HydrophobicContact CG-CE2 3.8Å; L352-F363 HydrophobicContact CG-CG 4.47Å; L352-F363 HydrophobicContact CG-CZ 3.77Å; E353-F363 HydrophobicContact CG-CZ 4.39Å; A356-F363 HydrophobicContact CB-CD1 3.67Å; A356-F363 HydrophobicContact CB-CE1 3.65Å; F361-F363 HydrophobicContact CD2-CB 4.19Å; F361-F363 HydrophobicContact CD2-CD1 4.34Å; F361-F363 HydrophobicContact CE2-CB 4.08Å; F361-F363 AromaticContact CE2-CD1 3.98Å; F361-F363 HydrophobicContact CE2-CD1 3.98Å; F361-F363 HydrophobicContact CE2-CG 4.33Å; F363-L365 HydrophobicContact CD2-CB 4.41Å; F363-L365 HydrophobicContact CE2-CB 4.36Å
364D92.6Very high91.6Very high17 Ų1732.8 Ų32.89%0.09118%0.18CC..EExtended strand (participates in β ladder)trans-99.2122.1171.9-91.6-35.1000109.6H282 L283 R284 V285 F326 H330H282-D364 IonicContact CD2-OD2 3.05Å; H282-D364 IonicContact CE1-OD2 2.98Å; H282-D364 VanDerWaalsContact NE2-CG 3.27Å; H282-D364 IonicContact NE2-OD1 2.81Å; H282-D364 IonicContact NE2-OD2 3.81Å; H282-D364 PolarHBondContact NE2-OD2 3.21Å; L283-D364 PolarHBondContact O-N 3.06Å; R284-D364 HydrophobicContact CB-CB 4.37Å; R284-D364 HydrophobicContact CG-CB 3.86Å; V285-D364 PolarHBondContact N-O 3.13Å; F326-D364 HydrophobicContact CD1-CB 3.96Å; F326-D364 WeakPolarHBondContact CD1-OD1 3.21Å; F326-D364 WeakPolarHBondContact CD1-OD2 3.27Å; F326-D364 HydrophobicContact CE1-CB 3.41Å; F326-D364 VanDerWaalsContact CE1-CB 3.41Å; F326-D364 WeakPolarHBondContact CE1-OD1 3.32Å; F326-D364 HydrophobicContact CZ-CB 3.95Å; H330-D364 IonicContact CE1-OD1 2.74Å; H330-D364 PolarHBondContact CE1-OD1 2.98Å; H330-D364 IonicContact CE1-OD2 3.2Å; H330-D364 PolarHBondContact CE1-OD2 2.81Å; H330-D364 VanDerWaalsContact CE1-OD2 3.3Å; H330-D364 IonicContact NE2-OD2 2.72Å
365L95Very high91.4Very high3 Ų330.2 Ų30.22%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-103.2133.4179.9-172.659.4000112V285 T287 Q309 C311 L312 C344 I349 L352 F363V285-L365 HydrophobicContact CB-CD1 4.15Å; V285-L365 HydrophobicContact CG1-CD1 4.09Å; V285-L365 WeakPolarHBondContact O-CA 3.41Å; T287-L365 HydrophobicContact CG2-CD1 3.9Å; T287-L365 HydrophobicContact CG2-CG 4.37Å; Q309-L365 HydrophobicContact CG-CD2 4.38Å; C311-L365 CarbonylContact C-O 3.54Å; C311-L365 VanDerWaalsContact CA-O 3.28Å; C311-L365 WeakPolarHBondContact CA-O 3.5Å; C311-L365 HydrophobicContact CB-CB 4Å; C311-L365 HydrophobicContact CB-CD2 3.83Å; C311-L365 HydrophobicContact CB-CG 3.69Å; L312-L365 PolarHBondContact N-O 3.5Å; C344-L365 HydrophobicContact CB-CD2 3.71Å; I349-L365 HydrophobicContact CD1-CD2 3.82Å; L352-L365 HydrophobicContact CD2-CD1 4.31Å; F363-L365 HydrophobicContact CD2-CB 4.41Å; F363-L365 HydrophobicContact CE2-CB 4.36Å
366Y95.3Very high91.2Very high3 Ų336.6 Ų36.61%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-142.2156.717073.8-78.6000114R284 V285 V286 T287 L312 L322 F326 T392 A393R284-Y366 HydrophobicContact CG-CD1 3.85Å; R284-Y366 HydrophobicContact CG-CE1 3.72Å; V285-Y366 WeakPolarHBondContact O-CD1 3.23Å; V285-Y366 PolarHBondContact O-N 3.35Å; V286-Y366 CarbonylContact C-O 3.6Å; V286-Y366 WeakPolarHBondContact CA-O 3.47Å; V286-Y366 HydrophobicContact CB-CD1 4.38Å; V286-Y366 HydrophobicContact CB-CE1 3.81Å; V286-Y366 HydrophobicContact CB-CE2 4.08Å; V286-Y366 HydrophobicContact CG2-CD2 4.07Å; V286-Y366 HydrophobicContact CG2-CE1 4.26Å; V286-Y366 HydrophobicContact CG2-CE2 3.61Å; T287-Y366 PolarHBondContact N-O 3.03Å; L312-Y366 CarbonylContact O-C 3.22Å; L312-Y366 VanDerWaalsContact O-CA 3.25Å; L312-Y366 WeakPolarHBondContact O-CA 3.3Å; L312-Y366 WeakPolarHBondContact O-CB 3.44Å; L322-Y366 HydrophobicContact CD1-CD2 3.58Å; L322-Y366 HydrophobicContact CD1-CE2 3.86Å; L322-Y366 HydrophobicContact CD1-CG 3.97Å; L322-Y366 HydrophobicContact CD2-CD2 4.37Å; L322-Y366 HydrophobicContact CD2-CE1 4.13Å; L322-Y366 HydrophobicContact CD2-CE2 3.92Å; F326-Y366 HydrophobicContact CE2-CD1 4.13Å; F326-Y366 HydrophobicContact CE2-CG 4.36Å; F326-Y366 HydrophobicContact CZ-CD1 4.13Å; F326-Y366 HydrophobicContact CZ-CG 4.38Å; Y366-T392 PolarHBondContact OH-O 3.38Å; Y366-T392 PolarHBondContact OH-OG1 2.84Å; Y366-A393 HydrophobicContact CE1-CB 4.32Å
367I95.4Very high90.9Very high7 Ų738.6 Ų38.64%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-91.3134.8178.8-51.1179.2000109.3T287 I289 T296 L312 D313 P314 K342 G369T287-I367 HydrophobicContact CG2-CG1 4.28Å; T287-I367 WeakPolarHBondContact O-CA 3.32Å; I289-I367 HydrophobicContact CD1-CD1 4.04Å; I289-I367 HydrophobicContact CD1-CG2 4.21Å; I289-I367 HydrophobicContact CG1-CD1 4.12Å; I289-I367 HydrophobicContact CG1-CG2 3.9Å; T296-I367 HydrophobicContact CG2-CD1 3.68Å; L312-I367 PolarHBondContact O-N 2.96Å; D313-I367 HydrophobicContact CB-CD1 4.23Å; P314-I367 VanDerWaalsContact CD-O 3.26Å; P314-I367 WeakPolarHBondContact CD-O 3.41Å; K342-I367 HydrophobicContact CG-CD1 4.45Å; I367-G369 PolarHBondContact O-N 3.03Å
368V94.6Very high90.8Very high4 Ų440.3 Ų40.32%0.02421%0.212CC..  trans-61.1125.9-18060.30000112.3V286 T287 L288 D370 G371 L384V286-V368 HydrophobicContact CG2-CB 3.85Å; T287-V368 PolarHBondContact O-N 3.16Å; L288-V368 HydrophobicContact CB-CG1 4.09Å; L288-V368 HydrophobicContact CD1-CG1 3.6Å; L288-V368 HydrophobicContact CG-CG1 4.4Å; V368-D370 VanDerWaalsContact C-N 3.31Å; V368-D370 PolarHBondContact O-N 3.21Å; V368-G371 PolarHBondContact O-N 3.22Å; V368-G371 VanDerWaalsContact O-N 3.09Å; V368-L384 HydrophobicContact CB-CD2 3.85Å; V368-L384 HydrophobicContact CG1-CD2 3.91Å; V368-L384 HydrophobicContact CG2-CD2 4.33Å
369G90.3Very high90.8Very high20 Ų2039.8 Ų39.821%0.20622%0.223CC..THydrogen-bonded Turntrans-66.3-20.2-166.500000116.8I367I367-G369 PolarHBondContact O-N 3.03Å
370D88.9Confident91Very high45 Ų4542 Ų4224%0.24123%0.232CC..THydrogen-bonded Turntrans-101-3.8175.467.69.9000114.2N317 V368 K372 G383N317-D370 PolarHBondContact ND2-OD2 3.32Å; N317-D370 WeakPolarHBondContact OD1-CB 3.35Å; N317-D370 PolarHBondContact OD1-N 3.32Å; V368-D370 VanDerWaalsContact C-N 3.31Å; V368-D370 PolarHBondContact O-N 3.21Å; D370-K372 HydrophobicContact CB-CD 4.49Å; D370-K372 HydrophobicContact CB-CG 4.34Å; D370-K372 WeakPolarHBondContact O-CG 3.39Å; D370-K372 WeakPolarHBondContact OD1-CB 3.38Å; D370-K372 WeakPolarHBondContact OD1-CG 3.49Å; D370-K372 PolarHBondContact OD1-N 2.9Å; D370-G383 WeakPolarHBondContact OD1-CA 3.3Å; D370-G383 PolarHBondContact OD2-N 3.17Å
371G90.8Very high91.2Very high40 Ų4040 Ų4041%0.41222%0.218SC..  trans69.228.5-178.400000115L288 V368L288-G371 VanDerWaalsContact CD1-C 3.43Å; L288-G371 WeakPolarHBondContact CD1-O 3.24Å; V368-G371 PolarHBondContact O-N 3.22Å; V368-G371 VanDerWaalsContact O-N 3.09Å
372K92.1Very high91.4Very high54 Ų5440.4 Ų40.424%0.23522%0.222CC..  trans-124.7149.7-174.8-49.8-178.7-164.4172.30114.8D370 G374 G383 L384 E567D370-K372 HydrophobicContact CB-CD 4.49Å; D370-K372 HydrophobicContact CB-CG 4.34Å; D370-K372 WeakPolarHBondContact O-CG 3.39Å; D370-K372 WeakPolarHBondContact OD1-CB 3.38Å; D370-K372 WeakPolarHBondContact OD1-CG 3.49Å; D370-K372 PolarHBondContact OD1-N 2.9Å; K372-G374 VanDerWaalsContact C-N 3.29Å; K372-G374 PolarHBondContact O-N 3.44Å; K372-G383 WeakPolarHBondContact O-CA 3.21Å; K372-L384 PolarHBondContact O-N 3.07Å; K372-L384 VanDerWaalsContact O-N 3.17Å; K372-E567 HydrophobicContact CD-CB 4.21Å; K372-E567 VanDerWaalsContact CD-CD 3.49Å; K372-E567 HydrophobicContact CD-CG 4.39Å; K372-E567 WeakPolarHBondContact CD-OE2 3.28Å; K372-E567 IonicContact NZ-OE1 3.46Å; K372-E567 PolarHBondContact NZ-OE1 2.68Å; K372-E567 IonicContact NZ-OE2 2.71Å; K372-E567 PolarHBondContact NZ-OE2 2.71Å
373Y91.8Very high91.5Very high2 Ų237.1 Ų37.11%0.00820%0.204CC..  trans-64.2-31.4167.3-59.1-82.1000113.8L288 E290 L384 S399 F400 M612L288-Y373 HydrophobicContact CD2-CD1 3.72Å; L288-Y373 HydrophobicContact CD2-CD2 4.09Å; L288-Y373 HydrophobicContact CD2-CE1 3.71Å; L288-Y373 HydrophobicContact CD2-CE2 4.06Å; L288-Y373 HydrophobicContact CD2-CG 3.94Å; E290-Y373 WeakPolarHBondContact CG-OH 3.36Å; Y373-L384 HydrophobicContact CD1-CD1 4.42Å; Y373-S399 WeakPolarHBondContact CE1-O 3.49Å; Y373-F400 HydrophobicContact CD1-CD2 4.35Å; Y373-F400 WeakPolarHBondContact O-CE2 3.47Å; Y373-M612 HydrophobicContact CE2-CE 3.91Å
374G90.2Very high91.6Very high0 Ų035.9 Ų35.90%020%0.199CC..  trans102132.818000000114.7K372 T382 R406K372-G374 VanDerWaalsContact C-N 3.29Å; K372-G374 PolarHBondContact O-N 3.44Å; G374-T382 WeakPolarHBondContact CA-O 3.39Å; G374-R406 PolarHBondContact O-NE 3.32Å; G374-R406 PolarHBondContact O-NH2 3.14Å
375A90.6Very high91.7Very high0 Ų035 Ų350%020%0.195CC..  trans-144.5160177.400000110.8K377 W381 T382 E567A375-K377 PolarHBondContact O-N 3.14Å; A375-W381 VanDerWaalsContact C-CE3 3.41Å; A375-T382 PolarHBondContact N-OG1 3.01Å; A375-T382 PolarHBondContact O-N 3.45Å; A375-T382 PolarHBondContact O-OG1 3.35Å; A375-E567 HydrophobicContact CB-CB 3.82Å; A375-E567 HydrophobicContact CB-CG 3.98Å
376W90.3Very high91.6Very high134 Ų13435.7 Ų35.751%0.50820%0.202SC..EExtended strand (participates in β ladder)trans-77.4108.3176.2-174.9-107.8000110.9G379 H380 W381W376-G379 VanDerWaalsContact CH2-C 3.42Å; W376-G379 WeakPolarHBondContact CH2-O 3.46Å; W376-H380 VanDerWaalsContact CE3-O 3.31Å; W376-W381 HydrophobicContact CB-CD2 4.45Å; W376-W381 HydrophobicContact CB-CE3 4.42Å; W376-W381 HydrophobicContact CB-CH2 4.25Å; W376-W381 HydrophobicContact CB-CZ2 4.27Å; W376-W381 HydrophobicContact CB-CZ3 4.32Å; W376-W381 AromaticContact CE3-CD1 3.48Å; W376-W381 VanDerWaalsContact CE3-CD1 3.48Å; W376-W381 HydrophobicContact CE3-CD2 4.03Å; W376-W381 AromaticContact CE3-CE2 3.77Å; W376-W381 AromaticContact CE3-CG 3.87Å; W376-W381 HydrophobicContact CE3-CG 3.87Å; W376-W381 AromaticContact CE3-NE1 3.4Å; W376-W381 AromaticContact CZ3-CD1 3.58Å; W376-W381 HydrophobicContact CZ3-CG 4.31Å; W376-W381 AromaticContact CZ3-NE1 3.69Å
377K86.6Confident91.5Very high53 Ų5336.4 Ų36.423%0.2321%0.206CC..EExtended strand (participates in β ladder)trans-137143.5179-53.8-70.7-172.1-176.90108.8A375 G379 H380 E567 E571A375-K377 PolarHBondContact O-N 3.14Å; K377-G379 PolarHBondContact O-N 2.85Å; K377-H380 PolarHBondContact N-O 3.26Å; K377-H380 PolarHBondContact O-N 3.04Å; K377-H380 PolarHBondContact O-ND1 3.15Å; K377-E567 VanDerWaalsContact CE-CG 3.43Å; K377-E567 HydrophobicContact CG-CG 4.45Å; K377-E571 IonicContact NZ-OE1 2.68Å; K377-E571 PolarHBondContact NZ-OE1 3.38Å
378N87.1Confident91.5Very high158 Ų15836.2 Ų36.285%0.84521%0.205SC*.THydrogen-bonded Turntrans49.235.9172.5-56.5-17.1000115.5H380N378-H380 VanDerWaalsContact C-N 3.35Å; N378-H380 PolarHBondContact O-N 3.36Å; N378-H380 PolarHBondContact O-ND1 3.01Å; N378-H380 VanDerWaalsContact O-ND1 3.09Å
379G87.5Confident91.4Very high57 Ų5739.5 Ų39.559%0.58822%0.222SC*.THydrogen-bonded Turntrans76.911.7177.800000115.9W376 K377W376-G379 VanDerWaalsContact CH2-C 3.42Å; W376-G379 WeakPolarHBondContact CH2-O 3.46Å; K377-G379 PolarHBondContact O-N 2.85Å
380H91.6Very high91.5Very high98 Ų9842.5 Ų42.545%0.45424%0.24SC..EExtended strand (participates in β ladder)trans-142.4171.8175.559.7-80.7000111.7W376 K377 N378W376-H380 VanDerWaalsContact CE3-O 3.31Å; K377-H380 PolarHBondContact N-O 3.26Å; K377-H380 PolarHBondContact O-N 3.04Å; K377-H380 PolarHBondContact O-ND1 3.15Å; N378-H380 VanDerWaalsContact C-N 3.35Å; N378-H380 PolarHBondContact O-N 3.36Å; N378-H380 PolarHBondContact O-ND1 3.01Å; N378-H380 VanDerWaalsContact O-ND1 3.09Å
381W92.6Very high91.5Very high40 Ų4042.7 Ų42.715%0.15225%0.253CS..EExtended strand (participates in β ladder)trans-94.4137.1169-72.498.8000110.3A375 W376 V385 L389 A405 R406 V409A375-W381 VanDerWaalsContact C-CE3 3.41Å; W376-W381 HydrophobicContact CB-CD2 4.45Å; W376-W381 HydrophobicContact CB-CE3 4.42Å; W376-W381 HydrophobicContact CB-CH2 4.25Å; W376-W381 HydrophobicContact CB-CZ2 4.27Å; W376-W381 HydrophobicContact CB-CZ3 4.32Å; W376-W381 AromaticContact CE3-CD1 3.48Å; W376-W381 VanDerWaalsContact CE3-CD1 3.48Å; W376-W381 HydrophobicContact CE3-CD2 4.03Å; W376-W381 AromaticContact CE3-CE2 3.77Å; W376-W381 AromaticContact CE3-CG 3.87Å; W376-W381 HydrophobicContact CE3-CG 3.87Å; W376-W381 AromaticContact CE3-NE1 3.4Å; W376-W381 AromaticContact CZ3-CD1 3.58Å; W376-W381 HydrophobicContact CZ3-CG 4.31Å; W376-W381 AromaticContact CZ3-NE1 3.69Å; W381-V385 HydrophobicContact CB-CB 4.18Å; W381-V385 HydrophobicContact CB-CG1 3.89Å; W381-V385 HydrophobicContact CD2-CB 4.27Å; W381-V385 HydrophobicContact CD2-CG1 3.55Å; W381-V385 HydrophobicContact CE3-CB 3.95Å; W381-V385 HydrophobicContact CE3-CG1 3.63Å; W381-V385 HydrophobicContact CE3-CG2 4.22Å; W381-V385 HydrophobicContact CG-CB 4.39Å; W381-V385 HydrophobicContact CG-CG1 3.66Å; W381-V385 HydrophobicContact CZ3-CG1 4.34Å; W381-L389 HydrophobicContact CB-CD1 4.11Å; W381-L389 HydrophobicContact CG-CD1 3.79Å; W381-A405 HydrophobicContact CH2-CB 4.4Å; W381-A405 WeakPolarHBondContact CH2-O 3.49Å; W381-A405 WeakPolarHBondContact CZ2-O 3.49Å; W381-R406 HydrophobicContact CZ3-CG 4.36Å; W381-V409 HydrophobicContact CD2-CG2 4.47Å; W381-V409 HydrophobicContact CH2-CG2 4.47Å; W381-V409 HydrophobicContact CZ2-CG1 4.17Å; W381-V409 HydrophobicContact CZ2-CG2 3.78Å
382T92.9Very high91.4Very high15 Ų1541.4 Ų41.49%0.09224%0.237CC..  trans-93.7175.4172.2540000111.4G374 A375 G386 E567G374-T382 WeakPolarHBondContact CA-O 3.39Å; A375-T382 PolarHBondContact N-OG1 3.01Å; A375-T382 PolarHBondContact O-N 3.45Å; A375-T382 PolarHBondContact O-OG1 3.35Å; T382-G386 PolarHBondContact O-N 3.28Å; T382-G386 VanDerWaalsContact O-N 3.13Å; T382-E567 WeakPolarHBondContact CB-OE2 3.48Å; T382-E567 WeakPolarHBondContact CG2-OE2 3.34Å; T382-E567 PolarHBondContact OG1-OE2 3.41Å
383G92.7Very high91.5Very high3 Ų338.9 Ų38.93%0.03123%0.226CC..Hα-helixtrans54.8-150.8169.200000116.1D370 K372 V385 G386 D387D370-G383 WeakPolarHBondContact OD1-CA 3.3Å; D370-G383 PolarHBondContact OD2-N 3.17Å; K372-G383 WeakPolarHBondContact O-CA 3.21Å; G383-V385 PolarHBondContact O-N 3.42Å; G383-V385 VanDerWaalsContact O-N 3.13Å; G383-G386 WeakPolarHBondContact O-CA 3.44Å; G383-G386 PolarHBondContact O-N 3.19Å; G383-D387 PolarHBondContact O-N 3.13Å
384L94.5Very high91.6Very high0 Ų041.9 Ų41.90%024%0.242CC..Hα-helixtrans-51.6-37.7-177.8-54169.9000113.3V286 L288 V368 K372 Y373 D387 L388 A396 T398 F400V286-L384 HydrophobicContact CB-CD2 4.42Å; V286-L384 HydrophobicContact CG1-CD2 3.88Å; V286-L384 HydrophobicContact CG2-CD2 3.81Å; L288-L384 HydrophobicContact CB-CD1 4.44Å; L288-L384 HydrophobicContact CB-CD2 4.49Å; V368-L384 HydrophobicContact CB-CD2 3.85Å; V368-L384 HydrophobicContact CG1-CD2 3.91Å; V368-L384 HydrophobicContact CG2-CD2 4.33Å; K372-L384 PolarHBondContact O-N 3.07Å; K372-L384 VanDerWaalsContact O-N 3.17Å; Y373-L384 HydrophobicContact CD1-CD1 4.42Å; L384-D387 PolarHBondContact O-N 2.92Å; L384-L388 WeakPolarHBondContact O-CG 3.35Å; L384-L388 PolarHBondContact O-N 3.5Å; L384-A396 HydrophobicContact CB-CB 4.45Å; L384-T398 HydrophobicContact CD1-CG2 3.58Å; L384-F400 HydrophobicContact CB-CE2 4.4Å; L384-F400 HydrophobicContact CB-CZ 4.16Å; L384-F400 HydrophobicContact CD1-CD2 3.99Å; L384-F400 HydrophobicContact CD1-CE2 4.16Å; L384-F400 HydrophobicContact CD1-CG 4.22Å
385V95.1Very high91.9Very high0 Ų041.9 Ų41.90%024%0.242CC..Hα-helixtrans-67.1-38.9176.9-173.90000111.2W381 G383 L389 F400 R406 V409 I410W381-V385 HydrophobicContact CB-CB 4.18Å; W381-V385 HydrophobicContact CB-CG1 3.89Å; W381-V385 HydrophobicContact CD2-CB 4.27Å; W381-V385 HydrophobicContact CD2-CG1 3.55Å; W381-V385 HydrophobicContact CE3-CB 3.95Å; W381-V385 HydrophobicContact CE3-CG1 3.63Å; W381-V385 HydrophobicContact CE3-CG2 4.22Å; W381-V385 HydrophobicContact CG-CB 4.39Å; W381-V385 HydrophobicContact CG-CG1 3.66Å; W381-V385 HydrophobicContact CZ3-CG1 4.34Å; G383-V385 PolarHBondContact O-N 3.42Å; G383-V385 VanDerWaalsContact O-N 3.13Å; V385-L389 HydrophobicContact CG1-CD1 3.84Å; V385-L389 HydrophobicContact CG1-CG 4.38Å; V385-L389 VanDerWaalsContact O-CB 3.31Å; V385-L389 WeakPolarHBondContact O-CB 3.41Å; V385-L389 VanDerWaalsContact O-CG 3.25Å; V385-L389 WeakPolarHBondContact O-CG 3.43Å; V385-L389 PolarHBondContact O-N 3.04Å; V385-F400 HydrophobicContact CG2-CE2 4.28Å; V385-F400 HydrophobicContact CG2-CZ 3.79Å; V385-R406 HydrophobicContact CG2-CG 4.08Å; V385-V409 HydrophobicContact CG1-CG2 3.83Å; V385-I410 HydrophobicContact CG1-CG2 4.36Å; V385-I410 HydrophobicContact CG2-CD1 4.24Å
386G93.4Very high92.2Very high16 Ų1641.9 Ų41.917%0.16524%0.242CC..Hα-helixtrans-64.9-40.8174.800000112.8T382 G383 L389 S390T382-G386 PolarHBondContact O-N 3.28Å; T382-G386 VanDerWaalsContact O-N 3.13Å; G383-G386 WeakPolarHBondContact O-CA 3.44Å; G383-G386 PolarHBondContact O-N 3.19Å; G386-L389 PolarHBondContact O-N 3.02Å; G386-S390 VanDerWaalsContact O-CB 3.3Å; G386-S390 WeakPolarHBondContact O-CB 3.49Å; G386-S390 PolarHBondContact O-N 3.36Å; G386-S390 PolarHBondContact O-OG 2.99Å
387D93.3Very high92.6Very high19 Ų1935.5 Ų35.510%0.10222%0.218CC..Hα-helixtrans-68.1-41.9178-80.7-32.8000112.7V286 G383 L384 S390 G391 T392 A393V286-D387 HydrophobicContact CG1-CB 4.48Å; G383-D387 PolarHBondContact O-N 3.13Å; L384-D387 PolarHBondContact O-N 2.92Å; D387-S390 PolarHBondContact O-OG 2.78Å; D387-G391 PolarHBondContact O-N 3.35Å; D387-T392 WeakPolarHBondContact CA-OG1 3.48Å; D387-T392 WeakPolarHBondContact CB-OG1 3.45Å; D387-T392 VanDerWaalsContact CG-OG1 3.27Å; D387-T392 PolarHBondContact O-N 3.18Å; D387-T392 VanDerWaalsContact O-N 3.1Å; D387-T392 PolarHBondContact O-OG1 3.49Å; D387-T392 PolarHBondContact OD1-OG1 3.46Å; D387-A393 HydrophobicContact CB-CB 4.33Å; D387-A393 PolarHBondContact O-N 2.93Å
388L94.5Very high93Very high3 Ų333 Ų332%0.01621%0.207CC..Hα-helixtrans-63.9-39.9173.2-72.2173.5000112.8L384 A393 A396 F400 I410 P646L384-L388 WeakPolarHBondContact O-CG 3.35Å; L384-L388 PolarHBondContact O-N 3.5Å; L388-A393 HydrophobicContact CD2-CB 4.25Å; L388-A396 HydrophobicContact CD1-CB 3.79Å; L388-A396 HydrophobicContact CD2-CB 4.21Å; L388-A396 HydrophobicContact CG-CB 4.12Å; L388-F400 HydrophobicContact CD1-CE1 4.34Å; L388-I410 HydrophobicContact CB-CG2 3.88Å; L388-I410 HydrophobicContact CD1-CB 4.39Å; L388-I410 HydrophobicContact CD1-CD1 3.85Å; L388-I410 HydrophobicContact CD1-CG2 4.04Å; L388-P646 HydrophobicContact CD2-CG 4.25Å
389L93.7Very high93.3Very high73 Ų7325.5 Ų25.538%0.38217%0.167SC..Hα-helixtrans-77.7-28.9-178.5-75.8175.8000114.1W381 V385 G386 G391 V409 I410 P647W381-L389 HydrophobicContact CB-CD1 4.11Å; W381-L389 HydrophobicContact CG-CD1 3.79Å; V385-L389 HydrophobicContact CG1-CD1 3.84Å; V385-L389 HydrophobicContact CG1-CG 4.38Å; V385-L389 VanDerWaalsContact O-CB 3.31Å; V385-L389 WeakPolarHBondContact O-CB 3.41Å; V385-L389 VanDerWaalsContact O-CG 3.25Å; V385-L389 WeakPolarHBondContact O-CG 3.43Å; V385-L389 PolarHBondContact O-N 3.04Å; G386-L389 PolarHBondContact O-N 3.02Å; L389-G391 VanDerWaalsContact C-N 3.3Å; L389-V409 HydrophobicContact CD1-CB 4.21Å; L389-V409 HydrophobicContact CD1-CG2 4.19Å; L389-V409 HydrophobicContact CD2-CB 4.36Å; L389-V409 VanDerWaalsContact CD2-O 3.32Å; L389-V409 WeakPolarHBondContact CD2-O 3.43Å; L389-I410 HydrophobicContact CD2-CG2 4.24Å; L389-I410 HydrophobicContact CG-CG2 4.17Å; L389-P647 HydrophobicContact CD2-CG 4.39Å
390S90.4Very high93.7Very high82 Ų8222.8 Ų22.857%0.57314%0.139SC*.Hα-helixtrans-82.2-10.5174.558.80000113G386 D387 T392G386-S390 VanDerWaalsContact O-CB 3.3Å; G386-S390 WeakPolarHBondContact O-CB 3.49Å; G386-S390 PolarHBondContact O-N 3.36Å; G386-S390 PolarHBondContact O-OG 2.99Å; D387-S390 PolarHBondContact O-OG 2.78Å; S390-T392 VanDerWaalsContact C-N 3.3Å; S390-T392 PolarHBondContact OG-OG1 3.03Å
391G89.8Confident93.8Very high50 Ų5018.1 Ų18.152%0.51512%0.117SC..THydrogen-bonded Turntrans76.613.4-177.700000113.9D387 L389 A393D387-G391 PolarHBondContact O-N 3.35Å; L389-G391 VanDerWaalsContact C-N 3.3Å; G391-A393 VanDerWaalsContact C-N 3.27Å
392T89.8Confident93.9Very high13 Ų1318.4 Ų18.48%0.0812%0.121CC..SBendtrans-69.2-28.317255.80000111.8R284 S319 Y366 D387 S390R284-T392 WeakPolarHBondContact CD-O 3.21Å; R284-T392 PolarHBondContact NH1-O 3.18Å; R284-T392 VanDerWaalsContact NH1-O 3.14Å; S319-T392 VanDerWaalsContact CB-CG2 3.43Å; Y366-T392 PolarHBondContact OH-O 3.38Å; Y366-T392 PolarHBondContact OH-OG1 2.84Å; D387-T392 WeakPolarHBondContact CA-OG1 3.48Å; D387-T392 WeakPolarHBondContact CB-OG1 3.45Å; D387-T392 VanDerWaalsContact CG-OG1 3.27Å; D387-T392 PolarHBondContact O-N 3.18Å; D387-T392 VanDerWaalsContact O-N 3.1Å; D387-T392 PolarHBondContact O-OG1 3.49Å; D387-T392 PolarHBondContact OD1-OG1 3.46Å; S390-T392 VanDerWaalsContact C-N 3.3Å; S390-T392 PolarHBondContact OG-OG1 3.03Å
393A93.6Very high93.7Very high0 Ų018.5 Ų18.50%012%0.121CC..  trans-118.2145.7172.400000112.1V286 Y366 D387 L388 G391V286-A393 HydrophobicContact CB-CB 3.86Å; V286-A393 HydrophobicContact CG1-CB 3.6Å; Y366-A393 HydrophobicContact CE1-CB 4.32Å; D387-A393 HydrophobicContact CB-CB 4.33Å; D387-A393 PolarHBondContact O-N 2.93Å; L388-A393 HydrophobicContact CD2-CB 4.25Å; G391-A393 VanDerWaalsContact C-N 3.27Å
394N94.4Very high93.5Very high66 Ų6623 Ų2335%0.35315%0.149SC..SBendtrans-95.1-16171.3-49.9115.7000112.6L283 R284 P646L283-N394 HydrophobicContact CB-CB 4.49Å; L283-N394 HydrophobicContact CD2-CB 4.02Å; R284-N394 PolarHBondContact N-OD1 3.05Å; R284-N394 PolarHBondContact O-N 3.25Å; N394-P646 WeakPolarHBondContact O-CD 3.47Å
395M95.9Very high93.3Very high0 Ų025 Ų250%017%0.165CC..EExtended strand (participates in β ladder)trans-156.7147.9-179.9-167.9-172.9-59.400109.9L283 R284 V285 V286 L352 F361 V397 I643 G644 L645 I655L283-M395 HydrophobicContact CD1-CE 3.86Å; R284-M395 PolarHBondContact O-N 3.29Å; V285-M395 WeakPolarHBondContact CA-O 3.2Å; V285-M395 HydrophobicContact CG1-CB 4.47Å; V285-M395 HydrophobicContact CG2-CB 4.29Å; V286-M395 PolarHBondContact N-O 3.06Å; L352-M395 HydrophobicContact CD1-SD 4.31Å; F361-M395 HydrophobicContact CZ-CE 4.24Å; M395-V397 HydrophobicContact CG-CG2 3.77Å; M395-V397 HydrophobicContact SD-CG2 3.51Å; M395-V397 VanDerWaalsContact SD-CG2 3.51Å; M395-I643 HydrophobicContact CG-CG2 3.37Å; M395-I643 HydrophobicContact SD-CG2 3.7Å; M395-G644 CarbonylContact C-O 3.6Å; M395-G644 WeakPolarHBondContact CA-O 3.46Å; M395-L645 HydrophobicContact CB-CD2 4.08Å; M395-L645 HydrophobicContact CE-CD2 4.39Å; M395-L645 HydrophobicContact CG-CD2 3.81Å; M395-I655 HydrophobicContact CE-CD1 3.67Å
396A97.2Very high93.1Very high0 Ų025.2 Ų25.20%017%0.165CC..EExtended strand (participates in β ladder)trans-121.7120.7172.800000110.7V286 L384 L388 F400 G644V286-A396 HydrophobicContact CG1-CB 3.63Å; V286-A396 WeakPolarHBondContact O-CA 3.36Å; L384-A396 HydrophobicContact CB-CB 4.45Å; L388-A396 HydrophobicContact CD1-CB 3.79Å; L388-A396 HydrophobicContact CD2-CB 4.21Å; L388-A396 HydrophobicContact CG-CB 4.12Å; A396-F400 HydrophobicContact CB-CD1 4.4Å; A396-F400 HydrophobicContact CB-CE1 4.39Å; A396-G644 PolarHBondContact N-O 3.08Å; A396-G644 PolarHBondContact O-N 2.86Å
397V97.1Very high93.1Very high0 Ų027.5 Ų27.50%018%0.179CC..  trans-129.9103.4-172.4-1750000110.6V285 V286 T287 C348 L352 M395 I643V285-V397 HydrophobicContact CG1-CB 3.97Å; V285-V397 HydrophobicContact CG1-CG2 3.7Å; V286-V397 PolarHBondContact O-N 3.36Å; T287-V397 WeakPolarHBondContact CB-O 3.34Å; T287-V397 PolarHBondContact OG1-O 3.27Å; C348-V397 HydrophobicContact CB-CG1 4.06Å; C348-V397 WeakPolarHBondContact O-CG1 3.46Å; L352-V397 HydrophobicContact CB-CG1 4.37Å; L352-V397 HydrophobicContact CD1-CG2 4.4Å; M395-V397 HydrophobicContact CG-CG2 3.77Å; M395-V397 HydrophobicContact SD-CG2 3.51Å; M395-V397 VanDerWaalsContact SD-CG2 3.51Å; V397-I643 HydrophobicContact CG2-CD1 4.2Å; V397-I643 HydrophobicContact CG2-CG1 4.18Å; V397-I643 HydrophobicContact CG2-CG2 3.98Å
398T95.4Very high93.1Very high0 Ų033.8 Ų33.80%021%0.208CC..SBendtrans-168.1-165.9177.2-174.50000108.5L288 C348 L384 F400L288-T398 HydrophobicContact CB-CG2 3.99Å; L288-T398 PolarHBondContact O-OG1 3.48Å; C348-T398 VanDerWaalsContact SG-C 3.54Å; L384-T398 HydrophobicContact CD1-CG2 3.58Å; T398-F400 HydrophobicContact CG2-CB 4.12Å; T398-F400 PolarHBondContact O-N 3.37Å
399S94.3Very high93.1Very high0 Ų035.6 Ų35.60%022%0.219CC..SBendtrans-68.654.7172.856.70000113.2Y373 S401 Y641Y373-S399 WeakPolarHBondContact CE1-O 3.49Å; S399-S401 PolarHBondContact O-N 3.05Å; S399-Y641 VanDerWaalsContact C-CD1 3.47Å; S399-Y641 WeakPolarHBondContact O-CD1 3.45Å; S399-Y641 WeakPolarHBondContact O-CE1 3.31Å
400F94.8Very high93.2Very high0 Ų032.3 Ų32.30%020%0.201CC..  trans-91.798.6-166.3-166.6-154.3000112.3Y373 L384 V385 L388 A396 T398 I402 I410 F412 Y641 G642Y373-F400 HydrophobicContact CD1-CD2 4.35Å; Y373-F400 WeakPolarHBondContact O-CE2 3.47Å; L384-F400 HydrophobicContact CB-CE2 4.4Å; L384-F400 HydrophobicContact CB-CZ 4.16Å; L384-F400 HydrophobicContact CD1-CD2 3.99Å; L384-F400 HydrophobicContact CD1-CE2 4.16Å; L384-F400 HydrophobicContact CD1-CG 4.22Å; V385-F400 HydrophobicContact CG2-CE2 4.28Å; V385-F400 HydrophobicContact CG2-CZ 3.79Å; L388-F400 HydrophobicContact CD1-CE1 4.34Å; A396-F400 HydrophobicContact CB-CD1 4.4Å; A396-F400 HydrophobicContact CB-CE1 4.39Å; T398-F400 HydrophobicContact CG2-CB 4.12Å; T398-F400 PolarHBondContact O-N 3.37Å; F400-I402 PolarHBondContact O-N 3.37Å; F400-I410 HydrophobicContact CE1-CD1 3.55Å; F400-I410 HydrophobicContact CZ-CD1 3.63Å; F400-F412 AromaticContact CD1-CE1 3.51Å; F400-F412 HydrophobicContact CD1-CE1 3.51Å; F400-F412 HydrophobicContact CD1-CZ 4.03Å; F400-F412 AromaticContact CE1-CE1 3.68Å; F400-F412 HydrophobicContact CE1-CE1 3.68Å; F400-F412 AromaticContact CE1-CZ 3.76Å; F400-F412 HydrophobicContact CE1-CZ 3.76Å; F400-F412 HydrophobicContact CE2-CZ 4.48Å; F400-F412 HydrophobicContact CG-CE1 4.04Å; F400-F412 HydrophobicContact CZ-CE1 4.33Å; F400-F412 HydrophobicContact CZ-CZ 4.01Å; F400-Y641 WeakPolarHBondContact O-CA 3.33Å; F400-G642 PolarHBondContact O-N 3.29Å; F400-G642 VanDerWaalsContact O-N 3.15Å
401S94.3Very high93.4Very high0 Ų030.4 Ų30.40%019%0.185CC..BIsolated β-bridgetrans-68.6123.9-174.7-14.90000112.8S399 N403 R406 S569 D613 E639 G640S399-S401 PolarHBondContact O-N 3.05Å; S401-N403 PolarHBondContact O-N 2.94Å; S401-R406 PolarHBondContact O-NH1 2.66Å; S401-S569 PolarHBondContact OG-OG 3.08Å; S401-D613 PolarHBondContact OG-OD2 3.22Å; S401-E639 WeakPolarHBondContact CB-OE2 3.11Å; S401-G640 WeakPolarHBondContact CA-O 3.41Å
402I93.9Very high93.8Very high47 Ų4729.3 Ų29.324%0.24117%0.166CC..  trans-72.9105.3-179.9-56.8171.3000109.5F400 F412 P415 G640F400-I402 PolarHBondContact O-N 3.37Å; I402-F412 HydrophobicContact CD1-CB 4.27Å; I402-F412 HydrophobicContact CD1-CD1 4.46Å; I402-F412 HydrophobicContact CG1-CB 4.19Å; I402-F412 HydrophobicContact CG1-CD1 3.65Å; I402-F412 HydrophobicContact CG1-CE1 4.04Å; I402-F412 HydrophobicContact CG1-CG 3.9Å; I402-F412 HydrophobicContact CG2-CB 4.46Å; I402-F412 HydrophobicContact CG2-CD2 4.16Å; I402-F412 HydrophobicContact CG2-CG 4.22Å; I402-P415 HydrophobicContact CD1-CB 3.84Å; I402-P415 HydrophobicContact CD1-CG 4.47Å; I402-G640 WeakPolarHBondContact CG1-O 3.5Å; I402-G640 PolarHBondContact N-O 3.34Å
403N89.8Confident94.1Very high17 Ų1729 Ų299%0.09116%0.164CC..  trans-118.4139.7179.3177.6-32.9000110S401 A405 R406 S407S401-N403 PolarHBondContact O-N 2.94Å; N403-A405 PolarHBondContact O-N 3.37Å; N403-A405 PolarHBondContact OD1-N 2.95Å; N403-R406 WeakPolarHBondContact O-CA 3.38Å; N403-R406 PolarHBondContact O-N 3.21Å; N403-S407 PolarHBondContact O-N 3.46Å
404T88.6Confident94.2Very high98 Ų9830.2 Ų30.260%0.60117%0.173SC*.THydrogen-bonded Turntrans-45-36.1175.3-500000114.3S407 Q408T404-S407 WeakPolarHBondContact CA-OG 3.38Å; T404-S407 PolarHBondContact O-OG 2.95Å; T404-Q408 VanDerWaalsContact O-CG 3.3Å; T404-Q408 WeakPolarHBondContact O-CG 3.23Å
405A89.5Confident94.3Very high41 Ų4129.7 Ų29.734%0.33917%0.173SC..THydrogen-bonded Turntrans-71.6-30.2178.600000113W381 N403W381-A405 HydrophobicContact CH2-CB 4.4Å; W381-A405 WeakPolarHBondContact CH2-O 3.49Å; W381-A405 WeakPolarHBondContact CZ2-O 3.49Å; N403-A405 PolarHBondContact O-N 3.37Å; N403-A405 PolarHBondContact OD1-N 2.95Å
406R92.6Very high94.2Very high4 Ų429.9 Ų29.92%0.01517%0.174CC..THydrogen-bonded Turntrans-85.8-41.3177.6-63.4-179177.1143.40111.1G374 W381 V385 S401 N403 Q408 V409 I410 F412 E567G374-R406 PolarHBondContact O-NE 3.32Å; G374-R406 PolarHBondContact O-NH2 3.14Å; W381-R406 HydrophobicContact CZ3-CG 4.36Å; V385-R406 HydrophobicContact CG2-CG 4.08Å; S401-R406 PolarHBondContact O-NH1 2.66Å; N403-R406 WeakPolarHBondContact O-CA 3.38Å; N403-R406 PolarHBondContact O-N 3.21Å; R406-Q408 PolarHBondContact O-N 2.91Å; R406-V409 VanDerWaalsContact O-CG2 3.28Å; R406-V409 WeakPolarHBondContact O-CG2 3.47Å; R406-V409 PolarHBondContact O-N 2.82Å; R406-I410 HydrophobicContact CB-CD1 4.45Å; R406-I410 HydrophobicContact CB-CG1 4.4Å; R406-I410 VanDerWaalsContact O-CG1 3.26Å; R406-I410 WeakPolarHBondContact O-CG1 3.32Å; R406-I410 PolarHBondContact O-N 2.98Å; R406-F412 HydrophobicContact CB-CE2 3.75Å; R406-F412 HydrophobicContact CB-CZ 4.03Å; R406-E567 PolarHBondContact NH2-O 3.02Å
407S92.4Very high94.1Very high64 Ų6431.1 Ų31.145%0.44818%0.179SC..THydrogen-bonded Turntrans-70.35.6178.474.80000114.7N403 T404N403-S407 PolarHBondContact O-N 3.46Å; T404-S407 WeakPolarHBondContact CA-OG 3.38Å; T404-S407 PolarHBondContact O-OG 2.95Å
408Q93Very high93.9Very high152 Ų15235.5 Ų35.571%0.7121%0.21SC*.THydrogen-bonded Turntrans-95.9-11168.7-77.9174.612.200112.9T404 R406T404-Q408 VanDerWaalsContact O-CG 3.3Å; T404-Q408 WeakPolarHBondContact O-CG 3.23Å; R406-Q408 PolarHBondContact O-N 2.91Å
409V94.3Very high93.8Very high40 Ų4035.8 Ų35.824%0.24221%0.212CC..THydrogen-bonded Turntrans-129.9-24.2-174.5-61.10000113.9W381 V385 L389 R406 P647W381-V409 HydrophobicContact CD2-CG2 4.47Å; W381-V409 HydrophobicContact CH2-CG2 4.47Å; W381-V409 HydrophobicContact CZ2-CG1 4.17Å; W381-V409 HydrophobicContact CZ2-CG2 3.78Å; V385-V409 HydrophobicContact CG1-CG2 3.83Å; L389-V409 HydrophobicContact CD1-CB 4.21Å; L389-V409 HydrophobicContact CD1-CG2 4.19Å; L389-V409 HydrophobicContact CD2-CB 4.36Å; L389-V409 VanDerWaalsContact CD2-O 3.32Å; L389-V409 WeakPolarHBondContact CD2-O 3.43Å; R406-V409 VanDerWaalsContact O-CG2 3.28Å; R406-V409 WeakPolarHBondContact O-CG2 3.47Å; R406-V409 PolarHBondContact O-N 2.82Å; V409-P647 WeakPolarHBondContact O-CB 3.39Å; V409-P647 WeakPolarHBondContact O-CG 3.46Å
410I95.7Very high93.8Very high4 Ų436.6 Ų36.62%0.02122%0.217CC..SBendtrans-129.1152.517451.8162.2000110.4V385 L388 L389 F400 R406 F412 L645V385-I410 HydrophobicContact CG1-CG2 4.36Å; V385-I410 HydrophobicContact CG2-CD1 4.24Å; L388-I410 HydrophobicContact CB-CG2 3.88Å; L388-I410 HydrophobicContact CD1-CB 4.39Å; L388-I410 HydrophobicContact CD1-CD1 3.85Å; L388-I410 HydrophobicContact CD1-CG2 4.04Å; L389-I410 HydrophobicContact CD2-CG2 4.24Å; L389-I410 HydrophobicContact CG-CG2 4.17Å; F400-I410 HydrophobicContact CE1-CD1 3.55Å; F400-I410 HydrophobicContact CZ-CD1 3.63Å; R406-I410 HydrophobicContact CB-CD1 4.45Å; R406-I410 HydrophobicContact CB-CG1 4.4Å; R406-I410 VanDerWaalsContact O-CG1 3.26Å; R406-I410 WeakPolarHBondContact O-CG1 3.32Å; R406-I410 PolarHBondContact O-N 2.98Å; I410-F412 HydrophobicContact CD1-CE1 4.43Å; I410-F412 HydrophobicContact CD1-CE2 3.73Å; I410-F412 HydrophobicContact CD1-CZ 3.7Å; I410-F412 HydrophobicContact CG1-CD2 4.46Å; I410-F412 HydrophobicContact CG1-CE2 3.9Å; I410-F412 HydrophobicContact CG1-CZ 4.38Å; I410-L645 WeakPolarHBondContact CB-O 3.25Å
411D96.3Very high93.8Very high42 Ų4236.6 Ų36.623%0.22522%0.217CC..EExtended strand (participates in β ladder)trans-77.9148.4172.5-74.37.1000109.5L645 P647 N648 S649 T652D411-L645 HydrophobicContact CB-CB 4.06Å; D411-L645 PolarHBondContact N-O 2.91Å; D411-L645 PolarHBondContact O-N 2.9Å; D411-P647 WeakPolarHBondContact OD1-CA 3.37Å; D411-N648 VanDerWaalsContact CG-N 3.27Å; D411-N648 PolarHBondContact OD1-N 2.95Å; D411-N648 WeakPolarHBondContact OD2-CA 3.49Å; D411-N648 PolarHBondContact OD2-N 3.14Å; D411-S649 PolarHBondContact OD2-N 3.04Å; D411-T652 HydrophobicContact CB-CG2 4.11Å; D411-T652 PolarHBondContact OD2-OG1 3.3Å; D411-T652 VanDerWaalsContact OD2-OG1 3.12Å
412F96.9Very high93.7Very high27 Ų2736.8 Ų36.812%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-125.9144.5169.9-79.2-84.3000110.1F400 I402 R406 I410 I643F400-F412 AromaticContact CD1-CE1 3.51Å; F400-F412 HydrophobicContact CD1-CE1 3.51Å; F400-F412 HydrophobicContact CD1-CZ 4.03Å; F400-F412 AromaticContact CE1-CE1 3.68Å; F400-F412 HydrophobicContact CE1-CE1 3.68Å; F400-F412 AromaticContact CE1-CZ 3.76Å; F400-F412 HydrophobicContact CE1-CZ 3.76Å; F400-F412 HydrophobicContact CE2-CZ 4.48Å; F400-F412 HydrophobicContact CG-CE1 4.04Å; F400-F412 HydrophobicContact CZ-CE1 4.33Å; F400-F412 HydrophobicContact CZ-CZ 4.01Å; I402-F412 HydrophobicContact CD1-CB 4.27Å; I402-F412 HydrophobicContact CD1-CD1 4.46Å; I402-F412 HydrophobicContact CG1-CB 4.19Å; I402-F412 HydrophobicContact CG1-CD1 3.65Å; I402-F412 HydrophobicContact CG1-CE1 4.04Å; I402-F412 HydrophobicContact CG1-CG 3.9Å; I402-F412 HydrophobicContact CG2-CB 4.46Å; I402-F412 HydrophobicContact CG2-CD2 4.16Å; I402-F412 HydrophobicContact CG2-CG 4.22Å; R406-F412 HydrophobicContact CB-CE2 3.75Å; R406-F412 HydrophobicContact CB-CZ 4.03Å; I410-F412 HydrophobicContact CD1-CE1 4.43Å; I410-F412 HydrophobicContact CD1-CE2 3.73Å; I410-F412 HydrophobicContact CD1-CZ 3.7Å; I410-F412 HydrophobicContact CG1-CD2 4.46Å; I410-F412 HydrophobicContact CG1-CE2 3.9Å; I410-F412 HydrophobicContact CG1-CZ 4.38Å; F412-I643 WeakPolarHBondContact CA-O 3.38Å
413T96.7Very high93.7Very high6 Ų634.6 Ų34.64%0.03721%0.208CC..PPolyproline II helixtrans-70.2173.5169.665.20000111.8I643 L645 I655 S656 I659T413-I643 HydrophobicContact CG2-CB 3.78Å; T413-I643 HydrophobicContact CG2-CG2 4.27Å; T413-I643 PolarHBondContact N-O 3.1Å; T413-I643 PolarHBondContact OG1-N 3.37Å; T413-L645 HydrophobicContact CG2-CD1 4Å; T413-I655 HydrophobicContact CG2-CB 3.97Å; T413-I655 HydrophobicContact CG2-CG2 3.67Å; T413-S656 VanDerWaalsContact CA-OG 3.22Å; T413-S656 WeakPolarHBondContact CA-OG 3.31Å; T413-S656 WeakPolarHBondContact CB-OG 3.42Å; T413-I659 HydrophobicContact CG2-CD1 4.34Å; T413-I659 WeakPolarHBondContact OG1-CD1 3.34Å
414S95.3Very high93.9Very high27 Ų2733.8 Ų33.819%0.18920%0.204CC..SBendtrans-49.9137.6157.564.20000109.6F416 S656 I659S414-F416 PolarHBondContact O-N 3.4Å; S414-S656 PolarHBondContact N-OG 3.38Å; S414-S656 WeakPolarHBondContact OG-CA 3.18Å; S414-S656 PolarHBondContact OG-O 2.87Å; S414-I659 WeakPolarHBondContact OG-CG2 3.45Å
415P96.2Very high94Very high54 Ų5429.4 Ų29.435%0.35118%0.177SC..PPolyproline II helixtrans-69.5122.4-174.524.2-32.2000109.6I402 Y641 K663I402-P415 HydrophobicContact CD1-CB 3.84Å; I402-P415 HydrophobicContact CD1-CG 4.47Å; P415-Y641 CarbonylContact C-O 3.58Å; P415-Y641 WeakPolarHBondContact CA-O 3.29Å; P415-K663 VanDerWaalsContact O-CE 3.25Å; P415-K663 WeakPolarHBondContact O-CE 3.35Å; P415-K663 PolarHBondContact O-NZ 3Å
416F95.3Very high93.9Very high5 Ų529.3 Ų29.32%0.02217%0.168CC..SBendtrans-72.8-44.1178.262-93.7000110.9F293 Y347 L351 S414 Y641 I643 I659 K663 M668F293-F416 HydrophobicContact CE1-CE2 4.46Å; Y347-F416 HydrophobicContact CD1-CD2 4.48Å; Y347-F416 HydrophobicContact CD1-CE2 4.19Å; Y347-F416 AromaticContact CE1-CD2 3.76Å; Y347-F416 HydrophobicContact CE1-CD2 3.76Å; Y347-F416 AromaticContact CE1-CE2 3.91Å; Y347-F416 HydrophobicContact CE1-CE2 3.91Å; L351-F416 HydrophobicContact CD2-CB 3.97Å; L351-F416 HydrophobicContact CD2-CD1 4.2Å; L351-F416 HydrophobicContact CD2-CD2 3.87Å; L351-F416 HydrophobicContact CD2-CE2 4.41Å; L351-F416 HydrophobicContact CD2-CG 3.76Å; S414-F416 PolarHBondContact O-N 3.4Å; F416-Y641 VanDerWaalsContact CD1-O 3.23Å; F416-Y641 WeakPolarHBondContact CD1-O 3.44Å; F416-Y641 PolarHBondContact N-O 3.2Å; F416-I643 HydrophobicContact CD1-CG1 4.3Å; F416-I643 HydrophobicContact CE1-CG1 4.32Å; F416-I659 HydrophobicContact CB-CD1 4.41Å; F416-I659 HydrophobicContact CB-CG2 3.88Å; F416-K663 WeakPolarHBondContact O-CE 3.26Å; F416-K663 PolarHBondContact O-NZ 2.93Å; F416-M668 HydrophobicContact CB-CE 3.87Å; F416-M668 HydrophobicContact CB-SD 4.07Å
417F94.9Very high93.2Very high25 Ų2530.7 Ų30.711%0.1118%0.177CC..EExtended strand (participates in β ladder)trans-110.5150.4179.7-158.1-87.1000111.7F293 Y347 A615 G640 Y641 H672 Y676F293-F417 AromaticContact CE1-CD2 3.93Å; F293-F417 HydrophobicContact CE1-CD2 3.93Å; F293-F417 HydrophobicContact CE1-CE2 4.22Å; F293-F417 HydrophobicContact CE1-CG 4.15Å; F293-F417 HydrophobicContact CZ-CD1 4.24Å; F293-F417 HydrophobicContact CZ-CD2 4.11Å; F293-F417 HydrophobicContact CZ-CE1 4.23Å; F293-F417 HydrophobicContact CZ-CE2 4.07Å; F293-F417 HydrophobicContact CZ-CG 4.2Å; F293-F417 HydrophobicContact CZ-CZ 4.14Å; Y347-F417 HydrophobicContact CE1-CD2 4.35Å; Y347-F417 HydrophobicContact CE2-CD2 4.3Å; Y347-F417 HydrophobicContact CE2-CE2 4.37Å; Y347-F417 AromaticContact CZ-CD2 3.96Å; F417-A615 HydrophobicContact CD1-CB 4.28Å; F417-A615 HydrophobicContact CE1-CB 3.54Å; F417-A615 HydrophobicContact CZ-CB 4.23Å; F417-G640 WeakPolarHBondContact O-CA 3.25Å; F417-Y641 HydrophobicContact CB-CD2 3.71Å; F417-Y641 HydrophobicContact CB-CG 4.27Å; F417-Y641 AromaticContact CD1-CD2 3.88Å; F417-Y641 HydrophobicContact CD1-CD2 3.88Å; F417-Y641 AromaticContact CD1-CE2 4Å; F417-Y641 HydrophobicContact CD1-CE2 4Å; F417-Y641 AromaticContact CG-CD2 4Å; F417-Y641 HydrophobicContact CG-CD2 4Å; F417-Y641 HydrophobicContact CG-CE2 4.49Å; F417-Y641 PolarHBondContact N-O 2.97Å; F417-Y641 PolarHBondContact O-N 3.03Å; F417-H672 AromaticContact CE2-ND1 3.73Å; F417-Y676 HydrophobicContact CE2-CE2 4.07Å; F417-Y676 HydrophobicContact CZ-CE2 4.09Å
418S92.9Very high92.3Very high92 Ų9231.9 Ų31.964%0.64317%0.171SC*.EExtended strand (participates in β ladder)trans-110.7125.7176.2-170.20000110.3
419T93.3Very high90.8Very high7 Ų730.5 Ų30.54%0.04317%0.169CC..EExtended strand (participates in β ladder)trans-134.4-178-175.7-1660000111A615 E639 Y641T419-A615 WeakPolarHBondContact OG1-CB 3.42Å; T419-E639 CarbonylContact C-O 3.59Å; T419-E639 HydrophobicContact CG2-CB 4.07Å; T419-E639 WeakPolarHBondContact CG2-O 3.28Å; T419-E639 PolarHBondContact N-O 3.36Å; T419-E639 PolarHBondContact O-N 2.91Å; T419-E639 VanDerWaalsContact O-N 3.08Å; T419-Y641 HydrophobicContact CG2-CD1 4.03Å; T419-Y641 HydrophobicContact CG2-CE1 3.61Å
420S93.8Very high89Confident16 Ų1632.9 Ų32.911%0.11218%0.183CC..EExtended strand (participates in β ladder)trans-162161.9172.939.50000108.9K614 P635 A637S420-K614 WeakPolarHBondContact O-CB 3.49Å; S420-K614 PolarHBondContact O-N 2.98Å; S420-P635 VanDerWaalsContact OG-CB 3.24Å; S420-P635 WeakPolarHBondContact OG-CB 3.37Å; S420-A637 VanDerWaalsContact CA-O 3.27Å; S420-A637 WeakPolarHBondContact CA-O 3.29Å
421L94Very high87.2Confident0 Ų035.3 Ų35.30%020%0.204CC..EExtended strand (participates in β ladder)trans-72.5137.3170.8-63-178.6000111.2A570 Y573 D613 F636 A637L421-A570 HydrophobicContact CD1-CB 4.38Å; L421-A570 HydrophobicContact CD2-CB 3.73Å; L421-Y573 HydrophobicContact CD1-CD1 3.46Å; L421-Y573 VanDerWaalsContact CD1-CD1 3.46Å; L421-Y573 HydrophobicContact CD1-CE1 4.25Å; L421-Y573 HydrophobicContact CD1-CG 3.72Å; L421-D613 VanDerWaalsContact CD2-OD1 3.25Å; L421-D613 WeakPolarHBondContact CD2-OD1 3.41Å; L421-F636 WeakPolarHBondContact CA-O 3.42Å; L421-F636 HydrophobicContact CB-CD2 3.88Å; L421-F636 HydrophobicContact CB-CE1 4.19Å; L421-F636 HydrophobicContact CB-CE2 3.48Å; L421-F636 VanDerWaalsContact CB-CE2 3.48Å; L421-F636 HydrophobicContact CB-CG 4.41Å; L421-F636 HydrophobicContact CB-CZ 3.64Å; L421-F636 WeakPolarHBondContact CB-O 3.47Å; L421-F636 HydrophobicContact CD1-CD2 4.34Å; L421-F636 HydrophobicContact CD1-CE2 3.79Å; L421-F636 HydrophobicContact CG-CE2 4.29Å; L421-F636 PolarHBondContact N-O 3.36Å; L421-F636 WeakPolarHBondContact O-CD1 3.27Å; L421-F636 PolarHBondContact O-N 2.94Å; L421-A637 HydrophobicContact CB-CB 4.32Å; L421-A637 HydrophobicContact CD1-CB 3.79Å; L421-A637 HydrophobicContact CG-CB 3.91Å; L421-A637 PolarHBondContact N-O 3.45Å
422G93.1Very high85.6Confident5 Ų534.8 Ų34.85%0.05221%0.206CC..EExtended strand (participates in β ladder)trans-129.6173.8176.300000112M612G422-M612 PolarHBondContact N-O 2.94Å; G422-M612 PolarHBondContact O-N 2.98Å
423I93.8Very high84.4Confident1 Ų136.8 Ų36.81%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-125.4122.6176.9-48.6-178.6000108.3V425 L545 I548 L553 A609 F610 I611 T631 V632 F636I423-V425 HydrophobicContact CG2-CG1 4.42Å; I423-L545 HydrophobicContact CG2-CD1 3.82Å; I423-I548 HydrophobicContact CD1-CD1 4.4Å; I423-L553 HydrophobicContact CD1-CD1 3.89Å; I423-A609 HydrophobicContact CG2-CB 3.9Å; I423-F610 CarbonylContact C-O 3.56Å; I423-F610 WeakPolarHBondContact CA-O 3.31Å; I423-I611 HydrophobicContact CG1-CG1 4.36Å; I423-I611 HydrophobicContact CG2-CG1 4.44Å; I423-T631 CarbonylContact O-C 3.5Å; I423-T631 VanDerWaalsContact O-CA 3.24Å; I423-T631 WeakPolarHBondContact O-CA 3.3Å; I423-V632 HydrophobicContact CB-CG2 4.06Å; I423-V632 HydrophobicContact CG2-CG2 4.17Å; I423-V632 PolarHBondContact O-N 3.35Å; I423-F636 HydrophobicContact CD1-CE1 4.38Å; I423-F636 HydrophobicContact CG1-CE1 4.05Å
424L92.8Very high83.6Confident0 Ų041.7 Ų41.70%025%0.246CC..EExtended strand (participates in β ladder)trans-95.1134.1175-172.971.2000110V597 L600 A609 F610 L617 V621 L629 T631L424-V597 HydrophobicContact CD2-CG2 3.87Å; L424-L600 HydrophobicContact CB-CD1 4.13Å; L424-L600 HydrophobicContact CD2-CD1 3.64Å; L424-L600 HydrophobicContact CG-CD1 3.69Å; L424-A609 WeakPolarHBondContact O-CA 3.31Å; L424-F610 HydrophobicContact CB-CB 4.37Å; L424-F610 HydrophobicContact CB-CD1 4.5Å; L424-F610 HydrophobicContact CD2-CD1 4.31Å; L424-F610 PolarHBondContact N-O 3.04Å; L424-F610 PolarHBondContact O-N 3.12Å; L424-L617 HydrophobicContact CB-CD1 4.1Å; L424-L617 HydrophobicContact CB-CD2 3.87Å; L424-L617 HydrophobicContact CB-CG 4.43Å; L424-L617 HydrophobicContact CD2-CD2 4.04Å; L424-L617 HydrophobicContact CG-CD2 4.44Å; L424-V621 HydrophobicContact CD1-CG2 3.43Å; L424-V621 VanDerWaalsContact CD1-CG2 3.43Å; L424-L629 HydrophobicContact CD1-CB 4.07Å; L424-L629 HydrophobicContact CD1-CD1 4.4Å; L424-L629 HydrophobicContact CD2-CD1 4.19Å; L424-L629 HydrophobicContact CD2-CD2 4.48Å; L424-L629 HydrophobicContact CG-CD2 4.45Å; L424-T631 HydrophobicContact CD1-CG2 4.43Å
425V90.8Very high82.7Confident5 Ų542 Ų423%0.0325%0.254CS..EExtended strand (participates in β ladder)trans-137.1161.7174-61.80000110.9I423 L545 A609 L630 V632I423-V425 HydrophobicContact CG2-CG1 4.42Å; V425-L545 HydrophobicContact CG1-CD1 4.15Å; V425-A609 HydrophobicContact CG1-CB 3.84Å; V425-L630 HydrophobicContact CG2-CD2 3.79Å; V425-L630 HydrophobicContact CG2-CG 3.91Å; V425-L630 PolarHBondContact N-O 3.37Å; V425-L630 PolarHBondContact O-N 3.01Å; V425-V632 HydrophobicContact CG1-CG2 3.83Å; V425-V632 HydrophobicContact CG2-CB 4.37Å; V425-V632 HydrophobicContact CG2-CG1 3.56Å; V425-V632 HydrophobicContact CG2-CG2 3.86Å
426R87.6Confident81.8Confident40 Ų4040.3 Ų40.315%0.15124%0.244CC..EExtended strand (participates in β ladder)trans-96.3132.7173.4-170.8173.4-179.7-150.50.2109.8L600 N602 D603 E605 K628 L629R426-L600 WeakPolarHBondContact CD-O 3.35Å; R426-N602 PolarHBondContact NH1-O 2.98Å; R426-D603 IonicContact CZ-OD1 2.82Å; R426-D603 IonicContact CZ-OD2 3.19Å; R426-D603 IonicContact NH1-OD1 2.65Å; R426-D603 PolarHBondContact NH1-OD1 3.46Å; R426-D603 IonicContact NH1-OD2 2.64Å; R426-D603 IonicContact NH2-OD1 3.24Å; R426-D603 PolarHBondContact NH2-OD1 3.29Å; R426-D603 IonicContact NH2-OD2 4Å; R426-D603 PolarHBondContact NH2-OD2 2.85Å; R426-E605 VanDerWaalsContact NH1-CG 3.34Å; R426-E605 IonicContact NH1-OE1 3.89Å; R426-K628 CarbonylContact C-O 3.46Å; R426-K628 VanDerWaalsContact CA-O 3.32Å; R426-K628 WeakPolarHBondContact CA-O 3.48Å; R426-K628 HydrophobicContact CG-CB 4.43Å; R426-L629 HydrophobicContact CB-CD2 4.49Å
427T79.4Confident81.1Confident33 Ų3342.5 Ų42.520%0.20225%0.254CS..  trans-63.6138.6168.458.30000109.5I541 K628 L630T427-I541 HydrophobicContact CG2-CG2 3.86Å; T427-K628 PolarHBondContact N-O 2.81Å; T427-K628 WeakPolarHBondContact OG1-CA 3.24Å; T427-K628 WeakPolarHBondContact OG1-CB 3.48Å; T427-K628 PolarHBondContact OG1-O 3.44Å; T427-L630 HydrophobicContact CG2-CD2 3.4Å
428R72.2Confident80.6Confident88 Ų8845.8 Ų45.833%0.33227%0.271SS..  trans-109.8125.3171-64.3-171.6176.6131.9-4.6108.5T430 E544 E605 D608R428-T430 PolarHBondContact O-N 3.5Å; R428-E544 WeakPolarHBondContact CD-OE1 3.27Å; R428-E544 IonicContact CZ-OE1 3.98Å; R428-E544 IonicContact NE-OE1 3.71Å; R428-E544 IonicContact NH1-OE1 3.75Å; R428-E544 PolarHBondContact NH1-OE1 2.67Å; R428-E544 IonicContact NH1-OE2 2.9Å; R428-E544 PolarHBondContact NH1-OE2 2.97Å; R428-E605 IonicContact CZ-OE1 3.75Å; R428-E605 IonicContact CZ-OE2 3.3Å; R428-E605 IonicContact NE-OE1 3.53Å; R428-E605 PolarHBondContact NE-OE1 3.46Å; R428-E605 IonicContact NE-OE2 2.96Å; R428-E605 IonicContact NH2-OE1 2.7Å; R428-E605 PolarHBondContact NH2-OE1 3.45Å; R428-E605 IonicContact NH2-OE2 3.4Å; R428-E605 PolarHBondContact NH2-OE2 3.45Å; R428-D608 IonicContact NH2-OD1 2.66Å; R428-D608 PolarHBondContact NH2-OD1 3.16Å
429D62.8Low80.2Confident124 Ų12448.5 Ų48.566%0.66327%0.267SS*.  trans-69.872.8178.7-61.1-53.5000110.3A431 K628D429-A431 PolarHBondContact O-N 3.09Å; D429-K628 IonicContact OD1-NZ 2.66Å; D429-K628 IonicContact OD2-NZ 2.62Å; D429-K628 PolarHBondContact OD2-NZ 3.4Å
430T56.2Low80Confident89 Ų8948.5 Ų48.555%0.54627%0.267SS..  trans-67.794.6-177.658.90000109.9R428 A432R428-T430 PolarHBondContact O-N 3.5Å; T430-A432 PolarHBondContact O-N 2.75Å
431A57Low79.7Confident55 Ų5549 Ų4946%0.45527%0.268SS..PPolyproline II helixtrans-52126.8172.400000109.4D429D429-A431 PolarHBondContact O-N 3.09Å
432A62.5Low79.5Confident32 Ų3254.4 Ų54.426%0.26429%0.294SS..PPolyproline II helixtrans-51.3128.8-176.400000110.1T430 A436T430-A432 PolarHBondContact O-N 2.75Å; A432-A436 HydrophobicContact CB-CB 4.16Å
433P71.9Confident79.4Confident69 Ų6962.2 Ų62.245%0.44832%0.322SS..PPolyproline II helixtrans-62.1152.2-171.324-33.6000110.7G435 A436 W439P433-G435 PolarHBondContact O-N 3.26Å; P433-A436 HydrophobicContact CG-CB 4.3Å; P433-A436 WeakPolarHBondContact O-CB 3.14Å; P433-A436 PolarHBondContact O-N 2.8Å; P433-W439 HydrophobicContact CG-CH2 3.43Å; P433-W439 VanDerWaalsContact CG-CH2 3.43Å; P433-W439 HydrophobicContact CG-CZ2 3.36Å; P433-W439 HydrophobicContact CG-CZ3 4.43Å
434I79.1Confident79.4Confident108 Ų10864.9 Ų64.955%0.55434%0.338SS*.THydrogen-bonded Turntrans-53.5-28.7-169.2-56178000112.9F437 G701I434-F437 WeakPolarHBondContact O-CD1 3.46Å; I434-F437 WeakPolarHBondContact O-CE1 3.41Å; I434-G701 VanDerWaalsContact CG2-CA 3.47Å; I434-G701 WeakPolarHBondContact O-CA 3.47Å
435G76.9Confident79.4Confident34 Ų3470 Ų7035%0.35136%0.363SS..THydrogen-bonded Turntrans-89.22.5176.200000116.9P433 F437 M438P433-G435 PolarHBondContact O-N 3.26Å; G435-F437 PolarHBondContact O-N 3.48Å; G435-F437 VanDerWaalsContact O-N 3.14Å; G435-M438 WeakPolarHBondContact O-CB 3.4Å; G435-M438 PolarHBondContact O-N 2.88Å
436A77.3Confident79.4Confident18 Ų1874.1 Ų74.115%0.14938%0.378CS..G310 helixtrans-59.8-28.4-171.600000113.8A432 P433 M438 W439A432-A436 HydrophobicContact CB-CB 4.16Å; P433-A436 HydrophobicContact CG-CB 4.3Å; P433-A436 WeakPolarHBondContact O-CB 3.14Å; P433-A436 PolarHBondContact O-N 2.8Å; A436-M438 PolarHBondContact O-N 2.91Å; A436-M438 VanDerWaalsContact O-N 3.11Å; A436-W439 HydrophobicContact CB-CD2 4.12Å; A436-W439 HydrophobicContact CB-CE3 4.04Å; A436-W439 HydrophobicContact CB-CZ3 4.27Å; A436-W439 VanDerWaalsContact O-CB 3.31Å; A436-W439 WeakPolarHBondContact O-CB 3.32Å; A436-W439 PolarHBondContact O-N 3.37Å
437F80.6Confident79.7Confident52 Ų5276.5 Ų76.523%0.22839%0.394CS..G310 helixtrans-61.5-17.3174.372.5-91000113.8I434 G435 P440 Y528 L702 L705I434-F437 WeakPolarHBondContact O-CD1 3.46Å; I434-F437 WeakPolarHBondContact O-CE1 3.41Å; G435-F437 PolarHBondContact O-N 3.48Å; G435-F437 VanDerWaalsContact O-N 3.14Å; F437-P440 WeakPolarHBondContact O-CD 3.34Å; F437-Y528 PolarHBondContact O-OH 2.7Å; F437-L702 HydrophobicContact CB-CD2 4.14Å; F437-L702 HydrophobicContact CD1-CD2 3.98Å; F437-L702 HydrophobicContact CD2-CD2 3.72Å; F437-L702 HydrophobicContact CE1-CD2 4.32Å; F437-L702 HydrophobicContact CE2-CD2 4.08Å; F437-L702 HydrophobicContact CG-CD2 3.67Å; F437-L702 HydrophobicContact CG-CG 4.49Å; F437-L702 HydrophobicContact CZ-CD2 4.37Å; F437-L705 HydrophobicContact CE2-CD2 4.2Å; F437-L705 HydrophobicContact CZ-CD2 4.1Å
438M84.7Confident80.4Confident94 Ų9476.8 Ų76.846%0.46340%0.403SS..G310 helixtrans-87.3-19.2175.1-62.1-172.265.900113.3G435 A436 L441 W446G435-M438 WeakPolarHBondContact O-CB 3.4Å; G435-M438 PolarHBondContact O-N 2.88Å; A436-M438 PolarHBondContact O-N 2.91Å; A436-M438 VanDerWaalsContact O-N 3.11Å; M438-L441 PolarHBondContact O-N 3.47Å; M438-W446 PolarHBondContact O-NE1 3.19Å
439W85.3Confident81.4Confident148 Ų14873.8 Ų73.856%0.56139%0.393SS*.THydrogen-bonded Turntrans-58.5-31.7-177.1-65-7.8000116.3P433 A436 L441 V535P433-W439 HydrophobicContact CG-CH2 3.43Å; P433-W439 VanDerWaalsContact CG-CH2 3.43Å; P433-W439 HydrophobicContact CG-CZ2 3.36Å; P433-W439 HydrophobicContact CG-CZ3 4.43Å; A436-W439 HydrophobicContact CB-CD2 4.12Å; A436-W439 HydrophobicContact CB-CE3 4.04Å; A436-W439 HydrophobicContact CB-CZ3 4.27Å; A436-W439 VanDerWaalsContact O-CB 3.31Å; A436-W439 WeakPolarHBondContact O-CB 3.32Å; A436-W439 PolarHBondContact O-N 3.37Å; W439-L441 PolarHBondContact O-N 2.79Å; W439-V535 HydrophobicContact CE3-CG1 4.36Å
440P87.5Confident82.8Confident7 Ų773 Ų735%0.04538%0.384CS..THydrogen-bonded Turntrans-60.8-16.2-179.9-27.236.6000115.6F437 Y528 N531 L532F437-P440 WeakPolarHBondContact O-CD 3.34Å; P440-Y528 HydrophobicContact CB-CD2 4.03Å; P440-Y528 HydrophobicContact CB-CE2 4.11Å; P440-Y528 HydrophobicContact CG-CE2 4.16Å; P440-N531 HydrophobicContact CB-CB 3.77Å; P440-N531 WeakPolarHBondContact O-CB 3.39Å; P440-N531 PolarHBondContact O-ND2 2.92Å; P440-L532 HydrophobicContact CB-CB 4.3Å; P440-L532 HydrophobicContact CG-CB 3.82Å; P440-L532 HydrophobicContact CG-CD1 3.75Å; P440-L532 HydrophobicContact CG-CG 4.39Å
441L88.1Confident84.6Confident26 Ų2672 Ų7214%0.13638%0.377CS..SBendtrans-136.2125.2176.2-72.5176.3000110M438 W439 M445 W446 I449 Y528M438-L441 PolarHBondContact O-N 3.47Å; W439-L441 PolarHBondContact O-N 2.79Å; L441-M445 HydrophobicContact CB-CB 4.38Å; L441-M445 HydrophobicContact CD2-CB 4.36Å; L441-W446 HydrophobicContact CB-CZ2 4.17Å; L441-W446 HydrophobicContact CD1-CH2 4.35Å; L441-W446 HydrophobicContact CD1-CZ2 4.14Å; L441-W446 PolarHBondContact O-NE1 3.19Å; L441-I449 HydrophobicContact CD1-CD1 4.21Å; L441-Y528 HydrophobicContact CD1-CD2 3.99Å; L441-Y528 HydrophobicContact CG-CD2 4.22Å
442H90.4Very high86.4Confident115 Ų11570.7 Ų70.753%0.53237%0.367SS..  trans-59.6149.4174.9-172.7-107.1000111.4T444 M445 W446H442-T444 PolarHBondContact ND1-OG1 2.72Å; H442-T444 PolarHBondContact O-N 3.48Å; H442-M445 WeakPolarHBondContact O-CB 3.23Å; H442-M445 PolarHBondContact O-N 3.37Å; H442-W446 PolarHBondContact O-N 3.07Å
443W91.2Very high87.9Confident168 Ų16869.2 Ų69.264%0.63635%0.354SS*.Hα-helixtrans-56.7-29.6-173.272.6-94.6000113.9M445 W446 L447W443-M445 VanDerWaalsContact C-N 3.31Å; W443-M445 PolarHBondContact O-N 3.06Å; W443-W446 PolarHBondContact O-N 3.42Å; W443-L447 HydrophobicContact CZ3-CD2 4.07Å; W443-L447 PolarHBondContact O-N 3.22Å
444T93.9Very high88.8Confident57 Ų5768.2 Ų68.235%0.3534%0.344SS..Hα-helixtrans-65.6-30.6174.355.30000113.1H442 G448H442-T444 PolarHBondContact ND1-OG1 2.72Å; H442-T444 PolarHBondContact O-N 3.48Å; T444-G448 PolarHBondContact O-N 2.8Å
445M92Very high89.5Confident107 Ų10767 Ų6753%0.52734%0.337SS..Hα-helixtrans-74.1-40.6175.8-63.3-62140.300111.4L441 H442 W443 L447 G448 I449L441-M445 HydrophobicContact CB-CB 4.38Å; L441-M445 HydrophobicContact CD2-CB 4.36Å; H442-M445 WeakPolarHBondContact O-CB 3.23Å; H442-M445 PolarHBondContact O-N 3.37Å; W443-M445 VanDerWaalsContact C-N 3.31Å; W443-M445 PolarHBondContact O-N 3.06Å; M445-L447 VanDerWaalsContact C-N 3.33Å; M445-L447 PolarHBondContact O-N 3.01Å; M445-G448 PolarHBondContact O-N 3.18Å; M445-I449 WeakPolarHBondContact O-CG1 3.24Å; M445-I449 PolarHBondContact O-N 3.06Å
446W91.8Very high90.3Very high93 Ų9366.3 Ų66.335%0.35233%0.327SS..Hα-helixtrans-58.4-44.7171.7-69107.3000111.8M438 L441 H442 W443 F450 Y528M438-W446 PolarHBondContact O-NE1 3.19Å; L441-W446 HydrophobicContact CB-CZ2 4.17Å; L441-W446 HydrophobicContact CD1-CH2 4.35Å; L441-W446 HydrophobicContact CD1-CZ2 4.14Å; L441-W446 PolarHBondContact O-NE1 3.19Å; H442-W446 PolarHBondContact O-N 3.07Å; W443-W446 PolarHBondContact O-N 3.42Å; W446-F450 WeakPolarHBondContact O-CB 3.35Å; W446-F450 PolarHBondContact O-N 2.78Å; W446-Y528 HydrophobicContact CH2-CD2 4.16Å; W446-Y528 AromaticContact CH2-CE2 3.94Å; W446-Y528 HydrophobicContact CH2-CE2 3.94Å; W446-Y528 HydrophobicContact CZ2-CD2 4.19Å; W446-Y528 AromaticContact CZ2-CE2 3.9Å; W446-Y528 HydrophobicContact CZ2-CE2 3.9Å
447L93.6Very high90.9Very high90 Ų9065.5 Ų65.547%0.47132%0.319SS..Hα-helixtrans-64.1-41.8173.7-178.860000112W443 M445 F450 V451W443-L447 HydrophobicContact CZ3-CD2 4.07Å; W443-L447 PolarHBondContact O-N 3.22Å; M445-L447 VanDerWaalsContact C-N 3.33Å; M445-L447 PolarHBondContact O-N 3.01Å; L447-F450 PolarHBondContact O-N 3.46Å; L447-V451 HydrophobicContact CD1-CG2 4.16Å; L447-V451 HydrophobicContact CG-CG2 4.48Å; L447-V451 WeakPolarHBondContact O-CG2 3.22Å; L447-V451 PolarHBondContact O-N 3.37Å
448G93.6Very high91.4Very high38 Ų3866.8 Ų66.839%0.39233%0.328SS..Hα-helixtrans-59.3-46.7176.300000113T444 M445 V451 A452T444-G448 PolarHBondContact O-N 2.8Å; M445-G448 PolarHBondContact O-N 3.18Å; G448-V451 PolarHBondContact O-N 3.18Å; G448-A452 VanDerWaalsContact O-CB 3.26Å; G448-A452 WeakPolarHBondContact O-CB 3.37Å; G448-A452 PolarHBondContact O-N 2.85Å
449I93.1Very high91.6Very high25 Ų2566.8 Ų66.813%0.12833%0.326CS..Hα-helixtrans-62-43.9175.7-67.2163.9000110.6L441 M445 A452 L453 L495 C524L441-I449 HydrophobicContact CD1-CD1 4.21Å; M445-I449 WeakPolarHBondContact O-CG1 3.24Å; M445-I449 PolarHBondContact O-N 3.06Å; I449-A452 PolarHBondContact O-N 2.73Å; I449-L453 VanDerWaalsContact O-CB 3.3Å; I449-L453 WeakPolarHBondContact O-CB 3.47Å; I449-L453 PolarHBondContact O-N 3.34Å; I449-L495 HydrophobicContact CG2-CD1 4.1Å; I449-L495 HydrophobicContact CG2-CD2 3.8Å; I449-C524 HydrophobicContact CD1-CB 4.49Å
450F92.8Very high91.7Very high109 Ų10959.9 Ų59.948%0.47830%0.3SS..Hα-helixtrans-60.7-46.3177178.8-89000112.1W446 L447 H454W446-F450 WeakPolarHBondContact O-CB 3.35Å; W446-F450 PolarHBondContact O-N 2.78Å; L447-F450 PolarHBondContact O-N 3.46Å; F450-H454 AromaticContact CD1-ND1 3.97Å; F450-H454 AromaticContact CD2-CE1 3.85Å; F450-H454 AromaticContact CE1-CE1 3.77Å; F450-H454 AromaticContact CE1-ND1 3.81Å; F450-H454 AromaticContact CE2-CE1 3.39Å; F450-H454 WeakPolarHBondContact CE2-CE1 3.41Å; F450-H454 AromaticContact CZ-CE1 3.34Å; F450-H454 WeakPolarHBondContact CZ-CE1 3.48Å; F450-H454 AromaticContact CZ-ND1 3.87Å; F450-H454 PolarHBondContact O-N 3.33Å; F450-H454 PolarHBondContact O-ND1 2.91Å
451V94.6Very high91.5Very high67 Ų6760 Ų6041%0.40630%0.3SS..Hα-helixtrans-66.4-46.3178.5170.10000111L447 G448 L453 H454 I455L447-V451 HydrophobicContact CD1-CG2 4.16Å; L447-V451 HydrophobicContact CG-CG2 4.48Å; L447-V451 WeakPolarHBondContact O-CG2 3.22Å; L447-V451 PolarHBondContact O-N 3.37Å; G448-V451 PolarHBondContact O-N 3.18Å; V451-L453 VanDerWaalsContact C-N 3.32Å; V451-L453 PolarHBondContact O-N 2.95Å; V451-H454 PolarHBondContact O-N 3.4Å; V451-I455 HydrophobicContact CG1-CD1 3.64Å; V451-I455 HydrophobicContact CG1-CG1 4.36Å; V451-I455 WeakPolarHBondContact O-CG1 3.48Å; V451-I455 PolarHBondContact O-N 3.25Å
452A93.8Very high91.3Very high28 Ų2862.2 Ų62.223%0.23131%0.312CS..Hα-helixtrans-59.4-41177.500000112.3G448 I449 H454 I455 T456 W517G448-A452 VanDerWaalsContact O-CB 3.26Å; G448-A452 WeakPolarHBondContact O-CB 3.37Å; G448-A452 PolarHBondContact O-N 2.85Å; I449-A452 PolarHBondContact O-N 2.73Å; A452-H454 PolarHBondContact O-N 3.24Å; A452-I455 PolarHBondContact O-N 2.74Å; A452-T456 WeakPolarHBondContact O-CB 3.21Å; A452-T456 PolarHBondContact O-N 2.81Å; A452-T456 PolarHBondContact O-OG1 2.85Å; A452-W517 HydrophobicContact CB-CH2 4.41Å; A452-W517 HydrophobicContact CB-CZ3 4.09Å
453L93.6Very high91Very high1 Ų161.2 Ų61.21%0.00530%0.304CS..Hα-helixtrans-59.6-45.2176-178.9148.6000112I449 V451 A457 L488 C491 Y492 L495 W517I449-L453 VanDerWaalsContact O-CB 3.3Å; I449-L453 WeakPolarHBondContact O-CB 3.47Å; I449-L453 PolarHBondContact O-N 3.34Å; V451-L453 VanDerWaalsContact C-N 3.32Å; V451-L453 PolarHBondContact O-N 2.95Å; L453-A457 WeakPolarHBondContact O-CB 3.37Å; L453-A457 PolarHBondContact O-N 2.9Å; L453-L488 HydrophobicContact CD2-CD2 3.65Å; L453-C491 HydrophobicContact CD1-CB 4.27Å; L453-C491 HydrophobicContact CD2-CB 4.4Å; L453-C491 HydrophobicContact CG-CB 3.87Å; L453-Y492 HydrophobicContact CD1-CD1 3.44Å; L453-Y492 VanDerWaalsContact CD1-CD1 3.44Å; L453-Y492 HydrophobicContact CD1-CD2 4.31Å; L453-Y492 HydrophobicContact CD1-CE1 3.56Å; L453-Y492 HydrophobicContact CD1-CE2 4.4Å; L453-Y492 HydrophobicContact CD1-CG 3.85Å; L453-Y492 HydrophobicContact CD2-CD1 4.37Å; L453-Y492 HydrophobicContact CD2-CD2 3.98Å; L453-Y492 HydrophobicContact CD2-CE1 4.01Å; L453-Y492 HydrophobicContact CD2-CE2 3.58Å; L453-Y492 HydrophobicContact CD2-CG 4.35Å; L453-Y492 HydrophobicContact CG-CE1 4.47Å; L453-L495 HydrophobicContact CD1-CB 4.48Å; L453-L495 HydrophobicContact CD1-CD2 3.78Å; L453-W517 VanDerWaalsContact CA-CH2 3.45Å; L453-W517 HydrophobicContact CB-CH2 3.72Å; L453-W517 HydrophobicContact CB-CZ2 3.83Å; L453-W517 HydrophobicContact CD1-CZ2 4.08Å; L453-W517 HydrophobicContact CG-CH2 4.43Å; L453-W517 HydrophobicContact CG-CZ2 4.03Å
454H92Very high90.5Very high48 Ų4853.8 Ų53.822%0.22228%0.276CS..Hα-helixtrans-69.4-40.3179.4-73.281.5000111.8F450 V451 A452 A457 I458 Y492F450-H454 AromaticContact CD1-ND1 3.97Å; F450-H454 AromaticContact CD2-CE1 3.85Å; F450-H454 AromaticContact CE1-CE1 3.77Å; F450-H454 AromaticContact CE1-ND1 3.81Å; F450-H454 AromaticContact CE2-CE1 3.39Å; F450-H454 WeakPolarHBondContact CE2-CE1 3.41Å; F450-H454 AromaticContact CZ-CE1 3.34Å; F450-H454 WeakPolarHBondContact CZ-CE1 3.48Å; F450-H454 AromaticContact CZ-ND1 3.87Å; F450-H454 PolarHBondContact O-N 3.33Å; F450-H454 PolarHBondContact O-ND1 2.91Å; V451-H454 PolarHBondContact O-N 3.4Å; A452-H454 PolarHBondContact O-N 3.24Å; H454-A457 PolarHBondContact O-N 3.27Å; H454-I458 VanDerWaalsContact O-CG1 3.31Å; H454-I458 WeakPolarHBondContact O-CG1 3.32Å; H454-I458 PolarHBondContact O-N 2.9Å; H454-Y492 PolarHBondContact CE1-OH 3.36Å
455I93.8Very high89.7Confident82 Ų8257 Ų5742%0.42128%0.282SS..Hα-helixtrans-60.7-48.9174.8-70.3172.5000110.8V451 A452 A457 I458 F459V451-I455 HydrophobicContact CG1-CD1 3.64Å; V451-I455 HydrophobicContact CG1-CG1 4.36Å; V451-I455 WeakPolarHBondContact O-CG1 3.48Å; V451-I455 PolarHBondContact O-N 3.25Å; A452-I455 PolarHBondContact O-N 2.74Å; I455-A457 VanDerWaalsContact C-N 3.35Å; I455-A457 PolarHBondContact O-N 2.96Å; I455-I458 WeakPolarHBondContact O-CB 3.36Å; I455-I458 PolarHBondContact O-N 3.22Å; I455-F459 HydrophobicContact CG2-CD2 3.68Å; I455-F459 HydrophobicContact CG2-CE2 3.6Å; I455-F459 WeakPolarHBondContact O-CD2 3.38Å; I455-F459 PolarHBondContact O-N 3.32Å
456T92.2Very high88.9Confident20 Ų2060.7 Ų60.712%0.12330%0.295CS..Hα-helixtrans-63.3-39177.5-70.80000111.8A452 I458 F459 L460 L513 W517A452-T456 WeakPolarHBondContact O-CB 3.21Å; A452-T456 PolarHBondContact O-N 2.81Å; A452-T456 PolarHBondContact O-OG1 2.85Å; T456-I458 PolarHBondContact O-N 3.45Å; T456-F459 PolarHBondContact O-N 3.04Å; T456-L460 HydrophobicContact CG2-CD1 4.11Å; T456-L460 HydrophobicContact CG2-CG 4.4Å; T456-L460 WeakPolarHBondContact O-CB 3.26Å; T456-L460 WeakPolarHBondContact O-CG 3.5Å; T456-L460 PolarHBondContact O-N 3.4Å; T456-L513 HydrophobicContact CG2-CD1 4.32Å; T456-L513 HydrophobicContact CG2-CD2 4.35Å; T456-L513 HydrophobicContact CG2-CG 4.19Å; T456-W517 HydrophobicContact CG2-CB 4.06Å; T456-W517 HydrophobicContact CG2-CD2 3.95Å; T456-W517 HydrophobicContact CG2-CE3 4Å; T456-W517 HydrophobicContact CG2-CG 3.97Å
457A90.6Very high87.9Confident0 Ų057.1 Ų57.10%028%0.284CS..Hα-helixtrans-64.3-36.9174.300000112.8L453 H454 I455 T461 F484 A487 L488L453-A457 WeakPolarHBondContact O-CB 3.37Å; L453-A457 PolarHBondContact O-N 2.9Å; H454-A457 PolarHBondContact O-N 3.27Å; I455-A457 VanDerWaalsContact C-N 3.35Å; I455-A457 PolarHBondContact O-N 2.96Å; A457-T461 PolarHBondContact O-N 3.45Å; A457-T461 VanDerWaalsContact O-N 3.15Å; A457-F484 HydrophobicContact CB-CD2 4.22Å; A457-F484 HydrophobicContact CB-CE2 3.67Å; A457-A487 HydrophobicContact CB-CB 4.11Å; A457-A487 WeakPolarHBondContact O-CB 3.41Å; A457-L488 HydrophobicContact CB-CD2 3.57Å; A457-L488 HydrophobicContact CB-CG 3.93Å
458I90.1Very high86.5Confident79 Ų7957.4 Ų57.441%0.40529%0.291SS..Hα-helixtrans-62.7-52.9172.2-69.8166.2000109.7H454 I455 T456 L460 T461 L462 F484H454-I458 VanDerWaalsContact O-CG1 3.31Å; H454-I458 WeakPolarHBondContact O-CG1 3.32Å; H454-I458 PolarHBondContact O-N 2.9Å; I455-I458 WeakPolarHBondContact O-CB 3.36Å; I455-I458 PolarHBondContact O-N 3.22Å; T456-I458 PolarHBondContact O-N 3.45Å; I458-L460 VanDerWaalsContact C-N 3.33Å; I458-L460 PolarHBondContact O-N 2.99Å; I458-T461 PolarHBondContact O-N 3.42Å; I458-T461 PolarHBondContact O-OG1 3.07Å; I458-L462 HydrophobicContact CG2-CD1 3.84Å; I458-L462 HydrophobicContact CG2-CG 4.27Å; I458-L462 WeakPolarHBondContact O-CG 3.42Å; I458-L462 PolarHBondContact O-N 3.41Å; I458-F484 HydrophobicContact CG1-CD2 4.34Å; I458-F484 HydrophobicContact CG1-CE2 3.63Å; I458-F484 HydrophobicContact CG1-CZ 4.12Å
459F89.7Confident84.9Confident95 Ų9562.2 Ų62.242%0.41730%0.302SS..Hα-helixtrans-60.3-39.3-180-80.2-65.3000113.1I455 T456 T461 L462 Y463 L513I455-F459 HydrophobicContact CG2-CD2 3.68Å; I455-F459 HydrophobicContact CG2-CE2 3.6Å; I455-F459 WeakPolarHBondContact O-CD2 3.38Å; I455-F459 PolarHBondContact O-N 3.32Å; T456-F459 PolarHBondContact O-N 3.04Å; F459-T461 VanDerWaalsContact C-N 3.34Å; F459-T461 PolarHBondContact O-N 3.03Å; F459-L462 HydrophobicContact CD1-CD1 4.43Å; F459-L462 PolarHBondContact O-N 3.27Å; F459-Y463 HydrophobicContact CB-CE2 4.41Å; F459-Y463 HydrophobicContact CD1-CE1 4.42Å; F459-Y463 WeakPolarHBondContact O-CB 3.38Å; F459-Y463 VanDerWaalsContact O-CG 3.26Å; F459-Y463 PolarHBondContact O-N 3.05Å; F459-L513 HydrophobicContact CB-CD2 3.78Å
460L86.8Confident83.3Confident3 Ų361.7 Ų61.72%0.01630%0.303CS..Hα-helixtrans-59.3-41.9172.8-75.1171.7000112.2T456 I458 E464 A487 G510 L513T456-L460 HydrophobicContact CG2-CD1 4.11Å; T456-L460 HydrophobicContact CG2-CG 4.4Å; T456-L460 WeakPolarHBondContact O-CB 3.26Å; T456-L460 WeakPolarHBondContact O-CG 3.5Å; T456-L460 PolarHBondContact O-N 3.4Å; I458-L460 VanDerWaalsContact C-N 3.33Å; I458-L460 PolarHBondContact O-N 2.99Å; L460-E464 PolarHBondContact O-N 3.19Å; L460-A487 HydrophobicContact CB-CB 4.41Å; L460-G510 WeakPolarHBondContact CD2-O 3.43Å; L460-L513 HydrophobicContact CD2-CB 4.17Å; L460-L513 HydrophobicContact CD2-CD2 3.89Å; L460-L513 HydrophobicContact CD2-CG 4.1Å; L460-L513 HydrophobicContact CG-CD2 3.88Å; L460-L513 HydrophobicContact CG-CG 4.35Å
461T84.1Confident81.5Confident8 Ų861.6 Ų61.65%0.04931%0.305CS..Hα-helixtrans-66.5-42.3173.5570000113.2A457 I458 F459 Y463 E464 W465 F484 A487A457-T461 PolarHBondContact O-N 3.45Å; A457-T461 VanDerWaalsContact O-N 3.15Å; I458-T461 PolarHBondContact O-N 3.42Å; I458-T461 PolarHBondContact O-OG1 3.07Å; F459-T461 VanDerWaalsContact C-N 3.34Å; F459-T461 PolarHBondContact O-N 3.03Å; T461-Y463 VanDerWaalsContact C-N 3.34Å; T461-Y463 PolarHBondContact O-N 3.16Å; T461-E464 PolarHBondContact O-N 2.74Å; T461-W465 WeakPolarHBondContact O-CB 3.4Å; T461-W465 VanDerWaalsContact O-CD1 3.28Å; T461-W465 PolarHBondContact O-N 3.35Å; T461-F484 VanDerWaalsContact CG2-CA 3.46Å; T461-F484 HydrophobicContact CG2-CB 4.01Å; T461-F484 HydrophobicContact CG2-CD2 4.23Å; T461-A487 HydrophobicContact CG2-CB 3.7Å
462L83.9Confident79.4Confident73 Ų7362.3 Ų62.338%0.38231%0.31SS..Hα-helixtrans-63.1-41.9179.4-68.2174.6000111.2I458 F459 W465 K466I458-L462 HydrophobicContact CG2-CD1 3.84Å; I458-L462 HydrophobicContact CG2-CG 4.27Å; I458-L462 WeakPolarHBondContact O-CG 3.42Å; I458-L462 PolarHBondContact O-N 3.41Å; F459-L462 HydrophobicContact CD1-CD1 4.43Å; F459-L462 PolarHBondContact O-N 3.27Å; L462-W465 PolarHBondContact O-N 2.66Å; L462-K466 VanDerWaalsContact O-CB 3.29Å; L462-K466 WeakPolarHBondContact O-CB 3.47Å; L462-K466 WeakPolarHBondContact O-CG 3.46Å; L462-K466 PolarHBondContact O-N 2.73Å
463Y85.1Confident77.3Confident95 Ų9567.3 Ų67.337%0.37334%0.34SS..Hα-helixtrans-67-38.6175.8-64.8-18.5000112.6F459 T461 S467 L513F459-Y463 HydrophobicContact CB-CE2 4.41Å; F459-Y463 HydrophobicContact CD1-CE1 4.42Å; F459-Y463 WeakPolarHBondContact O-CB 3.38Å; F459-Y463 VanDerWaalsContact O-CG 3.26Å; F459-Y463 PolarHBondContact O-N 3.05Å; T461-Y463 VanDerWaalsContact C-N 3.34Å; T461-Y463 PolarHBondContact O-N 3.16Å; Y463-S467 WeakPolarHBondContact O-CB 3.25Å; Y463-S467 PolarHBondContact O-N 3.2Å; Y463-L513 HydrophobicContact CD2-CD2 3.99Å; Y463-L513 HydrophobicContact CE2-CD2 3.76Å
464E80.3Confident75.1Confident11 Ų1177.4 Ų77.45%0.05138%0.384CS..Hα-helixtrans-70.6-33.5172.7-80.3-143.2-14500113.8L460 T461 G470 F482 P505L460-E464 PolarHBondContact O-N 3.19Å; T461-E464 PolarHBondContact O-N 2.74Å; E464-G470 WeakPolarHBondContact O-CA 3.33Å; E464-F482 HydrophobicContact CB-CD1 4.23Å; E464-F482 HydrophobicContact CG-CD1 4.12Å; E464-F482 WeakPolarHBondContact OE1-CG 3.47Å; E464-F482 WeakPolarHBondContact OE2-CB 3.3Å; E464-P505 HydrophobicContact CG-CB 4.44Å; E464-P505 WeakPolarHBondContact OE1-CA 3.16Å; E464-P505 WeakPolarHBondContact OE1-CB 3.48Å
465W76.4Confident73.1Confident126 Ų12676.9 Ų76.948%0.47739%0.392SS..Hα-helixtrans-78.5-28.7179.4-67.86.5000113T461 L462 M471 F482T461-W465 WeakPolarHBondContact O-CB 3.4Å; T461-W465 VanDerWaalsContact O-CD1 3.28Å; T461-W465 PolarHBondContact O-N 3.35Å; L462-W465 PolarHBondContact O-N 2.66Å; W465-M471 HydrophobicContact CB-CE 4.48Å; W465-M471 HydrophobicContact CG-CE 4.42Å; W465-F482 PolarHBondContact NE1-O 2.86Å
466K75.3Confident70.7Confident183 Ų18384.9 Ų84.980%0.79642%0.417SS*.Hα-helixtrans-93.4-19.3178.1-66.5-68.9-172.2173.40114L462L462-K466 VanDerWaalsContact O-CB 3.29Å; L462-K466 WeakPolarHBondContact O-CB 3.47Å; L462-K466 WeakPolarHBondContact O-CG 3.46Å; L462-K466 PolarHBondContact O-N 2.73Å
467S70.3Confident68.7Low18 Ų1890 Ų9013%0.12644%0.443CS..SBendtrans-78.8134.5179.6-1760000112.3Y463 F469 G470 M471 C507Y463-S467 WeakPolarHBondContact O-CB 3.25Å; Y463-S467 PolarHBondContact O-N 3.2Å; S467-F469 PolarHBondContact O-N 2.82Å; S467-F469 VanDerWaalsContact O-N 3.12Å; S467-G470 PolarHBondContact O-N 3.43Å; S467-M471 PolarHBondContact O-N 2.84Å; S467-C507 WeakPolarHBondContact OG-CB 3.04Å
468P64.4Low66.9Low96 Ų96100.6 Ų100.662%0.62348%0.483SS*.THydrogen-bonded Turntrans-63.2-18.8176.926.3-35.3000113.5
469F60.4Low64.9Low139 Ų139102.3 Ų102.361%0.6149%0.493SS*.THydrogen-bonded Turntrans-81.9-18174.3-60.5-78000113.3S467 K506S467-F469 PolarHBondContact O-N 2.82Å; S467-F469 VanDerWaalsContact O-N 3.12Å; F469-K506 VanDerWaalsContact O-CD 3.22Å; F469-K506 WeakPolarHBondContact O-CD 3.28Å
470G58.8Low63.2Low14 Ų14105.7 Ų105.714%0.14451%0.507CS..THydrogen-bonded Turntrans-77.9-56.1175.200000111.9E464 S467 K506E464-G470 WeakPolarHBondContact O-CA 3.33Å; S467-G470 PolarHBondContact O-N 3.43Å; G470-K506 PolarHBondContact O-NZ 3.42Å
471M56.3Low61.9Low108 Ų108109.4 Ų109.453%0.53253%0.53SS..  trans-103.385.9177.2-68.9-162.1-177.500112.5W465 S467 P473W465-M471 HydrophobicContact CB-CE 4.48Å; W465-M471 HydrophobicContact CG-CE 4.42Å; S467-M471 PolarHBondContact O-N 2.84Å; M471-P473 WeakPolarHBondContact O-CD 3.49Å
472T50.1Low61Low82 Ų82110.2 Ų110.250%0.50353%0.533SS..  trans-83.1113.8169.747.50000111.1K474 G475T472-K474 PolarHBondContact O-N 3.42Å; T472-K474 VanDerWaalsContact O-N 3.12Å; T472-G475 PolarHBondContact O-N 2.95Å
473P50.2Low60.6Low133 Ų133109.4 Ų109.486%0.86453%0.534SS*.THydrogen-bonded Turntrans-71.7-10.9-166.827-35.5000115.3M471M471-P473 WeakPolarHBondContact O-CD 3.49Å
474K46.4Very low60.4Low212 Ų212108.5 Ų108.592%0.92253%0.532SS*.THydrogen-bonded Turntrans-11514.6178.2-65.4-174.8176.7179.90113.9T472T472-K474 PolarHBondContact O-N 3.42Å; T472-K474 VanDerWaalsContact O-N 3.12Å
475G49.3Very low60.4Low38 Ų38111 Ų11139%0.39255%0.551SS.*  trans-83.1132-179.900000114.4T472 N477T472-G475 PolarHBondContact O-N 2.95Å; G475-N477 PolarHBondContact O-N 2.82Å
476R44.8Very low60.6Low250 Ų250106.9 Ų106.994%0.94354%0.541SS*.SBendtrans-66.818.7-174.7-161.4175.6168.7111.8-3.5116.1
477N50.1Low61Low127 Ų12798.1 Ų98.168%0.67950%0.503SS*.  trans-136.542-171.6-94.8-53.8000114.4G475 N479 K480G475-N477 PolarHBondContact O-N 2.82Å; N477-N479 PolarHBondContact O-N 2.89Å; N477-K480 PolarHBondContact O-N 3.34Å
478R51.7Low61.8Low222 Ų22298.6 Ų98.684%0.83850%0.504SS*.THydrogen-bonded Turntrans-59.7-5.5-179.1-156.8164.180.6179.55.9115.5
479N48.8Very low62.8Low116 Ų11698.7 Ų98.762%0.6250%0.499SS*.THydrogen-bonded Turntrans-88.8-13.6-176.9-70.9-12.1000115.2N477 R749N477-N479 PolarHBondContact O-N 2.89Å; N479-R749 PolarHBondContact O-NH1 3.11Å; N479-R749 VanDerWaalsContact O-NH1 3.12Å
480K52.8Low64Low165 Ų16592.4 Ų92.472%0.71747%0.472SS*.  trans-121.166.4-176.9-69.3177.3178.5171.90111.9N477N477-K480 PolarHBondContact O-N 3.34Å
481V59.9Low65.4Low82 Ų8291.7 Ų91.750%0.49747%0.465SS..  trans-73.4143.1170.3-178.10000109.7S483V481-S483 PolarHBondContact O-N 3.09Å
482F66.3Low67Low25 Ų2590.1 Ų90.111%0.1145%0.454CS..  trans-71.5123.6172.6-166.1-102.6000109.8E464 W465 S486 A487 V490E464-F482 HydrophobicContact CB-CD1 4.23Å; E464-F482 HydrophobicContact CG-CD1 4.12Å; E464-F482 WeakPolarHBondContact OE1-CG 3.47Å; E464-F482 WeakPolarHBondContact OE2-CB 3.3Å; W465-F482 PolarHBondContact NE1-O 2.86Å; F482-S486 VanDerWaalsContact CD2-OG 3.31Å; F482-S486 WeakPolarHBondContact CD2-OG 3.35Å; F482-A487 HydrophobicContact CE1-CB 3.61Å; F482-A487 HydrophobicContact CZ-CB 4.04Å; F482-V490 HydrophobicContact CE2-CG2 4.35Å; F482-V490 HydrophobicContact CZ-CG2 4.19Å
483S74.6Confident68.7Low56 Ų5686.7 Ų86.739%0.39243%0.433SS..  trans-109.8159.6-173.1-179.90000110.5V481 S485 S486 A487V481-S483 PolarHBondContact O-N 3.09Å; S483-S485 PolarHBondContact O-N 3.04Å; S483-S485 PolarHBondContact OG-N 3.08Å; S483-S486 PolarHBondContact N-OG 3.12Å; S483-S486 WeakPolarHBondContact O-CA 3.17Å; S483-S486 PolarHBondContact O-N 3.12Å; S483-S486 PolarHBondContact O-OG 2.86Å; S483-A487 PolarHBondContact O-N 3.01Å
484F81.8Confident70.6Confident75 Ų7582.8 Ų82.833%0.32941%0.405SS..Hα-helixtrans-55.1-35169.4-175.2-121.7000112.4A457 I458 T461 S486 A487 L488A457-F484 HydrophobicContact CB-CD2 4.22Å; A457-F484 HydrophobicContact CB-CE2 3.67Å; I458-F484 HydrophobicContact CG1-CD2 4.34Å; I458-F484 HydrophobicContact CG1-CE2 3.63Å; I458-F484 HydrophobicContact CG1-CZ 4.12Å; T461-F484 VanDerWaalsContact CG2-CA 3.46Å; T461-F484 HydrophobicContact CG2-CB 4.01Å; T461-F484 HydrophobicContact CG2-CD2 4.23Å; F484-S486 VanDerWaalsContact C-N 3.32Å; F484-S486 PolarHBondContact O-N 3.14Å; F484-A487 PolarHBondContact O-N 3.11Å; F484-L488 HydrophobicContact CD1-CD1 3.91Å; F484-L488 HydrophobicContact CD1-CG 4.46Å; F484-L488 HydrophobicContact CD2-CG 4.37Å; F484-L488 HydrophobicContact CE1-CD1 3.51Å; F484-L488 HydrophobicContact CE1-CG 4.11Å; F484-L488 HydrophobicContact CE2-CD1 4.3Å; F484-L488 HydrophobicContact CE2-CD2 4.18Å; F484-L488 HydrophobicContact CE2-CG 3.97Å; F484-L488 HydrophobicContact CG-CD1 4.47Å; F484-L488 HydrophobicContact CZ-CD1 3.73Å; F484-L488 HydrophobicContact CZ-CD2 3.95Å; F484-L488 HydrophobicContact CZ-CG 3.84Å; F484-L488 WeakPolarHBondContact O-CB 3.46Å; F484-L488 WeakPolarHBondContact O-CG 3.37Å; F484-L488 PolarHBondContact O-N 2.94Å
485S80.1Confident72.5Confident64 Ų6474.2 Ų74.245%0.44837%0.369SS..Hα-helixtrans-62.8-32.7172.1168.70000113.5S483 N489S483-S485 PolarHBondContact O-N 3.04Å; S483-S485 PolarHBondContact OG-N 3.08Å; S485-N489 WeakPolarHBondContact O-CB 3.37Å; S485-N489 PolarHBondContact O-N 2.86Å
486S79.8Confident74.3Confident39 Ų3979 Ų7927%0.27338%0.379SS..Hα-helixtrans-82.3-31.6173.154.50000112.8F482 S483 F484 N489 V490F482-S486 VanDerWaalsContact CD2-OG 3.31Å; F482-S486 WeakPolarHBondContact CD2-OG 3.35Å; S483-S486 PolarHBondContact N-OG 3.12Å; S483-S486 WeakPolarHBondContact O-CA 3.17Å; S483-S486 PolarHBondContact O-N 3.12Å; S483-S486 PolarHBondContact O-OG 2.86Å; F484-S486 VanDerWaalsContact C-N 3.32Å; F484-S486 PolarHBondContact O-N 3.14Å; S486-N489 PolarHBondContact O-N 3.41Å; S486-V490 WeakPolarHBondContact O-CG2 3.43Å; S486-V490 PolarHBondContact O-N 2.62Å
487A84.2Confident76Confident0 Ų069.9 Ų69.90%036%0.364CS..Hα-helixtrans-63.5-50.6173.900000111.6A457 L460 T461 F482 S483 F484 N489 V490 C491A457-A487 HydrophobicContact CB-CB 4.11Å; A457-A487 WeakPolarHBondContact O-CB 3.41Å; L460-A487 HydrophobicContact CB-CB 4.41Å; T461-A487 HydrophobicContact CG2-CB 3.7Å; F482-A487 HydrophobicContact CE1-CB 3.61Å; F482-A487 HydrophobicContact CZ-CB 4.04Å; S483-A487 PolarHBondContact O-N 3.01Å; F484-A487 PolarHBondContact O-N 3.11Å; A487-N489 VanDerWaalsContact C-N 3.29Å; A487-N489 PolarHBondContact O-N 3.01Å; A487-V490 WeakPolarHBondContact O-CB 3.39Å; A487-V490 PolarHBondContact O-N 2.95Å; A487-C491 PolarHBondContact O-N 3.03Å; A487-C491 PolarHBondContact O-SG 3.19Å
488L87.5Confident77.3Confident28 Ų2872.7 Ų72.715%0.14737%0.365CS..Hα-helixtrans-56-43.6173.4-74.9172.8000111.7L453 A457 F484 V490 C491 Y492L453-L488 HydrophobicContact CD2-CD2 3.65Å; A457-L488 HydrophobicContact CB-CD2 3.57Å; A457-L488 HydrophobicContact CB-CG 3.93Å; F484-L488 HydrophobicContact CD1-CD1 3.91Å; F484-L488 HydrophobicContact CD1-CG 4.46Å; F484-L488 HydrophobicContact CD2-CG 4.37Å; F484-L488 HydrophobicContact CE1-CD1 3.51Å; F484-L488 HydrophobicContact CE1-CG 4.11Å; F484-L488 HydrophobicContact CE2-CD1 4.3Å; F484-L488 HydrophobicContact CE2-CD2 4.18Å; F484-L488 HydrophobicContact CE2-CG 3.97Å; F484-L488 HydrophobicContact CG-CD1 4.47Å; F484-L488 HydrophobicContact CZ-CD1 3.73Å; F484-L488 HydrophobicContact CZ-CD2 3.95Å; F484-L488 HydrophobicContact CZ-CG 3.84Å; F484-L488 WeakPolarHBondContact O-CB 3.46Å; F484-L488 WeakPolarHBondContact O-CG 3.37Å; F484-L488 PolarHBondContact O-N 2.94Å; L488-V490 VanDerWaalsContact C-N 3.27Å; L488-V490 PolarHBondContact O-N 2.91Å; L488-C491 PolarHBondContact O-N 3.48Å; L488-Y492 HydrophobicContact CB-CD2 4.34Å; L488-Y492 HydrophobicContact CB-CE2 4.49Å; L488-Y492 HydrophobicContact CD2-CE2 4.33Å; L488-Y492 WeakPolarHBondContact O-CB 3.24Å; L488-Y492 VanDerWaalsContact O-CD2 3.29Å; L488-Y492 WeakPolarHBondContact O-CD2 3.42Å; L488-Y492 PolarHBondContact O-N 2.94Å
489N85.4Confident77.8Confident98 Ų9869.2 Ų69.252%0.52437%0.368SS..Hα-helixtrans-63.5-30.9177.8-169.994.3000112.9S485 S486 A487 A493S485-N489 WeakPolarHBondContact O-CB 3.37Å; S485-N489 PolarHBondContact O-N 2.86Å; S486-N489 PolarHBondContact O-N 3.41Å; A487-N489 VanDerWaalsContact C-N 3.29Å; A487-N489 PolarHBondContact O-N 3.01Å; N489-A493 WeakPolarHBondContact O-CB 3.46Å; N489-A493 PolarHBondContact O-N 3.25Å
490V85.1Confident78.4Confident6 Ų666 Ų664%0.03636%0.358CS..Hα-helixtrans-69.7-50.2171.4178.30000110F482 S486 A487 L488 Y492 A493 L494 I502 M514F482-V490 HydrophobicContact CE2-CG2 4.35Å; F482-V490 HydrophobicContact CZ-CG2 4.19Å; S486-V490 WeakPolarHBondContact O-CG2 3.43Å; S486-V490 PolarHBondContact O-N 2.62Å; A487-V490 WeakPolarHBondContact O-CB 3.39Å; A487-V490 PolarHBondContact O-N 2.95Å; L488-V490 VanDerWaalsContact C-N 3.27Å; L488-V490 PolarHBondContact O-N 2.91Å; V490-Y492 PolarHBondContact O-N 3.23Å; V490-A493 PolarHBondContact O-N 2.92Å; V490-L494 HydrophobicContact CG1-CD1 3.9Å; V490-L494 WeakPolarHBondContact O-CG 3.31Å; V490-L494 PolarHBondContact O-N 2.75Å; V490-I502 HydrophobicContact CG1-CG2 4.2Å; V490-I502 HydrophobicContact CG2-CG2 3.84Å; V490-M514 HydrophobicContact CG1-CG 4.41Å; V490-M514 HydrophobicContact CG1-SD 4.36Å
491C88.7Confident78.7Confident0 Ų063.2 Ų63.20%037%0.366CS..Hα-helixtrans-63.1-42.3-176.8-64.40000112.8L453 A487 L488 L495 W517L453-C491 HydrophobicContact CD1-CB 4.27Å; L453-C491 HydrophobicContact CD2-CB 4.4Å; L453-C491 HydrophobicContact CG-CB 3.87Å; A487-C491 PolarHBondContact O-N 3.03Å; A487-C491 PolarHBondContact O-SG 3.19Å; L488-C491 PolarHBondContact O-N 3.48Å; C491-L495 WeakPolarHBondContact O-CB 3.34Å; C491-L495 PolarHBondContact O-N 2.9Å; C491-W517 HydrophobicContact CB-CZ2 4.47Å; C491-W517 PolarHBondContact O-NE1 3.11Å; C491-W517 VanDerWaalsContact O-NE1 3.17Å
492Y89.1Confident79.1Confident75 Ų7561.8 Ų61.829%0.29436%0.355SS..Hα-helixtrans-67.5-39.4174.1-81.8-63.7000112.7L453 H454 L488 V490 L494 L495 F496L453-Y492 HydrophobicContact CD1-CD1 3.44Å; L453-Y492 VanDerWaalsContact CD1-CD1 3.44Å; L453-Y492 HydrophobicContact CD1-CD2 4.31Å; L453-Y492 HydrophobicContact CD1-CE1 3.56Å; L453-Y492 HydrophobicContact CD1-CE2 4.4Å; L453-Y492 HydrophobicContact CD1-CG 3.85Å; L453-Y492 HydrophobicContact CD2-CD1 4.37Å; L453-Y492 HydrophobicContact CD2-CD2 3.98Å; L453-Y492 HydrophobicContact CD2-CE1 4.01Å; L453-Y492 HydrophobicContact CD2-CE2 3.58Å; L453-Y492 HydrophobicContact CD2-CG 4.35Å; L453-Y492 HydrophobicContact CG-CE1 4.47Å; H454-Y492 PolarHBondContact CE1-OH 3.36Å; L488-Y492 HydrophobicContact CB-CD2 4.34Å; L488-Y492 HydrophobicContact CB-CE2 4.49Å; L488-Y492 HydrophobicContact CD2-CE2 4.33Å; L488-Y492 WeakPolarHBondContact O-CB 3.24Å; L488-Y492 VanDerWaalsContact O-CD2 3.29Å; L488-Y492 WeakPolarHBondContact O-CD2 3.42Å; L488-Y492 PolarHBondContact O-N 2.94Å; V490-Y492 PolarHBondContact O-N 3.23Å; Y492-L494 VanDerWaalsContact C-N 3.33Å; Y492-L494 PolarHBondContact O-N 3.48Å; Y492-L495 PolarHBondContact O-N 2.98Å; Y492-F496 HydrophobicContact CD1-CD2 4.34Å; Y492-F496 AromaticContact CD1-CE2 3.7Å; Y492-F496 HydrophobicContact CD1-CE2 3.7Å; Y492-F496 HydrophobicContact CE1-CE2 4.42Å; Y492-F496 VanDerWaalsContact O-CD2 3.24Å; Y492-F496 WeakPolarHBondContact O-CD2 3.3Å; Y492-F496 PolarHBondContact O-N 3.01Å
493A87.2Confident79.2Confident9 Ų967.7 Ų67.77%0.07438%0.38CS..Hα-helixtrans-65.4-38.2177.800000111.9N489 V490 G497 R498 A500 I502N489-A493 WeakPolarHBondContact O-CB 3.46Å; N489-A493 PolarHBondContact O-N 3.25Å; V490-A493 PolarHBondContact O-N 2.92Å; A493-G497 PolarHBondContact O-N 2.96Å; A493-G497 VanDerWaalsContact O-N 3.13Å; A493-R498 PolarHBondContact O-N 3.29Å; A493-A500 HydrophobicContact CB-CB 4.35Å; A493-I502 HydrophobicContact CB-CD1 3.82Å; A493-I502 HydrophobicContact CB-CG1 4.39Å
494L88.1Confident79.1Confident52 Ų5268.6 Ų68.627%0.27239%0.385SS..Hα-helixtrans-67.7-40.9173-70.2170.3000112.4V490 Y492 F496 G497 M514 A518V490-L494 HydrophobicContact CG1-CD1 3.9Å; V490-L494 WeakPolarHBondContact O-CG 3.31Å; V490-L494 PolarHBondContact O-N 2.75Å; Y492-L494 VanDerWaalsContact C-N 3.33Å; Y492-L494 PolarHBondContact O-N 3.48Å; L494-F496 PolarHBondContact O-N 3.3Å; L494-G497 PolarHBondContact O-N 3.26Å; L494-M514 HydrophobicContact CD1-CG 3.74Å; L494-A518 HydrophobicContact CD2-CB 4.37Å
495L88.3Confident78.7Confident31 Ų3165.1 Ų65.116%0.16237%0.37CS..Hα-helixtrans-64.8-38.4177.6-176.963.9000112.7I449 L453 C491 Y492 C521I449-L495 HydrophobicContact CG2-CD1 4.1Å; I449-L495 HydrophobicContact CG2-CD2 3.8Å; L453-L495 HydrophobicContact CD1-CB 4.48Å; L453-L495 HydrophobicContact CD1-CD2 3.78Å; C491-L495 WeakPolarHBondContact O-CB 3.34Å; C491-L495 PolarHBondContact O-N 2.9Å; Y492-L495 PolarHBondContact O-N 2.98Å; L495-C521 HydrophobicContact CD1-CB 4.37Å
496F85.9Confident78.4Confident138 Ų13867.3 Ų67.361%0.60537%0.371SS*.THydrogen-bonded Turntrans-94.713.1179.1-63.8-56.9000114.2Y492 L494 R498Y492-F496 HydrophobicContact CD1-CD2 4.34Å; Y492-F496 AromaticContact CD1-CE2 3.7Å; Y492-F496 HydrophobicContact CD1-CE2 3.7Å; Y492-F496 HydrophobicContact CE1-CE2 4.42Å; Y492-F496 VanDerWaalsContact O-CD2 3.24Å; Y492-F496 WeakPolarHBondContact O-CD2 3.3Å; Y492-F496 PolarHBondContact O-N 3.01Å; L494-F496 PolarHBondContact O-N 3.3Å; F496-R498 HydrophobicContact CB-CG 4.32Å; F496-R498 PolarHBondContact O-N 3.13Å
497G79.8Confident78.5Confident60 Ų6065.5 Ų65.562%0.61936%0.359SS*.THydrogen-bonded Turntrans59.818.917800000115.6A493 L494A493-G497 PolarHBondContact O-N 2.96Å; A493-G497 VanDerWaalsContact O-N 3.13Å; L494-G497 PolarHBondContact O-N 3.26Å
498R78.1Confident78.4Confident186 Ų18675.7 Ų75.770%0.70240%0.397SS*.  trans-84.9122.7-173.1-72.5-170.9174.8-167.3-1.7111.9A493 F496 A500A493-R498 PolarHBondContact O-N 3.29Å; F496-R498 HydrophobicContact CB-CG 4.32Å; F496-R498 PolarHBondContact O-N 3.13Å; R498-A500 PolarHBondContact O-N 2.91Å
499T61.3Low78.4Confident149 Ų14978.1 Ų78.191%0.91441%0.414SS*.  trans-72.246.7172.147.70000113.4
500A62Low78.4Confident48 Ų4873.5 Ų73.540%0.39739%0.389SS..  trans-63155.2172.800000111.3A493 R498 I502A493-A500 HydrophobicContact CB-CB 4.35Å; R498-A500 PolarHBondContact O-N 2.91Å; A500-I502 HydrophobicContact CB-CG1 4.34Å; A500-I502 WeakPolarHBondContact O-CG1 3.16Å; A500-I502 PolarHBondContact O-N 2.9Å
501A59.3Low78.4Confident107 Ų10778.6 Ų78.688%0.88441%0.407SS*.  trans-70.968.4176.500000112.2
502I68.1Low78.5Confident52 Ų5285.6 Ų85.627%0.26744%0.438SS..  trans-70.6138.2-177.5-70.3160.6000110.1V490 A493 A500 P504V490-I502 HydrophobicContact CG1-CG2 4.2Å; V490-I502 HydrophobicContact CG2-CG2 3.84Å; A493-I502 HydrophobicContact CB-CD1 3.82Å; A493-I502 HydrophobicContact CB-CG1 4.39Å; A500-I502 HydrophobicContact CB-CG1 4.34Å; A500-I502 WeakPolarHBondContact O-CG1 3.16Å; A500-I502 PolarHBondContact O-N 2.9Å; I502-P504 WeakPolarHBondContact O-CD 3.49Å
503K69.8Low78.6Confident148 Ų14883.5 Ų83.564%0.64343%0.431SS*.  trans-88.7110.9164.2-61.7-174.9-171.284.50107.2
504P70.9Confident78.6Confident75 Ų7584.7 Ų84.749%0.48744%0.436SS..  trans-67.6148.9179.528.7-35000110.2I502I502-P504 WeakPolarHBondContact O-CD 3.49Å
505P74.1Confident78.6Confident3 Ų386.6 Ų86.62%0.01945%0.447CS..  trans-62.4144.1-179.823.8-31.6000111.7E464 G510 R511 M514E464-P505 HydrophobicContact CG-CB 4.44Å; E464-P505 WeakPolarHBondContact OE1-CA 3.16Å; E464-P505 WeakPolarHBondContact OE1-CB 3.48Å; P505-G510 WeakPolarHBondContact CG-O 3.46Å; P505-R511 HydrophobicContact CG-CG 4.01Å; P505-R511 WeakPolarHBondContact O-CG 3.43Å; P505-R511 PolarHBondContact O-NE 2.96Å; P505-M514 WeakPolarHBondContact CD-SD 3.48Å; P505-M514 HydrophobicContact CG-CB 4.28Å; P505-M514 HydrophobicContact CG-SD 4.06Å
506K74.2Confident78.8Confident110 Ų11089.6 Ų89.648%0.47846%0.462SS..SBendtrans-79.5-33-177.9-65-178.8-171.1167.30113.5F469 G470F469-K506 VanDerWaalsContact O-CD 3.22Å; F469-K506 WeakPolarHBondContact O-CD 3.28Å; G470-K506 PolarHBondContact O-NZ 3.42Å
507C80.9Confident79.1Confident1 Ų183.3 Ų83.31%0.00744%0.435CS..SBendtrans-80.6141.5-178.156.70000111.2S467 T509 G510 R511S467-C507 WeakPolarHBondContact OG-CB 3.04Å; C507-T509 VanDerWaalsContact C-N 3.3Å; C507-T509 PolarHBondContact O-N 3.19Å; C507-G510 PolarHBondContact O-N 3.27Å; C507-G510 PolarHBondContact SG-N 3.05Å; C507-G510 VanDerWaalsContact SG-N 3.36Å; C507-R511 PolarHBondContact O-N 2.98Å
508W82.4Confident79.6Confident213 Ų21381.9 Ų81.981%0.80742%0.417SS*.Hα-helixtrans-59.3-39.6177.5-88.181.8000112.5G510 R511 F512W508-G510 PolarHBondContact O-N 2.98Å; W508-R511 PolarHBondContact O-N 3.11Å; W508-F512 PolarHBondContact O-N 3.47Å
509T87.2Confident80.3Confident80 Ų8079 Ų7949%0.49141%0.414SS..Hα-helixtrans-62.3-41.3174.848.50000112.6C507 F512 L513C507-T509 VanDerWaalsContact C-N 3.3Å; C507-T509 PolarHBondContact O-N 3.19Å; T509-F512 PolarHBondContact O-N 3.15Å; T509-L513 WeakPolarHBondContact O-CB 3.43Å; T509-L513 PolarHBondContact O-N 2.79Å
510G85.3Confident81.7Confident0 Ų075.5 Ų75.50%039%0.386CS..Hα-helixtrans-66.7-36.4174.400000112.9L460 P505 C507 W508 M514L460-G510 WeakPolarHBondContact CD2-O 3.43Å; P505-G510 WeakPolarHBondContact CG-O 3.46Å; C507-G510 PolarHBondContact O-N 3.27Å; C507-G510 PolarHBondContact SG-N 3.05Å; C507-G510 VanDerWaalsContact SG-N 3.36Å; W508-G510 PolarHBondContact O-N 2.98Å; G510-M514 VanDerWaalsContact O-CB 3.26Å; G510-M514 WeakPolarHBondContact O-CB 3.46Å; G510-M514 PolarHBondContact O-N 3.29Å
511R86.5Confident83.1Confident114 Ų11473.4 Ų73.443%0.4337%0.369SS..Hα-helixtrans-66-42.8173.2-70177.6177.5-164.4-6112P505 C507 W508 M514 N515P505-R511 HydrophobicContact CG-CG 4.01Å; P505-R511 WeakPolarHBondContact O-CG 3.43Å; P505-R511 PolarHBondContact O-NE 2.96Å; C507-R511 PolarHBondContact O-N 2.98Å; W508-R511 PolarHBondContact O-N 3.11Å; R511-M514 PolarHBondContact O-N 3.02Å; R511-N515 VanDerWaalsContact O-CG 3.3Å; R511-N515 PolarHBondContact O-N 2.64Å; R511-N515 PolarHBondContact O-OD1 2.87Å
512F89.9Confident84.6Confident147 Ų14774.5 Ų74.565%0.64536%0.357SS*.Hα-helixtrans-62.2-47.6175.1-177.7-100.2000111.7W508 T509 M514 N515 L516W508-F512 PolarHBondContact O-N 3.47Å; T509-F512 PolarHBondContact O-N 3.15Å; F512-M514 VanDerWaalsContact C-N 3.32Å; F512-M514 PolarHBondContact O-N 3.46Å; F512-N515 PolarHBondContact O-N 3.07Å; F512-L516 HydrophobicContact CE1-CD1 4.23Å; F512-L516 PolarHBondContact O-N 3.14Å
513L90.6Very high85.8Confident30 Ų3078.7 Ų78.716%0.15737%0.374CS..Hα-helixtrans-61.6-38.7175.4179.360000112.3T456 F459 L460 Y463 T509 L516 W517T456-L513 HydrophobicContact CG2-CD1 4.32Å; T456-L513 HydrophobicContact CG2-CD2 4.35Å; T456-L513 HydrophobicContact CG2-CG 4.19Å; F459-L513 HydrophobicContact CB-CD2 3.78Å; L460-L513 HydrophobicContact CD2-CB 4.17Å; L460-L513 HydrophobicContact CD2-CD2 3.89Å; L460-L513 HydrophobicContact CD2-CG 4.1Å; L460-L513 HydrophobicContact CG-CD2 3.88Å; L460-L513 HydrophobicContact CG-CG 4.35Å; Y463-L513 HydrophobicContact CD2-CD2 3.99Å; Y463-L513 HydrophobicContact CE2-CD2 3.76Å; T509-L513 WeakPolarHBondContact O-CB 3.43Å; T509-L513 PolarHBondContact O-N 2.79Å; L513-L516 PolarHBondContact O-N 2.72Å; L513-W517 WeakPolarHBondContact O-CB 3.35Å; L513-W517 PolarHBondContact O-N 2.93Å
514M87.5Confident86.8Confident34 Ų3472.6 Ų72.617%0.16735%0.349CS..Hα-helixtrans-63.4-41.7175.3-175.2-170.474.400112.1V490 L494 P505 G510 R511 F512 W517 A518V490-M514 HydrophobicContact CG1-CG 4.41Å; V490-M514 HydrophobicContact CG1-SD 4.36Å; L494-M514 HydrophobicContact CD1-CG 3.74Å; P505-M514 WeakPolarHBondContact CD-SD 3.48Å; P505-M514 HydrophobicContact CG-CB 4.28Å; P505-M514 HydrophobicContact CG-SD 4.06Å; G510-M514 VanDerWaalsContact O-CB 3.26Å; G510-M514 WeakPolarHBondContact O-CB 3.46Å; G510-M514 PolarHBondContact O-N 3.29Å; R511-M514 PolarHBondContact O-N 3.02Å; F512-M514 VanDerWaalsContact C-N 3.32Å; F512-M514 PolarHBondContact O-N 3.46Å; M514-W517 PolarHBondContact O-N 3.24Å; M514-A518 WeakPolarHBondContact O-CB 3.49Å; M514-A518 PolarHBondContact O-N 3.05Å
515N89.3Confident87.7Confident93 Ų9373 Ų7350%0.49735%0.347SS..Hα-helixtrans-67.6-41.4176.8-69.41.1000111.6R511 F512 A518 I519R511-N515 VanDerWaalsContact O-CG 3.3Å; R511-N515 PolarHBondContact O-N 2.64Å; R511-N515 PolarHBondContact O-OD1 2.87Å; F512-N515 PolarHBondContact O-N 3.07Å; N515-A518 WeakPolarHBondContact O-CB 3.49Å; N515-A518 PolarHBondContact O-N 3.36Å; N515-I519 WeakPolarHBondContact O-CG1 3.37Å; N515-I519 PolarHBondContact O-N 2.82Å
516L92.2Very high88.4Confident93 Ų9376.2 Ų76.249%0.48737%0.369SS..Hα-helixtrans-62.8-43.1175-167.7159000111.1F512 L513 A518 I519 F520F512-L516 HydrophobicContact CE1-CD1 4.23Å; F512-L516 PolarHBondContact O-N 3.14Å; L513-L516 PolarHBondContact O-N 2.72Å; L516-A518 VanDerWaalsContact C-N 3.33Å; L516-A518 PolarHBondContact O-N 2.85Å; L516-I519 PolarHBondContact O-N 3.48Å; L516-F520 PolarHBondContact O-N 3.37Å
517W92Very high89.3Confident7 Ų773 Ų733%0.02736%0.359CS..Hα-helixtrans-61.1-39.2172.9180-104.8000112.5A452 L453 T456 C491 L513 M514 F520 C521A452-W517 HydrophobicContact CB-CH2 4.41Å; A452-W517 HydrophobicContact CB-CZ3 4.09Å; L453-W517 VanDerWaalsContact CA-CH2 3.45Å; L453-W517 HydrophobicContact CB-CH2 3.72Å; L453-W517 HydrophobicContact CB-CZ2 3.83Å; L453-W517 HydrophobicContact CD1-CZ2 4.08Å; L453-W517 HydrophobicContact CG-CH2 4.43Å; L453-W517 HydrophobicContact CG-CZ2 4.03Å; T456-W517 HydrophobicContact CG2-CB 4.06Å; T456-W517 HydrophobicContact CG2-CD2 3.95Å; T456-W517 HydrophobicContact CG2-CE3 4Å; T456-W517 HydrophobicContact CG2-CG 3.97Å; C491-W517 HydrophobicContact CB-CZ2 4.47Å; C491-W517 PolarHBondContact O-NE1 3.11Å; C491-W517 VanDerWaalsContact O-NE1 3.17Å; L513-W517 WeakPolarHBondContact O-CB 3.35Å; L513-W517 PolarHBondContact O-N 2.93Å; M514-W517 PolarHBondContact O-N 3.24Å; W517-F520 AromaticContact CE3-CD1 3.83Å; W517-F520 HydrophobicContact CE3-CD1 3.83Å; W517-F520 HydrophobicContact CE3-CE1 4.44Å; W517-F520 AromaticContact CH2-CD1 3.97Å; W517-F520 HydrophobicContact CH2-CD1 3.97Å; W517-F520 AromaticContact CH2-CE1 3.91Å; W517-F520 HydrophobicContact CH2-CE1 3.91Å; W517-F520 AromaticContact CZ3-CD1 3.48Å; W517-F520 HydrophobicContact CZ3-CD1 3.48Å; W517-F520 VanDerWaalsContact CZ3-CD1 3.48Å; W517-F520 AromaticContact CZ3-CE1 3.64Å; W517-F520 HydrophobicContact CZ3-CE1 3.64Å; W517-F520 PolarHBondContact O-N 3.14Å; W517-C521 PolarHBondContact NE1-SG 3.35Å; W517-C521 WeakPolarHBondContact O-CB 3.21Å; W517-C521 PolarHBondContact O-N 3.3Å; W517-C521 PolarHBondContact O-SG 3.19Å
518A90.1Very high89.8Confident30 Ų3075.3 Ų75.325%0.24837%0.368CS..Hα-helixtrans-64.6-40.8175.900000112.3L494 M514 N515 L516 C521 M522L494-A518 HydrophobicContact CD2-CB 4.37Å; M514-A518 WeakPolarHBondContact O-CB 3.49Å; M514-A518 PolarHBondContact O-N 3.05Å; N515-A518 WeakPolarHBondContact O-CB 3.49Å; N515-A518 PolarHBondContact O-N 3.36Å; L516-A518 VanDerWaalsContact C-N 3.33Å; L516-A518 PolarHBondContact O-N 2.85Å; A518-C521 PolarHBondContact O-N 3.45Å; A518-M522 WeakPolarHBondContact O-CG 3.49Å; A518-M522 PolarHBondContact O-N 2.89Å
519I91.9Very high90.2Very high125 Ų12568.8 Ų68.864%0.64135%0.352SS*.Hα-helixtrans-62.3-44.9173.9-65.9165.3000110.6N515 L516 C521 M522 F523N515-I519 WeakPolarHBondContact O-CG1 3.37Å; N515-I519 PolarHBondContact O-N 2.82Å; L516-I519 PolarHBondContact O-N 3.48Å; I519-C521 PolarHBondContact O-N 2.99Å; I519-M522 PolarHBondContact O-N 3.02Å; I519-F523 PolarHBondContact O-N 3.42Å
520F92.6Very high90.3Very high76 Ų7667.6 Ų67.633%0.33335%0.35SS..Hα-helixtrans-61-41.5175.2175.2-100.9000112.6L516 W517 F523 C524L516-F520 PolarHBondContact O-N 3.37Å; W517-F520 AromaticContact CE3-CD1 3.83Å; W517-F520 HydrophobicContact CE3-CD1 3.83Å; W517-F520 HydrophobicContact CE3-CE1 4.44Å; W517-F520 AromaticContact CH2-CD1 3.97Å; W517-F520 HydrophobicContact CH2-CD1 3.97Å; W517-F520 AromaticContact CH2-CE1 3.91Å; W517-F520 HydrophobicContact CH2-CE1 3.91Å; W517-F520 AromaticContact CZ3-CD1 3.48Å; W517-F520 HydrophobicContact CZ3-CD1 3.48Å; W517-F520 VanDerWaalsContact CZ3-CD1 3.48Å; W517-F520 AromaticContact CZ3-CE1 3.64Å; W517-F520 HydrophobicContact CZ3-CE1 3.64Å; W517-F520 PolarHBondContact O-N 3.14Å; F520-F523 PolarHBondContact O-N 2.94Å; F520-C524 WeakPolarHBondContact CZ-SG 3.42Å; F520-C524 PolarHBondContact O-N 3.01Å; F520-C524 PolarHBondContact O-SG 3.39Å
521C91.3Very high90.5Very high4 Ų470.7 Ų70.73%0.02737%0.367CS..Hα-helixtrans-63.7-44.3175.2-680000112L495 W517 A518 I519 F523 C524 L525L495-C521 HydrophobicContact CD1-CB 4.37Å; W517-C521 PolarHBondContact NE1-SG 3.35Å; W517-C521 WeakPolarHBondContact O-CB 3.21Å; W517-C521 PolarHBondContact O-N 3.3Å; W517-C521 PolarHBondContact O-SG 3.19Å; A518-C521 PolarHBondContact O-N 3.45Å; I519-C521 PolarHBondContact O-N 2.99Å; C521-F523 VanDerWaalsContact C-N 3.34Å; C521-F523 PolarHBondContact O-N 3.45Å; C521-C524 PolarHBondContact O-N 3.38Å; C521-L525 VanDerWaalsContact O-CB 3.27Å; C521-L525 WeakPolarHBondContact O-CB 3.41Å; C521-L525 PolarHBondContact O-N 2.65Å
522M90.1Very high90.4Very high129 Ų12967.1 Ų67.164%0.63536%0.356SS*.Hα-helixtrans-61.5-41176.2-74.7-64.8-65.100112A518 I519 S526A518-M522 WeakPolarHBondContact O-CG 3.49Å; A518-M522 PolarHBondContact O-N 2.89Å; I519-M522 PolarHBondContact O-N 3.02Å; M522-S526 VanDerWaalsContact O-CB 3.24Å; M522-S526 WeakPolarHBondContact O-CB 3.46Å; M522-S526 PolarHBondContact O-N 2.89Å
523F92.3Very high90Very high141 Ų14162.6 Ų62.662%0.61835%0.346SS*.Hα-helixtrans-62.5-51.5174.3-176.9-95.9000111.4I519 F520 C521 L525 S526 T527I519-F523 PolarHBondContact O-N 3.42Å; F520-F523 PolarHBondContact O-N 2.94Å; C521-F523 VanDerWaalsContact C-N 3.34Å; C521-F523 PolarHBondContact O-N 3.45Å; F523-L525 VanDerWaalsContact C-N 3.32Å; F523-L525 PolarHBondContact O-N 3.45Å; F523-S526 PolarHBondContact O-N 2.82Å; F523-T527 PolarHBondContact O-N 3.49Å; F523-T527 PolarHBondContact O-OG1 3.09Å; F523-T527 VanDerWaalsContact O-OG1 3.09Å
524C91.1Very high89.5Confident20 Ų2064.4 Ų64.414%0.13537%0.365CS..Hα-helixtrans-59.8-41.1178.8-65.60000112.6I449 F520 C521 Y528I449-C524 HydrophobicContact CD1-CB 4.49Å; F520-C524 WeakPolarHBondContact CZ-SG 3.42Å; F520-C524 PolarHBondContact O-N 3.01Å; F520-C524 PolarHBondContact O-SG 3.39Å; C521-C524 PolarHBondContact O-N 3.38Å; C524-Y528 VanDerWaalsContact O-CB 3.31Å; C524-Y528 WeakPolarHBondContact O-CB 3.47Å; C524-Y528 PolarHBondContact O-N 2.87Å
525L89.6Confident88.9Confident82 Ų8266.1 Ų66.143%0.42938%0.377SS..Hα-helixtrans-64.6-46.2176.3-179.961.7000111.1C521 F523 Y528 T529C521-L525 VanDerWaalsContact O-CB 3.27Å; C521-L525 WeakPolarHBondContact O-CB 3.41Å; C521-L525 PolarHBondContact O-N 2.65Å; F523-L525 VanDerWaalsContact C-N 3.32Å; F523-L525 PolarHBondContact O-N 3.45Å; L525-Y528 PolarHBondContact O-N 3.12Å; L525-T529 HydrophobicContact CD1-CG2 4.49Å; L525-T529 WeakPolarHBondContact O-CG2 3.27Å; L525-T529 PolarHBondContact O-N 3.27Å; L525-T529 PolarHBondContact O-OG1 3.21Å; L525-T529 VanDerWaalsContact O-OG1 3.12Å
526S90.6Very high88.1Confident71 Ų7164.7 Ų64.750%0.49737%0.368SS..Hα-helixtrans-60.4-49.2177.5-179.30000111.7M522 F523 Y528 T529 A530M522-S526 VanDerWaalsContact O-CB 3.24Å; M522-S526 WeakPolarHBondContact O-CB 3.46Å; M522-S526 PolarHBondContact O-N 2.89Å; F523-S526 PolarHBondContact O-N 2.82Å; S526-Y528 PolarHBondContact O-N 3.41Å; S526-T529 WeakPolarHBondContact CA-OG1 3.34Å; S526-T529 PolarHBondContact O-N 3.31Å; S526-T529 PolarHBondContact O-OG1 2.62Å; S526-A530 WeakPolarHBondContact O-CB 3.34Å; S526-A530 PolarHBondContact O-N 3.47Å
527T92.2Very high87Confident43 Ų4366.1 Ų66.126%0.26438%0.381SS..Hα-helixtrans-60.7-42.2175.6-53.40000111.9F523 A530 N531F523-T527 PolarHBondContact O-N 3.49Å; F523-T527 PolarHBondContact O-OG1 3.09Å; F523-T527 VanDerWaalsContact O-OG1 3.09Å; T527-A530 PolarHBondContact O-N 2.91Å; T527-N531 WeakPolarHBondContact O-CB 3.44Å; T527-N531 VanDerWaalsContact O-CG 3.28Å; T527-N531 PolarHBondContact O-N 2.88Å; T527-N531 PolarHBondContact O-OD1 3.3Å
528Y91.6Very high85.4Confident50 Ų5067.8 Ų67.820%0.19640%0.4CS..Hα-helixtrans-60.4-45.9174.6173.5-94.1000111.7F437 P440 L441 W446 C524 L525 S526 L532F437-Y528 PolarHBondContact O-OH 2.7Å; P440-Y528 HydrophobicContact CB-CD2 4.03Å; P440-Y528 HydrophobicContact CB-CE2 4.11Å; P440-Y528 HydrophobicContact CG-CE2 4.16Å; L441-Y528 HydrophobicContact CD1-CD2 3.99Å; L441-Y528 HydrophobicContact CG-CD2 4.22Å; W446-Y528 HydrophobicContact CH2-CD2 4.16Å; W446-Y528 AromaticContact CH2-CE2 3.94Å; W446-Y528 HydrophobicContact CH2-CE2 3.94Å; W446-Y528 HydrophobicContact CZ2-CD2 4.19Å; W446-Y528 AromaticContact CZ2-CE2 3.9Å; W446-Y528 HydrophobicContact CZ2-CE2 3.9Å; C524-Y528 VanDerWaalsContact O-CB 3.31Å; C524-Y528 WeakPolarHBondContact O-CB 3.47Å; C524-Y528 PolarHBondContact O-N 2.87Å; L525-Y528 PolarHBondContact O-N 3.12Å; S526-Y528 PolarHBondContact O-N 3.41Å; Y528-L532 HydrophobicContact CE1-CD2 3.98Å; Y528-L532 WeakPolarHBondContact O-CB 3.38Å; Y528-L532 PolarHBondContact O-N 3.48Å
529T90.4Very high83.6Confident75 Ų7571.4 Ų71.446%0.4641%0.412SS..Hα-helixtrans-65.9-37.9178.250.10000113.1L525 S526 A533L525-T529 HydrophobicContact CD1-CG2 4.49Å; L525-T529 WeakPolarHBondContact O-CG2 3.27Å; L525-T529 PolarHBondContact O-N 3.27Å; L525-T529 PolarHBondContact O-OG1 3.21Å; L525-T529 VanDerWaalsContact O-OG1 3.12Å; S526-T529 WeakPolarHBondContact CA-OG1 3.34Å; S526-T529 PolarHBondContact O-N 3.31Å; S526-T529 PolarHBondContact O-OG1 2.62Å; T529-A533 WeakPolarHBondContact O-CB 3.48Å; T529-A533 PolarHBondContact O-N 2.04Å
530A90.1Very high81.6Confident55 Ų5572.2 Ų72.246%0.45541%0.411SS..Hα-helixtrans-68.2-46.3177.100000111.8S526 T527 L532 A533 A534S526-A530 WeakPolarHBondContact O-CB 3.34Å; S526-A530 PolarHBondContact O-N 3.47Å; T527-A530 PolarHBondContact O-N 2.91Å; A530-L532 VanDerWaalsContact C-N 3.34Å; A530-L532 PolarHBondContact O-N 2.76Å; A530-A533 PolarHBondContact O-N 3.08Å; A530-A534 WeakPolarHBondContact O-CB 3.36Å; A530-A534 PolarHBondContact O-N 2.95Å
531N89.6Confident79.8Confident66 Ų6674 Ų7435%0.35342%0.422SS..Hα-helixtrans-65.3-37.8176.3-70.95.4000111.7P440 T527 A534 V535P440-N531 HydrophobicContact CB-CB 3.77Å; P440-N531 WeakPolarHBondContact O-CB 3.39Å; P440-N531 PolarHBondContact O-ND2 2.92Å; T527-N531 WeakPolarHBondContact O-CB 3.44Å; T527-N531 VanDerWaalsContact O-CG 3.28Å; T527-N531 PolarHBondContact O-N 2.88Å; T527-N531 PolarHBondContact O-OD1 3.3Å; N531-A534 PolarHBondContact O-N 3.15Å; N531-V535 WeakPolarHBondContact O-CB 3.38Å; N531-V535 VanDerWaalsContact O-CG2 3.29Å; N531-V535 WeakPolarHBondContact O-CG2 3.2Å; N531-V535 PolarHBondContact O-N 2.81Å
532L83.8Confident77.9Confident39 Ų3980.3 Ų80.320%0.20445%0.446CS..Hα-helixtrans-64.2-44.9175.5179.764000111.2P440 Y528 A530 V535 M536P440-L532 HydrophobicContact CB-CB 4.3Å; P440-L532 HydrophobicContact CG-CB 3.82Å; P440-L532 HydrophobicContact CG-CD1 3.75Å; P440-L532 HydrophobicContact CG-CG 4.39Å; Y528-L532 HydrophobicContact CE1-CD2 3.98Å; Y528-L532 WeakPolarHBondContact O-CB 3.38Å; Y528-L532 PolarHBondContact O-N 3.48Å; A530-L532 VanDerWaalsContact C-N 3.34Å; A530-L532 PolarHBondContact O-N 2.76Å; L532-V535 PolarHBondContact O-N 2.83Å; L532-M536 HydrophobicContact CD1-CE 4Å; L532-M536 HydrophobicContact CD1-CG 4.22Å; L532-M536 HydrophobicContact CD1-SD 3.98Å; L532-M536 HydrophobicContact CD2-SD 4.5Å; L532-M536 HydrophobicContact CG-CE 4.41Å; L532-M536 HydrophobicContact CG-SD 3.9Å; L532-M536 WeakPolarHBondContact O-CB 3.37Å; L532-M536 WeakPolarHBondContact O-CG 3.45Å; L532-M536 PolarHBondContact O-N 2.71Å
533A80.7Confident76.3Confident52 Ų5279.8 Ų79.843%0.4344%0.443SS..Hα-helixtrans-60.9-45.9174.900000111.7T529 A530 V535 M536 V537T529-A533 WeakPolarHBondContact O-CB 3.48Å; T529-A533 PolarHBondContact O-N 2.04Å; A530-A533 PolarHBondContact O-N 3.08Å; A533-V535 VanDerWaalsContact C-N 3.33Å; A533-V535 PolarHBondContact O-N 2.97Å; A533-M536 PolarHBondContact O-N 2.79Å; A533-V537 WeakPolarHBondContact O-CB 3.24Å; A533-V537 WeakPolarHBondContact O-CG2 3.39Å; A533-V537 PolarHBondContact O-N 2.97Å
534A81.5Confident75Confident68 Ų6875.6 Ų75.656%0.56243%0.425SS*.Hα-helixtrans-62.1-37.6177.400000113.1A530 N531 G538A530-A534 WeakPolarHBondContact O-CB 3.36Å; A530-A534 PolarHBondContact O-N 2.95Å; N531-A534 PolarHBondContact O-N 3.15Å; A534-G538 PolarHBondContact O-N 3.2Å; A534-G538 VanDerWaalsContact O-N 3.12Å
535V75.3Confident74.3Confident69 Ų6974.7 Ų74.742%0.41842%0.419SS..Hα-helixtrans-74.2-31.8175.4170.90000112.2W439 N531 L532 A533 G538W439-V535 HydrophobicContact CE3-CG1 4.36Å; N531-V535 WeakPolarHBondContact O-CB 3.38Å; N531-V535 VanDerWaalsContact O-CG2 3.29Å; N531-V535 WeakPolarHBondContact O-CG2 3.2Å; N531-V535 PolarHBondContact O-N 2.81Å; L532-V535 PolarHBondContact O-N 2.83Å; A533-V535 VanDerWaalsContact C-N 3.33Å; A533-V535 PolarHBondContact O-N 2.97Å; V535-G538 PolarHBondContact O-N 2.03Å
536M72.5Confident73.9Confident64 Ų6475.5 Ų75.532%0.31543%0.431SS..Hα-helixtrans-75.8-34.2176.7-79.4177.9154.100113.5L532 A533 G538 M694 F699L532-M536 HydrophobicContact CD1-CE 4Å; L532-M536 HydrophobicContact CD1-CG 4.22Å; L532-M536 HydrophobicContact CD1-SD 3.98Å; L532-M536 HydrophobicContact CD2-SD 4.5Å; L532-M536 HydrophobicContact CG-CE 4.41Å; L532-M536 HydrophobicContact CG-SD 3.9Å; L532-M536 WeakPolarHBondContact O-CB 3.37Å; L532-M536 WeakPolarHBondContact O-CG 3.45Å; L532-M536 PolarHBondContact O-N 2.71Å; A533-M536 PolarHBondContact O-N 2.79Å; M536-G538 VanDerWaalsContact C-N 3.27Å; M536-M694 HydrophobicContact CB-CE 4.19Å; M536-M694 HydrophobicContact CG-CE 4.49Å; M536-F699 HydrophobicContact CE-CE1 4.17Å; M536-F699 HydrophobicContact CE-CZ 4.34Å
537V68.4Low73.7Confident123 Ų12372.4 Ų72.475%0.74541%0.41SS*.Hα-helixtrans-75.1-20.8170.9173.30000111.3A533 E539A533-V537 WeakPolarHBondContact O-CB 3.24Å; A533-V537 WeakPolarHBondContact O-CG2 3.39Å; A533-V537 PolarHBondContact O-N 2.97Å; V537-E539 PolarHBondContact O-N 3.02Å
538G57.2Low73.6Confident42 Ų4270.9 Ų70.943%0.43340%0.4SS..  trans-73.26117400000113.4A534 V535 M536 K540A534-G538 PolarHBondContact O-N 3.2Å; A534-G538 VanDerWaalsContact O-N 3.12Å; V535-G538 PolarHBondContact O-N 2.03Å; M536-G538 VanDerWaalsContact C-N 3.27Å; G538-K540 VanDerWaalsContact C-N 3.28Å; G538-K540 PolarHBondContact O-N 3.21Å
539E53.3Low73.5Confident105 Ų10575 Ų7549%0.49142%0.421SS..  trans-63.786.8171.7-73.9-177.7-159.600110.8V537 I541 L692V537-E539 PolarHBondContact O-N 3.02Å; E539-I541 VanDerWaalsContact C-N 3.29Å; E539-I541 PolarHBondContact O-N 3.47Å; E539-L692 WeakPolarHBondContact OE1-CB 3.42Å; E539-L692 VanDerWaalsContact OE1-CD1 3.29Å; E539-L692 WeakPolarHBondContact OE1-CD1 3.49Å; E539-L692 VanDerWaalsContact OE2-CD1 3.27Å; E539-L692 WeakPolarHBondContact OE2-CD1 3.34Å
540K50.5Low73.5Confident143 Ų14372.2 Ų72.262%0.62240%0.404SS*.  trans-73.688.4167.3-67.3-175.6-179.9-175.40108.8G538 Y542G538-K540 VanDerWaalsContact C-N 3.28Å; G538-K540 PolarHBondContact O-N 3.21Å; K540-Y542 VanDerWaalsContact C-N 3.29Å; K540-Y542 HydrophobicContact CB-CD1 4.48Å; K540-Y542 HydrophobicContact CB-CD2 4.13Å; K540-Y542 HydrophobicContact CB-CE1 4.15Å; K540-Y542 HydrophobicContact CB-CE2 3.75Å; K540-Y542 HydrophobicContact CB-CG 4.47Å; K540-Y542 HydrophobicContact CD-CE1 4.02Å; K540-Y542 WeakPolarHBondContact O-CD2 3.49Å; K540-Y542 WeakPolarHBondContact O-CE2 3.08Å; K540-Y542 PolarHBondContact O-N 3.37Å
541I54Low73.4Confident112 Ų11273.2 Ų73.257%0.57441%0.406SS*.  trans-56.9103.5148.2-58.3173.6000105.1T427 E539 E543T427-I541 HydrophobicContact CG2-CG2 3.86Å; E539-I541 VanDerWaalsContact C-N 3.29Å; E539-I541 PolarHBondContact O-N 3.47Å; I541-E543 PolarHBondContact O-N 3.29Å; I541-E543 VanDerWaalsContact O-N 3.12Å
542Y51.3Low73.3Confident137 Ų13772.9 Ų72.954%0.53740%0.401SS..  trans-76.2101.9179.1-73.1-83.5000108.3K540 E544K540-Y542 VanDerWaalsContact C-N 3.29Å; K540-Y542 HydrophobicContact CB-CD1 4.48Å; K540-Y542 HydrophobicContact CB-CD2 4.13Å; K540-Y542 HydrophobicContact CB-CE1 4.15Å; K540-Y542 HydrophobicContact CB-CE2 3.75Å; K540-Y542 HydrophobicContact CB-CG 4.47Å; K540-Y542 HydrophobicContact CD-CE1 4.02Å; K540-Y542 WeakPolarHBondContact O-CD2 3.49Å; K540-Y542 WeakPolarHBondContact O-CE2 3.08Å; K540-Y542 PolarHBondContact O-N 3.37Å; Y542-E544 PolarHBondContact O-N 2.84Å; Y542-E544 VanDerWaalsContact O-N 3.07Å
543E57Low73.5Confident119 Ų11971 Ų7156%0.55639%0.391SS*.  trans-54113.7162.5-65.3180-151.100107.9I541 L545 L630 V632I541-E543 PolarHBondContact O-N 3.29Å; I541-E543 VanDerWaalsContact O-N 3.12Å; E543-L545 PolarHBondContact O-N 2.66Å; E543-L630 HydrophobicContact CG-CD1 4.32Å; E543-V632 HydrophobicContact CB-CG1 4.12Å; E543-V632 HydrophobicContact CG-CG1 3.97Å
544E64.4Low73.9Confident52 Ų5271.6 Ų71.624%0.24339%0.385CS..SBendtrans-72-13.5-178.1-70.5-154.6-176.700112.8R428 Y542 K552R428-E544 WeakPolarHBondContact CD-OE1 3.27Å; R428-E544 IonicContact CZ-OE1 3.98Å; R428-E544 IonicContact NE-OE1 3.71Å; R428-E544 IonicContact NH1-OE1 3.75Å; R428-E544 PolarHBondContact NH1-OE1 2.67Å; R428-E544 IonicContact NH1-OE2 2.9Å; R428-E544 PolarHBondContact NH1-OE2 2.97Å; Y542-E544 PolarHBondContact O-N 2.84Å; Y542-E544 VanDerWaalsContact O-N 3.07Å; E544-K552 WeakPolarHBondContact O-CD 3.39Å; E544-K552 WeakPolarHBondContact O-CE 3.42Å; E544-K552 PolarHBondContact O-NZ 3.12Å
545L76.5Confident74.1Confident1 Ų173.3 Ų73.31%0.00538%0.381CS..  trans-136.7137.5-179.5-67.6171.4000110.5I423 V425 E543 G547 D550 K552 L553 F560 A609 V632I423-L545 HydrophobicContact CG2-CD1 3.82Å; V425-L545 HydrophobicContact CG1-CD1 4.15Å; E543-L545 PolarHBondContact O-N 2.66Å; L545-G547 VanDerWaalsContact C-N 3.26Å; L545-G547 PolarHBondContact O-N 2.91Å; L545-D550 HydrophobicContact CD2-CB 3.84Å; L545-K552 HydrophobicContact CD2-CB 3.93Å; L545-K552 HydrophobicContact CD2-CD 3.97Å; L545-L553 HydrophobicContact CD1-CD1 4.36Å; L545-L553 HydrophobicContact CD1-CD2 4.18Å; L545-L553 HydrophobicContact CD1-CG 4.46Å; L545-L553 HydrophobicContact CD2-CD1 4.3Å; L545-L553 HydrophobicContact CD2-CD2 4.23Å; L545-L553 HydrophobicContact CD2-CG 3.92Å; L545-F560 HydrophobicContact CD1-CE1 3.84Å; L545-F560 HydrophobicContact CD1-CZ 3.77Å; L545-F560 HydrophobicContact CD2-CE1 3.91Å; L545-F560 HydrophobicContact CD2-CZ 3.95Å; L545-F560 HydrophobicContact CG-CE1 4.19Å; L545-F560 HydrophobicContact CG-CZ 3.88Å; L545-A609 HydrophobicContact CD1-CB 3.74Å; L545-V632 HydrophobicContact CB-CG2 4.13Å
546S81.4Confident73.9Confident99 Ų9972 Ų7269%0.69237%0.374SS*.SBendtrans-79.7-8174.3-45.40000113.5D550 G633S546-D550 PolarHBondContact N-OD2 2.83Å; S546-D550 PolarHBondContact OG-OD2 2.84Å; S546-D550 VanDerWaalsContact OG-OD2 3.11Å; S546-G633 WeakPolarHBondContact O-CA 3.41Å
547G87.1Confident73.4Confident6 Ų674.4 Ų74.46%0.06240%0.397CS..SBendtrans129.6-166.3-173.200000112.4L545 H549 D550L545-G547 VanDerWaalsContact C-N 3.26Å; L545-G547 PolarHBondContact O-N 2.91Å; G547-H549 VanDerWaalsContact C-N 3.26Å; G547-H549 PolarHBondContact O-N 3.43Å; G547-D550 VanDerWaalsContact O-CB 3.31Å; G547-D550 WeakPolarHBondContact O-CB 3.14Å; G547-D550 PolarHBondContact O-N 2.69Å; G547-D550 VanDerWaalsContact O-N 3.09Å
548I90Very high73.4Confident11 Ų1174.1 Ų74.16%0.05639%0.388CS..THydrogen-bonded Turntrans-61.9-28.1-171.3-16358.3000114.7I423 D550 L553 F578 M581 I611 F636I423-I548 HydrophobicContact CD1-CD1 4.4Å; I548-D550 VanDerWaalsContact C-N 3.3Å; I548-D550 PolarHBondContact O-N 2.68Å; I548-L553 HydrophobicContact CD1-CD1 4.35Å; I548-F578 HydrophobicContact CG1-CD2 4.46Å; I548-F578 HydrophobicContact CG1-CE2 3.83Å; I548-F578 HydrophobicContact CG1-CZ 4.44Å; I548-M581 HydrophobicContact CD1-CE 3.64Å; I548-M581 HydrophobicContact CD1-SD 4.45Å; I548-M581 HydrophobicContact CG1-CE 4.33Å; I548-I611 HydrophobicContact CD1-CD1 4.19Å; I548-F636 HydrophobicContact CB-CD1 3.86Å; I548-F636 HydrophobicContact CB-CD2 4.36Å; I548-F636 HydrophobicContact CB-CE1 3.77Å; I548-F636 HydrophobicContact CB-CE2 4.27Å; I548-F636 HydrophobicContact CB-CG 4.17Å; I548-F636 HydrophobicContact CB-CZ 3.99Å; I548-F636 HydrophobicContact CD1-CE1 4.15Å; I548-F636 HydrophobicContact CD1-CE2 3.93Å; I548-F636 HydrophobicContact CD1-CZ 3.58Å; I548-F636 HydrophobicContact CG1-CD1 4.47Å; I548-F636 HydrophobicContact CG1-CD2 4.2Å; I548-F636 HydrophobicContact CG1-CE1 4.14Å; I548-F636 HydrophobicContact CG1-CE2 3.83Å; I548-F636 HydrophobicContact CG1-CZ 3.81Å; I548-F636 HydrophobicContact CG2-CB 4.4Å; I548-F636 HydrophobicContact CG2-CD1 4.05Å; I548-F636 HydrophobicContact CG2-CD2 4.39Å; I548-F636 HydrophobicContact CG2-CE1 4.47Å; I548-F636 HydrophobicContact CG2-CG 4.02Å
549H89.7Confident74.6Confident137 Ų13774.4 Ų74.463%0.63439%0.391SS*.THydrogen-bonded Turntrans-88.513.9178.5-65.1-50.3000114.2G547 H554 F578G547-H549 VanDerWaalsContact C-N 3.26Å; G547-H549 PolarHBondContact O-N 3.43Å; H549-H554 AromaticContact ND1-NE2 3.7Å; H549-F578 AromaticContact CE1-CE1 3.98Å; H549-F578 AromaticContact CE1-CZ 3.68Å
550D89.6Confident76.3Confident16 Ų1670.2 Ų70.29%0.08637%0.371CS..  trans-66.1132.9178.6-162.4-70.6000111.2L545 S546 G547 I548 K552 L553 H554L545-D550 HydrophobicContact CD2-CB 3.84Å; S546-D550 PolarHBondContact N-OD2 2.83Å; S546-D550 PolarHBondContact OG-OD2 2.84Å; S546-D550 VanDerWaalsContact OG-OD2 3.11Å; G547-D550 VanDerWaalsContact O-CB 3.31Å; G547-D550 WeakPolarHBondContact O-CB 3.14Å; G547-D550 PolarHBondContact O-N 2.69Å; G547-D550 VanDerWaalsContact O-N 3.09Å; I548-D550 VanDerWaalsContact C-N 3.3Å; I548-D550 PolarHBondContact O-N 2.68Å; D550-K552 PolarHBondContact O-N 3.27Å; D550-K552 WeakPolarHBondContact OD1-CB 3.4Å; D550-K552 WeakPolarHBondContact OD1-CG 3.47Å; D550-K552 PolarHBondContact OD1-N 3.34Å; D550-L553 PolarHBondContact O-N 3.32Å; D550-H554 PolarHBondContact O-N 2.92Å
551P87.9Confident78.3Confident77 Ų7766.5 Ų66.550%0.535%0.353SS..Hα-helixtrans-53.5-24.5177.3-2936.3000114.9H555P551-H555 VanDerWaalsContact O-CB 3.3Å; P551-H555 WeakPolarHBondContact O-CB 3.5Å; P551-H555 PolarHBondContact O-N 3.42Å; P551-H555 PolarHBondContact O-ND1 2.83Å
552K87.2Confident80.1Confident59 Ų5961.1 Ų61.126%0.25733%0.326SS..Hα-helixtrans-65-36.8175.2-70.2175173.6-174.70113.7E544 L545 D550 F560E544-K552 WeakPolarHBondContact O-CD 3.39Å; E544-K552 WeakPolarHBondContact O-CE 3.42Å; E544-K552 PolarHBondContact O-NZ 3.12Å; L545-K552 HydrophobicContact CD2-CB 3.93Å; L545-K552 HydrophobicContact CD2-CD 3.97Å; D550-K552 PolarHBondContact O-N 3.27Å; D550-K552 WeakPolarHBondContact OD1-CB 3.4Å; D550-K552 WeakPolarHBondContact OD1-CG 3.47Å; D550-K552 PolarHBondContact OD1-N 3.34Å; K552-F560 HydrophobicContact CB-CD1 4.35Å; K552-F560 HydrophobicContact CB-CG 4.31Å; K552-F560 HydrophobicContact CD-CD2 4.39Å
553L89Confident82.2Confident0 Ų054.6 Ų54.60%030%0.3CS..Hα-helixtrans-77.7-41.1179.4-62.4173.1000110.8I423 L545 I548 D550 F560 F562 M581I423-L553 HydrophobicContact CD1-CD1 3.89Å; L545-L553 HydrophobicContact CD1-CD1 4.36Å; L545-L553 HydrophobicContact CD1-CD2 4.18Å; L545-L553 HydrophobicContact CD1-CG 4.46Å; L545-L553 HydrophobicContact CD2-CD1 4.3Å; L545-L553 HydrophobicContact CD2-CD2 4.23Å; L545-L553 HydrophobicContact CD2-CG 3.92Å; I548-L553 HydrophobicContact CD1-CD1 4.35Å; D550-L553 PolarHBondContact O-N 3.32Å; L553-F560 HydrophobicContact CD2-CD1 4.12Å; L553-F560 HydrophobicContact CD2-CE1 3.85Å; L553-F562 HydrophobicContact CD2-CB 4.21Å; L553-F562 HydrophobicContact CD2-CD1 3.67Å; L553-F562 HydrophobicContact CD2-CD2 4.2Å; L553-F562 HydrophobicContact CD2-CE1 4.06Å; L553-F562 HydrophobicContact CD2-CG 3.75Å; L553-F562 HydrophobicContact CD2-CZ 4.49Å; L553-M581 HydrophobicContact CB-SD 3.87Å
554H87.7Confident84.1Confident63 Ų6349 Ų4929%0.29227%0.274SS..Hα-helixtrans-72.6-26.4177.6-73.2-65.7000114H549 D550 P556 F578H549-H554 AromaticContact ND1-NE2 3.7Å; D550-H554 PolarHBondContact O-N 2.92Å; H554-P556 VanDerWaalsContact C-CD 3.44Å; H554-P556 WeakPolarHBondContact O-CD 3.37Å; H554-F578 AromaticContact CE1-CD1 3.73Å; H554-F578 AromaticContact CE1-CE1 3.88Å
555H85.1Confident85.5Confident104 Ų10446.6 Ų46.648%0.48126%0.263SS..  trans-118.276.3-178.6-56.488.8000112P551 S557 Q558P551-H555 VanDerWaalsContact O-CB 3.3Å; P551-H555 WeakPolarHBondContact O-CB 3.5Å; P551-H555 PolarHBondContact O-N 3.42Å; P551-H555 PolarHBondContact O-ND1 2.83Å; H555-S557 PolarHBondContact O-N 2.78Å; H555-Q558 WeakPolarHBondContact O-CG 3.02Å; H555-Q558 PolarHBondContact O-N 2.94Å; H555-Q558 VanDerWaalsContact O-N 3.11Å
556P71.2Confident86.3Confident42 Ų4253 Ų5327%0.27329%0.287SS..G310 helixtrans-61.6-10-177.420.4-32.2000115.8H554 Q558 G559 Y584H554-P556 VanDerWaalsContact C-CD 3.44Å; H554-P556 WeakPolarHBondContact O-CD 3.37Å; P556-Q558 PolarHBondContact O-N 3.01Å; P556-Q558 VanDerWaalsContact O-N 3.14Å; P556-G559 PolarHBondContact O-N 2.6Å; P556-Y584 HydrophobicContact CB-CD1 4.17Å; P556-Y584 HydrophobicContact CB-CD2 3.05Å; P556-Y584 HydrophobicContact CB-CE1 4.36Å; P556-Y584 HydrophobicContact CB-CE2 3.32Å; P556-Y584 HydrophobicContact CB-CG 3.54Å; P556-Y584 HydrophobicContact CG-CD2 3.75Å; P556-Y584 HydrophobicContact CG-CE2 4.44Å; P556-Y584 HydrophobicContact CG-CG 4.06Å
557S63Low86.8Confident114 Ų11449.5 Ų49.580%0.79726%0.26SS*.G310 helixtrans-60.1-14.517052.30000113.7H555 G559H555-S557 PolarHBondContact O-N 2.78Å; S557-G559 VanDerWaalsContact C-N 3.26Å; S557-G559 PolarHBondContact O-N 2.82Å
558Q69Low87Confident117 Ų11749.2 Ų49.255%0.54726%0.257SS..G310 helixtrans-77.9-6172.8-60-175.826.200113.7H555 P556 F560H555-Q558 WeakPolarHBondContact O-CG 3.02Å; H555-Q558 PolarHBondContact O-N 2.94Å; H555-Q558 VanDerWaalsContact O-N 3.11Å; P556-Q558 PolarHBondContact O-N 3.01Å; P556-Q558 VanDerWaalsContact O-N 3.14Å; Q558-F560 VanDerWaalsContact C-N 3.35Å
559G81.9Confident87.1Confident49 Ų4948.7 Ų48.751%0.50525%0.254SS..  trans81.17.9175.800000115.6P556 S557P556-G559 PolarHBondContact O-N 2.6Å; S557-G559 VanDerWaalsContact C-N 3.26Å; S557-G559 PolarHBondContact O-N 2.82Å
560F89.5Confident87.2Confident16 Ų1642.2 Ų42.27%0.0722%0.224CC..  trans-77.1121.6179.4-171.2-96.7000111.3L545 K552 L553 Q558 F562 Y584 D608 A609L545-F560 HydrophobicContact CD1-CE1 3.84Å; L545-F560 HydrophobicContact CD1-CZ 3.77Å; L545-F560 HydrophobicContact CD2-CE1 3.91Å; L545-F560 HydrophobicContact CD2-CZ 3.95Å; L545-F560 HydrophobicContact CG-CE1 4.19Å; L545-F560 HydrophobicContact CG-CZ 3.88Å; K552-F560 HydrophobicContact CB-CD1 4.35Å; K552-F560 HydrophobicContact CB-CG 4.31Å; K552-F560 HydrophobicContact CD-CD2 4.39Å; L553-F560 HydrophobicContact CD2-CD1 4.12Å; L553-F560 HydrophobicContact CD2-CE1 3.85Å; Q558-F560 VanDerWaalsContact C-N 3.35Å; F560-F562 HydrophobicContact CD1-CD1 4.07Å; F560-Y584 PolarHBondContact O-OH 3.12Å; F560-Y584 VanDerWaalsContact O-OH 3.09Å; F560-D608 HydrophobicContact CD2-CB 3.79Å; F560-D608 HydrophobicContact CE1-CB 4.39Å; F560-D608 HydrophobicContact CE2-CB 3.47Å; F560-D608 VanDerWaalsContact CE2-CB 3.47Å; F560-D608 HydrophobicContact CG-CB 4.38Å; F560-D608 HydrophobicContact CZ-CB 3.8Å; F560-A609 HydrophobicContact CE1-CB 3.73Å; F560-A609 HydrophobicContact CZ-CB 3.79Å
561R91.6Very high87.4Confident65 Ų6541.9 Ų41.925%0.24522%0.222CC..  trans-100.9124.5-169.7-57.4158.4-65160.45.1110.9Y588 E605 K606 D608 A609R561-Y588 HydrophobicContact CB-CD1 4.5Å; R561-Y588 HydrophobicContact CB-CE1 4.27Å; R561-Y588 HydrophobicContact CG-CE1 4.12Å; R561-E605 VanDerWaalsContact CZ-O 3.31Å; R561-E605 PolarHBondContact NH1-O 3.21Å; R561-E605 PolarHBondContact NH2-O 3.09Å; R561-E605 VanDerWaalsContact NH2-O 3.08Å; R561-K606 PolarHBondContact NH1-O 3.37Å; R561-K606 VanDerWaalsContact NH1-O 3.12Å; R561-D608 WeakPolarHBondContact CB-OD2 3Å; R561-D608 IonicContact CZ-OD1 2.69Å; R561-D608 IonicContact CZ-OD2 2.69Å; R561-D608 PolarHBondContact N-OD2 3.45Å; R561-D608 IonicContact NE-OD1 2.78Å; R561-D608 IonicContact NE-OD2 3.43Å; R561-D608 PolarHBondContact NE-OD2 2.85Å; R561-D608 VanDerWaalsContact NH2-CG 3.32Å; R561-D608 IonicContact NH2-OD1 3.35Å; R561-D608 PolarHBondContact NH2-OD1 3.46Å; R561-D608 IonicContact NH2-OD2 2.8Å; R561-D608 PolarHBondContact NH2-OD2 3.46Å; R561-D608 PolarHBondContact O-N 2.92Å; R561-A609 PolarHBondContact O-N 3.25Å; R561-A609 VanDerWaalsContact O-N 3.15Å
562F92.9Very high87.6Confident0 Ų039.4 Ų39.40%021%0.205CC..EExtended strand (participates in β ladder)trans-141.2150.2178.460.9-85.1000111.5L553 F560 M581 Y584 M585 A609 I611L553-F562 HydrophobicContact CD2-CB 4.21Å; L553-F562 HydrophobicContact CD2-CD1 3.67Å; L553-F562 HydrophobicContact CD2-CD2 4.2Å; L553-F562 HydrophobicContact CD2-CE1 4.06Å; L553-F562 HydrophobicContact CD2-CG 3.75Å; L553-F562 HydrophobicContact CD2-CZ 4.49Å; F560-F562 HydrophobicContact CD1-CD1 4.07Å; F562-M581 HydrophobicContact CE2-CG 3.51Å; F562-M581 HydrophobicContact CE2-SD 4.36Å; F562-M581 HydrophobicContact CZ-CG 3.55Å; F562-Y584 HydrophobicContact CD1-CD1 4.08Å; F562-Y584 AromaticContact CD1-CE1 3.89Å; F562-Y584 HydrophobicContact CD1-CE1 3.89Å; F562-Y584 AromaticContact CE1-CD1 3.45Å; F562-Y584 HydrophobicContact CE1-CD1 3.45Å; F562-Y584 VanDerWaalsContact CE1-CD1 3.45Å; F562-Y584 AromaticContact CE1-CE1 3.63Å; F562-Y584 HydrophobicContact CE1-CE1 3.63Å; F562-Y584 HydrophobicContact CE1-CG 4.42Å; F562-Y584 HydrophobicContact CE2-CD1 4.21Å; F562-Y584 AromaticContact CZ-CD1 3.52Å; F562-Y584 HydrophobicContact CZ-CD1 3.52Å; F562-Y584 HydrophobicContact CZ-CE1 4.18Å; F562-Y584 HydrophobicContact CZ-CG 4.32Å; F562-M585 HydrophobicContact CD2-CB 4.14Å; F562-M585 HydrophobicContact CD2-CG 3.9Å; F562-M585 HydrophobicContact CD2-SD 4.32Å; F562-M585 HydrophobicContact CE2-CB 3.78Å; F562-M585 HydrophobicContact CE2-CG 4.02Å; F562-M585 HydrophobicContact CE2-SD 4.43Å; F562-A609 VanDerWaalsContact CA-O 3.27Å; F562-A609 WeakPolarHBondContact CA-O 3.25Å; F562-A609 HydrophobicContact CB-CB 4.16Å; F562-I611 HydrophobicContact CD2-CD1 4.21Å
563G94.6Very high87.8Confident0 Ų039.3 Ų39.30%020%0.203CC..EExtended strand (participates in β ladder)trans-150.3171.6-175.600000112F610 I611G563-F610 WeakPolarHBondContact O-CD2 3.45Å; G563-I611 PolarHBondContact O-N 3.46Å
564T95.8Very high88Confident0 Ų039.3 Ų39.30%020%0.203CC..EExtended strand (participates in β ladder)trans-140.7177.2174-171.30000110.8A570 E571 M585 N589 V590 I611T564-A570 VanDerWaalsContact OG1-CB 3.23Å; T564-A570 WeakPolarHBondContact OG1-CB 3.46Å; T564-E571 HydrophobicContact CG2-CB 4.02Å; T564-M585 HydrophobicContact CG2-CE 3.45Å; T564-M585 VanDerWaalsContact CG2-CE 3.45Å; T564-M585 HydrophobicContact CG2-SD 3.75Å; T564-N589 PolarHBondContact N-OD1 3.18Å; T564-N589 VanDerWaalsContact N-OD1 3.12Å; T564-N589 CarbonylContact O-C 3.55Å; T564-N589 WeakPolarHBondContact O-CA 3.43Å; T564-N589 VanDerWaalsContact O-CB 3.32Å; T564-N589 WeakPolarHBondContact O-CB 3.45Å; T564-V590 PolarHBondContact O-N 2.96Å; T564-I611 WeakPolarHBondContact CA-O 3.39Å; T564-I611 WeakPolarHBondContact CB-O 3.48Å; T564-I611 PolarHBondContact OG1-O 3.21Å
565V95.1Very high88.2Confident3 Ų341.5 Ų41.52%0.01821%0.209CC..BIsolated β-bridgetrans-71.7137172.9178.80000109.9S568 V590 P591 F610 M612V565-S568 WeakPolarHBondContact O-CB 3.47Å; V565-S568 PolarHBondContact O-OG 3.26Å; V565-V590 CarbonylContact C-O 3.58Å; V565-V590 WeakPolarHBondContact CA-O 3.1Å; V565-V590 HydrophobicContact CG2-CG2 4.34Å; V565-P591 WeakPolarHBondContact CG1-O 3.36Å; V565-F610 HydrophobicContact CG2-CE2 4.3Å; V565-F610 HydrophobicContact CG2-CZ 3.82Å; V565-M612 HydrophobicContact CB-CE 3.87Å; V565-M612 HydrophobicContact CB-SD 3.81Å; V565-M612 HydrophobicContact CG1-CE 4.41Å; V565-M612 HydrophobicContact CG2-CE 3.66Å; V565-M612 HydrophobicContact CG2-CG 4.41Å; V565-M612 HydrophobicContact CG2-SD 3.56Å; V565-M612 VanDerWaalsContact CG2-SD 3.56Å
566R92.7Very high88.5Confident134 Ų13444 Ų4451%0.50622%0.221SC..THydrogen-bonded Turntrans-65.4138.8178.6-68168.9-167.4-172.63.7111.4S568 E571 N589 V590R566-S568 PolarHBondContact O-N 2.82Å; R566-E571 WeakPolarHBondContact CA-OE2 3.2Å; R566-N589 HydrophobicContact CG-CB 3.75Å; R566-N589 VanDerWaalsContact CZ-O 3.28Å; R566-N589 PolarHBondContact NE-O 3.19Å; R566-N589 PolarHBondContact NH2-O 2.9Å; R566-V590 WeakPolarHBondContact CG-O 3.24Å; R566-V590 PolarHBondContact N-O 3.26Å
567E91.2Very high89.6Confident27 Ų2744.3 Ų44.313%0.12622%0.224CC..THydrogen-bonded Turntrans59.928.2174.9-61.9173.1-129.500113.5K372 A375 K377 T382 R406 E571K372-E567 HydrophobicContact CD-CB 4.21Å; K372-E567 VanDerWaalsContact CD-CD 3.49Å; K372-E567 HydrophobicContact CD-CG 4.39Å; K372-E567 WeakPolarHBondContact CD-OE2 3.28Å; K372-E567 IonicContact NZ-OE1 3.46Å; K372-E567 PolarHBondContact NZ-OE1 2.68Å; K372-E567 IonicContact NZ-OE2 2.71Å; K372-E567 PolarHBondContact NZ-OE2 2.71Å; A375-E567 HydrophobicContact CB-CB 3.82Å; A375-E567 HydrophobicContact CB-CG 3.98Å; K377-E567 VanDerWaalsContact CE-CG 3.43Å; K377-E567 HydrophobicContact CG-CG 4.45Å; T382-E567 WeakPolarHBondContact CB-OE2 3.48Å; T382-E567 WeakPolarHBondContact CG2-OE2 3.34Å; T382-E567 PolarHBondContact OG1-OE2 3.41Å; R406-E567 PolarHBondContact NH2-O 3.02Å; E567-E571 PolarHBondContact N-OE2 2.87Å
568S92.6Very high91Very high0 Ų040.5 Ų40.50%019%0.193CC..SBendtrans-92.3167176.564.30000113.4V565 R566 A570 E571 D572V565-S568 WeakPolarHBondContact O-CB 3.47Å; V565-S568 PolarHBondContact O-OG 3.26Å; R566-S568 PolarHBondContact O-N 2.82Å; S568-A570 VanDerWaalsContact C-N 3.27Å; S568-A570 PolarHBondContact O-N 3.28Å; S568-A570 PolarHBondContact OG-N 3.16Å; S568-E571 PolarHBondContact O-N 2.77Å; S568-E571 PolarHBondContact OG-N 2.9Å; S568-D572 PolarHBondContact O-N 3.32Å
569S91.3Very high92.1Very high0 Ų038.9 Ų38.90%019%0.193CC..Hα-helixtrans-45.5-51.716238.20000111.6S401 E571 D572 Y573 D613S401-S569 PolarHBondContact OG-OG 3.08Å; S569-E571 PolarHBondContact O-N 2.8Å; S569-D572 PolarHBondContact O-N 3.48Å; S569-Y573 WeakPolarHBondContact O-CB 3.33Å; S569-Y573 PolarHBondContact O-N 2.91Å; S569-D613 PolarHBondContact OG-OD1 3.12Å; S569-D613 PolarHBondContact OG-OD2 2.7Å
570A93Very high92.6Very high0 Ų044.2 Ų44.20%020%0.204CC..Hα-helixtrans-61.9-40.1-17900000113.7L421 T564 S568 V574 M612L421-A570 HydrophobicContact CD1-CB 4.38Å; L421-A570 HydrophobicContact CD2-CB 3.73Å; T564-A570 VanDerWaalsContact OG1-CB 3.23Å; T564-A570 WeakPolarHBondContact OG1-CB 3.46Å; S568-A570 VanDerWaalsContact C-N 3.27Å; S568-A570 PolarHBondContact O-N 3.28Å; S568-A570 PolarHBondContact OG-N 3.16Å; A570-V574 WeakPolarHBondContact O-CB 3.38Å; A570-V574 WeakPolarHBondContact O-CG2 3.36Å; A570-V574 PolarHBondContact O-N 3.2Å; A570-V574 VanDerWaalsContact O-N 3.11Å; A570-M612 HydrophobicContact CB-SD 4.41Å
571E93.4Very high92.7Very high9 Ų943.7 Ų43.74%0.04220%0.202CC..Hα-helixtrans-61.6-49.8175.1-174.3-174.5135.800111.1K377 T564 R566 E567 S568 S569 R575 H582 N589K377-E571 IonicContact NZ-OE1 2.68Å; K377-E571 PolarHBondContact NZ-OE1 3.38Å; T564-E571 HydrophobicContact CG2-CB 4.02Å; R566-E571 WeakPolarHBondContact CA-OE2 3.2Å; E567-E571 PolarHBondContact N-OE2 2.87Å; S568-E571 PolarHBondContact O-N 2.77Å; S568-E571 PolarHBondContact OG-N 2.9Å; S569-E571 PolarHBondContact O-N 2.8Å; E571-R575 WeakPolarHBondContact O-CB 3.4Å; E571-R575 PolarHBondContact O-N 3.21Å; E571-H582 IonicContact OE1-CE1 2.6Å; E571-N589 PolarHBondContact OE2-ND2 3Å
572D91.1Very high92.8Very high26 Ų2640.9 Ų40.914%0.13919%0.192CC..Hα-helixtrans-73.7-34.1-175.9-83.1-35.2000112.6S568 S569 R575 Q576S568-D572 PolarHBondContact O-N 3.32Å; S569-D572 PolarHBondContact O-N 3.48Å; D572-R575 WeakPolarHBondContact O-CB 3.47Å; D572-R575 PolarHBondContact O-N 2.96Å; D572-R575 WeakPolarHBondContact OD1-CD 3.27Å; D572-R575 IonicContact OD1-CZ 3.87Å; D572-R575 IonicContact OD1-NH1 2.88Å; D572-R575 PolarHBondContact OD1-NH1 3.2Å; D572-Q576 WeakPolarHBondContact O-CB 3.32Å; D572-Q576 PolarHBondContact O-N 2.98Å
573Y92.4Very high92.8Very high56 Ų5647.8 Ų47.822%0.2222%0.224CC..Hα-helixtrans-61.8-47.5171.6174.7-95.6000112L421 S569 R575 Q576 S577 F578 F636 A637L421-Y573 HydrophobicContact CD1-CD1 3.46Å; L421-Y573 VanDerWaalsContact CD1-CD1 3.46Å; L421-Y573 HydrophobicContact CD1-CE1 4.25Å; L421-Y573 HydrophobicContact CD1-CG 3.72Å; S569-Y573 WeakPolarHBondContact O-CB 3.33Å; S569-Y573 PolarHBondContact O-N 2.91Å; Y573-R575 VanDerWaalsContact C-N 3.33Å; Y573-R575 PolarHBondContact O-N 2.72Å; Y573-Q576 PolarHBondContact O-N 2.74Å; Y573-S577 WeakPolarHBondContact CE2-OG 3.3Å; Y573-S577 VanDerWaalsContact O-CB 3.3Å; Y573-S577 WeakPolarHBondContact O-CB 3.31Å; Y573-S577 PolarHBondContact O-N 3.2Å; Y573-S577 PolarHBondContact O-OG 3.37Å; Y573-F578 HydrophobicContact CE1-CE2 4.21Å; Y573-F636 HydrophobicContact CD1-CD2 4.3Å; Y573-F636 HydrophobicContact CD1-CE2 4.07Å; Y573-F636 AromaticContact CE1-CD2 3.56Å; Y573-F636 HydrophobicContact CE1-CD2 3.56Å; Y573-F636 AromaticContact CE1-CE2 3.68Å; Y573-F636 HydrophobicContact CE1-CE2 3.68Å; Y573-A637 HydrophobicContact CD1-CB 4.25Å; Y573-A637 HydrophobicContact CD2-CB 3.75Å; Y573-A637 HydrophobicContact CE1-CB 4.16Å; Y573-A637 HydrophobicContact CE2-CB 3.65Å; Y573-A637 HydrophobicContact CG-CB 4.05Å
574V93.4Very high92.7Very high0 Ų048.7 Ų48.70%023%0.228CC..Hα-helixtrans-66.1-37.5177.91690000110.7A570 F578 M581 H582 M585A570-V574 WeakPolarHBondContact O-CB 3.38Å; A570-V574 WeakPolarHBondContact O-CG2 3.36Å; A570-V574 PolarHBondContact O-N 3.2Å; A570-V574 VanDerWaalsContact O-N 3.11Å; V574-F578 CarbonylContact O-C 3.59Å; V574-F578 WeakPolarHBondContact O-CA 3.4Å; V574-F578 PolarHBondContact O-N 3.26Å; V574-M581 HydrophobicContact CB-CE 4.44Å; V574-M581 HydrophobicContact CG1-CE 3.63Å; V574-M581 HydrophobicContact CG2-CE 4.04Å; V574-H582 HydrophobicContact CG1-CB 4.02Å; V574-M585 HydrophobicContact CB-CE 3.85Å; V574-M585 HydrophobicContact CB-SD 4.47Å; V574-M585 HydrophobicContact CG1-CE 3.53Å; V574-M585 HydrophobicContact CG1-SD 3.97Å; V574-M585 HydrophobicContact CG2-CE 4.41Å
575R92.4Very high92.6Very high109 Ų10948.7 Ų48.741%0.41123%0.228SC..Hα-helixtrans-62.2-39.3174.4-179.2-177.7175.6-162.5-0.5113.3E571 D572 Y573 H582E571-R575 WeakPolarHBondContact O-CB 3.4Å; E571-R575 PolarHBondContact O-N 3.21Å; D572-R575 WeakPolarHBondContact O-CB 3.47Å; D572-R575 PolarHBondContact O-N 2.96Å; D572-R575 WeakPolarHBondContact OD1-CD 3.27Å; D572-R575 IonicContact OD1-CZ 3.87Å; D572-R575 IonicContact OD1-NH1 2.88Å; D572-R575 PolarHBondContact OD1-NH1 3.2Å; Y573-R575 VanDerWaalsContact C-N 3.33Å; Y573-R575 PolarHBondContact O-N 2.72Å; R575-H582 HydrophobicContact CB-CB 4.38Å
576Q91.1Very high92.4Very high157 Ų15755.4 Ų55.473%0.73425%0.253SS*.Hα-helixtrans-79.6-39.2180-170.9174.214.400112.4D572 Y573D572-Q576 WeakPolarHBondContact O-CB 3.32Å; D572-Q576 PolarHBondContact O-N 2.98Å; Y573-Q576 PolarHBondContact O-N 2.74Å
577S92.7Very high92.4Very high48 Ų4857.1 Ų57.134%0.33626%0.259SS..Hα-helixtrans-88-34-173.8-52.60000113.5Y573Y573-S577 WeakPolarHBondContact CE2-OG 3.3Å; Y573-S577 VanDerWaalsContact O-CB 3.3Å; Y573-S577 WeakPolarHBondContact O-CB 3.31Å; Y573-S577 PolarHBondContact O-N 3.2Å; Y573-S577 PolarHBondContact O-OG 3.37Å
578F93.6Very high92.5Very high34 Ų3459.6 Ų59.615%0.14927%0.268CS..  trans-142.668.9-168.1-53.9-63.8000111.6I548 H549 H554 Y573 V574 E580 M581 H582I548-F578 HydrophobicContact CG1-CD2 4.46Å; I548-F578 HydrophobicContact CG1-CE2 3.83Å; I548-F578 HydrophobicContact CG1-CZ 4.44Å; H549-F578 AromaticContact CE1-CE1 3.98Å; H549-F578 AromaticContact CE1-CZ 3.68Å; H554-F578 AromaticContact CE1-CD1 3.73Å; H554-F578 AromaticContact CE1-CE1 3.88Å; Y573-F578 HydrophobicContact CE1-CE2 4.21Å; V574-F578 CarbonylContact O-C 3.59Å; V574-F578 WeakPolarHBondContact O-CA 3.4Å; V574-F578 PolarHBondContact O-N 3.26Å; F578-E580 PolarHBondContact O-N 2.84Å; F578-M581 HydrophobicContact CB-CB 3.77Å; F578-M581 HydrophobicContact CB-CE 3.81Å; F578-M581 HydrophobicContact CB-SD 4.45Å; F578-M581 HydrophobicContact CD2-CE 3.56Å; F578-M581 HydrophobicContact CE2-CE 4.41Å; F578-M581 HydrophobicContact CG-CE 3.9Å; F578-M581 WeakPolarHBondContact O-CB 3.5Å; F578-M581 PolarHBondContact O-N 2.96Å; F578-H582 PolarHBondContact O-N 3.29Å
579P93Very high92.6Very high84 Ų8459.9 Ų59.955%0.54527%0.269SS..Hα-helixtrans-60.2-37.1-169.821.9-33.7000114.6H582 E583P579-H582 WeakPolarHBondContact O-CB 3.47Å; P579-H582 PolarHBondContact O-N 3.07Å; P579-E583 PolarHBondContact O-N 3.42Å
580E91.1Very high92.8Very high160 Ų16060 Ų6075%0.74827%0.27SS*.Hα-helixtrans-65.1-40.1175.6-60.5-179.3167.700111.8F578 E583 Y584F578-E580 PolarHBondContact O-N 2.84Å; E580-E583 PolarHBondContact O-N 3.18Å; E580-Y584 PolarHBondContact O-N 3.03Å
581M92.4Very high92.7Very high5 Ų563.5 Ų63.53%0.02529%0.293CS..Hα-helixtrans-66-41.2176.4-166.1171.977.100110.5I548 L553 F562 V574 F578 Y584 M585I548-M581 HydrophobicContact CD1-CE 3.64Å; I548-M581 HydrophobicContact CD1-SD 4.45Å; I548-M581 HydrophobicContact CG1-CE 4.33Å; L553-M581 HydrophobicContact CB-SD 3.87Å; F562-M581 HydrophobicContact CE2-CG 3.51Å; F562-M581 HydrophobicContact CE2-SD 4.36Å; F562-M581 HydrophobicContact CZ-CG 3.55Å; V574-M581 HydrophobicContact CB-CE 4.44Å; V574-M581 HydrophobicContact CG1-CE 3.63Å; V574-M581 HydrophobicContact CG2-CE 4.04Å; F578-M581 HydrophobicContact CB-CB 3.77Å; F578-M581 HydrophobicContact CB-CE 3.81Å; F578-M581 HydrophobicContact CB-SD 4.45Å; F578-M581 HydrophobicContact CD2-CE 3.56Å; F578-M581 HydrophobicContact CE2-CE 4.41Å; F578-M581 HydrophobicContact CG-CE 3.9Å; F578-M581 WeakPolarHBondContact O-CB 3.5Å; F578-M581 PolarHBondContact O-N 2.96Å; M581-Y584 PolarHBondContact O-N 3.36Å; M581-M585 WeakPolarHBondContact O-CB 3.44Å; M581-M585 PolarHBondContact O-N 3.43Å
582H93.1Very high92.6Very high7 Ų764.7 Ų64.73%0.03230%0.304CS..Hα-helixtrans-61.4-41.2174.2176.273.8000113.1E571 V574 R575 F578 P579 Y584 M585 R586E571-H582 IonicContact OE1-CE1 2.6Å; V574-H582 HydrophobicContact CG1-CB 4.02Å; R575-H582 HydrophobicContact CB-CB 4.38Å; F578-H582 PolarHBondContact O-N 3.29Å; P579-H582 WeakPolarHBondContact O-CB 3.47Å; P579-H582 PolarHBondContact O-N 3.07Å; H582-Y584 VanDerWaalsContact C-N 3.35Å; H582-Y584 PolarHBondContact O-N 3.07Å; H582-M585 PolarHBondContact O-N 3.45Å; H582-R586 PolarHBondContact CD2-NH2 2.91Å; H582-R586 VanDerWaalsContact CD2-NH2 3.26Å; H582-R586 PolarHBondContact NE2-NE 2.99Å; H582-R586 PolarHBondContact NE2-NH2 2.95Å; H582-R586 WeakPolarHBondContact O-CB 3.41Å; H582-R586 PolarHBondContact O-N 3.05Å
583E92.6Very high92.7Very high144 Ų14463.6 Ų63.667%0.67330%0.298SS*.Hα-helixtrans-62.6-40.7177.5-174.3173.9-175.500112P579 E580P579-E583 PolarHBondContact O-N 3.42Å; E580-E583 PolarHBondContact O-N 3.18Å
584Y92.3Very high92.6Very high20 Ų2063.1 Ų63.18%0.07830%0.302CS..Hα-helixtrans-63-53.4171.9-179.3-89.8000111.8P556 F560 F562 E580 M581 H582 R586 R587 Y588P556-Y584 HydrophobicContact CB-CD1 4.17Å; P556-Y584 HydrophobicContact CB-CD2 3.05Å; P556-Y584 HydrophobicContact CB-CE1 4.36Å; P556-Y584 HydrophobicContact CB-CE2 3.32Å; P556-Y584 HydrophobicContact CB-CG 3.54Å; P556-Y584 HydrophobicContact CG-CD2 3.75Å; P556-Y584 HydrophobicContact CG-CE2 4.44Å; P556-Y584 HydrophobicContact CG-CG 4.06Å; F560-Y584 PolarHBondContact O-OH 3.12Å; F560-Y584 VanDerWaalsContact O-OH 3.09Å; F562-Y584 HydrophobicContact CD1-CD1 4.08Å; F562-Y584 AromaticContact CD1-CE1 3.89Å; F562-Y584 HydrophobicContact CD1-CE1 3.89Å; F562-Y584 AromaticContact CE1-CD1 3.45Å; F562-Y584 HydrophobicContact CE1-CD1 3.45Å; F562-Y584 VanDerWaalsContact CE1-CD1 3.45Å; F562-Y584 AromaticContact CE1-CE1 3.63Å; F562-Y584 HydrophobicContact CE1-CE1 3.63Å; F562-Y584 HydrophobicContact CE1-CG 4.42Å; F562-Y584 HydrophobicContact CE2-CD1 4.21Å; F562-Y584 AromaticContact CZ-CD1 3.52Å; F562-Y584 HydrophobicContact CZ-CD1 3.52Å; F562-Y584 HydrophobicContact CZ-CE1 4.18Å; F562-Y584 HydrophobicContact CZ-CG 4.32Å; E580-Y584 PolarHBondContact O-N 3.03Å; M581-Y584 PolarHBondContact O-N 3.36Å; H582-Y584 VanDerWaalsContact C-N 3.35Å; H582-Y584 PolarHBondContact O-N 3.07Å; Y584-R586 VanDerWaalsContact C-N 3.33Å; Y584-R586 PolarHBondContact O-N 3Å; Y584-R587 VanDerWaalsContact CE2-NH2 3.27Å; Y584-R587 PolarHBondContact O-N 2.92Å; Y584-R587 PolarHBondContact O-NE 3.16Å; Y584-Y588 HydrophobicContact CD1-CD2 4.44Å; Y584-Y588 HydrophobicContact CD1-CE2 4.42Å; Y584-Y588 AromaticContact CE1-CD2 3.93Å; Y584-Y588 HydrophobicContact CE1-CD2 3.93Å; Y584-Y588 AromaticContact CE1-CE2 3.68Å; Y584-Y588 HydrophobicContact CE1-CE2 3.68Å; Y584-Y588 HydrophobicContact CE2-CE2 4.28Å; Y584-Y588 AromaticContact CZ-CE2 3.6Å
585M93.4Very high92.6Very high0 Ų065.7 Ų65.70%032%0.316CS..Hα-helixtrans-58.9-39.4-171.8-170-178.264.600112.7F562 T564 V574 M581 H582 R587 Y588 N589 I611F562-M585 HydrophobicContact CD2-CB 4.14Å; F562-M585 HydrophobicContact CD2-CG 3.9Å; F562-M585 HydrophobicContact CD2-SD 4.32Å; F562-M585 HydrophobicContact CE2-CB 3.78Å; F562-M585 HydrophobicContact CE2-CG 4.02Å; F562-M585 HydrophobicContact CE2-SD 4.43Å; T564-M585 HydrophobicContact CG2-CE 3.45Å; T564-M585 VanDerWaalsContact CG2-CE 3.45Å; T564-M585 HydrophobicContact CG2-SD 3.75Å; V574-M585 HydrophobicContact CB-CE 3.85Å; V574-M585 HydrophobicContact CB-SD 4.47Å; V574-M585 HydrophobicContact CG1-CE 3.53Å; V574-M585 HydrophobicContact CG1-SD 3.97Å; V574-M585 HydrophobicContact CG2-CE 4.41Å; M581-M585 WeakPolarHBondContact O-CB 3.44Å; M581-M585 PolarHBondContact O-N 3.43Å; H582-M585 PolarHBondContact O-N 3.45Å; M585-R587 PolarHBondContact O-N 3.41Å; M585-Y588 PolarHBondContact O-N 2.94Å; M585-N589 WeakPolarHBondContact CG-OD1 3.05Å; M585-N589 PolarHBondContact O-N 2.98Å; M585-N589 PolarHBondContact O-OD1 3.3Å; M585-N589 VanDerWaalsContact O-OD1 3.12Å; M585-I611 HydrophobicContact SD-CD1 4.42Å
586R92.6Very high92.6Very high144 Ų14460.5 Ų60.554%0.54330%0.296SS..G310 helixtrans-51-29.8-177.3-169.7-174.5-62.6166.63.2114.1H582 Y584 Y588H582-R586 PolarHBondContact CD2-NH2 2.91Å; H582-R586 VanDerWaalsContact CD2-NH2 3.26Å; H582-R586 PolarHBondContact NE2-NE 2.99Å; H582-R586 PolarHBondContact NE2-NH2 2.95Å; H582-R586 WeakPolarHBondContact O-CB 3.41Å; H582-R586 PolarHBondContact O-N 3.05Å; Y584-R586 VanDerWaalsContact C-N 3.33Å; Y584-R586 PolarHBondContact O-N 3Å; R586-Y588 VanDerWaalsContact C-N 3.26Å; R586-Y588 PolarHBondContact O-N 3.5Å
587R92.1Very high92.7Very high170 Ų17053.2 Ų53.264%0.64226%0.263SS*.G310 helixtrans-71.7-18.3178.6-65.5179.5-66.8-173.4-0.3114.1Y584 M585Y584-R587 VanDerWaalsContact CE2-NH2 3.27Å; Y584-R587 PolarHBondContact O-N 2.92Å; Y584-R587 PolarHBondContact O-NE 3.16Å; M585-R587 PolarHBondContact O-N 3.41Å
588Y93.6Very high92.7Very high79 Ų7956.5 Ų56.531%0.3127%0.273SS..G310 helixtrans-115.63.8-177.2-59.9-79.4000113R561 Y584 M585 R586 V590 L607R561-Y588 HydrophobicContact CB-CD1 4.5Å; R561-Y588 HydrophobicContact CB-CE1 4.27Å; R561-Y588 HydrophobicContact CG-CE1 4.12Å; Y584-Y588 HydrophobicContact CD1-CD2 4.44Å; Y584-Y588 HydrophobicContact CD1-CE2 4.42Å; Y584-Y588 AromaticContact CE1-CD2 3.93Å; Y584-Y588 HydrophobicContact CE1-CD2 3.93Å; Y584-Y588 AromaticContact CE1-CE2 3.68Å; Y584-Y588 HydrophobicContact CE1-CE2 3.68Å; Y584-Y588 HydrophobicContact CE2-CE2 4.28Å; Y584-Y588 AromaticContact CZ-CE2 3.6Å; M585-Y588 PolarHBondContact O-N 2.94Å; R586-Y588 VanDerWaalsContact C-N 3.26Å; R586-Y588 PolarHBondContact O-N 3.5Å; Y588-V590 PolarHBondContact O-N 3.04Å; Y588-L607 HydrophobicContact CD1-CD2 4.5Å; Y588-L607 HydrophobicContact CG-CD2 4.41Å
589N94.9Very high92.7Very high5 Ų558.9 Ų58.93%0.02728%0.281CS..  trans-66132.2179-77.711.3000112.1T564 R566 E571 M585T564-N589 PolarHBondContact N-OD1 3.18Å; T564-N589 VanDerWaalsContact N-OD1 3.12Å; T564-N589 CarbonylContact O-C 3.55Å; T564-N589 WeakPolarHBondContact O-CA 3.43Å; T564-N589 VanDerWaalsContact O-CB 3.32Å; T564-N589 WeakPolarHBondContact O-CB 3.45Å; R566-N589 HydrophobicContact CG-CB 3.75Å; R566-N589 VanDerWaalsContact CZ-O 3.28Å; R566-N589 PolarHBondContact NE-O 3.19Å; R566-N589 PolarHBondContact NH2-O 2.9Å; E571-N589 PolarHBondContact OE2-ND2 3Å; M585-N589 WeakPolarHBondContact CG-OD1 3.05Å; M585-N589 PolarHBondContact O-N 2.98Å; M585-N589 PolarHBondContact O-OD1 3.3Å; M585-N589 VanDerWaalsContact O-OD1 3.12Å
590V94.8Very high92.7Very high4 Ų454.9 Ų54.92%0.02426%0.255CS..BIsolated β-bridgetrans-96.8159.9179.8-68.40000111T564 V565 R566 Y588 A592 D595 Y599 F610T564-V590 PolarHBondContact O-N 2.96Å; V565-V590 CarbonylContact C-O 3.58Å; V565-V590 WeakPolarHBondContact CA-O 3.1Å; V565-V590 HydrophobicContact CG2-CG2 4.34Å; R566-V590 WeakPolarHBondContact CG-O 3.24Å; R566-V590 PolarHBondContact N-O 3.26Å; Y588-V590 PolarHBondContact O-N 3.04Å; V590-A592 WeakPolarHBondContact CG2-O 3.16Å; V590-D595 HydrophobicContact CB-CB 3.94Å; V590-D595 HydrophobicContact CG1-CB 4.16Å; V590-Y599 HydrophobicContact CG1-CD2 4.21Å; V590-Y599 HydrophobicContact CG1-CE2 4.33Å; V590-Y599 HydrophobicContact CG1-CG 4.46Å; V590-F610 HydrophobicContact CG2-CE2 3.61Å; V590-F610 HydrophobicContact CG2-CZ 4.18Å
591P91.1Very high92.7Very high72 Ų7250.6 Ų50.647%0.46823%0.234SC..SBendtrans-79.8-27.4-17932.3-33.7000113.8V565 D595V565-P591 WeakPolarHBondContact CG1-O 3.36Å; P591-D595 WeakPolarHBondContact CD-OD2 3.44Å; P591-D595 WeakPolarHBondContact CG-OD2 3.46Å
592A91Very high92.5Very high35 Ų3553.1 Ų53.129%0.28925%0.248SC..SBendtrans-142.3163.9-179.600000112.6V590 D595V590-A592 WeakPolarHBondContact CG2-O 3.16Å; A592-D595 PolarHBondContact O-N 2.85Å
593T92.3Very high92Very high2 Ų258.5 Ų58.51%0.01228%0.277CS..Hα-helixtrans-56.6-47.4-179-52.20000113.8E290 D595 G596 V597 F610 M612 L616E290-T593 VanDerWaalsContact CD-OG1 3.25Å; E290-T593 PolarHBondContact OE1-OG1 2.92Å; E290-T593 VanDerWaalsContact OE2-CB 3.24Å; E290-T593 WeakPolarHBondContact OE2-CB 3.28Å; E290-T593 PolarHBondContact OE2-OG1 3.48Å; T593-D595 VanDerWaalsContact C-N 3.29Å; T593-D595 PolarHBondContact O-N 2.77Å; T593-G596 PolarHBondContact O-N 3.35Å; T593-G596 VanDerWaalsContact O-N 3.12Å; T593-V597 PolarHBondContact O-N 2.74Å; T593-F610 HydrophobicContact CG2-CE1 4.13Å; T593-M612 HydrophobicContact CG2-CG 4.38Å; T593-L616 HydrophobicContact CG2-CB 4.29Å
594P91.4Very high91.6Very high46 Ų4657.4 Ų57.430%0.29928%0.282SS..Hα-helixtrans-65.6-28.1-175.9-23.436.2000114V597 Q598P594-V597 PolarHBondContact O-N 3.12Å; P594-Q598 WeakPolarHBondContact O-CG 3.32Å; P594-Q598 PolarHBondContact O-N 3.33Å
595D93Very high91.3Very high54 Ų5457.9 Ų57.929%0.28929%0.285SS..Hα-helixtrans-65-40.5174.7-76.4-38.4000111.5V590 P591 A592 T593 V597 Q598 Y599V590-D595 HydrophobicContact CB-CB 3.94Å; V590-D595 HydrophobicContact CG1-CB 4.16Å; P591-D595 WeakPolarHBondContact CD-OD2 3.44Å; P591-D595 WeakPolarHBondContact CG-OD2 3.46Å; A592-D595 PolarHBondContact O-N 2.85Å; T593-D595 VanDerWaalsContact C-N 3.29Å; T593-D595 PolarHBondContact O-N 2.77Å; D595-V597 VanDerWaalsContact C-N 3.32Å; D595-V597 PolarHBondContact O-N 2.73Å; D595-Q598 PolarHBondContact O-N 3.3Å; D595-Y599 WeakPolarHBondContact O-CB 3.42Å; D595-Y599 WeakPolarHBondContact O-CD1 3.46Å; D595-Y599 PolarHBondContact O-N 2.69Å
596G92.9Very high91.1Very high0 Ų062.2 Ų62.20%030%0.304CS..Hα-helixtrans-61.3-43.3175.800000111.6T593 Y599 L600T593-G596 PolarHBondContact O-N 3.35Å; T593-G596 VanDerWaalsContact O-N 3.12Å; G596-Y599 PolarHBondContact O-N 3Å; G596-L600 PolarHBondContact O-N 3.35Å
597V93.1Very high91.1Very high5 Ų555.4 Ų55.43%0.0328%0.279CS..Hα-helixtrans-61.9-46.9174.7177.10000111.6L424 T593 P594 D595 Y599 L600 K601 E620 L629L424-V597 HydrophobicContact CD2-CG2 3.87Å; T593-V597 PolarHBondContact O-N 2.74Å; P594-V597 PolarHBondContact O-N 3.12Å; D595-V597 VanDerWaalsContact C-N 3.32Å; D595-V597 PolarHBondContact O-N 2.73Å; V597-Y599 VanDerWaalsContact C-N 3.28Å; V597-Y599 PolarHBondContact O-N 2.77Å; V597-L600 PolarHBondContact O-N 2.04Å; V597-K601 HydrophobicContact CG1-CD 4.29Å; V597-K601 PolarHBondContact O-N 3.18Å; V597-E620 HydrophobicContact CG2-CB 4.03Å; V597-E620 HydrophobicContact CG2-CG 3.82Å; V597-L629 HydrophobicContact CG1-CD1 3.89Å
598Q92.5Very high91Very high117 Ų11748.1 Ų48.155%0.54725%0.252SS..Hα-helixtrans-60.8-37.8174.3-72.7-173.727.400111.8P594 D595 L600 K601 N602P594-Q598 WeakPolarHBondContact O-CG 3.32Å; P594-Q598 PolarHBondContact O-N 3.33Å; D595-Q598 PolarHBondContact O-N 3.3Å; Q598-L600 VanDerWaalsContact C-N 3.25Å; Q598-L600 PolarHBondContact O-N 3.2Å; Q598-K601 PolarHBondContact O-N 2.78Å; Q598-K601 VanDerWaalsContact O-N 3.12Å; Q598-N602 PolarHBondContact O-N 3.02Å; Q598-N602 PolarHBondContact O-ND2 2.83Å
599Y94.4Very high91Very high83 Ų8344.4 Ų44.433%0.32524%0.238SC..Hα-helixtrans-68.2-23.6-178.8-84.242.3000113.1V590 D595 G596 V597 K606 L607V590-Y599 HydrophobicContact CG1-CD2 4.21Å; V590-Y599 HydrophobicContact CG1-CE2 4.33Å; V590-Y599 HydrophobicContact CG1-CG 4.46Å; D595-Y599 WeakPolarHBondContact O-CB 3.42Å; D595-Y599 WeakPolarHBondContact O-CD1 3.46Å; D595-Y599 PolarHBondContact O-N 2.69Å; G596-Y599 PolarHBondContact O-N 3Å; V597-Y599 VanDerWaalsContact C-N 3.28Å; V597-Y599 PolarHBondContact O-N 2.77Å; Y599-K606 HydrophobicContact CD1-CD 4.01Å; Y599-K606 HydrophobicContact CD2-CB 3.72Å; Y599-K606 HydrophobicContact CD2-CD 3.63Å; Y599-K606 HydrophobicContact CD2-CG 4.36Å; Y599-K606 HydrophobicContact CE1-CD 4.14Å; Y599-K606 HydrophobicContact CE2-CB 4.48Å; Y599-K606 HydrophobicContact CE2-CD 3.74Å; Y599-K606 HydrophobicContact CG-CB 3.99Å; Y599-K606 HydrophobicContact CG-CD 3.78Å; Y599-K606 PolarHBondContact O-N 2.88Å; Y599-L607 PolarHBondContact O-N 2.86Å; Y599-L607 VanDerWaalsContact O-N 3.16Å
600L91.9Very high91Very high0 Ų044.1 Ų44.10%024%0.236CC..Hα-helixtrans-77.2-43.4165.5-65.9172000112.4L424 R426 G596 V597 Q598 N602 L607 F610 L629L424-L600 HydrophobicContact CB-CD1 4.13Å; L424-L600 HydrophobicContact CD2-CD1 3.64Å; L424-L600 HydrophobicContact CG-CD1 3.69Å; R426-L600 WeakPolarHBondContact CD-O 3.35Å; G596-L600 PolarHBondContact O-N 3.35Å; V597-L600 PolarHBondContact O-N 2.04Å; Q598-L600 VanDerWaalsContact C-N 3.25Å; Q598-L600 PolarHBondContact O-N 3.2Å; L600-N602 PolarHBondContact O-N 3.46Å; L600-L607 HydrophobicContact CD2-CB 3.81Å; L600-L607 HydrophobicContact CG-CB 4.36Å; L600-F610 HydrophobicContact CD1-CB 3.86Å; L600-F610 HydrophobicContact CG-CB 4.34Å; L600-L629 HydrophobicContact CD1-CD2 4.43Å
601K90.5Very high91Very high70 Ų7044 Ų4430%0.30424%0.235SC..Hα-helixtrans-74.8-19.2-176-66.1-172.8-169.3-174.20114.9V597 Q598 D624 L629V597-K601 HydrophobicContact CG1-CD 4.29Å; V597-K601 PolarHBondContact O-N 3.18Å; Q598-K601 PolarHBondContact O-N 2.78Å; Q598-K601 VanDerWaalsContact O-N 3.12Å; K601-D624 WeakPolarHBondContact CE-OD1 3.41Å; K601-D624 IonicContact NZ-OD1 2.59Å; K601-D624 PolarHBondContact NZ-OD1 2.88Å; K601-L629 HydrophobicContact CG-CD2 4.4Å
602N89.3Confident91.2Very high59 Ų5940.5 Ų40.532%0.31621%0.213SC..SBendtrans-58.1148.6176.5-87.5-69.8000112.1R426 Q598 L600 P604 E605R426-N602 PolarHBondContact NH1-O 2.98Å; Q598-N602 PolarHBondContact O-N 3.02Å; Q598-N602 PolarHBondContact O-ND2 2.83Å; L600-N602 PolarHBondContact O-N 3.46Å; N602-P604 CarbonylContact O-C 3.29Å; N602-P604 VanDerWaalsContact O-C 3.29Å; N602-E605 WeakPolarHBondContact O-CA 3.2Å; N602-E605 WeakPolarHBondContact O-CG 3.09Å; N602-E605 PolarHBondContact O-N 2.98Å
603D82.7Confident91.4Very high120 Ų12038.9 Ų38.964%0.64220%0.199SC*.SBendtrans-124.5112.6171.6-79.4-46.7000110.4R426R426-D603 IonicContact CZ-OD1 2.82Å; R426-D603 IonicContact CZ-OD2 3.19Å; R426-D603 IonicContact NH1-OD1 2.65Å; R426-D603 PolarHBondContact NH1-OD1 3.46Å; R426-D603 IonicContact NH1-OD2 2.64Å; R426-D603 IonicContact NH2-OD1 3.24Å; R426-D603 PolarHBondContact NH2-OD1 3.29Å; R426-D603 IonicContact NH2-OD2 4Å; R426-D603 PolarHBondContact NH2-OD2 2.85Å
604P84.1Confident91.4Very high121 Ų12141.2 Ų41.279%0.78621%0.209SC*.SBendcis-69.4145.6-1.330.7-35.9000113.1N602N602-P604 CarbonylContact O-C 3.29Å; N602-P604 VanDerWaalsContact O-C 3.29Å
605E85.3Confident91.4Very high29 Ų2939.4 Ų39.414%0.13620%0.198CC..  trans-57.2136.4179.5-57.6174-127.800110.9R426 R428 R561 N602R426-E605 VanDerWaalsContact NH1-CG 3.34Å; R426-E605 IonicContact NH1-OE1 3.89Å; R428-E605 IonicContact CZ-OE1 3.75Å; R428-E605 IonicContact CZ-OE2 3.3Å; R428-E605 IonicContact NE-OE1 3.53Å; R428-E605 PolarHBondContact NE-OE1 3.46Å; R428-E605 IonicContact NE-OE2 2.96Å; R428-E605 IonicContact NH2-OE1 2.7Å; R428-E605 PolarHBondContact NH2-OE1 3.45Å; R428-E605 IonicContact NH2-OE2 3.4Å; R428-E605 PolarHBondContact NH2-OE2 3.45Å; R561-E605 VanDerWaalsContact CZ-O 3.31Å; R561-E605 PolarHBondContact NH1-O 3.21Å; R561-E605 PolarHBondContact NH2-O 3.09Å; R561-E605 VanDerWaalsContact NH2-O 3.08Å; N602-E605 WeakPolarHBondContact O-CA 3.2Å; N602-E605 WeakPolarHBondContact O-CG 3.09Å; N602-E605 PolarHBondContact O-N 2.98Å
606K90.5Very high91.4Very high92 Ų9236.9 Ų36.940%0.418%0.184SC..SBendtrans-92.6-36.9178.8-68.2178.1-177.6169.40112.2R561 Y599R561-K606 PolarHBondContact NH1-O 3.37Å; R561-K606 VanDerWaalsContact NH1-O 3.12Å; Y599-K606 HydrophobicContact CD1-CD 4.01Å; Y599-K606 HydrophobicContact CD2-CB 3.72Å; Y599-K606 HydrophobicContact CD2-CD 3.63Å; Y599-K606 HydrophobicContact CD2-CG 4.36Å; Y599-K606 HydrophobicContact CE1-CD 4.14Å; Y599-K606 HydrophobicContact CE2-CB 4.48Å; Y599-K606 HydrophobicContact CE2-CD 3.74Å; Y599-K606 HydrophobicContact CG-CB 3.99Å; Y599-K606 HydrophobicContact CG-CD 3.78Å; Y599-K606 PolarHBondContact O-N 2.88Å
607L91.9Very high91.3Very high1 Ų136.9 Ų36.91%0.00518%0.184CC..  trans-109.6152.9169.2-71.8174.5000108.8Y588 Y599 L600 F610Y588-L607 HydrophobicContact CD1-CD2 4.5Å; Y588-L607 HydrophobicContact CG-CD2 4.41Å; Y599-L607 PolarHBondContact O-N 2.86Å; Y599-L607 VanDerWaalsContact O-N 3.16Å; L600-L607 HydrophobicContact CD2-CB 3.81Å; L600-L607 HydrophobicContact CG-CB 4.36Å; L607-F610 HydrophobicContact CD1-CB 4.36Å; L607-F610 HydrophobicContact CD1-CD2 4.19Å
608D90.9Very high91.2Very high17 Ų1739.3 Ų39.39%0.09120%0.197CC..SBendtrans-103.3-24.3167.7-54.3-69.8000111.3R428 F560 R561R428-D608 IonicContact NH2-OD1 2.66Å; R428-D608 PolarHBondContact NH2-OD1 3.16Å; F560-D608 HydrophobicContact CD2-CB 3.79Å; F560-D608 HydrophobicContact CE1-CB 4.39Å; F560-D608 HydrophobicContact CE2-CB 3.47Å; F560-D608 VanDerWaalsContact CE2-CB 3.47Å; F560-D608 HydrophobicContact CG-CB 4.38Å; F560-D608 HydrophobicContact CZ-CB 3.8Å; R561-D608 WeakPolarHBondContact CB-OD2 3Å; R561-D608 IonicContact CZ-OD1 2.69Å; R561-D608 IonicContact CZ-OD2 2.69Å; R561-D608 PolarHBondContact N-OD2 3.45Å; R561-D608 IonicContact NE-OD1 2.78Å; R561-D608 IonicContact NE-OD2 3.43Å; R561-D608 PolarHBondContact NE-OD2 2.85Å; R561-D608 VanDerWaalsContact NH2-CG 3.32Å; R561-D608 IonicContact NH2-OD1 3.35Å; R561-D608 PolarHBondContact NH2-OD1 3.46Å; R561-D608 IonicContact NH2-OD2 2.8Å; R561-D608 PolarHBondContact NH2-OD2 3.46Å; R561-D608 PolarHBondContact O-N 2.92Å
609A92.7Very high91.1Very high0 Ų034.8 Ų34.80%018%0.176CC..EExtended strand (participates in β ladder)trans-145.4156.9169.400000112.4I423 L424 V425 L545 F560 R561 F562I423-A609 HydrophobicContact CG2-CB 3.9Å; L424-A609 WeakPolarHBondContact O-CA 3.31Å; V425-A609 HydrophobicContact CG1-CB 3.84Å; L545-A609 HydrophobicContact CD1-CB 3.74Å; F560-A609 HydrophobicContact CE1-CB 3.73Å; F560-A609 HydrophobicContact CZ-CB 3.79Å; R561-A609 PolarHBondContact O-N 3.25Å; R561-A609 VanDerWaalsContact O-N 3.15Å; F562-A609 VanDerWaalsContact CA-O 3.27Å; F562-A609 WeakPolarHBondContact CA-O 3.25Å; F562-A609 HydrophobicContact CB-CB 4.16Å
610F95.1Very high90.9Very high0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-133.7131.5177.2177.6-120.3000110.2I423 L424 G563 V565 V590 T593 L600 L607 M612 L617I423-F610 CarbonylContact C-O 3.56Å; I423-F610 WeakPolarHBondContact CA-O 3.31Å; L424-F610 HydrophobicContact CB-CB 4.37Å; L424-F610 HydrophobicContact CB-CD1 4.5Å; L424-F610 HydrophobicContact CD2-CD1 4.31Å; L424-F610 PolarHBondContact N-O 3.04Å; L424-F610 PolarHBondContact O-N 3.12Å; G563-F610 WeakPolarHBondContact O-CD2 3.45Å; V565-F610 HydrophobicContact CG2-CE2 4.3Å; V565-F610 HydrophobicContact CG2-CZ 3.82Å; V590-F610 HydrophobicContact CG2-CE2 3.61Å; V590-F610 HydrophobicContact CG2-CZ 4.18Å; T593-F610 HydrophobicContact CG2-CE1 4.13Å; L600-F610 HydrophobicContact CD1-CB 3.86Å; L600-F610 HydrophobicContact CG-CB 4.34Å; L607-F610 HydrophobicContact CD1-CB 4.36Å; L607-F610 HydrophobicContact CD1-CD2 4.19Å; F610-M612 HydrophobicContact CD1-CB 4.47Å; F610-M612 HydrophobicContact CE1-CB 3.9Å; F610-M612 HydrophobicContact CE1-CG 4.4Å; F610-M612 HydrophobicContact CZ-CB 4.17Å; F610-M612 HydrophobicContact CZ-CG 4.42Å; F610-L617 HydrophobicContact CD1-CD2 3.87Å; F610-L617 HydrophobicContact CE1-CD2 3.97Å
611I95.4Very high90.7Very high0 Ų033.2 Ų33.20%017%0.173CC..EExtended strand (participates in β ladder)trans-109.1123.6-175.9-53.7179000108.9I423 I548 F562 G563 T564 M585 F636I423-I611 HydrophobicContact CG1-CG1 4.36Å; I423-I611 HydrophobicContact CG2-CG1 4.44Å; I548-I611 HydrophobicContact CD1-CD1 4.19Å; F562-I611 HydrophobicContact CD2-CD1 4.21Å; G563-I611 PolarHBondContact O-N 3.46Å; T564-I611 WeakPolarHBondContact CA-O 3.39Å; T564-I611 WeakPolarHBondContact CB-O 3.48Å; T564-I611 PolarHBondContact OG1-O 3.21Å; M585-I611 HydrophobicContact SD-CD1 4.42Å; I611-F636 HydrophobicContact CG2-CZ 4.1Å
612M94.9Very high90.5Very high0 Ų030.9 Ų30.90%017%0.166CC..EExtended strand (participates in β ladder)trans-161.8170.9179.6-160.755.3-177.500110.8Y373 G422 V565 A570 T593 F610 K614 L616 L617Y373-M612 HydrophobicContact CE2-CE 3.91Å; G422-M612 PolarHBondContact N-O 2.94Å; G422-M612 PolarHBondContact O-N 2.98Å; V565-M612 HydrophobicContact CB-CE 3.87Å; V565-M612 HydrophobicContact CB-SD 3.81Å; V565-M612 HydrophobicContact CG1-CE 4.41Å; V565-M612 HydrophobicContact CG2-CE 3.66Å; V565-M612 HydrophobicContact CG2-CG 4.41Å; V565-M612 HydrophobicContact CG2-SD 3.56Å; V565-M612 VanDerWaalsContact CG2-SD 3.56Å; A570-M612 HydrophobicContact CB-SD 4.41Å; T593-M612 HydrophobicContact CG2-CG 4.38Å; F610-M612 HydrophobicContact CD1-CB 4.47Å; F610-M612 HydrophobicContact CE1-CB 3.9Å; F610-M612 HydrophobicContact CE1-CG 4.4Å; F610-M612 HydrophobicContact CZ-CB 4.17Å; F610-M612 HydrophobicContact CZ-CG 4.42Å; M612-K614 PolarHBondContact O-N 2.8Å; M612-L616 HydrophobicContact CE-CD1 3.96Å; M612-L616 HydrophobicContact CG-CD1 4.24Å; M612-L617 HydrophobicContact CB-CD1 4.22Å; M612-L617 HydrophobicContact CB-CD2 3.79Å; M612-L617 HydrophobicContact CB-CG 4.04Å; M612-L617 WeakPolarHBondContact O-CD1 3.34Å
613D94.3Very high90.4Very high1 Ų130.7 Ų30.71%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-56120.6174.4-62.933.5000110.9S401 L421 S569 A615 L616 L617 Y641S401-D613 PolarHBondContact OG-OD2 3.22Å; L421-D613 VanDerWaalsContact CD2-OD1 3.25Å; L421-D613 WeakPolarHBondContact CD2-OD1 3.41Å; S569-D613 PolarHBondContact OG-OD1 3.12Å; S569-D613 PolarHBondContact OG-OD2 2.7Å; D613-A615 PolarHBondContact O-N 3.43Å; D613-A615 VanDerWaalsContact O-N 3.13Å; D613-L616 HydrophobicContact CB-CD1 4.4Å; D613-L616 WeakPolarHBondContact O-CB 3.13Å; D613-L616 PolarHBondContact O-N 2.84Å; D613-L617 PolarHBondContact O-N 2.66Å; D613-Y641 WeakPolarHBondContact CB-OH 3.49Å; D613-Y641 WeakPolarHBondContact OD2-CE1 3.38Å
614K92.4Very high90.5Very high51 Ų5125.3 Ų25.322%0.22214%0.135CC..Hα-helixtrans-56.8-32.1-171.1-168.6-167.1-172.7-53.70112.8S420 M612 L616 L617 D618 P635S420-K614 WeakPolarHBondContact O-CB 3.49Å; S420-K614 PolarHBondContact O-N 2.98Å; M612-K614 PolarHBondContact O-N 2.8Å; K614-L616 PolarHBondContact O-N 3.06Å; K614-L617 PolarHBondContact O-N 3.05Å; K614-D618 IonicContact NZ-OD1 2.77Å; K614-D618 PolarHBondContact NZ-OD1 2.87Å; K614-D618 IonicContact NZ-OD2 3.75Å; K614-D618 PolarHBondContact NZ-OD2 3.05Å; K614-D618 WeakPolarHBondContact O-CB 3.16Å; K614-D618 VanDerWaalsContact O-CG 3.26Å; K614-D618 PolarHBondContact O-N 3.36Å; K614-P635 HydrophobicContact CD-CB 4.29Å; K614-P635 HydrophobicContact CD-CG 3.95Å
615A91.9Very high90.4Very high7 Ų723.1 Ų23.16%0.05813%0.128CC..Hα-helixtrans-61.1-29.8176.500000113.6F293 F417 T419 D613 Y641 Y676F293-A615 HydrophobicContact CE2-CB 4.41Å; F293-A615 HydrophobicContact CZ-CB 4.43Å; F417-A615 HydrophobicContact CD1-CB 4.28Å; F417-A615 HydrophobicContact CE1-CB 3.54Å; F417-A615 HydrophobicContact CZ-CB 4.23Å; T419-A615 WeakPolarHBondContact OG1-CB 3.42Å; D613-A615 PolarHBondContact O-N 3.43Å; D613-A615 VanDerWaalsContact O-N 3.13Å; A615-Y641 HydrophobicContact CB-CE2 4.09Å; A615-Y676 WeakPolarHBondContact O-CE1 3.2Å; A615-Y676 PolarHBondContact O-OH 3.37Å
616L92.4Very high90.1Very high1 Ų127.3 Ų27.31%0.00515%0.151CC..Hα-helixtrans-82-42.9173.5-55.2172.4000110.2E290 H291 F293 T593 M612 D613 K614 D618 Y619 E620E290-L616 HydrophobicContact CB-CD2 4.32Å; H291-L616 VanDerWaalsContact O-CD2 3.3Å; H291-L616 WeakPolarHBondContact O-CD2 3.45Å; F293-L616 HydrophobicContact CD2-CD2 3.76Å; F293-L616 HydrophobicContact CE2-CD2 3.91Å; T593-L616 HydrophobicContact CG2-CB 4.29Å; M612-L616 HydrophobicContact CE-CD1 3.96Å; M612-L616 HydrophobicContact CG-CD1 4.24Å; D613-L616 HydrophobicContact CB-CD1 4.4Å; D613-L616 WeakPolarHBondContact O-CB 3.13Å; D613-L616 PolarHBondContact O-N 2.84Å; K614-L616 PolarHBondContact O-N 3.06Å; L616-D618 PolarHBondContact O-N 3.45Å; L616-Y619 WeakPolarHBondContact O-CB 3.39Å; L616-Y619 PolarHBondContact O-N 3.39Å; L616-E620 PolarHBondContact O-N 2.94Å
617L92.1Very high89.8Confident0 Ų025.1 Ų25.10%015%0.146CC..Hα-helixtrans-64.2-39.4-179.9-59.7-177.1000113.2L424 F610 M612 D613 K614 Y619 E620 V621 T631L424-L617 HydrophobicContact CB-CD1 4.1Å; L424-L617 HydrophobicContact CB-CD2 3.87Å; L424-L617 HydrophobicContact CB-CG 4.43Å; L424-L617 HydrophobicContact CD2-CD2 4.04Å; L424-L617 HydrophobicContact CG-CD2 4.44Å; F610-L617 HydrophobicContact CD1-CD2 3.87Å; F610-L617 HydrophobicContact CE1-CD2 3.97Å; M612-L617 HydrophobicContact CB-CD1 4.22Å; M612-L617 HydrophobicContact CB-CD2 3.79Å; M612-L617 HydrophobicContact CB-CG 4.04Å; M612-L617 WeakPolarHBondContact O-CD1 3.34Å; D613-L617 PolarHBondContact O-N 2.66Å; K614-L617 PolarHBondContact O-N 3.05Å; L617-Y619 VanDerWaalsContact C-N 3.27Å; L617-Y619 PolarHBondContact O-N 3.41Å; L617-E620 PolarHBondContact O-N 3.2Å; L617-V621 WeakPolarHBondContact O-CB 3.36Å; L617-V621 VanDerWaalsContact O-CG2 3.28Å; L617-V621 WeakPolarHBondContact O-CG2 3.14Å; L617-V621 PolarHBondContact O-N 3.38Å; L617-T631 HydrophobicContact CB-CG2 3.64Å; L617-T631 HydrophobicContact CD1-CG2 4.44Å
618D89.6Confident89.4Confident57 Ų5727.9 Ų27.931%0.30516%0.159SC..Hα-helixtrans-64.4-32.8176.4-74.1-12.4000111.6K614 L616 S622K614-D618 IonicContact NZ-OD1 2.77Å; K614-D618 PolarHBondContact NZ-OD1 2.87Å; K614-D618 IonicContact NZ-OD2 3.75Å; K614-D618 PolarHBondContact NZ-OD2 3.05Å; K614-D618 WeakPolarHBondContact O-CB 3.16Å; K614-D618 VanDerWaalsContact O-CG 3.26Å; K614-D618 PolarHBondContact O-N 3.36Å; L616-D618 PolarHBondContact O-N 3.45Å; D618-S622 WeakPolarHBondContact O-CB 3.34Å; D618-S622 PolarHBondContact O-N 3.3Å
619Y90.4Very high89.2Confident22 Ų2227.6 Ų27.69%0.08616%0.157CC..Hα-helixtrans-71.5-46.8174.2177.5-101.8000111.3H291 P292 F295 L616 L617 V621 S622 I623H291-Y619 HydrophobicContact CB-CD1 4.05Å; H291-Y619 HydrophobicContact CB-CE1 3.57Å; P292-Y619 HydrophobicContact CB-CD1 4.38Å; P292-Y619 HydrophobicContact CB-CD2 3.79Å; P292-Y619 HydrophobicContact CB-CE1 4.3Å; P292-Y619 HydrophobicContact CB-CE2 3.7Å; P292-Y619 HydrophobicContact CB-CG 4.15Å; P292-Y619 HydrophobicContact CG-CD1 4.47Å; P292-Y619 HydrophobicContact CG-CD2 3.78Å; P292-Y619 HydrophobicContact CG-CE2 4.22Å; P292-Y619 HydrophobicContact CG-CG 3.93Å; F295-Y619 WeakPolarHBondContact CZ-OH 3.02Å; L616-Y619 WeakPolarHBondContact O-CB 3.39Å; L616-Y619 PolarHBondContact O-N 3.39Å; L617-Y619 VanDerWaalsContact C-N 3.27Å; L617-Y619 PolarHBondContact O-N 3.41Å; Y619-V621 PolarHBondContact O-N 3.44Å; Y619-S622 PolarHBondContact O-N 3.25Å; Y619-S622 PolarHBondContact O-OG 2.93Å; Y619-I623 HydrophobicContact CD1-CD1 4.23Å; Y619-I623 HydrophobicContact CD2-CG2 4.23Å; Y619-I623 HydrophobicContact CE1-CD1 3.76Å; Y619-I623 HydrophobicContact CE1-CG2 4.21Å; Y619-I623 HydrophobicContact CE2-CG2 3.76Å; Y619-I623 WeakPolarHBondContact O-CG1 3.07Å; Y619-I623 PolarHBondContact O-N 2.94Å
620E90.1Very high88.9Confident20 Ų2029.3 Ų29.39%0.09317%0.166CC..Hα-helixtrans-62.8-29175.5-74.9-73166.500113.2V597 L616 L617V597-E620 HydrophobicContact CG2-CB 4.03Å; V597-E620 HydrophobicContact CG2-CG 3.82Å; L616-E620 PolarHBondContact O-N 2.94Å; L617-E620 PolarHBondContact O-N 3.2Å
621V88.7Confident88.6Confident30 Ų3031.3 Ų31.318%0.18218%0.178CC..Hα-helixtrans-73.1-41.6167.6169.70000111.7L424 L617 Y619 I623 D624 L629 T631L424-V621 HydrophobicContact CD1-CG2 3.43Å; L424-V621 VanDerWaalsContact CD1-CG2 3.43Å; L617-V621 WeakPolarHBondContact O-CB 3.36Å; L617-V621 VanDerWaalsContact O-CG2 3.28Å; L617-V621 WeakPolarHBondContact O-CG2 3.14Å; L617-V621 PolarHBondContact O-N 3.38Å; Y619-V621 PolarHBondContact O-N 3.44Å; V621-I623 VanDerWaalsContact C-N 3.35Å; V621-I623 PolarHBondContact O-N 3.12Å; V621-D624 PolarHBondContact O-N 2.88Å; V621-L629 HydrophobicContact CG2-CB 3.87Å; V621-T631 HydrophobicContact CG2-CG2 4.32Å
622S85.2Confident88.2Confident21 Ų2131.6 Ų31.615%0.14718%0.18CC..Hα-helixtrans-65.9-38.1-175.2810000112.2D618 Y619 P680 C681D618-S622 WeakPolarHBondContact O-CB 3.34Å; D618-S622 PolarHBondContact O-N 3.3Å; Y619-S622 PolarHBondContact O-N 3.25Å; Y619-S622 PolarHBondContact O-OG 2.93Å; S622-P680 WeakPolarHBondContact O-CD 3.39Å; S622-P680 WeakPolarHBondContact O-CG 3.34Å; S622-C681 PolarHBondContact O-N 2.76Å
623I87.3Confident87.6Confident54 Ų5433.1 Ų33.128%0.27720%0.195SC..THydrogen-bonded Turntrans-84.4-5.2-178.871.5-178.8000114.9Y619 V621 A625 V678Y619-I623 HydrophobicContact CD1-CD1 4.23Å; Y619-I623 HydrophobicContact CD2-CG2 4.23Å; Y619-I623 HydrophobicContact CE1-CD1 3.76Å; Y619-I623 HydrophobicContact CE1-CG2 4.21Å; Y619-I623 HydrophobicContact CE2-CG2 3.76Å; Y619-I623 WeakPolarHBondContact O-CG1 3.07Å; Y619-I623 PolarHBondContact O-N 2.94Å; V621-I623 VanDerWaalsContact C-N 3.35Å; V621-I623 PolarHBondContact O-N 3.12Å; I623-A625 PolarHBondContact O-N 2.9Å; I623-V678 HydrophobicContact CG2-CB 4.45Å; I623-V678 HydrophobicContact CG2-CG1 4.15Å
624D85.6Confident87.2Confident7 Ų741.8 Ų41.84%0.03723%0.233CC..  trans-62.5128.6-173.7-171.234.1000112.3K601 V621 C627 K628 L629 C681K601-D624 WeakPolarHBondContact CE-OD1 3.41Å; K601-D624 IonicContact NZ-OD1 2.59Å; K601-D624 PolarHBondContact NZ-OD1 2.88Å; V621-D624 PolarHBondContact O-N 2.88Å; D624-C627 WeakPolarHBondContact OD2-CA 3.06Å; D624-C627 PolarHBondContact OD2-N 3.18Å; D624-K628 PolarHBondContact OD2-N 2.84Å; D624-L629 PolarHBondContact OD2-N 3.42Å; D624-C681 PolarHBondContact O-SG 2.98Å
625A82.3Confident86.8Confident76 Ų7642.5 Ų42.563%0.62824%0.243SC*.SBendtrans-70.9-36.8-176.600000112.4I623I623-A625 PolarHBondContact O-N 2.9Å
626D78.8Confident86.7Confident116 Ų11643.3 Ų43.362%0.6225%0.245SC*.SBendtrans-87.8-12.8-177.9-69-37000113.3K628D626-K628 HydrophobicContact CB-CB 4.37Å; D626-K628 HydrophobicContact CB-CD 4.3Å; D626-K628 HydrophobicContact CB-CG 3.96Å; D626-K628 PolarHBondContact O-N 2.95Å
627C82.8Confident86.6Confident46 Ų4644.3 Ų44.331%0.31125%0.254SS..  trans5041.5-169.4-56.50000113.7D624 C681D624-C627 WeakPolarHBondContact OD2-CA 3.06Å; D624-C627 PolarHBondContact OD2-N 3.18Å; C627-C681 WeakPolarHBondContact CA-SG 3.31Å; C627-C681 HydrophobicContact CB-CB 3.96Å; C627-C681 WeakPolarHBondContact CB-SG 3.48Å; C627-C681 WeakPolarHBondContact SG-CA 3.15Å; C627-C681 WeakPolarHBondContact SG-CB 3.5Å; C627-C681 CovalentContact SG-SG 2.04Å; C627-C681 PolarHBondContact SG-SG 3.36Å
628K84.1Confident86.4Confident60 Ų6051.1 Ų51.126%0.26129%0.289SS..  trans-104.1-4.3178.1-66.7-167.9-175.1-1650113.8R426 T427 D429 D624 D626R426-K628 CarbonylContact C-O 3.46Å; R426-K628 VanDerWaalsContact CA-O 3.32Å; R426-K628 WeakPolarHBondContact CA-O 3.48Å; R426-K628 HydrophobicContact CG-CB 4.43Å; T427-K628 PolarHBondContact N-O 2.81Å; T427-K628 WeakPolarHBondContact OG1-CA 3.24Å; T427-K628 WeakPolarHBondContact OG1-CB 3.48Å; T427-K628 PolarHBondContact OG1-O 3.44Å; D429-K628 IonicContact OD1-NZ 2.66Å; D429-K628 IonicContact OD2-NZ 2.62Å; D429-K628 PolarHBondContact OD2-NZ 3.4Å; D624-K628 PolarHBondContact OD2-N 2.84Å; D626-K628 HydrophobicContact CB-CB 4.37Å; D626-K628 HydrophobicContact CB-CD 4.3Å; D626-K628 HydrophobicContact CB-CG 3.96Å; D626-K628 PolarHBondContact O-N 2.95Å
629L87.5Confident86.5Confident10 Ų1049.6 Ų49.65%0.05228%0.28CS..EExtended strand (participates in β ladder)trans-87.4144.7168.3-64.7-176.9000112L424 R426 V597 L600 K601 V621 D624L424-L629 HydrophobicContact CD1-CB 4.07Å; L424-L629 HydrophobicContact CD1-CD1 4.4Å; L424-L629 HydrophobicContact CD2-CD1 4.19Å; L424-L629 HydrophobicContact CD2-CD2 4.48Å; L424-L629 HydrophobicContact CG-CD2 4.45Å; R426-L629 HydrophobicContact CB-CD2 4.49Å; V597-L629 HydrophobicContact CG1-CD1 3.89Å; L600-L629 HydrophobicContact CD1-CD2 4.43Å; K601-L629 HydrophobicContact CG-CD2 4.4Å; V621-L629 HydrophobicContact CG2-CB 3.87Å; D624-L629 PolarHBondContact OD2-N 3.42Å
630L86.6Confident86.7Confident37 Ų3749.1 Ų49.119%0.19428%0.282CS..EExtended strand (participates in β ladder)trans-144.3150.9163.669.3155.4000112V425 T427 E543 V632V425-L630 HydrophobicContact CG2-CD2 3.79Å; V425-L630 HydrophobicContact CG2-CG 3.91Å; V425-L630 PolarHBondContact N-O 3.37Å; V425-L630 PolarHBondContact O-N 3.01Å; T427-L630 HydrophobicContact CG2-CD2 3.4Å; E543-L630 HydrophobicContact CG-CD1 4.32Å; L630-V632 HydrophobicContact CD1-CG1 3.48Å; L630-V632 VanDerWaalsContact CD1-CG1 3.48Å; L630-V632 HydrophobicContact CG-CG1 3.81Å
631T88.9Confident86.9Confident41 Ų4148.2 Ų48.225%0.25228%0.277SS..EExtended strand (participates in β ladder)trans-84.3130.8163.652.30000110.3I423 L424 L617 V621I423-T631 CarbonylContact O-C 3.5Å; I423-T631 VanDerWaalsContact O-CA 3.24Å; I423-T631 WeakPolarHBondContact O-CA 3.3Å; L424-T631 HydrophobicContact CD1-CG2 4.43Å; L617-T631 HydrophobicContact CB-CG2 3.64Å; L617-T631 HydrophobicContact CD1-CG2 4.44Å; V621-T631 HydrophobicContact CG2-CG2 4.32Å
632V86.8Confident87.3Confident6 Ų646.8 Ų46.84%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-118.1154-175.9-71.90000113.9I423 V425 E543 L545 L630I423-V632 HydrophobicContact CB-CG2 4.06Å; I423-V632 HydrophobicContact CG2-CG2 4.17Å; I423-V632 PolarHBondContact O-N 3.35Å; V425-V632 HydrophobicContact CG1-CG2 3.83Å; V425-V632 HydrophobicContact CG2-CB 4.37Å; V425-V632 HydrophobicContact CG2-CG1 3.56Å; V425-V632 HydrophobicContact CG2-CG2 3.86Å; E543-V632 HydrophobicContact CB-CG1 4.12Å; E543-V632 HydrophobicContact CG-CG1 3.97Å; L545-V632 HydrophobicContact CB-CG2 4.13Å; L630-V632 HydrophobicContact CD1-CG1 3.48Å; L630-V632 VanDerWaalsContact CD1-CG1 3.48Å; L630-V632 HydrophobicContact CG-CG1 3.81Å
633G82.8Confident87.9Confident32 Ų3245.8 Ų45.833%0.3326%0.262SS..EExtended strand (participates in β ladder)trans76.4-179.8179.700000114.4S546S546-G633 WeakPolarHBondContact O-CA 3.41Å
634K85.9Confident88.3Confident183 Ų18343.2 Ų43.280%0.79625%0.248SC*.EExtended strand (participates in β ladder)trans-78.6139.2173.5-65.7-177.3-179.3-179.60110
635P83.6Confident88.9Confident67 Ų6742.9 Ų42.944%0.43525%0.247SC..EExtended strand (participates in β ladder)trans-61.1143172.1-15.828.4000110.9S420 K614S420-P635 VanDerWaalsContact OG-CB 3.24Å; S420-P635 WeakPolarHBondContact OG-CB 3.37Å; K614-P635 HydrophobicContact CD-CB 4.29Å; K614-P635 HydrophobicContact CD-CG 3.95Å
636F89.4Confident89.5Confident23 Ų2340.8 Ų40.810%0.10123%0.227CC..EExtended strand (participates in β ladder)trans-134.6165-179.160.4-83.1000109L421 I423 I548 Y573 I611L421-F636 WeakPolarHBondContact CA-O 3.42Å; L421-F636 HydrophobicContact CB-CD2 3.88Å; L421-F636 HydrophobicContact CB-CE1 4.19Å; L421-F636 HydrophobicContact CB-CE2 3.48Å; L421-F636 VanDerWaalsContact CB-CE2 3.48Å; L421-F636 HydrophobicContact CB-CG 4.41Å; L421-F636 HydrophobicContact CB-CZ 3.64Å; L421-F636 WeakPolarHBondContact CB-O 3.47Å; L421-F636 HydrophobicContact CD1-CD2 4.34Å; L421-F636 HydrophobicContact CD1-CE2 3.79Å; L421-F636 HydrophobicContact CG-CE2 4.29Å; L421-F636 PolarHBondContact N-O 3.36Å; L421-F636 WeakPolarHBondContact O-CD1 3.27Å; L421-F636 PolarHBondContact O-N 2.94Å; I423-F636 HydrophobicContact CD1-CE1 4.38Å; I423-F636 HydrophobicContact CG1-CE1 4.05Å; I548-F636 HydrophobicContact CB-CD1 3.86Å; I548-F636 HydrophobicContact CB-CD2 4.36Å; I548-F636 HydrophobicContact CB-CE1 3.77Å; I548-F636 HydrophobicContact CB-CE2 4.27Å; I548-F636 HydrophobicContact CB-CG 4.17Å; I548-F636 HydrophobicContact CB-CZ 3.99Å; I548-F636 HydrophobicContact CD1-CE1 4.15Å; I548-F636 HydrophobicContact CD1-CE2 3.93Å; I548-F636 HydrophobicContact CD1-CZ 3.58Å; I548-F636 HydrophobicContact CG1-CD1 4.47Å; I548-F636 HydrophobicContact CG1-CD2 4.2Å; I548-F636 HydrophobicContact CG1-CE1 4.14Å; I548-F636 HydrophobicContact CG1-CE2 3.83Å; I548-F636 HydrophobicContact CG1-CZ 3.81Å; I548-F636 HydrophobicContact CG2-CB 4.4Å; I548-F636 HydrophobicContact CG2-CD1 4.05Å; I548-F636 HydrophobicContact CG2-CD2 4.39Å; I548-F636 HydrophobicContact CG2-CE1 4.47Å; I548-F636 HydrophobicContact CG2-CG 4.02Å; Y573-F636 HydrophobicContact CD1-CD2 4.3Å; Y573-F636 HydrophobicContact CD1-CE2 4.07Å; Y573-F636 AromaticContact CE1-CD2 3.56Å; Y573-F636 HydrophobicContact CE1-CD2 3.56Å; Y573-F636 AromaticContact CE1-CE2 3.68Å; Y573-F636 HydrophobicContact CE1-CE2 3.68Å; I611-F636 HydrophobicContact CG2-CZ 4.1Å
637A89.2Confident90.2Very high23 Ų2338 Ų3819%0.1922%0.215CC..EExtended strand (participates in β ladder)trans47.574.6-172.200000112.1S420 L421 Y573 E639S420-A637 VanDerWaalsContact CA-O 3.27Å; S420-A637 WeakPolarHBondContact CA-O 3.29Å; L421-A637 HydrophobicContact CB-CB 4.32Å; L421-A637 HydrophobicContact CD1-CB 3.79Å; L421-A637 HydrophobicContact CG-CB 3.91Å; L421-A637 PolarHBondContact N-O 3.45Å; Y573-A637 HydrophobicContact CD1-CB 4.25Å; Y573-A637 HydrophobicContact CD2-CB 3.75Å; Y573-A637 HydrophobicContact CE1-CB 4.16Å; Y573-A637 HydrophobicContact CE2-CB 3.65Å; Y573-A637 HydrophobicContact CG-CB 4.05Å; A637-E639 PolarHBondContact O-N 2.59Å
638I89.8Confident90.6Very high142 Ų14242.8 Ų42.873%0.72824%0.238SC*.EExtended strand (participates in β ladder)trans-69.1119.9176.1-57.5174.5000107.8
639E90.5Very high90.9Very high26 Ų2640.9 Ų40.912%0.12123%0.232CC..EExtended strand (participates in β ladder)trans-128.8161.9-175.9-71-175.3-16300109.4S401 T419 A637S401-E639 WeakPolarHBondContact CB-OE2 3.11Å; T419-E639 CarbonylContact C-O 3.59Å; T419-E639 HydrophobicContact CG2-CB 4.07Å; T419-E639 WeakPolarHBondContact CG2-O 3.28Å; T419-E639 PolarHBondContact N-O 3.36Å; T419-E639 PolarHBondContact O-N 2.91Å; T419-E639 VanDerWaalsContact O-N 3.08Å; A637-E639 PolarHBondContact O-N 2.59Å
640G94Very high91Very high12 Ų1245.5 Ų45.512%0.12426%0.262CS..EExtended strand (participates in β ladder)trans-116.5148.5171.800000110.5S401 I402 F417S401-G640 WeakPolarHBondContact CA-O 3.41Å; I402-G640 WeakPolarHBondContact CG1-O 3.5Å; I402-G640 PolarHBondContact N-O 3.34Å; F417-G640 WeakPolarHBondContact O-CA 3.25Å
641Y96.1Very high91.3Very high0 Ų045 Ų450%026%0.26CS..EExtended strand (participates in β ladder)trans-85.1126.2163-57.6-35.3000108.7F293 S399 F400 P415 F416 F417 T419 D613 A615F293-Y641 HydrophobicContact CD2-CE2 4.36Å; F293-Y641 AromaticContact CE1-CD2 3.96Å; F293-Y641 HydrophobicContact CE1-CD2 3.96Å; F293-Y641 HydrophobicContact CE1-CE2 4.04Å; F293-Y641 HydrophobicContact CE2-CD2 4.35Å; F293-Y641 AromaticContact CE2-CE2 3.63Å; F293-Y641 HydrophobicContact CE2-CE2 3.63Å; F293-Y641 AromaticContact CZ-CD2 3.85Å; F293-Y641 HydrophobicContact CZ-CD2 3.85Å; F293-Y641 AromaticContact CZ-CE2 3.46Å; F293-Y641 HydrophobicContact CZ-CE2 3.46Å; F293-Y641 VanDerWaalsContact CZ-CE2 3.46Å; S399-Y641 VanDerWaalsContact C-CD1 3.47Å; S399-Y641 WeakPolarHBondContact O-CD1 3.45Å; S399-Y641 WeakPolarHBondContact O-CE1 3.31Å; F400-Y641 WeakPolarHBondContact O-CA 3.33Å; P415-Y641 CarbonylContact C-O 3.58Å; P415-Y641 WeakPolarHBondContact CA-O 3.29Å; F416-Y641 VanDerWaalsContact CD1-O 3.23Å; F416-Y641 WeakPolarHBondContact CD1-O 3.44Å; F416-Y641 PolarHBondContact N-O 3.2Å; F417-Y641 HydrophobicContact CB-CD2 3.71Å; F417-Y641 HydrophobicContact CB-CG 4.27Å; F417-Y641 AromaticContact CD1-CD2 3.88Å; F417-Y641 HydrophobicContact CD1-CD2 3.88Å; F417-Y641 AromaticContact CD1-CE2 4Å; F417-Y641 HydrophobicContact CD1-CE2 4Å; F417-Y641 AromaticContact CG-CD2 4Å; F417-Y641 HydrophobicContact CG-CD2 4Å; F417-Y641 HydrophobicContact CG-CE2 4.49Å; F417-Y641 PolarHBondContact N-O 2.97Å; F417-Y641 PolarHBondContact O-N 3.03Å; T419-Y641 HydrophobicContact CG2-CD1 4.03Å; T419-Y641 HydrophobicContact CG2-CE1 3.61Å; D613-Y641 WeakPolarHBondContact CB-OH 3.49Å; D613-Y641 WeakPolarHBondContact OD2-CE1 3.38Å; A615-Y641 HydrophobicContact CB-CE2 4.09Å
642G96.1Very high91.5Very high0 Ų044.1 Ų44.10%025%0.254CS..  trans-123.2159175.400000110.7F400F400-G642 PolarHBondContact O-N 3.29Å; F400-G642 VanDerWaalsContact O-N 3.15Å
643I97.6Very high91.8Very high0 Ų047.4 Ų47.40%028%0.278CS..  trans-75.8129.5168.6-67.9179.3000107.4L355 M395 V397 F412 T413 F416 L645 I655 I659L355-I643 HydrophobicContact CD1-CD1 3.44Å; L355-I643 VanDerWaalsContact CD1-CD1 3.44Å; M395-I643 HydrophobicContact CG-CG2 3.37Å; M395-I643 HydrophobicContact SD-CG2 3.7Å; V397-I643 HydrophobicContact CG2-CD1 4.2Å; V397-I643 HydrophobicContact CG2-CG1 4.18Å; V397-I643 HydrophobicContact CG2-CG2 3.98Å; F412-I643 WeakPolarHBondContact CA-O 3.38Å; T413-I643 HydrophobicContact CG2-CB 3.78Å; T413-I643 HydrophobicContact CG2-CG2 4.27Å; T413-I643 PolarHBondContact N-O 3.1Å; T413-I643 PolarHBondContact OG1-N 3.37Å; F416-I643 HydrophobicContact CD1-CG1 4.3Å; F416-I643 HydrophobicContact CE1-CG1 4.32Å; I643-L645 HydrophobicContact CG2-CG 4.46Å; I643-I655 HydrophobicContact CD1-CG2 4.11Å; I643-I659 HydrophobicContact CD1-CD1 4.18Å
644G96.9Very high92.3Very high0 Ų049.9 Ų49.90%028%0.283CS..EExtended strand (participates in β ladder)trans-86.7137.3177.600000111.1M395 A396M395-G644 CarbonylContact C-O 3.6Å; M395-G644 WeakPolarHBondContact CA-O 3.46Å; A396-G644 PolarHBondContact N-O 3.08Å; A396-G644 PolarHBondContact O-N 2.86Å
645L96.9Very high92.8Very high0 Ų041.2 Ų41.20%025%0.245CC..EExtended strand (participates in β ladder)trans-133.9153.4-179.1-70.3165.6000110.6M395 I410 D411 T413 I643 L651 T652 I655M395-L645 HydrophobicContact CB-CD2 4.08Å; M395-L645 HydrophobicContact CE-CD2 4.39Å; M395-L645 HydrophobicContact CG-CD2 3.81Å; I410-L645 WeakPolarHBondContact CB-O 3.25Å; D411-L645 HydrophobicContact CB-CB 4.06Å; D411-L645 PolarHBondContact N-O 2.91Å; D411-L645 PolarHBondContact O-N 2.9Å; T413-L645 HydrophobicContact CG2-CD1 4Å; I643-L645 HydrophobicContact CG2-CG 4.46Å; L645-L651 HydrophobicContact CD1-CB 4.48Å; L645-T652 HydrophobicContact CD1-CG2 4.33Å; L645-T652 VanDerWaalsContact CD1-OG1 3.3Å; L645-T652 WeakPolarHBondContact CD1-OG1 3.45Å; L645-I655 HydrophobicContact CD1-CD1 4.26Å; L645-I655 HydrophobicContact CD2-CD1 4.43Å
646P95.4Very high93.4Very high33 Ų3339.1 Ų39.121%0.21423%0.232CC..  trans-56.4147.3171.1-24.235.1000111.1L388 N394 N648 S649L388-P646 HydrophobicContact CD2-CG 4.25Å; N394-P646 WeakPolarHBondContact O-CD 3.47Å; P646-N648 PolarHBondContact O-N 3.11Å; P646-S649 VanDerWaalsContact O-CB 3.25Å; P646-S649 WeakPolarHBondContact O-CB 3.34Å; P646-S649 PolarHBondContact O-N 2.79Å
647P93.3Very high93.7Very high56 Ų5643.8 Ų43.836%0.36426%0.255SS..THydrogen-bonded Turntrans-63.3132.5-172.724.1-34.3000112.9L389 V409 D411L389-P647 HydrophobicContact CD2-CG 4.39Å; V409-P647 WeakPolarHBondContact O-CB 3.39Å; V409-P647 WeakPolarHBondContact O-CG 3.46Å; D411-P647 WeakPolarHBondContact OD1-CA 3.37Å
648N90.2Very high94Very high148 Ų14844 Ų4479%0.79125%0.252SS*.THydrogen-bonded Turntrans66.237.3-171.9-41.3-95.9000114D411 P646D411-N648 VanDerWaalsContact CG-N 3.27Å; D411-N648 PolarHBondContact OD1-N 2.95Å; D411-N648 WeakPolarHBondContact OD2-CA 3.49Å; D411-N648 PolarHBondContact OD2-N 3.14Å; P646-N648 PolarHBondContact O-N 3.11Å
649S91.4Very high94.3Very high20 Ų2037.2 Ų37.214%0.1422%0.218CC..  trans-72.6132178.3176.40000111.6D411 P646 L651 T652D411-S649 PolarHBondContact OD2-N 3.04Å; P646-S649 VanDerWaalsContact O-CB 3.25Å; P646-S649 WeakPolarHBondContact O-CB 3.34Å; P646-S649 PolarHBondContact O-N 2.79Å; S649-L651 PolarHBondContact O-N 3.28Å; S649-L651 PolarHBondContact OG-N 3.36Å; S649-T652 WeakPolarHBondContact O-CB 3.31Å; S649-T652 PolarHBondContact O-N 3.38Å; S649-T652 PolarHBondContact O-OG1 3.29Å; S649-T652 VanDerWaalsContact O-OG1 3.07Å
650P90.3Very high94.5Very high106 Ų10639 Ų3969%0.68823%0.233SC*.THydrogen-bonded Turntrans-69.2-12.1176.130.8-36.3000113
651L91.4Very high94.5Very high27 Ų2742 Ų4214%0.14124%0.244CC..Hα-helixtrans-80.9-19.8177.3-56.7177.7000112.5L281 L283 M359 L645 S649 S653 N654 I655L281-L651 HydrophobicContact CD2-CD1 4.36Å; L281-L651 HydrophobicContact CD2-CD2 4.06Å; L283-L651 HydrophobicContact CD1-CD1 3.85Å; L283-L651 HydrophobicContact CD2-CD1 4.28Å; M359-L651 HydrophobicContact CE-CD2 4.1Å; L645-L651 HydrophobicContact CD1-CB 4.48Å; S649-L651 PolarHBondContact O-N 3.28Å; S649-L651 PolarHBondContact OG-N 3.36Å; L651-S653 VanDerWaalsContact C-N 3.33Å; L651-S653 PolarHBondContact O-N 3.07Å; L651-N654 PolarHBondContact O-N 2.88Å; L651-I655 HydrophobicContact CB-CD1 3.81Å; L651-I655 HydrophobicContact CB-CG1 4.44Å; L651-I655 WeakPolarHBondContact O-CG1 3.43Å; L651-I655 PolarHBondContact O-N 3.46Å
652T94Very high94.5Very high22 Ų2242.7 Ų42.714%0.13525%0.246CC..Hα-helixtrans-58.8-41.1-172-53.10000112.4D411 L645 S649 S656D411-T652 HydrophobicContact CB-CG2 4.11Å; D411-T652 PolarHBondContact OD2-OG1 3.3Å; D411-T652 VanDerWaalsContact OD2-OG1 3.12Å; L645-T652 HydrophobicContact CD1-CG2 4.33Å; L645-T652 VanDerWaalsContact CD1-OG1 3.3Å; L645-T652 WeakPolarHBondContact CD1-OG1 3.45Å; S649-T652 WeakPolarHBondContact O-CB 3.31Å; S649-T652 PolarHBondContact O-N 3.38Å; S649-T652 PolarHBondContact O-OG1 3.29Å; S649-T652 VanDerWaalsContact O-OG1 3.07Å; T652-S656 WeakPolarHBondContact O-CB 3.48Å; T652-S656 PolarHBondContact O-N 2.91Å; T652-S656 PolarHBondContact O-OG 3.38Å
653S93.3Very high94.3Very high76 Ų7647.2 Ų47.253%0.53127%0.266SS..Hα-helixtrans-65.3-49.7175.844.90000112.1L651 S656 E657L651-S653 VanDerWaalsContact C-N 3.33Å; L651-S653 PolarHBondContact O-N 3.07Å; S653-S656 WeakPolarHBondContact O-CB 3.43Å; S653-S656 PolarHBondContact O-N 2.94Å; S653-E657 PolarHBondContact O-N 3.48Å
654N93.3Very high94.1Very high84 Ų8451.7 Ų51.745%0.44930%0.298SS..Hα-helixtrans-71.1-43.2-167.9-57.815.9000110.7M359 L651 S656 E657 L658M359-N654 HydrophobicContact CE-CB 4.12Å; L651-N654 PolarHBondContact O-N 2.88Å; N654-S656 VanDerWaalsContact C-N 3.31Å; N654-S656 PolarHBondContact O-N 3.35Å; N654-E657 PolarHBondContact O-N 2.97Å; N654-L658 PolarHBondContact O-N 3.44Å
655I95.6Very high93.8Very high0 Ų058.8 Ų58.80%033%0.33CS..Hα-helixtrans-65.6-36.8174.1-60.3167.4000110.4L355 M359 M395 T413 I643 L645 L651 E657 L658 I659L355-I655 HydrophobicContact CD1-CG2 4.03Å; L355-I655 HydrophobicContact CD2-CG2 4.02Å; M359-I655 HydrophobicContact CE-CG1 4.11Å; M359-I655 HydrophobicContact SD-CD1 4.42Å; M359-I655 HydrophobicContact SD-CG1 3.51Å; M359-I655 VanDerWaalsContact SD-CG1 3.51Å; M395-I655 HydrophobicContact CE-CD1 3.67Å; T413-I655 HydrophobicContact CG2-CB 3.97Å; T413-I655 HydrophobicContact CG2-CG2 3.67Å; I643-I655 HydrophobicContact CD1-CG2 4.11Å; L645-I655 HydrophobicContact CD1-CD1 4.26Å; L645-I655 HydrophobicContact CD2-CD1 4.43Å; L651-I655 HydrophobicContact CB-CD1 3.81Å; L651-I655 HydrophobicContact CB-CG1 4.44Å; L651-I655 WeakPolarHBondContact O-CG1 3.43Å; L651-I655 PolarHBondContact O-N 3.46Å; I655-E657 VanDerWaalsContact C-N 3.3Å; I655-E657 PolarHBondContact O-N 2.87Å; I655-L658 PolarHBondContact O-N 3.49Å; I655-I659 HydrophobicContact CG2-CD1 3.78Å; I655-I659 HydrophobicContact CG2-CG1 4.27Å; I655-I659 WeakPolarHBondContact O-CB 3.33Å; I655-I659 VanDerWaalsContact O-CG1 3.31Å; I655-I659 WeakPolarHBondContact O-CG1 3.4Å; I655-I659 PolarHBondContact O-N 2.97Å
656S96Very high93.5Very high23 Ų2359.7 Ų59.716%0.16134%0.34CS..Hα-helixtrans-65.9-32.4176.4-63.70000113.3T413 S414 T652 S653 N654 S660T413-S656 VanDerWaalsContact CA-OG 3.22Å; T413-S656 WeakPolarHBondContact CA-OG 3.31Å; T413-S656 WeakPolarHBondContact CB-OG 3.42Å; S414-S656 PolarHBondContact N-OG 3.38Å; S414-S656 WeakPolarHBondContact OG-CA 3.18Å; S414-S656 PolarHBondContact OG-O 2.87Å; T652-S656 WeakPolarHBondContact O-CB 3.48Å; T652-S656 PolarHBondContact O-N 2.91Å; T652-S656 PolarHBondContact O-OG 3.38Å; S653-S656 WeakPolarHBondContact O-CB 3.43Å; S653-S656 PolarHBondContact O-N 2.94Å; N654-S656 VanDerWaalsContact C-N 3.31Å; N654-S656 PolarHBondContact O-N 3.35Å; S656-S660 WeakPolarHBondContact O-CB 3.44Å; S656-S660 PolarHBondContact O-N 3.21Å; S656-S660 PolarHBondContact O-OG 2.9Å
657E95.6Very high93.5Very high122 Ų12260.3 Ų60.357%0.5734%0.339SS*.Hα-helixtrans-69.8-49.7173.4-169.5172.9170.700110.7S653 N654 I655 I659 S660 Q661S653-E657 PolarHBondContact O-N 3.48Å; N654-E657 PolarHBondContact O-N 2.97Å; I655-E657 VanDerWaalsContact C-N 3.3Å; I655-E657 PolarHBondContact O-N 2.87Å; E657-I659 PolarHBondContact O-N 3.19Å; E657-S660 CarbonylContact O-C 3.6Å; E657-S660 WeakPolarHBondContact O-CA 3.33Å; E657-S660 VanDerWaalsContact O-CB 3.28Å; E657-S660 WeakPolarHBondContact O-CB 3.33Å; E657-S660 PolarHBondContact O-N 2.93Å; E657-Q661 WeakPolarHBondContact O-CG 3.48Å; E657-Q661 PolarHBondContact O-N 3.32Å
658L95.7Very high93.4Very high27 Ų2758.1 Ų58.114%0.14132%0.324CS..Hα-helixtrans-59.6-44176.5-70.8174.4000112.7L355 D358 M359 N654 I655 S660 Q661 Y662L355-L658 HydrophobicContact CD2-CB 4Å; L355-L658 HydrophobicContact CD2-CD1 4.05Å; D358-L658 HydrophobicContact CB-CD1 4.22Å; D358-L658 HydrophobicContact CB-CD2 4.5Å; M359-L658 HydrophobicContact CG-CD1 3.32Å; M359-L658 HydrophobicContact SD-CD1 3.81Å; N654-L658 PolarHBondContact O-N 3.44Å; I655-L658 PolarHBondContact O-N 3.49Å; L658-S660 PolarHBondContact O-N 2.89Å; L658-Q661 CarbonylContact O-C 3.49Å; L658-Q661 WeakPolarHBondContact O-CA 3.35Å; L658-Q661 WeakPolarHBondContact O-CB 3.49Å; L658-Q661 PolarHBondContact O-N 3.09Å; L658-Y662 HydrophobicContact CB-CE2 4.22Å; L658-Y662 WeakPolarHBondContact O-CD2 3.17Å; L658-Y662 VanDerWaalsContact O-CG 3.26Å; L658-Y662 PolarHBondContact O-N 2.89Å
659I96.6Very high93.5Very high0 Ų056.4 Ų56.40%032%0.315CS..Hα-helixtrans-58.2-35.6172.8-72.1169.5000111.6T413 S414 F416 I643 I655 E657 K663 M668T413-I659 HydrophobicContact CG2-CD1 4.34Å; T413-I659 WeakPolarHBondContact OG1-CD1 3.34Å; S414-I659 WeakPolarHBondContact OG-CG2 3.45Å; F416-I659 HydrophobicContact CB-CD1 4.41Å; F416-I659 HydrophobicContact CB-CG2 3.88Å; I643-I659 HydrophobicContact CD1-CD1 4.18Å; I655-I659 HydrophobicContact CG2-CD1 3.78Å; I655-I659 HydrophobicContact CG2-CG1 4.27Å; I655-I659 WeakPolarHBondContact O-CB 3.33Å; I655-I659 VanDerWaalsContact O-CG1 3.31Å; I655-I659 WeakPolarHBondContact O-CG1 3.4Å; I655-I659 PolarHBondContact O-N 2.97Å; E657-I659 PolarHBondContact O-N 3.19Å; I659-K663 WeakPolarHBondContact O-CG 3.3Å; I659-K663 PolarHBondContact O-N 3.4Å; I659-M668 HydrophobicContact CG1-CE 4.48Å; I659-M668 HydrophobicContact CG2-CE 4.23Å
660S94.6Very high93.6Very high64 Ų6460 Ų6045%0.44834%0.336SS..Hα-helixtrans-70.5-38.8175.6-55.70000111.6S656 E657 L658 K663 S664S656-S660 WeakPolarHBondContact O-CB 3.44Å; S656-S660 PolarHBondContact O-N 3.21Å; S656-S660 PolarHBondContact O-OG 2.9Å; E657-S660 CarbonylContact O-C 3.6Å; E657-S660 WeakPolarHBondContact O-CA 3.33Å; E657-S660 VanDerWaalsContact O-CB 3.28Å; E657-S660 WeakPolarHBondContact O-CB 3.33Å; E657-S660 PolarHBondContact O-N 2.93Å; L658-S660 PolarHBondContact O-N 2.89Å; S660-K663 PolarHBondContact O-N 3.17Å; S660-S664 PolarHBondContact O-N 2.93Å; S660-S664 VanDerWaalsContact O-N 3.1Å; S660-S664 PolarHBondContact O-OG 3.21Å
661Q94.8Very high93.7Very high75 Ų7555.3 Ų55.335%0.3531%0.305SS..Hα-helixtrans-65.7-42.9174.1-64.9-178.324.100111.8E657 L658 K663 S664 H665E657-Q661 WeakPolarHBondContact O-CG 3.48Å; E657-Q661 PolarHBondContact O-N 3.32Å; L658-Q661 CarbonylContact O-C 3.49Å; L658-Q661 WeakPolarHBondContact O-CA 3.35Å; L658-Q661 WeakPolarHBondContact O-CB 3.49Å; L658-Q661 PolarHBondContact O-N 3.09Å; Q661-K663 PolarHBondContact O-N 3.38Å; Q661-S664 WeakPolarHBondContact CA-OG 3.33Å; Q661-S664 PolarHBondContact O-N 3.49Å; Q661-S664 VanDerWaalsContact O-N 3.12Å; Q661-S664 PolarHBondContact O-OG 2.79Å; Q661-H665 WeakPolarHBondContact O-CB 3.31Å; Q661-H665 PolarHBondContact O-N 2.96Å; Q661-H665 PolarHBondContact O-ND1 2.75Å
662Y95.4Very high93.7Very high13 Ų1357.5 Ų57.55%0.05131%0.314CS..Hα-helixtrans-60.3-32.3175.4-63.9-29.1000113.1L351 Q354 L355 D358 L658 G666 F667 M668L351-Y662 HydrophobicContact CD1-CD2 3.8Å; L351-Y662 HydrophobicContact CD1-CE2 3.94Å; Q354-Y662 HydrophobicContact CG-CE1 3.89Å; L355-Y662 HydrophobicContact CD2-CE2 3.68Å; L355-Y662 HydrophobicContact CG-CE2 3.96Å; D358-Y662 WeakPolarHBondContact OD2-CE1 3.4Å; D358-Y662 VanDerWaalsContact OD2-CZ 3.26Å; D358-Y662 PolarHBondContact OD2-OH 3.03Å; L658-Y662 HydrophobicContact CB-CE2 4.22Å; L658-Y662 WeakPolarHBondContact O-CD2 3.17Å; L658-Y662 VanDerWaalsContact O-CG 3.26Å; L658-Y662 PolarHBondContact O-N 2.89Å; Y662-G666 PolarHBondContact O-N 3.42Å; Y662-F667 HydrophobicContact CD1-CD1 4.13Å; Y662-F667 HydrophobicContact CD2-CD1 4.36Å; Y662-F667 AromaticContact CG-CD1 3.93Å; Y662-F667 HydrophobicContact CG-CD1 3.93Å; Y662-F667 PolarHBondContact O-N 2.95Å; Y662-M668 HydrophobicContact CD2-CE 3.77Å; Y662-M668 HydrophobicContact CG-CE 4.21Å
663K92.7Very high93.5Very high96 Ų9660.6 Ų60.642%0.41733%0.33SS..Hα-helixtrans-70.1-46.2171.3-72.9-178179.8-1620112.2P415 F416 I659 S660 Q661 H665 G666 M668P415-K663 VanDerWaalsContact O-CE 3.25Å; P415-K663 WeakPolarHBondContact O-CE 3.35Å; P415-K663 PolarHBondContact O-NZ 3Å; F416-K663 WeakPolarHBondContact O-CE 3.26Å; F416-K663 PolarHBondContact O-NZ 2.93Å; I659-K663 WeakPolarHBondContact O-CG 3.3Å; I659-K663 PolarHBondContact O-N 3.4Å; S660-K663 PolarHBondContact O-N 3.17Å; Q661-K663 PolarHBondContact O-N 3.38Å; K663-H665 VanDerWaalsContact C-N 3.27Å; K663-H665 PolarHBondContact O-N 2.96Å; K663-G666 PolarHBondContact O-N 3.4Å; K663-M668 HydrophobicContact CG-CB 4.4Å; K663-M668 HydrophobicContact CG-CG 3.79Å
664S91.7Very high93.4Very high94 Ų9462.6 Ų62.666%0.65733%0.329SS*.Hα-helixtrans-67.1-27.317954.70000113.6S660 Q661S660-S664 PolarHBondContact O-N 2.93Å; S660-S664 VanDerWaalsContact O-N 3.1Å; S660-S664 PolarHBondContact O-OG 3.21Å; Q661-S664 WeakPolarHBondContact CA-OG 3.33Å; Q661-S664 PolarHBondContact O-N 3.49Å; Q661-S664 VanDerWaalsContact O-N 3.12Å; Q661-S664 PolarHBondContact O-OG 2.79Å
665H92Very high93.2Very high148 Ų14860.4 Ų60.469%0.68532%0.315SS*.THydrogen-bonded Turntrans-87-4.4174.8-65.2110.2000114.1Q661 K663 F667Q661-H665 WeakPolarHBondContact O-CB 3.31Å; Q661-H665 PolarHBondContact O-N 2.96Å; Q661-H665 PolarHBondContact O-ND1 2.75Å; K663-H665 VanDerWaalsContact C-N 3.27Å; K663-H665 PolarHBondContact O-N 2.96Å; H665-F667 VanDerWaalsContact C-N 3.29Å; H665-F667 PolarHBondContact O-N 2.92Å
666G91.2Very high92.6Very high19 Ų1961.9 Ų61.920%0.19632%0.321CS..THydrogen-bonded Turntrans74.68.8-179.300000115.5Y662 K663 M668 D669 V670Y662-G666 PolarHBondContact O-N 3.42Å; K663-G666 PolarHBondContact O-N 3.4Å; G666-M668 VanDerWaalsContact C-N 3.26Å; G666-M668 PolarHBondContact O-N 2.72Å; G666-D669 WeakPolarHBondContact O-CB 3.46Å; G666-D669 PolarHBondContact O-N 3.05Å; G666-V670 PolarHBondContact O-N 3.24Å; G666-V670 VanDerWaalsContact O-N 3.11Å
667F93.5Very high91.4Very high47 Ų4767 Ų6721%0.20634%0.34CS..Hα-helixtrans-59.6-38.3177.5177.9-109.4000111.9L351 Q354 Y662 H665 D669 V670 L671L351-F667 HydrophobicContact CD1-CE1 4.29Å; Q354-F667 HydrophobicContact CB-CE1 3.94Å; Q354-F667 HydrophobicContact CB-CZ 3.78Å; Q354-F667 HydrophobicContact CG-CE1 3.94Å; Q354-F667 HydrophobicContact CG-CE2 4.45Å; Q354-F667 HydrophobicContact CG-CZ 3.82Å; Y662-F667 HydrophobicContact CD1-CD1 4.13Å; Y662-F667 HydrophobicContact CD2-CD1 4.36Å; Y662-F667 AromaticContact CG-CD1 3.93Å; Y662-F667 HydrophobicContact CG-CD1 3.93Å; Y662-F667 PolarHBondContact O-N 2.95Å; H665-F667 VanDerWaalsContact C-N 3.29Å; H665-F667 PolarHBondContact O-N 2.92Å; F667-D669 PolarHBondContact O-N 3.49Å; F667-V670 WeakPolarHBondContact O-CB 3.48Å; F667-V670 PolarHBondContact O-N 3.16Å; F667-V670 VanDerWaalsContact O-N 3.14Å; F667-L671 HydrophobicContact CD1-CD1 4.1Å; F667-L671 HydrophobicContact CD1-CG 4.34Å; F667-L671 HydrophobicContact CE1-CD1 3.61Å; F667-L671 HydrophobicContact CE1-CD2 4.37Å; F667-L671 HydrophobicContact CE1-CG 3.99Å; F667-L671 HydrophobicContact CE2-CD2 4.37Å; F667-L671 HydrophobicContact CE2-CG 4.49Å; F667-L671 HydrophobicContact CZ-CD1 4.07Å; F667-L671 HydrophobicContact CZ-CD2 3.98Å; F667-L671 HydrophobicContact CZ-CG 4.07Å; F667-L671 PolarHBondContact O-N 3.17Å
668M93.1Very high89.7Confident9 Ų964.3 Ų64.34%0.04433%0.332CS..Hα-helixtrans-61.3-31.7175.5-67.3-71.5169.200113Y347 L351 F416 I659 Y662 K663 G666 H672Y347-M668 PolarHBondContact OH-O 3.21Å; Y347-M668 PolarHBondContact OH-SD 3.36Å; L351-M668 HydrophobicContact CD1-CE 3.51Å; L351-M668 HydrophobicContact CD1-SD 4.49Å; L351-M668 HydrophobicContact CD2-CE 4.06Å; L351-M668 HydrophobicContact CG-CE 4.47Å; F416-M668 HydrophobicContact CB-CE 3.87Å; F416-M668 HydrophobicContact CB-SD 4.07Å; I659-M668 HydrophobicContact CG1-CE 4.48Å; I659-M668 HydrophobicContact CG2-CE 4.23Å; Y662-M668 HydrophobicContact CD2-CE 3.77Å; Y662-M668 HydrophobicContact CG-CE 4.21Å; K663-M668 HydrophobicContact CG-CB 4.4Å; K663-M668 HydrophobicContact CG-CG 3.79Å; G666-M668 VanDerWaalsContact C-N 3.26Å; G666-M668 PolarHBondContact O-N 2.72Å; M668-H672 WeakPolarHBondContact O-CB 3.37Å; M668-H672 PolarHBondContact O-N 2.93Å
669D91.9Very high88Confident113 Ų11367.1 Ų67.160%0.60435%0.349SS*.Hα-helixtrans-75.3-39.3175.3-59.2-44.8000110.6G666 F667 L671 H672 D673G666-D669 WeakPolarHBondContact O-CB 3.46Å; G666-D669 PolarHBondContact O-N 3.05Å; F667-D669 PolarHBondContact O-N 3.49Å; D669-L671 PolarHBondContact O-N 3.34Å; D669-H672 WeakPolarHBondContact O-CB 3.24Å; D669-H672 PolarHBondContact O-N 3.38Å; D669-H672 VanDerWaalsContact O-N 3.14Å; D669-D673 WeakPolarHBondContact O-CB 3.42Å; D669-D673 PolarHBondContact O-N 2.97Å
670V93.5Very high86.1Confident96 Ų9668.7 Ų68.758%0.58236%0.36SS*.Hα-helixtrans-60.8-43173.2177.30000111.3G666 F667 H672 D673 K674G666-V670 PolarHBondContact O-N 3.24Å; G666-V670 VanDerWaalsContact O-N 3.11Å; F667-V670 WeakPolarHBondContact O-CB 3.48Å; F667-V670 PolarHBondContact O-N 3.16Å; F667-V670 VanDerWaalsContact O-N 3.14Å; V670-H672 VanDerWaalsContact C-N 3.35Å; V670-D673 PolarHBondContact O-N 2.8Å; V670-K674 WeakPolarHBondContact O-CB 3.3Å; V670-K674 PolarHBondContact O-N 2.85Å
671L92.7Very high84.6Confident6 Ų666.4 Ų66.43%0.03134%0.344CS..Hα-helixtrans-62.6-40.7172.6-67.2-175.3000111.8Y347 D350 L351 F667 D669 K674 W675Y347-L671 HydrophobicContact CD2-CB 3.73Å; Y347-L671 HydrophobicContact CE1-CB 4.5Å; Y347-L671 HydrophobicContact CE1-CD1 4.22Å; Y347-L671 HydrophobicContact CE2-CB 3.41Å; Y347-L671 VanDerWaalsContact CE2-CB 3.41Å; Y347-L671 HydrophobicContact CG-CB 4.4Å; D350-L671 HydrophobicContact CB-CD2 3.55Å; D350-L671 WeakPolarHBondContact OD2-CD2 3.25Å; L351-L671 HydrophobicContact CB-CD1 4.05Å; F667-L671 HydrophobicContact CD1-CD1 4.1Å; F667-L671 HydrophobicContact CD1-CG 4.34Å; F667-L671 HydrophobicContact CE1-CD1 3.61Å; F667-L671 HydrophobicContact CE1-CD2 4.37Å; F667-L671 HydrophobicContact CE1-CG 3.99Å; F667-L671 HydrophobicContact CE2-CD2 4.37Å; F667-L671 HydrophobicContact CE2-CG 4.49Å; F667-L671 HydrophobicContact CZ-CD1 4.07Å; F667-L671 HydrophobicContact CZ-CD2 3.98Å; F667-L671 HydrophobicContact CZ-CG 4.07Å; F667-L671 PolarHBondContact O-N 3.17Å; D669-L671 PolarHBondContact O-N 3.34Å; L671-K674 PolarHBondContact O-N 3.4Å; L671-W675 PolarHBondContact O-N 3.18Å; L671-W675 VanDerWaalsContact O-N 3.12Å
672H90.9Very high82.5Confident73 Ų7365.1 Ų65.134%0.33835%0.351SS..Hα-helixtrans-63.7-46.1177.6-171.867.9000110.8Y347 F417 M668 D669 V670 K674 W675 Y676Y347-H672 HydrophobicContact CE2-CB 4.26Å; F417-H672 AromaticContact CE2-ND1 3.73Å; M668-H672 WeakPolarHBondContact O-CB 3.37Å; M668-H672 PolarHBondContact O-N 2.93Å; D669-H672 WeakPolarHBondContact O-CB 3.24Å; D669-H672 PolarHBondContact O-N 3.38Å; D669-H672 VanDerWaalsContact O-N 3.14Å; V670-H672 VanDerWaalsContact C-N 3.35Å; H672-K674 VanDerWaalsContact C-N 3.26Å; H672-K674 PolarHBondContact O-N 2.96Å; H672-W675 PolarHBondContact O-N 3.16Å; H672-Y676 AromaticContact CE1-CD1 3.8Å; H672-Y676 AromaticContact CE1-CD2 3.46Å; H672-Y676 VanDerWaalsContact CE1-CD2 3.46Å; H672-Y676 WeakPolarHBondContact CE1-CD2 3.32Å; H672-Y676 AromaticContact CE1-CG 3.33Å; H672-Y676 AromaticContact ND1-CD2 3.2Å; H672-Y676 WeakPolarHBondContact ND1-CD2 3.49Å; H672-Y676 AromaticContact ND1-CE2 3.76Å; H672-Y676 AromaticContact ND1-CG 3.56Å; H672-Y676 WeakPolarHBondContact O-CB 3.39Å; H672-Y676 PolarHBondContact O-N 3.44Å
673D89.4Confident80.2Confident87 Ų8772.4 Ų72.447%0.46538%0.383SS..Hα-helixtrans-70.6-18.6179.4-134.231.6000113D669 V670 K677D669-D673 WeakPolarHBondContact O-CB 3.42Å; D669-D673 PolarHBondContact O-N 2.97Å; V670-D673 PolarHBondContact O-N 2.8Å; D673-K677 HydrophobicContact CB-CD 4.48Å; D673-K677 VanDerWaalsContact CG-NZ 3.31Å; D673-K677 WeakPolarHBondContact O-CB 3.45Å; D673-K677 WeakPolarHBondContact O-CD 3.49Å; D673-K677 WeakPolarHBondContact OD1-CD 3.41Å; D673-K677 IonicContact OD1-NZ 3.65Å; D673-K677 IonicContact OD2-NZ 3.55Å; D673-K677 PolarHBondContact OD2-NZ 3.2Å
674K90.6Very high77.9Confident119 Ų11974 Ų7452%0.51739%0.386SS..Hα-helixtrans-75.6-46.2169-178.2179.5172.1-169.70112D350 V670 L671 H672D350-K674 IonicContact OD1-NZ 2.8Å; D350-K674 PolarHBondContact OD1-NZ 2.79Å; D350-K674 VanDerWaalsContact OD2-CD 3.31Å; D350-K674 WeakPolarHBondContact OD2-CD 3.43Å; D350-K674 WeakPolarHBondContact OD2-CE 3.47Å; D350-K674 IonicContact OD2-NZ 3.19Å; D350-K674 PolarHBondContact OD2-NZ 3.26Å; V670-K674 WeakPolarHBondContact O-CB 3.3Å; V670-K674 PolarHBondContact O-N 2.85Å; L671-K674 PolarHBondContact O-N 3.4Å; H672-K674 VanDerWaalsContact C-N 3.26Å; H672-K674 PolarHBondContact O-N 2.96Å
675W89.9Confident75.7Confident38 Ų3873.1 Ų73.114%0.14438%0.38CS..Hα-helixtrans-99.7-30.2-168.3-65.4108.2000115.5P292 F295 Y345 G346 Y347 D350 L671 H672P292-W675 HydrophobicContact CB-CB 4.38Å; F295-W675 HydrophobicContact CD2-CE3 4.4Å; F295-W675 HydrophobicContact CD2-CZ3 4.14Å; F295-W675 AromaticContact CE2-CE3 3.73Å; F295-W675 HydrophobicContact CE2-CE3 3.73Å; F295-W675 AromaticContact CE2-CZ3 3.86Å; F295-W675 HydrophobicContact CE2-CZ3 3.86Å; Y345-W675 AromaticContact CD2-CH2 3.77Å; Y345-W675 HydrophobicContact CD2-CH2 3.77Å; Y345-W675 AromaticContact CD2-CZ3 3.97Å; Y345-W675 HydrophobicContact CD2-CZ3 3.97Å; Y345-W675 HydrophobicContact CE2-CZ3 4.36Å; G346-W675 VanDerWaalsContact C-CE2 3.44Å; G346-W675 VanDerWaalsContact CA-CZ2 3.45Å; Y347-W675 VanDerWaalsContact CA-CD1 3.44Å; D350-W675 PolarHBondContact OD2-NE1 2.95Å; L671-W675 PolarHBondContact O-N 3.18Å; L671-W675 VanDerWaalsContact O-N 3.12Å; H672-W675 PolarHBondContact O-N 3.16Å
676Y83.4Confident73.3Confident31 Ų3174.8 Ų74.812%0.12239%0.386CS..SBendtrans-92.9-12.2-178.3-83.9-96.5000114.4P292 F293 F417 A615 H672 V678P292-Y676 HydrophobicContact CG-CD2 4.01Å; P292-Y676 HydrophobicContact CG-CE1 4.11Å; P292-Y676 HydrophobicContact CG-CE2 3.47Å; P292-Y676 VanDerWaalsContact CG-CE2 3.47Å; F293-Y676 WeakPolarHBondContact CE2-OH 3.34Å; F293-Y676 HydrophobicContact CZ-CE2 4.15Å; F293-Y676 WeakPolarHBondContact CZ-OH 3.47Å; F417-Y676 HydrophobicContact CE2-CE2 4.07Å; F417-Y676 HydrophobicContact CZ-CE2 4.09Å; A615-Y676 WeakPolarHBondContact O-CE1 3.2Å; A615-Y676 PolarHBondContact O-OH 3.37Å; H672-Y676 AromaticContact CE1-CD1 3.8Å; H672-Y676 AromaticContact CE1-CD2 3.46Å; H672-Y676 VanDerWaalsContact CE1-CD2 3.46Å; H672-Y676 WeakPolarHBondContact CE1-CD2 3.32Å; H672-Y676 AromaticContact CE1-CG 3.33Å; H672-Y676 AromaticContact ND1-CD2 3.2Å; H672-Y676 WeakPolarHBondContact ND1-CD2 3.49Å; H672-Y676 AromaticContact ND1-CE2 3.76Å; H672-Y676 AromaticContact ND1-CG 3.56Å; H672-Y676 WeakPolarHBondContact O-CB 3.39Å; H672-Y676 PolarHBondContact O-N 3.44Å; Y676-V678 PolarHBondContact O-N 2.95Å
677K71Confident70.8Confident130 Ų13076.3 Ų76.357%0.56540%0.397SS*.  trans-77.620.7-171-158.9169.6-170.7164.60114.9D673D673-K677 HydrophobicContact CB-CD 4.48Å; D673-K677 VanDerWaalsContact CG-NZ 3.31Å; D673-K677 WeakPolarHBondContact O-CB 3.45Å; D673-K677 WeakPolarHBondContact O-CD 3.49Å; D673-K677 WeakPolarHBondContact OD1-CD 3.41Å; D673-K677 IonicContact OD1-NZ 3.65Å; D673-K677 IonicContact OD2-NZ 3.55Å; D673-K677 PolarHBondContact OD2-NZ 3.2Å
678V59.1Low68.4Low66 Ų6677.9 Ų77.940%0.441%0.41SS..  trans-82124176.6-172.40000109.3I623 Y676I623-V678 HydrophobicContact CG2-CB 4.45Å; I623-V678 HydrophobicContact CG2-CG1 4.15Å; Y676-V678 PolarHBondContact O-N 2.95Å
679V60.4Low66.1Low85 Ų8582.9 Ų82.952%0.51544%0.441SS..  trans-132.399.5-175.7-83.40000113.7
680P56.8Low63.8Low34 Ų3484.9 Ų84.922%0.22145%0.447CS..SBendtrans-90.2-35.6143.422.9-29.4000113.8S622 R684S622-P680 WeakPolarHBondContact O-CD 3.39Å; S622-P680 WeakPolarHBondContact O-CG 3.34Å; P680-R684 WeakPolarHBondContact O-CD 3.37Å; P680-R684 VanDerWaalsContact O-CG 3.25Å; P680-R684 WeakPolarHBondContact O-CG 3.32Å; P680-R684 PolarHBondContact O-NE 3.31Å
681C63.1Low61.5Low15 Ų1585.9 Ų85.910%0.10145%0.453CS..SBendtrans-104.7-39.7-171.4-60.20000116.9S622 D624 C627 K683 R684 S685S622-C681 PolarHBondContact O-N 2.76Å; D624-C681 PolarHBondContact O-SG 2.98Å; C627-C681 WeakPolarHBondContact CA-SG 3.31Å; C627-C681 HydrophobicContact CB-CB 3.96Å; C627-C681 WeakPolarHBondContact CB-SG 3.48Å; C627-C681 WeakPolarHBondContact SG-CA 3.15Å; C627-C681 WeakPolarHBondContact SG-CB 3.5Å; C627-C681 CovalentContact SG-SG 2.04Å; C627-C681 PolarHBondContact SG-SG 3.36Å; C681-K683 PolarHBondContact O-N 3.36Å; C681-R684 PolarHBondContact O-N 2.88Å; C681-S685 PolarHBondContact O-N 3.47Å
682G49.9Very low59.6Low49 Ų4990 Ų9051%0.50548%0.475SS..THydrogen-bonded Turntrans-61.6-16.4-169.500000116.7
683K46.5Very low57.9Low166 Ų16694.3 Ų94.372%0.72250%0.495SS*.THydrogen-bonded Turntrans-108.6-9.6170.9-69.1-175.8178.8178.30113.9C681C681-K683 PolarHBondContact O-N 3.36Å
684R45.8Very low56.7Low128 Ų12893.4 Ų93.448%0.48349%0.489SS..THydrogen-bonded Turntrans-79.3-36174.9-77.2-173.1-175.3158.3-0.4111.9P680 C681 F686 A687 V688P680-R684 WeakPolarHBondContact O-CD 3.37Å; P680-R684 VanDerWaalsContact O-CG 3.25Å; P680-R684 WeakPolarHBondContact O-CG 3.32Å; P680-R684 PolarHBondContact O-NE 3.31Å; C681-R684 PolarHBondContact O-N 2.88Å; R684-F686 PolarHBondContact O-N 3.14Å; R684-F686 VanDerWaalsContact O-N 3.16Å; R684-A687 CarbonylContact O-C 3.59Å; R684-A687 PolarHBondContact O-N 3.35Å; R684-V688 HydrophobicContact CB-CG2 4Å; R684-V688 VanDerWaalsContact O-CB 3.31Å; R684-V688 WeakPolarHBondContact O-CB 3.27Å; R684-V688 VanDerWaalsContact O-CG2 3.28Å; R684-V688 WeakPolarHBondContact O-CG2 3.5Å; R684-V688 PolarHBondContact O-N 2.87Å
685S44.9Very low55.6Low77 Ų7789.3 Ų89.354%0.53848%0.481SS..THydrogen-bonded Turntrans-54.5-35.8179.251.40000114.2C681C681-S685 PolarHBondContact O-N 3.47Å
686F41.9Very low54.9Low182 Ų18294 Ų9480%0.79851%0.507SS*.THydrogen-bonded Turntrans-90.3-3.7176.4-69.8-78.4000115R684 T689R684-F686 PolarHBondContact O-N 3.14Å; R684-F686 VanDerWaalsContact O-N 3.16Å; F686-T689 PolarHBondContact O-OG1 3.12Å
687A38.5Very low54.2Low52 Ų52100 Ų10043%0.4353%0.534SS..THydrogen-bonded Turntrans-112.6-28.9179.200000112.7R684 T689 E690R684-A687 CarbonylContact O-C 3.59Å; R684-A687 PolarHBondContact O-N 3.35Å; A687-T689 PolarHBondContact O-N 3.21Å; A687-E690 WeakPolarHBondContact O-CB 3.46Å; A687-E690 PolarHBondContact O-N 3.47Å
688V43.3Very low54.3Low80 Ų8097.4 Ų97.449%0.48552%0.524SS..THydrogen-bonded Turntrans-74.4-8177.8172.60000112.1R684 E690R684-V688 HydrophobicContact CB-CG2 4Å; R684-V688 VanDerWaalsContact O-CB 3.31Å; R684-V688 WeakPolarHBondContact O-CB 3.27Å; R684-V688 VanDerWaalsContact O-CG2 3.28Å; R684-V688 WeakPolarHBondContact O-CG2 3.5Å; R684-V688 PolarHBondContact O-N 2.87Å; V688-E690 PolarHBondContact O-N 2.91Å
689T45.3Very low55.2Low114 Ų11498 Ų9870%0.69952%0.521SS*.THydrogen-bonded Turntrans-61.3-17.1159.2490000112.8F686 A687 T691F686-T689 PolarHBondContact O-OG1 3.12Å; A687-T689 PolarHBondContact O-N 3.21Å; T689-T691 PolarHBondContact O-N 3.36Å
690E44Very low56.2Low155 Ų15595.8 Ų95.872%0.72451%0.509SS*.SBendtrans-81.4103.3164.8-65.4-157.3115.700111.5A687 V688A687-E690 WeakPolarHBondContact O-CB 3.46Å; A687-E690 PolarHBondContact O-N 3.47Å; V688-E690 PolarHBondContact O-N 2.91Å
691T44.6Very low57.6Low116 Ų11694.4 Ų94.471%0.71250%0.501SS*.  trans74.550.6161.4730000118T689 Q693T689-T691 PolarHBondContact O-N 3.36Å; T691-Q693 VanDerWaalsContact C-N 3.31Å; T691-Q693 WeakPolarHBondContact O-CG 3.4Å; T691-Q693 PolarHBondContact O-N 3.14Å
692L51.4Low58.6Low93 Ų9397.3 Ų97.349%0.48752%0.516SS..  trans-64.394.1156.9-131.5172.8000109.8E539 M694E539-L692 WeakPolarHBondContact OE1-CB 3.42Å; E539-L692 VanDerWaalsContact OE1-CD1 3.29Å; E539-L692 WeakPolarHBondContact OE1-CD1 3.49Å; E539-L692 VanDerWaalsContact OE2-CD1 3.27Å; E539-L692 WeakPolarHBondContact OE2-CD1 3.34Å; L692-M694 PolarHBondContact O-N 3.07Å
693Q56.4Low60.5Low163 Ų163100.4 Ų100.476%0.76252%0.515SS*.  trans-67.6115.7-172.5-62.7-174.37.500110.5T691 G695T691-Q693 VanDerWaalsContact C-N 3.31Å; T691-Q693 WeakPolarHBondContact O-CG 3.4Å; T691-Q693 PolarHBondContact O-N 3.14Å; Q693-G695 PolarHBondContact O-N 3.42Å
694M64.3Low62.6Low68 Ų6896 Ų9634%0.33550%0.502SS..  trans-61.491.8-178.1-72-75157.800111.9M536 L692 H698 F699M536-M694 HydrophobicContact CB-CE 4.19Å; M536-M694 HydrophobicContact CG-CE 4.49Å; L692-M694 PolarHBondContact O-N 3.07Å; M694-H698 HydrophobicContact SD-CB 4.37Å; M694-F699 HydrophobicContact CB-CE2 3.89Å; M694-F699 HydrophobicContact CB-CZ 4.21Å; M694-F699 WeakPolarHBondContact O-CE2 3.37Å
695G66.5Low64.6Low34 Ų3494.4 Ų94.435%0.35150%0.502SS..  trans-69.2165.5-175.400000113.9Q693 K697 H698Q693-G695 PolarHBondContact O-N 3.42Å; G695-K697 PolarHBondContact O-N 3.34Å; G695-H698 PolarHBondContact O-CD2 2.92Å; G695-H698 PolarHBondContact O-N 3.35Å
696I74.8Confident66.8Low137 Ų13796.6 Ų96.670%0.70351%0.507SS*.G310 helixtrans-50.7-31.4-177.4-71.2171.1000113.4H698 F699 S700 F703I696-H698 VanDerWaalsContact C-N 3.3Å; I696-H698 PolarHBondContact O-N 3.3Å; I696-F699 PolarHBondContact O-N 3.2Å; I696-F699 VanDerWaalsContact O-N 3.16Å; I696-S700 PolarHBondContact O-N 3.47Å; I696-S700 VanDerWaalsContact O-N 3.17Å; I696-F703 HydrophobicContact CG2-CE2 4.28Å
697K70.1Confident69.2Low156 Ų15692.2 Ų92.268%0.67850%0.498SS*.G310 helixtrans-56.1-39.9176-67.6-177.2-179.6176.80112.9G695 F699 S700G695-K697 PolarHBondContact O-N 3.34Å; K697-F699 VanDerWaalsContact C-N 3.28Å; K697-F699 PolarHBondContact O-N 2.88Å; K697-S700 WeakPolarHBondContact O-CB 3.33Å; K697-S700 PolarHBondContact O-N 3.32Å; K697-S700 PolarHBondContact O-OG 2.92Å
698H72.2Confident71.9Confident75 Ų7594.2 Ų94.235%0.34750%0.501SS..G310 helixtrans-69.3-26.6-178.7-59.4-106.7000112.3M694 G695 I696M694-H698 HydrophobicContact SD-CB 4.37Å; G695-H698 PolarHBondContact O-CD2 2.92Å; G695-H698 PolarHBondContact O-N 3.35Å; I696-H698 VanDerWaalsContact C-N 3.3Å; I696-H698 PolarHBondContact O-N 3.3Å
699F77.7Confident74.2Confident79 Ų7992.2 Ų92.235%0.34650%0.497SS..G310 helixtrans-96.11.8177.2-61.5-69.1000113.8M536 M694 I696 K697 G701 L702 F703M536-F699 HydrophobicContact CE-CE1 4.17Å; M536-F699 HydrophobicContact CE-CZ 4.34Å; M694-F699 HydrophobicContact CB-CE2 3.89Å; M694-F699 HydrophobicContact CB-CZ 4.21Å; M694-F699 WeakPolarHBondContact O-CE2 3.37Å; I696-F699 PolarHBondContact O-N 3.2Å; I696-F699 VanDerWaalsContact O-N 3.16Å; K697-F699 VanDerWaalsContact C-N 3.28Å; K697-F699 PolarHBondContact O-N 2.88Å; F699-G701 VanDerWaalsContact C-N 3.28Å; F699-G701 PolarHBondContact O-N 3.31Å; F699-G701 VanDerWaalsContact O-N 3.16Å; F699-L702 HydrophobicContact CD1-CD1 4.03Å; F699-L702 WeakPolarHBondContact O-CB 3.41Å; F699-L702 PolarHBondContact O-N 3.17Å; F699-F703 HydrophobicContact CB-CE2 3.96Å; F699-F703 WeakPolarHBondContact O-CD2 3.38Å; F699-F703 PolarHBondContact O-N 3.12Å
700S82.4Confident76.6Confident38 Ų3893.5 Ų93.527%0.26649%0.493SS..Hα-helixtrans-48.8-43.5-177.557.50000113.8I696 K697 L702 F703 V704I696-S700 PolarHBondContact O-N 3.47Å; I696-S700 VanDerWaalsContact O-N 3.17Å; K697-S700 WeakPolarHBondContact O-CB 3.33Å; K697-S700 PolarHBondContact O-N 3.32Å; K697-S700 PolarHBondContact O-OG 2.92Å; S700-L702 VanDerWaalsContact C-N 3.32Å; S700-L702 PolarHBondContact O-N 3.4Å; S700-F703 PolarHBondContact O-N 3Å; S700-V704 WeakPolarHBondContact O-CG2 3.38Å; S700-V704 PolarHBondContact O-N 2.95Å
701G85.1Confident79Confident5 Ų587.9 Ų87.95%0.05248%0.477CS..Hα-helixtrans-63.3-30.9178.400000115.1I434 F699 V704 L705I434-G701 VanDerWaalsContact CG2-CA 3.47Å; I434-G701 WeakPolarHBondContact O-CA 3.47Å; F699-G701 VanDerWaalsContact C-N 3.28Å; F699-G701 PolarHBondContact O-N 3.31Å; F699-G701 VanDerWaalsContact O-N 3.16Å; G701-V704 PolarHBondContact O-N 2.94Å; G701-L705 VanDerWaalsContact O-CB 3.32Å; G701-L705 WeakPolarHBondContact O-CB 3.3Å; G701-L705 PolarHBondContact O-N 3.45Å
702L85.9Confident81.3Confident77 Ų7787 Ų8740%0.40347%0.467SS..Hα-helixtrans-71.4-36.9175.8-60.6-178.2000111.3F437 F699 S700 L705 L706F437-L702 HydrophobicContact CB-CD2 4.14Å; F437-L702 HydrophobicContact CD1-CD2 3.98Å; F437-L702 HydrophobicContact CD2-CD2 3.72Å; F437-L702 HydrophobicContact CE1-CD2 4.32Å; F437-L702 HydrophobicContact CE2-CD2 4.08Å; F437-L702 HydrophobicContact CG-CD2 3.67Å; F437-L702 HydrophobicContact CG-CG 4.49Å; F437-L702 HydrophobicContact CZ-CD2 4.37Å; F699-L702 HydrophobicContact CD1-CD1 4.03Å; F699-L702 WeakPolarHBondContact O-CB 3.41Å; F699-L702 PolarHBondContact O-N 3.17Å; S700-L702 VanDerWaalsContact C-N 3.32Å; S700-L702 PolarHBondContact O-N 3.4Å; L702-L705 PolarHBondContact O-N 3.48Å; L702-L706 WeakPolarHBondContact O-CB 3.49Å; L702-L706 PolarHBondContact O-N 3.45Å
703F88.9Confident83.3Confident113 Ų11385.5 Ų85.550%0.49647%0.465SS..Hα-helixtrans-66.9-42.2173.6-61.8-65.1000111.6I696 F699 S700 L706 C707I696-F703 HydrophobicContact CG2-CE2 4.28Å; F699-F703 HydrophobicContact CB-CE2 3.96Å; F699-F703 WeakPolarHBondContact O-CD2 3.38Å; F699-F703 PolarHBondContact O-N 3.12Å; S700-F703 PolarHBondContact O-N 3Å; F703-L706 WeakPolarHBondContact O-CB 3.42Å; F703-L706 PolarHBondContact O-N 2.88Å; F703-C707 PolarHBondContact O-N 3.01Å; F703-C707 PolarHBondContact O-SG 2.73Å; F703-C707 VanDerWaalsContact O-SG 3.39Å
704V89.6Confident85.1Confident74 Ų7481.3 Ų81.345%0.44845%0.447SS..Hα-helixtrans-61.3-44.7173.91740000111.2S700 G701 L706 C707 I708S700-V704 WeakPolarHBondContact O-CG2 3.38Å; S700-V704 PolarHBondContact O-N 2.95Å; G701-V704 PolarHBondContact O-N 2.94Å; V704-L706 VanDerWaalsContact C-N 3.32Å; V704-L706 PolarHBondContact O-N 3.29Å; V704-C707 PolarHBondContact O-N 3.24Å; V704-I708 HydrophobicContact CG1-CD1 3.98Å; V704-I708 WeakPolarHBondContact O-CG1 3.32Å; V704-I708 PolarHBondContact O-N 2.89Å
705L89.4Confident86.5Confident94 Ų9483.5 Ų83.549%0.49246%0.459SS..Hα-helixtrans-61.9-38.3176.6-175.464.7000112.2F437 G701 L702 I708 G709F437-L705 HydrophobicContact CE2-CD2 4.2Å; F437-L705 HydrophobicContact CZ-CD2 4.1Å; G701-L705 VanDerWaalsContact O-CB 3.32Å; G701-L705 WeakPolarHBondContact O-CB 3.3Å; G701-L705 PolarHBondContact O-N 3.45Å; L702-L705 PolarHBondContact O-N 3.48Å; L705-I708 PolarHBondContact O-N 3.27Å; L705-G709 PolarHBondContact O-N 3.4Å
706L90.9Very high87.6Confident123 Ų12386.3 Ų86.364%0.64447%0.47SS*.Hα-helixtrans-63.8-43.3174.7-178.663.1000111.9L702 F703 V704 G709 F710L702-L706 WeakPolarHBondContact O-CB 3.49Å; L702-L706 PolarHBondContact O-N 3.45Å; F703-L706 WeakPolarHBondContact O-CB 3.42Å; F703-L706 PolarHBondContact O-N 2.88Å; V704-L706 VanDerWaalsContact C-N 3.32Å; V704-L706 PolarHBondContact O-N 3.29Å; L706-G709 PolarHBondContact O-N 2.98Å; L706-F710 PolarHBondContact O-N 3.24Å
707C92.7Very high88.4Confident90 Ų9084 Ų8461%0.60846%0.462SS*.Hα-helixtrans-62-42.5174.7-69.60000112.2F703 V704 F710 G711F703-C707 PolarHBondContact O-N 3.01Å; F703-C707 PolarHBondContact O-SG 2.73Å; F703-C707 VanDerWaalsContact O-SG 3.39Å; V704-C707 PolarHBondContact O-N 3.24Å; C707-F710 PolarHBondContact O-N 3.02Å; C707-G711 PolarHBondContact O-N 3.28Å
708I93.4Very high89.4Confident94 Ų9480.8 Ų80.848%0.48245%0.451SS..Hα-helixtrans-61.9-44.9174-67.2166000110.5V704 L705 F710 G711 L712V704-I708 HydrophobicContact CG1-CD1 3.98Å; V704-I708 WeakPolarHBondContact O-CG1 3.32Å; V704-I708 PolarHBondContact O-N 2.89Å; L705-I708 PolarHBondContact O-N 3.27Å; I708-F710 VanDerWaalsContact C-N 3.34Å; I708-F710 PolarHBondContact O-N 3.27Å; I708-G711 PolarHBondContact O-N 3.43Å; I708-L712 HydrophobicContact CG2-CD1 4Å; I708-L712 HydrophobicContact CG2-CG 4.46Å; I708-L712 WeakPolarHBondContact O-CG 3.46Å; I708-L712 PolarHBondContact O-N 2.9Å
709G92.8Very high90.2Very high39 Ų3978.6 Ų78.640%0.40245%0.449SS..Hα-helixtrans-60.9-39.1176.300000113.4L705 L706 S713L705-G709 PolarHBondContact O-N 3.4Å; L706-G709 PolarHBondContact O-N 2.98Å; G709-S713 WeakPolarHBondContact O-CB 3.29Å; G709-S713 PolarHBondContact O-N 3.45Å
710F95.1Very high90.7Very high140 Ų14081.7 Ų81.761%0.61447%0.465SS*.Hα-helixtrans-66.9-43.6174.4-175.2-109.4000112L706 C707 I708 L712 S713 I714L706-F710 PolarHBondContact O-N 3.24Å; C707-F710 PolarHBondContact O-N 3.02Å; I708-F710 VanDerWaalsContact C-N 3.34Å; I708-F710 PolarHBondContact O-N 3.27Å; F710-L712 PolarHBondContact O-N 3.46Å; F710-S713 WeakPolarHBondContact O-CB 3.46Å; F710-S713 PolarHBondContact O-N 3.34Å; F710-I714 HydrophobicContact CD1-CD1 3.94Å; F710-I714 HydrophobicContact CE1-CD1 3.46Å; F710-I714 VanDerWaalsContact CE1-CD1 3.46Å; F710-I714 HydrophobicContact CE1-CG1 4.48Å; F710-I714 HydrophobicContact CE2-CD1 4.44Å; F710-I714 HydrophobicContact CZ-CD1 3.75Å; F710-I714 HydrophobicContact CZ-CG1 4.48Å; F710-I714 PolarHBondContact O-N 3.42Å
711G94.5Very high90.9Very high37 Ų3786.1 Ų86.138%0.38148%0.481SS..Hα-helixtrans-59.7-43.8173.800000112.8C707 I708 I714 L715C707-G711 PolarHBondContact O-N 3.28Å; I708-G711 PolarHBondContact O-N 3.43Å; G711-I714 PolarHBondContact O-N 2.95Å; G711-L715 WeakPolarHBondContact O-CB 3.48Å; G711-L715 PolarHBondContact O-N 3.49Å
712L94.3Very high90.9Very high98 Ų9889.8 Ų89.851%0.51350%0.498SS..Hα-helixtrans-66.8-34.5174.8-70.4172.3000112.8I708 F710 L715 T716I708-L712 HydrophobicContact CG2-CD1 4Å; I708-L712 HydrophobicContact CG2-CG 4.46Å; I708-L712 WeakPolarHBondContact O-CG 3.46Å; I708-L712 PolarHBondContact O-N 2.9Å; F710-L712 PolarHBondContact O-N 3.46Å; L712-L715 HydrophobicContact CD2-CD2 4.46Å; L712-L715 PolarHBondContact O-N 2.98Å; L712-T716 WeakPolarHBondContact O-CB 3.24Å; L712-T716 WeakPolarHBondContact O-CG2 3.38Å; L712-T716 PolarHBondContact O-N 3.07Å; L712-T716 PolarHBondContact O-OG1 2.71Å
713S93.4Very high90.7Very high62 Ų6288.4 Ų88.443%0.43449%0.493SS..Hα-helixtrans-63.8-44.3172.9-171.80000111.7G709 F710 T716 T717G709-S713 WeakPolarHBondContact O-CB 3.29Å; G709-S713 PolarHBondContact O-N 3.45Å; F710-S713 WeakPolarHBondContact O-CB 3.46Å; F710-S713 PolarHBondContact O-N 3.34Å; S713-T716 PolarHBondContact O-OG1 3.48Å; S713-T716 VanDerWaalsContact O-OG1 3.11Å; S713-T717 WeakPolarHBondContact O-CB 3.44Å; S713-T717 PolarHBondContact O-N 3.15Å; S713-T717 PolarHBondContact O-OG1 3.47Å
714I94.1Very high90.2Very high75 Ų7587.9 Ų87.939%0.38549%0.492SS..Hα-helixtrans-63.6-47.4173.6-71.2172.7000110.6F710 G711 T716 T717 I718F710-I714 HydrophobicContact CD1-CD1 3.94Å; F710-I714 HydrophobicContact CE1-CD1 3.46Å; F710-I714 VanDerWaalsContact CE1-CD1 3.46Å; F710-I714 HydrophobicContact CE1-CG1 4.48Å; F710-I714 HydrophobicContact CE2-CD1 4.44Å; F710-I714 HydrophobicContact CZ-CD1 3.75Å; F710-I714 HydrophobicContact CZ-CG1 4.48Å; F710-I714 PolarHBondContact O-N 3.42Å; G711-I714 PolarHBondContact O-N 2.95Å; I714-T716 VanDerWaalsContact C-N 3.35Å; I714-T716 PolarHBondContact O-N 2.86Å; I714-T717 PolarHBondContact O-N 3.2Å; I714-I718 HydrophobicContact CG2-CD1 3.63Å; I714-I718 HydrophobicContact CG2-CG1 4.34Å; I714-I718 WeakPolarHBondContact O-CB 3.43Å; I714-I718 VanDerWaalsContact O-CG1 3.31Å; I714-I718 WeakPolarHBondContact O-CG1 3.41Å; I714-I718 PolarHBondContact O-N 3.17Å
715L91.9Very high89.6Confident114 Ų11492.1 Ų92.160%0.59750%0.5SS*.Hα-helixtrans-60.7-42.1-179.7-173.369.6000112.2G711 L712 G719G711-L715 WeakPolarHBondContact O-CB 3.48Å; G711-L715 PolarHBondContact O-N 3.49Å; L712-L715 HydrophobicContact CD2-CD2 4.46Å; L712-L715 PolarHBondContact O-N 2.98Å; L715-G719 PolarHBondContact O-N 3.33Å
716T91.3Very high88.8Confident93 Ų9391.4 Ų91.457%0.57150%0.496SS*.Hα-helixtrans-71.4-35.517748.50000112.4L712 S713 I714 G719 E720L712-T716 WeakPolarHBondContact O-CB 3.24Å; L712-T716 WeakPolarHBondContact O-CG2 3.38Å; L712-T716 PolarHBondContact O-N 3.07Å; L712-T716 PolarHBondContact O-OG1 2.71Å; S713-T716 PolarHBondContact O-OG1 3.48Å; S713-T716 VanDerWaalsContact O-OG1 3.11Å; I714-T716 VanDerWaalsContact C-N 3.35Å; I714-T716 PolarHBondContact O-N 2.86Å; T716-G719 CarbonylContact O-C 3.59Å; T716-G719 PolarHBondContact O-N 3Å; T716-E720 PolarHBondContact O-N 2.98Å
717T91.7Very high87.6Confident87 Ų8789.4 Ų89.453%0.53449%0.486SS..Hα-helixtrans-64.7-43.4172.7-56.50000111.5S713 I714 G719 E720 H721S713-T717 WeakPolarHBondContact O-CB 3.44Å; S713-T717 PolarHBondContact O-N 3.15Å; S713-T717 PolarHBondContact O-OG1 3.47Å; I714-T717 PolarHBondContact O-N 3.2Å; T717-G719 VanDerWaalsContact C-N 3.33Å; T717-E720 PolarHBondContact O-N 3.38Å; T717-H721 WeakPolarHBondContact O-CB 3.48Å; T717-H721 PolarHBondContact O-N 3.5Å
718I90.5Very high86.3Confident89 Ų8985.8 Ų85.846%0.45646%0.46SS..Hα-helixtrans-63.2-41.2172.7-69.6170.3000110.3I714 H721 I722I714-I718 HydrophobicContact CG2-CD1 3.63Å; I714-I718 HydrophobicContact CG2-CG1 4.34Å; I714-I718 WeakPolarHBondContact O-CB 3.43Å; I714-I718 VanDerWaalsContact O-CG1 3.31Å; I714-I718 WeakPolarHBondContact O-CG1 3.41Å; I714-I718 PolarHBondContact O-N 3.17Å; I718-H721 PolarHBondContact O-N 3.46Å; I718-I722 HydrophobicContact CG2-CD1 3.74Å; I718-I722 HydrophobicContact CG2-CG1 4.38Å; I718-I722 WeakPolarHBondContact O-CB 3.46Å; I718-I722 VanDerWaalsContact O-CG1 3.29Å; I718-I722 WeakPolarHBondContact O-CG1 3.4Å; I718-I722 PolarHBondContact O-N 3.17Å
719G88.8Confident85Confident30 Ų3084.2 Ų84.231%0.30946%0.456SS..Hα-helixtrans-59.2-48.5174.400000112.8L715 T716 T717 H721 I722 V723L715-G719 PolarHBondContact O-N 3.33Å; T716-G719 CarbonylContact O-C 3.59Å; T716-G719 PolarHBondContact O-N 3Å; T717-G719 VanDerWaalsContact C-N 3.33Å; G719-H721 VanDerWaalsContact C-N 3.35Å; G719-H721 PolarHBondContact O-N 3.39Å; G719-I722 PolarHBondContact O-N 3.39Å; G719-V723 WeakPolarHBondContact O-CB 3.48Å; G719-V723 VanDerWaalsContact O-CG2 3.26Å; G719-V723 WeakPolarHBondContact O-CG2 3.47Å; G719-V723 PolarHBondContact O-N 3.24Å
720E89.1Confident83.6Confident144 Ų14490.4 Ų90.467%0.67347%0.467SS*.Hα-helixtrans-61.8-42174.8-176.9168.2-162.500111.2T716 T717 I722 V723 H724T716-E720 PolarHBondContact O-N 2.98Å; T717-E720 PolarHBondContact O-N 3.38Å; E720-I722 PolarHBondContact O-N 3.37Å; E720-V723 PolarHBondContact O-N 2.93Å; E720-H724 VanDerWaalsContact O-CB 3.27Å; E720-H724 WeakPolarHBondContact O-CB 3.31Å; E720-H724 PolarHBondContact O-N 3.13Å
721H85.6Confident82Confident131 Ų13186.6 Ų86.661%0.60645%0.453SS*.Hα-helixtrans-64.2-40.3176.4-166.167.9000112.5T717 I718 G719 H724 R725T717-H721 WeakPolarHBondContact O-CB 3.48Å; T717-H721 PolarHBondContact O-N 3.5Å; I718-H721 PolarHBondContact O-N 3.46Å; G719-H721 VanDerWaalsContact C-N 3.35Å; G719-H721 PolarHBondContact O-N 3.39Å; H721-H724 PolarHBondContact O-N 3.05Å; H721-R725 PolarHBondContact NE2-NH1 3.34Å; H721-R725 WeakPolarHBondContact O-CB 3.34Å; H721-R725 PolarHBondContact O-N 3.05Å
722I84.2Confident80.3Confident81 Ų8191.1 Ų91.142%0.41546%0.462SS..Hα-helixtrans-64.7-44.3173.3-74.5169.5000110.7I718 G719 E720 H724 L726 L727I718-I722 HydrophobicContact CG2-CD1 3.74Å; I718-I722 HydrophobicContact CG2-CG1 4.38Å; I718-I722 WeakPolarHBondContact O-CB 3.46Å; I718-I722 VanDerWaalsContact O-CG1 3.29Å; I718-I722 WeakPolarHBondContact O-CG1 3.4Å; I718-I722 PolarHBondContact O-N 3.17Å; G719-I722 PolarHBondContact O-N 3.39Å; E720-I722 PolarHBondContact O-N 3.37Å; I722-H724 PolarHBondContact O-N 3.46Å; I722-L726 HydrophobicContact CG2-CD1 4.37Å; I722-L726 WeakPolarHBondContact O-CA 3.45Å; I722-L726 WeakPolarHBondContact O-CB 3.34Å; I722-L726 PolarHBondContact O-N 2.96Å; I722-L727 PolarHBondContact O-N 2.89Å
723V82.5Confident78.5Confident48 Ų4893.4 Ų93.429%0.29148%0.475SS..Iπ-helixtrans-60.5-47.8176.1169.50000110.4G719 E720 L727 L728 F747G719-V723 WeakPolarHBondContact O-CB 3.48Å; G719-V723 VanDerWaalsContact O-CG2 3.26Å; G719-V723 WeakPolarHBondContact O-CG2 3.47Å; G719-V723 PolarHBondContact O-N 3.24Å; E720-V723 PolarHBondContact O-N 2.93Å; V723-L727 HydrophobicContact CB-CD1 4.45Å; V723-L727 HydrophobicContact CG2-CD1 3.86Å; V723-L727 WeakPolarHBondContact O-CA 3.29Å; V723-L727 WeakPolarHBondContact O-CB 3.47Å; V723-L727 PolarHBondContact O-N 2.88Å; V723-L727 VanDerWaalsContact O-N 3.15Å; V723-L728 PolarHBondContact O-N 3.43Å; V723-F747 HydrophobicContact CG1-CE1 3.96Å; V723-F747 HydrophobicContact CG1-CZ 3.99Å
724H78.3Confident76.7Confident103 Ų10397.9 Ų97.948%0.47749%0.486SS..Iπ-helixtrans-69.1-37.5-177.8-165-71.6000113.1E720 H721 I722 L728E720-H724 VanDerWaalsContact O-CB 3.27Å; E720-H724 WeakPolarHBondContact O-CB 3.31Å; E720-H724 PolarHBondContact O-N 3.13Å; H721-H724 PolarHBondContact O-N 3.05Å; I722-H724 PolarHBondContact O-N 3.46Å; H724-L728 HydrophobicContact CB-CD1 4.35Å
725R76.8Confident74.7Confident162 Ų16299.5 Ų99.561%0.61151%0.505SS*.Iπ-helixtrans-97.3-22.2-171.5-158.4175.9-169.6-173.15.9114.2H721 P729H721-R725 PolarHBondContact NE2-NH1 3.34Å; H721-R725 WeakPolarHBondContact O-CB 3.34Å; H721-R725 PolarHBondContact O-N 3.05Å; R725-P729 WeakPolarHBondContact O-CG 3.5Å
726L72.1Confident72.9Confident79 Ų79104 Ų10441%0.41452%0.519SS..Iπ-helixtrans-120.2-42-179.4-64.7172.2000113.6I722 R730I722-L726 HydrophobicContact CG2-CD1 4.37Å; I722-L726 WeakPolarHBondContact O-CA 3.45Å; I722-L726 WeakPolarHBondContact O-CB 3.34Å; I722-L726 PolarHBondContact O-N 2.96Å; L726-R730 WeakPolarHBondContact O-CB 3.26Å; L726-R730 VanDerWaalsContact O-CD 3.28Å; L726-R730 WeakPolarHBondContact O-CD 3.38Å; L726-R730 WeakPolarHBondContact O-CG 3.38Å; L726-R730 PolarHBondContact O-N 2.93Å
727L66.6Low71.2Confident82 Ų82103.9 Ų103.943%0.42952%0.515SS..Iπ-helixtrans-79.5-47.1-178.7-76.2160.3000112.8I722 V723 R730 I731I722-L727 PolarHBondContact O-N 2.89Å; V723-L727 HydrophobicContact CB-CD1 4.45Å; V723-L727 HydrophobicContact CG2-CD1 3.86Å; V723-L727 WeakPolarHBondContact O-CA 3.29Å; V723-L727 WeakPolarHBondContact O-CB 3.47Å; V723-L727 PolarHBondContact O-N 2.88Å; V723-L727 VanDerWaalsContact O-N 3.15Å; L727-R730 PolarHBondContact O-N 3.45Å; L727-I731 HydrophobicContact CB-CD1 4.32Å; L727-I731 WeakPolarHBondContact O-CB 3.41Å; L727-I731 VanDerWaalsContact O-CG1 3.27Å; L727-I731 WeakPolarHBondContact O-CG1 3.39Å; L727-I731 PolarHBondContact O-N 2.91Å
728L66Low69.3Low13 Ų13107.3 Ų107.37%0.06853%0.525CS..Hα-helixtrans-52.1-51.7177-67.5-174.6000113.4V723 H724 I731 K732 F747 L751V723-L728 PolarHBondContact O-N 3.43Å; H724-L728 HydrophobicContact CB-CD1 4.35Å; L728-I731 PolarHBondContact O-N 3.36Å; L728-K732 WeakPolarHBondContact O-CB 3.37Å; L728-K732 PolarHBondContact O-N 3.18Å; L728-F747 HydrophobicContact CD2-CD1 3.64Å; L728-F747 HydrophobicContact CD2-CE1 3.74Å; L728-L751 HydrophobicContact CB-CD2 4.13Å; L728-L751 HydrophobicContact CD2-CD1 4.5Å; L728-L751 HydrophobicContact CD2-CD2 4Å; L728-L751 HydrophobicContact CD2-CG 4.09Å; L728-L751 HydrophobicContact CG-CD2 4.49Å
729P65Low67.3Low62 Ų62113.7 Ų113.740%0.40355%0.545SS..Hα-helixtrans-67.7-34.8178.324.6-33.1000113.3R725 K732 N733R725-P729 WeakPolarHBondContact O-CG 3.5Å; P729-K732 PolarHBondContact O-N 3.22Å; P729-N733 PolarHBondContact O-N 2.9Å
730R64Low65.3Low168 Ų168122 Ų12263%0.63457%0.567SS**Hα-helixtrans-68.9-34176.6-74175.9177.2165.2-2.2112.8L726 L727L726-R730 WeakPolarHBondContact O-CB 3.26Å; L726-R730 VanDerWaalsContact O-CD 3.28Å; L726-R730 WeakPolarHBondContact O-CD 3.38Å; L726-R730 WeakPolarHBondContact O-CG 3.38Å; L726-R730 PolarHBondContact O-N 2.93Å; L727-R730 PolarHBondContact O-N 3.45Å
731I62.4Low63.5Low60 Ų60117 Ų11731%0.30855%0.545SS..Hα-helixtrans-71.2-40.2173.2-68.5165.6000110.3L727 L728 N733 K734 L741L727-I731 HydrophobicContact CB-CD1 4.32Å; L727-I731 WeakPolarHBondContact O-CB 3.41Å; L727-I731 VanDerWaalsContact O-CG1 3.27Å; L727-I731 WeakPolarHBondContact O-CG1 3.39Å; L727-I731 PolarHBondContact O-N 2.91Å; L728-I731 PolarHBondContact O-N 3.36Å; I731-N733 PolarHBondContact O-N 3.41Å; I731-K734 PolarHBondContact O-N 3.34Å; I731-L741 HydrophobicContact CG2-CD1 4.27Å
732K57.1Low61.6Low132 Ų132118.6 Ų118.657%0.57455%0.552SS**Hα-helixtrans-59.3-26.8176.4-160.7164.7-175.3166.60112.9L728 P729 L751L728-K732 WeakPolarHBondContact O-CB 3.37Å; L728-K732 PolarHBondContact O-N 3.18Å; P729-K732 PolarHBondContact O-N 3.22Å; K732-L751 HydrophobicContact CD-CD2 4.49Å; K732-L751 PolarHBondContact NZ-O 3.5Å
733N58Low59.6Low147 Ų147120.3 Ų120.379%0.78657%0.566SS**THydrogen-bonded Turntrans-88.50.7174.4-77.611.7000115.4P729 I731P729-N733 PolarHBondContact O-N 2.9Å; I731-N733 PolarHBondContact O-N 3.41Å
734K55.1Low58Low155 Ų155120.1 Ų120.167%0.67457%0.567SS**  trans-124.992.8177.1-75.4-167.6175.8-174.40111.9I731 K736I731-K734 PolarHBondContact O-N 3.34Å; K734-K736 PolarHBondContact O-N 3.44Å
735S52.8Low56.7Low110 Ų110122.2 Ų122.277%0.76958%0.577SS**G310 helixtrans-57.4-18.1-17652.50000116.4L737S735-L737 VanDerWaalsContact C-N 3.32Å; S735-L737 PolarHBondContact O-N 2.95Å
736K53.7Low55.3Low208 Ų208123.7 Ų123.790%0.90458%0.583SS**G310 helixtrans-76.2-3.2-175.4-107.6-176.1177.6-177.70116.4K734K734-K736 PolarHBondContact O-N 3.44Å
737L54.5Low54.1Low90 Ų90124.3 Ų124.347%0.47158%0.582SS.*G310 helixtrans-102.18.4-178-89.2163.6000115.1S735 Y739 W740S735-L737 VanDerWaalsContact C-N 3.32Å; S735-L737 PolarHBondContact O-N 2.95Å; L737-Y739 PolarHBondContact O-N 3.41Å; L737-Y739 VanDerWaalsContact O-N 3.11Å; L737-W740 HydrophobicContact CD2-CB 4.39Å; L737-W740 PolarHBondContact O-N 2.95Å; L737-W740 VanDerWaalsContact O-N 3.11Å
738Q51.9Low53.3Low159 Ų159125 Ų12574%0.74358%0.583SS**G310 helixtrans-57.8-29.5-172.2-161.7170.66.900114.5
739Y49.4Very low52.7Low223 Ų223130.5 Ų130.588%0.87560%0.603SS**G310 helixtrans-68.3-35.1178.7-160.5-97.6000113.2L737 L741L737-Y739 PolarHBondContact O-N 3.41Å; L737-Y739 VanDerWaalsContact O-N 3.11Å; Y739-L741 VanDerWaalsContact C-N 3.3Å; Y739-L741 PolarHBondContact O-N 3.22Å
740W46.8Very low51.9Low204 Ų204129.4 Ų129.477%0.77360%0.599SS**G310 helixtrans-77.5-14.9-176.4-130.788.1000113.3L737 T743L737-W740 HydrophobicContact CD2-CB 4.39Å; L737-W740 PolarHBondContact O-N 2.95Å; L737-W740 VanDerWaalsContact O-N 3.11Å; W740-T743 PolarHBondContact O-OG1 3.34Å
741L49.9Very low51.3Low41 Ų41122.8 Ų122.822%0.21558%0.576CS.*G310 helixtrans-78.8-14.8178.2-90130.4000114.1I731 Y739 T743 L751I731-L741 HydrophobicContact CG2-CD1 4.27Å; Y739-L741 VanDerWaalsContact C-N 3.3Å; Y739-L741 PolarHBondContact O-N 3.22Å; L741-T743 VanDerWaalsContact C-N 3.26Å; L741-T743 PolarHBondContact O-N 2.97Å; L741-L751 HydrophobicContact CD2-CD1 3.48Å; L741-L751 VanDerWaalsContact CD2-CD1 3.48Å
742H45.8Very low50.4Low163 Ų163125.4 Ų125.476%0.75559%0.591SS**G310 helixtrans-76.4-11.5-172.9-148-82.3000114.1
743T43.6Very low49.8Very low117 Ų117124.8 Ų124.872%0.71860%0.598SS**G310 helixtrans-86.5-16.6-17855.80000114W740 L741W740-T743 PolarHBondContact O-OG1 3.34Å; L741-T743 VanDerWaalsContact C-N 3.26Å; L741-T743 PolarHBondContact O-N 2.97Å
744S47.8Very low48.6Very low45 Ų45121.6 Ų121.632%0.31559%0.587SS.*  trans-130.193-177.865.10000113.5R746 F747 H748S744-R746 PolarHBondContact O-N 2.92Å; S744-F747 PolarHBondContact O-N 2.84Å; S744-H748 PolarHBondContact O-N 3.39Å
745Q51.6Low47.7Very low146 Ų146123.1 Ų123.168%0.68260%0.595SS**THydrogen-bonded Turntrans-56.8-12177.9-64.7-176.3-4.500115R749Q745-R749 WeakPolarHBondContact O-CG 3.43Å
746R47.3Very low46.7Very low194 Ų194124.3 Ų124.373%0.73260%0.597SS**THydrogen-bonded Turntrans-83.2-45.1179-148.8171.3-177.2169.6-3.6111.8S744 H748 R749 A750S744-R746 PolarHBondContact O-N 2.92Å; R746-H748 VanDerWaalsContact C-N 3.33Å; R746-H748 PolarHBondContact O-N 3.36Å; R746-R749 PolarHBondContact O-N 3.39Å; R746-A750 PolarHBondContact O-N 2.74Å
747F47.5Very low45.7Very low92 Ų92121.4 Ų121.440%0.40459%0.586SS.*Hα-helixtrans-60.9-42.8172.8-93.3-92.1000111.6V723 L728 S744 R749 A750 L751V723-F747 HydrophobicContact CG1-CE1 3.96Å; V723-F747 HydrophobicContact CG1-CZ 3.99Å; L728-F747 HydrophobicContact CD2-CD1 3.64Å; L728-F747 HydrophobicContact CD2-CE1 3.74Å; S744-F747 PolarHBondContact O-N 2.84Å; F747-R749 PolarHBondContact O-N 2.88Å; F747-R749 VanDerWaalsContact O-N 3.15Å; F747-A750 PolarHBondContact O-N 3.45Å; F747-A750 VanDerWaalsContact O-N 3.16Å; F747-L751 PolarHBondContact O-N 3.21Å; F747-L751 VanDerWaalsContact O-N 3.07Å
748H50.1Low44.5Very low97 Ų97125.6 Ų125.645%0.44960%0.604SS.*Hα-helixtrans-66-15.9179.9-150.8-43.7000113.8S744 R746S744-H748 PolarHBondContact O-N 3.39Å; R746-H748 VanDerWaalsContact C-N 3.33Å; R746-H748 PolarHBondContact O-N 3.36Å
749R52.5Low43.4Very low127 Ų127126.5 Ų126.548%0.47961%0.605SS.*Hα-helixtrans-87.2-44169.6-73.3-179.9-177.7173.64.2112.1N479 Q745 R746 F747 L751 N752 T753N479-R749 PolarHBondContact O-NH1 3.11Å; N479-R749 VanDerWaalsContact O-NH1 3.12Å; Q745-R749 WeakPolarHBondContact O-CG 3.43Å; R746-R749 PolarHBondContact O-N 3.39Å; F747-R749 PolarHBondContact O-N 2.88Å; F747-R749 VanDerWaalsContact O-N 3.15Å; R749-L751 VanDerWaalsContact C-N 3.26Å; R749-L751 PolarHBondContact O-N 2.92Å; R749-N752 PolarHBondContact O-N 3.48Å; R749-N752 VanDerWaalsContact O-N 3.12Å; R749-T753 PolarHBondContact O-N 2.95Å
750A48.5Very low42.5Very low39 Ų39125 Ų12532%0.32261%0.606SS.*Hα-helixtrans-60.2-33.9178.200000113.1R746 F747 N752 T753R746-A750 PolarHBondContact O-N 2.74Å; F747-A750 PolarHBondContact O-N 3.45Å; F747-A750 VanDerWaalsContact O-N 3.16Å; A750-N752 VanDerWaalsContact C-N 3.26Å; A750-N752 PolarHBondContact O-N 2.96Å; A750-T753 PolarHBondContact O-OG1 2.88Å
751L50.8Low41.8Very low30 Ų30121.1 Ų121.116%0.15761%0.607CS.*THydrogen-bonded Turntrans-69.8-16.7177-80.4164.4000115.2L728 K732 L741 F747 R749L728-L751 HydrophobicContact CB-CD2 4.13Å; L728-L751 HydrophobicContact CD2-CD1 4.5Å; L728-L751 HydrophobicContact CD2-CD2 4Å; L728-L751 HydrophobicContact CD2-CG 4.09Å; L728-L751 HydrophobicContact CG-CD2 4.49Å; K732-L751 HydrophobicContact CD-CD2 4.49Å; K732-L751 PolarHBondContact NZ-O 3.5Å; L741-L751 HydrophobicContact CD2-CD1 3.48Å; L741-L751 VanDerWaalsContact CD2-CD1 3.48Å; F747-L751 PolarHBondContact O-N 3.21Å; F747-L751 VanDerWaalsContact O-N 3.07Å; R749-L751 VanDerWaalsContact C-N 3.26Å; R749-L751 PolarHBondContact O-N 2.92Å
752N43.7Very low40.6Very low114 Ų114130.2 Ų130.261%0.6164%0.639SS**THydrogen-bonded Turntrans-110.5-2-173-8112.6000114.2R749 A750 S754R749-N752 PolarHBondContact O-N 3.48Å; R749-N752 VanDerWaalsContact O-N 3.12Å; A750-N752 VanDerWaalsContact C-N 3.26Å; A750-N752 PolarHBondContact O-N 2.96Å; N752-S754 PolarHBondContact O-N 3.34Å; N752-S754 VanDerWaalsContact O-N 3.16Å
753T44.6Very low39.6Very low120 Ų120127.1 Ų127.174%0.73664%0.635SS**  trans-85.776.8172.8460000111R749 A750R749-T753 PolarHBondContact O-N 2.95Å; A750-T753 PolarHBondContact O-OG1 2.88Å
754S33.4Very low38.9Very low79 Ų79130.7 Ų130.755%0.55264%0.641SS**  trans-121.7119.4172.154.70000110.9N752N752-S754 PolarHBondContact O-N 3.34Å; N752-S754 VanDerWaalsContact O-N 3.16Å
755F34.7Very low37.8Very low188 Ų188134.3 Ų134.383%0.82566%0.661SS**  trans22105.8159.9-82.1-105.7000117.9E757F755-E757 HydrophobicContact CD1-CB 4.37Å
756V32.7Very low36.7Very low134 Ų134137.3 Ų137.381%0.81267%0.672SS**  trans-108.795.8147.9178.30000106.7E758V756-E758 HydrophobicContact CG1-CB 4.3Å
757E32Very low35.6Very low147 Ų147139 Ų13969%0.68768%0.679SS**  trans-10583.5172.5-172.2-176.3164.800108.2F755F755-E757 HydrophobicContact CD1-CB 4.37Å
758E29.2Very low34.6Very low179 Ų179140.4 Ų140.484%0.83669%0.694SS**PPolyproline II helixtrans-95.2117.8-176.1-164.3164.7-13200110.9V756V756-E758 HydrophobicContact CG1-CB 4.3Å
759K30.3Very low33.5Very low177 Ų177142.5 Ų142.577%0.7770%0.704SS**PPolyproline II helixtrans-77.8140.6-176.3-69.8175.6178.3172.80111.5
760Q29Very low32.2Very low191 Ų191144.7 Ų144.789%0.89372%0.717SS**PPolyproline II helixtrans-59.9152.4171.6-66.9-179.2-23.100113
761P33.2Very low31.2Very low124 Ų124147.7 Ų147.781%0.80574%0.736SS**  trans-130.4116.7135.434.5-23.7000114.9
762R25.1Very low30Very low232 Ų232154.8 Ų154.888%0.87576%0.76SS**  trans16.2119.1144.1-80.4179.1170.2176-2.8121.3
763S24.8Very low29Very low97 Ų97157.7 Ų157.768%0.67876%0.763SS**  113.8134.8103.674.60000122.3
764K27.6Very low28.2Very low193 Ų193161.1 Ų161.184%0.83976%0.762SS**  trans64.8149.5156.2-62.5170.4-178.8178.90116
765T26.3Very low27.6Very low121 Ų121167.2 Ų167.274%0.74277%0.773SS**  cis-157.4169.418.7-240000113
766K26.6Very low27.2Very low209 Ų209169.8 Ų169.891%0.90978%0.777SS**  trans83.8153.9156-73.9-176.4177.8-179.70120.1
767R24.8Very low26.9Very low230 Ų230168.5 Ų168.587%0.86877%0.77SS**  trans-126.1166.4-160.7-149.5-168.8-160.5175.24.8106.7
768V26.2Very low26.7Very low120 Ų120167.3 Ų167.373%0.72778%0.777SS**  trans72.1138.1156.7159.30000114.8
769E26.6Very low26.5Very low142 Ų142166.4 Ų166.466%0.66477%0.77SS**  cis-153.6-1784.4-131.7-177.2146.900116.5
770K26.4Very low26.4Very low172 Ų172162.6 Ų162.675%0.74876%0.761SS**  trans-43.8151.9176.9-56.6150.1-172.2153.70117.9
771S26.9Very low26.3Very low102 Ų102160.5 Ų160.571%0.71375%0.752SS**  -178.9168.798.963.60000109.8
772R25.2Very low26Very low179 Ų179157.5 Ų157.568%0.67574%0.744SS**  cis-154.3142.510-153.2178.8-78.9-173.9-5.9106.3
773W24.3Very low26.1Very low176 Ų176154.2 Ų154.267%0.66774%0.743SS**  -174156.974.5-84.9105.1000113.3
774R26.8Very low26.1Very low191 Ų191154.7 Ų154.772%0.72175%0.746SS**  trans17.1123.3156.3-77.4179.9-78.3-140.32.5119.2
775R21.7Very low26.1Very low207 Ų207153.6 Ų153.678%0.78174%0.744SS**  60.6113.657.3-170.9178-72.6-179.3-2.8111.1
776W25.4Very low26.1Very low242 Ų242154 Ų15492%0.91774%0.741SS**  -126.4166.775.9-7184.9000115.8
777T26.6Very low26Very low108 Ų108148.7 Ų148.766%0.66373%0.73SS**  trans-155.8168.5-176510000112.4
778C27.1Very low26Very low121 Ų121145.3 Ų145.382%0.81873%0.729SS**  trans84.7154.9165.8-51.70000116.3
779K24.7Very low25.8Very low161 Ų161148.4 Ų148.470%0.773%0.733SS**  cis-148.1144.67.8-142.8-138.2150.1-132.20106.3E781K779-E781 IonicContact NZ-OE1 2.75Å; K779-E781 PolarHBondContact NZ-OE1 3.11Å; K779-E781 IonicContact NZ-OE2 3.51Å; K779-E781 PolarHBondContact NZ-OE2 2.89Å
780T29.3Very low26.8Very low96 Ų96146.2 Ų146.259%0.58973%0.731SS**  cis-153.5-120.91.3-9.70000109.8
781E25.6Very low26.7Very low148 Ų148149.4 Ų149.469%0.69274%0.738SS**  cis-159.4134-7-150.587-115.600110.7K779K779-E781 IonicContact NZ-OE1 2.75Å; K779-E781 PolarHBondContact NZ-OE1 3.11Å; K779-E781 IonicContact NZ-OE2 3.51Å; K779-E781 PolarHBondContact NZ-OE2 2.89Å
782G27.3Very low26.6Very low61 Ų61149.6 Ų149.663%0.62974%0.74SS**  trans73.6115.5156.800000118.4
783D27.2Very low26.7Very low163 Ų163148.2 Ų148.287%0.87275%0.746SS**  74.3128.761.9-65.6-2.9000112
784S26.1Very low26.8Very low106 Ų106148.1 Ų148.174%0.74176%0.757SS**  cis-158.6-176.56.3-93.90000113.2
785E27.7Very low26.6Very low171 Ų171142 Ų14280%0.79975%0.753SS**  trans-28.6177.9174.6-43.9-175110.900120.6
786L25.9Very low27.5Very low128 Ų128137.4 Ų137.467%0.6775%0.75SS**  cis-168.2152.123.4-166.672.4000113.8
787S25Very low27.5Very low98 Ų98134 Ų13469%0.68575%0.745SS**  trans65.6166.4153.569.40000120.7
788L24.2Very low27.4Very low159 Ų159137.1 Ų137.183%0.83275%0.752SS**  cis-148.4177.42.2-15469.1000112.9
789F22.2Very low27.2Very low185 Ų185139.7 Ų139.781%0.81176%0.756SS**  trans-75.1-173.8177.6-79.7-110.3000115.1
790P46.2Very low27.2Very low97 Ų97139.9 Ų139.963%0.6376%0.762SS**  cis-146.1-174.5-44.241.6-23.8000117.1
791R24.4Very low26.9Very low239 Ų239140.8 Ų140.890%0.90277%0.767SS**  trans69.6160.5152.2-84.2177.2179.2-177.9-0.5117.7
792S25.3Very low26.9Very low106 Ų106144.7 Ų144.774%0.74178%0.776SS**  cis-156.7169.7-3.234.70000113.2
793N27Very low26.6Very low149 Ų149148.9 Ų148.980%0.79778%0.784SS**  trans-46144.1-179.3-41.7-16.4000117.6
794L27.8Very low26.8Very low174 Ų174146.3 Ų146.391%0.91177%0.774SS**  -167.8169.7112.3-124.669.1000110.8
795G22.3Very low26.8Very low62 Ų62146.2 Ų146.264%0.63977%0.773SS**  trans-126.3-156.3168.200000110.3
796P40.5Very low26.7Very low111 Ų111144.7 Ų144.772%0.72177%0.771SS**  cis-135.8176.6-1.143.8-28.5000115
797Q24.1Very low27Very low172 Ų172146.4 Ų146.480%0.80478%0.78SS**  trans62.8162.3165.1-65.81723.900115
798Q24.5Very low27.2Very low172 Ų172146.9 Ų146.980%0.80478%0.783SS**  cis-148.2152.5-7.6-134.5172.88.900106.5
799L24.7Very low27.3Very low175 Ų175148 Ų14892%0.91678%0.784SS**  trans-149.3136172.4-117.7168000113.2
800M24.1Very low27.8Very low165 Ų165145.1 Ų145.181%0.81378%0.777SS**  trans-101.2166.8171.6-74.4-170.5176.100110.8
801V23.5Very low26.9Very low116 Ų116146.5 Ų146.570%0.70378%0.779SS**  trans66.1116.1141.2160.20000118.7
802W24Very low27.1Very low230 Ų230141.9 Ų141.987%0.87177%0.767SS**  trans35.8128143.3-58.673.7000120.9
803N22.6Very low27.2Very low148 Ų148147.2 Ų147.279%0.79177%0.771SS**  -163.9168.6100.3-142.4-18.3000113.9
804T30.2Very low27.1Very low110 Ų110147.8 Ų147.868%0.67577%0.767SS**  trans-90.9156.2169.253.40000112.7
805S26.6Very low26.9Very low104 Ų104150.8 Ų150.873%0.72777%0.768SS**  168.1155.212550.80000116.6
806N26.2Very low27Very low139 Ų139153.2 Ų153.274%0.74377%0.765SS**  trans66.8106.2143.9-64.1-3.6000125.1
807L31.4Very low26.1Very low164 Ų164156.6 Ų156.686%0.85977%0.768SS**  27.3134.8117.6-75.892.1000122.9
808S28.8Very low26.1Very low108 Ų108153.1 Ų153.176%0.75576%0.755SS**  -169.3164.5114490000108.6
809H28Very low26.1Very low182 Ų182151.5 Ų151.584%0.84375%0.752SS**  cis-150.2-156.625-137.6-64.2000112.8
810D31.2Very low26.1Very low125 Ų125151.8 Ų151.867%0.66875%0.749SS**  trans-144.4163.7-150170.348.5000114.2
811N28.8Very low26.2Very low125 Ų125153 Ų15367%0.66875%0.752SS**  trans166.1145.3155-91.5-49.3000110.6
812Q28.5Very low26.4Very low142 Ų142151.2 Ų151.266%0.66476%0.758SS**  cis-164.4138.21.5-139.3168.960.100113.9
813R26.6Very low26.6Very low219 Ų219148.3 Ų148.383%0.82675%0.754SS**  trans42.3154.2135.9-69.7-177.6-175.4-172.60.6123.7
814K25.3Very low27.1Very low160 Ų160149.3 Ų149.370%0.69676%0.76SS**  cis179.7143.5-23.6-149.8-174.3-168.5-164.90110.1
815Y23.1Very low27.1Very low238 Ų238152.1 Ų152.193%0.93377%0.765SS**  trans-172.3164.8140.6-109.9-74.3000109.9
816I24.2Very low27.1Very low112 Ų112155.5 Ų155.557%0.57477%0.774SS**  trans-150137-161.3-51.4170.6000112.3
817F22.3Very low27.2Very low182 Ų182151.7 Ų151.780%0.79877%0.768SS**  trans172.7122.7132.6-109.1-116.6000107.6
818N23.8Very low26.9Very low100 Ų100150.7 Ų150.754%0.53577%0.769SS.*  68.5136.186.7-70.961.8000112.7
819D24.5Very low26.7Very low137 Ų137154 Ų15473%0.73377%0.772SS**  cis-155-169.53.6-104.6-32.8000111.3
820E24.9Very low26.6Very low182 Ų182149.3 Ų149.385%0.8577%0.765SS**  trans95.3110.9161.7-59.4-171.716200120.9
821E25.4Very low26.4Very low189 Ų189151.1 Ų151.188%0.88377%0.769SS**  trans56.697.1137.5-51.8-153.4141.100123.1
822G28.9Very low26.3Very low80 Ų80154.4 Ų154.483%0.82578%0.78SS**  79.2100.710600000120.1
823Q27.2Very low26.2Very low168 Ų168152.9 Ų152.979%0.78578%0.777SS**  trans-148.2115.4160.9-106.9168.424.500113.1Q825Q823-Q825 HydrophobicContact CG-CG 4.5Å
824N33.3Very low26.5Very low170 Ų170149 Ų14991%0.90977%0.771SS**  trans-104.7134.2154.3-80.5-27.6000106.9
825Q29.9Very low26.7Very low169 Ų169147.3 Ų147.379%0.7978%0.776SS**  trans-141.5154177.9-75.1-165.4-10.600114Q823Q823-Q825 HydrophobicContact CG-CG 4.5Å
826L27.8Very low27Very low174 Ų174143.4 Ų143.491%0.91177%0.771SS**  trans-146.4129.4-174.3174.4136.7000109.7
827G26.5Very low27.6Very low60 Ų60143.4 Ų143.462%0.61978%0.778SS**  trans85131.9158.900000119.4
828T25.1Very low27.8Very low143 Ų143143.9 Ų143.988%0.87778%0.783SS**  trans61.8148.2155.924.70000118
829Q25Very low27.9Very low176 Ų176150.8 Ų150.882%0.82280%0.801SS**  cis-167.2156.531.6-149.5179.610.100112.1
830A26.5Very low28.1Very low84 Ų84155.2 Ų155.269%0.69481%0.808SS**  trans58.9176.5155.400000119.2
831H26.7Very low28.1Very low164 Ų164158.1 Ų158.176%0.75981%0.811SS**  cis-144.4156.7-1.9-134.7-78.3000108.8D833H831-D833 IonicContact CE1-OD2 2.73Å; H831-D833 PolarHBondContact CE1-OD2 3.32Å; H831-D833 VanDerWaalsContact CE1-OD2 3.24Å; H831-D833 IonicContact CG-OD2 2.69Å; H831-D833 IonicContact ND1-OD2 3.95Å; H831-D833 PolarHBondContact ND1-OD2 3.29Å
832Q26.1Very low28.2Very low193 Ų193156.9 Ų156.990%0.90281%0.805SS**  trans-153129171.4-133.4-177.922.300111.5
833D26.2Very low28.1Very low110 Ų110160.7 Ų160.759%0.58881%0.806SS**  trans-142126.1-164.8-92.2-70.8000115.1H831H831-D833 IonicContact CE1-OD2 2.73Å; H831-D833 PolarHBondContact CE1-OD2 3.32Å; H831-D833 VanDerWaalsContact CE1-OD2 3.24Å; H831-D833 IonicContact CG-OD2 2.69Å; H831-D833 IonicContact ND1-OD2 3.95Å; H831-D833 PolarHBondContact ND1-OD2 3.29Å
834I33.1Very low28.7Very low138 Ų138158.5 Ų158.571%0.70881%0.806SS**  trans41.3137.5150.4-13178.2000120.3
835P31.3Very low28.4Very low124 Ų124154.9 Ų154.981%0.80580%0.8SS**  -145.7122.795.835.1-18.3000116.9
836L27.7Very low28.3Very low156 Ų156152 Ų15282%0.81780%0.799SS**  trans46.5149.6141.4-67.3167.6000123.5
837P37.7Very low28.4Very low112 Ų112150.7 Ų150.773%0.72779%0.792SS**  trans-98.1165.9-168.739.3-37.8000115.8
838Q27.1Very low28.5Very low193 Ų193153.2 Ų153.290%0.90280%0.795SS**  trans-125104.2167.2-74.9-163.3-8.300115
839R25.4Very low28.7Very low244 Ų244153.2 Ų153.292%0.92180%0.795SS**  50.594.2126.4-145174.8-150.5168.87.4119
840R27.7Very low29.2Very low231 Ų231153 Ų15387%0.87280%0.8SS**  trans-61.9153.6154.4-169.5178.9-68.5-174.5-0.7110.3
841R26.1Very low29.4Very low243 Ų243152.3 Ų152.392%0.91780%0.8SS**  trans-127.9142.5176.1-159.4176.8-166.9168.63.1109.2
842E28Very low30.2Very low163 Ų163154.8 Ų154.876%0.76281%0.809SS**  trans-117.3179.6-170-61.3-171.8127.700113.4
843L26.9Very low30.4Very low160 Ų160148.5 Ų148.584%0.83879%0.79SS**  trans82.8147.7164.3-59.8155.2000117.2
844P39Very low30.8Very low122 Ų122150.1 Ų150.179%0.79280%0.799SS**  cis-132.1-178-25.436.4-18.3000113.5
845A26.9Very low31Very low94 Ų94148.5 Ų148.578%0.77780%0.8SS**  trans-96.5162.5179.500000113.9
846S28.8Very low31.4Very low109 Ų109148.7 Ų148.776%0.76279%0.793SS**  trans174.8162.1130.647.10000115.1
847L28Very low32Very low146 Ų146146.4 Ų146.476%0.76478%0.782SS**  trans78.383.5154.9-71.2153.9000121.9
848T29.9Very low32.3Very low113 Ų113146 Ų14669%0.69378%0.777SS**  52.9126.1122.757.60000122.7
849T29.4Very low33.2Very low143 Ų143140.7 Ų140.788%0.87776%0.758SS**  -164.6167.7108.318.70000110.9
850N36Very low34.1Very low171 Ų171137.6 Ų137.691%0.91475%0.746SS**  trans-90.6140.6-162.9-58.6-28.2000114.6
851G30.2Very low35.2Very low69 Ų69129.8 Ų129.871%0.71173%0.727SS**  trans178.9123.4166.800000113.9
852K44Very low36.9Very low217 Ų217120.6 Ų120.694%0.94370%0.7SS**  trans-33.9128.8-179.5-67.1175.8171.6-178.80115.4
853A29.1Very low38.6Very low61 Ų61116.3 Ų116.350%0.50469%0.685SS.*  trans-147.13.1174.800000117.1S855A853-S855 PolarHBondContact O-N 3.44Å
854D34Very low40.7Very low143 Ų143113.7 Ų113.777%0.76567%0.67SS**THydrogen-bonded Turntrans-76.8-14.7-164.4-56-64.8000116.2
855S38.6Very low42.1Very low104 Ų104114.2 Ų114.273%0.72766%0.662SS**THydrogen-bonded Turntrans-85.1-4.6-17759.30000115.4A853A853-S855 PolarHBondContact O-N 3.44Å
856L39.1Very low44.4Very low128 Ų128115.1 Ų115.167%0.6765%0.651SS**THydrogen-bonded Turntrans-106.7-14.2-175-85.6164.2000114.9
857N40.4Very low46.4Very low109 Ų109115 Ų11558%0.58364%0.641SS**Hα-helixtrans-83.4-36.4179.7-75.3-28.9000112.6R860 S861N857-R860 PolarHBondContact O-N 3.36Å; N857-S861 PolarHBondContact O-N 3.23Å; N857-S861 PolarHBondContact O-OG 3.25Å
858V44.5Very low48.7Very low104 Ų104110.2 Ų110.263%0.6362%0.62SS**Hα-helixtrans-64.5-45.9-175.7-177.10000112R860 S861 S862V858-R860 VanDerWaalsContact C-N 3.29Å; V858-R860 PolarHBondContact O-N 3.35Å; V858-S861 WeakPolarHBondContact CA-OG 3.49Å; V858-S861 PolarHBondContact O-N 3.39Å; V858-S861 PolarHBondContact O-OG 2.89Å; V858-S862 PolarHBondContact O-N 2.91Å; V858-S862 VanDerWaalsContact O-N 3.14Å
859T44.5Very low51.2Low80 Ų80109.1 Ų109.149%0.49161%0.606SS.*Hα-helixtrans-66.5-30.4175.847.80000112.5S862 V863T859-S862 PolarHBondContact O-OG 3.06Å; T859-S862 VanDerWaalsContact O-OG 3.14Å; T859-V863 WeakPolarHBondContact O-CG2 3.46Å; T859-V863 PolarHBondContact O-N 3.26Å
860R45.8Very low53.5Low180 Ų180106.7 Ų106.768%0.67959%0.588SS**Hα-helixtrans-71.7-35.1174.7-164174-173.21733.3112N857 V858 I864N857-R860 PolarHBondContact O-N 3.36Å; V858-R860 VanDerWaalsContact C-N 3.29Å; V858-R860 PolarHBondContact O-N 3.35Å; R860-I864 HydrophobicContact CG-CD1 4.17Å; R860-I864 WeakPolarHBondContact O-CD1 3.42Å; R860-I864 VanDerWaalsContact O-CG1 3.24Å; R860-I864 WeakPolarHBondContact O-CG1 3.19Å; R860-I864 PolarHBondContact O-N 3.4Å
861S50Low55.8Low66 Ų66105 Ų10546%0.46258%0.575SS.*Hα-helixtrans-68.7-40173.638.30000113.4N857 V858 I864 Q865N857-S861 PolarHBondContact O-N 3.23Å; N857-S861 PolarHBondContact O-OG 3.25Å; V858-S861 WeakPolarHBondContact CA-OG 3.49Å; V858-S861 PolarHBondContact O-N 3.39Å; V858-S861 PolarHBondContact O-OG 2.89Å; S861-I864 PolarHBondContact O-N 2.99Å; S861-Q865 WeakPolarHBondContact O-CB 3.15Å; S861-Q865 PolarHBondContact O-N 2.86Å
862S61.7Low58.5Low50 Ų50106.9 Ų106.935%0.3556%0.563SS.*Hα-helixtrans-64.9-46.3179.4660000111.8V858 T859 I864 Q865 E866V858-S862 PolarHBondContact O-N 2.91Å; V858-S862 VanDerWaalsContact O-N 3.14Å; T859-S862 PolarHBondContact O-OG 3.06Å; T859-S862 VanDerWaalsContact O-OG 3.14Å; S862-I864 VanDerWaalsContact C-N 3.32Å; S862-I864 PolarHBondContact O-N 2.9Å; S862-Q865 WeakPolarHBondContact O-CA 3.43Å; S862-Q865 WeakPolarHBondContact O-CB 3.49Å; S862-Q865 PolarHBondContact O-N 2.86Å; S862-E866 WeakPolarHBondContact O-CG 3.4Å; S862-E866 PolarHBondContact O-N 3.05Å
863V63.9Low60.2Low73 Ų73101.8 Ų101.844%0.44254%0.543SS..Hα-helixtrans-63.1-36.2178.2174.40000112.1T859 Q865 L867T859-V863 WeakPolarHBondContact O-CG2 3.46Å; T859-V863 PolarHBondContact O-N 3.26Å; V863-Q865 VanDerWaalsContact C-N 3.33Å; V863-L867 HydrophobicContact CG1-CD1 4.04Å; V863-L867 HydrophobicContact CG1-CG 4.48Å; V863-L867 WeakPolarHBondContact O-CB 3.34Å; V863-L867 WeakPolarHBondContact O-CD1 3.46Å; V863-L867 VanDerWaalsContact O-CG 3.22Å; V863-L867 WeakPolarHBondContact O-CG 3.46Å; V863-L867 PolarHBondContact O-N 3.17Å
864I70.8Confident62.9Low105 Ų105104.1 Ų104.154%0.53855%0.545SS..Hα-helixtrans-65.8-38.1173.6-71.9168.7000111.1R860 S861 S862 S868R860-I864 HydrophobicContact CG-CD1 4.17Å; R860-I864 WeakPolarHBondContact O-CD1 3.42Å; R860-I864 VanDerWaalsContact O-CG1 3.24Å; R860-I864 WeakPolarHBondContact O-CG1 3.19Å; R860-I864 PolarHBondContact O-N 3.4Å; S861-I864 PolarHBondContact O-N 2.99Å; S862-I864 VanDerWaalsContact C-N 3.32Å; S862-I864 PolarHBondContact O-N 2.9Å; I864-S868 PolarHBondContact O-N 2.82Å
865Q68.7Low65.2Low134 Ų134103.4 Ų103.463%0.62654%0.537SS*.Hα-helixtrans-70.2-43.9178.1-169.3167.5-16.300111.8S861 S862 V863 S868 E869S861-Q865 WeakPolarHBondContact O-CB 3.15Å; S861-Q865 PolarHBondContact O-N 2.86Å; S862-Q865 WeakPolarHBondContact O-CA 3.43Å; S862-Q865 WeakPolarHBondContact O-CB 3.49Å; S862-Q865 PolarHBondContact O-N 2.86Å; V863-Q865 VanDerWaalsContact C-N 3.33Å; Q865-S868 PolarHBondContact O-N 3.4Å; Q865-S868 VanDerWaalsContact O-N 3.16Å; Q865-S868 PolarHBondContact O-OG 2.75Å; Q865-E869 PolarHBondContact O-N 2.84Å
866E74.6Confident67.7Low113 Ų113102.2 Ų102.253%0.52853%0.525SS..Hα-helixtrans-57.8-46.5173.2-72.3161.4-162.200111.9S862 S868 E869 L870S862-E866 WeakPolarHBondContact O-CG 3.4Å; S862-E866 PolarHBondContact O-N 3.05Å; E866-S868 VanDerWaalsContact C-N 3.32Å; E866-S868 PolarHBondContact O-N 3.39Å; E866-E869 PolarHBondContact O-N 3.3Å; E866-L870 PolarHBondContact O-N 3Å
867L70.7Confident69.9Low106 Ų106100.8 Ų100.856%0.55552%0.518SS*.Hα-helixtrans-60.7-39.8174.8-74.5168.6000112.1V863 E869 L870 E871V863-L867 HydrophobicContact CG1-CD1 4.04Å; V863-L867 HydrophobicContact CG1-CG 4.48Å; V863-L867 WeakPolarHBondContact O-CB 3.34Å; V863-L867 WeakPolarHBondContact O-CD1 3.46Å; V863-L867 VanDerWaalsContact O-CG 3.22Å; V863-L867 WeakPolarHBondContact O-CG 3.46Å; V863-L867 PolarHBondContact O-N 3.17Å; L867-E869 VanDerWaalsContact C-N 3.3Å; L867-E869 PolarHBondContact O-N 3.05Å; L867-L870 PolarHBondContact O-N 2.99Å; L867-E871 WeakPolarHBondContact O-CB 3.21Å; L867-E871 PolarHBondContact O-N 2.86Å
868S76.7Confident72Confident46 Ų46104 Ų10432%0.32252%0.521SS..Hα-helixtrans-69.6-25.9177.578.10000113.6I864 Q865 E866 K872I864-S868 PolarHBondContact O-N 2.82Å; Q865-S868 PolarHBondContact O-N 3.4Å; Q865-S868 VanDerWaalsContact O-N 3.16Å; Q865-S868 PolarHBondContact O-OG 2.75Å; E866-S868 VanDerWaalsContact C-N 3.32Å; E866-S868 PolarHBondContact O-N 3.39Å; S868-K872 WeakPolarHBondContact O-CG 3.05Å; S868-K872 PolarHBondContact O-N 3.46Å
869E82.6Confident74.1Confident89 Ų89104.8 Ų104.842%0.41652%0.518SS..Hα-helixtrans-79.7-39.8175.5-146.462.7-145.100111.1Q865 E866 L867 K872 Q873Q865-E869 PolarHBondContact O-N 2.84Å; E866-E869 PolarHBondContact O-N 3.3Å; L867-E869 VanDerWaalsContact C-N 3.3Å; L867-E869 PolarHBondContact O-N 3.05Å; E869-K872 VanDerWaalsContact CD-NZ 3.28Å; E869-K872 PolarHBondContact O-N 3.49Å; E869-K872 IonicContact OE1-NZ 3.55Å; E869-K872 PolarHBondContact OE1-NZ 2.95Å; E869-K872 IonicContact OE2-NZ 3.96Å; E869-K872 PolarHBondContact OE2-NZ 3.12Å; E869-Q873 WeakPolarHBondContact O-CG 3.33Å; E869-Q873 PolarHBondContact O-N 2.83Å
870L78.3Confident76.3Confident92 Ų92107 Ų10748%0.48252%0.523SS..Hα-helixtrans-60.4-42.4170.5-83.2162.6000112.2E866 L867 K872 Q873 I874E866-L870 PolarHBondContact O-N 3Å; L867-L870 PolarHBondContact O-N 2.99Å; L870-K872 VanDerWaalsContact C-N 3.34Å; L870-K872 PolarHBondContact O-N 3.25Å; L870-Q873 PolarHBondContact O-N 3.15Å; L870-I874 VanDerWaalsContact O-CG1 3.3Å; L870-I874 WeakPolarHBondContact O-CG1 3.42Å; L870-I874 PolarHBondContact O-N 3.32Å
871E83.9Confident78.2Confident137 Ų137103.8 Ų103.864%0.6452%0.519SS*.Hα-helixtrans-62.4-40.2178.1-169.9167.9-153.200111.7L867 Q875L867-E871 WeakPolarHBondContact O-CB 3.21Å; L867-E871 PolarHBondContact O-N 2.86Å; E871-Q875 WeakPolarHBondContact O-CB 3.33Å; E871-Q875 PolarHBondContact O-N 3.5Å
872K86.1Confident79.9Confident107 Ų107106.5 Ų106.547%0.46552%0.524SS..Hα-helixtrans-61.7-47.3170.8-66.6166.8-166164.40112.2S868 E869 L870 I874 Q875 V876S868-K872 WeakPolarHBondContact O-CG 3.05Å; S868-K872 PolarHBondContact O-N 3.46Å; E869-K872 VanDerWaalsContact CD-NZ 3.28Å; E869-K872 PolarHBondContact O-N 3.49Å; E869-K872 IonicContact OE1-NZ 3.55Å; E869-K872 PolarHBondContact OE1-NZ 2.95Å; E869-K872 IonicContact OE2-NZ 3.96Å; E869-K872 PolarHBondContact OE2-NZ 3.12Å; L870-K872 VanDerWaalsContact C-N 3.34Å; L870-K872 PolarHBondContact O-N 3.25Å; K872-I874 VanDerWaalsContact C-N 3.35Å; K872-I874 PolarHBondContact O-N 3.26Å; K872-Q875 WeakPolarHBondContact O-CB 3.35Å; K872-Q875 PolarHBondContact O-N 3.3Å; K872-Q875 VanDerWaalsContact O-N 3.09Å; K872-V876 WeakPolarHBondContact O-CG2 3.28Å; K872-V876 PolarHBondContact O-N 3.24Å
873Q80.5Confident81.3Confident111 Ų111109.4 Ų109.452%0.51954%0.535SS..Hα-helixtrans-60.8-44.3-179.4-74.4-177.5-5.800111.4E869 L870 Q875 V876 I877E869-Q873 WeakPolarHBondContact O-CG 3.33Å; E869-Q873 PolarHBondContact O-N 2.83Å; L870-Q873 PolarHBondContact O-N 3.15Å; Q873-Q875 VanDerWaalsContact C-N 3.27Å; Q873-Q875 PolarHBondContact O-N 2.85Å; Q873-V876 PolarHBondContact O-N 3.49Å; Q873-I877 VanDerWaalsContact O-CG1 3.32Å; Q873-I877 WeakPolarHBondContact O-CG1 3.29Å; Q873-I877 PolarHBondContact O-N 3.32Å
874I85.1Confident82.4Confident110 Ų110108.9 Ų108.956%0.56454%0.539SS*.Hα-helixtrans-59.6-39.5173.7-68.6165.2000110.9L870 K872 R878L870-I874 VanDerWaalsContact O-CG1 3.3Å; L870-I874 WeakPolarHBondContact O-CG1 3.42Å; L870-I874 PolarHBondContact O-N 3.32Å; K872-I874 VanDerWaalsContact C-N 3.35Å; K872-I874 PolarHBondContact O-N 3.26Å; I874-R878 VanDerWaalsContact O-CB 3.25Å; I874-R878 WeakPolarHBondContact O-CB 3.4Å; I874-R878 PolarHBondContact O-N 2.9Å
875Q82.6Confident83.1Confident128 Ų128107.9 Ų107.960%0.59854%0.537SS*.Hα-helixtrans-69.9-36178.5-170.1165.9-10.700113.1E871 K872 Q873 R878 Q879E871-Q875 WeakPolarHBondContact O-CB 3.33Å; E871-Q875 PolarHBondContact O-N 3.5Å; K872-Q875 WeakPolarHBondContact O-CB 3.35Å; K872-Q875 PolarHBondContact O-N 3.3Å; K872-Q875 VanDerWaalsContact O-N 3.09Å; Q873-Q875 VanDerWaalsContact C-N 3.27Å; Q873-Q875 PolarHBondContact O-N 2.85Å; Q875-R878 PolarHBondContact O-N 3.27Å; Q875-Q879 PolarHBondContact O-N 3.49Å; Q875-Q879 VanDerWaalsContact O-N 3.16Å
876V91Very high83.9Confident78 Ų78103.6 Ų103.647%0.47352%0.522SS..Hα-helixtrans-65.7-52.1172.61720000110.8K872 Q873 R878 Q879 E880K872-V876 WeakPolarHBondContact O-CG2 3.28Å; K872-V876 PolarHBondContact O-N 3.24Å; Q873-V876 PolarHBondContact O-N 3.49Å; V876-R878 PolarHBondContact O-N 2.84Å; V876-Q879 WeakPolarHBondContact O-CA 3.49Å; V876-Q879 WeakPolarHBondContact O-CB 3.35Å; V876-Q879 PolarHBondContact O-N 2.94Å; V876-E880 PolarHBondContact O-N 3.41Å
877I85.5Confident84.6Confident99 Ų99106.8 Ų106.851%0.50853%0.529SS..Hα-helixtrans-56.5-37.3177.7-67.2164.9000110.6Q873 E880 L881Q873-I877 VanDerWaalsContact O-CG1 3.32Å; Q873-I877 WeakPolarHBondContact O-CG1 3.29Å; Q873-I877 PolarHBondContact O-N 3.32Å; I877-E880 PolarHBondContact O-N 3.3Å; I877-L881 VanDerWaalsContact O-CB 3.31Å; I877-L881 WeakPolarHBondContact O-CB 3.45Å; I877-L881 PolarHBondContact O-N 3.01Å
878R84.1Confident85.4Confident175 Ų175107.5 Ų107.566%0.6653%0.528SS*.Hα-helixtrans-66.4-34.7175.9-170.5174.8-174.3171.62.9113.2I874 Q875 V876 Q882I874-R878 VanDerWaalsContact O-CB 3.25Å; I874-R878 WeakPolarHBondContact O-CB 3.4Å; I874-R878 PolarHBondContact O-N 2.9Å; Q875-R878 PolarHBondContact O-N 3.27Å; V876-R878 PolarHBondContact O-N 2.84Å; R878-Q882 VanDerWaalsContact O-CG 3.3Å; R878-Q882 WeakPolarHBondContact O-CG 3.31Å; R878-Q882 PolarHBondContact O-N 2.73Å; R878-Q882 VanDerWaalsContact O-N 3.12Å
879Q88.4Confident85.8Confident121 Ų121108.9 Ų108.957%0.56554%0.535SS*.Hα-helixtrans-70.8-43172.9-74.6-171.2-80.100111.9Q875 V876 L881 Q882 L883Q875-Q879 PolarHBondContact O-N 3.49Å; Q875-Q879 VanDerWaalsContact O-N 3.16Å; V876-Q879 WeakPolarHBondContact O-CA 3.49Å; V876-Q879 WeakPolarHBondContact O-CB 3.35Å; V876-Q879 PolarHBondContact O-N 2.94Å; Q879-L881 VanDerWaalsContact C-N 3.33Å; Q879-L881 PolarHBondContact O-N 3.42Å; Q879-Q882 PolarHBondContact O-N 2.96Å; Q879-L883 PolarHBondContact O-N 3.41Å
880E90.6Very high86.1Confident127 Ų127110.3 Ų110.359%0.59354%0.541SS*.Hα-helixtrans-60.9-42.7176-67.3-172.8146.500111.6V876 I877 Q882 L883 A884V876-E880 PolarHBondContact O-N 3.41Å; I877-E880 PolarHBondContact O-N 3.3Å; E880-Q882 VanDerWaalsContact C-N 3.33Å; E880-Q882 PolarHBondContact O-N 3.11Å; E880-L883 PolarHBondContact O-N 2.8Å; E880-A884 WeakPolarHBondContact O-CB 3.46Å; E880-A884 PolarHBondContact O-N 2.88Å
881L86.6Confident86.4Confident113 Ų113111.1 Ų111.159%0.59255%0.546SS*.Hα-helixtrans-68.7-31.6178.3-161.3142.3000112.2I877 Q879 V885I877-L881 VanDerWaalsContact O-CB 3.31Å; I877-L881 WeakPolarHBondContact O-CB 3.45Å; I877-L881 PolarHBondContact O-N 3.01Å; Q879-L881 VanDerWaalsContact C-N 3.33Å; Q879-L881 PolarHBondContact O-N 3.42Å; L881-V885 HydrophobicContact CD2-CG2 4.4Å; L881-V885 VanDerWaalsContact O-CG2 3.31Å; L881-V885 WeakPolarHBondContact O-CG2 3.27Å; L881-V885 PolarHBondContact O-N 2.82Å
882Q85.7Confident86.4Confident122 Ų122109.1 Ų109.157%0.5754%0.536SS*.Hα-helixtrans-67.1-40.6170-77.7178.6-38.500112.5R878 Q879 E880 V885 S886R878-Q882 VanDerWaalsContact O-CG 3.3Å; R878-Q882 WeakPolarHBondContact O-CG 3.31Å; R878-Q882 PolarHBondContact O-N 2.73Å; R878-Q882 VanDerWaalsContact O-N 3.12Å; Q879-Q882 PolarHBondContact O-N 2.96Å; E880-Q882 VanDerWaalsContact C-N 3.33Å; E880-Q882 PolarHBondContact O-N 3.11Å; Q882-V885 PolarHBondContact O-N 3.46Å; Q882-S886 PolarHBondContact O-N 3.45Å
883L91.6Very high86.2Confident112 Ų112110.5 Ų110.559%0.58654%0.544SS*.Hα-helixtrans-67.5-34.6174.3-77.2164.2000112.8Q879 E880 S886 R887Q879-L883 PolarHBondContact O-N 3.41Å; E880-L883 PolarHBondContact O-N 2.8Å; L883-S886 PolarHBondContact O-OG 3.19Å; L883-S886 VanDerWaalsContact O-OG 3.08Å; L883-R887 PolarHBondContact O-N 2.93Å; L883-R887 VanDerWaalsContact O-N 3.1Å
884A85.7Confident86.2Confident62 Ų62112.1 Ų112.151%0.51255%0.547SS..Hα-helixtrans-66.4-41.1173.300000111.5E880 K888E880-A884 WeakPolarHBondContact O-CB 3.46Å; E880-A884 PolarHBondContact O-N 2.88Å; A884-K888 WeakPolarHBondContact O-CB 3.26Å; A884-K888 PolarHBondContact O-N 2.73Å
885V86.8Confident85.6Confident83 Ų83112.7 Ų112.750%0.50355%0.547SS..Hα-helixtrans-66-41.8175.1169.60000111.7L881 Q882 K888 T889L881-V885 HydrophobicContact CD2-CG2 4.4Å; L881-V885 VanDerWaalsContact O-CG2 3.31Å; L881-V885 WeakPolarHBondContact O-CG2 3.27Å; L881-V885 PolarHBondContact O-N 2.82Å; Q882-V885 PolarHBondContact O-N 3.46Å; V885-K888 WeakPolarHBondContact O-CB 3.47Å; V885-K888 PolarHBondContact O-N 3.37Å; V885-T889 PolarHBondContact O-N 3.25Å; V885-T889 PolarHBondContact O-OG1 2.96Å
886S85.4Confident85.1Confident44 Ų44114 Ų11431%0.30855%0.551SS.*Hα-helixtrans-64.7-43.9178.270.40000112.1Q882 L883 K888 T889 E890Q882-S886 PolarHBondContact O-N 3.45Å; L883-S886 PolarHBondContact O-OG 3.19Å; L883-S886 VanDerWaalsContact O-OG 3.08Å; S886-K888 VanDerWaalsContact C-N 3.29Å; S886-K888 PolarHBondContact O-N 2.86Å; S886-T889 WeakPolarHBondContact CA-OG1 3.41Å; S886-T889 PolarHBondContact O-N 3.17Å; S886-T889 VanDerWaalsContact O-N 3.17Å; S886-T889 PolarHBondContact O-OG1 2.84Å; S886-E890 WeakPolarHBondContact O-CG 3.31Å; S886-E890 PolarHBondContact O-N 3.35Å
887R87.8Confident84.3Confident180 Ų180113.7 Ų113.768%0.67955%0.549SS*.Hα-helixtrans-59.2-37.7172.2-81.1-177.4170.8172.7-1.1112.8L883 E890 L891L883-R887 PolarHBondContact O-N 2.93Å; L883-R887 VanDerWaalsContact O-N 3.1Å; R887-E890 PolarHBondContact O-N 3.45Å; R887-L891 WeakPolarHBondContact O-CB 3.49Å; R887-L891 VanDerWaalsContact O-CG 3.3Å; R887-L891 WeakPolarHBondContact O-CG 3.35Å; R887-L891 PolarHBondContact O-N 3.19Å
888K88.6Confident83.2Confident121 Ų121112.4 Ų112.453%0.52654%0.543SS..Hα-helixtrans-63.7-43175.6-173.9173-178.6-700111.4A884 V885 S886 L891 E892A884-K888 WeakPolarHBondContact O-CB 3.26Å; A884-K888 PolarHBondContact O-N 2.73Å; V885-K888 WeakPolarHBondContact O-CB 3.47Å; V885-K888 PolarHBondContact O-N 3.37Å; S886-K888 VanDerWaalsContact C-N 3.29Å; S886-K888 PolarHBondContact O-N 2.86Å; K888-L891 PolarHBondContact O-N 2.84Å; K888-E892 IonicContact NZ-OE1 2.68Å; K888-E892 PolarHBondContact NZ-OE1 2.97Å; K888-E892 IonicContact NZ-OE2 2.83Å; K888-E892 WeakPolarHBondContact O-CB 3.41Å; K888-E892 WeakPolarHBondContact O-CG 3.39Å; K888-E892 PolarHBondContact O-N 3.07Å
889T85.4Confident82Confident76 Ų76113.1 Ų113.147%0.46655%0.546SS..Hα-helixtrans-67-37.9175.744.80000113V885 S886 E892 E893V885-T889 PolarHBondContact O-N 3.25Å; V885-T889 PolarHBondContact O-OG1 2.96Å; S886-T889 WeakPolarHBondContact CA-OG1 3.41Å; S886-T889 PolarHBondContact O-N 3.17Å; S886-T889 VanDerWaalsContact O-N 3.17Å; S886-T889 PolarHBondContact O-OG1 2.84Å; T889-E892 PolarHBondContact O-N 3.32Å; T889-E893 WeakPolarHBondContact O-CB 3.27Å; T889-E893 PolarHBondContact O-N 3.42Å
890E88.2Confident80.5Confident118 Ų118111.8 Ų111.855%0.55155%0.546SS*.Hα-helixtrans-61.4-43.1173.8-71.2166.317400111.6S886 R887 E893 Y894S886-E890 WeakPolarHBondContact O-CG 3.31Å; S886-E890 PolarHBondContact O-N 3.35Å; R887-E890 PolarHBondContact O-N 3.45Å; E890-E893 PolarHBondContact O-N 3.16Å; E890-Y894 WeakPolarHBondContact O-CB 3.35Å; E890-Y894 PolarHBondContact O-N 3.2Å
891L84.4Confident78.5Confident110 Ų110110.9 Ų110.958%0.57655%0.552SS**Hα-helixtrans-68.4-38.4177.1-72.1168.4000112.7R887 K888 Y894 Q895R887-L891 WeakPolarHBondContact O-CB 3.49Å; R887-L891 VanDerWaalsContact O-CG 3.3Å; R887-L891 WeakPolarHBondContact O-CG 3.35Å; R887-L891 PolarHBondContact O-N 3.19Å; K888-L891 PolarHBondContact O-N 2.84Å; L891-Y894 PolarHBondContact O-N 3.46Å; L891-Q895 WeakPolarHBondContact O-CG 3.16Å; L891-Q895 PolarHBondContact O-N 2.96Å
892E84.2Confident76.7Confident94 Ų94114 Ų11444%0.43956%0.564SS.*Hα-helixtrans-66.3-38.8174.6-76.5174.6175.800111.9K888 T889 K896K888-E892 IonicContact NZ-OE1 2.68Å; K888-E892 PolarHBondContact NZ-OE1 2.97Å; K888-E892 IonicContact NZ-OE2 2.83Å; K888-E892 WeakPolarHBondContact O-CB 3.41Å; K888-E892 WeakPolarHBondContact O-CG 3.39Å; K888-E892 PolarHBondContact O-N 3.07Å; T889-E892 PolarHBondContact O-N 3.32Å; E892-K896 VanDerWaalsContact O-CB 3.31Å; E892-K896 WeakPolarHBondContact O-CB 3.36Å; E892-K896 PolarHBondContact O-N 3.27Å; E892-K896 VanDerWaalsContact O-N 3.07Å
893E82.8Confident74.6Confident137 Ų137115.1 Ų115.164%0.6459%0.585SS**Hα-helixtrans-69.7-39.9175.5-168.4155.6-124.500111.8T889 E890 K896 T897T889-E893 WeakPolarHBondContact O-CB 3.27Å; T889-E893 PolarHBondContact O-N 3.42Å; E890-E893 PolarHBondContact O-N 3.16Å; E893-K896 WeakPolarHBondContact O-CB 3.06Å; E893-K896 PolarHBondContact O-N 3.12Å; E893-K896 VanDerWaalsContact O-N 3.14Å; E893-T897 PolarHBondContact O-N 3.15Å; E893-T897 PolarHBondContact O-OG1 3.21Å
894Y78.8Confident73.7Confident145 Ų145115.3 Ų115.357%0.56959%0.585SS**Hα-helixtrans-64-40.8173.7-175.3-100.3000113.3E890 L891 K896 T897 N898E890-Y894 WeakPolarHBondContact O-CB 3.35Å; E890-Y894 PolarHBondContact O-N 3.2Å; L891-Y894 PolarHBondContact O-N 3.46Å; Y894-K896 VanDerWaalsContact C-N 3.26Å; Y894-K896 PolarHBondContact O-N 2.67Å; Y894-T897 PolarHBondContact O-OG1 3.47Å; Y894-T897 VanDerWaalsContact O-OG1 3.12Å; Y894-N898 VanDerWaalsContact CE1-ND2 3.3Å; Y894-N898 WeakPolarHBondContact CE1-ND2 3.43Å; Y894-N898 PolarHBondContact O-N 3.12Å; Y894-N898 VanDerWaalsContact O-N 3.17Å; Y894-N898 PolarHBondContact OH-ND2 3.12Å
895Q72.6Confident73.1Confident122 Ų122118.1 Ų118.157%0.5759%0.589SS**Hα-helixtrans-64.8-32.3172.1-76.5-173.41.700112.3L891 R899L891-Q895 WeakPolarHBondContact O-CG 3.16Å; L891-Q895 PolarHBondContact O-N 2.96Å; Q895-R899 WeakPolarHBondContact O-CB 3.22Å; Q895-R899 WeakPolarHBondContact O-CG 3.42Å; Q895-R899 PolarHBondContact O-N 3.39Å
896K73.3Confident72.3Confident156 Ų156120 Ų12068%0.67859%0.593SS**Hα-helixtrans-74.4-39.8-179.6-164.9177.2-175.2-177.80112.2E892 E893 Y894 T900E892-K896 VanDerWaalsContact O-CB 3.31Å; E892-K896 WeakPolarHBondContact O-CB 3.36Å; E892-K896 PolarHBondContact O-N 3.27Å; E892-K896 VanDerWaalsContact O-N 3.07Å; E893-K896 WeakPolarHBondContact O-CB 3.06Å; E893-K896 PolarHBondContact O-N 3.12Å; E893-K896 VanDerWaalsContact O-N 3.14Å; Y894-K896 VanDerWaalsContact C-N 3.26Å; Y894-K896 PolarHBondContact O-N 2.67Å; K896-T900 PolarHBondContact O-N 2.89Å; K896-T900 PolarHBondContact O-OG1 3.25Å
897T73.3Confident71.5Confident71 Ų71124.5 Ų124.544%0.43661%0.61SS.*Hα-helixtrans-69.6-43.7176.151.90000112.2E893 Y894 R899 T900 C901E893-T897 PolarHBondContact O-N 3.15Å; E893-T897 PolarHBondContact O-OG1 3.21Å; Y894-T897 PolarHBondContact O-OG1 3.47Å; Y894-T897 VanDerWaalsContact O-OG1 3.12Å; T897-R899 VanDerWaalsContact C-N 3.33Å; T897-R899 PolarHBondContact O-N 3.25Å; T897-T900 WeakPolarHBondContact CA-OG1 3.49Å; T897-T900 PolarHBondContact O-N 2.82Å; T897-T900 PolarHBondContact O-OG1 2.69Å; T897-C901 PolarHBondContact O-N 2.75Å
898N63.5Low70.5Confident71 Ų71121 Ų12138%0.3861%0.606SS.*Hα-helixtrans-59.6-42174.9-78.8-6.6000111.9Y894 T900 C901 E902Y894-N898 VanDerWaalsContact CE1-ND2 3.3Å; Y894-N898 WeakPolarHBondContact CE1-ND2 3.43Å; Y894-N898 PolarHBondContact O-N 3.12Å; Y894-N898 VanDerWaalsContact O-N 3.17Å; Y894-N898 PolarHBondContact OH-ND2 3.12Å; N898-T900 PolarHBondContact O-N 3.16Å; N898-C901 PolarHBondContact O-N 3.48Å; N898-E902 PolarHBondContact O-N 3.33Å
899R58.8Low69.3Low191 Ų191121 Ų12172%0.72161%0.611SS**Hα-helixtrans-63.2-18.6175.4-82.4-179.1170.4176.1-0.6114.9Q895 T897Q895-R899 WeakPolarHBondContact O-CB 3.22Å; Q895-R899 WeakPolarHBondContact O-CG 3.42Å; Q895-R899 PolarHBondContact O-N 3.39Å; T897-R899 VanDerWaalsContact C-N 3.33Å; T897-R899 PolarHBondContact O-N 3.25Å
900T56.4Low68.2Low93 Ų93124.2 Ų124.257%0.57162%0.622SS**THydrogen-bonded Turntrans-93.82.2172.449.60000114K896 T897 N898K896-T900 PolarHBondContact O-N 2.89Å; K896-T900 PolarHBondContact O-OG1 3.25Å; T897-T900 WeakPolarHBondContact CA-OG1 3.49Å; T897-T900 PolarHBondContact O-N 2.82Å; T897-T900 PolarHBondContact O-OG1 2.69Å; N898-T900 PolarHBondContact O-N 3.16Å
901C49.4Very low66.6Low107 Ų107124.7 Ų124.772%0.72363%0.627SS**THydrogen-bonded Turntrans-105-10.7172.4-68.20000113.3T897 N898T897-C901 PolarHBondContact O-N 2.75Å; N898-C901 PolarHBondContact O-N 3.48Å
902E47.4Very low65.1Low180 Ų180125.9 Ų125.984%0.84163%0.631SS**  trans-10215.3175.7-61.9-174.5136.600112.8N898N898-E902 PolarHBondContact O-N 3.33Å
903S41.1Very low63.4Low144 Ų144128.8 Ų128.8100%1.00765%0.649SS**  trans-132.30-178.268.70000112.7

Retrieved 903 of 903 residues in 548.5 ms (Link to these results)

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