A0A024R3Y6_HUMAN Loading...

Isocitrate dehydrogenase [NADP]

AlphaFold DB (O75874), UniProt , Accession A0A024R3Y6, Species HUMAN (Homo sapiens, Human), Gene HEL-S-26, Length 414 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
1M53.6Low89.7Confident241 Ų24168.2 Ų68.2100%1.18737%0.368SS*.  0138.30-69.6179.4-17000107.2
2S69.3Low90.4Very high87 Ų8762.6 Ų62.661%0.60834%0.337SS*.PPolyproline II helixtrans-59.8149.5167.4440000109.3K4S2-K4 PolarHBondContact O-N 3.5Å
3K86Confident91.1Very high194 Ų19457.8 Ų57.884%0.84331%0.311SS*.PPolyproline II helixtrans-64.9129.5174.5-177.8-175.9172.9-172.80108.1
4K94.9Very high91.5Very high91 Ų9156.2 Ų56.240%0.39630%0.301SS..PPolyproline II helixtrans-68.3149.9174.4-64.4-174.9-175.2-177.40110.6S2 S6 F32 Y34 E36S2-K4 PolarHBondContact O-N 3.5Å; K4-S6 PolarHBondContact O-N 3.04Å; K4-F32 WeakPolarHBondContact CD-O 3.35Å; K4-F32 WeakPolarHBondContact CE-O 3.38Å; K4-F32 PolarHBondContact NZ-O 3.16Å; K4-Y34 CarbonylContact C-O 3.6Å; K4-Y34 WeakPolarHBondContact CA-O 3.28Å; K4-E36 HydrophobicContact CB-CB 4.23Å; K4-E36 HydrophobicContact CD-CB 4.47Å
5I96.4Very high91.9Very high6 Ų652.5 Ų52.53%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-65.9127.2172-53.6168.8000107.8G7 Y34 V35 E36 E351 L352 F355 L414I5-G7 PolarHBondContact O-N 3.15Å; I5-Y34 PolarHBondContact N-O 3.32Å; I5-V35 HydrophobicContact CB-CG2 4.38Å; I5-V35 HydrophobicContact CD1-CG2 4.29Å; I5-V35 CarbonylContact O-C 3.55Å; I5-V35 WeakPolarHBondContact O-CA 3.41Å; I5-E36 PolarHBondContact O-N 3.36Å; I5-E351 HydrophobicContact CG1-CB 4.36Å; I5-E351 HydrophobicContact CG2-CB 3.91Å; I5-L352 HydrophobicContact CG2-CB 4.05Å; I5-L352 HydrophobicContact CG2-CD1 4.36Å; I5-F355 HydrophobicContact CD1-CB 3.56Å; I5-F355 HydrophobicContact CD1-CD2 4.28Å; I5-F355 HydrophobicContact CD1-CG 4.01Å; I5-L414 HydrophobicContact CD1-CD2 3.32Å; I5-L414 HydrophobicContact CG1-CD2 3.8Å
6S96.8Very high92.2Very high82 Ų8249.9 Ų49.957%0.57327%0.268SS*.EExtended strand (participates in β ladder)trans-73.9116.1170.3-174.30000108.7K4 N349K4-S6 PolarHBondContact O-N 3.04Å; S6-N349 PolarHBondContact O-ND2 2.57Å
7G96.7Very high92.5Very high0 Ų047.6 Ų47.60%026%0.255CS..EExtended strand (participates in β ladder)trans-101.9-2.3-170.200000115.6I5 E36 R343I5-G7 PolarHBondContact O-N 3.15Å; G7-E36 PolarHBondContact N-O 3.03Å; G7-R343 WeakPolarHBondContact O-CG 3.46Å
8G97.2Very high92.8Very high19 Ų1945 Ų4520%0.19624%0.241CC..EExtended strand (participates in β ladder)trans69.6-168.5178.300000114.7D38G8-D38 PolarHBondContact O-N 3.49Å
9S98.4Very high92.9Very high30 Ų3042.6 Ų42.621%0.2123%0.228CC..EExtended strand (participates in β ladder)trans-79.7130.6-173.8-51.60000113D38 H67 R343S9-D38 CarbonylContact C-O 3.58Å; S9-D38 VanDerWaalsContact CA-O 3.24Å; S9-D38 WeakPolarHBondContact CA-O 3.36Å; S9-D38 WeakPolarHBondContact CB-OD2 3.44Å; S9-D38 PolarHBondContact OG-OD2 3.33Å; S9-H67 WeakPolarHBondContact CB-ND1 3.2Å; S9-R343 PolarHBondContact O-NE 2.61Å; S9-R343 PolarHBondContact O-NH2 3.13Å
10V98.6Very high93.2Very high0 Ų044.5 Ų44.50%023%0.232CC..EExtended strand (participates in β ladder)trans-137.1134.1174.4175.20000109.1L37 D38 L39 H40 V69 V71 W336 L340 R343V10-L37 HydrophobicContact CG2-CD2 4.18Å; V10-D38 PolarHBondContact N-O 3.13Å; V10-L39 HydrophobicContact CB-CD1 4.05Å; V10-L39 HydrophobicContact CG1-CD1 4.21Å; V10-L39 WeakPolarHBondContact O-CA 3.4Å; V10-H40 PolarHBondContact O-N 3.31Å; V10-V69 HydrophobicContact CG1-CG1 4.23Å; V10-V69 HydrophobicContact CG2-CG1 4.13Å; V10-V71 HydrophobicContact CG1-CG1 4.15Å; V10-V71 HydrophobicContact CG1-CG2 3.65Å; V10-W336 HydrophobicContact CG1-CZ3 4.37Å; V10-L340 HydrophobicContact CG2-CD2 4.22Å; V10-R343 HydrophobicContact CG2-CG 4.47Å
11V98.7Very high93.4Very high0 Ų044.2 Ų44.20%023%0.23CC..EExtended strand (participates in β ladder)trans-87.5115.3171.1-179.30000108.5H40 Y42 A63 I64 H67 V69 G70 V71V11-H40 CarbonylContact C-O 3.48Å; V11-H40 WeakPolarHBondContact CA-O 3.25Å; V11-H40 HydrophobicContact CG2-CB 4.16Å; V11-Y42 HydrophobicContact CG1-CD2 3.7Å; V11-Y42 HydrophobicContact CG1-CE2 3.8Å; V11-A63 HydrophobicContact CG1-CB 4.13Å; V11-A63 HydrophobicContact CG2-CB 3.84Å; V11-I64 HydrophobicContact CB-CG1 3.85Å; V11-I64 HydrophobicContact CG1-CG1 3.83Å; V11-I64 HydrophobicContact CG2-CG1 4.26Å; V11-H67 HydrophobicContact CG2-CB 3.94Å; V11-V69 PolarHBondContact N-O 3.12Å; V11-G70 CarbonylContact O-C 3.58Å; V11-G70 WeakPolarHBondContact O-CA 3.5Å; V11-V71 PolarHBondContact O-N 2.87Å
12E98.5Very high95.4Very high1 Ų132.9 Ų32.91%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-95.7132.9174.4173.4-175.1-144.400109.7Q14 W23 K27 L39 H40 S41 Y42 V71 W336E12-Q14 HydrophobicContact CG-CG 4.35Å; E12-W23 VanDerWaalsContact OE1-CD1 3.24Å; E12-W23 PolarHBondContact OE1-NE1 3.38Å; E12-K27 VanDerWaalsContact OE1-CD 3.28Å; E12-K27 WeakPolarHBondContact OE1-CD 3.24Å; E12-K27 WeakPolarHBondContact OE1-CE 3.41Å; E12-K27 IonicContact OE1-NZ 3.74Å; E12-K27 PolarHBondContact OE1-NZ 3.37Å; E12-K27 IonicContact OE2-NZ 2.68Å; E12-K27 PolarHBondContact OE2-NZ 3.03Å; E12-L39 HydrophobicContact CB-CD1 3.9Å; E12-L39 HydrophobicContact CB-CD2 4.21Å; E12-L39 HydrophobicContact CB-CG 3.97Å; E12-L39 VanDerWaalsContact OE2-CD2 3.24Å; E12-L39 WeakPolarHBondContact OE2-CD2 3.49Å; E12-H40 PolarHBondContact N-O 3.12Å; E12-S41 CarbonylContact O-C 3.57Å; E12-S41 WeakPolarHBondContact O-CA 3.48Å; E12-S41 PolarHBondContact OE2-OG 3.43Å; E12-Y42 PolarHBondContact O-N 2.98Å; E12-V71 HydrophobicContact CB-CG2 4.34Å; E12-W336 HydrophobicContact CB-CH2 4.41Å; E12-W336 HydrophobicContact CG-CH2 4.39Å; E12-W336 HydrophobicContact CG-CZ2 4.25Å
13M98.5Very high96.8Very high0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-114.1107.1168.6-69.1160.9-77.400109.4Y42 L44 A60 I64 V71 K72 C73 I99 E304M13-Y42 CarbonylContact C-O 3.49Å; M13-Y42 WeakPolarHBondContact CA-O 3.43Å; M13-L44 HydrophobicContact CB-CD1 3.68Å; M13-L44 HydrophobicContact CB-CG 3.92Å; M13-L44 HydrophobicContact CG-CD1 3.73Å; M13-L44 HydrophobicContact CG-CG 4.12Å; M13-L44 HydrophobicContact SD-CD1 3.88Å; M13-A60 HydrophobicContact CG-CB 3.81Å; M13-A60 HydrophobicContact SD-CB 4.01Å; M13-I64 HydrophobicContact CE-CD1 3.37Å; M13-I64 HydrophobicContact CE-CG1 4.25Å; M13-I64 HydrophobicContact SD-CD1 3.81Å; M13-V71 PolarHBondContact N-O 3.39Å; M13-K72 HydrophobicContact CB-CB 4.25Å; M13-K72 HydrophobicContact CB-CG 3.96Å; M13-K72 HydrophobicContact CE-CB 3.64Å; M13-K72 HydrophobicContact CE-CD 4.43Å; M13-K72 HydrophobicContact CE-CG 4.19Å; M13-K72 HydrophobicContact SD-CB 4.35Å; M13-K72 HydrophobicContact SD-CD 4.19Å; M13-K72 HydrophobicContact SD-CG 4.25Å; M13-C73 WeakPolarHBondContact O-CB 3.47Å; M13-C73 PolarHBondContact O-N 3.49Å; M13-I99 HydrophobicContact SD-CD1 3.52Å; M13-I99 VanDerWaalsContact SD-CD1 3.52Å; M13-I99 HydrophobicContact SD-CG1 4.45Å; M13-E304 HydrophobicContact CE-CG 3.97Å
14Q97.5Very high97.4Very high36 Ų3622 Ų2217%0.16812%0.117CC..EExtended strand (participates in β ladder)trans-71.5157.4173.5-61.5178.2-47.400110.1E12 E24 Y42 L44E12-Q14 HydrophobicContact CG-CG 4.35Å; Q14-E24 PolarHBondContact NE2-OE1 3.06Å; Q14-Y42 PolarHBondContact N-O 3.34Å; Q14-L44 WeakPolarHBondContact O-CA 3.28Å; Q14-L44 VanDerWaalsContact O-CB 3.24Å; Q14-L44 WeakPolarHBondContact O-CB 3.43Å; Q14-L44 PolarHBondContact O-N 3.45Å
15G96.9Very high97.5Very high0 Ų018.6 Ų18.60%010%0.103CC..  trans-133.5-147.2-175.600000112.9R20 A74G15-R20 WeakPolarHBondContact O-CD 3.39Å; G15-R20 PolarHBondContact O-NH1 2.92Å; G15-R20 VanDerWaalsContact O-NH1 3.13Å; G15-A74 VanDerWaalsContact CA-O 3.31Å; G15-A74 WeakPolarHBondContact CA-O 2.97Å
16D97.8Very high97.6Very high12 Ų1218.3 Ų18.36%0.06410%0.101CC..  trans-117.6166.4-165.9-66.3-73.2000113.2T19 R20 G45 I46 A74 T75 I76 T311D16-T19 PolarHBondContact O-N 3.45Å; D16-T19 PolarHBondContact O-OG1 3.2Å; D16-R20 PolarHBondContact O-N 3.34Å; D16-G45 WeakPolarHBondContact OD1-CA 3.2Å; D16-I46 PolarHBondContact OD1-N 3.35Å; D16-A74 PolarHBondContact N-O 3.09Å; D16-T75 VanDerWaalsContact OD2-CA 3.29Å; D16-T75 WeakPolarHBondContact OD2-CA 3.39Å; D16-I76 HydrophobicContact CB-CD1 3.86Å; D16-I76 HydrophobicContact CB-CG1 3.71Å; D16-I76 PolarHBondContact OD2-N 2.9Å; D16-T311 HydrophobicContact CB-CG2 3.98Å
17E96.7Very high97.7Very high11 Ų1114.8 Ų14.85%0.0518%0.076CC..Hα-helixtrans48.5-138.3166-59.8-178.2146.300113.8T19 R20 I76 R82 T311 T313 Y316E17-T19 VanDerWaalsContact C-N 3.25Å; E17-T19 PolarHBondContact O-N 3.33Å; E17-R20 WeakPolarHBondContact O-CB 3.49Å; E17-R20 PolarHBondContact O-N 2.99Å; E17-I76 HydrophobicContact CG-CD1 3.97Å; E17-I76 HydrophobicContact CG-CG1 4.5Å; E17-R82 IonicContact OE1-CZ 3.42Å; E17-R82 IonicContact OE1-NH1 2.98Å; E17-R82 PolarHBondContact OE1-NH1 3.19Å; E17-R82 VanDerWaalsContact OE1-NH1 3.1Å; E17-R82 IonicContact OE1-NH2 2.88Å; E17-R82 PolarHBondContact OE1-NH2 2.9Å; E17-R82 IonicContact OE2-NH2 3.81Å; E17-T311 VanDerWaalsContact OE2-CB 3.23Å; E17-T311 WeakPolarHBondContact OE2-CB 3.17Å; E17-T311 PolarHBondContact OE2-OG1 2.95Å; E17-T313 VanDerWaalsContact CD-OG1 3.24Å; E17-T313 WeakPolarHBondContact OE1-CB 3.38Å; E17-T313 VanDerWaalsContact OE1-CG2 3.29Å; E17-T313 WeakPolarHBondContact OE1-CG2 3.33Å; E17-T313 PolarHBondContact OE1-OG1 3.46Å; E17-T313 VanDerWaalsContact OE1-OG1 3.09Å; E17-T313 WeakPolarHBondContact OE2-CA 3.49Å; E17-T313 WeakPolarHBondContact OE2-CB 3.4Å; E17-T313 PolarHBondContact OE2-N 3.33Å; E17-T313 PolarHBondContact OE2-OG1 3.07Å; E17-Y316 HydrophobicContact CB-CD1 3.75Å; E17-Y316 HydrophobicContact CB-CD2 4.18Å; E17-Y316 HydrophobicContact CB-CE1 4.39Å; E17-Y316 HydrophobicContact CB-CG 3.62Å; E17-Y316 HydrophobicContact CG-CD1 3.72Å; E17-Y316 HydrophobicContact CG-CE1 4.21Å; E17-Y316 HydrophobicContact CG-CG 4.14Å
18M97Very high97.7Very high0 Ų020.6 Ų20.60%010%0.103CC..Hα-helixtrans-69-29.7-172.5-169.564.9-155.900111.5R20 I21 I22 T311 V312 H315 Y319 T325 T327 T394 F395M18-R20 VanDerWaalsContact C-N 3.3Å; M18-R20 PolarHBondContact O-N 3.29Å; M18-I21 HydrophobicContact CE-CB 4.5Å; M18-I21 HydrophobicContact CE-CG2 4.47Å; M18-I21 PolarHBondContact O-N 2.75Å; M18-I22 HydrophobicContact CE-CD1 4.22Å; M18-I22 HydrophobicContact CE-CG1 4.16Å; M18-I22 HydrophobicContact CG-CD1 4.14Å; M18-I22 PolarHBondContact O-N 2.85Å; M18-I22 VanDerWaalsContact O-N 3.12Å; M18-T311 PolarHBondContact N-O 2.83Å; M18-V312 HydrophobicContact CB-CB 4.16Å; M18-H315 HydrophobicContact CB-CB 4.27Å; M18-H315 HydrophobicContact CG-CB 3.84Å; M18-H315 HydrophobicContact SD-CB 4.35Å; M18-Y319 HydrophobicContact SD-CG 4.27Å; M18-T325 HydrophobicContact CE-CG2 4.43Å; M18-T325 WeakPolarHBondContact CE-OG1 2.96Å; M18-T325 HydrophobicContact SD-CG2 4.27Å; M18-T327 HydrophobicContact CG-CG2 4.3Å; M18-T327 VanDerWaalsContact CG-OG1 3.28Å; M18-T327 WeakPolarHBondContact CG-OG1 3.1Å; M18-T394 HydrophobicContact CE-CG2 3.9Å; M18-F395 HydrophobicContact CE-CZ 4.38Å
19T96.2Very high97.7Very high0 Ų023.2 Ų23.20%011%0.109CC..Hα-helixtrans-64.2-35.4175.544.10000112D16 E17 I21 I22 W23 C73 A74 T311 V312D16-T19 PolarHBondContact O-N 3.45Å; D16-T19 PolarHBondContact O-OG1 3.2Å; E17-T19 VanDerWaalsContact C-N 3.25Å; E17-T19 PolarHBondContact O-N 3.33Å; T19-I21 PolarHBondContact O-N 2.85Å; T19-I22 PolarHBondContact O-N 3.12Å; T19-W23 WeakPolarHBondContact O-CB 3.43Å; T19-W23 PolarHBondContact O-N 3.34Å; T19-C73 VanDerWaalsContact C-SG 3.59Å; T19-A74 HydrophobicContact CG2-CB 3.96Å; T19-A74 PolarHBondContact OG1-O 2.77Å; T19-T311 PolarHBondContact N-O 2.93Å; T19-T311 WeakPolarHBondContact OG1-CA 3.48Å; T19-V312 HydrophobicContact CG2-CG2 4.05Å
20R97.3Very high97.7Very high79 Ų7921.8 Ų21.830%0.29810%0.099SC..Hα-helixtrans-59.4-45.2172.7-171.1-176.5-175113-5.2111.8G15 D16 E17 M18 I22 W23 E24 D43G15-R20 WeakPolarHBondContact O-CD 3.39Å; G15-R20 PolarHBondContact O-NH1 2.92Å; G15-R20 VanDerWaalsContact O-NH1 3.13Å; D16-R20 PolarHBondContact O-N 3.34Å; E17-R20 WeakPolarHBondContact O-CB 3.49Å; E17-R20 PolarHBondContact O-N 2.99Å; M18-R20 VanDerWaalsContact C-N 3.3Å; M18-R20 PolarHBondContact O-N 3.29Å; R20-I22 PolarHBondContact O-N 3.2Å; R20-W23 WeakPolarHBondContact O-CB 3.28Å; R20-W23 PolarHBondContact O-N 3.4Å; R20-E24 PolarHBondContact O-N 3.04Å; R20-E24 VanDerWaalsContact O-N 3.16Å; R20-D43 IonicContact CZ-OD1 3.31Å; R20-D43 IonicContact CZ-OD2 2.87Å; R20-D43 IonicContact NH1-OD1 2.93Å; R20-D43 PolarHBondContact NH1-OD1 3.2Å; R20-D43 IonicContact NH1-OD2 3.72Å; R20-D43 PolarHBondContact NH1-OD2 3.47Å; R20-D43 VanDerWaalsContact NH1-OD2 3.14Å; R20-D43 IonicContact NH2-OD1 3.51Å; R20-D43 IonicContact NH2-OD2 3.42Å; R20-D43 PolarHBondContact NH2-OD2 3.48Å
21I97.7Very high97.7Very high40 Ų4021.8 Ų21.821%0.20510%0.099CC..Hα-helixtrans-61.8-46.3179.4-53.7-56.2000110.8M18 T19 W23 E24 L25 Y319 F395M18-I21 HydrophobicContact CE-CB 4.5Å; M18-I21 HydrophobicContact CE-CG2 4.47Å; M18-I21 PolarHBondContact O-N 2.75Å; T19-I21 PolarHBondContact O-N 2.85Å; I21-W23 VanDerWaalsContact C-N 3.34Å; I21-E24 PolarHBondContact O-N 3.34Å; I21-L25 HydrophobicContact CG2-CD1 4.38Å; I21-L25 WeakPolarHBondContact O-CG 3.44Å; I21-L25 PolarHBondContact O-N 3.45Å; I21-L25 VanDerWaalsContact O-N 3.13Å; I21-Y319 HydrophobicContact CD1-CE1 3.85Å; I21-Y319 HydrophobicContact CG1-CD1 4.22Å; I21-Y319 HydrophobicContact CG1-CE1 3.89Å; I21-Y319 HydrophobicContact CG2-CE2 4.44Å; I21-F395 HydrophobicContact CG2-CE1 4.43Å
22I96.9Very high97.7Very high2 Ų225.2 Ų25.21%0.0111%0.114CC..Hα-helixtrans-67.5-37.2179.2-68.9165.4000111.5M18 T19 R20 E24 L25 I26 T327 P329 T394 M398M18-I22 HydrophobicContact CE-CD1 4.22Å; M18-I22 HydrophobicContact CE-CG1 4.16Å; M18-I22 HydrophobicContact CG-CD1 4.14Å; M18-I22 PolarHBondContact O-N 2.85Å; M18-I22 VanDerWaalsContact O-N 3.12Å; T19-I22 PolarHBondContact O-N 3.12Å; R20-I22 PolarHBondContact O-N 3.2Å; I22-E24 VanDerWaalsContact C-N 3.33Å; I22-E24 PolarHBondContact O-N 3.43Å; I22-L25 PolarHBondContact O-N 3.27Å; I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.2Å; I22-I26 VanDerWaalsContact O-CG1 3.24Å; I22-I26 WeakPolarHBondContact O-CG1 3.37Å; I22-I26 PolarHBondContact O-N 3.27Å; I22-T327 HydrophobicContact CD1-CG2 3.21Å; I22-P329 HydrophobicContact CG2-CB 3.5Å; I22-T394 HydrophobicContact CD1-CG2 3.66Å; I22-T394 HydrophobicContact CG1-CG2 3.61Å; I22-M398 HydrophobicContact CG2-CE 3.97Å
23W98Very high97.6Very high1 Ų127.9 Ų27.90%0.00413%0.132CC..Hα-helixtrans-59.9-43.6178.4-164.2-98.9000112E12 T19 R20 I21 K27 V71 K72 C73 A335 W336E12-W23 VanDerWaalsContact OE1-CD1 3.24Å; E12-W23 PolarHBondContact OE1-NE1 3.38Å; T19-W23 WeakPolarHBondContact O-CB 3.43Å; T19-W23 PolarHBondContact O-N 3.34Å; R20-W23 WeakPolarHBondContact O-CB 3.28Å; R20-W23 PolarHBondContact O-N 3.4Å; I21-W23 VanDerWaalsContact C-N 3.34Å; W23-K27 PolarHBondContact O-N 3.24Å; W23-V71 HydrophobicContact CH2-CB 4.22Å; W23-V71 HydrophobicContact CZ2-CB 4.07Å; W23-V71 HydrophobicContact CZ2-CG2 4.03Å; W23-K72 VanDerWaalsContact CH2-C 3.46Å; W23-C73 HydrophobicContact CB-CB 4.36Å; W23-C73 HydrophobicContact CD2-CB 3.61Å; W23-C73 HydrophobicContact CE3-CB 3.86Å; W23-C73 HydrophobicContact CG-CB 3.84Å; W23-C73 HydrophobicContact CZ2-CB 4.45Å; W23-C73 HydrophobicContact CZ3-CB 4.4Å; W23-A335 HydrophobicContact CH2-CB 4.02Å; W23-A335 HydrophobicContact CZ3-CB 4.07Å; W23-W336 AromaticContact CD2-NE1 3.51Å; W23-W336 AromaticContact CE2-CE2 3.68Å; W23-W336 AromaticContact CE2-CZ2 3.82Å; W23-W336 AromaticContact CE2-NE1 3.15Å; W23-W336 AromaticContact CE3-NE1 3.8Å; W23-W336 AromaticContact CH2-CD1 3.61Å; W23-W336 HydrophobicContact CH2-CG 4.35Å; W23-W336 AromaticContact CH2-NE1 3.46Å; W23-W336 AromaticContact CZ2-CD1 3.81Å; W23-W336 HydrophobicContact CZ2-CD2 4.34Å; W23-W336 AromaticContact CZ2-CE2 3.51Å; W23-W336 HydrophobicContact CZ2-CG 4.5Å; W23-W336 AromaticContact CZ2-CZ2 3.84Å; W23-W336 HydrophobicContact CZ2-CZ2 3.84Å; W23-W336 AromaticContact CZ2-NE1 3.14Å; W23-W336 AromaticContact CZ3-CD1 3.77Å; W23-W336 AromaticContact CZ3-NE1 3.77Å; W23-W336 AromaticContact NE1-CE2 3.93Å; W23-W336 AromaticContact NE1-CZ2 3.61Å; W23-W336 AromaticContact NE1-NE1 3.69Å
24E97.9Very high97.5Very high52 Ų5230 Ų3024%0.24314%0.14CC..Hα-helixtrans-65.9-43.5173.5-64.1-53.8135.900111.9Q14 R20 I21 I22 I26 K27 E28Q14-E24 PolarHBondContact NE2-OE1 3.06Å; R20-E24 PolarHBondContact O-N 3.04Å; R20-E24 VanDerWaalsContact O-N 3.16Å; I21-E24 PolarHBondContact O-N 3.34Å; I22-E24 VanDerWaalsContact C-N 3.33Å; I22-E24 PolarHBondContact O-N 3.43Å; E24-I26 VanDerWaalsContact C-N 3.32Å; E24-I26 PolarHBondContact O-N 3.01Å; E24-K27 VanDerWaalsContact CD-CE 3.42Å; E24-K27 WeakPolarHBondContact O-CB 3.46Å; E24-K27 PolarHBondContact O-N 2.76Å; E24-K27 VanDerWaalsContact O-N 3.14Å; E24-K27 WeakPolarHBondContact OE1-CE 3.3Å; E24-K27 IonicContact OE1-NZ 2.63Å; E24-K27 PolarHBondContact OE1-NZ 2.83Å; E24-K27 WeakPolarHBondContact OE2-CE 3.5Å; E24-K27 IonicContact OE2-NZ 2.9Å; E24-K27 PolarHBondContact OE2-NZ 3.3Å; E24-E28 WeakPolarHBondContact O-CG 3.24Å; E24-E28 PolarHBondContact O-N 3.32Å
25L97.8Very high97.6Very high19 Ų1928.4 Ų28.410%0.09913%0.132CC..Hα-helixtrans-60.5-39.3177-71.4171.9000113.1I21 I22 K27 E28 K29 F395 M398I21-L25 HydrophobicContact CG2-CD1 4.38Å; I21-L25 WeakPolarHBondContact O-CG 3.44Å; I21-L25 PolarHBondContact O-N 3.45Å; I21-L25 VanDerWaalsContact O-N 3.13Å; I22-L25 PolarHBondContact O-N 3.27Å; L25-K27 VanDerWaalsContact C-N 3.33Å; L25-E28 PolarHBondContact O-N 2.93Å; L25-K29 HydrophobicContact CD2-CD 4.39Å; L25-K29 VanDerWaalsContact O-CB 3.32Å; L25-K29 WeakPolarHBondContact O-CB 3.17Å; L25-K29 PolarHBondContact O-N 3.43Å; L25-F395 HydrophobicContact CD1-CD1 3.65Å; L25-F395 HydrophobicContact CD1-CE1 3.64Å; L25-M398 HydrophobicContact CB-CE 4.22Å; L25-M398 HydrophobicContact CB-CG 4.18Å
26I98.5Very high97.6Very high0 Ų034.6 Ų34.60%016%0.161CC..Hα-helixtrans-59.7-47.4175.6-70.6164.2000109.5I22 E24 L30 I31 S332 I333 W336 M398I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.2Å; I22-I26 VanDerWaalsContact O-CG1 3.24Å; I22-I26 WeakPolarHBondContact O-CG1 3.37Å; I22-I26 PolarHBondContact O-N 3.27Å; E24-I26 VanDerWaalsContact C-N 3.32Å; E24-I26 PolarHBondContact O-N 3.01Å; I26-L30 HydrophobicContact CG1-CD1 4.47Å; I26-L30 HydrophobicContact CG2-CD1 4.45Å; I26-L30 WeakPolarHBondContact O-CA 3.4Å; I26-L30 VanDerWaalsContact O-CB 3.26Å; I26-L30 WeakPolarHBondContact O-CB 3.49Å; I26-L30 PolarHBondContact O-N 2.98Å; I26-I31 HydrophobicContact CG2-CD1 3.8Å; I26-I31 HydrophobicContact CG2-CG1 4.16Å; I26-I31 PolarHBondContact O-N 3.46Å; I26-I31 VanDerWaalsContact O-N 3.16Å; I26-S332 VanDerWaalsContact CD1-CB 3.47Å; I26-I333 HydrophobicContact CD1-CG1 3.71Å; I26-I333 HydrophobicContact CG1-CG1 3.76Å; I26-I333 HydrophobicContact CG2-CG1 4.33Å; I26-W336 HydrophobicContact CG2-CG 4.29Å; I26-M398 HydrophobicContact CD1-CE 4.46Å; I26-M398 HydrophobicContact CG1-CE 3.58Å; I26-M398 HydrophobicContact CG1-SD 4.11Å
27K97.9Very high97.6Very high8 Ų835.2 Ų35.24%0.03517%0.165CC..Iπ-helixtrans-60.4-52.4177.2-73.7-173.7-66-174.90111.7E12 W23 E24 L25 K29 I31 F32 W336E12-K27 VanDerWaalsContact OE1-CD 3.28Å; E12-K27 WeakPolarHBondContact OE1-CD 3.24Å; E12-K27 WeakPolarHBondContact OE1-CE 3.41Å; E12-K27 IonicContact OE1-NZ 3.74Å; E12-K27 PolarHBondContact OE1-NZ 3.37Å; E12-K27 IonicContact OE2-NZ 2.68Å; E12-K27 PolarHBondContact OE2-NZ 3.03Å; W23-K27 PolarHBondContact O-N 3.24Å; E24-K27 VanDerWaalsContact CD-CE 3.42Å; E24-K27 WeakPolarHBondContact O-CB 3.46Å; E24-K27 PolarHBondContact O-N 2.76Å; E24-K27 VanDerWaalsContact O-N 3.14Å; E24-K27 WeakPolarHBondContact OE1-CE 3.3Å; E24-K27 IonicContact OE1-NZ 2.63Å; E24-K27 PolarHBondContact OE1-NZ 2.83Å; E24-K27 WeakPolarHBondContact OE2-CE 3.5Å; E24-K27 IonicContact OE2-NZ 2.9Å; E24-K27 PolarHBondContact OE2-NZ 3.3Å; L25-K27 VanDerWaalsContact C-N 3.33Å; K27-K29 PolarHBondContact O-N 2.84Å; K27-I31 PolarHBondContact O-N 2.82Å; K27-F32 HydrophobicContact CB-CD2 3.89Å; K27-F32 HydrophobicContact CB-CE2 3.72Å; K27-F32 HydrophobicContact CB-CG 4.42Å; K27-F32 HydrophobicContact CB-CZ 4.1Å; K27-F32 HydrophobicContact CD-CE1 4.46Å; K27-F32 HydrophobicContact CD-CE2 3.89Å; K27-F32 HydrophobicContact CD-CZ 3.68Å; K27-F32 HydrophobicContact CG-CE2 4.25Å; K27-F32 HydrophobicContact CG-CZ 4.15Å; K27-F32 WeakPolarHBondContact O-CB 3.37Å; K27-F32 PolarHBondContact O-N 2.97Å; K27-W336 HydrophobicContact CD-CH2 4.02Å; K27-W336 HydrophobicContact CD-CZ2 3.63Å; K27-W336 HydrophobicContact CG-CH2 4.12Å; K27-W336 HydrophobicContact CG-CZ2 3.57Å
28E97.6Very high97.7Very high123 Ų12338.5 Ų38.558%0.57518%0.183SC*.Iπ-helixtrans-64.2-40.9-175.1-72179.2174.800113.5E24 L25 P33E24-E28 WeakPolarHBondContact O-CG 3.24Å; E24-E28 PolarHBondContact O-N 3.32Å; L25-E28 PolarHBondContact O-N 2.93Å; E28-P33 VanDerWaalsContact O-CD 3.27Å; E28-P33 WeakPolarHBondContact O-CD 3.18Å; E28-P33 WeakPolarHBondContact O-CG 3.32Å
29K97.9Very high97.7Very high74 Ų7440.6 Ų40.632%0.32219%0.193SC..Iπ-helixtrans-98.5-30.5-171.8-66.6176.8176.8-79.20113.7L25 K27 M398 D399L25-K29 HydrophobicContact CD2-CD 4.39Å; L25-K29 VanDerWaalsContact O-CB 3.32Å; L25-K29 WeakPolarHBondContact O-CB 3.17Å; L25-K29 PolarHBondContact O-N 3.43Å; K27-K29 PolarHBondContact O-N 2.84Å; K29-M398 HydrophobicContact CB-CG 4.42Å; K29-M398 HydrophobicContact CD-CB 4.46Å; K29-M398 HydrophobicContact CD-CG 3.63Å; K29-D399 VanDerWaalsContact CE-OD1 3.29Å; K29-D399 WeakPolarHBondContact CE-OD1 3.49Å; K29-D399 IonicContact NZ-OD1 2.88Å; K29-D399 PolarHBondContact NZ-OD1 2.97Å
30L98.4Very high97.8Very high0 Ų042.9 Ų42.90%020%0.204CC..Iπ-helixtrans-114.2-29.6-169.5-52.2178.8000113.5I26 Y34 I333 F355 L359 M398 L401 L405I26-L30 HydrophobicContact CG1-CD1 4.47Å; I26-L30 HydrophobicContact CG2-CD1 4.45Å; I26-L30 WeakPolarHBondContact O-CA 3.4Å; I26-L30 VanDerWaalsContact O-CB 3.26Å; I26-L30 WeakPolarHBondContact O-CB 3.49Å; I26-L30 PolarHBondContact O-N 2.98Å; L30-Y34 VanDerWaalsContact O-CD2 3.3Å; L30-Y34 WeakPolarHBondContact O-CD2 3.24Å; L30-I333 HydrophobicContact CD1-CD1 3.75Å; L30-I333 HydrophobicContact CD1-CG1 3.96Å; L30-F355 VanDerWaalsContact O-CZ 3.24Å; L30-F355 WeakPolarHBondContact O-CZ 3.48Å; L30-L359 HydrophobicContact CB-CD1 4.4Å; L30-L359 HydrophobicContact CB-CD2 4.23Å; L30-L359 HydrophobicContact CD1-CD1 4.27Å; L30-M398 HydrophobicContact CD1-SD 3.5Å; L30-M398 WeakPolarHBondContact CD1-SD 3.34Å; L30-M398 HydrophobicContact CG-SD 3.98Å; L30-L401 HydrophobicContact CD2-CB 4.13Å; L30-L405 HydrophobicContact CB-CD2 4.34Å; L30-L405 HydrophobicContact CD2-CD2 4.23Å
31I98.3Very high97.9Very high0 Ų042.2 Ų42.20%021%0.212CC..Iπ-helixtrans-106.4-65.5-173.4-55.7178.1000112I26 K27 P33 Y34 V35 L37 W336 L340I26-I31 HydrophobicContact CG2-CD1 3.8Å; I26-I31 HydrophobicContact CG2-CG1 4.16Å; I26-I31 PolarHBondContact O-N 3.46Å; I26-I31 VanDerWaalsContact O-N 3.16Å; K27-I31 PolarHBondContact O-N 2.82Å; I31-P33 VanDerWaalsContact C-N 3.31Å; I31-Y34 PolarHBondContact O-N 3.1Å; I31-V35 HydrophobicContact CG2-CB 4.2Å; I31-V35 PolarHBondContact O-N 3.11Å; I31-L37 HydrophobicContact CG2-CD1 4.02Å; I31-W336 HydrophobicContact CD1-CB 3.67Å; I31-W336 HydrophobicContact CD1-CD2 3.22Å; I31-W336 HydrophobicContact CD1-CE3 3.46Å; I31-W336 VanDerWaalsContact CD1-CE3 3.46Å; I31-W336 HydrophobicContact CD1-CG 3.33Å; I31-W336 HydrophobicContact CD1-CZ3 4.19Å; I31-L340 HydrophobicContact CG2-CD1 4.38Å
32F97.5Very high97.9Very high71 Ų7143.2 Ų43.231%0.31121%0.213SC..THydrogen-bonded Turntrans-61.6-23.9-173.7-66.8-21.7000115.8K4 K27 Y34 L37 L39K4-F32 WeakPolarHBondContact CD-O 3.35Å; K4-F32 WeakPolarHBondContact CE-O 3.38Å; K4-F32 PolarHBondContact NZ-O 3.16Å; K27-F32 HydrophobicContact CB-CD2 3.89Å; K27-F32 HydrophobicContact CB-CE2 3.72Å; K27-F32 HydrophobicContact CB-CG 4.42Å; K27-F32 HydrophobicContact CB-CZ 4.1Å; K27-F32 HydrophobicContact CD-CE1 4.46Å; K27-F32 HydrophobicContact CD-CE2 3.89Å; K27-F32 HydrophobicContact CD-CZ 3.68Å; K27-F32 HydrophobicContact CG-CE2 4.25Å; K27-F32 HydrophobicContact CG-CZ 4.15Å; K27-F32 WeakPolarHBondContact O-CB 3.37Å; K27-F32 PolarHBondContact O-N 2.97Å; F32-Y34 PolarHBondContact O-N 2.83Å; F32-L37 HydrophobicContact CE1-CD1 4.35Å; F32-L39 HydrophobicContact CE1-CD2 4.47Å; F32-L39 HydrophobicContact CZ-CD2 4.01Å
33P96.9Very high98Very high58 Ų5845 Ų4538%0.37722%0.223SC..THydrogen-bonded Turntrans-62.9-25.5170.3-2637000113.3E28 I31E28-P33 VanDerWaalsContact O-CD 3.27Å; E28-P33 WeakPolarHBondContact O-CD 3.18Å; E28-P33 WeakPolarHBondContact O-CG 3.32Å; I31-P33 VanDerWaalsContact C-N 3.31Å
34Y97.5Very high98Very high45 Ų4545 Ų4518%0.17622%0.223CC..THydrogen-bonded Turntrans-119.4-26.7-170.6-49.8-76.6000113.9K4 I5 L30 I31 F32 F355 L405 K406 L409K4-Y34 CarbonylContact C-O 3.6Å; K4-Y34 WeakPolarHBondContact CA-O 3.28Å; I5-Y34 PolarHBondContact N-O 3.32Å; L30-Y34 VanDerWaalsContact O-CD2 3.3Å; L30-Y34 WeakPolarHBondContact O-CD2 3.24Å; I31-Y34 PolarHBondContact O-N 3.1Å; F32-Y34 PolarHBondContact O-N 2.83Å; Y34-F355 AromaticContact CD2-CE2 3.86Å; Y34-F355 HydrophobicContact CD2-CE2 3.86Å; Y34-F355 HydrophobicContact CG-CE2 4.01Å; Y34-L405 HydrophobicContact CD2-CD2 4.08Å; Y34-L405 HydrophobicContact CE2-CD2 3.63Å; Y34-L405 HydrophobicContact CE2-CG 4.24Å; Y34-K406 WeakPolarHBondContact OH-CB 3.38Å; Y34-L409 HydrophobicContact CD1-CD1 3.46Å; Y34-L409 VanDerWaalsContact CD1-CD1 3.46Å; Y34-L409 HydrophobicContact CD2-CD1 4.13Å; Y34-L409 HydrophobicContact CE1-CD1 3.65Å; Y34-L409 HydrophobicContact CE2-CD1 4.3Å; Y34-L409 HydrophobicContact CG-CD1 3.71Å
35V98Very high98Very high1 Ų142.7 Ų42.71%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-124.2135.8-174-169.70000110.7I5 I31 L37 L352 F355I5-V35 HydrophobicContact CB-CG2 4.38Å; I5-V35 HydrophobicContact CD1-CG2 4.29Å; I5-V35 CarbonylContact O-C 3.55Å; I5-V35 WeakPolarHBondContact O-CA 3.41Å; I31-V35 HydrophobicContact CG2-CB 4.2Å; I31-V35 PolarHBondContact O-N 3.11Å; V35-L37 HydrophobicContact CG1-CD2 3.74Å; V35-L37 HydrophobicContact CG1-CG 3.95Å; V35-L352 HydrophobicContact CG1-CD1 3.8Å; V35-L352 HydrophobicContact CG2-CD1 4.16Å; V35-F355 HydrophobicContact CG2-CD1 3.59Å; V35-F355 HydrophobicContact CG2-CD2 4.22Å; V35-F355 HydrophobicContact CG2-CE1 3.52Å; V35-F355 HydrophobicContact CG2-CE2 4.16Å; V35-F355 HydrophobicContact CG2-CG 3.96Å; V35-F355 HydrophobicContact CG2-CZ 3.83Å
36E98Very high98Very high130 Ų13041.9 Ų41.961%0.60721%0.209SC*.EExtended strand (participates in β ladder)trans-104.5118.6169.8-177.8171.4-158.300109.2K4 I5 G7K4-E36 HydrophobicContact CB-CB 4.23Å; K4-E36 HydrophobicContact CD-CB 4.47Å; I5-E36 PolarHBondContact O-N 3.36Å; G7-E36 PolarHBondContact N-O 3.03Å
37L97.8Very high98Very high26 Ų2648.8 Ų48.814%0.13624%0.241CC..EExtended strand (participates in β ladder)trans-113.1142.6-174.5-64.9171.6000111.2V10 I31 F32 V35 L39 W336 L340V10-L37 HydrophobicContact CG2-CD2 4.18Å; I31-L37 HydrophobicContact CG2-CD1 4.02Å; F32-L37 HydrophobicContact CE1-CD1 4.35Å; V35-L37 HydrophobicContact CG1-CD2 3.74Å; V35-L37 HydrophobicContact CG1-CG 3.95Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-L39 HydrophobicContact CB-CB 4.45Å; L37-L39 HydrophobicContact CB-CD1 4.4Å; L37-L39 HydrophobicContact CD1-CD1 4.23Å; L37-L39 PolarHBondContact O-N 3.34Å; L37-W336 HydrophobicContact CD1-CZ3 3.83Å; L37-L340 HydrophobicContact CD1-CD2 4.16Å; L37-L340 HydrophobicContact CD2-CD2 3.68Å
38D98.1Very high98Very high80 Ų8051 Ų5143%0.42825%0.253SS..EExtended strand (participates in β ladder)trans-81.286.2160.7170.243000107.9G8 S9 V10 H40G8-D38 PolarHBondContact O-N 3.49Å; S9-D38 CarbonylContact C-O 3.58Å; S9-D38 VanDerWaalsContact CA-O 3.24Å; S9-D38 WeakPolarHBondContact CA-O 3.36Å; S9-D38 WeakPolarHBondContact CB-OD2 3.44Å; S9-D38 PolarHBondContact OG-OD2 3.33Å; V10-D38 PolarHBondContact N-O 3.13Å; D38-H40 VanDerWaalsContact CG-NE2 3.35Å; D38-H40 PolarHBondContact O-CD2 3.45Å; D38-H40 IonicContact OD1-CE1 2.84Å; D38-H40 IonicContact OD1-NE2 3.47Å; D38-H40 PolarHBondContact OD1-NE2 2.93Å; D38-H40 IonicContact OD2-CD2 3.14Å; D38-H40 IonicContact OD2-CE1 2.74Å; D38-H40 IonicContact OD2-NE2 2.85Å; D38-H40 PolarHBondContact OD2-NE2 3.05Å
39L97.9Very high98Very high44 Ų4445.1 Ų45.123%0.2323%0.226CC..EExtended strand (participates in β ladder)trans-92.3120.3-169-15768.6000111.7V10 E12 F32 L37 W336V10-L39 HydrophobicContact CB-CD1 4.05Å; V10-L39 HydrophobicContact CG1-CD1 4.21Å; V10-L39 WeakPolarHBondContact O-CA 3.4Å; E12-L39 HydrophobicContact CB-CD1 3.9Å; E12-L39 HydrophobicContact CB-CD2 4.21Å; E12-L39 HydrophobicContact CB-CG 3.97Å; E12-L39 VanDerWaalsContact OE2-CD2 3.24Å; E12-L39 WeakPolarHBondContact OE2-CD2 3.49Å; F32-L39 HydrophobicContact CE1-CD2 4.47Å; F32-L39 HydrophobicContact CZ-CD2 4.01Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-L39 HydrophobicContact CB-CB 4.45Å; L37-L39 HydrophobicContact CB-CD1 4.4Å; L37-L39 HydrophobicContact CD1-CD1 4.23Å; L37-L39 PolarHBondContact O-N 3.34Å; L39-W336 HydrophobicContact CD1-CH2 3.92Å; L39-W336 HydrophobicContact CD1-CZ3 4.23Å; L39-W336 HydrophobicContact CD2-CH2 4.47Å
40H98.5Very high98Very high48 Ų4842.6 Ų42.622%0.22222%0.216CC..EExtended strand (participates in β ladder)trans-100.589.9174.6-61-97.5000108.1V10 V11 E12 D38 Y42 H67V10-H40 PolarHBondContact O-N 3.31Å; V11-H40 CarbonylContact C-O 3.48Å; V11-H40 WeakPolarHBondContact CA-O 3.25Å; V11-H40 HydrophobicContact CG2-CB 4.16Å; E12-H40 PolarHBondContact N-O 3.12Å; D38-H40 VanDerWaalsContact CG-NE2 3.35Å; D38-H40 PolarHBondContact O-CD2 3.45Å; D38-H40 IonicContact OD1-CE1 2.84Å; D38-H40 IonicContact OD1-NE2 3.47Å; D38-H40 PolarHBondContact OD1-NE2 2.93Å; D38-H40 IonicContact OD2-CD2 3.14Å; D38-H40 IonicContact OD2-CE1 2.74Å; D38-H40 IonicContact OD2-NE2 2.85Å; D38-H40 PolarHBondContact OD2-NE2 3.05Å; H40-Y42 HydrophobicContact CB-CE2 4.16Å; H40-Y42 WeakPolarHBondContact O-CD2 3.35Å; H40-H67 AromaticContact CD2-CE1 3.96Å; H40-H67 AromaticContact CE1-CE1 3.46Å; H40-H67 PolarHBondContact CE1-CE1 2.81Å; H40-H67 VanDerWaalsContact CE1-CE1 3.46Å; H40-H67 AromaticContact CE1-NE2 3.56Å; H40-H67 AromaticContact ND1-NE2 3.69Å; H40-H67 AromaticContact NE2-CE1 3.4Å; H40-H67 PolarHBondContact NE2-CE1 3.41Å; H40-H67 AromaticContact NE2-ND1 3.83Å; H40-H67 AromaticContact NE2-NE2 3.82Å
41S98.3Very high98Very high65 Ų6545.7 Ų45.746%0.45524%0.241SC..EExtended strand (participates in β ladder)trans-89.7133.7-172.3-58.40000113.1E12E12-S41 CarbonylContact O-C 3.57Å; E12-S41 WeakPolarHBondContact O-CA 3.48Å; E12-S41 PolarHBondContact OE2-OG 3.43Å
42Y98.6Very high98Very high61 Ų6148 Ų4824%0.23926%0.256CS..EExtended strand (participates in β ladder)trans-127124176.6-65.9-96.8000109.5V11 E12 M13 Q14 H40 L44 V56 D59 A60 A63V11-Y42 HydrophobicContact CG1-CD2 3.7Å; V11-Y42 HydrophobicContact CG1-CE2 3.8Å; E12-Y42 PolarHBondContact O-N 2.98Å; M13-Y42 CarbonylContact C-O 3.49Å; M13-Y42 WeakPolarHBondContact CA-O 3.43Å; Q14-Y42 PolarHBondContact N-O 3.34Å; H40-Y42 HydrophobicContact CB-CE2 4.16Å; H40-Y42 WeakPolarHBondContact O-CD2 3.35Å; Y42-L44 PolarHBondContact O-N 3.29Å; Y42-V56 HydrophobicContact CD1-CG2 4.16Å; Y42-D59 HydrophobicContact CD1-CB 4.33Å; Y42-D59 HydrophobicContact CE1-CB 3.87Å; Y42-A60 HydrophobicContact CD1-CB 3.98Å; Y42-A60 HydrophobicContact CD2-CB 4.07Å; Y42-A60 HydrophobicContact CG-CB 3.68Å; Y42-A63 HydrophobicContact CE2-CB 3.61Å; Y42-A63 VanDerWaalsContact OH-CB 3.27Å; Y42-A63 WeakPolarHBondContact OH-CB 3.26Å
43D98.4Very high98Very high40 Ų4049.2 Ų49.221%0.21427%0.265CS..EExtended strand (participates in β ladder)trans-83.5103177.9-167.9-10.4000110.4R20 G45 N48R20-D43 IonicContact CZ-OD1 3.31Å; R20-D43 IonicContact CZ-OD2 2.87Å; R20-D43 IonicContact NH1-OD1 2.93Å; R20-D43 PolarHBondContact NH1-OD1 3.2Å; R20-D43 IonicContact NH1-OD2 3.72Å; R20-D43 PolarHBondContact NH1-OD2 3.47Å; R20-D43 VanDerWaalsContact NH1-OD2 3.14Å; R20-D43 IonicContact NH2-OD1 3.51Å; R20-D43 IonicContact NH2-OD2 3.42Å; R20-D43 PolarHBondContact NH2-OD2 3.48Å; D43-G45 VanDerWaalsContact C-N 3.27Å; D43-G45 WeakPolarHBondContact OD1-CA 3.49Å; D43-G45 PolarHBondContact OD1-N 2.89Å; D43-N48 HydrophobicContact CB-CB 4.36Å; D43-N48 PolarHBondContact O-ND2 2.91Å
44L98.2Very high98.1Very high0 Ų047 Ų470%025%0.25CS..  trans-92.718174.9-51.2-167.9000112.4M13 Q14 Y42 R49 V56 A60 T75 P95 I99M13-L44 HydrophobicContact CB-CD1 3.68Å; M13-L44 HydrophobicContact CB-CG 3.92Å; M13-L44 HydrophobicContact CG-CD1 3.73Å; M13-L44 HydrophobicContact CG-CG 4.12Å; M13-L44 HydrophobicContact SD-CD1 3.88Å; Q14-L44 WeakPolarHBondContact O-CA 3.28Å; Q14-L44 VanDerWaalsContact O-CB 3.24Å; Q14-L44 WeakPolarHBondContact O-CB 3.43Å; Q14-L44 PolarHBondContact O-N 3.45Å; Y42-L44 PolarHBondContact O-N 3.29Å; L44-R49 HydrophobicContact CB-CG 4.48Å; L44-R49 WeakPolarHBondContact O-CD 3.32Å; L44-V56 HydrophobicContact CD2-CB 4.41Å; L44-V56 HydrophobicContact CD2-CG1 3.89Å; L44-V56 HydrophobicContact CD2-CG2 3.99Å; L44-A60 HydrophobicContact CD2-CB 4.32Å; L44-T75 HydrophobicContact CB-CG2 3.71Å; L44-T75 WeakPolarHBondContact O-CG2 3.46Å; L44-P95 HydrophobicContact CD1-CB 4.41Å; L44-I99 HydrophobicContact CD1-CD1 3.93Å
45G97.6Very high98.1Very high4 Ų448.8 Ų48.84%0.04126%0.26CS..  trans-57.7144.5168.500000111.5D16 D43 E47 N48 R49D16-G45 WeakPolarHBondContact OD1-CA 3.2Å; D43-G45 VanDerWaalsContact C-N 3.27Å; D43-G45 WeakPolarHBondContact OD1-CA 3.49Å; D43-G45 PolarHBondContact OD1-N 2.89Å; G45-E47 VanDerWaalsContact C-N 3.25Å; G45-E47 PolarHBondContact O-N 3.4Å; G45-N48 PolarHBondContact O-N 3.44Å; G45-N48 VanDerWaalsContact O-N 3.08Å; G45-R49 WeakPolarHBondContact O-CG 3.5Å; G45-R49 PolarHBondContact O-N 3.12Å
46I97.9Very high98.1Very high1 Ų149.3 Ų49.31%0.00526%0.263CS..Hα-helixtrans-58.7-35.1-169.7-169.161.6000113.2D16 D50 I76 P78 F86 L88D16-I46 PolarHBondContact OD1-N 3.35Å; I46-D50 WeakPolarHBondContact O-CB 3.4Å; I46-D50 PolarHBondContact O-N 2.86Å; I46-I76 HydrophobicContact CB-CB 4.32Å; I46-I76 HydrophobicContact CG1-CG2 4.5Å; I46-I76 HydrophobicContact CG2-CD1 4.07Å; I46-P78 HydrophobicContact CD1-CG 4.08Å; I46-F86 HydrophobicContact CG2-CD1 3.64Å; I46-F86 HydrophobicContact CG2-CD2 4.15Å; I46-F86 HydrophobicContact CG2-CE1 3.66Å; I46-F86 HydrophobicContact CG2-CE2 4.17Å; I46-F86 HydrophobicContact CG2-CG 3.9Å; I46-F86 HydrophobicContact CG2-CZ 3.94Å; I46-L88 HydrophobicContact CD1-CD1 4Å; I46-L88 HydrophobicContact CG1-CD1 3.82Å; I46-L88 HydrophobicContact CG1-CD2 3.86Å
47E97.8Very high98.1Very high146 Ų14643.1 Ų43.168%0.68223%0.234SC*.Hα-helixtrans-67.2-43.2177.2-65.2179.1109.900112G45 D50 A51 F86G45-E47 VanDerWaalsContact C-N 3.25Å; G45-E47 PolarHBondContact O-N 3.4Å; E47-D50 PolarHBondContact O-N 3.04Å; E47-A51 WeakPolarHBondContact O-CB 3.04Å; E47-A51 PolarHBondContact O-N 3.5Å; E47-F86 HydrophobicContact CG-CD1 4.19Å
48N98.4Very high98.2Very high54 Ų5446.4 Ų46.429%0.28925%0.248SC..Hα-helixtrans-71.8-36.2178-171.851.1000111.8D43 G45 A51 T52D43-N48 HydrophobicContact CB-CB 4.36Å; D43-N48 PolarHBondContact O-ND2 2.91Å; G45-N48 PolarHBondContact O-N 3.44Å; G45-N48 VanDerWaalsContact O-N 3.08Å; N48-A51 PolarHBondContact O-N 2.91Å; N48-T52 WeakPolarHBondContact O-CB 3.13Å; N48-T52 WeakPolarHBondContact O-CG2 3.47Å; N48-T52 PolarHBondContact O-N 2.88Å; N48-T52 PolarHBondContact O-OG1 2.8Å
49R98.2Very high98.2Very high0 Ų045.9 Ų45.90%025%0.245CC..Hα-helixtrans-61.1-46.1171.5-70.7177.958.5-142.4-3.3111.2L44 G45 T52 N53 D54 V56 I76 K93 P95L44-R49 HydrophobicContact CB-CG 4.48Å; L44-R49 WeakPolarHBondContact O-CD 3.32Å; G45-R49 WeakPolarHBondContact O-CG 3.5Å; G45-R49 PolarHBondContact O-N 3.12Å; R49-T52 PolarHBondContact O-N 3.06Å; R49-T52 PolarHBondContact O-OG1 2.75Å; R49-N53 PolarHBondContact O-N 2.86Å; R49-N53 VanDerWaalsContact O-N 3.14Å; R49-D54 IonicContact CZ-OD1 2.73Å; R49-D54 IonicContact NE-OD1 3.1Å; R49-D54 PolarHBondContact NE-OD1 3.37Å; R49-D54 IonicContact NH2-OD1 3.46Å; R49-D54 PolarHBondContact NH2-OD1 2.9Å; R49-D54 VanDerWaalsContact NH2-OD1 3.09Å; R49-D54 IonicContact NH2-OD2 3.09Å; R49-D54 PolarHBondContact NH2-OD2 3.24Å; R49-D54 PolarHBondContact O-N 3.26Å; R49-V56 HydrophobicContact CG-CG1 3.9Å; R49-I76 PolarHBondContact NH1-O 3.21Å; R49-K93 PolarHBondContact NH2-O 3.05Å; R49-P95 VanDerWaalsContact NH1-CG 3.26Å
50D98.4Very high98.2Very high21 Ų2143.8 Ų43.811%0.11223%0.234CC..Hα-helixtrans-61.6-46.9175.1-172.384.5000111.6I46 E47 T52 N53 L88 K89 W92I46-D50 WeakPolarHBondContact O-CB 3.4Å; I46-D50 PolarHBondContact O-N 2.86Å; E47-D50 PolarHBondContact O-N 3.04Å; D50-T52 VanDerWaalsContact C-N 3.3Å; D50-T52 PolarHBondContact O-N 2.63Å; D50-N53 PolarHBondContact O-N 3.33Å; D50-N53 VanDerWaalsContact O-N 3.13Å; D50-L88 HydrophobicContact CB-CD2 3.95Å; D50-K89 PolarHBondContact O-NZ 3.17Å; D50-K89 WeakPolarHBondContact OD1-CB 2.99Å; D50-K89 PolarHBondContact OD1-N 3.3Å; D50-K89 WeakPolarHBondContact OD2-CD 3.27Å; D50-K89 VanDerWaalsContact OD2-CE 3.31Å; D50-K89 WeakPolarHBondContact OD2-CE 3.36Å; D50-K89 WeakPolarHBondContact OD2-CG 2.96Å; D50-K89 IonicContact OD2-NZ 3.91Å; D50-W92 PolarHBondContact OD1-NE1 3.33Å
51A98.4Very high98.2Very high65 Ų6541.5 Ų41.554%0.53722%0.223SC..Hα-helixtrans-56.5-4217900000112.6E47 N48E47-A51 WeakPolarHBondContact O-CB 3.04Å; E47-A51 PolarHBondContact O-N 3.5Å; N48-A51 PolarHBondContact O-N 2.91Å
52T98.2Very high98.2Very high49 Ų4943 Ų4330%0.30122%0.223SC..THydrogen-bonded Turntrans-89.66.4-178.561.50000114.3N48 R49 D50 D54 Q55 V56N48-T52 WeakPolarHBondContact O-CB 3.13Å; N48-T52 WeakPolarHBondContact O-CG2 3.47Å; N48-T52 PolarHBondContact O-N 2.88Å; N48-T52 PolarHBondContact O-OG1 2.8Å; R49-T52 PolarHBondContact O-N 3.06Å; R49-T52 PolarHBondContact O-OG1 2.75Å; D50-T52 VanDerWaalsContact C-N 3.3Å; D50-T52 PolarHBondContact O-N 2.63Å; T52-D54 PolarHBondContact O-N 2.86Å; T52-Q55 WeakPolarHBondContact O-CB 3.47Å; T52-Q55 PolarHBondContact O-N 3.49Å; T52-Q55 VanDerWaalsContact O-N 3.08Å; T52-V56 HydrophobicContact CG2-CB 4.39Å; T52-V56 WeakPolarHBondContact OG1-CG1 3.34Å
53N97.8Very high98.2Very high95 Ų9540.5 Ų40.551%0.50822%0.215SC..THydrogen-bonded Turntrans52.539.3-172-53.8-47.7000113.2R49 D50 Q55 K89 W92R49-N53 PolarHBondContact O-N 2.86Å; R49-N53 VanDerWaalsContact O-N 3.14Å; D50-N53 PolarHBondContact O-N 3.33Å; D50-N53 VanDerWaalsContact O-N 3.13Å; N53-Q55 PolarHBondContact O-N 3.3Å; N53-K89 PolarHBondContact OD1-NZ 3.42Å; N53-W92 HydrophobicContact CB-CH2 3.79Å
54D97.4Very high98.2Very high12 Ų1238.6 Ų38.66%0.06421%0.205CC..THydrogen-bonded Turntrans61.615.3-176.9-154.535.5000114.5R49 T52 V56 T57 W92R49-D54 IonicContact CZ-OD1 2.73Å; R49-D54 IonicContact NE-OD1 3.1Å; R49-D54 PolarHBondContact NE-OD1 3.37Å; R49-D54 IonicContact NH2-OD1 3.46Å; R49-D54 PolarHBondContact NH2-OD1 2.9Å; R49-D54 VanDerWaalsContact NH2-OD1 3.09Å; R49-D54 IonicContact NH2-OD2 3.09Å; R49-D54 PolarHBondContact NH2-OD2 3.24Å; R49-D54 PolarHBondContact O-N 3.26Å; T52-D54 PolarHBondContact O-N 2.86Å; D54-V56 VanDerWaalsContact C-N 3.3Å; D54-V56 PolarHBondContact O-N 3.19Å; D54-T57 PolarHBondContact O-N 2.85Å; D54-T57 WeakPolarHBondContact OD1-CB 3.3Å; D54-T57 PolarHBondContact OD1-OG1 3.38Å; D54-W92 HydrophobicContact CB-CD2 4.37Å; D54-W92 HydrophobicContact CB-CE3 3.67Å; D54-W92 HydrophobicContact CB-CZ3 3.83Å
55Q98.3Very high98.1Very high82 Ų8242.5 Ų42.538%0.38322%0.222SC..Hα-helixtrans-64.5-36176.4-172.857.541.600111.4T52 N53 T57 K58 D59T52-Q55 WeakPolarHBondContact O-CB 3.47Å; T52-Q55 PolarHBondContact O-N 3.49Å; T52-Q55 VanDerWaalsContact O-N 3.08Å; N53-Q55 PolarHBondContact O-N 3.3Å; Q55-T57 PolarHBondContact O-N 3Å; Q55-K58 WeakPolarHBondContact O-CB 3.36Å; Q55-K58 PolarHBondContact O-N 3.31Å; Q55-D59 PolarHBondContact NE2-OD1 2.92Å; Q55-D59 VanDerWaalsContact O-CG 3.27Å; Q55-D59 PolarHBondContact O-N 3.39Å
56V98.5Very high98.1Very high12 Ų1249.8 Ų49.87%0.07325%0.252CS..Hα-helixtrans-55.2-35.5176.767.40000112.8Y42 L44 R49 T52 D54 D59 A60Y42-V56 HydrophobicContact CD1-CG2 4.16Å; L44-V56 HydrophobicContact CD2-CB 4.41Å; L44-V56 HydrophobicContact CD2-CG1 3.89Å; L44-V56 HydrophobicContact CD2-CG2 3.99Å; R49-V56 HydrophobicContact CG-CG1 3.9Å; T52-V56 HydrophobicContact CG2-CB 4.39Å; T52-V56 WeakPolarHBondContact OG1-CG1 3.34Å; D54-V56 VanDerWaalsContact C-N 3.3Å; D54-V56 PolarHBondContact O-N 3.19Å; V56-D59 PolarHBondContact O-N 3.13Å; V56-A60 WeakPolarHBondContact O-CB 3.4Å; V56-A60 PolarHBondContact O-N 3.35Å
57T98.3Very high98.1Very high0 Ų051 Ų510%026%0.258CS..Hα-helixtrans-67.9-37.8177.8-570000111.7D54 Q55 A61 P95 T98 I99D54-T57 PolarHBondContact O-N 2.85Å; D54-T57 WeakPolarHBondContact OD1-CB 3.3Å; D54-T57 PolarHBondContact OD1-OG1 3.38Å; Q55-T57 PolarHBondContact O-N 3Å; T57-A61 PolarHBondContact O-N 3.37Å; T57-P95 HydrophobicContact CG2-CB 4.05Å; T57-T98 HydrophobicContact CG2-CG2 3.72Å; T57-I99 HydrophobicContact CG2-CD1 4.31Å; T57-I99 HydrophobicContact CG2-CG1 3.96Å
58K98.1Very high98.2Very high96 Ų9646.1 Ų46.142%0.41724%0.236SC..Hα-helixtrans-71.4-43176.1-58.9179.1-172.7163.50110.9Q55 A60 A61 E62 T98 I102Q55-K58 WeakPolarHBondContact O-CB 3.36Å; Q55-K58 PolarHBondContact O-N 3.31Å; K58-A60 VanDerWaalsContact C-N 3.3Å; K58-A60 PolarHBondContact O-N 2.86Å; K58-A61 PolarHBondContact O-N 3.28Å; K58-A61 VanDerWaalsContact O-N 3.16Å; K58-E62 PolarHBondContact O-N 3Å; K58-T98 HydrophobicContact CG-CG2 4.21Å; K58-I102 HydrophobicContact CB-CD1 4.05Å; K58-I102 HydrophobicContact CG-CD1 4.02Å
59D98.6Very high98.2Very high69 Ų6943.5 Ų43.537%0.36922%0.223SC..Hα-helixtrans-62-40.7178.5-61.3-17.8000110.9Y42 Q55 V56 E62 A63Y42-D59 HydrophobicContact CD1-CB 4.33Å; Y42-D59 HydrophobicContact CE1-CB 3.87Å; Q55-D59 PolarHBondContact NE2-OD1 2.92Å; Q55-D59 VanDerWaalsContact O-CG 3.27Å; Q55-D59 PolarHBondContact O-N 3.39Å; V56-D59 PolarHBondContact O-N 3.13Å; D59-E62 PolarHBondContact O-N 3.25Å; D59-A63 WeakPolarHBondContact O-CB 3.36Å; D59-A63 PolarHBondContact O-N 3.02Å
60A98.6Very high98.2Very high0 Ų043.5 Ų43.50%022%0.223CC..Hα-helixtrans-60.7-45.7172.900000111.8M13 Y42 L44 V56 K58 E62 A63 I64M13-A60 HydrophobicContact CG-CB 3.81Å; M13-A60 HydrophobicContact SD-CB 4.01Å; Y42-A60 HydrophobicContact CD1-CB 3.98Å; Y42-A60 HydrophobicContact CD2-CB 4.07Å; Y42-A60 HydrophobicContact CG-CB 3.68Å; L44-A60 HydrophobicContact CD2-CB 4.32Å; V56-A60 WeakPolarHBondContact O-CB 3.4Å; V56-A60 PolarHBondContact O-N 3.35Å; K58-A60 VanDerWaalsContact C-N 3.3Å; K58-A60 PolarHBondContact O-N 2.86Å; A60-E62 PolarHBondContact O-N 2.92Å; A60-A63 WeakPolarHBondContact O-CB 3.32Å; A60-A63 PolarHBondContact O-N 3.03Å; A60-I64 VanDerWaalsContact O-CG1 3.3Å; A60-I64 WeakPolarHBondContact O-CG1 3.29Å; A60-I64 PolarHBondContact O-N 2.84Å
61A97.9Very high98.2Very high0 Ų042.5 Ų42.50%022%0.217CC..Hα-helixtrans-63.3-40.4178.100000112.8T57 K58 I64 K65 I99 I102 L103T57-A61 PolarHBondContact O-N 3.37Å; K58-A61 PolarHBondContact O-N 3.28Å; K58-A61 VanDerWaalsContact O-N 3.16Å; A61-I64 PolarHBondContact O-N 3.45Å; A61-K65 PolarHBondContact O-N 2.82Å; A61-K65 VanDerWaalsContact O-N 3.12Å; A61-I99 HydrophobicContact CB-CB 4.48Å; A61-I99 HydrophobicContact CB-CG1 4.26Å; A61-I99 HydrophobicContact CB-CG2 4.42Å; A61-I102 HydrophobicContact CB-CB 3.81Å; A61-I102 HydrophobicContact CB-CD1 3.79Å; A61-I102 HydrophobicContact CB-CG1 4.41Å; A61-I102 HydrophobicContact CB-CG2 3.62Å; A61-L103 WeakPolarHBondContact O-CD2 3.43Å
62E98.1Very high98.2Very high96 Ų9639.4 Ų39.445%0.44919%0.192SC..Hα-helixtrans-68.6-34.5174.8-69.5-58.6142.200112.2K58 D59 A60 I64 K65 K66 I102K58-E62 PolarHBondContact O-N 3Å; D59-E62 PolarHBondContact O-N 3.25Å; A60-E62 PolarHBondContact O-N 2.92Å; E62-I64 VanDerWaalsContact C-N 3.34Å; E62-K65 PolarHBondContact O-N 3.27Å; E62-K65 IonicContact OE1-NZ 3.58Å; E62-K65 PolarHBondContact OE1-NZ 3.23Å; E62-K65 IonicContact OE2-NZ 3.4Å; E62-K66 PolarHBondContact O-N 2.71Å; E62-I102 WeakPolarHBondContact OE1-CG2 3.49Å
63A98.5Very high98.2Very high8 Ų837.1 Ų37.17%0.06618%0.177CC..Hα-helixtrans-63.8-39.5170.900000111.8V11 Y42 D59 A60 K65 K66 H67V11-A63 HydrophobicContact CG1-CB 4.13Å; V11-A63 HydrophobicContact CG2-CB 3.84Å; Y42-A63 HydrophobicContact CE2-CB 3.61Å; Y42-A63 VanDerWaalsContact OH-CB 3.27Å; Y42-A63 WeakPolarHBondContact OH-CB 3.26Å; D59-A63 WeakPolarHBondContact O-CB 3.36Å; D59-A63 PolarHBondContact O-N 3.02Å; A60-A63 WeakPolarHBondContact O-CB 3.32Å; A60-A63 PolarHBondContact O-N 3.03Å; A63-K65 VanDerWaalsContact C-N 3.33Å; A63-K65 PolarHBondContact O-N 2.95Å; A63-K66 WeakPolarHBondContact O-CB 3.28Å; A63-K66 PolarHBondContact O-N 2.93Å; A63-K66 VanDerWaalsContact O-N 3.15Å; A63-H67 PolarHBondContact O-CD2 3.1Å; A63-H67 VanDerWaalsContact O-CD2 3.31Å; A63-H67 PolarHBondContact O-N 2.8Å
64I98.5Very high98.1Very high0 Ų032.8 Ų32.80%016%0.155CC..Hα-helixtrans-62.2-41.6175.3-65.1163.4000110.4V11 M13 A60 A61 E62 K66 H67 N68 I99 L103 T302 E304V11-I64 HydrophobicContact CB-CG1 3.85Å; V11-I64 HydrophobicContact CG1-CG1 3.83Å; V11-I64 HydrophobicContact CG2-CG1 4.26Å; M13-I64 HydrophobicContact CE-CD1 3.37Å; M13-I64 HydrophobicContact CE-CG1 4.25Å; M13-I64 HydrophobicContact SD-CD1 3.81Å; A60-I64 VanDerWaalsContact O-CG1 3.3Å; A60-I64 WeakPolarHBondContact O-CG1 3.29Å; A60-I64 PolarHBondContact O-N 2.84Å; A61-I64 PolarHBondContact O-N 3.45Å; E62-I64 VanDerWaalsContact C-N 3.34Å; I64-K66 VanDerWaalsContact C-N 3.3Å; I64-K66 PolarHBondContact O-N 2.83Å; I64-H67 PolarHBondContact O-N 3.15Å; I64-N68 WeakPolarHBondContact O-CA 3.41Å; I64-N68 PolarHBondContact O-N 3.4Å; I64-I99 HydrophobicContact CD1-CG2 4.24Å; I64-L103 HydrophobicContact CB-CD1 4.3Å; I64-L103 HydrophobicContact CB-CD2 4.12Å; I64-L103 HydrophobicContact CD1-CD1 4.1Å; I64-L103 HydrophobicContact CG2-CD1 3.77Å; I64-L103 HydrophobicContact CG2-CD2 3.98Å; I64-T302 HydrophobicContact CG2-CG2 3.62Å; I64-E304 HydrophobicContact CD1-CB 4.48Å; I64-E304 HydrophobicContact CD1-CG 4.06Å
65K96.9Very high98Very high83 Ų8333 Ų3336%0.36116%0.157SC..Hα-helixtrans-59.8-41.4173.4-69.5179.7178.1161.60112.3A61 E62 A63 I102 L103A61-K65 PolarHBondContact O-N 2.82Å; A61-K65 VanDerWaalsContact O-N 3.12Å; E62-K65 PolarHBondContact O-N 3.27Å; E62-K65 IonicContact OE1-NZ 3.58Å; E62-K65 PolarHBondContact OE1-NZ 3.23Å; E62-K65 IonicContact OE2-NZ 3.4Å; A63-K65 VanDerWaalsContact C-N 3.33Å; A63-K65 PolarHBondContact O-N 2.95Å; K65-I102 WeakPolarHBondContact CE-O 3.19Å; K65-I102 VanDerWaalsContact NZ-CG2 3.3Å; K65-I102 PolarHBondContact NZ-O 2.77Å; K65-L103 HydrophobicContact CD-CD2 4.49Å; K65-L103 HydrophobicContact CG-CD2 3.54Å
66K97.8Very high97.9Very high157 Ų15729.5 Ų29.568%0.68314%0.14SC*.Hα-helixtrans-67.3-44.7-179.8-178.7-176.6172.1-164.30112E62 A63 I64E62-K66 PolarHBondContact O-N 2.71Å; A63-K66 WeakPolarHBondContact O-CB 3.28Å; A63-K66 PolarHBondContact O-N 2.93Å; A63-K66 VanDerWaalsContact O-N 3.15Å; I64-K66 VanDerWaalsContact C-N 3.3Å; I64-K66 PolarHBondContact O-N 2.83Å
67H98.2Very high97.7Very high26 Ų2632.5 Ų32.512%0.1216%0.159CC..Hα-helixtrans-96.2-11.8-173.5-67.4-78.6000113S9 V11 H40 A63 I64 V69 R343S9-H67 WeakPolarHBondContact CB-ND1 3.2Å; V11-H67 HydrophobicContact CG2-CB 3.94Å; H40-H67 AromaticContact CD2-CE1 3.96Å; H40-H67 AromaticContact CE1-CE1 3.46Å; H40-H67 PolarHBondContact CE1-CE1 2.81Å; H40-H67 VanDerWaalsContact CE1-CE1 3.46Å; H40-H67 AromaticContact CE1-NE2 3.56Å; H40-H67 AromaticContact ND1-NE2 3.69Å; H40-H67 AromaticContact NE2-CE1 3.4Å; H40-H67 PolarHBondContact NE2-CE1 3.41Å; H40-H67 AromaticContact NE2-ND1 3.83Å; H40-H67 AromaticContact NE2-NE2 3.82Å; A63-H67 PolarHBondContact O-CD2 3.1Å; A63-H67 VanDerWaalsContact O-CD2 3.31Å; A63-H67 PolarHBondContact O-N 2.8Å; I64-H67 PolarHBondContact O-N 3.15Å; H67-V69 PolarHBondContact O-N 2.99Å; H67-R343 PolarHBondContact O-NH2 3.38Å
68N98.2Very high97.5Very high43 Ų4332.8 Ų32.823%0.2316%0.161CC..SBendtrans69.4-5.5179.1-51-92.3000116.4I64 K301 T302 V303 L346I64-N68 WeakPolarHBondContact O-CA 3.41Å; I64-N68 PolarHBondContact O-N 3.4Å; N68-K301 WeakPolarHBondContact CB-O 3.43Å; N68-T302 CarbonylContact O-C 3.54Å; N68-T302 VanDerWaalsContact O-CA 3.3Å; N68-T302 WeakPolarHBondContact O-CA 3.42Å; N68-T302 PolarHBondContact OD1-OG1 3.48Å; N68-V303 PolarHBondContact O-N 2.91Å; N68-L346 HydrophobicContact CB-CD1 3.78Å
69V98.6Very high97.3Very high0 Ų031.7 Ų31.70%016%0.16CC..EExtended strand (participates in β ladder)trans-135.6116-178.1-179.50000109.9V10 V11 H67 G339 R343 L346V10-V69 HydrophobicContact CG1-CG1 4.23Å; V10-V69 HydrophobicContact CG2-CG1 4.13Å; V11-V69 PolarHBondContact N-O 3.12Å; H67-V69 PolarHBondContact O-N 2.99Å; V69-G339 WeakPolarHBondContact CG1-O 3.19Å; V69-R343 HydrophobicContact CG1-CB 4.47Å; V69-R343 HydrophobicContact CG2-CB 4.02Å; V69-L346 HydrophobicContact CG2-CD1 3.96Å
70G98.6Very high97.1Very high0 Ų035.1 Ų35.10%017%0.173CC..EExtended strand (participates in β ladder)trans-112.8140.5170.300000112.3V11 V303 E304 A305V11-G70 CarbonylContact O-C 3.58Å; V11-G70 WeakPolarHBondContact O-CA 3.5Å; G70-V303 PolarHBondContact N-O 3.3Å; G70-E304 WeakPolarHBondContact O-CA 3.35Å; G70-A305 PolarHBondContact O-N 2.63Å
71V98.5Very high97Very high0 Ų042.9 Ų42.90%021%0.207CC..EExtended strand (participates in β ladder)trans-125.4128.3167.8-65.20000109.2V10 V11 E12 M13 W23 A305 W336V10-V71 HydrophobicContact CG1-CG1 4.15Å; V10-V71 HydrophobicContact CG1-CG2 3.65Å; V11-V71 PolarHBondContact O-N 2.87Å; E12-V71 HydrophobicContact CB-CG2 4.34Å; M13-V71 PolarHBondContact N-O 3.39Å; W23-V71 HydrophobicContact CH2-CB 4.22Å; W23-V71 HydrophobicContact CZ2-CB 4.07Å; W23-V71 HydrophobicContact CZ2-CG2 4.03Å; V71-A305 CarbonylContact C-O 3.51Å; V71-A305 WeakPolarHBondContact CA-O 3.34Å; V71-W336 HydrophobicContact CB-CD2 4.46Å; V71-W336 HydrophobicContact CB-CE3 4.42Å; V71-W336 HydrophobicContact CG1-CE3 4.29Å; V71-W336 HydrophobicContact CG2-CD2 4.1Å; V71-W336 HydrophobicContact CG2-CE3 3.85Å; V71-W336 HydrophobicContact CG2-CH2 3.73Å; V71-W336 HydrophobicContact CG2-CZ2 3.96Å; V71-W336 HydrophobicContact CG2-CZ3 3.68Å
72K98.1Very high96.9Very high0 Ų044.3 Ų44.30%021%0.213CC..EExtended strand (participates in β ladder)trans-125.3126.2-169-174.1175.2178.9-64.80113.2M13 W23 T75 N96 I99 E304 A305 E306 A307M13-K72 HydrophobicContact CB-CB 4.25Å; M13-K72 HydrophobicContact CB-CG 3.96Å; M13-K72 HydrophobicContact CE-CB 3.64Å; M13-K72 HydrophobicContact CE-CD 4.43Å; M13-K72 HydrophobicContact CE-CG 4.19Å; M13-K72 HydrophobicContact SD-CB 4.35Å; M13-K72 HydrophobicContact SD-CD 4.19Å; M13-K72 HydrophobicContact SD-CG 4.25Å; W23-K72 VanDerWaalsContact CH2-C 3.46Å; K72-T75 PolarHBondContact NZ-OG1 2.89Å; K72-N96 WeakPolarHBondContact CE-OD1 3.46Å; K72-N96 PolarHBondContact NZ-OD1 2.64Å; K72-I99 HydrophobicContact CD-CD1 3.72Å; K72-E304 WeakPolarHBondContact CB-OE1 3.28Å; K72-A305 PolarHBondContact N-O 2.71Å; K72-E306 HydrophobicContact CB-CB 3.93Å; K72-E306 HydrophobicContact CG-CB 4.49Å; K72-E306 WeakPolarHBondContact O-CA 3.21Å; K72-A307 PolarHBondContact O-N 3.16Å
73C97.5Very high96.9Very high0 Ų041.4 Ų41.40%020%0.201CC..  trans-74.2152165.9-176.10000111.2M13 T19 W23M13-C73 WeakPolarHBondContact O-CB 3.47Å; M13-C73 PolarHBondContact O-N 3.49Å; T19-C73 VanDerWaalsContact C-SG 3.59Å; W23-C73 HydrophobicContact CB-CB 4.36Å; W23-C73 HydrophobicContact CD2-CB 3.61Å; W23-C73 HydrophobicContact CE3-CB 3.86Å; W23-C73 HydrophobicContact CG-CB 3.84Å; W23-C73 HydrophobicContact CZ2-CB 4.45Å; W23-C73 HydrophobicContact CZ3-CB 4.4Å
74A95.8Very high96.8Very high5 Ų548.5 Ų48.54%0.04123%0.233CC..  trans-62.1141.6173.100000111.3G15 D16 T19 H309 T311G15-A74 VanDerWaalsContact CA-O 3.31Å; G15-A74 WeakPolarHBondContact CA-O 2.97Å; D16-A74 PolarHBondContact N-O 3.09Å; T19-A74 HydrophobicContact CG2-CB 3.96Å; T19-A74 PolarHBondContact OG1-O 2.77Å; A74-H309 WeakPolarHBondContact CB-O 3.24Å; A74-T311 HydrophobicContact CB-CG2 4.07Å
75T96.4Very high96.7Very high16 Ų1653 Ų5310%0.09825%0.254CS..  trans-130.6148.8-173.448.60000110.7D16 L44 K72 T77 P95D16-T75 VanDerWaalsContact OD2-CA 3.29Å; D16-T75 WeakPolarHBondContact OD2-CA 3.39Å; L44-T75 HydrophobicContact CB-CG2 3.71Å; L44-T75 WeakPolarHBondContact O-CG2 3.46Å; K72-T75 PolarHBondContact NZ-OG1 2.89Å; T75-T77 PolarHBondContact O-N 3.34Å; T75-P95 HydrophobicContact CG2-CG 4.38Å; T75-P95 WeakPolarHBondContact OG1-CG 3.36Å
76I95.6Very high96.7Very high8 Ų851.7 Ų51.74%0.04125%0.248CC..  trans-68.4128.3175.2-67.5169.1000109.3D16 E17 I46 R49 P78 R82 F86 T311D16-I76 HydrophobicContact CB-CD1 3.86Å; D16-I76 HydrophobicContact CB-CG1 3.71Å; D16-I76 PolarHBondContact OD2-N 2.9Å; E17-I76 HydrophobicContact CG-CD1 3.97Å; E17-I76 HydrophobicContact CG-CG1 4.5Å; I46-I76 HydrophobicContact CB-CB 4.32Å; I46-I76 HydrophobicContact CG1-CG2 4.5Å; I46-I76 HydrophobicContact CG2-CD1 4.07Å; R49-I76 PolarHBondContact NH1-O 3.21Å; I76-P78 HydrophobicContact CG2-CB 4.38Å; I76-R82 HydrophobicContact CG2-CG 4.37Å; I76-F86 HydrophobicContact CD1-CE2 3.77Å; I76-F86 HydrophobicContact CD1-CZ 3.71Å; I76-T311 HydrophobicContact CG1-CG2 4.09Å
77T93.9Very high96.7Very high75 Ų7553.2 Ų53.246%0.4626%0.255SS..  trans-99.2110155.8-56.10000106.2T75 S94T75-T77 PolarHBondContact O-N 3.34Å; T77-S94 WeakPolarHBondContact OG1-CB 3.46Å; T77-S94 PolarHBondContact OG1-OG 2.97Å
78P95Very high96.7Very high6 Ų652.7 Ų52.74%0.03925%0.253CS..  trans-71.5136.9-170.229.3-36.3000111.8I46 I76 R82 V83 L88 M91 W92I46-P78 HydrophobicContact CD1-CG 4.08Å; I76-P78 HydrophobicContact CG2-CB 4.38Å; P78-R82 HydrophobicContact CB-CB 3.73Å; P78-V83 HydrophobicContact CB-CG2 4.27Å; P78-L88 HydrophobicContact CB-CD1 3.6Å; P78-L88 HydrophobicContact CG-CD1 3.84Å; P78-M91 HydrophobicContact CG-CG 4.37Å; P78-M91 VanDerWaalsContact O-CG 3.24Å; P78-M91 WeakPolarHBondContact O-CG 3.46Å; P78-W92 WeakPolarHBondContact CD-O 3.34Å; P78-W92 HydrophobicContact CG-CB 4.22Å
79D93.8Very high96.7Very high74 Ų7456.5 Ų56.540%0.39627%0.268SS..  trans-93-177.4160.265.813.9000109.9K81 R82 V83D79-K81 PolarHBondContact O-N 3.48Å; D79-K81 WeakPolarHBondContact OD1-CA 3.44Å; D79-K81 WeakPolarHBondContact OD1-CB 3.28Å; D79-K81 PolarHBondContact OD1-N 2.64Å; D79-R82 PolarHBondContact O-N 3.23Å; D79-R82 VanDerWaalsContact O-N 3.11Å; D79-R82 WeakPolarHBondContact OD1-CG 3.48Å; D79-R82 PolarHBondContact OD1-N 2.9Å; D79-V83 WeakPolarHBondContact O-CG2 3.39Å; D79-V83 PolarHBondContact O-N 3.46Å
80E95.4Very high96.5Very high141 Ų14161.7 Ų61.766%0.65929%0.292SS*.Hα-helixtrans-56-37.9179.4-65.181.2179.200112.3V83 E84 M91E80-V83 PolarHBondContact O-N 3.23Å; E80-E84 PolarHBondContact O-N 3.45Å; E80-E84 VanDerWaalsContact O-N 3.17Å; E80-M91 HydrophobicContact CB-CE 4.37Å; E80-M91 HydrophobicContact CG-CE 3.69Å
81K96.1Very high96.4Very high162 Ų16266 Ų6670%0.70431%0.313SS*.Hα-helixtrans-69.5-38.5179.6-65.5178.3-179.6172.70111.3D79 E84 E85D79-K81 PolarHBondContact O-N 3.48Å; D79-K81 WeakPolarHBondContact OD1-CA 3.44Å; D79-K81 WeakPolarHBondContact OD1-CB 3.28Å; D79-K81 PolarHBondContact OD1-N 2.64Å; K81-E84 PolarHBondContact O-N 2.94Å; K81-E85 WeakPolarHBondContact O-CB 3.18Å; K81-E85 PolarHBondContact O-N 3.42Å
82R95.8Very high96.2Very high31 Ų3167.2 Ų67.212%0.11732%0.318CS..Hα-helixtrans-70.1-35.1175.7-63.1-43.1-169132.423.2112E17 I76 P78 D79 E84 E85 F86 T313E17-R82 IonicContact OE1-CZ 3.42Å; E17-R82 IonicContact OE1-NH1 2.98Å; E17-R82 PolarHBondContact OE1-NH1 3.19Å; E17-R82 VanDerWaalsContact OE1-NH1 3.1Å; E17-R82 IonicContact OE1-NH2 2.88Å; E17-R82 PolarHBondContact OE1-NH2 2.9Å; E17-R82 IonicContact OE2-NH2 3.81Å; I76-R82 HydrophobicContact CG2-CG 4.37Å; P78-R82 HydrophobicContact CB-CB 3.73Å; D79-R82 PolarHBondContact O-N 3.23Å; D79-R82 VanDerWaalsContact O-N 3.11Å; D79-R82 WeakPolarHBondContact OD1-CG 3.48Å; D79-R82 PolarHBondContact OD1-N 2.9Å; R82-E84 VanDerWaalsContact C-N 3.29Å; R82-E84 PolarHBondContact O-N 3.46Å; R82-E85 WeakPolarHBondContact CD-OE2 3.46Å; R82-E85 IonicContact CZ-OE2 3.46Å; R82-E85 IonicContact NE-OE2 3.5Å; R82-E85 PolarHBondContact NE-OE2 2.96Å; R82-E85 IonicContact NH1-OE1 3.28Å; R82-E85 PolarHBondContact NH1-OE1 3.42Å; R82-E85 IonicContact NH1-OE2 2.86Å; R82-E85 PolarHBondContact NH1-OE2 2.97Å; R82-E85 PolarHBondContact O-N 3.03Å; R82-F86 HydrophobicContact CB-CD2 4.34Å; R82-F86 WeakPolarHBondContact O-CD2 3.47Å; R82-F86 PolarHBondContact O-N 2.75Å; R82-T313 PolarHBondContact NH2-OG1 3.19Å
83V97.1Very high95.8Very high34 Ų3475.1 Ų75.121%0.20635%0.352CS..Hα-helixtrans-57.8-45.2172.2171.70000110.5P78 D79 E80 K87 L88 M91P78-V83 HydrophobicContact CB-CG2 4.27Å; D79-V83 WeakPolarHBondContact O-CG2 3.39Å; D79-V83 PolarHBondContact O-N 3.46Å; E80-V83 PolarHBondContact O-N 3.23Å; V83-K87 CarbonylContact O-C 3.59Å; V83-K87 VanDerWaalsContact O-CA 3.29Å; V83-K87 WeakPolarHBondContact O-CA 3.38Å; V83-K87 PolarHBondContact O-N 2.9Å; V83-L88 HydrophobicContact CG1-CB 4.29Å; V83-L88 HydrophobicContact CG2-CD1 4.21Å; V83-L88 PolarHBondContact O-N 3.44Å; V83-M91 HydrophobicContact CG2-CB 3.83Å; V83-M91 HydrophobicContact CG2-CE 4.46Å; V83-M91 HydrophobicContact CG2-CG 4.09Å
84E97.4Very high95.6Very high158 Ų15877 Ų7774%0.73837%0.365SS*.Hα-helixtrans-67.6-48.4175.9-171.7-179.4-177.600112.5E80 K81 R82 F86 K87E80-E84 PolarHBondContact O-N 3.45Å; E80-E84 VanDerWaalsContact O-N 3.17Å; K81-E84 PolarHBondContact O-N 2.94Å; R82-E84 VanDerWaalsContact C-N 3.29Å; R82-E84 PolarHBondContact O-N 3.46Å; E84-F86 PolarHBondContact O-N 2.86Å; E84-K87 PolarHBondContact O-N 2.98Å
85E96.8Very high95.5Very high95 Ų9576.8 Ų76.844%0.44436%0.363SS..Hα-helixtrans-56.6-46.2-178.1-177.9176.6-165.700112.2K81 R82 R317K81-E85 WeakPolarHBondContact O-CB 3.18Å; K81-E85 PolarHBondContact O-N 3.42Å; R82-E85 WeakPolarHBondContact CD-OE2 3.46Å; R82-E85 IonicContact CZ-OE2 3.46Å; R82-E85 IonicContact NE-OE2 3.5Å; R82-E85 PolarHBondContact NE-OE2 2.96Å; R82-E85 IonicContact NH1-OE1 3.28Å; R82-E85 PolarHBondContact NH1-OE1 3.42Å; R82-E85 IonicContact NH1-OE2 2.86Å; R82-E85 PolarHBondContact NH1-OE2 2.97Å; R82-E85 PolarHBondContact O-N 3.03Å; E85-R317 IonicContact OE1-NH2 3.32Å; E85-R317 PolarHBondContact OE1-NH2 2.89Å; E85-R317 IonicContact OE2-NH2 3.68Å
86F96.9Very high95.2Very high55 Ų5577.5 Ų77.524%0.24137%0.366CS..THydrogen-bonded Turntrans-951.4-178.5-67.7-83.8000113.5I46 E47 I76 R82 E84 L88I46-F86 HydrophobicContact CG2-CD1 3.64Å; I46-F86 HydrophobicContact CG2-CD2 4.15Å; I46-F86 HydrophobicContact CG2-CE1 3.66Å; I46-F86 HydrophobicContact CG2-CE2 4.17Å; I46-F86 HydrophobicContact CG2-CG 3.9Å; I46-F86 HydrophobicContact CG2-CZ 3.94Å; E47-F86 HydrophobicContact CG-CD1 4.19Å; I76-F86 HydrophobicContact CD1-CE2 3.77Å; I76-F86 HydrophobicContact CD1-CZ 3.71Å; R82-F86 HydrophobicContact CB-CD2 4.34Å; R82-F86 WeakPolarHBondContact O-CD2 3.47Å; R82-F86 PolarHBondContact O-N 2.75Å; E84-F86 PolarHBondContact O-N 2.86Å; F86-L88 VanDerWaalsContact C-N 3.27Å; F86-L88 HydrophobicContact CB-CD1 4.43Å; F86-L88 HydrophobicContact CB-CD2 3.45Å; F86-L88 VanDerWaalsContact CB-CD2 3.45Å; F86-L88 HydrophobicContact CB-CG 3.77Å; F86-L88 PolarHBondContact O-N 3.36Å
87K97.6Very high94.9Very high188 Ų18878.4 Ų78.482%0.81738%0.378SS*.THydrogen-bonded Turntrans51.645.2-177-55.6176.9-177.2177.10112.6V83 E84V83-K87 CarbonylContact O-C 3.59Å; V83-K87 VanDerWaalsContact O-CA 3.29Å; V83-K87 WeakPolarHBondContact O-CA 3.38Å; V83-K87 PolarHBondContact O-N 2.9Å; E84-K87 PolarHBondContact O-N 2.98Å
88L97.8Very high94.8Very high16 Ų1675.9 Ų75.98%0.08436%0.362CS..  trans-68.5147.1-174.9-53.2179.7000111I46 D50 P78 V83 F86 Q90I46-L88 HydrophobicContact CD1-CD1 4Å; I46-L88 HydrophobicContact CG1-CD1 3.82Å; I46-L88 HydrophobicContact CG1-CD2 3.86Å; D50-L88 HydrophobicContact CB-CD2 3.95Å; P78-L88 HydrophobicContact CB-CD1 3.6Å; P78-L88 HydrophobicContact CG-CD1 3.84Å; V83-L88 HydrophobicContact CG1-CB 4.29Å; V83-L88 HydrophobicContact CG2-CD1 4.21Å; V83-L88 PolarHBondContact O-N 3.44Å; F86-L88 VanDerWaalsContact C-N 3.27Å; F86-L88 HydrophobicContact CB-CD1 4.43Å; F86-L88 HydrophobicContact CB-CD2 3.45Å; F86-L88 VanDerWaalsContact CB-CD2 3.45Å; F86-L88 HydrophobicContact CB-CG 3.77Å; F86-L88 PolarHBondContact O-N 3.36Å; L88-Q90 WeakPolarHBondContact CB-O 3.45Å; L88-Q90 PolarHBondContact O-N 2.99Å
89K97.7Very high94.8Very high123 Ų12375.6 Ų75.654%0.53536%0.361SS..SBendtrans-60.7-34.3174.9-65163.1-174.11690111.9D50 N53 W92D50-K89 PolarHBondContact O-NZ 3.17Å; D50-K89 WeakPolarHBondContact OD1-CB 2.99Å; D50-K89 PolarHBondContact OD1-N 3.3Å; D50-K89 WeakPolarHBondContact OD2-CD 3.27Å; D50-K89 VanDerWaalsContact OD2-CE 3.31Å; D50-K89 WeakPolarHBondContact OD2-CE 3.36Å; D50-K89 WeakPolarHBondContact OD2-CG 2.96Å; D50-K89 IonicContact OD2-NZ 3.91Å; N53-K89 PolarHBondContact OD1-NZ 3.42Å; K89-W92 HydrophobicContact CB-CZ2 4.49Å; K89-W92 HydrophobicContact CD-CZ2 4.43Å
90Q95.4Very high94.7Very high108 Ų10873 Ų7351%0.50535%0.345SS..SBendtrans-159.9170.1177.762.7-174.7-33.900111L88 W92L88-Q90 WeakPolarHBondContact CB-O 3.45Å; L88-Q90 PolarHBondContact O-N 2.99Å; Q90-W92 HydrophobicContact CG-CD2 3.97Å; Q90-W92 HydrophobicContact CG-CE3 4.15Å; Q90-W92 HydrophobicContact CG-CH2 4.11Å; Q90-W92 HydrophobicContact CG-CZ2 3.92Å; Q90-W92 HydrophobicContact CG-CZ3 4.24Å; Q90-W92 PolarHBondContact O-N 3.5Å
91M95.1Very high94.3Very high92 Ų9269.9 Ų69.945%0.45333%0.333SS..  trans-74.394.6171-167.2-177.5-67.200110.1P78 E80 V83P78-M91 HydrophobicContact CG-CG 4.37Å; P78-M91 VanDerWaalsContact O-CG 3.24Å; P78-M91 WeakPolarHBondContact O-CG 3.46Å; E80-M91 HydrophobicContact CB-CE 4.37Å; E80-M91 HydrophobicContact CG-CE 3.69Å; V83-M91 HydrophobicContact CG2-CB 3.83Å; V83-M91 HydrophobicContact CG2-CE 4.46Å; V83-M91 HydrophobicContact CG2-CG 4.09Å
92W94.6Very high94.1Very high24 Ų2464.1 Ų64.19%0.09131%0.31CS..PPolyproline II helixtrans-65.2145.3-179.4-64.4106.8000112.7D50 N53 D54 P78 K89 Q90D50-W92 PolarHBondContact OD1-NE1 3.33Å; N53-W92 HydrophobicContact CB-CH2 3.79Å; D54-W92 HydrophobicContact CB-CD2 4.37Å; D54-W92 HydrophobicContact CB-CE3 3.67Å; D54-W92 HydrophobicContact CB-CZ3 3.83Å; P78-W92 WeakPolarHBondContact CD-O 3.34Å; P78-W92 HydrophobicContact CG-CB 4.22Å; K89-W92 HydrophobicContact CB-CZ2 4.49Å; K89-W92 HydrophobicContact CD-CZ2 4.43Å; Q90-W92 HydrophobicContact CG-CD2 3.97Å; Q90-W92 HydrophobicContact CG-CE3 4.15Å; Q90-W92 HydrophobicContact CG-CH2 4.11Å; Q90-W92 HydrophobicContact CG-CZ2 3.92Å; Q90-W92 HydrophobicContact CG-CZ3 4.24Å; Q90-W92 PolarHBondContact O-N 3.5Å
93K91.2Very high94Very high167 Ų16763.5 Ų63.573%0.72631%0.308SS*.PPolyproline II helixtrans-66.3165175.7-64.2-175.6-179.3-177.90111.3R49R49-K93 PolarHBondContact NH2-O 3.05Å
94S91.6Very high93.6Very high39 Ų3963 Ų6327%0.27331%0.31SS..PPolyproline II helixtrans-64.6129174.8-179.10000111.8T77 N96 G97 T98T77-S94 WeakPolarHBondContact OG1-CB 3.46Å; T77-S94 PolarHBondContact OG1-OG 2.97Å; S94-N96 VanDerWaalsContact C-N 3.27Å; S94-N96 PolarHBondContact O-N 2.94Å; S94-N96 PolarHBondContact OG-N 2.72Å; S94-G97 PolarHBondContact O-N 3.43Å; S94-G97 VanDerWaalsContact O-N 3.14Å; S94-T98 PolarHBondContact O-N 2.85Å; S94-T98 PolarHBondContact O-OG1 3.37Å
95P94.1Very high93.3Very high0 Ų056.2 Ų56.20%028%0.283CS..Hα-helixtrans-56.1-41172.4-3038.5000113.2L44 R49 T57 T75 G97 T98 I99L44-P95 HydrophobicContact CD1-CB 4.41Å; R49-P95 VanDerWaalsContact NH1-CG 3.26Å; T57-P95 HydrophobicContact CG2-CB 4.05Å; T75-P95 HydrophobicContact CG2-CG 4.38Å; T75-P95 WeakPolarHBondContact OG1-CG 3.36Å; P95-G97 VanDerWaalsContact C-N 3.28Å; P95-G97 PolarHBondContact O-N 3.47Å; P95-T98 PolarHBondContact O-N 2.98Å; P95-T98 VanDerWaalsContact O-N 3.13Å; P95-I99 WeakPolarHBondContact O-CB 3.45Å; P95-I99 WeakPolarHBondContact O-CG1 3.28Å; P95-I99 PolarHBondContact O-N 2.81Å
96N90.9Very high93.2Very high31 Ų3151.7 Ų51.717%0.16626%0.261CS..Hα-helixtrans-59.2-45178.2-67.64.7000110.1K72 S94 R100 E306K72-N96 WeakPolarHBondContact CE-OD1 3.46Å; K72-N96 PolarHBondContact NZ-OD1 2.64Å; S94-N96 VanDerWaalsContact C-N 3.27Å; S94-N96 PolarHBondContact O-N 2.94Å; S94-N96 PolarHBondContact OG-N 2.72Å; N96-R100 WeakPolarHBondContact O-CB 3.43Å; N96-R100 VanDerWaalsContact O-CD 3.3Å; N96-R100 WeakPolarHBondContact O-CD 3.3Å; N96-R100 WeakPolarHBondContact O-CG 3.36Å; N96-R100 PolarHBondContact O-N 2.63Å; N96-E306 PolarHBondContact ND2-OE2 2.76Å; N96-E306 PolarHBondContact OD1-OE2 2.75Å
97G88.4Confident93.2Very high28 Ų2849.1 Ų49.129%0.28925%0.25SS..Hα-helixtrans-59.2-47.3174.400000112.1S94 P95 N101S94-G97 PolarHBondContact O-N 3.43Å; S94-G97 VanDerWaalsContact O-N 3.14Å; P95-G97 VanDerWaalsContact C-N 3.28Å; P95-G97 PolarHBondContact O-N 3.47Å; G97-N101 VanDerWaalsContact O-CB 3.26Å; G97-N101 WeakPolarHBondContact O-CB 3.5Å; G97-N101 PolarHBondContact O-N 3.09Å; G97-N101 PolarHBondContact O-ND2 2.77Å
98T92Very high93.2Very high21 Ų2140.5 Ų40.513%0.12921%0.213CC..Hα-helixtrans-62.1-49.5178.7-60.90000112.3T57 K58 S94 P95 N101 I102T57-T98 HydrophobicContact CG2-CG2 3.72Å; K58-T98 HydrophobicContact CG-CG2 4.21Å; S94-T98 PolarHBondContact O-N 2.85Å; S94-T98 PolarHBondContact O-OG1 3.37Å; P95-T98 PolarHBondContact O-N 2.98Å; P95-T98 VanDerWaalsContact O-N 3.13Å; T98-N101 PolarHBondContact O-N 2.86Å; T98-I102 HydrophobicContact CG2-CD1 4Å; T98-I102 WeakPolarHBondContact O-CG1 3.45Å; T98-I102 PolarHBondContact O-N 2.9Å; T98-I102 VanDerWaalsContact O-N 3.12Å
99I94.7Very high93.1Very high0 Ų040.6 Ų40.60%021%0.212CC..Hα-helixtrans-62.1-50180-67.7160.4000110.3M13 L44 T57 A61 I64 K72 P95 N101 I102 L103 E304M13-I99 HydrophobicContact SD-CD1 3.52Å; M13-I99 VanDerWaalsContact SD-CD1 3.52Å; M13-I99 HydrophobicContact SD-CG1 4.45Å; L44-I99 HydrophobicContact CD1-CD1 3.93Å; T57-I99 HydrophobicContact CG2-CD1 4.31Å; T57-I99 HydrophobicContact CG2-CG1 3.96Å; A61-I99 HydrophobicContact CB-CB 4.48Å; A61-I99 HydrophobicContact CB-CG1 4.26Å; A61-I99 HydrophobicContact CB-CG2 4.42Å; I64-I99 HydrophobicContact CD1-CG2 4.24Å; K72-I99 HydrophobicContact CD-CD1 3.72Å; P95-I99 WeakPolarHBondContact O-CB 3.45Å; P95-I99 WeakPolarHBondContact O-CG1 3.28Å; P95-I99 PolarHBondContact O-N 2.81Å; I99-N101 VanDerWaalsContact C-N 3.27Å; I99-N101 PolarHBondContact O-N 3.17Å; I99-I102 PolarHBondContact O-N 2.9Å; I99-L103 HydrophobicContact CG2-CD1 3.57Å; I99-L103 HydrophobicContact CG2-CG 4.08Å; I99-L103 WeakPolarHBondContact O-CB 2.89Å; I99-L103 WeakPolarHBondContact O-CG 3.22Å; I99-L103 PolarHBondContact O-N 2.56Å; I99-E304 HydrophobicContact CG2-CG 4.35Å
100R91.5Very high93Very high20 Ų2036.1 Ų36.18%0.07519%0.193CC..Hα-helixtrans-61.8-33.8178.3-67.2167.6-173.9178.6-1.6112.4N96 I102 G104 L295 E306N96-R100 WeakPolarHBondContact O-CB 3.43Å; N96-R100 VanDerWaalsContact O-CD 3.3Å; N96-R100 WeakPolarHBondContact O-CD 3.3Å; N96-R100 WeakPolarHBondContact O-CG 3.36Å; N96-R100 PolarHBondContact O-N 2.63Å; R100-I102 VanDerWaalsContact C-N 3.34Å; R100-G104 VanDerWaalsContact O-CA 3.23Å; R100-G104 WeakPolarHBondContact O-CA 3.35Å; R100-G104 PolarHBondContact O-N 3.22Å; R100-L295 HydrophobicContact CG-CD1 4.3Å; R100-L295 HydrophobicContact CG-CD2 4.06Å; R100-E306 IonicContact CZ-OE1 2.75Å; R100-E306 IonicContact NE-OE1 2.99Å; R100-E306 IonicContact NH2-OE1 3.51Å; R100-E306 PolarHBondContact NH2-OE1 2.98Å
101N87.7Confident93Very high75 Ų7531.4 Ų31.440%0.40117%0.172SC..Hα-helixtrans-67.9-34175.1-77.4-35.5000112.8G97 T98 I99G97-N101 VanDerWaalsContact O-CB 3.26Å; G97-N101 WeakPolarHBondContact O-CB 3.5Å; G97-N101 PolarHBondContact O-N 3.09Å; G97-N101 PolarHBondContact O-ND2 2.77Å; T98-N101 PolarHBondContact O-N 2.86Å; I99-N101 VanDerWaalsContact C-N 3.27Å; I99-N101 PolarHBondContact O-N 3.17Å
102I92.5Very high92.9Very high42 Ų4227.5 Ų27.522%0.21515%0.153CC..Hα-helixtrans-80.9-43.2-178.9-70169.8000110.8K58 A61 E62 K65 T98 I99 R100K58-I102 HydrophobicContact CB-CD1 4.05Å; K58-I102 HydrophobicContact CG-CD1 4.02Å; A61-I102 HydrophobicContact CB-CB 3.81Å; A61-I102 HydrophobicContact CB-CD1 3.79Å; A61-I102 HydrophobicContact CB-CG1 4.41Å; A61-I102 HydrophobicContact CB-CG2 3.62Å; E62-I102 WeakPolarHBondContact OE1-CG2 3.49Å; K65-I102 WeakPolarHBondContact CE-O 3.19Å; K65-I102 VanDerWaalsContact NZ-CG2 3.3Å; K65-I102 PolarHBondContact NZ-O 2.77Å; T98-I102 HydrophobicContact CG2-CD1 4Å; T98-I102 WeakPolarHBondContact O-CG1 3.45Å; T98-I102 PolarHBondContact O-N 2.9Å; T98-I102 VanDerWaalsContact O-N 3.12Å; I99-I102 PolarHBondContact O-N 2.9Å; R100-I102 VanDerWaalsContact C-N 3.34Å
103L92.9Very high92.9Very high17 Ų1728.5 Ų28.59%0.08916%0.16CC..Hα-helixtrans-76.2-38.9179.9-66.1-173.9000112.4A61 I64 K65 I99 L295 T302 E304A61-L103 WeakPolarHBondContact O-CD2 3.43Å; I64-L103 HydrophobicContact CB-CD1 4.3Å; I64-L103 HydrophobicContact CB-CD2 4.12Å; I64-L103 HydrophobicContact CD1-CD1 4.1Å; I64-L103 HydrophobicContact CG2-CD1 3.77Å; I64-L103 HydrophobicContact CG2-CD2 3.98Å; K65-L103 HydrophobicContact CD-CD2 4.49Å; K65-L103 HydrophobicContact CG-CD2 3.54Å; I99-L103 HydrophobicContact CG2-CD1 3.57Å; I99-L103 HydrophobicContact CG2-CG 4.08Å; I99-L103 WeakPolarHBondContact O-CB 2.89Å; I99-L103 WeakPolarHBondContact O-CG 3.22Å; I99-L103 PolarHBondContact O-N 2.56Å; L103-L295 HydrophobicContact CB-CD2 3.88Å; L103-L295 HydrophobicContact CD1-CD2 3.77Å; L103-L295 HydrophobicContact CG-CD2 4.44Å; L103-T302 HydrophobicContact CD2-CG2 4.32Å; L103-E304 HydrophobicContact CD1-CB 4Å
104G88.7Confident93Very high24 Ų2420.8 Ų20.825%0.24713%0.127CC..  trans67.3-176.4-165.200000112R100R100-G104 VanDerWaalsContact O-CA 3.23Å; R100-G104 WeakPolarHBondContact O-CA 3.35Å; R100-G104 PolarHBondContact O-N 3.22Å
105G91Very high93.1Very high15 Ų1527.2 Ų27.216%0.15515%0.15CC..  trans106.7-166.7174.100000115.1V296G105-V296 CarbonylContact C-O 3.58Å; G105-V296 WeakPolarHBondContact CA-O 3.33Å
106T96.1Very high93.1Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-116.5130.1-172.1-53.20000110.1F108 F192 S195 L295 V296T106-F108 HydrophobicContact CG2-CD1 4.43Å; T106-F108 HydrophobicContact CG2-CD2 4.26Å; T106-F108 HydrophobicContact CG2-CE1 3.91Å; T106-F108 HydrophobicContact CG2-CE2 3.73Å; T106-F108 HydrophobicContact CG2-CZ 3.53Å; T106-F192 HydrophobicContact CG2-CD2 3.57Å; T106-F192 HydrophobicContact CG2-CE2 3.65Å; T106-F192 WeakPolarHBondContact OG1-CD2 3.27Å; T106-S195 VanDerWaalsContact OG1-CB 3.28Å; T106-S195 WeakPolarHBondContact OG1-CB 3.36Å; T106-S195 PolarHBondContact OG1-OG 3.49Å; T106-L295 WeakPolarHBondContact O-CA 3.5Å; T106-V296 PolarHBondContact N-O 2.72Å; T106-V296 PolarHBondContact O-N 3.2Å
107V96.1Very high93.3Very high1 Ų128.6 Ų28.61%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-88.9113.4175.6-179.40000108.4R109 R132 A134 L295V107-R109 HydrophobicContact CG1-CG 4.34Å; V107-R132 HydrophobicContact CB-CB 4.31Å; V107-R132 PolarHBondContact N-O 2.77Å; V107-R132 PolarHBondContact O-N 3.37Å; V107-A134 HydrophobicContact CG2-CB 3.77Å; V107-L295 HydrophobicContact CG2-CB 4.36Å; V107-L295 HydrophobicContact CG2-CD1 3.63Å
108F97.1Very high93.5Very high7 Ų730.4 Ų30.43%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-95126.4173.5-66.7-76.4000110.6T106 I129 I130 S195 M199 I266 S293 V294 V296T106-F108 HydrophobicContact CG2-CD1 4.43Å; T106-F108 HydrophobicContact CG2-CD2 4.26Å; T106-F108 HydrophobicContact CG2-CE1 3.91Å; T106-F108 HydrophobicContact CG2-CE2 3.73Å; T106-F108 HydrophobicContact CG2-CZ 3.53Å; F108-I129 HydrophobicContact CB-CG2 4.27Å; F108-I129 HydrophobicContact CD1-CG2 3.9Å; F108-I130 CarbonylContact C-O 3.6Å; F108-I130 VanDerWaalsContact CA-O 3.28Å; F108-I130 WeakPolarHBondContact CA-O 3.2Å; F108-S195 WeakPolarHBondContact CZ-O 3.24Å; F108-M199 HydrophobicContact CB-CE 4.14Å; F108-M199 HydrophobicContact CD1-CB 4.34Å; F108-M199 HydrophobicContact CD1-CE 4.06Å; F108-M199 HydrophobicContact CD1-CG 3.93Å; F108-M199 HydrophobicContact CD2-CE 3.68Å; F108-M199 HydrophobicContact CE1-CB 3.73Å; F108-M199 HydrophobicContact CE1-CE 4.4Å; F108-M199 HydrophobicContact CE1-CG 3.81Å; F108-M199 HydrophobicContact CE2-CB 4.48Å; F108-M199 HydrophobicContact CE2-CE 4.03Å; F108-M199 HydrophobicContact CG-CE 3.68Å; F108-M199 HydrophobicContact CZ-CB 3.81Å; F108-M199 HydrophobicContact CZ-CE 4.38Å; F108-M199 HydrophobicContact CZ-CG 4.29Å; F108-I266 HydrophobicContact CE1-CG2 4.44Å; F108-S293 WeakPolarHBondContact O-CA 3.21Å; F108-V294 PolarHBondContact N-O 3Å; F108-V294 PolarHBondContact O-N 3.47Å; F108-V296 HydrophobicContact CD2-CB 4.21Å; F108-V296 HydrophobicContact CD2-CG2 3.79Å; F108-V296 HydrophobicContact CE2-CB 4.1Å; F108-V296 HydrophobicContact CE2-CG2 4.1Å
109R96.7Very high93.5Very high18 Ų1833 Ų337%0.06817%0.171CC..EExtended strand (participates in β ladder)trans-119.3121.1176.6-81.4177.7170.7-154.7-6.1110V107 I129 I130 S278 D279 M291 T292 A308V107-R109 HydrophobicContact CG1-CG 4.34Å; R109-I129 CarbonylContact O-C 3.5Å; R109-I129 WeakPolarHBondContact O-CA 3.49Å; R109-I130 HydrophobicContact CB-CB 4.46Å; R109-I130 PolarHBondContact N-O 3.48Å; R109-I130 PolarHBondContact O-N 3.1Å; R109-S278 VanDerWaalsContact CD-OG 3.28Å; R109-S278 WeakPolarHBondContact CD-OG 3.47Å; R109-S278 PolarHBondContact NH1-OG 3.18Å; R109-D279 IonicContact NH1-OD1 3.86Å; R109-D279 PolarHBondContact NH1-OD1 3.2Å; R109-M291 HydrophobicContact CB-CE 4.32Å; R109-M291 HydrophobicContact CB-CG 4.24Å; R109-M291 HydrophobicContact CB-SD 3.7Å; R109-M291 HydrophobicContact CG-CE 4.15Å; R109-M291 HydrophobicContact CG-SD 4.16Å; R109-T292 VanDerWaalsContact CA-O 3.25Å; R109-T292 WeakPolarHBondContact CA-O 3.24Å; R109-A308 PolarHBondContact NH2-O 3.47Å
110E95.9Very high93.4Very high30 Ų3039 Ų3914%0.1420%0.203CC..EExtended strand (participates in β ladder)trans-128.8128.5-177-179.4174-160.500109.8P127 I129 K203 M291 T292E110-P127 HydrophobicContact CG-CB 4.2Å; E110-I129 HydrophobicContact CB-CD1 4.41Å; E110-I129 HydrophobicContact CB-CG1 3.88Å; E110-I129 HydrophobicContact CG-CD1 4.14Å; E110-I129 HydrophobicContact CG-CG1 3.73Å; E110-K203 IonicContact OE1-NZ 2.88Å; E110-K203 PolarHBondContact OE1-NZ 3.22Å; E110-K203 IonicContact OE2-NZ 3.43Å; E110-K203 PolarHBondContact OE2-NZ 2.86Å; E110-M291 WeakPolarHBondContact O-CA 3.42Å; E110-T292 WeakPolarHBondContact CB-OG1 3.42Å; E110-T292 PolarHBondContact N-O 3.22Å; E110-T292 PolarHBondContact N-OG1 2.99Å; E110-T292 PolarHBondContact O-N 2.67Å; E110-T292 PolarHBondContact O-OG1 3.07Å; E110-T292 VanDerWaalsContact O-OG1 3.13Å
111A93.4Very high93.6Very high8 Ų839 Ų397%0.06621%0.205CC..EExtended strand (participates in β ladder)trans-66.5138.3177.300000112.1Y285A111-Y285 HydrophobicContact CB-CD1 4.38Å; A111-Y285 HydrophobicContact CB-CD2 3.26Å; A111-Y285 HydrophobicContact CB-CE2 3.81Å; A111-Y285 HydrophobicContact CB-CG 3.62Å
112I94.4Very high93.8Very high11 Ų1140.5 Ų40.56%0.05622%0.222CC..  trans-91.8108.7173-56.4167.1000106.7M290 T292 I330 F334 I364I112-M290 HydrophobicContact CB-CB 4.31Å; I112-M290 HydrophobicContact CB-CE 4.1Å; I112-M290 HydrophobicContact CG2-CE 3.73Å; I112-M290 PolarHBondContact N-O 3.31Å; I112-T292 HydrophobicContact CD1-CG2 3.91Å; I112-T292 HydrophobicContact CG1-CG2 3.78Å; I112-I330 HydrophobicContact CD1-CG2 3.74Å; I112-I330 HydrophobicContact CG2-CG2 4.48Å; I112-F334 HydrophobicContact CD1-CB 4.03Å; I112-F334 HydrophobicContact CD1-CD1 3.54Å; I112-F334 HydrophobicContact CD1-CD2 3.76Å; I112-F334 HydrophobicContact CD1-CE1 3.81Å; I112-F334 HydrophobicContact CD1-CE2 4.03Å; I112-F334 HydrophobicContact CD1-CG 3.48Å; I112-F334 VanDerWaalsContact CD1-CG 3.48Å; I112-F334 HydrophobicContact CD1-CZ 4.04Å; I112-F334 HydrophobicContact CG1-CD1 3.92Å; I112-F334 HydrophobicContact CG1-CE1 3.85Å; I112-F334 HydrophobicContact CG1-CG 4.37Å; I112-F334 HydrophobicContact CG1-CZ 4.28Å; I112-F334 HydrophobicContact CG2-CE1 4.06Å; I112-F334 HydrophobicContact CG2-CE2 4.33Å; I112-F334 HydrophobicContact CG2-CZ 3.75Å; I112-I364 HydrophobicContact CG2-CD1 4.16Å; I112-I364 HydrophobicContact CG2-CG1 4.01Å
113I93.6Very high93.9Very high44 Ų4440.1 Ų40.123%0.22623%0.228CC..  trans-94.9124.1-172.5-61.7168.8000110.2P127 Y285I113-P127 HydrophobicContact CD1-CB 3.79Å; I113-P127 HydrophobicContact CD1-CG 4.28Å; I113-Y285 HydrophobicContact CD1-CD1 4.13Å; I113-Y285 HydrophobicContact CD1-CE1 3.83Å; I113-Y285 HydrophobicContact CG1-CD1 3.96Å; I113-Y285 HydrophobicContact CG1-CE1 4.19Å
114C94.5Very high94Very high5 Ų539.6 Ų39.63%0.03423%0.225CC..  trans-111.2131.9167.9-65.80000109.4N116 I117 M290 I367 E368C114-N116 VanDerWaalsContact C-N 3.25Å; C114-N116 PolarHBondContact O-N 3.2Å; C114-I117 HydrophobicContact CB-CB 4.28Å; C114-I117 HydrophobicContact CB-CG1 3.65Å; C114-I117 PolarHBondContact O-N 2.59Å; C114-M290 WeakPolarHBondContact SG-CE 3.3Å; C114-I367 HydrophobicContact CB-CG2 3.99Å; C114-E368 HydrophobicContact CB-CG 4.27Å
115K93.4Very high94.2Very high175 Ų17542.4 Ų42.476%0.76124%0.237SC*.THydrogen-bonded Turntrans-61.3-30.9-174.5-69.1165.4-159.11560114E368K115-E368 WeakPolarHBondContact CB-OE1 3.37Å; K115-E368 WeakPolarHBondContact CD-OE1 3.49Å; K115-E368 WeakPolarHBondContact CG-OE1 3.31Å; K115-E368 PolarHBondContact N-OE1 3.08Å; K115-E368 IonicContact NZ-OE2 2.85Å; K115-E368 PolarHBondContact NZ-OE2 2.88Å
116N94Very high94.4Very high48 Ų4846.7 Ų46.726%0.25725%0.251SS..THydrogen-bonded Turntrans-91.42-177.768.2-27.5000113.8C114 P118 I367C114-N116 VanDerWaalsContact C-N 3.25Å; C114-N116 PolarHBondContact O-N 3.2Å; N116-P118 WeakPolarHBondContact O-CD 3.15Å; N116-I367 PolarHBondContact ND2-O 3.4Å
117I94.2Very high94.4Very high11 Ų1147.7 Ų47.76%0.05626%0.257CS..SBendtrans-97.6114.6174.9-57.1-57.4000108.9C114 I367 M372 L376 C379 I380C114-I117 HydrophobicContact CB-CB 4.28Å; C114-I117 HydrophobicContact CB-CG1 3.65Å; C114-I117 PolarHBondContact O-N 2.59Å; I117-I367 HydrophobicContact CD1-CG2 4.04Å; I117-I367 HydrophobicContact CG1-CG2 4.08Å; I117-M372 HydrophobicContact CD1-SD 4.13Å; I117-L376 HydrophobicContact CD1-CB 3.87Å; I117-L376 HydrophobicContact CD1-CD2 4.24Å; I117-L376 HydrophobicContact CD1-CG 4.46Å; I117-L376 HydrophobicContact CG1-CD2 4.46Å; I117-C379 HydrophobicContact CG2-CB 4.06Å; I117-I380 HydrophobicContact CD1-CD1 4.1Å; I117-I380 HydrophobicContact CD1-CG1 4.28Å
118P92.9Very high94.5Very high66 Ų6647.6 Ų47.643%0.42926%0.257SS..  trans-62.6139177.9-23.934.7000112N116 I380N116-P118 WeakPolarHBondContact O-CD 3.15Å; P118-I380 HydrophobicContact CG-CG1 4.48Å
119R92.4Very high94.5Very high76 Ų7647.3 Ų47.329%0.28726%0.256SS..  trans-90.5142.1175.2-56.2176.7-167.7122.14.2109.4W124 G284 Y285R119-W124 WeakPolarHBondContact CD-O 3.47Å; R119-W124 PolarHBondContact NE-O 2.61Å; R119-W124 VanDerWaalsContact NE-O 3.1Å; R119-W124 PolarHBondContact NH1-O 2.73Å; R119-G284 CarbonylContact C-O 3.59Å; R119-Y285 HydrophobicContact CG-CD1 4.35Å
120L93.1Very high94.6Very high126 Ų12646.6 Ų46.666%0.6625%0.253SS*.SBendtrans-72.9-34.7170.9-61.8-178.9000110.9Q283 G284L120-Q283 HydrophobicContact CD1-CG 3.93Å; L120-Q283 WeakPolarHBondContact CD1-O 3.39Å; L120-G284 PolarHBondContact N-O 2.97Å
121V94.7Very high94.7Very high20 Ų2045.1 Ų45.112%0.12125%0.247CC..SBendtrans-98.293.8171-169.10000108.2G123 W124 M259 G284V121-G123 PolarHBondContact O-N 3.34Å; V121-W124 HydrophobicContact CB-CD2 3.68Å; V121-W124 HydrophobicContact CB-CE3 3.86Å; V121-W124 HydrophobicContact CB-CG 4.07Å; V121-W124 HydrophobicContact CB-CH2 4.44Å; V121-W124 HydrophobicContact CB-CZ2 4.31Å; V121-W124 HydrophobicContact CB-CZ3 4.23Å; V121-W124 HydrophobicContact CG1-CD2 3.77Å; V121-W124 HydrophobicContact CG1-CE3 4.43Å; V121-W124 HydrophobicContact CG1-CG 3.9Å; V121-W124 HydrophobicContact CG1-CZ2 4.14Å; V121-W124 HydrophobicContact CG2-CD2 4.29Å; V121-W124 HydrophobicContact CG2-CE3 4.16Å; V121-W124 HydrophobicContact CG2-CH2 3.99Å; V121-W124 HydrophobicContact CG2-CZ2 4.13Å; V121-W124 HydrophobicContact CG2-CZ3 4.01Å; V121-W124 PolarHBondContact O-N 2.96Å; V121-M259 HydrophobicContact CB-CE 4.47Å; V121-M259 HydrophobicContact CG1-CE 3.97Å; V121-M259 HydrophobicContact CG1-SD 4.23Å; V121-M259 HydrophobicContact CG2-CE 3.65Å; V121-M259 HydrophobicContact CG2-SD 3.89Å; V121-G284 PolarHBondContact N-O 3.18Å
122S92.6Very high94.9Very high107 Ų10745.2 Ų45.275%0.74825%0.245SC*.THydrogen-bonded Turntrans-63.2-26.8-170.3560000114.4W124S122-W124 VanDerWaalsContact C-N 3.31Å; S122-W124 PolarHBondContact O-N 3.24Å
123G93.6Very high94.9Very high34 Ų3444.7 Ų44.735%0.35124%0.243SC..THydrogen-bonded Turntrans-71.5-20.8178.600000114.2V121 V125 E262V121-G123 PolarHBondContact O-N 3.34Å; G123-V125 PolarHBondContact O-N 2.97Å; G123-E262 WeakPolarHBondContact O-CA 3.28Å
124W95.4Very high94.8Very high6 Ų643.2 Ų43.22%0.02324%0.236CC..  trans-74113.4-178.6-68-7000110.8R119 V121 S122 I128 A258 M259 V281 Y285R119-W124 WeakPolarHBondContact CD-O 3.47Å; R119-W124 PolarHBondContact NE-O 2.61Å; R119-W124 VanDerWaalsContact NE-O 3.1Å; R119-W124 PolarHBondContact NH1-O 2.73Å; V121-W124 HydrophobicContact CB-CD2 3.68Å; V121-W124 HydrophobicContact CB-CE3 3.86Å; V121-W124 HydrophobicContact CB-CG 4.07Å; V121-W124 HydrophobicContact CB-CH2 4.44Å; V121-W124 HydrophobicContact CB-CZ2 4.31Å; V121-W124 HydrophobicContact CB-CZ3 4.23Å; V121-W124 HydrophobicContact CG1-CD2 3.77Å; V121-W124 HydrophobicContact CG1-CE3 4.43Å; V121-W124 HydrophobicContact CG1-CG 3.9Å; V121-W124 HydrophobicContact CG1-CZ2 4.14Å; V121-W124 HydrophobicContact CG2-CD2 4.29Å; V121-W124 HydrophobicContact CG2-CE3 4.16Å; V121-W124 HydrophobicContact CG2-CH2 3.99Å; V121-W124 HydrophobicContact CG2-CZ2 4.13Å; V121-W124 HydrophobicContact CG2-CZ3 4.01Å; V121-W124 PolarHBondContact O-N 2.96Å; S122-W124 VanDerWaalsContact C-N 3.31Å; S122-W124 PolarHBondContact O-N 3.24Å; W124-I128 HydrophobicContact CD2-CD1 3.88Å; W124-I128 HydrophobicContact CE3-CD1 4.32Å; W124-I128 HydrophobicContact CG-CD1 4.37Å; W124-I128 HydrophobicContact CH2-CD1 4.23Å; W124-I128 HydrophobicContact CZ2-CD1 3.76Å; W124-I128 HydrophobicContact CZ3-CD1 4.48Å; W124-A258 PolarHBondContact NE1-O 2.72Å; W124-M259 HydrophobicContact CH2-SD 4.37Å; W124-M259 HydrophobicContact CZ2-SD 3.87Å; W124-V281 HydrophobicContact CH2-CB 4.41Å; W124-V281 HydrophobicContact CH2-CG2 3.93Å; W124-V281 HydrophobicContact CZ3-CB 4.34Å; W124-V281 HydrophobicContact CZ3-CG1 4.26Å; W124-V281 HydrophobicContact CZ3-CG2 4.33Å; W124-Y285 HydrophobicContact CB-CE1 3.7Å; W124-Y285 HydrophobicContact CD2-CE2 4.31Å; W124-Y285 AromaticContact CE3-CD2 3.87Å; W124-Y285 HydrophobicContact CE3-CD2 3.87Å; W124-Y285 HydrophobicContact CE3-CE1 4.25Å; W124-Y285 AromaticContact CE3-CE2 3.51Å; W124-Y285 HydrophobicContact CE3-CE2 3.51Å; W124-Y285 HydrophobicContact CE3-CG 4.36Å; W124-Y285 AromaticContact CE3-CZ 3.69Å; W124-Y285 HydrophobicContact CZ3-CD2 4.17Å; W124-Y285 AromaticContact CZ3-CE2 3.99Å; W124-Y285 HydrophobicContact CZ3-CE2 3.99Å
125V93.7Very high94.7Very high82 Ų8244.5 Ų44.550%0.49724%0.241SC..  trans-108.1-44.6-179.31800000110.9G123 E262G123-V125 PolarHBondContact O-N 2.97Å; V125-E262 PolarHBondContact N-O 2.91Å
126K95.6Very high94.7Very high106 Ų10636.1 Ų36.146%0.46121%0.205SC..SBendtrans-93155.1174.3-63.3171.1-173.1167.10108.9E262 Y285K126-E262 PolarHBondContact N-O 3.42Å; K126-Y285 PolarHBondContact O-OH 2.92Å
127P95.7Very high94.7Very high20 Ų2034.1 Ų34.113%0.1319%0.194CC..  trans-69.1156.3177.131.4-36.2000111.3E110 I113 W205 G264 Y285E110-P127 HydrophobicContact CG-CB 4.2Å; I113-P127 HydrophobicContact CD1-CB 3.79Å; I113-P127 HydrophobicContact CD1-CG 4.28Å; P127-W205 HydrophobicContact CG-CH2 3.37Å; P127-W205 HydrophobicContact CG-CZ2 4.33Å; P127-W205 HydrophobicContact CG-CZ3 3.84Å; P127-G264 WeakPolarHBondContact O-CA 3.24Å; P127-G264 PolarHBondContact O-N 3.43Å; P127-Y285 VanDerWaalsContact CA-OH 3.3Å; P127-Y285 WeakPolarHBondContact CA-OH 3.29Å
128I97.8Very high94.6Very high0 Ų037.7 Ų37.70%021%0.21CC..EExtended strand (participates in β ladder)trans-107.1131.9166.5-64.6165.8000106.7W124 I130 F265 W267 V281 Y285W124-I128 HydrophobicContact CD2-CD1 3.88Å; W124-I128 HydrophobicContact CE3-CD1 4.32Å; W124-I128 HydrophobicContact CG-CD1 4.37Å; W124-I128 HydrophobicContact CH2-CD1 4.23Å; W124-I128 HydrophobicContact CZ2-CD1 3.76Å; W124-I128 HydrophobicContact CZ3-CD1 4.48Å; I128-I130 HydrophobicContact CG2-CD1 3.99Å; I128-F265 HydrophobicContact CB-CZ 4.4Å; I128-F265 HydrophobicContact CD1-CE1 3.92Å; I128-F265 HydrophobicContact CD1-CZ 3.65Å; I128-F265 HydrophobicContact CG1-CD1 4.38Å; I128-F265 HydrophobicContact CG1-CE1 3.69Å; I128-F265 HydrophobicContact CG1-CE2 4.31Å; I128-F265 HydrophobicContact CG1-CZ 3.66Å; I128-F265 HydrophobicContact CG2-CD2 4.26Å; I128-F265 HydrophobicContact CG2-CE2 3.68Å; I128-F265 HydrophobicContact CG2-CZ 3.84Å; I128-W267 HydrophobicContact CG2-CB 4.4Å; I128-W267 HydrophobicContact CG2-CE3 4.31Å; I128-V281 HydrophobicContact CB-CG1 4Å; I128-V281 HydrophobicContact CG2-CG1 4.41Å; I128-V281 HydrophobicContact CG2-CG2 4.39Å; I128-Y285 PolarHBondContact N-OH 3.29Å; I128-Y285 VanDerWaalsContact N-OH 3.14Å
129I98Very high94.3Very high1 Ų139.2 Ų39.21%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-104.2113.3176.1-60.5178.7000108.4F108 R109 E110 M199 K203 W205 F265 I266 W267F108-I129 HydrophobicContact CB-CG2 4.27Å; F108-I129 HydrophobicContact CD1-CG2 3.9Å; R109-I129 CarbonylContact O-C 3.5Å; R109-I129 WeakPolarHBondContact O-CA 3.49Å; E110-I129 HydrophobicContact CB-CD1 4.41Å; E110-I129 HydrophobicContact CB-CG1 3.88Å; E110-I129 HydrophobicContact CG-CD1 4.14Å; E110-I129 HydrophobicContact CG-CG1 3.73Å; I129-M199 HydrophobicContact CG2-CG 4.42Å; I129-K203 HydrophobicContact CD1-CD 3.83Å; I129-K203 VanDerWaalsContact CD1-CE 3.44Å; I129-K203 HydrophobicContact CD1-CG 3.85Å; I129-W205 HydrophobicContact CD1-CE3 4.18Å; I129-W205 HydrophobicContact CD1-CZ3 3.64Å; I129-W205 HydrophobicContact CG1-CZ3 3.95Å; I129-F265 PolarHBondContact N-O 2.99Å; I129-F265 VanDerWaalsContact N-O 3.12Å; I129-I266 HydrophobicContact CB-CD1 3.68Å; I129-I266 HydrophobicContact CD1-CD1 3.66Å; I129-I266 HydrophobicContact CG1-CD1 4.07Å; I129-I266 HydrophobicContact CG2-CD1 4.16Å; I129-I266 CarbonylContact O-C 3.54Å; I129-I266 WeakPolarHBondContact O-CA 3.45Å; I129-W267 PolarHBondContact O-N 2.85Å
130I98.2Very high94.2Very high2 Ų240 Ų401%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-82.3122.1171.7-58.4-53.9000108.8F108 R109 I128 W267 V281F108-I130 CarbonylContact C-O 3.6Å; F108-I130 VanDerWaalsContact CA-O 3.28Å; F108-I130 WeakPolarHBondContact CA-O 3.2Å; R109-I130 HydrophobicContact CB-CB 4.46Å; R109-I130 PolarHBondContact N-O 3.48Å; R109-I130 PolarHBondContact O-N 3.1Å; I128-I130 HydrophobicContact CG2-CD1 3.99Å; I130-W267 CarbonylContact C-O 3.59Å; I130-W267 WeakPolarHBondContact CA-O 3.4Å; I130-W267 HydrophobicContact CD1-CB 3.77Å; I130-W267 HydrophobicContact CD1-CD2 3.83Å; I130-W267 HydrophobicContact CD1-CE3 3.41Å; I130-W267 VanDerWaalsContact CD1-CE3 3.41Å; I130-W267 HydrophobicContact CD1-CG 4.03Å; I130-W267 HydrophobicContact CD1-CZ3 4.21Å; I130-V281 HydrophobicContact CD1-CG2 4.06Å; I130-V281 HydrophobicContact CG1-CB 4.49Å; I130-V281 HydrophobicContact CG1-CG2 4.29Å
131G97.9Very high94.2Very high0 Ų035 Ų350%019%0.188CC..EExtended strand (participates in β ladder)trans-97.5104.816500000109.5F192 W267 A268 C269G131-F192 WeakPolarHBondContact O-CE2 3.36Å; G131-F192 WeakPolarHBondContact O-CZ 3.38Å; G131-W267 PolarHBondContact N-O 2.99Å; G131-A268 CarbonylContact O-C 3.5Å; G131-A268 WeakPolarHBondContact O-CA 2.94Å; G131-C269 PolarHBondContact O-N 2.91Å
132R96.8Very high94.2Very high9 Ų939.1 Ų39.13%0.03421%0.213CC..EExtended strand (participates in β ladder)trans-91.7124.2178.4174.7-173.6175.1172.410110.5V107 A134 Y139 N271 D275V107-R132 HydrophobicContact CB-CB 4.31Å; V107-R132 PolarHBondContact N-O 2.77Å; V107-R132 PolarHBondContact O-N 3.37Å; R132-A134 VanDerWaalsContact C-N 3.35Å; R132-A134 PolarHBondContact O-N 2.91Å; R132-Y139 VanDerWaalsContact NH2-CZ 3.32Å; R132-N271 PolarHBondContact NE-O 2.68Å; R132-N271 VanDerWaalsContact NE-O 3.17Å; R132-N271 PolarHBondContact NE-OD1 2.95Å; R132-N271 PolarHBondContact NH2-OD1 3.38Å; R132-D275 IonicContact CZ-OD1 3.61Å; R132-D275 IonicContact CZ-OD2 3.41Å; R132-D275 IonicContact NH1-OD1 3.88Å; R132-D275 PolarHBondContact NH1-OD1 2.67Å; R132-D275 IonicContact NH1-OD2 3.4Å; R132-D275 PolarHBondContact NH1-OD2 2.86Å; R132-D275 VanDerWaalsContact NH2-CG 3.32Å; R132-D275 IonicContact NH2-OD1 3.18Å; R132-D275 IonicContact NH2-OD2 2.78Å; R132-D275 PolarHBondContact NH2-OD2 3.46Å
133H95.6Very high94.4Very high1 Ų139.7 Ų39.71%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-72.286.3167.2-172-146.4000110.7Y135 N184 S188 F192 F223 C269 N271H133-Y135 PolarHBondContact O-N 3.27Å; H133-N184 PolarHBondContact CE1-ND2 3.36Å; H133-N184 PolarHBondContact CE1-OD1 2.87Å; H133-S188 PolarHBondContact NE2-O 2.89Å; H133-S188 PolarHBondContact NE2-OG 3.13Å; H133-F192 HydrophobicContact CB-CD1 3.6Å; H133-F192 HydrophobicContact CB-CD2 4.13Å; H133-F192 HydrophobicContact CB-CE1 3.64Å; H133-F192 HydrophobicContact CB-CE2 4.16Å; H133-F192 HydrophobicContact CB-CG 3.86Å; H133-F192 HydrophobicContact CB-CZ 3.91Å; H133-F192 AromaticContact CD2-CD1 3.98Å; H133-F192 AromaticContact CD2-CG 3.75Å; H133-F192 AromaticContact CG-CD1 3.72Å; H133-F192 AromaticContact CG-CG 3.92Å; H133-F223 AromaticContact CE1-CE1 3.74Å; H133-F223 AromaticContact CE1-CZ 3.69Å; H133-F223 AromaticContact ND1-CE1 3.28Å; H133-F223 VanDerWaalsContact ND1-CE1 3.28Å; H133-F223 WeakPolarHBondContact ND1-CE1 3.39Å; H133-F223 AromaticContact ND1-CZ 3.39Å; H133-F223 WeakPolarHBondContact ND1-CZ 3.45Å; H133-C269 PolarHBondContact N-O 3.14Å; H133-N271 WeakPolarHBondContact O-CA 3.18Å; H133-N271 WeakPolarHBondContact O-CB 3.07Å
134A91.9Very high94.5Very high12 Ų1243 Ų4310%0.09921%0.213CC..  trans-79.345.8-173.600000113.3V107 R132V107-A134 HydrophobicContact CG2-CB 3.77Å; R132-A134 VanDerWaalsContact C-N 3.35Å; R132-A134 PolarHBondContact O-N 2.91Å
135Y92.4Very high94.7Very high32 Ų3248 Ų4813%0.12524%0.244CC..SBendtrans-144.5146.1-178.2-178.3-87.2000111.8H133 R140 Y183 N184 Q185 S188H133-Y135 PolarHBondContact O-N 3.27Å; Y135-R140 VanDerWaalsContact CE2-NH1 3.3Å; Y135-Y183 HydrophobicContact CE1-CE2 4.34Å; Y135-N184 VanDerWaalsContact CD1-OD1 3.27Å; Y135-N184 WeakPolarHBondContact CD1-OD1 3.41Å; Y135-N184 PolarHBondContact O-ND2 2.78Å; Y135-Q185 HydrophobicContact CE1-CB 4.28Å; Y135-Q185 HydrophobicContact CE1-CG 4.08Å; Y135-Q185 PolarHBondContact OH-NE2 3.28Å; Y135-S188 WeakPolarHBondContact CB-OG 3.44Å; Y135-S188 WeakPolarHBondContact CD1-OG 3.48Å; Y135-S188 VanDerWaalsContact CG-OG 3.29Å
136G92.4Very high94.9Very high0 Ų044.6 Ų44.60%022%0.223CC..SBendtrans62.9-146.9175.600000113Y183 N271G136-Y183 WeakPolarHBondContact CA-O 3.21Å; G136-N271 PolarHBondContact O-ND2 3.38Å
137D94.1Very high95Very high6 Ų645.9 Ų45.93%0.03224%0.242CC..G310 helixtrans54.7-153.3-178.8-59.4-12.4000111.8Y139 R140 A141 Y183 N184 Y219 N271D137-Y139 PolarHBondContact O-N 2.79Å; D137-Y139 VanDerWaalsContact O-N 3.16Å; D137-R140 PolarHBondContact O-N 3.2Å; D137-R140 VanDerWaalsContact O-N 3.16Å; D137-A141 PolarHBondContact O-N 2.85Å; D137-Y183 PolarHBondContact N-O 2.99Å; D137-N184 PolarHBondContact OD1-ND2 3.34Å; D137-Y219 WeakPolarHBondContact OD1-CE1 3.14Å; D137-Y219 PolarHBondContact OD1-OH 3.15Å; D137-N271 HydrophobicContact CB-CB 3.91Å; D137-N271 WeakPolarHBondContact OD2-CB 3.24Å; D137-N271 PolarHBondContact OD2-N 3.1Å
138Q91.3Very high95.1Very high85 Ų8545.8 Ų45.840%0.39725%0.245SC..G310 helixtrans-61.2-22.6-177.367.8-174.77000114.4R140 A141 M180 Y272Q138-R140 PolarHBondContact O-N 3.17Å; Q138-A141 PolarHBondContact O-N 3.48Å; Q138-M180 HydrophobicContact CB-SD 4.26Å; Q138-Y272 VanDerWaalsContact CD-CD2 3.45Å; Q138-Y272 HydrophobicContact CG-CD2 4.49Å; Q138-Y272 VanDerWaalsContact OE1-CB 3.3Å; Q138-Y272 VanDerWaalsContact OE1-CG 3.24Å
139Y87.9Confident95.1Very high99 Ų9950 Ų5039%0.38827%0.272SS..G310 helixtrans-74.8-12.6179.9-67.4-98.2000113.1R132 D137 N271 Y272 D275R132-Y139 VanDerWaalsContact NH2-CZ 3.32Å; D137-Y139 PolarHBondContact O-N 2.79Å; D137-Y139 VanDerWaalsContact O-N 3.16Å; Y139-N271 HydrophobicContact CD2-CB 3.98Å; Y139-N271 VanDerWaalsContact CD2-ND2 3.33Å; Y139-N271 WeakPolarHBondContact CD2-ND2 3.36Å; Y139-N271 HydrophobicContact CE2-CB 4.29Å; Y139-Y272 HydrophobicContact CE2-CD2 4.23Å; Y139-D275 WeakPolarHBondContact CE1-OD2 3.42Å; Y139-D275 VanDerWaalsContact CZ-OD2 3.25Å; Y139-D275 WeakPolarHBondContact OH-CB 3.49Å; Y139-D275 VanDerWaalsContact OH-CG 3.31Å; Y139-D275 PolarHBondContact OH-OD2 3.3Å
140R89.2Confident95.1Very high93 Ų9351.5 Ų51.535%0.35129%0.288SS..G310 helixtrans-130.120.3173.4-56.9-16975-168.62.6112Y135 D137 Q138 Y183Y135-R140 VanDerWaalsContact CE2-NH1 3.3Å; D137-R140 PolarHBondContact O-N 3.2Å; D137-R140 VanDerWaalsContact O-N 3.16Å; Q138-R140 PolarHBondContact O-N 3.17Å; R140-Y183 HydrophobicContact CB-CE1 4.14Å; R140-Y183 PolarHBondContact NE-OH 3.46Å; R140-Y183 PolarHBondContact NH1-OH 2.64Å; R140-Y183 WeakPolarHBondContact O-CE1 3.26Å
141A93.2Very high95.1Very high21 Ų2158.1 Ų58.117%0.17432%0.317CS..  trans-70.1157.8176.600000111.1D137 Q138 M180 G181 M182D137-A141 PolarHBondContact O-N 2.85Å; Q138-A141 PolarHBondContact O-N 3.48Å; A141-M180 HydrophobicContact CB-CG 3.51Å; A141-M180 HydrophobicContact CB-SD 3.63Å; A141-G181 CarbonylContact C-O 3.59Å; A141-G181 WeakPolarHBondContact CA-O 3.46Å; A141-G181 VanDerWaalsContact CB-O 3.31Å; A141-G181 WeakPolarHBondContact CB-O 3.37Å; A141-M182 HydrophobicContact CB-CB 3.95Å
142T95.4Very high95.1Very high106 Ų10658.9 Ų58.965%0.6532%0.321SS*.EExtended strand (participates in β ladder)trans-100.2118.7161.4-60.10000107.4M180 G181T142-M180 CarbonylContact O-C 3.58Å; T142-M180 WeakPolarHBondContact O-CA 3.47Å; T142-G181 PolarHBondContact N-O 2.75Å; T142-G181 PolarHBondContact O-N 3.15Å
143D95.5Very high95.1Very high119 Ų11963.8 Ų63.864%0.63634%0.344SS*.EExtended strand (participates in β ladder)trans-123.2152.1176.368.8-43.5000111.2A179 M180D143-A179 VanDerWaalsContact CA-O 3.24Å; D143-A179 WeakPolarHBondContact CA-O 3.46Å; D143-M180 HydrophobicContact CB-CB 4.13Å; D143-M180 HydrophobicContact CB-CG 4.12Å
144F97.1Very high95.2Very high104 Ų10467.7 Ų67.746%0.45637%0.365SS..EExtended strand (participates in β ladder)trans-159.4159.6178.964.9-78.8000111.7V146 V152 V178 A179F144-V146 HydrophobicContact CD2-CG2 4.39Å; F144-V146 HydrophobicContact CE2-CG2 3.86Å; F144-V146 HydrophobicContact CZ-CG2 4.43Å; F144-V152 HydrophobicContact CZ-CG1 4.25Å; F144-V152 HydrophobicContact CZ-CG2 4.31Å; F144-V178 WeakPolarHBondContact O-CA 3.35Å; F144-A179 HydrophobicContact CD1-CB 4.43Å; F144-A179 HydrophobicContact CE1-CB 3.8Å; F144-A179 HydrophobicContact CZ-CB 3.85Å; F144-A179 PolarHBondContact N-O 3.28Å; F144-A179 PolarHBondContact O-N 2.9Å; F144-A179 VanDerWaalsContact O-N 3.09Å
145V98.3Very high95.5Very high111 Ų11170.3 Ų70.367%0.67338%0.379SS*.EExtended strand (participates in β ladder)trans-81.8125.5171.8179.40000109.2G177V145-G177 WeakPolarHBondContact CA-O 3.23Å
146V98Very high95.7Very high10 Ų1075.7 Ų75.76%0.06140%0.401CS..EExtended strand (participates in β ladder)trans-82.9117.1170.1-177.90000107.2F144 G148 V152 F172 G176 G177 A179F144-V146 HydrophobicContact CD2-CG2 4.39Å; F144-V146 HydrophobicContact CE2-CG2 3.86Å; F144-V146 HydrophobicContact CZ-CG2 4.43Å; V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 WeakPolarHBondContact CG1-O 3.24Å; V146-G148 PolarHBondContact O-N 3.44Å; V146-V152 HydrophobicContact CG2-CG2 3.78Å; V146-F172 HydrophobicContact CB-CE2 4.44Å; V146-F172 HydrophobicContact CB-CZ 4.38Å; V146-F172 HydrophobicContact CG1-CD1 4.44Å; V146-F172 HydrophobicContact CG1-CD2 3.99Å; V146-F172 HydrophobicContact CG1-CE2 4.24Å; V146-F172 HydrophobicContact CG1-CG 4.11Å; V146-F172 HydrophobicContact CG2-CD2 4.46Å; V146-F172 HydrophobicContact CG2-CE1 4.49Å; V146-F172 HydrophobicContact CG2-CE2 3.89Å; V146-F172 HydrophobicContact CG2-CZ 3.9Å; V146-G176 CarbonylContact O-C 3.56Å; V146-G176 WeakPolarHBondContact O-CA 3Å; V146-G177 PolarHBondContact N-O 2.99Å; V146-G177 PolarHBondContact O-N 3.39Å; V146-A179 HydrophobicContact CG2-CB 4.09Å
147P97.8Very high95.9Very high132 Ų13280.6 Ų80.686%0.85743%0.43SS*.  trans-76.1-16.3-167.228.8-35.9000114.7
148G97.8Very high96.1Very high18 Ų1880.9 Ų80.919%0.18643%0.433CS..SBendtrans-179.2-169.2-174.600000111.6V146 G175V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 WeakPolarHBondContact CG1-O 3.24Å; V146-G148 PolarHBondContact O-N 3.44Å; G148-G175 CarbonylContact C-O 3.57Å; G148-G175 VanDerWaalsContact C-O 3.26Å
149P98Very high96.3Very high89 Ų8983.2 Ų83.258%0.57846%0.458SS*.SBendtrans-54139.2178.1-26.734.8000113.2F172P149-F172 CarbonylContact C-O 3.41Å; P149-F172 WeakPolarHBondContact CA-O 3.31Å; P149-F172 WeakPolarHBondContact CB-O 3.36Å
150G97.7Very high96.7Very high32 Ų3284.2 Ų84.233%0.3347%0.471SS..EExtended strand (participates in β ladder)trans161.9170-179.300000113.9F172G150-F172 PolarHBondContact N-O 2.87Å; G150-F172 WeakPolarHBondContact O-CB 3.48Å; G150-F172 PolarHBondContact O-N 3.1Å
151K98Very high96.9Very high142 Ų14283.1 Ų83.162%0.61749%0.488SS*.EExtended strand (participates in β ladder)trans-92.1134176.1-68.2-179.5-179-179.10110.9L168 N171K151-L168 HydrophobicContact CB-CD1 4.12Å; K151-L168 HydrophobicContact CD-CD1 4.31Å; K151-L168 HydrophobicContact CG-CD1 4.19Å; K151-N171 HydrophobicContact CG-CB 4.32Å; K151-N171 VanDerWaalsContact CG-OD1 3.23Å; K151-N171 WeakPolarHBondContact CG-OD1 3.4Å
152V98.2Very high97Very high16 Ų1686.1 Ų86.110%0.09750%0.504CS..EExtended strand (participates in β ladder)trans-105.3123.9164.8176.60000108.3F144 V146 V169 H170 F172 A179F144-V152 HydrophobicContact CZ-CG1 4.25Å; F144-V152 HydrophobicContact CZ-CG2 4.31Å; V146-V152 HydrophobicContact CG2-CG2 3.78Å; V152-V169 HydrophobicContact CB-CB 4.43Å; V152-V169 HydrophobicContact CG1-CB 4.04Å; V152-V169 HydrophobicContact CG1-CG1 4.47Å; V152-V169 HydrophobicContact CG1-CG2 4.31Å; V152-V169 WeakPolarHBondContact O-CA 3.46Å; V152-V169 WeakPolarHBondContact O-CB 3.36Å; V152-V169 PolarHBondContact O-N 3.29Å; V152-H170 PolarHBondContact N-O 3.26Å; V152-H170 PolarHBondContact O-N 3.44Å; V152-F172 HydrophobicContact CB-CE2 4.1Å; V152-F172 HydrophobicContact CG2-CD2 3.93Å; V152-F172 HydrophobicContact CG2-CE2 3.48Å; V152-F172 VanDerWaalsContact CG2-CE2 3.48Å; V152-A179 HydrophobicContact CG1-CB 3.85Å; V152-A179 HydrophobicContact CG2-CB 4.27Å
153E98.1Very high97.1Very high111 Ų11189 Ų8952%0.51951%0.51SS..EExtended strand (participates in β ladder)trans-124.9150.2-179.8-60.8-179.6149.300109.9T166 Y167 L168E153-T166 HydrophobicContact CB-CG2 3.74Å; E153-T166 HydrophobicContact CG-CG2 4.18Å; E153-Y167 CarbonylContact C-O 3.26Å; E153-Y167 VanDerWaalsContact CA-O 3.27Å; E153-Y167 WeakPolarHBondContact CA-O 3.49Å; E153-L168 HydrophobicContact CG-CD1 4.1Å
154I97.2Very high97.1Very high84 Ų8489.8 Ų89.843%0.43151%0.508SS..EExtended strand (participates in β ladder)trans-118.7128.6172-169.4168.8000109.1Y167 V169I154-Y167 HydrophobicContact CG2-CD2 4.44Å; I154-Y167 PolarHBondContact N-O 3.14Å; I154-Y167 PolarHBondContact O-N 3.37Å; I154-V169 HydrophobicContact CB-CG2 3.91Å; I154-V169 HydrophobicContact CG2-CG2 3.74Å
155T97.5Very high97.1Very high67 Ų6787.5 Ų87.541%0.41150%0.502SS..EExtended strand (participates in β ladder)trans-118.8130.3-173.9-61.50000110.9K164 V165 T166T155-K164 HydrophobicContact CG2-CB 4.12Å; T155-K164 HydrophobicContact CG2-CD 4.23Å; T155-K164 HydrophobicContact CG2-CG 4.48Å; T155-V165 CarbonylContact C-O 3.48Å; T155-V165 WeakPolarHBondContact CA-O 3.33Å; T155-T166 WeakPolarHBondContact CG2-OG1 3.48Å; T155-T166 WeakPolarHBondContact OG1-CG2 3.33Å; T155-T166 PolarHBondContact OG1-OG1 3.05Å
156Y96.6Very high97.1Very high145 Ų14584.8 Ų84.857%0.56949%0.486SS*.EExtended strand (participates in β ladder)trans-101.6125.1168.1171.8-120.1000109.6P158 K164 V165Y156-P158 HydrophobicContact CD1-CG 4.13Å; Y156-P158 HydrophobicContact CE1-CB 4.34Å; Y156-P158 HydrophobicContact CE1-CG 3.66Å; Y156-K164 CarbonylContact O-C 3.54Å; Y156-K164 WeakPolarHBondContact O-CA 3.5Å; Y156-V165 PolarHBondContact N-O 2.89Å; Y156-V165 PolarHBondContact O-N 3.2Å
157T97.4Very high97.1Very high102 Ų10291 Ų9163%0.62651%0.509SS*.  trans-113.3104.1177.3-57.20000108.9
158P97Very high97.1Very high13 Ų1389.5 Ų89.58%0.08449%0.494CS..  trans-58.6143.7175.6-23.833.6000112.7Y156 D160 T162Y156-P158 HydrophobicContact CD1-CG 4.13Å; Y156-P158 HydrophobicContact CE1-CB 4.34Å; Y156-P158 HydrophobicContact CE1-CG 3.66Å; P158-D160 WeakPolarHBondContact CB-OD1 3.41Å; P158-T162 WeakPolarHBondContact CD-O 3.48Å; P158-T162 HydrophobicContact CG-CG2 4.29Å
159S96.3Very high97.1Very high133 Ų13392.4 Ų92.493%0.9351%0.508SS*.THydrogen-bonded Turntrans-78.9-19.1177.953.30000113.9G161S159-G161 PolarHBondContact O-N 3.19Å
160D96.2Very high97.1Very high121 Ų12192.9 Ų92.965%0.64750%0.502SS*.THydrogen-bonded Turntrans-801.5179.366-7.2000113.4P158 T162P158-D160 WeakPolarHBondContact CB-OD1 3.41Å; D160-T162 VanDerWaalsContact C-N 3.31Å; D160-T162 WeakPolarHBondContact OD1-CB 2.98Å; D160-T162 PolarHBondContact OD1-N 3.36Å; D160-T162 PolarHBondContact OD1-OG1 2.89Å; D160-T162 PolarHBondContact OD2-OG1 3.38Å
161G93.6Very high97.1Very high70 Ų7093.9 Ų93.972%0.72250%0.5SS*.SBendtrans83.12.5-17700000114.3S159S159-G161 PolarHBondContact O-N 3.19Å
162T95.6Very high97.1Very high83 Ų8388.4 Ų88.451%0.50948%0.476SS..PPolyproline II helixtrans-57.9147.9170.3-620000110.3P158 D160 K164P158-T162 WeakPolarHBondContact CD-O 3.48Å; P158-T162 HydrophobicContact CG-CG2 4.29Å; D160-T162 VanDerWaalsContact C-N 3.31Å; D160-T162 WeakPolarHBondContact OD1-CB 2.98Å; D160-T162 PolarHBondContact OD1-N 3.36Å; D160-T162 PolarHBondContact OD1-OG1 2.89Å; D160-T162 PolarHBondContact OD2-OG1 3.38Å; T162-K164 PolarHBondContact O-N 3.14Å
163Q96.7Very high97Very high167 Ų16794.8 Ų94.878%0.7851%0.505SS*.PPolyproline II helixtrans-55.8134.1-175.7-171175.96.700111.9
164K96.9Very high96.9Very high136 Ų13698.6 Ų98.659%0.59152%0.523SS*.PPolyproline II helixtrans-55.1142.3173.670.6178.4-174.7172.90111T155 Y156 T162T155-K164 HydrophobicContact CG2-CB 4.12Å; T155-K164 HydrophobicContact CG2-CD 4.23Å; T155-K164 HydrophobicContact CG2-CG 4.48Å; Y156-K164 CarbonylContact O-C 3.54Å; Y156-K164 WeakPolarHBondContact O-CA 3.5Å; T162-K164 PolarHBondContact O-N 3.14Å
165V97.3Very high96.8Very high55 Ų5596.2 Ų96.233%0.33352%0.519SS..EExtended strand (participates in β ladder)trans-113.6121.2175.5-170.20000108.6T155 Y156 Y167T155-V165 CarbonylContact C-O 3.48Å; T155-V165 WeakPolarHBondContact CA-O 3.33Å; Y156-V165 PolarHBondContact N-O 2.89Å; Y156-V165 PolarHBondContact O-N 3.2Å; V165-Y167 HydrophobicContact CB-CE2 4.13Å; V165-Y167 HydrophobicContact CG1-CD2 4.27Å; V165-Y167 HydrophobicContact CG1-CE1 4.07Å; V165-Y167 HydrophobicContact CG1-CE2 3.54Å; V165-Y167 VanDerWaalsContact CG1-CZ 3.43Å; V165-Y167 WeakPolarHBondContact CG1-OH 3.44Å
166T97.9Very high96.7Very high54 Ų5494.9 Ų94.933%0.33152%0.519SS..EExtended strand (participates in β ladder)trans-110.4127.8178.3-61.10000109.3E153 T155E153-T166 HydrophobicContact CB-CG2 3.74Å; E153-T166 HydrophobicContact CG-CG2 4.18Å; T155-T166 WeakPolarHBondContact CG2-OG1 3.48Å; T155-T166 WeakPolarHBondContact OG1-CG2 3.33Å; T155-T166 PolarHBondContact OG1-OG1 3.05Å
167Y97.3Very high96.8Very high140 Ų14089.4 Ų89.455%0.54951%0.506SS..EExtended strand (participates in β ladder)trans-111.3130.6176.4-58.1-87.6000109.4E153 I154 V165 V169E153-Y167 CarbonylContact C-O 3.26Å; E153-Y167 VanDerWaalsContact CA-O 3.27Å; E153-Y167 WeakPolarHBondContact CA-O 3.49Å; I154-Y167 HydrophobicContact CG2-CD2 4.44Å; I154-Y167 PolarHBondContact N-O 3.14Å; I154-Y167 PolarHBondContact O-N 3.37Å; V165-Y167 HydrophobicContact CB-CE2 4.13Å; V165-Y167 HydrophobicContact CG1-CD2 4.27Å; V165-Y167 HydrophobicContact CG1-CE1 4.07Å; V165-Y167 HydrophobicContact CG1-CE2 3.54Å; V165-Y167 VanDerWaalsContact CG1-CZ 3.43Å; V165-Y167 WeakPolarHBondContact CG1-OH 3.44Å; Y167-V169 PolarHBondContact O-N 2.85Å
168L97.9Very high96.8Very high101 Ų10190 Ų9053%0.52951%0.509SS..EExtended strand (participates in β ladder)trans-69.5120.5168.7-17867.2000108.7K151 E153K151-L168 HydrophobicContact CB-CD1 4.12Å; K151-L168 HydrophobicContact CD-CD1 4.31Å; K151-L168 HydrophobicContact CG-CD1 4.19Å; E153-L168 HydrophobicContact CG-CD1 4.1Å
169V97.2Very high96.8Very high79 Ų7990 Ų9048%0.47951%0.51SS..EExtended strand (participates in β ladder)trans-80.8-54.4171.4178.90000108.6V152 I154 Y167V152-V169 HydrophobicContact CB-CB 4.43Å; V152-V169 HydrophobicContact CG1-CB 4.04Å; V152-V169 HydrophobicContact CG1-CG1 4.47Å; V152-V169 HydrophobicContact CG1-CG2 4.31Å; V152-V169 WeakPolarHBondContact O-CA 3.46Å; V152-V169 WeakPolarHBondContact O-CB 3.36Å; V152-V169 PolarHBondContact O-N 3.29Å; I154-V169 HydrophobicContact CB-CG2 3.91Å; I154-V169 HydrophobicContact CG2-CG2 3.74Å; Y167-V169 PolarHBondContact O-N 2.85Å
170H98Very high96.9Very high100 Ų10088.2 Ų88.246%0.46349%0.488SS..EExtended strand (participates in β ladder)trans-160.9152.6178.5-166.961.1000111.8V152 F172V152-H170 PolarHBondContact N-O 3.26Å; V152-H170 PolarHBondContact O-N 3.44Å; H170-F172 HydrophobicContact CB-CD2 4.46Å; H170-F172 HydrophobicContact CB-CE2 4.01Å; H170-F172 HydrophobicContact CB-CZ 4.5Å; H170-F172 AromaticContact CD2-CD1 3.96Å; H170-F172 AromaticContact CD2-CD2 3.77Å; H170-F172 AromaticContact CD2-CE1 3.97Å; H170-F172 AromaticContact CD2-CE2 3.77Å; H170-F172 AromaticContact CD2-CG 3.86Å; H170-F172 AromaticContact CD2-CZ 3.88Å
171N98Very high96.9Very high53 Ų5383.7 Ų83.728%0.28347%0.471SS..EExtended strand (participates in β ladder)trans-109.1106.9169-176.944.6000108.6K151 E173K151-N171 HydrophobicContact CG-CB 4.32Å; K151-N171 VanDerWaalsContact CG-OD1 3.23Å; K151-N171 WeakPolarHBondContact CG-OD1 3.4Å; N171-E173 WeakPolarHBondContact ND2-CG 3.46Å; N171-E173 PolarHBondContact ND2-OE1 3.05Å; N171-E173 PolarHBondContact O-N 2.92Å
172F98Very high97Very high27 Ų2783.8 Ų83.812%0.11845%0.453CS..EExtended strand (participates in β ladder)trans-79.1110.1176.4-66.3-96.9000109V146 P149 G150 V152 H170 G175V146-F172 HydrophobicContact CB-CE2 4.44Å; V146-F172 HydrophobicContact CB-CZ 4.38Å; V146-F172 HydrophobicContact CG1-CD1 4.44Å; V146-F172 HydrophobicContact CG1-CD2 3.99Å; V146-F172 HydrophobicContact CG1-CE2 4.24Å; V146-F172 HydrophobicContact CG1-CG 4.11Å; V146-F172 HydrophobicContact CG2-CD2 4.46Å; V146-F172 HydrophobicContact CG2-CE1 4.49Å; V146-F172 HydrophobicContact CG2-CE2 3.89Å; V146-F172 HydrophobicContact CG2-CZ 3.9Å; P149-F172 CarbonylContact C-O 3.41Å; P149-F172 WeakPolarHBondContact CA-O 3.31Å; P149-F172 WeakPolarHBondContact CB-O 3.36Å; G150-F172 PolarHBondContact N-O 2.87Å; G150-F172 WeakPolarHBondContact O-CB 3.48Å; G150-F172 PolarHBondContact O-N 3.1Å; V152-F172 HydrophobicContact CB-CE2 4.1Å; V152-F172 HydrophobicContact CG2-CD2 3.93Å; V152-F172 HydrophobicContact CG2-CE2 3.48Å; V152-F172 VanDerWaalsContact CG2-CE2 3.48Å; H170-F172 HydrophobicContact CB-CD2 4.46Å; H170-F172 HydrophobicContact CB-CE2 4.01Å; H170-F172 HydrophobicContact CB-CZ 4.5Å; H170-F172 AromaticContact CD2-CD1 3.96Å; H170-F172 AromaticContact CD2-CD2 3.77Å; H170-F172 AromaticContact CD2-CE1 3.97Å; H170-F172 AromaticContact CD2-CE2 3.77Å; H170-F172 AromaticContact CD2-CG 3.86Å; H170-F172 AromaticContact CD2-CZ 3.88Å; F172-G175 WeakPolarHBondContact CB-O 3.48Å
173E97.2Very high97.1Very high150 Ų15084 Ų8470%0.70145%0.445SS*.  trans-93.2-41.8-171.4-67.6-177.1-179.500113.9N171N171-E173 WeakPolarHBondContact ND2-CG 3.46Å; N171-E173 PolarHBondContact ND2-OE1 3.05Å; N171-E173 PolarHBondContact O-N 2.92Å
174E95Very high97.1Very high191 Ų19177.5 Ų77.589%0.89342%0.416SS*.SBendtrans-105.9-26.3-171.5-63.1-177.5176.400113.9
175G95.2Very high97Very high33 Ų3375.8 Ų75.834%0.3441%0.41SS..SBendtrans-157.1-172.8-172.800000112.9G148 F172G148-G175 CarbonylContact C-O 3.57Å; G148-G175 VanDerWaalsContact C-O 3.26Å; F172-G175 WeakPolarHBondContact CB-O 3.48Å
176G96.2Very high97Very high40 Ų4076.2 Ų76.241%0.41241%0.41SS..  trans-83.2-164.817400000112.9V146V146-G176 CarbonylContact O-C 3.56Å; V146-G176 WeakPolarHBondContact O-CA 3Å
177G97.5Very high96.9Very high29 Ų2979.1 Ų79.130%0.29942%0.418SS..EExtended strand (participates in β ladder)trans172.5-145.8177.800000111.8V145 V146V145-G177 WeakPolarHBondContact CA-O 3.23Å; V146-G177 PolarHBondContact N-O 2.99Å; V146-G177 PolarHBondContact O-N 3.39Å
178V98.1Very high96.8Very high114 Ų11473.4 Ų73.469%0.69140%0.399SS*.EExtended strand (participates in β ladder)trans-132.6149.1177-660000109.7F144F144-V178 WeakPolarHBondContact O-CA 3.35Å
179A97.9Very high96.8Very high13 Ų1368.8 Ų68.811%0.10737%0.374CS..EExtended strand (participates in β ladder)trans-135.5149.8173.700000109.9D143 F144 V146 V152D143-A179 VanDerWaalsContact CA-O 3.24Å; D143-A179 WeakPolarHBondContact CA-O 3.46Å; F144-A179 HydrophobicContact CD1-CB 4.43Å; F144-A179 HydrophobicContact CE1-CB 3.8Å; F144-A179 HydrophobicContact CZ-CB 3.85Å; F144-A179 PolarHBondContact N-O 3.28Å; F144-A179 PolarHBondContact O-N 2.9Å; F144-A179 VanDerWaalsContact O-N 3.09Å; V146-A179 HydrophobicContact CG2-CB 4.09Å; V152-A179 HydrophobicContact CG1-CB 3.85Å; V152-A179 HydrophobicContact CG2-CB 4.27Å
180M96.9Very high96.8Very high96 Ų9668.3 Ų68.347%0.47337%0.367SS..EExtended strand (participates in β ladder)trans-143.6135.3179.5-177.5178.562.800110.4Q138 A141 T142 D143 M182Q138-M180 HydrophobicContact CB-SD 4.26Å; A141-M180 HydrophobicContact CB-CG 3.51Å; A141-M180 HydrophobicContact CB-SD 3.63Å; T142-M180 CarbonylContact O-C 3.58Å; T142-M180 WeakPolarHBondContact O-CA 3.47Å; D143-M180 HydrophobicContact CB-CB 4.13Å; D143-M180 HydrophobicContact CB-CG 4.12Å; M180-M182 HydrophobicContact CE-CE 4.01Å
181G96.5Very high96.6Very high27 Ų2764.9 Ų64.928%0.27835%0.352SS..EExtended strand (participates in β ladder)trans-117125.4168.400000110.5A141 T142A141-G181 CarbonylContact C-O 3.59Å; A141-G181 WeakPolarHBondContact CA-O 3.46Å; A141-G181 VanDerWaalsContact CB-O 3.31Å; A141-G181 WeakPolarHBondContact CB-O 3.37Å; T142-G181 PolarHBondContact N-O 2.75Å; T142-G181 PolarHBondContact O-N 3.15Å
182M96.1Very high96.6Very high71 Ų7162.4 Ų62.435%0.3534%0.339SS..  trans-122.6159176.768.7-178.9127.800111.4A141 M180 Y219A141-M182 HydrophobicContact CB-CB 3.95Å; M180-M182 HydrophobicContact CE-CE 4.01Å; M182-Y219 HydrophobicContact CG-CE2 4.13Å
183Y96.6Very high96.5Very high87 Ų8761.1 Ų61.134%0.34133%0.333SS..  trans-143.6162.2-176.870.9-85.2000111.3Y135 G136 D137 R140 Y219Y135-Y183 HydrophobicContact CE1-CE2 4.34Å; G136-Y183 WeakPolarHBondContact CA-O 3.21Å; D137-Y183 PolarHBondContact N-O 2.99Å; R140-Y183 HydrophobicContact CB-CE1 4.14Å; R140-Y183 PolarHBondContact NE-OH 3.46Å; R140-Y183 PolarHBondContact NH1-OH 2.64Å; R140-Y183 WeakPolarHBondContact O-CE1 3.26Å; Y183-Y219 PolarHBondContact O-OH 3.3Å; Y183-Y219 VanDerWaalsContact O-OH 3.05Å
184N96.7Very high96.5Very high32 Ų3256 Ų5617%0.17131%0.309CS..  trans-142.4170.2164.9-132.7-56.1000110.3H133 Y135 D137 I189 F223H133-N184 PolarHBondContact CE1-ND2 3.36Å; H133-N184 PolarHBondContact CE1-OD1 2.87Å; Y135-N184 VanDerWaalsContact CD1-OD1 3.27Å; Y135-N184 WeakPolarHBondContact CD1-OD1 3.41Å; Y135-N184 PolarHBondContact O-ND2 2.78Å; D137-N184 PolarHBondContact OD1-ND2 3.34Å; N184-I189 HydrophobicContact CB-CD1 4.4Å; N184-F223 HydrophobicContact CB-CE2 4.13Å; N184-F223 HydrophobicContact CB-CZ 4.31Å
185Q96Very high96.6Very high99 Ų9947.2 Ų47.246%0.46327%0.269SS..  trans-120.9136.5-179.5-64.7-173.7300110.1Y135 K187 S188 I189Y135-Q185 HydrophobicContact CE1-CB 4.28Å; Y135-Q185 HydrophobicContact CE1-CG 4.08Å; Y135-Q185 PolarHBondContact OH-NE2 3.28Å; Q185-K187 VanDerWaalsContact C-N 3.28Å; Q185-K187 PolarHBondContact O-N 3.14Å; Q185-S188 WeakPolarHBondContact O-CB 3.5Å; Q185-S188 PolarHBondContact O-N 3.41Å; Q185-I189 WeakPolarHBondContact O-CG1 3.32Å; Q185-I189 PolarHBondContact O-N 3.48Å
186D97.8Very high96.7Very high64 Ų6445.6 Ų45.634%0.34225%0.252SS..Hα-helixtrans-51.4-48.4177.1-73.7-10.9000111.4S188 I189 E190 R222 I226D186-S188 VanDerWaalsContact C-N 3.27Å; D186-S188 PolarHBondContact O-N 3Å; D186-I189 CarbonylContact O-C 3.59Å; D186-I189 WeakPolarHBondContact O-CA 3.47Å; D186-I189 WeakPolarHBondContact O-CB 3.2Å; D186-I189 PolarHBondContact O-N 2.85Å; D186-E190 VanDerWaalsContact O-CG 3.3Å; D186-E190 WeakPolarHBondContact O-CG 3.39Å; D186-E190 PolarHBondContact O-N 2.77Å; D186-R222 WeakPolarHBondContact OD1-CG 3.48Å; D186-R222 IonicContact OD1-CZ 2.74Å; D186-R222 IonicContact OD1-NE 2.67Å; D186-R222 PolarHBondContact OD1-NE 2.86Å; D186-R222 IonicContact OD1-NH2 2.64Å; D186-R222 IonicContact OD2-CZ 2.75Å; D186-R222 IonicContact OD2-NE 3.08Å; D186-R222 PolarHBondContact OD2-NE 2.89Å; D186-R222 IonicContact OD2-NH2 3.16Å; D186-R222 PolarHBondContact OD2-NH2 3.49Å; D186-I226 HydrophobicContact CB-CD1 4.02Å
187K95.5Very high96.8Very high116 Ų11643.7 Ų43.750%0.50423%0.233SC..Hα-helixtrans-55.3-40.5177.3179.854.5-178.8156.40113.2Q185 E190 D191Q185-K187 VanDerWaalsContact C-N 3.28Å; Q185-K187 PolarHBondContact O-N 3.14Å; K187-E190 PolarHBondContact O-N 3.39Å; K187-D191 WeakPolarHBondContact CE-OD1 3.35Å; K187-D191 WeakPolarHBondContact CE-OD2 3.31Å; K187-D191 IonicContact NZ-OD1 3.88Å; K187-D191 PolarHBondContact NZ-OD1 3.4Å; K187-D191 IonicContact NZ-OD2 2.88Å; K187-D191 WeakPolarHBondContact O-CB 3.31Å; K187-D191 PolarHBondContact O-N 3.26Å
188S94.5Very high96.7Very high19 Ų1946.8 Ų46.813%0.13324%0.239CC..Hα-helixtrans-69-36178.1-171.90000112.1H133 Y135 Q185 D186 F192H133-S188 PolarHBondContact NE2-O 2.89Å; H133-S188 PolarHBondContact NE2-OG 3.13Å; Y135-S188 WeakPolarHBondContact CB-OG 3.44Å; Y135-S188 WeakPolarHBondContact CD1-OG 3.48Å; Y135-S188 VanDerWaalsContact CG-OG 3.29Å; Q185-S188 WeakPolarHBondContact O-CB 3.5Å; Q185-S188 PolarHBondContact O-N 3.41Å; D186-S188 VanDerWaalsContact C-N 3.27Å; D186-S188 PolarHBondContact O-N 3Å; S188-F192 WeakPolarHBondContact O-CB 3.35Å; S188-F192 PolarHBondContact O-N 2.55Å
189I97.3Very high96.6Very high4 Ų443.1 Ų43.12%0.02122%0.215CC..Hα-helixtrans-69.2-41.5175.6-60.8169.7000110.4N184 Q185 D186 F192 A193 R222 F223 I226 F227N184-I189 HydrophobicContact CB-CD1 4.4Å; Q185-I189 WeakPolarHBondContact O-CG1 3.32Å; Q185-I189 PolarHBondContact O-N 3.48Å; D186-I189 CarbonylContact O-C 3.59Å; D186-I189 WeakPolarHBondContact O-CA 3.47Å; D186-I189 WeakPolarHBondContact O-CB 3.2Å; D186-I189 PolarHBondContact O-N 2.85Å; I189-F192 WeakPolarHBondContact O-CB 3.46Å; I189-F192 PolarHBondContact O-N 3.31Å; I189-A193 WeakPolarHBondContact O-CB 3.4Å; I189-A193 PolarHBondContact O-N 2.8Å; I189-R222 HydrophobicContact CD1-CG 4.43Å; I189-F223 HydrophobicContact CD1-CD1 4.36Å; I189-F223 HydrophobicContact CD1-CD2 3.65Å; I189-F223 HydrophobicContact CD1-CE1 4.31Å; I189-F223 HydrophobicContact CD1-CE2 3.58Å; I189-F223 HydrophobicContact CD1-CG 4.07Å; I189-F223 HydrophobicContact CD1-CZ 3.94Å; I189-F223 HydrophobicContact CG1-CD1 4.08Å; I189-F223 HydrophobicContact CG1-CD2 4.21Å; I189-F223 HydrophobicContact CG1-CE1 3.79Å; I189-F223 HydrophobicContact CG1-CE2 3.92Å; I189-F223 HydrophobicContact CG1-CG 4.29Å; I189-F223 HydrophobicContact CG1-CZ 3.71Å; I189-F223 HydrophobicContact CG2-CB 4.47Å; I189-F223 HydrophobicContact CG2-CD1 3.85Å; I189-F223 HydrophobicContact CG2-CE1 4.3Å; I189-F223 HydrophobicContact CG2-CG 4.11Å; I189-I226 HydrophobicContact CB-CD1 4.04Å; I189-I226 HydrophobicContact CB-CG2 4.47Å; I189-I226 HydrophobicContact CD1-CD1 4.21Å; I189-I226 HydrophobicContact CG2-CB 3.92Å; I189-I226 HydrophobicContact CG2-CD1 3.92Å; I189-I226 HydrophobicContact CG2-CG2 3.81Å; I189-F227 HydrophobicContact CG2-CD2 4.25Å; I189-F227 HydrophobicContact CG2-CE2 4.27Å
190E97Very high96.7Very high70 Ų7042.5 Ų42.533%0.32721%0.21SC..Hα-helixtrans-59.8-48.6175.4-68.6168.7-177.700111.1D186 K187 F192 A193 H194 I226 I230D186-E190 VanDerWaalsContact O-CG 3.3Å; D186-E190 WeakPolarHBondContact O-CG 3.39Å; D186-E190 PolarHBondContact O-N 2.77Å; K187-E190 PolarHBondContact O-N 3.39Å; E190-F192 VanDerWaalsContact C-N 3.29Å; E190-F192 PolarHBondContact O-N 2.96Å; E190-A193 WeakPolarHBondContact O-CB 3.39Å; E190-A193 PolarHBondContact O-N 3.04Å; E190-A193 VanDerWaalsContact O-N 3.11Å; E190-H194 PolarHBondContact O-CD2 3.21Å; E190-H194 PolarHBondContact O-N 3Å; E190-I226 HydrophobicContact CB-CG2 4.43Å; E190-I226 HydrophobicContact CG-CG2 3.72Å; E190-I230 HydrophobicContact CB-CD1 3.97Å; E190-I230 HydrophobicContact CG-CD1 4.05Å
191D95.2Very high96.7Very high27 Ų2739.1 Ų39.114%0.14419%0.194CC..Hα-helixtrans-61.9-38.8178.1-72.5-18.7000112K187 S195 P298K187-D191 WeakPolarHBondContact CE-OD1 3.35Å; K187-D191 WeakPolarHBondContact CE-OD2 3.31Å; K187-D191 IonicContact NZ-OD1 3.88Å; K187-D191 PolarHBondContact NZ-OD1 3.4Å; K187-D191 IonicContact NZ-OD2 2.88Å; K187-D191 WeakPolarHBondContact O-CB 3.31Å; K187-D191 PolarHBondContact O-N 3.26Å; D191-S195 WeakPolarHBondContact O-CB 3.36Å; D191-S195 PolarHBondContact O-N 3.04Å; D191-S195 PolarHBondContact O-OG 3.05Å; D191-P298 HydrophobicContact CB-CB 3.9Å; D191-P298 HydrophobicContact CB-CG 3.72Å; D191-P298 WeakPolarHBondContact OD2-CG 3.49Å
192F96.9Very high96.6Very high2 Ų242.6 Ų42.61%0.00921%0.214CC..Hα-helixtrans-63.4-41.9172.9174.2-137.8000112.1T106 G131 H133 S188 I189 E190 S196 L209 F223 F227 A268 C269T106-F192 HydrophobicContact CG2-CD2 3.57Å; T106-F192 HydrophobicContact CG2-CE2 3.65Å; T106-F192 WeakPolarHBondContact OG1-CD2 3.27Å; G131-F192 WeakPolarHBondContact O-CE2 3.36Å; G131-F192 WeakPolarHBondContact O-CZ 3.38Å; H133-F192 HydrophobicContact CB-CD1 3.6Å; H133-F192 HydrophobicContact CB-CD2 4.13Å; H133-F192 HydrophobicContact CB-CE1 3.64Å; H133-F192 HydrophobicContact CB-CE2 4.16Å; H133-F192 HydrophobicContact CB-CG 3.86Å; H133-F192 HydrophobicContact CB-CZ 3.91Å; H133-F192 AromaticContact CD2-CD1 3.98Å; H133-F192 AromaticContact CD2-CG 3.75Å; H133-F192 AromaticContact CG-CD1 3.72Å; H133-F192 AromaticContact CG-CG 3.92Å; S188-F192 WeakPolarHBondContact O-CB 3.35Å; S188-F192 PolarHBondContact O-N 2.55Å; I189-F192 WeakPolarHBondContact O-CB 3.46Å; I189-F192 PolarHBondContact O-N 3.31Å; E190-F192 VanDerWaalsContact C-N 3.29Å; E190-F192 PolarHBondContact O-N 2.96Å; F192-S196 WeakPolarHBondContact CD2-OG 3.37Å; F192-S196 WeakPolarHBondContact CE2-OG 3.33Å; F192-S196 WeakPolarHBondContact O-CB 3.17Å; F192-S196 PolarHBondContact O-N 2.96Å; F192-S196 PolarHBondContact O-OG 2.92Å; F192-L209 HydrophobicContact CE1-CD1 4.16Å; F192-F223 HydrophobicContact CD1-CE1 4.31Å; F192-F227 AromaticContact CD1-CE2 3.53Å; F192-F227 HydrophobicContact CD1-CE2 3.53Å; F192-F227 AromaticContact CD1-CZ 3.45Å; F192-F227 HydrophobicContact CD1-CZ 3.45Å; F192-F227 VanDerWaalsContact CD1-CZ 3.45Å; F192-F227 HydrophobicContact CD2-CZ 4.45Å; F192-F227 AromaticContact CE1-CE2 3.9Å; F192-F227 HydrophobicContact CE1-CE2 3.9Å; F192-F227 AromaticContact CE1-CZ 3.54Å; F192-F227 HydrophobicContact CE1-CZ 3.54Å; F192-F227 HydrophobicContact CG-CE2 4.22Å; F192-F227 AromaticContact CG-CZ 3.94Å; F192-F227 HydrophobicContact CG-CZ 3.94Å; F192-F227 HydrophobicContact CZ-CZ 4.12Å; F192-A268 HydrophobicContact CE1-CB 4.25Å; F192-A268 HydrophobicContact CE2-CB 4.07Å; F192-A268 HydrophobicContact CZ-CB 3.53Å; F192-C269 WeakPolarHBondContact CZ-O 3.34Å
193A97.6Very high96.6Very high0 Ų042.6 Ų42.60%021%0.212CC..Hα-helixtrans-62.2-52.3176.400000110.9I189 E190 S195 S196 F197 F227 I230I189-A193 WeakPolarHBondContact O-CB 3.4Å; I189-A193 PolarHBondContact O-N 2.8Å; E190-A193 WeakPolarHBondContact O-CB 3.39Å; E190-A193 PolarHBondContact O-N 3.04Å; E190-A193 VanDerWaalsContact O-N 3.11Å; A193-S195 PolarHBondContact O-N 3.29Å; A193-S196 PolarHBondContact O-N 3.16Å; A193-S196 VanDerWaalsContact O-N 3.14Å; A193-F197 HydrophobicContact CB-CD2 4.28Å; A193-F197 HydrophobicContact CB-CE2 3.95Å; A193-F197 WeakPolarHBondContact O-CD2 3.35Å; A193-F197 WeakPolarHBondContact O-CG 3.48Å; A193-F197 PolarHBondContact O-N 3.36Å; A193-F227 VanDerWaalsContact CA-CZ 3.4Å; A193-F227 HydrophobicContact CB-CD1 4.01Å; A193-F227 HydrophobicContact CB-CD2 3.58Å; A193-F227 HydrophobicContact CB-CE1 4.01Å; A193-F227 HydrophobicContact CB-CE2 3.58Å; A193-F227 HydrophobicContact CB-CG 3.8Å; A193-F227 HydrophobicContact CB-CZ 3.8Å; A193-I230 HydrophobicContact CB-CD1 3.73Å
194H96.4Very high96.7Very high43 Ų4340 Ų4020%0.19921%0.211CC..Hα-helixtrans-55.3-48.9178.3-78.9-62.9000112.6E190 S196 F197 Q198 Q234 Y235E190-H194 PolarHBondContact O-CD2 3.21Å; E190-H194 PolarHBondContact O-N 3Å; H194-S196 VanDerWaalsContact C-N 3.31Å; H194-S196 PolarHBondContact O-N 3.3Å; H194-F197 PolarHBondContact O-N 3.47Å; H194-Q198 WeakPolarHBondContact O-CB 3.3Å; H194-Q198 VanDerWaalsContact O-CG 3.24Å; H194-Q198 WeakPolarHBondContact O-CG 3.47Å; H194-Q198 PolarHBondContact O-N 2.97Å; H194-Q234 PolarHBondContact CE1-OE1 2.86Å; H194-Y235 AromaticContact CE1-CE2 3.91Å; H194-Y235 AromaticContact ND1-CE2 3.41Å; H194-Y235 WeakPolarHBondContact ND1-CE2 3.42Å; H194-Y235 AromaticContact ND1-CZ 3.58Å; H194-Y235 PolarHBondContact ND1-OH 2.85Å
195S96.2Very high96.8Very high5 Ų541 Ų414%0.03521%0.213CC..Hα-helixtrans-59.3-43.9177.7-56.40000111.3T106 F108 D191 A193 Q198 M199T106-S195 VanDerWaalsContact OG1-CB 3.28Å; T106-S195 WeakPolarHBondContact OG1-CB 3.36Å; T106-S195 PolarHBondContact OG1-OG 3.49Å; F108-S195 WeakPolarHBondContact CZ-O 3.24Å; D191-S195 WeakPolarHBondContact O-CB 3.36Å; D191-S195 PolarHBondContact O-N 3.04Å; D191-S195 PolarHBondContact O-OG 3.05Å; A193-S195 PolarHBondContact O-N 3.29Å; S195-Q198 PolarHBondContact O-N 3.48Å; S195-M199 WeakPolarHBondContact O-CB 3.28Å; S195-M199 PolarHBondContact O-N 2.79Å
196S97.8Very high96.9Very high0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-66.7-43.2-178.7-57.20000112.2F192 A193 H194 M199 A200F192-S196 WeakPolarHBondContact CD2-OG 3.37Å; F192-S196 WeakPolarHBondContact CE2-OG 3.33Å; F192-S196 WeakPolarHBondContact O-CB 3.17Å; F192-S196 PolarHBondContact O-N 2.96Å; F192-S196 PolarHBondContact O-OG 2.92Å; A193-S196 PolarHBondContact O-N 3.16Å; A193-S196 VanDerWaalsContact O-N 3.14Å; H194-S196 VanDerWaalsContact C-N 3.31Å; H194-S196 PolarHBondContact O-N 3.3Å; S196-M199 PolarHBondContact O-N 2.87Å; S196-A200 WeakPolarHBondContact O-CB 3.02Å; S196-A200 PolarHBondContact O-N 2.89Å
197F98.3Very high97Very high0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-66.2-41176.5-70.1-59.6000112.2A193 H194 A200 L201 L207 F227 I230 Y231 Y235 F239 Y246A193-F197 HydrophobicContact CB-CD2 4.28Å; A193-F197 HydrophobicContact CB-CE2 3.95Å; A193-F197 WeakPolarHBondContact O-CD2 3.35Å; A193-F197 WeakPolarHBondContact O-CG 3.48Å; A193-F197 PolarHBondContact O-N 3.36Å; H194-F197 PolarHBondContact O-N 3.47Å; F197-A200 PolarHBondContact O-N 3.12Å; F197-L201 WeakPolarHBondContact O-CG 3.24Å; F197-L201 PolarHBondContact O-N 3.14Å; F197-L207 HydrophobicContact CD1-CD2 3.37Å; F197-L207 HydrophobicContact CE1-CD2 3.49Å; F197-L207 VanDerWaalsContact CE1-CD2 3.49Å; F197-L207 HydrophobicContact CG-CD2 4.03Å; F197-L207 HydrophobicContact CZ-CD2 4.21Å; F197-F227 HydrophobicContact CE2-CD1 4.19Å; F197-F227 HydrophobicContact CZ-CD1 4.01Å; F197-F227 WeakPolarHBondContact CZ-O 3.46Å; F197-I230 HydrophobicContact CD2-CG2 3.84Å; F197-I230 HydrophobicContact CE2-CB 4.2Å; F197-I230 HydrophobicContact CE2-CG2 3.72Å; F197-Y231 HydrophobicContact CD1-CD2 4.33Å; F197-Y231 AromaticContact CE1-CD2 3.74Å; F197-Y231 HydrophobicContact CE1-CD2 3.74Å; F197-Y231 HydrophobicContact CE1-CG 4.25Å; F197-Y231 HydrophobicContact CZ-CD2 4.33Å; F197-Y231 HydrophobicContact CZ-CG 4.41Å; F197-Y235 HydrophobicContact CB-CD1 3.58Å; F197-Y235 HydrophobicContact CB-CD2 3.89Å; F197-Y235 HydrophobicContact CB-CE1 3.61Å; F197-Y235 HydrophobicContact CB-CE2 3.92Å; F197-Y235 HydrophobicContact CB-CG 3.7Å; F197-Y235 HydrophobicContact CD1-CG 4.37Å; F197-Y235 AromaticContact CD2-CD2 3.61Å; F197-Y235 HydrophobicContact CD2-CD2 3.61Å; F197-Y235 AromaticContact CD2-CE2 3.78Å; F197-Y235 HydrophobicContact CD2-CE2 3.78Å; F197-Y235 HydrophobicContact CD2-CG 4.16Å; F197-Y235 HydrophobicContact CE2-CD2 4.34Å; F197-Y235 HydrophobicContact CG-CD1 4.26Å; F197-Y235 AromaticContact CG-CD2 3.8Å; F197-Y235 HydrophobicContact CG-CD2 3.8Å; F197-Y235 HydrophobicContact CG-CE2 4.13Å; F197-Y235 AromaticContact CG-CG 3.85Å; F197-Y235 HydrophobicContact CG-CG 3.85Å; F197-F239 HydrophobicContact CB-CE2 4.22Å; F197-F239 HydrophobicContact CB-CZ 4.36Å; F197-F239 HydrophobicContact CD1-CE1 4.34Å; F197-F239 AromaticContact CD1-CE2 3.89Å; F197-F239 HydrophobicContact CD1-CE2 3.89Å; F197-F239 AromaticContact CD1-CZ 3.58Å; F197-F239 HydrophobicContact CD1-CZ 3.58Å; F197-F239 HydrophobicContact CE1-CZ 4.43Å; F197-F239 HydrophobicContact CG-CZ 4.45Å; F197-Y246 HydrophobicContact CE1-CD1 4.18Å; F197-Y246 AromaticContact CE1-CD2 3.69Å; F197-Y246 HydrophobicContact CE1-CD2 3.69Å; F197-Y246 HydrophobicContact CE1-CE2 4.31Å; F197-Y246 AromaticContact CE1-CG 3.62Å; F197-Y246 HydrophobicContact CE1-CG 3.62Å; F197-Y246 HydrophobicContact CZ-CD1 4.28Å; F197-Y246 HydrophobicContact CZ-CD2 4.09Å; F197-Y246 HydrophobicContact CZ-CE1 4.46Å; F197-Y246 HydrophobicContact CZ-CE2 4.28Å; F197-Y246 HydrophobicContact CZ-CG 4.11Å
198Q96.1Very high97.1Very high93 Ų9329.4 Ų29.444%0.43516%0.159SC..Hα-helixtrans-64-40.6176-74.1171.4-12.400111.9H194 S195 L201 S202 Y235H194-Q198 WeakPolarHBondContact O-CB 3.3Å; H194-Q198 VanDerWaalsContact O-CG 3.24Å; H194-Q198 WeakPolarHBondContact O-CG 3.47Å; H194-Q198 PolarHBondContact O-N 2.97Å; S195-Q198 PolarHBondContact O-N 3.48Å; Q198-L201 PolarHBondContact O-N 3.25Å; Q198-S202 WeakPolarHBondContact O-CB 3.33Å; Q198-S202 PolarHBondContact O-N 3.03Å; Q198-Y235 HydrophobicContact CG-CE1 4.29Å
199M96.3Very high97.3Very high37 Ų3728.5 Ų28.518%0.18215%0.153CC..Hα-helixtrans-61.1-45174.4-177.458.469.600111.5F108 I129 S195 S196 L201 S202 K203 I266F108-M199 HydrophobicContact CB-CE 4.14Å; F108-M199 HydrophobicContact CD1-CB 4.34Å; F108-M199 HydrophobicContact CD1-CE 4.06Å; F108-M199 HydrophobicContact CD1-CG 3.93Å; F108-M199 HydrophobicContact CD2-CE 3.68Å; F108-M199 HydrophobicContact CE1-CB 3.73Å; F108-M199 HydrophobicContact CE1-CE 4.4Å; F108-M199 HydrophobicContact CE1-CG 3.81Å; F108-M199 HydrophobicContact CE2-CB 4.48Å; F108-M199 HydrophobicContact CE2-CE 4.03Å; F108-M199 HydrophobicContact CG-CE 3.68Å; F108-M199 HydrophobicContact CZ-CB 3.81Å; F108-M199 HydrophobicContact CZ-CE 4.38Å; F108-M199 HydrophobicContact CZ-CG 4.29Å; I129-M199 HydrophobicContact CG2-CG 4.42Å; S195-M199 WeakPolarHBondContact O-CB 3.28Å; S195-M199 PolarHBondContact O-N 2.79Å; S196-M199 PolarHBondContact O-N 2.87Å; M199-L201 PolarHBondContact O-N 3.12Å; M199-S202 PolarHBondContact O-N 3.29Å; M199-K203 WeakPolarHBondContact O-CG 3.36Å; M199-K203 PolarHBondContact O-N 2.92Å; M199-K203 HydrophobicContact SD-CG 4.1Å; M199-I266 HydrophobicContact CG-CD1 3.82Å; M199-I266 HydrophobicContact CG-CG1 4.29Å; M199-I266 HydrophobicContact CG-CG2 4.43Å
200A98.2Very high97.4Very high0 Ų028.3 Ų28.30%015%0.152CC..Hα-helixtrans-60.4-45.4177.200000112.5S196 F197 S202 K203 G204 W205 L207 F239 I266S196-A200 WeakPolarHBondContact O-CB 3.02Å; S196-A200 PolarHBondContact O-N 2.89Å; F197-A200 PolarHBondContact O-N 3.12Å; A200-S202 VanDerWaalsContact C-N 3.35Å; A200-S202 PolarHBondContact O-N 3.32Å; A200-K203 PolarHBondContact O-N 3.17Å; A200-G204 WeakPolarHBondContact O-CA 3.26Å; A200-G204 PolarHBondContact O-N 3.39Å; A200-W205 WeakPolarHBondContact CB-O 3.21Å; A200-W205 PolarHBondContact O-N 2.86Å; A200-W205 VanDerWaalsContact O-N 3.1Å; A200-L207 HydrophobicContact CB-CB 3.97Å; A200-F239 HydrophobicContact CB-CE1 4.16Å; A200-F239 HydrophobicContact CB-CZ 3.64Å; A200-I266 HydrophobicContact CB-CG1 3.82Å
201L98Very high97.4Very high25 Ų2525 Ų2513%0.13114%0.136CC..Hα-helixtrans-64.1-37.6174.6-74.6171.1000113.1F197 Q198 M199 K203 Y235 Q238 F239 Q242 I244F197-L201 WeakPolarHBondContact O-CG 3.24Å; F197-L201 PolarHBondContact O-N 3.14Å; Q198-L201 PolarHBondContact O-N 3.25Å; M199-L201 PolarHBondContact O-N 3.12Å; L201-K203 VanDerWaalsContact C-N 3.31Å; L201-Y235 HydrophobicContact CD1-CD1 3.73Å; L201-Y235 HydrophobicContact CD1-CE1 4.07Å; L201-Q238 HydrophobicContact CD1-CB 4.07Å; L201-Q238 HydrophobicContact CD2-CB 3.74Å; L201-F239 HydrophobicContact CD1-CD2 4.5Å; L201-F239 HydrophobicContact CD1-CE2 4.19Å; L201-F239 HydrophobicContact CD2-CD2 3.76Å; L201-F239 HydrophobicContact CD2-CE2 3.93Å; L201-F239 HydrophobicContact CG-CD2 4.02Å; L201-F239 HydrophobicContact CG-CE2 3.67Å; L201-Q242 PolarHBondContact O-NE2 3.49Å; L201-Q242 PolarHBondContact O-OE1 3.1Å; L201-I244 HydrophobicContact CD2-CD1 4.28Å
202S95Very high97.5Very high101 Ų10126.4 Ų26.471%0.70614%0.141SC*.Hα-helixtrans-68-32.4178-176.10000112.3Q198 M199 A200Q198-S202 WeakPolarHBondContact O-CB 3.33Å; Q198-S202 PolarHBondContact O-N 3.03Å; M199-S202 PolarHBondContact O-N 3.29Å; A200-S202 VanDerWaalsContact C-N 3.35Å; A200-S202 PolarHBondContact O-N 3.32Å
203K96.3Very high97.5Very high71 Ų7127.6 Ų27.631%0.30915%0.147SC..Hα-helixtrans-90.9-17.8179.2-68-77.2-178.3162.20112.8E110 I129 M199 A200 L201 W205 I266E110-K203 IonicContact OE1-NZ 2.88Å; E110-K203 PolarHBondContact OE1-NZ 3.22Å; E110-K203 IonicContact OE2-NZ 3.43Å; E110-K203 PolarHBondContact OE2-NZ 2.86Å; I129-K203 HydrophobicContact CD1-CD 3.83Å; I129-K203 VanDerWaalsContact CD1-CE 3.44Å; I129-K203 HydrophobicContact CD1-CG 3.85Å; M199-K203 WeakPolarHBondContact O-CG 3.36Å; M199-K203 PolarHBondContact O-N 2.92Å; M199-K203 HydrophobicContact SD-CG 4.1Å; A200-K203 PolarHBondContact O-N 3.17Å; L201-K203 VanDerWaalsContact C-N 3.31Å; K203-W205 VanDerWaalsContact C-N 3.34Å; K203-W205 HydrophobicContact CB-CB 4.3Å; K203-W205 HydrophobicContact CB-CD2 3.87Å; K203-W205 HydrophobicContact CB-CE3 3.98Å; K203-W205 HydrophobicContact CB-CG 4.06Å; K203-W205 HydrophobicContact CB-CZ3 4.47Å; K203-W205 HydrophobicContact CD-CH2 4.21Å; K203-W205 HydrophobicContact CD-CZ3 4.2Å; K203-W205 HydrophobicContact CG-CE3 4.38Å; K203-W205 HydrophobicContact CG-CZ3 4.48Å; K203-W205 PolarHBondContact O-NE1 2.95Å; K203-I266 HydrophobicContact CB-CD1 4.42Å; K203-I266 HydrophobicContact CG-CD1 4.27Å
204G98.1Very high97.4Very high32 Ų3231 Ų3133%0.3317%0.168SC..THydrogen-bonded Turntrans65.736.7-171.700000112.3A200 I244A200-G204 WeakPolarHBondContact O-CA 3.26Å; A200-G204 PolarHBondContact O-N 3.39Å; G204-I244 VanDerWaalsContact O-CG2 3.32Å; G204-I244 WeakPolarHBondContact O-CG2 3.42Å
205W98.3Very high97.4Very high54 Ų5434.9 Ų34.921%0.20519%0.189CC..  trans-122.2152.4-175.8-68.1-12.2000112.4P127 I129 A200 K203 I244 I266P127-W205 HydrophobicContact CG-CH2 3.37Å; P127-W205 HydrophobicContact CG-CZ2 4.33Å; P127-W205 HydrophobicContact CG-CZ3 3.84Å; I129-W205 HydrophobicContact CD1-CE3 4.18Å; I129-W205 HydrophobicContact CD1-CZ3 3.64Å; I129-W205 HydrophobicContact CG1-CZ3 3.95Å; A200-W205 WeakPolarHBondContact CB-O 3.21Å; A200-W205 PolarHBondContact O-N 2.86Å; A200-W205 VanDerWaalsContact O-N 3.1Å; K203-W205 VanDerWaalsContact C-N 3.34Å; K203-W205 HydrophobicContact CB-CB 4.3Å; K203-W205 HydrophobicContact CB-CD2 3.87Å; K203-W205 HydrophobicContact CB-CE3 3.98Å; K203-W205 HydrophobicContact CB-CG 4.06Å; K203-W205 HydrophobicContact CB-CZ3 4.47Å; K203-W205 HydrophobicContact CD-CH2 4.21Å; K203-W205 HydrophobicContact CD-CZ3 4.2Å; K203-W205 HydrophobicContact CG-CE3 4.38Å; K203-W205 HydrophobicContact CG-CZ3 4.48Å; K203-W205 PolarHBondContact O-NE1 2.95Å; W205-I244 WeakPolarHBondContact O-CD1 3.23Å; W205-I266 HydrophobicContact CE3-CD1 4.12Å
206P98.6Very high97.4Very high15 Ų1538 Ų3810%0.09721%0.205CC..  trans-63.3152.7174.127.8-35.2000112Y208 W245 F265 I266P206-Y208 HydrophobicContact CB-CE2 4.15Å; P206-Y208 HydrophobicContact CG-CE2 4.19Å; P206-W245 VanDerWaalsContact CA-O 3.28Å; P206-W245 WeakPolarHBondContact CA-O 3.41Å; P206-W245 HydrophobicContact CB-CD2 3.73Å; P206-W245 HydrophobicContact CB-CE3 4.01Å; P206-W245 HydrophobicContact CB-CG 4.27Å; P206-W245 HydrophobicContact CB-CH2 4.08Å; P206-W245 HydrophobicContact CB-CZ2 3.82Å; P206-W245 HydrophobicContact CB-CZ3 4.17Å; P206-W245 HydrophobicContact CG-CH2 3.92Å; P206-W245 HydrophobicContact CG-CZ2 3.93Å; P206-W245 HydrophobicContact CG-CZ3 4.27Å; P206-F265 HydrophobicContact CG-CB 3.96Å; P206-F265 WeakPolarHBondContact O-CA 3.32Å; P206-F265 WeakPolarHBondContact O-CB 3.38Å; P206-I266 PolarHBondContact O-N 3.04Å
207L98.8Very high97.3Very high0 Ų045.5 Ų45.50%024%0.238CC..EExtended strand (participates in β ladder)trans-114131.5177.5173.964.9000110.7F197 A200 F239 W245 Y246 E247 I266 A268F197-L207 HydrophobicContact CD1-CD2 3.37Å; F197-L207 HydrophobicContact CE1-CD2 3.49Å; F197-L207 VanDerWaalsContact CE1-CD2 3.49Å; F197-L207 HydrophobicContact CG-CD2 4.03Å; F197-L207 HydrophobicContact CZ-CD2 4.21Å; A200-L207 HydrophobicContact CB-CB 3.97Å; L207-F239 HydrophobicContact CB-CE1 4.2Å; L207-F239 HydrophobicContact CB-CZ 4.46Å; L207-W245 PolarHBondContact N-O 3.12Å; L207-Y246 HydrophobicContact CB-CD2 4.31Å; L207-Y246 HydrophobicContact CD2-CD2 3.95Å; L207-Y246 HydrophobicContact CD2-CE2 4.48Å; L207-Y246 HydrophobicContact CG-CD2 3.98Å; L207-Y246 WeakPolarHBondContact O-CA 3.38Å; L207-E247 PolarHBondContact O-N 2.65Å; L207-I266 WeakPolarHBondContact CA-O 3.34Å; L207-I266 HydrophobicContact CD1-CB 3.66Å; L207-I266 HydrophobicContact CD1-CG2 3.6Å; L207-A268 HydrophobicContact CD1-CB 3.97Å
208Y98.8Very high97.3Very high19 Ų1954.3 Ų54.38%0.07528%0.276CS..EExtended strand (participates in β ladder)trans-116.2120170.7-60.9-86.5000110.6P206 W245 E247 R249 M254 F265 I266 W267 A268P206-Y208 HydrophobicContact CB-CE2 4.15Å; P206-Y208 HydrophobicContact CG-CE2 4.19Å; Y208-W245 AromaticContact CE1-NE1 3.94Å; Y208-W245 AromaticContact CZ-NE1 3.69Å; Y208-W245 WeakPolarHBondContact OH-CZ2 3.44Å; Y208-W245 PolarHBondContact OH-NE1 3.36Å; Y208-E247 VanDerWaalsContact CA-O 3.27Å; Y208-E247 WeakPolarHBondContact CA-O 3.43Å; Y208-E247 HydrophobicContact CD1-CB 3.84Å; Y208-E247 HydrophobicContact CE1-CB 3.89Å; Y208-E247 HydrophobicContact CE1-CG 4.5Å; Y208-E247 WeakPolarHBondContact CE1-OE2 3.37Å; Y208-R249 HydrophobicContact CD1-CG 4.26Å; Y208-M254 HydrophobicContact CD1-CE 4.32Å; Y208-M254 HydrophobicContact CD1-SD 4.02Å; Y208-M254 HydrophobicContact CD2-CE 3.69Å; Y208-M254 HydrophobicContact CD2-SD 4.45Å; Y208-M254 HydrophobicContact CE2-CE 4.4Å; Y208-M254 HydrophobicContact CG-CE 3.64Å; Y208-M254 HydrophobicContact CG-SD 3.84Å; Y208-F265 HydrophobicContact CD2-CB 3.92Å; Y208-F265 AromaticContact CD2-CD2 3.79Å; Y208-F265 HydrophobicContact CD2-CD2 3.79Å; Y208-F265 HydrophobicContact CD2-CG 4.01Å; Y208-F265 HydrophobicContact CE2-CB 3.78Å; Y208-F265 HydrophobicContact CE2-CD2 4.26Å; Y208-F265 HydrophobicContact CE2-CG 4.02Å; Y208-I266 PolarHBondContact N-O 3.48Å; Y208-W267 CarbonylContact O-C 3.57Å; Y208-A268 PolarHBondContact O-N 2.82Å
209L98.8Very high97.4Very high0 Ų052.3 Ų52.30%027%0.265CS..EExtended strand (participates in β ladder)trans-87.7127.6161.1171.569.1000108F192 T211 F223 F227 Y246 E247 H248 R249 A268F192-L209 HydrophobicContact CE1-CD1 4.16Å; L209-T211 HydrophobicContact CD1-CG2 4.08Å; L209-T211 HydrophobicContact CD2-CG2 4.23Å; L209-T211 HydrophobicContact CG-CG2 4.05Å; L209-F223 HydrophobicContact CD2-CB 4.43Å; L209-F227 HydrophobicContact CB-CD1 3.95Å; L209-F227 HydrophobicContact CB-CE1 4.15Å; L209-F227 HydrophobicContact CB-CG 4.45Å; L209-F227 HydrophobicContact CD1-CD1 4.48Å; L209-F227 HydrophobicContact CD1-CD2 4.49Å; L209-F227 HydrophobicContact CD1-CE1 4.16Å; L209-F227 HydrophobicContact CD1-CE2 4.18Å; L209-F227 HydrophobicContact CD1-CZ 4Å; L209-F227 HydrophobicContact CD2-CB 3.83Å; L209-F227 HydrophobicContact CD2-CD1 3.98Å; L209-F227 HydrophobicContact CD2-CD2 3.79Å; L209-F227 HydrophobicContact CD2-CE1 4.46Å; L209-F227 HydrophobicContact CD2-CE2 4.3Å; L209-F227 HydrophobicContact CD2-CG 3.61Å; L209-F227 HydrophobicContact CG-CD1 4.33Å; L209-F227 HydrophobicContact CG-CE1 4.47Å; L209-F227 HydrophobicContact CG-CG 4.43Å; L209-Y246 HydrophobicContact CB-CE2 3.88Å; L209-E247 PolarHBondContact N-O 3.15Å; L209-H248 CarbonylContact O-C 3.57Å; L209-H248 WeakPolarHBondContact O-CA 3.38Å; L209-H248 PolarHBondContact O-CD2 2.99Å; L209-R249 PolarHBondContact O-N 3.25Å; L209-A268 HydrophobicContact CB-CB 4.48Å; L209-A268 HydrophobicContact CD1-CB 4.15Å
210S98.4Very high97.5Very high0 Ų050.6 Ų50.60%026%0.256CS..EExtended strand (participates in β ladder)trans-116.1127.8174.766.80000113.1R249 I251 W267 A268S210-R249 VanDerWaalsContact CA-O 3.25Å; S210-R249 WeakPolarHBondContact CA-O 3.37Å; S210-I251 WeakPolarHBondContact OG-CD1 3.31Å; S210-W267 PolarHBondContact OG-NE1 2.77Å; S210-A268 PolarHBondContact N-O 3.43Å
211T97.9Very high97.5Very high0 Ų050.8 Ų50.80%026%0.259CS..EExtended strand (participates in β ladder)trans-143.6-177176.5730000111.1L209 F223 H248 R249 L250 I251 K270L209-T211 HydrophobicContact CD1-CG2 4.08Å; L209-T211 HydrophobicContact CD2-CG2 4.23Å; L209-T211 HydrophobicContact CG-CG2 4.05Å; T211-F223 HydrophobicContact CG2-CB 4.15Å; T211-H248 PolarHBondContact OG1-NE2 3.41Å; T211-R249 PolarHBondContact N-O 3.07Å; T211-R249 VanDerWaalsContact N-O 3.14Å; T211-L250 CarbonylContact O-C 3.59Å; T211-L250 VanDerWaalsContact O-CA 3.25Å; T211-L250 WeakPolarHBondContact O-CA 3.11Å; T211-I251 PolarHBondContact O-N 2.97Å; T211-K270 HydrophobicContact CG2-CG 4.35Å
212K96.8Very high97.5Very high58 Ų5854.7 Ų54.725%0.25227%0.272SS..  trans-117.947.4173.4-157.479-175.5-173.50111.3T214 I215 L216 D220 I251 D252K212-T214 PolarHBondContact O-N 2.87Å; K212-I215 HydrophobicContact CG-CB 3.97Å; K212-I215 HydrophobicContact CG-CG1 3.73Å; K212-I215 PolarHBondContact O-N 2.95Å; K212-L216 PolarHBondContact O-N 3.35Å; K212-D220 WeakPolarHBondContact CA-OD2 3.45Å; K212-D220 PolarHBondContact N-OD2 2.72Å; K212-I251 HydrophobicContact CB-CG2 4.24Å; K212-I251 HydrophobicContact CD-CG2 3.89Å; K212-D252 IonicContact NZ-OD1 3.31Å; K212-D252 PolarHBondContact NZ-OD1 3.49Å; K212-D252 IonicContact NZ-OD2 3.23Å; K212-D252 PolarHBondContact NZ-OD2 3.09Å
213N96.3Very high97.7Very high26 Ų2650 Ų5014%0.13924%0.238CC..THydrogen-bonded Turntrans-61-16.7-175.974.8-63.8000115.1I215 K217 D220 H248 L250N213-I215 VanDerWaalsContact C-N 3.28Å; N213-K217 VanDerWaalsContact O-CA 3.23Å; N213-K217 WeakPolarHBondContact O-CA 3.41Å; N213-K217 PolarHBondContact O-N 3.26Å; N213-D220 HydrophobicContact CB-CB 3.92Å; N213-H248 PolarHBondContact OD1-CE1 2.76Å; N213-L250 WeakPolarHBondContact OD1-CD2 3.35Å
214T95.3Very high97.8Very high72 Ų7249.6 Ų49.644%0.44224%0.237SC..THydrogen-bonded Turntrans-69.6-28.1172.149.30000112.5K212 L250K212-T214 PolarHBondContact O-N 2.87Å; T214-L250 HydrophobicContact CG2-CD1 4.14Å; T214-L250 HydrophobicContact CG2-CD2 3.97Å
215I97Very high97.8Very high125 Ų12552 Ų5264%0.64124%0.242SC*.THydrogen-bonded Turntrans-96.5-55.6175.7-55.1-57.3000109.8K212 N213 K217K212-I215 HydrophobicContact CG-CB 3.97Å; K212-I215 HydrophobicContact CG-CG1 3.73Å; K212-I215 PolarHBondContact O-N 2.95Å; N213-I215 VanDerWaalsContact C-N 3.28Å; I215-K217 VanDerWaalsContact C-N 3.29Å; I215-K217 PolarHBondContact O-N 3.04Å; I215-K217 VanDerWaalsContact O-N 3.1Å
216L95.4Very high97.8Very high69 Ų6949.7 Ų49.736%0.36123%0.234SC..SBendtrans-89.163.8178.4-67.2176.9000110.9K212 K218 Y219 D220 G221K212-L216 PolarHBondContact O-N 3.35Å; L216-K218 PolarHBondContact O-N 3.43Å; L216-K218 VanDerWaalsContact O-N 3.11Å; L216-Y219 PolarHBondContact O-N 2.89Å; L216-D220 HydrophobicContact CB-CB 3.83Å; L216-D220 WeakPolarHBondContact CD1-OD1 3.34Å; L216-D220 WeakPolarHBondContact O-CB 3.43Å; L216-D220 PolarHBondContact O-N 2.98Å; L216-G221 PolarHBondContact O-N 3.15Å
217K97.1Very high97.8Very high158 Ų15849 Ų4969%0.68723%0.229SC*.THydrogen-bonded Turntrans-53.9-35.5-171.3-64.4-177.9-176.8177.70115N213 I215 G221N213-K217 VanDerWaalsContact O-CA 3.23Å; N213-K217 WeakPolarHBondContact O-CA 3.41Å; N213-K217 PolarHBondContact O-N 3.26Å; I215-K217 VanDerWaalsContact C-N 3.29Å; I215-K217 PolarHBondContact O-N 3.04Å; I215-K217 VanDerWaalsContact O-N 3.1Å; K217-G221 WeakPolarHBondContact O-CA 3.47Å
218K97.8Very high97.8Very high185 Ų18552.3 Ų52.380%0.80424%0.244SC*.THydrogen-bonded Turntrans-91.6-50-180-63-62.6-175.5178.80111.7L216 R222L216-K218 PolarHBondContact O-N 3.43Å; L216-K218 VanDerWaalsContact O-N 3.11Å; K218-R222 WeakPolarHBondContact O-CB 3.45Å; K218-R222 PolarHBondContact O-N 3.41Å
219Y97.8Very high97.8Very high52 Ų5255.9 Ų55.920%0.20426%0.262CS..Hα-helixtrans-66.9-61.3-176.3-163.8-79.3000111.8D137 M182 Y183 L216 G221 R222 F223D137-Y219 WeakPolarHBondContact OD1-CE1 3.14Å; D137-Y219 PolarHBondContact OD1-OH 3.15Å; M182-Y219 HydrophobicContact CG-CE2 4.13Å; Y183-Y219 PolarHBondContact O-OH 3.3Å; Y183-Y219 VanDerWaalsContact O-OH 3.05Å; L216-Y219 PolarHBondContact O-N 2.89Å; Y219-G221 VanDerWaalsContact C-N 3.31Å; Y219-G221 PolarHBondContact O-N 2.94Å; Y219-R222 WeakPolarHBondContact O-CB 3.39Å; Y219-R222 PolarHBondContact O-N 3.23Å; Y219-F223 HydrophobicContact CD1-CE2 4.24Å; Y219-F223 AromaticContact CE1-CE2 3.88Å; Y219-F223 HydrophobicContact CE1-CE2 3.88Å
220D98.1Very high97.8Very high0 Ų056.5 Ų56.50%027%0.265CS..Hα-helixtrans-76.1-23.8179.7-74.420.8000112K212 N213 L216 R222 F223 K224 K270K212-D220 WeakPolarHBondContact CA-OD2 3.45Å; K212-D220 PolarHBondContact N-OD2 2.72Å; N213-D220 HydrophobicContact CB-CB 3.92Å; L216-D220 HydrophobicContact CB-CB 3.83Å; L216-D220 WeakPolarHBondContact CD1-OD1 3.34Å; L216-D220 WeakPolarHBondContact O-CB 3.43Å; L216-D220 PolarHBondContact O-N 2.98Å; D220-R222 VanDerWaalsContact C-N 3.31Å; D220-F223 PolarHBondContact O-N 3.24Å; D220-K224 PolarHBondContact O-N 2.8Å; D220-K224 VanDerWaalsContact O-N 3.16Å; D220-K270 VanDerWaalsContact CG-NZ 3.3Å; D220-K270 WeakPolarHBondContact OD1-CE 3.4Å; D220-K270 IonicContact OD1-NZ 2.94Å; D220-K270 PolarHBondContact OD1-NZ 3.45Å; D220-K270 WeakPolarHBondContact OD2-CE 3.35Å; D220-K270 IonicContact OD2-NZ 3.04Å; D220-K270 PolarHBondContact OD2-NZ 3.24Å; D220-K270 VanDerWaalsContact OD2-NZ 3.08Å
221G98.4Very high97.8Very high5 Ų557.6 Ų57.65%0.05227%0.269CS..Hα-helixtrans-58.8-4316800000111.7L216 K217 Y219 F223 K224 D225L216-G221 PolarHBondContact O-N 3.15Å; K217-G221 WeakPolarHBondContact O-CA 3.47Å; Y219-G221 VanDerWaalsContact C-N 3.31Å; Y219-G221 PolarHBondContact O-N 2.94Å; G221-F223 PolarHBondContact O-N 2.75Å; G221-K224 PolarHBondContact O-N 2.99Å; G221-D225 WeakPolarHBondContact O-CB 3.28Å; G221-D225 PolarHBondContact O-N 3.15Å
222R98.5Very high97.9Very high107 Ų10761.4 Ų61.440%0.40429%0.29SS..Hα-helixtrans-62-40.8178.8-168.158.5171.9164.71.6112.6D186 I189 K218 Y219 D220 D225 I226D186-R222 WeakPolarHBondContact OD1-CG 3.48Å; D186-R222 IonicContact OD1-CZ 2.74Å; D186-R222 IonicContact OD1-NE 2.67Å; D186-R222 PolarHBondContact OD1-NE 2.86Å; D186-R222 IonicContact OD1-NH2 2.64Å; D186-R222 IonicContact OD2-CZ 2.75Å; D186-R222 IonicContact OD2-NE 3.08Å; D186-R222 PolarHBondContact OD2-NE 2.89Å; D186-R222 IonicContact OD2-NH2 3.16Å; D186-R222 PolarHBondContact OD2-NH2 3.49Å; I189-R222 HydrophobicContact CD1-CG 4.43Å; K218-R222 WeakPolarHBondContact O-CB 3.45Å; K218-R222 PolarHBondContact O-N 3.41Å; Y219-R222 WeakPolarHBondContact O-CB 3.39Å; Y219-R222 PolarHBondContact O-N 3.23Å; D220-R222 VanDerWaalsContact C-N 3.31Å; R222-D225 PolarHBondContact O-N 3.17Å; R222-I226 HydrophobicContact CG-CD1 3.88Å; R222-I226 WeakPolarHBondContact O-CB 3.21Å; R222-I226 VanDerWaalsContact O-CG1 3.3Å; R222-I226 WeakPolarHBondContact O-CG1 3.43Å; R222-I226 PolarHBondContact O-N 3.27Å
223F98.7Very high98Very high1 Ų165.6 Ų65.60%0.00431%0.308CS..Hα-helixtrans-57.6-52172.3-84.8-102.1000112.3H133 N184 I189 F192 L209 T211 Y219 D220 G221 D225 I226 F227 K270H133-F223 AromaticContact CE1-CE1 3.74Å; H133-F223 AromaticContact CE1-CZ 3.69Å; H133-F223 AromaticContact ND1-CE1 3.28Å; H133-F223 VanDerWaalsContact ND1-CE1 3.28Å; H133-F223 WeakPolarHBondContact ND1-CE1 3.39Å; H133-F223 AromaticContact ND1-CZ 3.39Å; H133-F223 WeakPolarHBondContact ND1-CZ 3.45Å; N184-F223 HydrophobicContact CB-CE2 4.13Å; N184-F223 HydrophobicContact CB-CZ 4.31Å; I189-F223 HydrophobicContact CD1-CD1 4.36Å; I189-F223 HydrophobicContact CD1-CD2 3.65Å; I189-F223 HydrophobicContact CD1-CE1 4.31Å; I189-F223 HydrophobicContact CD1-CE2 3.58Å; I189-F223 HydrophobicContact CD1-CG 4.07Å; I189-F223 HydrophobicContact CD1-CZ 3.94Å; I189-F223 HydrophobicContact CG1-CD1 4.08Å; I189-F223 HydrophobicContact CG1-CD2 4.21Å; I189-F223 HydrophobicContact CG1-CE1 3.79Å; I189-F223 HydrophobicContact CG1-CE2 3.92Å; I189-F223 HydrophobicContact CG1-CG 4.29Å; I189-F223 HydrophobicContact CG1-CZ 3.71Å; I189-F223 HydrophobicContact CG2-CB 4.47Å; I189-F223 HydrophobicContact CG2-CD1 3.85Å; I189-F223 HydrophobicContact CG2-CE1 4.3Å; I189-F223 HydrophobicContact CG2-CG 4.11Å; F192-F223 HydrophobicContact CD1-CE1 4.31Å; L209-F223 HydrophobicContact CD2-CB 4.43Å; T211-F223 HydrophobicContact CG2-CB 4.15Å; Y219-F223 HydrophobicContact CD1-CE2 4.24Å; Y219-F223 AromaticContact CE1-CE2 3.88Å; Y219-F223 HydrophobicContact CE1-CE2 3.88Å; D220-F223 PolarHBondContact O-N 3.24Å; G221-F223 PolarHBondContact O-N 2.75Å; F223-D225 VanDerWaalsContact C-N 3.35Å; F223-D225 PolarHBondContact O-N 3.43Å; F223-I226 PolarHBondContact O-N 2.86Å; F223-F227 WeakPolarHBondContact O-CD2 3.43Å; F223-F227 PolarHBondContact O-N 3.4Å; F223-K270 HydrophobicContact CE1-CG 4.29Å; F223-K270 HydrophobicContact CZ-CG 4.44Å
224K98.6Very high98Very high64 Ų6469 Ų6928%0.27832%0.323SS..Hα-helixtrans-58.7-48-179.4-177.8-166.769.5163.10111.2D220 G221 F227 Q228 H248D220-K224 PolarHBondContact O-N 2.8Å; D220-K224 VanDerWaalsContact O-N 3.16Å; G221-K224 PolarHBondContact O-N 2.99Å; K224-F227 PolarHBondContact O-N 3.46Å; K224-Q228 WeakPolarHBondContact O-CB 3.48Å; K224-Q228 PolarHBondContact O-N 3.35Å; K224-H248 HydrophobicContact CG-CB 4.08Å
225D98.7Very high98.2Very high81 Ų8166.2 Ų66.243%0.43331%0.305SS..Hα-helixtrans-65.9-43.9-175.5-63.3-13.9000111.1G221 R222 F223 Q228 E229G221-D225 WeakPolarHBondContact O-CB 3.28Å; G221-D225 PolarHBondContact O-N 3.15Å; R222-D225 PolarHBondContact O-N 3.17Å; F223-D225 VanDerWaalsContact C-N 3.35Å; F223-D225 PolarHBondContact O-N 3.43Å; D225-Q228 PolarHBondContact O-N 2.84Å; D225-E229 WeakPolarHBondContact O-CB 3.25Å; D225-E229 PolarHBondContact O-N 3.15Å
226I98.7Very high98.3Very high7 Ų764.4 Ų64.44%0.03629%0.292CS..Hα-helixtrans-63-47.3177-71171.7000111.4D186 I189 E190 R222 F223 Q228 E229 I230D186-I226 HydrophobicContact CB-CD1 4.02Å; I189-I226 HydrophobicContact CB-CD1 4.04Å; I189-I226 HydrophobicContact CB-CG2 4.47Å; I189-I226 HydrophobicContact CD1-CD1 4.21Å; I189-I226 HydrophobicContact CG2-CB 3.92Å; I189-I226 HydrophobicContact CG2-CD1 3.92Å; I189-I226 HydrophobicContact CG2-CG2 3.81Å; E190-I226 HydrophobicContact CB-CG2 4.43Å; E190-I226 HydrophobicContact CG-CG2 3.72Å; R222-I226 HydrophobicContact CG-CD1 3.88Å; R222-I226 WeakPolarHBondContact O-CB 3.21Å; R222-I226 VanDerWaalsContact O-CG1 3.3Å; R222-I226 WeakPolarHBondContact O-CG1 3.43Å; R222-I226 PolarHBondContact O-N 3.27Å; F223-I226 PolarHBondContact O-N 2.86Å; I226-Q228 VanDerWaalsContact C-N 3.32Å; I226-Q228 PolarHBondContact O-N 3.44Å; I226-E229 PolarHBondContact O-N 3.05Å; I226-I230 HydrophobicContact CG2-CD1 3.79Å; I226-I230 WeakPolarHBondContact O-CB 3.3Å; I226-I230 WeakPolarHBondContact O-CG1 3.4Å; I226-I230 PolarHBondContact O-N 3.4Å
227F98.7Very high98.4Very high0 Ų065 Ų650%030%0.302CS..Hα-helixtrans-60.6-43.5177.9-94.8-115000111.7I189 F192 A193 F197 L209 F223 K224 I230 Y231 Y246 A268I189-F227 HydrophobicContact CG2-CD2 4.25Å; I189-F227 HydrophobicContact CG2-CE2 4.27Å; F192-F227 AromaticContact CD1-CE2 3.53Å; F192-F227 HydrophobicContact CD1-CE2 3.53Å; F192-F227 AromaticContact CD1-CZ 3.45Å; F192-F227 HydrophobicContact CD1-CZ 3.45Å; F192-F227 VanDerWaalsContact CD1-CZ 3.45Å; F192-F227 HydrophobicContact CD2-CZ 4.45Å; F192-F227 AromaticContact CE1-CE2 3.9Å; F192-F227 HydrophobicContact CE1-CE2 3.9Å; F192-F227 AromaticContact CE1-CZ 3.54Å; F192-F227 HydrophobicContact CE1-CZ 3.54Å; F192-F227 HydrophobicContact CG-CE2 4.22Å; F192-F227 AromaticContact CG-CZ 3.94Å; F192-F227 HydrophobicContact CG-CZ 3.94Å; F192-F227 HydrophobicContact CZ-CZ 4.12Å; A193-F227 VanDerWaalsContact CA-CZ 3.4Å; A193-F227 HydrophobicContact CB-CD1 4.01Å; A193-F227 HydrophobicContact CB-CD2 3.58Å; A193-F227 HydrophobicContact CB-CE1 4.01Å; A193-F227 HydrophobicContact CB-CE2 3.58Å; A193-F227 HydrophobicContact CB-CG 3.8Å; A193-F227 HydrophobicContact CB-CZ 3.8Å; F197-F227 HydrophobicContact CE2-CD1 4.19Å; F197-F227 HydrophobicContact CZ-CD1 4.01Å; F197-F227 WeakPolarHBondContact CZ-O 3.46Å; L209-F227 HydrophobicContact CB-CD1 3.95Å; L209-F227 HydrophobicContact CB-CE1 4.15Å; L209-F227 HydrophobicContact CB-CG 4.45Å; L209-F227 HydrophobicContact CD1-CD1 4.48Å; L209-F227 HydrophobicContact CD1-CD2 4.49Å; L209-F227 HydrophobicContact CD1-CE1 4.16Å; L209-F227 HydrophobicContact CD1-CE2 4.18Å; L209-F227 HydrophobicContact CD1-CZ 4Å; L209-F227 HydrophobicContact CD2-CB 3.83Å; L209-F227 HydrophobicContact CD2-CD1 3.98Å; L209-F227 HydrophobicContact CD2-CD2 3.79Å; L209-F227 HydrophobicContact CD2-CE1 4.46Å; L209-F227 HydrophobicContact CD2-CE2 4.3Å; L209-F227 HydrophobicContact CD2-CG 3.61Å; L209-F227 HydrophobicContact CG-CD1 4.33Å; L209-F227 HydrophobicContact CG-CE1 4.47Å; L209-F227 HydrophobicContact CG-CG 4.43Å; F223-F227 WeakPolarHBondContact O-CD2 3.43Å; F223-F227 PolarHBondContact O-N 3.4Å; K224-F227 PolarHBondContact O-N 3.46Å; F227-I230 PolarHBondContact O-N 3.47Å; F227-Y231 WeakPolarHBondContact O-CB 3.41Å; F227-Y231 PolarHBondContact O-N 2.88Å; F227-Y246 HydrophobicContact CB-CE2 4.47Å; F227-Y246 VanDerWaalsContact CB-OH 3.23Å; F227-Y246 WeakPolarHBondContact CB-OH 3.48Å; F227-Y246 AromaticContact CD1-CE2 3.97Å; F227-Y246 HydrophobicContact CD1-CE2 3.97Å; F227-A268 HydrophobicContact CE1-CB 4.12Å; F227-A268 HydrophobicContact CZ-CB 4.34Å
228Q98.8Very high98.5Very high69 Ų6961.7 Ų61.732%0.32229%0.289SS..Hα-helixtrans-63.9-45.5179.2-172.86155.500111.4K224 D225 I226 I230 Y231 D232K224-Q228 WeakPolarHBondContact O-CB 3.48Å; K224-Q228 PolarHBondContact O-N 3.35Å; D225-Q228 PolarHBondContact O-N 2.84Å; I226-Q228 VanDerWaalsContact C-N 3.32Å; I226-Q228 PolarHBondContact O-N 3.44Å; Q228-I230 PolarHBondContact O-N 3.31Å; Q228-Y231 WeakPolarHBondContact O-CB 3.38Å; Q228-Y231 PolarHBondContact O-N 2.92Å; Q228-D232 VanDerWaalsContact NE2-CG 3.3Å; Q228-D232 PolarHBondContact NE2-OD1 3.28Å; Q228-D232 PolarHBondContact NE2-OD2 2.84Å; Q228-D232 PolarHBondContact O-N 2.75Å
229E98.7Very high98.5Very high95 Ų9552.9 Ų52.944%0.44425%0.251SS..Hα-helixtrans-60.7-45178-178.2178.3168.900112.1D225 I226 K233D225-E229 WeakPolarHBondContact O-CB 3.25Å; D225-E229 PolarHBondContact O-N 3.15Å; I226-E229 PolarHBondContact O-N 3.05Å; E229-K233 HydrophobicContact CG-CD 3.93Å; E229-K233 WeakPolarHBondContact O-CB 3.47Å; E229-K233 VanDerWaalsContact O-CG 3.31Å; E229-K233 WeakPolarHBondContact O-CG 3.46Å; E229-K233 PolarHBondContact O-N 2.7Å; E229-K233 WeakPolarHBondContact OE1-CE 3.33Å; E229-K233 IonicContact OE1-NZ 3.98Å; E229-K233 PolarHBondContact OE1-NZ 2.8Å
230I98.5Very high98.6Very high13 Ų1355.9 Ų55.97%0.06727%0.267CS..Hα-helixtrans-64.5-43.6177.1-72.8171.9000110.9E190 A193 F197 I226 F227 Q228 K233 Q234 Y235E190-I230 HydrophobicContact CB-CD1 3.97Å; E190-I230 HydrophobicContact CG-CD1 4.05Å; A193-I230 HydrophobicContact CB-CD1 3.73Å; F197-I230 HydrophobicContact CD2-CG2 3.84Å; F197-I230 HydrophobicContact CE2-CB 4.2Å; F197-I230 HydrophobicContact CE2-CG2 3.72Å; I226-I230 HydrophobicContact CG2-CD1 3.79Å; I226-I230 WeakPolarHBondContact O-CB 3.3Å; I226-I230 WeakPolarHBondContact O-CG1 3.4Å; I226-I230 PolarHBondContact O-N 3.4Å; F227-I230 PolarHBondContact O-N 3.47Å; Q228-I230 PolarHBondContact O-N 3.31Å; I230-K233 PolarHBondContact O-N 2.87Å; I230-Q234 WeakPolarHBondContact O-CB 3.5Å; I230-Q234 PolarHBondContact O-N 2.83Å; I230-Y235 HydrophobicContact CG2-CD2 3.67Å; I230-Y235 HydrophobicContact CG2-CE2 3.53Å
231Y98.7Very high98.6Very high22 Ų2259.9 Ų59.99%0.08630%0.3CS..Iπ-helixtrans-56.7-55.4176.9175.1-107.9000111.3F197 F227 Q228 K233 Q234 Y235 K236 F239 Y246F197-Y231 HydrophobicContact CD1-CD2 4.33Å; F197-Y231 AromaticContact CE1-CD2 3.74Å; F197-Y231 HydrophobicContact CE1-CD2 3.74Å; F197-Y231 HydrophobicContact CE1-CG 4.25Å; F197-Y231 HydrophobicContact CZ-CD2 4.33Å; F197-Y231 HydrophobicContact CZ-CG 4.41Å; F227-Y231 WeakPolarHBondContact O-CB 3.41Å; F227-Y231 PolarHBondContact O-N 2.88Å; Q228-Y231 WeakPolarHBondContact O-CB 3.38Å; Q228-Y231 PolarHBondContact O-N 2.92Å; Y231-K233 VanDerWaalsContact C-N 3.31Å; Y231-K233 PolarHBondContact O-N 2.87Å; Y231-Q234 PolarHBondContact O-N 2.69Å; Y231-Y235 PolarHBondContact O-N 2.89Å; Y231-K236 HydrophobicContact CD1-CB 4.33Å; Y231-K236 HydrophobicContact CE1-CB 3.96Å; Y231-K236 HydrophobicContact CE1-CD 4.16Å; Y231-K236 HydrophobicContact CE1-CG 3.93Å; Y231-K236 HydrophobicContact CE2-CB 4.28Å; Y231-K236 WeakPolarHBondContact O-CB 3.45Å; Y231-K236 PolarHBondContact O-N 3.46Å; Y231-F239 HydrophobicContact CE2-CB 3.98Å; Y231-F239 AromaticContact CE2-CD1 3.91Å; Y231-F239 HydrophobicContact CE2-CD1 3.91Å; Y231-F239 HydrophobicContact CE2-CD2 4.34Å; Y231-F239 AromaticContact CE2-CG 3.82Å; Y231-F239 HydrophobicContact CE2-CG 3.82Å; Y231-Y246 AromaticContact CD1-CD1 3.87Å; Y231-Y246 HydrophobicContact CD1-CD1 3.87Å; Y231-Y246 HydrophobicContact CD2-CD1 4.01Å; Y231-Y246 HydrophobicContact CD2-CG 4.06Å; Y231-Y246 HydrophobicContact CE1-CD1 4.46Å; Y231-Y246 HydrophobicContact CE2-CG 4.48Å; Y231-Y246 AromaticContact CG-CD1 3.6Å; Y231-Y246 HydrophobicContact CG-CD1 3.6Å; Y231-Y246 HydrophobicContact CG-CG 4.13Å
232D98.7Very high98.6Very high81 Ų8164 Ų6443%0.43332%0.318SS..Iπ-helixtrans-63.1-37.9-175.7-72.6-35.7000112.2Q228Q228-D232 VanDerWaalsContact NE2-CG 3.3Å; Q228-D232 PolarHBondContact NE2-OD1 3.28Å; Q228-D232 PolarHBondContact NE2-OD2 2.84Å; Q228-D232 PolarHBondContact O-N 2.75Å
233K98.5Very high98.6Very high146 Ų14668 Ų6864%0.63534%0.338SS*.Iπ-helixtrans-77.9-34.2-178.6-72.9179.5178.4179.60114E229 I230 Y231E229-K233 HydrophobicContact CG-CD 3.93Å; E229-K233 WeakPolarHBondContact O-CB 3.47Å; E229-K233 VanDerWaalsContact O-CG 3.31Å; E229-K233 WeakPolarHBondContact O-CG 3.46Å; E229-K233 PolarHBondContact O-N 2.7Å; E229-K233 WeakPolarHBondContact OE1-CE 3.33Å; E229-K233 IonicContact OE1-NZ 3.98Å; E229-K233 PolarHBondContact OE1-NZ 2.8Å; I230-K233 PolarHBondContact O-N 2.87Å; Y231-K233 VanDerWaalsContact C-N 3.31Å; Y231-K233 PolarHBondContact O-N 2.87Å
234Q98.1Very high98.6Very high97 Ų9768.6 Ų68.645%0.45334%0.341SS..Iπ-helixtrans-129.1-31.1-163.1-57.6-17344.700115.2H194 I230 Y231 Q238H194-Q234 PolarHBondContact CE1-OE1 2.86Å; I230-Q234 WeakPolarHBondContact O-CB 3.5Å; I230-Q234 PolarHBondContact O-N 2.83Å; Y231-Q234 PolarHBondContact O-N 2.69Å; Q234-Q238 PolarHBondContact O-NE2 3.12Å
235Y98.4Very high98.6Very high14 Ų1471.1 Ų71.16%0.05535%0.349CS..Iπ-helixtrans-113.6-22.9-168.3-68.9-81.7000114.5H194 F197 Q198 L201 I230 Y231 S237 Q238 F239H194-Y235 AromaticContact CE1-CE2 3.91Å; H194-Y235 AromaticContact ND1-CE2 3.41Å; H194-Y235 WeakPolarHBondContact ND1-CE2 3.42Å; H194-Y235 AromaticContact ND1-CZ 3.58Å; H194-Y235 PolarHBondContact ND1-OH 2.85Å; F197-Y235 HydrophobicContact CB-CD1 3.58Å; F197-Y235 HydrophobicContact CB-CD2 3.89Å; F197-Y235 HydrophobicContact CB-CE1 3.61Å; F197-Y235 HydrophobicContact CB-CE2 3.92Å; F197-Y235 HydrophobicContact CB-CG 3.7Å; F197-Y235 HydrophobicContact CD1-CG 4.37Å; F197-Y235 AromaticContact CD2-CD2 3.61Å; F197-Y235 HydrophobicContact CD2-CD2 3.61Å; F197-Y235 AromaticContact CD2-CE2 3.78Å; F197-Y235 HydrophobicContact CD2-CE2 3.78Å; F197-Y235 HydrophobicContact CD2-CG 4.16Å; F197-Y235 HydrophobicContact CE2-CD2 4.34Å; F197-Y235 HydrophobicContact CG-CD1 4.26Å; F197-Y235 AromaticContact CG-CD2 3.8Å; F197-Y235 HydrophobicContact CG-CD2 3.8Å; F197-Y235 HydrophobicContact CG-CE2 4.13Å; F197-Y235 AromaticContact CG-CG 3.85Å; F197-Y235 HydrophobicContact CG-CG 3.85Å; Q198-Y235 HydrophobicContact CG-CE1 4.29Å; L201-Y235 HydrophobicContact CD1-CD1 3.73Å; L201-Y235 HydrophobicContact CD1-CE1 4.07Å; I230-Y235 HydrophobicContact CG2-CD2 3.67Å; I230-Y235 HydrophobicContact CG2-CE2 3.53Å; Y231-Y235 PolarHBondContact O-N 2.89Å; Y235-S237 PolarHBondContact O-N 3.31Å; Y235-Q238 WeakPolarHBondContact O-CB 3.28Å; Y235-Q238 PolarHBondContact O-N 2.84Å; Y235-F239 HydrophobicContact CD1-CE2 4.39Å; Y235-F239 WeakPolarHBondContact O-CD2 3.33Å; Y235-F239 PolarHBondContact O-N 3.13Å
236K98.7Very high98.6Very high86 Ų8668 Ų6837%0.37433%0.332SS..Hα-helixtrans-50.9-49.7-174.6-177.9171.9-178.5173.50113.6Y231 Q238 F239 E240Y231-K236 HydrophobicContact CD1-CB 4.33Å; Y231-K236 HydrophobicContact CE1-CB 3.96Å; Y231-K236 HydrophobicContact CE1-CD 4.16Å; Y231-K236 HydrophobicContact CE1-CG 3.93Å; Y231-K236 HydrophobicContact CE2-CB 4.28Å; Y231-K236 WeakPolarHBondContact O-CB 3.45Å; Y231-K236 PolarHBondContact O-N 3.46Å; K236-Q238 VanDerWaalsContact C-N 3.31Å; K236-Q238 PolarHBondContact O-N 3.22Å; K236-F239 PolarHBondContact O-N 3.16Å; K236-E240 WeakPolarHBondContact CE-OE1 3.34Å; K236-E240 HydrophobicContact CG-CG 4.47Å; K236-E240 WeakPolarHBondContact CG-OE1 3.34Å; K236-E240 WeakPolarHBondContact O-CB 3.28Å; K236-E240 WeakPolarHBondContact O-CG 3.25Å; K236-E240 PolarHBondContact O-N 3.46Å
237S98.6Very high98.5Very high82 Ų8270.7 Ų70.757%0.57334%0.344SS*.Hα-helixtrans-63.3-35.4179.356.50000113.3Y235 A241Y235-S237 PolarHBondContact O-N 3.31Å; S237-A241 WeakPolarHBondContact O-CB 3.41Å; S237-A241 PolarHBondContact O-N 3.01Å
238Q98.5Very high98.5Very high89 Ų8972.6 Ų72.642%0.41635%0.352SS..Hα-helixtrans-71.3-39.2178.1-57.5178.563.900111.3L201 Q234 Y235 K236 Q242L201-Q238 HydrophobicContact CD1-CB 4.07Å; L201-Q238 HydrophobicContact CD2-CB 3.74Å; Q234-Q238 PolarHBondContact O-NE2 3.12Å; Y235-Q238 WeakPolarHBondContact O-CB 3.28Å; Y235-Q238 PolarHBondContact O-N 2.84Å; K236-Q238 VanDerWaalsContact C-N 3.31Å; K236-Q238 PolarHBondContact O-N 3.22Å; Q238-Q242 PolarHBondContact O-N 2.77Å
239F98.7Very high98.5Very high0 Ų071.6 Ų71.60%035%0.346CS..Hα-helixtrans-65.8-47.9175.9-88.8-120.7000111.3F197 A200 L201 L207 Y231 Y235 K236 A241 Q242 K243 I244F197-F239 HydrophobicContact CB-CE2 4.22Å; F197-F239 HydrophobicContact CB-CZ 4.36Å; F197-F239 HydrophobicContact CD1-CE1 4.34Å; F197-F239 AromaticContact CD1-CE2 3.89Å; F197-F239 HydrophobicContact CD1-CE2 3.89Å; F197-F239 AromaticContact CD1-CZ 3.58Å; F197-F239 HydrophobicContact CD1-CZ 3.58Å; F197-F239 HydrophobicContact CE1-CZ 4.43Å; F197-F239 HydrophobicContact CG-CZ 4.45Å; A200-F239 HydrophobicContact CB-CE1 4.16Å; A200-F239 HydrophobicContact CB-CZ 3.64Å; L201-F239 HydrophobicContact CD1-CD2 4.5Å; L201-F239 HydrophobicContact CD1-CE2 4.19Å; L201-F239 HydrophobicContact CD2-CD2 3.76Å; L201-F239 HydrophobicContact CD2-CE2 3.93Å; L201-F239 HydrophobicContact CG-CD2 4.02Å; L201-F239 HydrophobicContact CG-CE2 3.67Å; L207-F239 HydrophobicContact CB-CE1 4.2Å; L207-F239 HydrophobicContact CB-CZ 4.46Å; Y231-F239 HydrophobicContact CE2-CB 3.98Å; Y231-F239 AromaticContact CE2-CD1 3.91Å; Y231-F239 HydrophobicContact CE2-CD1 3.91Å; Y231-F239 HydrophobicContact CE2-CD2 4.34Å; Y231-F239 AromaticContact CE2-CG 3.82Å; Y231-F239 HydrophobicContact CE2-CG 3.82Å; Y235-F239 HydrophobicContact CD1-CE2 4.39Å; Y235-F239 WeakPolarHBondContact O-CD2 3.33Å; Y235-F239 PolarHBondContact O-N 3.13Å; K236-F239 PolarHBondContact O-N 3.16Å; F239-A241 VanDerWaalsContact C-N 3.31Å; F239-A241 PolarHBondContact O-N 2.9Å; F239-Q242 CarbonylContact O-C 3.55Å; F239-Q242 PolarHBondContact O-N 3.43Å; F239-Q242 VanDerWaalsContact O-N 3.12Å; F239-K243 PolarHBondContact O-N 3.13Å; F239-I244 CarbonylContact C-O 3.58Å; F239-I244 HydrophobicContact CB-CG1 4.02Å; F239-I244 HydrophobicContact CD1-CB 4.47Å; F239-I244 HydrophobicContact CD1-CD1 3.85Å; F239-I244 HydrophobicContact CD1-CG1 3.69Å; F239-I244 HydrophobicContact CD2-CD1 4.39Å; F239-I244 HydrophobicContact CE1-CD1 4Å; F239-I244 HydrophobicContact CE1-CG1 4.29Å; F239-I244 HydrophobicContact CG-CD1 4.05Å; F239-I244 HydrophobicContact CG-CG1 3.89Å; F239-I244 HydrophobicContact CZ-CD1 4.31Å; F239-I244 WeakPolarHBondContact O-CG1 3.41Å; F239-I244 PolarHBondContact O-N 3.34Å
240E98.5Very high98.5Very high114 Ų11469.5 Ų69.553%0.53334%0.338SS..Hα-helixtrans-60.4-40.1176.7-72.9173.717600111.7K236 Q242 K243K236-E240 WeakPolarHBondContact CE-OE1 3.34Å; K236-E240 HydrophobicContact CG-CG 4.47Å; K236-E240 WeakPolarHBondContact CG-OE1 3.34Å; K236-E240 WeakPolarHBondContact O-CB 3.28Å; K236-E240 WeakPolarHBondContact O-CG 3.25Å; K236-E240 PolarHBondContact O-N 3.46Å; E240-Q242 VanDerWaalsContact C-N 3.28Å; E240-Q242 PolarHBondContact O-N 2.97Å; E240-K243 PolarHBondContact O-N 2.94Å
241A98.5Very high98.5Very high85 Ų8570 Ų7070%0.70234%0.34SS*.Hα-helixtrans-61.8-32.9176.100000113.3S237 F239S237-A241 WeakPolarHBondContact O-CB 3.41Å; S237-A241 PolarHBondContact O-N 3.01Å; F239-A241 VanDerWaalsContact C-N 3.31Å; F239-A241 PolarHBondContact O-N 2.9Å
242Q98.2Very high98.3Very high92 Ų9273.1 Ų73.143%0.4336%0.358SS..THydrogen-bonded Turntrans-92.32.3175.5-66.3-1682200113.7L201 Q238 F239 E240 I244L201-Q242 PolarHBondContact O-NE2 3.49Å; L201-Q242 PolarHBondContact O-OE1 3.1Å; Q238-Q242 PolarHBondContact O-N 2.77Å; F239-Q242 CarbonylContact O-C 3.55Å; F239-Q242 PolarHBondContact O-N 3.43Å; F239-Q242 VanDerWaalsContact O-N 3.12Å; E240-Q242 VanDerWaalsContact C-N 3.28Å; E240-Q242 PolarHBondContact O-N 2.97Å; Q242-I244 HydrophobicContact CB-CD1 4.34Å; Q242-I244 HydrophobicContact CB-CG1 4.07Å; Q242-I244 PolarHBondContact O-N 2.87Å
243K98.4Very high98.3Very high189 Ų18972.8 Ų72.882%0.82236%0.357SS*.THydrogen-bonded Turntrans56.934.9-176.2-54.5177.5-179.8178.10113.4F239 E240F239-K243 PolarHBondContact O-N 3.13Å; E240-K243 PolarHBondContact O-N 2.94Å
244I98.5Very high98.2Very high14 Ų1465.9 Ų65.97%0.07233%0.327CS..  trans-111.8167171.659.5173.2000109.7L201 G204 W205 F239 Q242L201-I244 HydrophobicContact CD2-CD1 4.28Å; G204-I244 VanDerWaalsContact O-CG2 3.32Å; G204-I244 WeakPolarHBondContact O-CG2 3.42Å; W205-I244 WeakPolarHBondContact O-CD1 3.23Å; F239-I244 CarbonylContact C-O 3.58Å; F239-I244 HydrophobicContact CB-CG1 4.02Å; F239-I244 HydrophobicContact CD1-CB 4.47Å; F239-I244 HydrophobicContact CD1-CD1 3.85Å; F239-I244 HydrophobicContact CD1-CG1 3.69Å; F239-I244 HydrophobicContact CD2-CD1 4.39Å; F239-I244 HydrophobicContact CE1-CD1 4Å; F239-I244 HydrophobicContact CE1-CG1 4.29Å; F239-I244 HydrophobicContact CG-CD1 4.05Å; F239-I244 HydrophobicContact CG-CG1 3.89Å; F239-I244 HydrophobicContact CZ-CD1 4.31Å; F239-I244 WeakPolarHBondContact O-CG1 3.41Å; F239-I244 PolarHBondContact O-N 3.34Å; Q242-I244 HydrophobicContact CB-CD1 4.34Å; Q242-I244 HydrophobicContact CB-CG1 4.07Å; Q242-I244 PolarHBondContact O-N 2.87Å
245W98.6Very high98.2Very high118 Ų11863.5 Ų63.545%0.44732%0.319SS..  trans-136.3160.8-178.164.598.7000111.6P206 L207 Y208P206-W245 VanDerWaalsContact CA-O 3.28Å; P206-W245 WeakPolarHBondContact CA-O 3.41Å; P206-W245 HydrophobicContact CB-CD2 3.73Å; P206-W245 HydrophobicContact CB-CE3 4.01Å; P206-W245 HydrophobicContact CB-CG 4.27Å; P206-W245 HydrophobicContact CB-CH2 4.08Å; P206-W245 HydrophobicContact CB-CZ2 3.82Å; P206-W245 HydrophobicContact CB-CZ3 4.17Å; P206-W245 HydrophobicContact CG-CH2 3.92Å; P206-W245 HydrophobicContact CG-CZ2 3.93Å; P206-W245 HydrophobicContact CG-CZ3 4.27Å; L207-W245 PolarHBondContact N-O 3.12Å; Y208-W245 AromaticContact CE1-NE1 3.94Å; Y208-W245 AromaticContact CZ-NE1 3.69Å; Y208-W245 WeakPolarHBondContact OH-CZ2 3.44Å; Y208-W245 PolarHBondContact OH-NE1 3.36Å
246Y98.7Very high98.1Very high16 Ų1664.9 Ų64.96%0.06333%0.333CS..EExtended strand (participates in β ladder)trans-108.7138.8166.1163.7-112.6000109F197 L207 L209 F227 Y231F197-Y246 HydrophobicContact CE1-CD1 4.18Å; F197-Y246 AromaticContact CE1-CD2 3.69Å; F197-Y246 HydrophobicContact CE1-CD2 3.69Å; F197-Y246 HydrophobicContact CE1-CE2 4.31Å; F197-Y246 AromaticContact CE1-CG 3.62Å; F197-Y246 HydrophobicContact CE1-CG 3.62Å; F197-Y246 HydrophobicContact CZ-CD1 4.28Å; F197-Y246 HydrophobicContact CZ-CD2 4.09Å; F197-Y246 HydrophobicContact CZ-CE1 4.46Å; F197-Y246 HydrophobicContact CZ-CE2 4.28Å; F197-Y246 HydrophobicContact CZ-CG 4.11Å; L207-Y246 HydrophobicContact CB-CD2 4.31Å; L207-Y246 HydrophobicContact CD2-CD2 3.95Å; L207-Y246 HydrophobicContact CD2-CE2 4.48Å; L207-Y246 HydrophobicContact CG-CD2 3.98Å; L207-Y246 WeakPolarHBondContact O-CA 3.38Å; L209-Y246 HydrophobicContact CB-CE2 3.88Å; F227-Y246 HydrophobicContact CB-CE2 4.47Å; F227-Y246 VanDerWaalsContact CB-OH 3.23Å; F227-Y246 WeakPolarHBondContact CB-OH 3.48Å; F227-Y246 AromaticContact CD1-CE2 3.97Å; F227-Y246 HydrophobicContact CD1-CE2 3.97Å; Y231-Y246 AromaticContact CD1-CD1 3.87Å; Y231-Y246 HydrophobicContact CD1-CD1 3.87Å; Y231-Y246 HydrophobicContact CD2-CD1 4.01Å; Y231-Y246 HydrophobicContact CD2-CG 4.06Å; Y231-Y246 HydrophobicContact CE1-CD1 4.46Å; Y231-Y246 HydrophobicContact CE2-CG 4.48Å; Y231-Y246 AromaticContact CG-CD1 3.6Å; Y231-Y246 HydrophobicContact CG-CD1 3.6Å; Y231-Y246 HydrophobicContact CG-CG 4.13Å
247E98.4Very high98Very high63 Ų6364 Ų6429%0.29433%0.33SS..EExtended strand (participates in β ladder)trans-141.4137.7174.5-169.9-177.2164.300110.8L207 Y208 L209 R249L207-E247 PolarHBondContact O-N 2.65Å; Y208-E247 VanDerWaalsContact CA-O 3.27Å; Y208-E247 WeakPolarHBondContact CA-O 3.43Å; Y208-E247 HydrophobicContact CD1-CB 3.84Å; Y208-E247 HydrophobicContact CE1-CB 3.89Å; Y208-E247 HydrophobicContact CE1-CG 4.5Å; Y208-E247 WeakPolarHBondContact CE1-OE2 3.37Å; L209-E247 PolarHBondContact N-O 3.15Å; E247-R249 VanDerWaalsContact CD-NE 3.25Å; E247-R249 HydrophobicContact CG-CG 4.17Å; E247-R249 IonicContact OE1-CZ 2.75Å; E247-R249 IonicContact OE1-NE 2.72Å; E247-R249 PolarHBondContact OE1-NE 3Å; E247-R249 IonicContact OE1-NH2 2.86Å; E247-R249 PolarHBondContact OE1-NH2 3.06Å; E247-R249 IonicContact OE2-CZ 2.96Å; E247-R249 IonicContact OE2-NE 3.6Å; E247-R249 PolarHBondContact OE2-NE 2.97Å; E247-R249 IonicContact OE2-NH2 3.69Å; E247-R249 PolarHBondContact OE2-NH2 2.8Å
248H98.5Very high98Very high39 Ų3960.2 Ų60.218%0.18130%0.303CS..EExtended strand (participates in β ladder)trans-88133.7163.9171.4-93.1000109.8L209 T211 N213 K224L209-H248 CarbonylContact O-C 3.57Å; L209-H248 WeakPolarHBondContact O-CA 3.38Å; L209-H248 PolarHBondContact O-CD2 2.99Å; T211-H248 PolarHBondContact OG1-NE2 3.41Å; N213-H248 PolarHBondContact OD1-CE1 2.76Å; K224-H248 HydrophobicContact CG-CB 4.08Å
249R98.2Very high97.9Very high48 Ų4860.8 Ų60.818%0.18131%0.307CS..EExtended strand (participates in β ladder)trans-128.9157.5174.7-72.4-173.6173.4-111.9-4112.1Y208 L209 S210 T211 E247 D253 M254Y208-R249 HydrophobicContact CD1-CG 4.26Å; L209-R249 PolarHBondContact O-N 3.25Å; S210-R249 VanDerWaalsContact CA-O 3.25Å; S210-R249 WeakPolarHBondContact CA-O 3.37Å; T211-R249 PolarHBondContact N-O 3.07Å; T211-R249 VanDerWaalsContact N-O 3.14Å; E247-R249 VanDerWaalsContact CD-NE 3.25Å; E247-R249 HydrophobicContact CG-CG 4.17Å; E247-R249 IonicContact OE1-CZ 2.75Å; E247-R249 IonicContact OE1-NE 2.72Å; E247-R249 PolarHBondContact OE1-NE 3Å; E247-R249 IonicContact OE1-NH2 2.86Å; E247-R249 PolarHBondContact OE1-NH2 3.06Å; E247-R249 IonicContact OE2-CZ 2.96Å; E247-R249 IonicContact OE2-NE 3.6Å; E247-R249 PolarHBondContact OE2-NE 2.97Å; E247-R249 IonicContact OE2-NH2 3.69Å; E247-R249 PolarHBondContact OE2-NH2 2.8Å; R249-D253 IonicContact CZ-OD2 3.16Å; R249-D253 IonicContact NH1-OD2 2.75Å; R249-D253 PolarHBondContact NH1-OD2 2.89Å; R249-M254 HydrophobicContact CB-CB 4.11Å; R249-M254 HydrophobicContact CB-SD 4.39Å
250L98.3Very high97.7Very high52 Ų5268.8 Ų68.827%0.27234%0.342SS..EExtended strand (participates in β ladder)trans-71.4138.7167.4-62.4179.1000109.6T211 N213 T214 D252 D253 M254T211-L250 CarbonylContact O-C 3.59Å; T211-L250 VanDerWaalsContact O-CA 3.25Å; T211-L250 WeakPolarHBondContact O-CA 3.11Å; N213-L250 WeakPolarHBondContact OD1-CD2 3.35Å; T214-L250 HydrophobicContact CG2-CD1 4.14Å; T214-L250 HydrophobicContact CG2-CD2 3.97Å; L250-D252 VanDerWaalsContact C-N 3.28Å; L250-D252 WeakPolarHBondContact CB-OD1 3.27Å; L250-D252 PolarHBondContact O-N 2.89Å; L250-D253 HydrophobicContact CB-CB 4.45Å; L250-D253 PolarHBondContact O-N 2.86Å; L250-D253 VanDerWaalsContact O-N 3.11Å; L250-M254 WeakPolarHBondContact O-CB 3.33Å; L250-M254 PolarHBondContact O-N 2.93Å
251I97.7Very high97.7Very high22 Ų2264.3 Ų64.311%0.11332%0.323CS..Hα-helixtrans-56-39.9-174.7-177.765.2000113.3S210 T211 K212 M254 V255 W267 D273S210-I251 WeakPolarHBondContact OG-CD1 3.31Å; T211-I251 PolarHBondContact O-N 2.97Å; K212-I251 HydrophobicContact CB-CG2 4.24Å; K212-I251 HydrophobicContact CD-CG2 3.89Å; I251-M254 PolarHBondContact O-N 2.88Å; I251-V255 VanDerWaalsContact O-CG2 3.26Å; I251-V255 WeakPolarHBondContact O-CG2 3.37Å; I251-V255 PolarHBondContact O-N 2.95Å; I251-W267 HydrophobicContact CD1-CZ2 3.93Å; I251-D273 HydrophobicContact CD1-CB 4.03Å; I251-D273 HydrophobicContact CG1-CB 4.47Å
252D96Very high97.6Very high89 Ų8966 Ų6648%0.47632%0.317SS..Hα-helixtrans-67.3-40.9176.852.7-38.7000113.2K212 L250 A256K212-D252 IonicContact NZ-OD1 3.31Å; K212-D252 PolarHBondContact NZ-OD1 3.49Å; K212-D252 IonicContact NZ-OD2 3.23Å; K212-D252 PolarHBondContact NZ-OD2 3.09Å; L250-D252 VanDerWaalsContact C-N 3.28Å; L250-D252 WeakPolarHBondContact CB-OD1 3.27Å; L250-D252 PolarHBondContact O-N 2.89Å; D252-A256 PolarHBondContact O-N 2.6Å
253D97.3Very high97.5Very high74 Ų7462.2 Ų62.240%0.39630%0.302SS..Hα-helixtrans-65.6-42.3172.6-18062.9000111R249 L250 V255 A256 Q257R249-D253 IonicContact CZ-OD2 3.16Å; R249-D253 IonicContact NH1-OD2 2.75Å; R249-D253 PolarHBondContact NH1-OD2 2.89Å; L250-D253 HydrophobicContact CB-CB 4.45Å; L250-D253 PolarHBondContact O-N 2.86Å; L250-D253 VanDerWaalsContact O-N 3.11Å; D253-V255 VanDerWaalsContact C-N 3.35Å; D253-V255 PolarHBondContact O-N 3.47Å; D253-A256 PolarHBondContact O-N 3.01Å; D253-A256 VanDerWaalsContact O-N 3.15Å; D253-Q257 WeakPolarHBondContact O-CB 3.48Å; D253-Q257 PolarHBondContact O-N 2.85Å
254M98Very high97.5Very high1 Ų153.6 Ų53.61%0.00527%0.268CS..Hα-helixtrans-65.4-37.1-178.7-169.359.5-159.800112.3Y208 R249 L250 I251 Q257 A258 F265 W267Y208-M254 HydrophobicContact CD1-CE 4.32Å; Y208-M254 HydrophobicContact CD1-SD 4.02Å; Y208-M254 HydrophobicContact CD2-CE 3.69Å; Y208-M254 HydrophobicContact CD2-SD 4.45Å; Y208-M254 HydrophobicContact CE2-CE 4.4Å; Y208-M254 HydrophobicContact CG-CE 3.64Å; Y208-M254 HydrophobicContact CG-SD 3.84Å; R249-M254 HydrophobicContact CB-CB 4.11Å; R249-M254 HydrophobicContact CB-SD 4.39Å; L250-M254 WeakPolarHBondContact O-CB 3.33Å; L250-M254 PolarHBondContact O-N 2.93Å; I251-M254 PolarHBondContact O-N 2.88Å; M254-Q257 PolarHBondContact O-N 2.9Å; M254-Q257 HydrophobicContact SD-CB 4.48Å; M254-A258 VanDerWaalsContact O-CB 3.28Å; M254-A258 WeakPolarHBondContact O-CB 3.35Å; M254-A258 PolarHBondContact O-N 3.4Å; M254-F265 HydrophobicContact CE-CD2 3.75Å; M254-F265 HydrophobicContact CE-CE2 3.25Å; M254-F265 HydrophobicContact CE-CZ 3.83Å; M254-W267 HydrophobicContact CB-CZ2 4.11Å; M254-W267 HydrophobicContact CE-CD2 4.27Å; M254-W267 HydrophobicContact CE-CG 4.23Å; M254-W267 HydrophobicContact CG-CD2 4.12Å; M254-W267 VanDerWaalsContact CG-CE2 3.43Å; M254-W267 HydrophobicContact CG-CG 4.43Å; M254-W267 HydrophobicContact CG-CZ2 3.71Å; M254-W267 VanDerWaalsContact CG-NE1 3.32Å
255V97.6Very high97.5Very high47 Ų4753.4 Ų53.429%0.28527%0.266SS..Hα-helixtrans-59.3-47.9171.6169.50000110.5I251 D253 Q257 A258 M259 W267I251-V255 VanDerWaalsContact O-CG2 3.26Å; I251-V255 WeakPolarHBondContact O-CG2 3.37Å; I251-V255 PolarHBondContact O-N 2.95Å; D253-V255 VanDerWaalsContact C-N 3.35Å; D253-V255 PolarHBondContact O-N 3.47Å; V255-Q257 PolarHBondContact O-N 3.11Å; V255-A258 PolarHBondContact O-N 3.33Å; V255-M259 WeakPolarHBondContact O-CG 3.35Å; V255-M259 PolarHBondContact O-N 2.81Å; V255-W267 HydrophobicContact CB-CH2 4.47Å; V255-W267 HydrophobicContact CG2-CH2 3.82Å; V255-W267 HydrophobicContact CG2-CZ2 4.05Å
256A97Very high97.5Very high43 Ų4347.8 Ų47.836%0.35525%0.245SC..Hα-helixtrans-65-38.8178.400000112.4D252 D253 M259 K260D252-A256 PolarHBondContact O-N 2.6Å; D253-A256 PolarHBondContact O-N 3.01Å; D253-A256 VanDerWaalsContact O-N 3.15Å; A256-M259 PolarHBondContact O-N 2.85Å; A256-K260 WeakPolarHBondContact O-CG 3.14Å; A256-K260 PolarHBondContact O-N 3.22Å
257Q96.6Very high97.5Very high67 Ų6747.1 Ų47.131%0.31324%0.242SC..Hα-helixtrans-67.3-42.9177.5-178.858.523.300111.7D253 M254 V255 M259 K260 S261D253-Q257 WeakPolarHBondContact O-CB 3.48Å; D253-Q257 PolarHBondContact O-N 2.85Å; M254-Q257 PolarHBondContact O-N 2.9Å; M254-Q257 HydrophobicContact SD-CB 4.48Å; V255-Q257 PolarHBondContact O-N 3.11Å; Q257-M259 VanDerWaalsContact C-N 3.31Å; Q257-M259 PolarHBondContact O-N 3.18Å; Q257-K260 PolarHBondContact O-N 2.88Å; Q257-K260 VanDerWaalsContact O-N 3.15Å; Q257-S261 WeakPolarHBondContact O-CB 3.49Å; Q257-S261 PolarHBondContact O-N 3.16Å
258A97.6Very high97.5Very high2 Ų244.1 Ų44.12%0.01723%0.228CC..Hα-helixtrans-56.3-48.3175.500000110.2W124 M254 V255 K260 S261 F265 W267W124-A258 PolarHBondContact NE1-O 2.72Å; M254-A258 VanDerWaalsContact O-CB 3.28Å; M254-A258 WeakPolarHBondContact O-CB 3.35Å; M254-A258 PolarHBondContact O-N 3.4Å; V255-A258 PolarHBondContact O-N 3.33Å; A258-K260 VanDerWaalsContact C-N 3.26Å; A258-K260 PolarHBondContact O-N 3.06Å; A258-S261 PolarHBondContact O-N 2.85Å; A258-S261 VanDerWaalsContact O-N 3.15Å; A258-S261 PolarHBondContact O-OG 3.37Å; A258-F265 HydrophobicContact CB-CZ 3.93Å; A258-W267 HydrophobicContact CB-CE3 4.22Å; A258-W267 HydrophobicContact CB-CH2 4.21Å; A258-W267 HydrophobicContact CB-CZ3 3.72Å
259M96.3Very high97.5Very high101 Ų10142.2 Ų42.250%0.49822%0.22SC..Hα-helixtrans-61.5-28.6178.7-67.2-62.6-66.900114.3V121 W124 V255 A256 Q257V121-M259 HydrophobicContact CB-CE 4.47Å; V121-M259 HydrophobicContact CG1-CE 3.97Å; V121-M259 HydrophobicContact CG1-SD 4.23Å; V121-M259 HydrophobicContact CG2-CE 3.65Å; V121-M259 HydrophobicContact CG2-SD 3.89Å; W124-M259 HydrophobicContact CH2-SD 4.37Å; W124-M259 HydrophobicContact CZ2-SD 3.87Å; V255-M259 WeakPolarHBondContact O-CG 3.35Å; V255-M259 PolarHBondContact O-N 2.81Å; A256-M259 PolarHBondContact O-N 2.85Å; Q257-M259 VanDerWaalsContact C-N 3.31Å; Q257-M259 PolarHBondContact O-N 3.18Å
260K95.7Very high97.4Very high169 Ų16941 Ų4174%0.73522%0.215SC*.Hα-helixtrans-89.4-15.6178.2-68.2172.6-174.4173.30113.8A256 Q257 A258A256-K260 WeakPolarHBondContact O-CG 3.14Å; A256-K260 PolarHBondContact O-N 3.22Å; Q257-K260 PolarHBondContact O-N 2.88Å; Q257-K260 VanDerWaalsContact O-N 3.15Å; A258-K260 VanDerWaalsContact C-N 3.26Å; A258-K260 PolarHBondContact O-N 3.06Å
261S96.9Very high97.2Very high19 Ų1938.7 Ų38.713%0.13320%0.204CC..SBendtrans-78.2170.3-175.475.70000112.6Q257 A258 G263 F265Q257-S261 WeakPolarHBondContact O-CB 3.49Å; Q257-S261 PolarHBondContact O-N 3.16Å; A258-S261 PolarHBondContact O-N 2.85Å; A258-S261 VanDerWaalsContact O-N 3.15Å; A258-S261 PolarHBondContact O-OG 3.37Å; S261-G263 VanDerWaalsContact C-N 3.27Å; S261-G263 PolarHBondContact OG-N 3.38Å; S261-G263 VanDerWaalsContact OG-N 3.09Å; S261-F265 WeakPolarHBondContact OG-CE1 3.27Å
262E96.8Very high97.1Very high120 Ų12043 Ų4356%0.56122%0.219SC*.  trans-87.78.1166.6-62.4-176.5163.400113.2G123 V125 K126G123-E262 WeakPolarHBondContact O-CA 3.28Å; V125-E262 PolarHBondContact N-O 2.91Å; K126-E262 PolarHBondContact N-O 3.42Å
263G96.7Very high97.2Very high13 Ų1340.4 Ų40.413%0.13421%0.205CC..  trans74.3-157.5-164.200000112.7S261S261-G263 VanDerWaalsContact C-N 3.27Å; S261-G263 PolarHBondContact OG-N 3.38Å; S261-G263 VanDerWaalsContact OG-N 3.09Å
264G97.4Very high97.1Very high9 Ų936.9 Ų36.99%0.09319%0.186CC..  trans81.241.7176.200000113.9P127P127-G264 WeakPolarHBondContact O-CA 3.24Å; P127-G264 PolarHBondContact O-N 3.43Å
265F98.4Very high96.8Very high9 Ų938.7 Ų38.74%0.03920%0.196CC..EExtended strand (participates in β ladder)trans-146.4159.5177.158.9-89.5000111.2I128 I129 P206 Y208 M254 A258 S261 W267I128-F265 HydrophobicContact CB-CZ 4.4Å; I128-F265 HydrophobicContact CD1-CE1 3.92Å; I128-F265 HydrophobicContact CD1-CZ 3.65Å; I128-F265 HydrophobicContact CG1-CD1 4.38Å; I128-F265 HydrophobicContact CG1-CE1 3.69Å; I128-F265 HydrophobicContact CG1-CE2 4.31Å; I128-F265 HydrophobicContact CG1-CZ 3.66Å; I128-F265 HydrophobicContact CG2-CD2 4.26Å; I128-F265 HydrophobicContact CG2-CE2 3.68Å; I128-F265 HydrophobicContact CG2-CZ 3.84Å; I129-F265 PolarHBondContact N-O 2.99Å; I129-F265 VanDerWaalsContact N-O 3.12Å; P206-F265 HydrophobicContact CG-CB 3.96Å; P206-F265 WeakPolarHBondContact O-CA 3.32Å; P206-F265 WeakPolarHBondContact O-CB 3.38Å; Y208-F265 HydrophobicContact CD2-CB 3.92Å; Y208-F265 AromaticContact CD2-CD2 3.79Å; Y208-F265 HydrophobicContact CD2-CD2 3.79Å; Y208-F265 HydrophobicContact CD2-CG 4.01Å; Y208-F265 HydrophobicContact CE2-CB 3.78Å; Y208-F265 HydrophobicContact CE2-CD2 4.26Å; Y208-F265 HydrophobicContact CE2-CG 4.02Å; M254-F265 HydrophobicContact CE-CD2 3.75Å; M254-F265 HydrophobicContact CE-CE2 3.25Å; M254-F265 HydrophobicContact CE-CZ 3.83Å; A258-F265 HydrophobicContact CB-CZ 3.93Å; S261-F265 WeakPolarHBondContact OG-CE1 3.27Å; F265-W267 HydrophobicContact CD2-CB 4.03Å; F265-W267 HydrophobicContact CE2-CB 3.83Å; F265-W267 HydrophobicContact CE2-CD2 4.36Å; F265-W267 HydrophobicContact CE2-CE3 4.21Å; F265-W267 HydrophobicContact CE2-CG 4.23Å
266I98.6Very high96.7Very high0 Ų039.1 Ų39.10%020%0.199CC..EExtended strand (participates in β ladder)trans-91.6131.5167.8-45.3-53.8000108F108 I129 M199 A200 K203 W205 P206 L207 Y208F108-I266 HydrophobicContact CE1-CG2 4.44Å; I129-I266 HydrophobicContact CB-CD1 3.68Å; I129-I266 HydrophobicContact CD1-CD1 3.66Å; I129-I266 HydrophobicContact CG1-CD1 4.07Å; I129-I266 HydrophobicContact CG2-CD1 4.16Å; I129-I266 CarbonylContact O-C 3.54Å; I129-I266 WeakPolarHBondContact O-CA 3.45Å; M199-I266 HydrophobicContact CG-CD1 3.82Å; M199-I266 HydrophobicContact CG-CG1 4.29Å; M199-I266 HydrophobicContact CG-CG2 4.43Å; A200-I266 HydrophobicContact CB-CG1 3.82Å; K203-I266 HydrophobicContact CB-CD1 4.42Å; K203-I266 HydrophobicContact CG-CD1 4.27Å; W205-I266 HydrophobicContact CE3-CD1 4.12Å; P206-I266 PolarHBondContact O-N 3.04Å; L207-I266 WeakPolarHBondContact CA-O 3.34Å; L207-I266 HydrophobicContact CD1-CB 3.66Å; L207-I266 HydrophobicContact CD1-CG2 3.6Å; Y208-I266 PolarHBondContact N-O 3.48Å
267W98.7Very high96.6Very high2 Ų238.7 Ų38.71%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-118.798.7178.8-169.8-0.2000109.6I128 I129 I130 G131 Y208 S210 I251 M254 V255 A258 F265 C269 Q277 V281I128-W267 HydrophobicContact CG2-CB 4.4Å; I128-W267 HydrophobicContact CG2-CE3 4.31Å; I129-W267 PolarHBondContact O-N 2.85Å; I130-W267 CarbonylContact C-O 3.59Å; I130-W267 WeakPolarHBondContact CA-O 3.4Å; I130-W267 HydrophobicContact CD1-CB 3.77Å; I130-W267 HydrophobicContact CD1-CD2 3.83Å; I130-W267 HydrophobicContact CD1-CE3 3.41Å; I130-W267 VanDerWaalsContact CD1-CE3 3.41Å; I130-W267 HydrophobicContact CD1-CG 4.03Å; I130-W267 HydrophobicContact CD1-CZ3 4.21Å; G131-W267 PolarHBondContact N-O 2.99Å; Y208-W267 CarbonylContact O-C 3.57Å; S210-W267 PolarHBondContact OG-NE1 2.77Å; I251-W267 HydrophobicContact CD1-CZ2 3.93Å; M254-W267 HydrophobicContact CB-CZ2 4.11Å; M254-W267 HydrophobicContact CE-CD2 4.27Å; M254-W267 HydrophobicContact CE-CG 4.23Å; M254-W267 HydrophobicContact CG-CD2 4.12Å; M254-W267 VanDerWaalsContact CG-CE2 3.43Å; M254-W267 HydrophobicContact CG-CG 4.43Å; M254-W267 HydrophobicContact CG-CZ2 3.71Å; M254-W267 VanDerWaalsContact CG-NE1 3.32Å; V255-W267 HydrophobicContact CB-CH2 4.47Å; V255-W267 HydrophobicContact CG2-CH2 3.82Å; V255-W267 HydrophobicContact CG2-CZ2 4.05Å; A258-W267 HydrophobicContact CB-CE3 4.22Å; A258-W267 HydrophobicContact CB-CH2 4.21Å; A258-W267 HydrophobicContact CB-CZ3 3.72Å; F265-W267 HydrophobicContact CD2-CB 4.03Å; F265-W267 HydrophobicContact CE2-CB 3.83Å; F265-W267 HydrophobicContact CE2-CD2 4.36Å; F265-W267 HydrophobicContact CE2-CE3 4.21Å; F265-W267 HydrophobicContact CE2-CG 4.23Å; W267-C269 PolarHBondContact NE1-SG 3.32Å; W267-Q277 HydrophobicContact CH2-CB 4.2Å; W267-Q277 HydrophobicContact CH2-CG 3.88Å; W267-Q277 HydrophobicContact CZ2-CG 4.18Å; W267-Q277 HydrophobicContact CZ3-CB 4.3Å; W267-Q277 HydrophobicContact CZ3-CG 4.47Å; W267-V281 HydrophobicContact CZ3-CG2 4.46Å
268A98.6Very high96.5Very high0 Ų035.5 Ų35.50%018%0.175CC..EExtended strand (participates in β ladder)trans-78.3117.2174.900000110.2G131 F192 L207 Y208 L209 S210 F227G131-A268 CarbonylContact O-C 3.5Å; G131-A268 WeakPolarHBondContact O-CA 2.94Å; F192-A268 HydrophobicContact CE1-CB 4.25Å; F192-A268 HydrophobicContact CE2-CB 4.07Å; F192-A268 HydrophobicContact CZ-CB 3.53Å; L207-A268 HydrophobicContact CD1-CB 3.97Å; Y208-A268 PolarHBondContact O-N 2.82Å; L209-A268 HydrophobicContact CB-CB 4.48Å; L209-A268 HydrophobicContact CD1-CB 4.15Å; S210-A268 PolarHBondContact N-O 3.43Å; F227-A268 HydrophobicContact CE1-CB 4.12Å; F227-A268 HydrophobicContact CZ-CB 4.34Å
269C98.5Very high96.2Very high0 Ų038.3 Ų38.30%019%0.189CC..EExtended strand (participates in β ladder)trans-119.4146.9-179.1-63.70000111.3G131 H133 F192 W267 D273 G274G131-C269 PolarHBondContact O-N 2.91Å; H133-C269 PolarHBondContact N-O 3.14Å; F192-C269 WeakPolarHBondContact CZ-O 3.34Å; W267-C269 PolarHBondContact NE1-SG 3.32Å; C269-D273 HydrophobicContact CB-CB 4.06Å; C269-G274 VanDerWaalsContact CB-N 3.29Å
270K96.9Very high96.1Very high21 Ų2136.2 Ų36.29%0.09118%0.184CC..  trans-58.6169.9163.8-68.6-163.1-56.9170.90111.1T211 D220 F223 Y272 D273 G274T211-K270 HydrophobicContact CG2-CG 4.35Å; D220-K270 VanDerWaalsContact CG-NZ 3.3Å; D220-K270 WeakPolarHBondContact OD1-CE 3.4Å; D220-K270 IonicContact OD1-NZ 2.94Å; D220-K270 PolarHBondContact OD1-NZ 3.45Å; D220-K270 WeakPolarHBondContact OD2-CE 3.35Å; D220-K270 IonicContact OD2-NZ 3.04Å; D220-K270 PolarHBondContact OD2-NZ 3.24Å; D220-K270 VanDerWaalsContact OD2-NZ 3.08Å; F223-K270 HydrophobicContact CE1-CG 4.29Å; F223-K270 HydrophobicContact CZ-CG 4.44Å; K270-Y272 PolarHBondContact O-N 2.83Å; K270-D273 PolarHBondContact O-N 2.91Å; K270-G274 PolarHBondContact O-N 3.4Å
271N94.7Very high96.1Very high5 Ų528.3 Ų28.33%0.02715%0.15CC..Hα-helixtrans-57.2-51.5-166-161.1-11.5000113.4R132 H133 G136 D137 Y139 D275R132-N271 PolarHBondContact NE-O 2.68Å; R132-N271 VanDerWaalsContact NE-O 3.17Å; R132-N271 PolarHBondContact NE-OD1 2.95Å; R132-N271 PolarHBondContact NH2-OD1 3.38Å; H133-N271 WeakPolarHBondContact O-CA 3.18Å; H133-N271 WeakPolarHBondContact O-CB 3.07Å; G136-N271 PolarHBondContact O-ND2 3.38Å; D137-N271 HydrophobicContact CB-CB 3.91Å; D137-N271 WeakPolarHBondContact OD2-CB 3.24Å; D137-N271 PolarHBondContact OD2-N 3.1Å; Y139-N271 HydrophobicContact CD2-CB 3.98Å; Y139-N271 VanDerWaalsContact CD2-ND2 3.33Å; Y139-N271 WeakPolarHBondContact CD2-ND2 3.36Å; Y139-N271 HydrophobicContact CE2-CB 4.29Å; N271-D275 PolarHBondContact O-N 3.1Å; N271-D275 VanDerWaalsContact O-N 3.1Å
272Y95.1Very high95.8Very high111 Ų11127.4 Ų27.444%0.43514%0.144SC..Hα-helixtrans-71.3-46-179.1-177.8-109.6000113Q138 Y139 K270 G274 D275 V276Q138-Y272 VanDerWaalsContact CD-CD2 3.45Å; Q138-Y272 HydrophobicContact CG-CD2 4.49Å; Q138-Y272 VanDerWaalsContact OE1-CB 3.3Å; Q138-Y272 VanDerWaalsContact OE1-CG 3.24Å; Y139-Y272 HydrophobicContact CE2-CD2 4.23Å; K270-Y272 PolarHBondContact O-N 2.83Å; Y272-G274 VanDerWaalsContact C-N 3.26Å; Y272-G274 PolarHBondContact O-N 3.39Å; Y272-D275 WeakPolarHBondContact O-CB 3.39Å; Y272-D275 PolarHBondContact O-N 2.87Å; Y272-D275 VanDerWaalsContact O-N 3.08Å; Y272-V276 HydrophobicContact CD1-CG2 4.41Å; Y272-V276 HydrophobicContact CD2-CG2 4.26Å; Y272-V276 HydrophobicContact CE1-CG2 3.99Å; Y272-V276 HydrophobicContact CE2-CG2 3.83Å; Y272-V276 PolarHBondContact O-N 3.38Å
273D97.2Very high95.6Very high35 Ų3525.4 Ų25.419%0.18714%0.135CC..Hα-helixtrans-59.1-42.2177.7-61.8-47.1000110.5I251 C269 K270 D275 V276 Q277I251-D273 HydrophobicContact CD1-CB 4.03Å; I251-D273 HydrophobicContact CG1-CB 4.47Å; C269-D273 HydrophobicContact CB-CB 4.06Å; K270-D273 PolarHBondContact O-N 2.91Å; D273-D275 VanDerWaalsContact C-N 3.32Å; D273-D275 PolarHBondContact O-N 2.98Å; D273-V276 PolarHBondContact O-N 2.98Å; D273-Q277 WeakPolarHBondContact O-CB 3.39Å; D273-Q277 WeakPolarHBondContact O-CG 3.23Å; D273-Q277 PolarHBondContact O-N 2.82Å
274G95.9Very high95.4Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-67.1-32.1177.100000113C269 K270 Y272 S278C269-G274 VanDerWaalsContact CB-N 3.29Å; K270-G274 PolarHBondContact O-N 3.4Å; Y272-G274 VanDerWaalsContact C-N 3.26Å; Y272-G274 PolarHBondContact O-N 3.39Å; G274-S278 WeakPolarHBondContact O-CB 2.97Å; G274-S278 PolarHBondContact O-N 2.88Å; G274-S278 PolarHBondContact O-OG 2.79Å
275D92.2Very high95.2Very high39 Ų3925.2 Ų25.221%0.20913%0.128CC..Hα-helixtrans-63.4-58.4172.8-148.35.4000110.1R132 Y139 N271 Y272 D273 S278 D279R132-D275 IonicContact CZ-OD1 3.61Å; R132-D275 IonicContact CZ-OD2 3.41Å; R132-D275 IonicContact NH1-OD1 3.88Å; R132-D275 PolarHBondContact NH1-OD1 2.67Å; R132-D275 IonicContact NH1-OD2 3.4Å; R132-D275 PolarHBondContact NH1-OD2 2.86Å; R132-D275 VanDerWaalsContact NH2-CG 3.32Å; R132-D275 IonicContact NH2-OD1 3.18Å; R132-D275 IonicContact NH2-OD2 2.78Å; R132-D275 PolarHBondContact NH2-OD2 3.46Å; Y139-D275 WeakPolarHBondContact CE1-OD2 3.42Å; Y139-D275 VanDerWaalsContact CZ-OD2 3.25Å; Y139-D275 WeakPolarHBondContact OH-CB 3.49Å; Y139-D275 VanDerWaalsContact OH-CG 3.31Å; Y139-D275 PolarHBondContact OH-OD2 3.3Å; N271-D275 PolarHBondContact O-N 3.1Å; N271-D275 VanDerWaalsContact O-N 3.1Å; Y272-D275 WeakPolarHBondContact O-CB 3.39Å; Y272-D275 PolarHBondContact O-N 2.87Å; Y272-D275 VanDerWaalsContact O-N 3.08Å; D273-D275 VanDerWaalsContact C-N 3.32Å; D273-D275 PolarHBondContact O-N 2.98Å; D275-S278 PolarHBondContact O-N 3.47Å; D275-S278 PolarHBondContact O-OG 3.28Å; D275-D279 PolarHBondContact O-N 2.91Å
276V94.3Very high94.7Very high56 Ų5625 Ų2534%0.33913%0.129SC..Hα-helixtrans-67.3-45.7-174.5177.60000112.6Y272 D273 S278 D279 S280Y272-V276 HydrophobicContact CD1-CG2 4.41Å; Y272-V276 HydrophobicContact CD2-CG2 4.26Å; Y272-V276 HydrophobicContact CE1-CG2 3.99Å; Y272-V276 HydrophobicContact CE2-CG2 3.83Å; Y272-V276 PolarHBondContact O-N 3.38Å; D273-V276 PolarHBondContact O-N 2.98Å; V276-S278 VanDerWaalsContact C-N 3.32Å; V276-S278 PolarHBondContact O-N 3.35Å; V276-D279 PolarHBondContact O-N 3.24Å; V276-S280 PolarHBondContact O-N 2.89Å; V276-S280 VanDerWaalsContact O-N 3.1Å; V276-S280 PolarHBondContact O-OG 2.84Å
277Q95.8Very high94.1Very high35 Ų3525.6 Ų25.616%0.16413%0.133CC..Hα-helixtrans-70.3-30.8-177.3-63.9-55.1-41.500111.6W267 D273 S280 V281W267-Q277 HydrophobicContact CH2-CB 4.2Å; W267-Q277 HydrophobicContact CH2-CG 3.88Å; W267-Q277 HydrophobicContact CZ2-CG 4.18Å; W267-Q277 HydrophobicContact CZ3-CB 4.3Å; W267-Q277 HydrophobicContact CZ3-CG 4.47Å; D273-Q277 WeakPolarHBondContact O-CB 3.39Å; D273-Q277 WeakPolarHBondContact O-CG 3.23Å; D273-Q277 PolarHBondContact O-N 2.82Å; Q277-S280 PolarHBondContact O-N 3.15Å; Q277-V281 WeakPolarHBondContact O-CB 3.28Å; Q277-V281 VanDerWaalsContact O-CG2 3.27Å; Q277-V281 WeakPolarHBondContact O-CG2 3.47Å; Q277-V281 PolarHBondContact O-N 3.43Å
278S94.4Very high93.4Very high0 Ų028.2 Ų28.20%015%0.147CC..Hα-helixtrans-64.1-41.5176.170.90000112.9R109 G274 D275 V276 V281 A282R109-S278 VanDerWaalsContact CD-OG 3.28Å; R109-S278 WeakPolarHBondContact CD-OG 3.47Å; R109-S278 PolarHBondContact NH1-OG 3.18Å; G274-S278 WeakPolarHBondContact O-CB 2.97Å; G274-S278 PolarHBondContact O-N 2.88Å; G274-S278 PolarHBondContact O-OG 2.79Å; D275-S278 PolarHBondContact O-N 3.47Å; D275-S278 PolarHBondContact O-OG 3.28Å; V276-S278 VanDerWaalsContact C-N 3.32Å; V276-S278 PolarHBondContact O-N 3.35Å; S278-V281 PolarHBondContact O-N 3.32Å; S278-A282 WeakPolarHBondContact O-CB 3.42Å; S278-A282 PolarHBondContact O-N 2.97Å
279D92Very high92.8Very high60 Ų6028.6 Ų28.632%0.32115%0.151SC..Hα-helixtrans-69.2-37.6175.6-74.16.9000111.4R109 D275 V276 A282 Q283R109-D279 IonicContact NH1-OD1 3.86Å; R109-D279 PolarHBondContact NH1-OD1 3.2Å; D275-D279 PolarHBondContact O-N 2.91Å; V276-D279 PolarHBondContact O-N 3.24Å; D279-A282 PolarHBondContact O-N 3.31Å; D279-Q283 WeakPolarHBondContact O-CB 3.41Å; D279-Q283 PolarHBondContact O-N 3.29Å
280S94.3Very high92.5Very high57 Ų5728.9 Ų28.940%0.39915%0.152SC..Hα-helixtrans-62.1-44.1174.9-58.30000111.6V276 Q277 G284V276-S280 PolarHBondContact O-N 2.89Å; V276-S280 VanDerWaalsContact O-N 3.1Å; V276-S280 PolarHBondContact O-OG 2.84Å; Q277-S280 PolarHBondContact O-N 3.15Å; S280-G284 PolarHBondContact O-N 2.8Å
281V94.9Very high92.4Very high3 Ų328 Ų282%0.01815%0.149CC..Hα-helixtrans-64.6-47.8175.9168.90000110.5W124 I128 I130 W267 Q277 S278 Q283 G284 Y285W124-V281 HydrophobicContact CH2-CB 4.41Å; W124-V281 HydrophobicContact CH2-CG2 3.93Å; W124-V281 HydrophobicContact CZ3-CB 4.34Å; W124-V281 HydrophobicContact CZ3-CG1 4.26Å; W124-V281 HydrophobicContact CZ3-CG2 4.33Å; I128-V281 HydrophobicContact CB-CG1 4Å; I128-V281 HydrophobicContact CG2-CG1 4.41Å; I128-V281 HydrophobicContact CG2-CG2 4.39Å; I130-V281 HydrophobicContact CD1-CG2 4.06Å; I130-V281 HydrophobicContact CG1-CB 4.49Å; I130-V281 HydrophobicContact CG1-CG2 4.29Å; W267-V281 HydrophobicContact CZ3-CG2 4.46Å; Q277-V281 WeakPolarHBondContact O-CB 3.28Å; Q277-V281 VanDerWaalsContact O-CG2 3.27Å; Q277-V281 WeakPolarHBondContact O-CG2 3.47Å; Q277-V281 PolarHBondContact O-N 3.43Å; S278-V281 PolarHBondContact O-N 3.32Å; V281-Q283 PolarHBondContact O-N 2.89Å; V281-G284 WeakPolarHBondContact O-CA 3.46Å; V281-G284 PolarHBondContact O-N 2.87Å; V281-G284 VanDerWaalsContact O-N 3.1Å; V281-Y285 HydrophobicContact CG1-CD2 3.92Å; V281-Y285 HydrophobicContact CG1-CE2 3.67Å; V281-Y285 WeakPolarHBondContact O-CD2 3.39Å; V281-Y285 PolarHBondContact O-N 2.94Å; V281-Y285 VanDerWaalsContact O-N 3.09Å
282A91.5Very high92.5Very high0 Ų028.1 Ų28.10%015%0.149CC..Hα-helixtrans-56.3-49.1178.200000112S278 D279 G284 Y285 G286 L288 M291S278-A282 WeakPolarHBondContact O-CB 3.42Å; S278-A282 PolarHBondContact O-N 2.97Å; D279-A282 PolarHBondContact O-N 3.31Å; A282-G284 VanDerWaalsContact C-N 3.31Å; A282-G284 PolarHBondContact O-N 2.95Å; A282-Y285 PolarHBondContact O-N 3.47Å; A282-G286 PolarHBondContact O-N 3.4Å; A282-L288 HydrophobicContact CB-CG 4.33Å; A282-M291 HydrophobicContact CB-CB 4.19Å; A282-M291 HydrophobicContact CB-CE 3.66Å; A282-M291 HydrophobicContact CB-CG 4.49Å; A282-M291 HydrophobicContact CB-SD 3.55Å; A282-M291 VanDerWaalsContact CB-SD 3.55Å
283Q90.9Very high92.5Very high78 Ų7823 Ų2336%0.36413%0.129SC..Hα-helixtrans-66.2-35.1177.7-168.250.772.500111.9L120 D279 V281 Y285 G286 L288L120-Q283 HydrophobicContact CD1-CG 3.93Å; L120-Q283 WeakPolarHBondContact CD1-O 3.39Å; D279-Q283 WeakPolarHBondContact O-CB 3.41Å; D279-Q283 PolarHBondContact O-N 3.29Å; V281-Q283 PolarHBondContact O-N 2.89Å; Q283-Y285 VanDerWaalsContact C-N 3.25Å; Q283-Y285 PolarHBondContact O-N 2.9Å; Q283-G286 PolarHBondContact NE2-O 3.26Å; Q283-G286 WeakPolarHBondContact O-CA 3.37Å; Q283-G286 PolarHBondContact O-N 3.48Å; Q283-L288 HydrophobicContact CB-CD1 3.7Å; Q283-L288 HydrophobicContact CG-CD1 4.2Å
284G93.4Very high92.5Very high4 Ų422.4 Ų22.44%0.04113%0.127CC..Hα-helixtrans-59.1-33.6174.800000113.5R119 L120 V121 S280 V281 A282 G286R119-G284 CarbonylContact C-O 3.59Å; L120-G284 PolarHBondContact N-O 2.97Å; V121-G284 PolarHBondContact N-O 3.18Å; S280-G284 PolarHBondContact O-N 2.8Å; V281-G284 WeakPolarHBondContact O-CA 3.46Å; V281-G284 PolarHBondContact O-N 2.87Å; V281-G284 VanDerWaalsContact O-N 3.1Å; A282-G284 VanDerWaalsContact C-N 3.31Å; A282-G284 PolarHBondContact O-N 2.95Å; G284-G286 VanDerWaalsContact C-N 3.34Å
285Y92.4Very high92.5Very high14 Ų1422.4 Ų22.46%0.05513%0.127CC..THydrogen-bonded Turntrans-82.8-4.8172.2-74.5-75.5000114.6A111 I113 R119 W124 K126 P127 I128 V281 A282 Q283A111-Y285 HydrophobicContact CB-CD1 4.38Å; A111-Y285 HydrophobicContact CB-CD2 3.26Å; A111-Y285 HydrophobicContact CB-CE2 3.81Å; A111-Y285 HydrophobicContact CB-CG 3.62Å; I113-Y285 HydrophobicContact CD1-CD1 4.13Å; I113-Y285 HydrophobicContact CD1-CE1 3.83Å; I113-Y285 HydrophobicContact CG1-CD1 3.96Å; I113-Y285 HydrophobicContact CG1-CE1 4.19Å; R119-Y285 HydrophobicContact CG-CD1 4.35Å; W124-Y285 HydrophobicContact CB-CE1 3.7Å; W124-Y285 HydrophobicContact CD2-CE2 4.31Å; W124-Y285 AromaticContact CE3-CD2 3.87Å; W124-Y285 HydrophobicContact CE3-CD2 3.87Å; W124-Y285 HydrophobicContact CE3-CE1 4.25Å; W124-Y285 AromaticContact CE3-CE2 3.51Å; W124-Y285 HydrophobicContact CE3-CE2 3.51Å; W124-Y285 HydrophobicContact CE3-CG 4.36Å; W124-Y285 AromaticContact CE3-CZ 3.69Å; W124-Y285 HydrophobicContact CZ3-CD2 4.17Å; W124-Y285 AromaticContact CZ3-CE2 3.99Å; W124-Y285 HydrophobicContact CZ3-CE2 3.99Å; K126-Y285 PolarHBondContact O-OH 2.92Å; P127-Y285 VanDerWaalsContact CA-OH 3.3Å; P127-Y285 WeakPolarHBondContact CA-OH 3.29Å; I128-Y285 PolarHBondContact N-OH 3.29Å; I128-Y285 VanDerWaalsContact N-OH 3.14Å; V281-Y285 HydrophobicContact CG1-CD2 3.92Å; V281-Y285 HydrophobicContact CG1-CE2 3.67Å; V281-Y285 WeakPolarHBondContact O-CD2 3.39Å; V281-Y285 PolarHBondContact O-N 2.94Å; V281-Y285 VanDerWaalsContact O-N 3.09Å; A282-Y285 PolarHBondContact O-N 3.47Å; Q283-Y285 VanDerWaalsContact C-N 3.25Å; Q283-Y285 PolarHBondContact O-N 2.9Å
286G87.7Confident92.7Very high4 Ų422 Ų224%0.04113%0.126CC..THydrogen-bonded Turntrans128.5-39.916900000114.5A282 Q283 G284 C379A282-G286 PolarHBondContact O-N 3.4Å; Q283-G286 PolarHBondContact NE2-O 3.26Å; Q283-G286 WeakPolarHBondContact O-CA 3.37Å; Q283-G286 PolarHBondContact O-N 3.48Å; G284-G286 VanDerWaalsContact C-N 3.34Å; G286-C379 PolarHBondContact O-SG 3.39Å
287S87.7Confident92.6Very high13 Ų1319.5 Ų19.59%0.09111%0.111CC..  trans-153.2135.3-176.8177.30000112G289 M290 D375S287-G289 PolarHBondContact O-N 3.47Å; S287-G289 PolarHBondContact OG-N 2.8Å; S287-M290 PolarHBondContact O-N 2.87Å; S287-D375 PolarHBondContact OG-OD2 3.19Å
288L82.2Confident92.2Very high57 Ų5720.6 Ų20.630%0.29812%0.121SC..THydrogen-bonded Turntrans-57.7-28.9170.9-85.672000112.4A282 Q283 M290A282-L288 HydrophobicContact CB-CG 4.33Å; Q283-L288 HydrophobicContact CB-CD1 3.7Å; Q283-L288 HydrophobicContact CG-CD1 4.2Å; L288-M290 PolarHBondContact O-N 3.06Å
289G87.1Confident91.9Very high8 Ų824.6 Ų24.68%0.08214%0.143CC..THydrogen-bonded Turntrans-70.3-9.8177.800000114.1S287 A331S287-G289 PolarHBondContact O-N 3.47Å; S287-G289 PolarHBondContact OG-N 2.8Å; G289-A331 WeakPolarHBondContact O-CB 3.3Å; G289-A331 PolarHBondContact O-N 3.1Å
290M92.7Very high91.6Very high7 Ų723.6 Ų23.63%0.03415%0.146CC..SBendtrans-106.951.4-179.1-61.1-59.8-66.900110.4I112 C114 S287 L288 I330 I367 L376I112-M290 HydrophobicContact CB-CB 4.31Å; I112-M290 HydrophobicContact CB-CE 4.1Å; I112-M290 HydrophobicContact CG2-CE 3.73Å; I112-M290 PolarHBondContact N-O 3.31Å; C114-M290 WeakPolarHBondContact SG-CE 3.3Å; S287-M290 PolarHBondContact O-N 2.87Å; L288-M290 PolarHBondContact O-N 3.06Å; M290-I330 HydrophobicContact CE-CG2 4.02Å; M290-I330 HydrophobicContact SD-CB 3.89Å; M290-I330 HydrophobicContact SD-CG1 4.06Å; M290-I330 HydrophobicContact SD-CG2 3.73Å; M290-I367 HydrophobicContact CE-CD1 3.7Å; M290-I367 HydrophobicContact SD-CD1 4.12Å; M290-L376 HydrophobicContact CG-CD2 3.7Å; M290-L376 HydrophobicContact SD-CD1 4.14Å; M290-L376 HydrophobicContact SD-CD2 4.09Å
291M94.4Very high91.6Very high3 Ų326.7 Ų26.72%0.01515%0.153CC..EExtended strand (participates in β ladder)trans-143.2138178.8-177.4165.767.300110.8R109 E110 A282 A308R109-M291 HydrophobicContact CB-CE 4.32Å; R109-M291 HydrophobicContact CB-CG 4.24Å; R109-M291 HydrophobicContact CB-SD 3.7Å; R109-M291 HydrophobicContact CG-CE 4.15Å; R109-M291 HydrophobicContact CG-SD 4.16Å; E110-M291 WeakPolarHBondContact O-CA 3.42Å; A282-M291 HydrophobicContact CB-CB 4.19Å; A282-M291 HydrophobicContact CB-CE 3.66Å; A282-M291 HydrophobicContact CB-CG 4.49Å; A282-M291 HydrophobicContact CB-SD 3.55Å; A282-M291 VanDerWaalsContact CB-SD 3.55Å; M291-A308 HydrophobicContact CB-CB 4.07Å; M291-A308 HydrophobicContact CE-CB 3.72Å; M291-A308 HydrophobicContact CG-CB 4.24Å
292T96.1Very high91.7Very high6 Ų626.7 Ų26.74%0.03715%0.152CC..EExtended strand (participates in β ladder)trans-84.9150.7170.166.50000110.3R109 E110 I112 F334R109-T292 VanDerWaalsContact CA-O 3.25Å; R109-T292 WeakPolarHBondContact CA-O 3.24Å; E110-T292 WeakPolarHBondContact CB-OG1 3.42Å; E110-T292 PolarHBondContact N-O 3.22Å; E110-T292 PolarHBondContact N-OG1 2.99Å; E110-T292 PolarHBondContact O-N 2.67Å; E110-T292 PolarHBondContact O-OG1 3.07Å; E110-T292 VanDerWaalsContact O-OG1 3.13Å; I112-T292 HydrophobicContact CD1-CG2 3.91Å; I112-T292 HydrophobicContact CG1-CG2 3.78Å; T292-F334 HydrophobicContact CG2-CB 3.98Å; T292-F334 HydrophobicContact CG2-CD1 3.48Å; T292-F334 VanDerWaalsContact CG2-CD1 3.48Å; T292-F334 HydrophobicContact CG2-CE1 4.36Å; T292-F334 HydrophobicContact CG2-CG 4.12Å
293S95.9Very high92Very high3 Ų326.9 Ų26.92%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-138.4112.3173.7-173.50000108.9F108 A305 E306F108-S293 WeakPolarHBondContact O-CA 3.21Å; S293-A305 WeakPolarHBondContact O-CA 3.11Å; S293-E306 WeakPolarHBondContact CB-O 3.44Å; S293-E306 PolarHBondContact O-N 3.23Å
294V97Very high92.3Very high23 Ų2323.2 Ų23.214%0.13914%0.137CC..EExtended strand (participates in β ladder)trans-130.1115.9-177.1-175.40000109.7F108 V296 V303 E304 A305 R338F108-V294 PolarHBondContact N-O 3Å; F108-V294 PolarHBondContact O-N 3.47Å; V294-V296 HydrophobicContact CG1-CG2 4.14Å; V294-V303 HydrophobicContact CG1-CB 4.28Å; V294-E304 CarbonylContact C-O 3.43Å; V294-E304 WeakPolarHBondContact CA-O 3.39Å; V294-A305 HydrophobicContact CG2-CB 4.24Å; V294-R338 HydrophobicContact CG2-CB 3.88Å; V294-R338 HydrophobicContact CG2-CG 3.98Å
295L96.2Very high92.5Very high1 Ų123 Ų231%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-77123.9165.6179.873.2000109.1R100 L103 T106 V107 V303 E304R100-L295 HydrophobicContact CG-CD1 4.3Å; R100-L295 HydrophobicContact CG-CD2 4.06Å; L103-L295 HydrophobicContact CB-CD2 3.88Å; L103-L295 HydrophobicContact CD1-CD2 3.77Å; L103-L295 HydrophobicContact CG-CD2 4.44Å; T106-L295 WeakPolarHBondContact O-CA 3.5Å; V107-L295 HydrophobicContact CG2-CB 4.36Å; V107-L295 HydrophobicContact CG2-CD1 3.63Å; L295-V303 VanDerWaalsContact O-CA 3.24Å; L295-V303 WeakPolarHBondContact O-CA 3.47Å; L295-E304 HydrophobicContact CB-CB 4.2Å; L295-E304 HydrophobicContact CD2-CB 4.34Å; L295-E304 PolarHBondContact N-O 2.87Å; L295-E304 PolarHBondContact O-N 3.47Å
296V95.8Very high92.6Very high29 Ų2922.6 Ų22.618%0.17613%0.133CC..EExtended strand (participates in β ladder)trans-110.3119.9173.6-179.40000108.7G105 T106 F108 V294 V303G105-V296 CarbonylContact C-O 3.58Å; G105-V296 WeakPolarHBondContact CA-O 3.33Å; T106-V296 PolarHBondContact N-O 2.72Å; T106-V296 PolarHBondContact O-N 3.2Å; F108-V296 HydrophobicContact CD2-CB 4.21Å; F108-V296 HydrophobicContact CD2-CG2 3.79Å; F108-V296 HydrophobicContact CE2-CB 4.1Å; F108-V296 HydrophobicContact CE2-CG2 4.1Å; V294-V296 HydrophobicContact CG1-CG2 4.14Å; V296-V303 HydrophobicContact CG2-CG1 4.42Å
297C93.3Very high92.6Very high5 Ų522.5 Ų22.53%0.03413%0.132CC..  trans-77156.7179.3-61.30000111.5D299 G300 T302C297-D299 WeakPolarHBondContact CB-OD1 3.13Å; C297-D299 PolarHBondContact O-N 3.44Å; C297-D299 VanDerWaalsContact O-N 3.13Å; C297-G300 PolarHBondContact O-N 2.91Å; C297-G300 VanDerWaalsContact O-N 3.1Å; C297-T302 HydrophobicContact CB-CG2 4.36Å; C297-T302 VanDerWaalsContact CB-O 3.26Å; C297-T302 WeakPolarHBondContact CB-O 3.44Å; C297-T302 PolarHBondContact N-O 3.22Å; C297-T302 VanDerWaalsContact SG-CG2 3.59Å; C297-T302 PolarHBondContact SG-O 3.44Å; C297-T302 VanDerWaalsContact SG-O 3.34Å
298P85.9Confident92.5Very high57 Ų5722.3 Ų22.337%0.3713%0.131SC..THydrogen-bonded Turntrans-64.6-18.7-177.6-20.833.7000114.6D191 G300D191-P298 HydrophobicContact CB-CB 3.9Å; D191-P298 HydrophobicContact CB-CG 3.72Å; D191-P298 WeakPolarHBondContact OD2-CG 3.49Å; P298-G300 PolarHBondContact O-N 3.42Å
299D89.6Confident92.5Very high85 Ų8521.3 Ų21.346%0.45513%0.125SC..THydrogen-bonded Turntrans-70.3-9.8176.166.84.8000113.4C297 K301 T302C297-D299 WeakPolarHBondContact CB-OD1 3.13Å; C297-D299 PolarHBondContact O-N 3.44Å; C297-D299 VanDerWaalsContact O-N 3.13Å; D299-K301 PolarHBondContact O-N 3.31Å; D299-K301 VanDerWaalsContact O-N 3.15Å; D299-K301 PolarHBondContact OD1-N 3.27Å; D299-T302 PolarHBondContact OD1-N 3.35Å; D299-T302 WeakPolarHBondContact OD2-CB 3.3Å; D299-T302 PolarHBondContact OD2-OG1 2.84Å
300G85.1Confident92.5Very high38 Ų3823.3 Ų23.339%0.39215%0.146SC..SBendtrans66.56.7-17700000114.5C297 P298C297-G300 PolarHBondContact O-N 2.91Å; C297-G300 VanDerWaalsContact O-N 3.1Å; P298-G300 PolarHBondContact O-N 3.42Å
301K93Very high92.5Very high123 Ų12323.7 Ų23.754%0.53515%0.148SC..SBendtrans-120-34.3-175.5-69-177.7-177179.50112.4N68 D299 H342 L346N68-K301 WeakPolarHBondContact CB-O 3.43Å; D299-K301 PolarHBondContact O-N 3.31Å; D299-K301 VanDerWaalsContact O-N 3.15Å; D299-K301 PolarHBondContact OD1-N 3.27Å; K301-H342 PolarHBondContact O-NE2 2.97Å; K301-L346 HydrophobicContact CB-CD2 4.46Å
302T97.4Very high92.4Very high2 Ų225.6 Ų25.61%0.01216%0.16CC..  trans-92.2126.1-176.6-580000110.1I64 N68 L103 C297 D299I64-T302 HydrophobicContact CG2-CG2 3.62Å; N68-T302 CarbonylContact O-C 3.54Å; N68-T302 VanDerWaalsContact O-CA 3.3Å; N68-T302 WeakPolarHBondContact O-CA 3.42Å; N68-T302 PolarHBondContact OD1-OG1 3.48Å; L103-T302 HydrophobicContact CD2-CG2 4.32Å; C297-T302 HydrophobicContact CB-CG2 4.36Å; C297-T302 VanDerWaalsContact CB-O 3.26Å; C297-T302 WeakPolarHBondContact CB-O 3.44Å; C297-T302 PolarHBondContact N-O 3.22Å; C297-T302 VanDerWaalsContact SG-CG2 3.59Å; C297-T302 PolarHBondContact SG-O 3.44Å; C297-T302 VanDerWaalsContact SG-O 3.34Å; D299-T302 PolarHBondContact OD1-N 3.35Å; D299-T302 WeakPolarHBondContact OD2-CB 3.3Å; D299-T302 PolarHBondContact OD2-OG1 2.84Å
303V97.4Very high92.3Very high5 Ų526.7 Ų26.73%0.0317%0.167CC..EExtended strand (participates in β ladder)trans-130.5150.2173.9-55.50000111.4N68 G70 V294 L295 V296 H342N68-V303 PolarHBondContact O-N 2.91Å; G70-V303 PolarHBondContact N-O 3.3Å; V294-V303 HydrophobicContact CG1-CB 4.28Å; L295-V303 VanDerWaalsContact O-CA 3.24Å; L295-V303 WeakPolarHBondContact O-CA 3.47Å; V296-V303 HydrophobicContact CG2-CG1 4.42Å; V303-H342 HydrophobicContact CG2-CB 3.67Å; V303-H342 WeakPolarHBondContact CG2-CD2 3.37Å; V303-H342 VanDerWaalsContact CG2-CG 3.48Å
304E98Very high92.2Very high1 Ų135.6 Ų35.61%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-128.1123.4168.4-176.8-79.8123.500108M13 I64 G70 K72 I99 L103 V294 L295 E306M13-E304 HydrophobicContact CE-CG 3.97Å; I64-E304 HydrophobicContact CD1-CB 4.48Å; I64-E304 HydrophobicContact CD1-CG 4.06Å; G70-E304 WeakPolarHBondContact O-CA 3.35Å; K72-E304 WeakPolarHBondContact CB-OE1 3.28Å; I99-E304 HydrophobicContact CG2-CG 4.35Å; L103-E304 HydrophobicContact CD1-CB 4Å; V294-E304 CarbonylContact C-O 3.43Å; V294-E304 WeakPolarHBondContact CA-O 3.39Å; L295-E304 HydrophobicContact CB-CB 4.2Å; L295-E304 HydrophobicContact CD2-CB 4.34Å; L295-E304 PolarHBondContact N-O 2.87Å; L295-E304 PolarHBondContact O-N 3.47Å; E304-E306 WeakPolarHBondContact OE1-CB 3.3Å; E304-E306 PolarHBondContact OE1-N 3.4Å
305A97.7Very high92.2Very high0 Ų036.6 Ų36.60%020%0.203CC..EExtended strand (participates in β ladder)trans-112.8124.418000000110.2G70 V71 K72 S293 V294 A335 R338G70-A305 PolarHBondContact O-N 2.63Å; V71-A305 CarbonylContact C-O 3.51Å; V71-A305 WeakPolarHBondContact CA-O 3.34Å; K72-A305 PolarHBondContact N-O 2.71Å; S293-A305 WeakPolarHBondContact O-CA 3.11Å; V294-A305 HydrophobicContact CG2-CB 4.24Å; A305-A335 WeakPolarHBondContact CB-O 3.15Å; A305-R338 HydrophobicContact CB-CB 3.96Å
306E95Very high92.2Very high4 Ų439.6 Ų39.62%0.01922%0.215CC..EExtended strand (participates in β ladder)trans-127.3161.4-177.265.7177.3156.700112.9K72 N96 R100 S293 E304K72-E306 HydrophobicContact CB-CB 3.93Å; K72-E306 HydrophobicContact CG-CB 4.49Å; K72-E306 WeakPolarHBondContact O-CA 3.21Å; N96-E306 PolarHBondContact ND2-OE2 2.76Å; N96-E306 PolarHBondContact OD1-OE2 2.75Å; R100-E306 IonicContact CZ-OE1 2.75Å; R100-E306 IonicContact NE-OE1 2.99Å; R100-E306 IonicContact NH2-OE1 3.51Å; R100-E306 PolarHBondContact NH2-OE1 2.98Å; S293-E306 WeakPolarHBondContact CB-O 3.44Å; S293-E306 PolarHBondContact O-N 3.23Å; E304-E306 WeakPolarHBondContact OE1-CB 3.3Å; E304-E306 PolarHBondContact OE1-N 3.4Å
307A88.2Confident92.3Very high3 Ų343.9 Ų43.93%0.02523%0.228CC..EExtended strand (participates in β ladder)trans-65133.6165.100000110.2K72 H309 A331K72-A307 PolarHBondContact O-N 3.16Å; A307-H309 PolarHBondContact O-N 3.28Å; A307-A331 HydrophobicContact CB-CB 4.42Å
308A83.8Confident92.5Very high9 Ų946 Ų467%0.07424%0.238CC..SBendtrans-73.1-7.5-178.300000114.6R109 M291R109-A308 PolarHBondContact NH2-O 3.47Å; M291-A308 HydrophobicContact CB-CB 4.07Å; M291-A308 HydrophobicContact CE-CB 3.72Å; M291-A308 HydrophobicContact CG-CB 4.24Å
309H83Confident93Very high35 Ų3547.8 Ų47.816%0.16224%0.238CC..SBendtrans-115.4169.4-174.562.358.3000113A74 A307A74-H309 WeakPolarHBondContact CB-O 3.24Å; A307-H309 PolarHBondContact O-N 3.28Å
310G87.2Confident93.3Very high51 Ų5149.4 Ų49.453%0.52624%0.243SC..  trans-72.7-169.5175.600000114.9V312G310-V312 PolarHBondContact O-N 2.82Å
311T92.2Very high93.9Very high14 Ų1454.9 Ų54.99%0.08626%0.256CS..  trans-81.8-5.7-169.8540000115.9D16 E17 M18 T19 A74 I76D16-T311 HydrophobicContact CB-CG2 3.98Å; E17-T311 VanDerWaalsContact OE2-CB 3.23Å; E17-T311 WeakPolarHBondContact OE2-CB 3.17Å; E17-T311 PolarHBondContact OE2-OG1 2.95Å; M18-T311 PolarHBondContact N-O 2.83Å; T19-T311 PolarHBondContact N-O 2.93Å; T19-T311 WeakPolarHBondContact OG1-CA 3.48Å; A74-T311 HydrophobicContact CB-CG2 4.07Å; I76-T311 HydrophobicContact CG1-CG2 4.09Å
312V92.6Very high94Very high43 Ų4352.6 Ų52.626%0.26127%0.267SS..  trans59.851.2175.9-159.10000113.3M18 T19 G310 R314 H315 Y316 T327M18-V312 HydrophobicContact CB-CB 4.16Å; T19-V312 HydrophobicContact CG2-CG2 4.05Å; G310-V312 PolarHBondContact O-N 2.82Å; V312-R314 VanDerWaalsContact C-N 3.28Å; V312-R314 PolarHBondContact O-N 3.19Å; V312-R314 VanDerWaalsContact O-N 3.15Å; V312-H315 HydrophobicContact CG1-CB 3.86Å; V312-H315 PolarHBondContact O-N 2.99Å; V312-H315 VanDerWaalsContact O-N 3.15Å; V312-Y316 PolarHBondContact O-N 2.87Å; V312-T327 HydrophobicContact CB-CG2 4.28Å; V312-T327 HydrophobicContact CG1-CG2 4.07Å; V312-T327 HydrophobicContact CG2-CG2 3.99Å
313T94Very high94Very high30 Ų3057.1 Ų57.118%0.18429%0.288CS..Hα-helixtrans-47.4-42.7-180-490000114.9E17 R82 H315 Y316 R317E17-T313 VanDerWaalsContact CD-OG1 3.24Å; E17-T313 WeakPolarHBondContact OE1-CB 3.38Å; E17-T313 VanDerWaalsContact OE1-CG2 3.29Å; E17-T313 WeakPolarHBondContact OE1-CG2 3.33Å; E17-T313 PolarHBondContact OE1-OG1 3.46Å; E17-T313 VanDerWaalsContact OE1-OG1 3.09Å; E17-T313 WeakPolarHBondContact OE2-CA 3.49Å; E17-T313 WeakPolarHBondContact OE2-CB 3.4Å; E17-T313 PolarHBondContact OE2-N 3.33Å; E17-T313 PolarHBondContact OE2-OG1 3.07Å; R82-T313 PolarHBondContact NH2-OG1 3.19Å; T313-H315 PolarHBondContact O-N 3.06Å; T313-Y316 WeakPolarHBondContact O-CB 3.25Å; T313-Y316 PolarHBondContact O-N 3.02Å; T313-R317 HydrophobicContact CG2-CG 4.43Å; T313-R317 WeakPolarHBondContact O-CG 3.15Å; T313-R317 PolarHBondContact O-N 2.91Å
314R94.7Very high93.8Very high190 Ų19060.8 Ų60.872%0.71731%0.305SS*.Hα-helixtrans-59.7-47.9-177.3179.7-175.9171.9-174.60.5111.1V312 Y316 R317 M318V312-R314 VanDerWaalsContact C-N 3.28Å; V312-R314 PolarHBondContact O-N 3.19Å; V312-R314 VanDerWaalsContact O-N 3.15Å; R314-Y316 VanDerWaalsContact C-N 3.31Å; R314-R317 PolarHBondContact O-N 3.44Å; R314-M318 HydrophobicContact CG-SD 4.43Å; R314-M318 WeakPolarHBondContact O-CG 3.25Å; R314-M318 PolarHBondContact O-N 2.82Å
315H95.8Very high93.7Very high43 Ų4360.9 Ų60.920%0.19931%0.306CS..Hα-helixtrans-68.6-33.7178.6-69.1178.7000111.1M18 V312 T313 R317 M318 Y319 T325 S326 T327M18-H315 HydrophobicContact CB-CB 4.27Å; M18-H315 HydrophobicContact CG-CB 3.84Å; M18-H315 HydrophobicContact SD-CB 4.35Å; V312-H315 HydrophobicContact CG1-CB 3.86Å; V312-H315 PolarHBondContact O-N 2.99Å; V312-H315 VanDerWaalsContact O-N 3.15Å; T313-H315 PolarHBondContact O-N 3.06Å; H315-R317 PolarHBondContact O-N 2.85Å; H315-M318 WeakPolarHBondContact O-CB 3.37Å; H315-M318 PolarHBondContact O-N 3.43Å; H315-Y319 WeakPolarHBondContact O-CB 3.26Å; H315-Y319 PolarHBondContact O-N 3.03Å; H315-T325 HydrophobicContact CB-CG2 3.85Å; H315-T325 WeakPolarHBondContact O-CG2 3.46Å; H315-S326 PolarHBondContact CE1-O 2.98Å; H315-S326 VanDerWaalsContact CE1-O 3.28Å; H315-T327 WeakPolarHBondContact CB-OG1 3.31Å; H315-T327 PolarHBondContact ND1-N 3.45Å; H315-T327 PolarHBondContact ND1-OG1 3.1Å
316Y97.1Very high93.6Very high65 Ų6561.4 Ų61.426%0.25531%0.309SS..Hα-helixtrans-60.7-46.5174.7-173-122.1000112.5E17 V312 T313 R314 M318 Y319 Q320E17-Y316 HydrophobicContact CB-CD1 3.75Å; E17-Y316 HydrophobicContact CB-CD2 4.18Å; E17-Y316 HydrophobicContact CB-CE1 4.39Å; E17-Y316 HydrophobicContact CB-CG 3.62Å; E17-Y316 HydrophobicContact CG-CD1 3.72Å; E17-Y316 HydrophobicContact CG-CE1 4.21Å; E17-Y316 HydrophobicContact CG-CG 4.14Å; V312-Y316 PolarHBondContact O-N 2.87Å; T313-Y316 WeakPolarHBondContact O-CB 3.25Å; T313-Y316 PolarHBondContact O-N 3.02Å; R314-Y316 VanDerWaalsContact C-N 3.31Å; Y316-M318 PolarHBondContact O-N 3.17Å; Y316-Y319 HydrophobicContact CD2-CD1 4.38Å; Y316-Y319 HydrophobicContact CE2-CD1 4.46Å; Y316-Y319 WeakPolarHBondContact O-CB 3.35Å; Y316-Y319 PolarHBondContact O-N 3.49Å; Y316-Q320 HydrophobicContact CE1-CG 4.27Å; Y316-Q320 HydrophobicContact CE2-CG 4.27Å; Y316-Q320 WeakPolarHBondContact O-CG 3.44Å; Y316-Q320 PolarHBondContact O-N 3.49Å
317R96.7Very high93.6Very high119 Ų11961.4 Ų61.445%0.44931%0.31SS..Hα-helixtrans-63.4-30.2176.1-69176.4176174.8-0.8113E85 T313 R314 H315 K321E85-R317 IonicContact OE1-NH2 3.32Å; E85-R317 PolarHBondContact OE1-NH2 2.89Å; E85-R317 IonicContact OE2-NH2 3.68Å; T313-R317 HydrophobicContact CG2-CG 4.43Å; T313-R317 WeakPolarHBondContact O-CG 3.15Å; T313-R317 PolarHBondContact O-N 2.91Å; R314-R317 PolarHBondContact O-N 3.44Å; H315-R317 PolarHBondContact O-N 2.85Å; R317-K321 WeakPolarHBondContact O-CD 3.32Å; R317-K321 WeakPolarHBondContact O-CG 3.21Å
318M97.1Very high93.9Very high50 Ų5061.8 Ų61.825%0.24631%0.311CS..Hα-helixtrans-72.1-48.2172.9-70.6176.271.900110.8R314 H315 Y316 Q320 K321 G322 Q323 E324 T325R314-M318 HydrophobicContact CG-SD 4.43Å; R314-M318 WeakPolarHBondContact O-CG 3.25Å; R314-M318 PolarHBondContact O-N 2.82Å; H315-M318 WeakPolarHBondContact O-CB 3.37Å; H315-M318 PolarHBondContact O-N 3.43Å; Y316-M318 PolarHBondContact O-N 3.17Å; M318-Q320 VanDerWaalsContact C-N 3.33Å; M318-Q320 PolarHBondContact O-N 3.46Å; M318-K321 CarbonylContact O-C 3.55Å; M318-K321 WeakPolarHBondContact O-CA 3.18Å; M318-K321 WeakPolarHBondContact O-CB 3.38Å; M318-K321 PolarHBondContact O-N 3.45Å; M318-G322 PolarHBondContact O-N 3.32Å; M318-Q323 HydrophobicContact CB-CB 3.94Å; M318-Q323 HydrophobicContact CE-CB 4.35Å; M318-Q323 WeakPolarHBondContact O-CB 3.33Å; M318-Q323 PolarHBondContact O-N 2.81Å; M318-E324 WeakPolarHBondContact CE-O 3.37Å; M318-T325 HydrophobicContact CB-CG2 4.07Å
319Y96.5Very high94.5Very high93 Ų9361.3 Ų61.337%0.36531%0.307SS..Hα-helixtrans-56-45.2176.5171-103.9000112.1M18 I21 H315 Y316 K321 G322 F395M18-Y319 HydrophobicContact SD-CG 4.27Å; I21-Y319 HydrophobicContact CD1-CE1 3.85Å; I21-Y319 HydrophobicContact CG1-CD1 4.22Å; I21-Y319 HydrophobicContact CG1-CE1 3.89Å; I21-Y319 HydrophobicContact CG2-CE2 4.44Å; H315-Y319 WeakPolarHBondContact O-CB 3.26Å; H315-Y319 PolarHBondContact O-N 3.03Å; Y316-Y319 HydrophobicContact CD2-CD1 4.38Å; Y316-Y319 HydrophobicContact CE2-CD1 4.46Å; Y316-Y319 WeakPolarHBondContact O-CB 3.35Å; Y316-Y319 PolarHBondContact O-N 3.49Å; Y319-K321 PolarHBondContact O-N 3.41Å; Y319-K321 VanDerWaalsContact O-N 3.12Å; Y319-G322 PolarHBondContact O-N 3.4Å; Y319-F395 HydrophobicContact CD2-CE2 4.35Å; Y319-F395 AromaticContact CD2-CZ 3.87Å; Y319-F395 HydrophobicContact CD2-CZ 3.87Å; Y319-F395 AromaticContact CE2-CZ 3.69Å; Y319-F395 HydrophobicContact CE2-CZ 3.69Å
320Q96.8Very high95.2Very high119 Ų11959.7 Ų59.756%0.55630%0.3SS*.THydrogen-bonded Turntrans-59.1-24.2175.3-72.8180-50.300113.5Y316 M318Y316-Q320 HydrophobicContact CE1-CG 4.27Å; Y316-Q320 HydrophobicContact CE2-CG 4.27Å; Y316-Q320 WeakPolarHBondContact O-CG 3.44Å; Y316-Q320 PolarHBondContact O-N 3.49Å; M318-Q320 VanDerWaalsContact C-N 3.33Å; M318-Q320 PolarHBondContact O-N 3.46Å
321K97.3Very high95.5Very high154 Ų15457.3 Ų57.367%0.6728%0.275SS*.THydrogen-bonded Turntrans-94.37.8176.2-64.5173.8-175.2-177.60112.9R317 M318 Y319 Q323R317-K321 WeakPolarHBondContact O-CD 3.32Å; R317-K321 WeakPolarHBondContact O-CG 3.21Å; M318-K321 CarbonylContact O-C 3.55Å; M318-K321 WeakPolarHBondContact O-CA 3.18Å; M318-K321 WeakPolarHBondContact O-CB 3.38Å; M318-K321 PolarHBondContact O-N 3.45Å; Y319-K321 PolarHBondContact O-N 3.41Å; Y319-K321 VanDerWaalsContact O-N 3.12Å; K321-Q323 HydrophobicContact CB-CG 3.99Å; K321-Q323 PolarHBondContact O-N 3.34Å
322G95.9Very high95.8Very high75 Ų7556.7 Ų56.777%0.77327%0.271SS*.THydrogen-bonded Turntrans67.118-173.500000113.8M318 Y319M318-G322 PolarHBondContact O-N 3.32Å; Y319-G322 PolarHBondContact O-N 3.4Å
323Q96.5Very high96Very high96 Ų9654.6 Ų54.645%0.44926%0.259SS..  trans-85.7151.2178.9-61.8177.5-18.100110.9M318 K321M318-Q323 HydrophobicContact CB-CB 3.94Å; M318-Q323 HydrophobicContact CE-CB 4.35Å; M318-Q323 WeakPolarHBondContact O-CB 3.33Å; M318-Q323 PolarHBondContact O-N 2.81Å; K321-Q323 HydrophobicContact CB-CG 3.99Å; K321-Q323 PolarHBondContact O-N 3.34Å
324E94.1Very high96.2Very high83 Ų8353.4 Ų53.439%0.38825%0.251SS..  trans-61.9137.8177.3-178.4165.5-119.800112.3M318 R388 N393M318-E324 WeakPolarHBondContact CE-O 3.37Å; E324-R388 IonicContact OE1-CZ 2.64Å; E324-R388 IonicContact OE1-NE 3.34Å; E324-R388 PolarHBondContact OE1-NE 2.73Å; E324-R388 IonicContact OE1-NH2 3.12Å; E324-R388 PolarHBondContact OE1-NH2 2.88Å; E324-R388 WeakPolarHBondContact OE2-CD 3.18Å; E324-R388 IonicContact OE2-CZ 3.99Å; E324-R388 IonicContact OE2-NE 3.79Å; E324-R388 PolarHBondContact OE2-NE 3.46Å; E324-N393 HydrophobicContact CG-CB 3.69Å; E324-N393 VanDerWaalsContact OE1-CB 3.3Å; E324-N393 WeakPolarHBondContact OE1-CB 3.36Å; E324-N393 PolarHBondContact OE1-ND2 3.16Å
325T95.9Very high96.4Very high3 Ų344.4 Ų44.42%0.01822%0.218CC..  trans-122.4150.1175.361.90000109.9M18 H315 M318 N393 T394M18-T325 HydrophobicContact CE-CG2 4.43Å; M18-T325 WeakPolarHBondContact CE-OG1 2.96Å; M18-T325 HydrophobicContact SD-CG2 4.27Å; H315-T325 HydrophobicContact CB-CG2 3.85Å; H315-T325 WeakPolarHBondContact O-CG2 3.46Å; M318-T325 HydrophobicContact CB-CG2 4.07Å; T325-N393 CarbonylContact O-C 3.56Å; T325-N393 WeakPolarHBondContact O-CA 3.47Å; T325-N393 VanDerWaalsContact O-CB 3.25Å; T325-N393 WeakPolarHBondContact O-CB 3.5Å; T325-T394 PolarHBondContact O-N 3.18Å; T325-T394 PolarHBondContact O-OG1 3.1Å; T325-T394 PolarHBondContact OG1-OG1 2.8Å
326S95Very high96.5Very high10 Ų1042.4 Ų42.47%0.0721%0.208CC..  trans-132.967.1171.3-169.50000109.1H315 T373 K374 L392 T394H315-S326 PolarHBondContact CE1-O 2.98Å; H315-S326 VanDerWaalsContact CE1-O 3.28Å; S326-T373 WeakPolarHBondContact OG-CB 3.4Å; S326-K374 WeakPolarHBondContact OG-CB 3.32Å; S326-K374 PolarHBondContact OG-N 3.17Å; S326-L392 PolarHBondContact OG-O 3.32Å; S326-T394 WeakPolarHBondContact CA-OG1 3.32Å; S326-T394 PolarHBondContact N-OG1 3.13Å
327T95.1Very high96.6Very high5 Ų539.3 Ų39.33%0.03120%0.196CC..  trans-83.3127.8174.9-48.40000108.7M18 I22 V312 H315 P329 T394M18-T327 HydrophobicContact CG-CG2 4.3Å; M18-T327 VanDerWaalsContact CG-OG1 3.28Å; M18-T327 WeakPolarHBondContact CG-OG1 3.1Å; I22-T327 HydrophobicContact CD1-CG2 3.21Å; V312-T327 HydrophobicContact CB-CG2 4.28Å; V312-T327 HydrophobicContact CG1-CG2 4.07Å; V312-T327 HydrophobicContact CG2-CG2 3.99Å; H315-T327 WeakPolarHBondContact CB-OG1 3.31Å; H315-T327 PolarHBondContact ND1-N 3.45Å; H315-T327 PolarHBondContact ND1-OG1 3.1Å; T327-P329 VanDerWaalsContact O-CD 3.31Å; T327-P329 WeakPolarHBondContact O-CD 3.36Å; T327-T394 PolarHBondContact N-OG1 3.08Å
328N94.6Very high96.7Very high10 Ų1036.9 Ų36.95%0.05319%0.187CC..  trans-73.1116.1176-172.3-21000110.7I330 T373 D375N328-I330 VanDerWaalsContact OD1-CB 3.24Å; N328-I330 WeakPolarHBondContact OD1-CB 3.26Å; N328-I330 WeakPolarHBondContact OD1-CG1 3.33Å; N328-I330 PolarHBondContact OD1-N 3.35Å; N328-T373 WeakPolarHBondContact CB-OG1 3.02Å; N328-D375 PolarHBondContact ND2-OD2 2.94Å
329P96.3Very high96.7Very high0 Ų034.5 Ų34.50%018%0.175CC..  trans-86.3-2.4-17836.9-37.6000113.9I22 T327 A331 S332 I333 F397 M398 L401I22-P329 HydrophobicContact CG2-CB 3.5Å; T327-P329 VanDerWaalsContact O-CD 3.31Å; T327-P329 WeakPolarHBondContact O-CD 3.36Å; P329-A331 PolarHBondContact O-N 3.44Å; P329-S332 WeakPolarHBondContact O-CB 3.07Å; P329-S332 PolarHBondContact O-N 3.24Å; P329-S332 VanDerWaalsContact O-N 3.1Å; P329-I333 HydrophobicContact CB-CD1 4.11Å; P329-I333 HydrophobicContact CB-CG1 4.46Å; P329-I333 HydrophobicContact CG-CD1 4.02Å; P329-I333 WeakPolarHBondContact O-CG1 3.29Å; P329-I333 PolarHBondContact O-N 3.5Å; P329-F397 HydrophobicContact CG-CD1 3.65Å; P329-F397 HydrophobicContact CG-CE1 3.78Å; P329-M398 HydrophobicContact CB-CE 3.59Å; P329-M398 HydrophobicContact CG-CE 3.98Å; P329-L401 HydrophobicContact CG-CD1 4.31Å
330I96.8Very high96.8Very high1 Ų130.1 Ų30.11%0.00516%0.158CC..Hα-helixtrans-62.8-47.7-164.2-64-75.8000112.2I112 M290 N328 S332 I333 F334 I367 F397I112-I330 HydrophobicContact CD1-CG2 3.74Å; I112-I330 HydrophobicContact CG2-CG2 4.48Å; M290-I330 HydrophobicContact CE-CG2 4.02Å; M290-I330 HydrophobicContact SD-CB 3.89Å; M290-I330 HydrophobicContact SD-CG1 4.06Å; M290-I330 HydrophobicContact SD-CG2 3.73Å; N328-I330 VanDerWaalsContact OD1-CB 3.24Å; N328-I330 WeakPolarHBondContact OD1-CB 3.26Å; N328-I330 WeakPolarHBondContact OD1-CG1 3.33Å; N328-I330 PolarHBondContact OD1-N 3.35Å; I330-S332 VanDerWaalsContact C-N 3.26Å; I330-S332 PolarHBondContact O-N 3.45Å; I330-I333 WeakPolarHBondContact O-CB 3.42Å; I330-I333 PolarHBondContact O-N 2.86Å; I330-I333 VanDerWaalsContact O-N 3.14Å; I330-F334 HydrophobicContact CG2-CD2 3.85Å; I330-F334 HydrophobicContact CG2-CE2 3.85Å; I330-F334 VanDerWaalsContact O-CD2 3.28Å; I330-F334 WeakPolarHBondContact O-CD2 3.32Å; I330-F334 PolarHBondContact O-N 3.47Å; I330-I367 HydrophobicContact CD1-CD1 3.77Å; I330-I367 HydrophobicContact CG1-CD1 3.93Å; I330-F397 HydrophobicContact CD1-CE1 3.96Å; I330-F397 HydrophobicContact CD1-CZ 4Å; I330-F397 HydrophobicContact CG1-CE1 4.07Å; I330-F397 HydrophobicContact CG1-CZ 4.41Å
331A95.3Very high96.9Very high0 Ų025.7 Ų25.70%014%0.142CC..Hα-helixtrans-58.1-38.6175.900000112.5G289 A307 P329 F334 A335G289-A331 WeakPolarHBondContact O-CB 3.3Å; G289-A331 PolarHBondContact O-N 3.1Å; A307-A331 HydrophobicContact CB-CB 4.42Å; P329-A331 PolarHBondContact O-N 3.44Å; A331-F334 PolarHBondContact O-N 3.46Å; A331-A335 PolarHBondContact O-N 2.9Å
332S97Very high96.9Very high1 Ų119.7 Ų19.71%0.00712%0.116CC..Hα-helixtrans-69.4-37.5176.2-62.40000112.7I26 P329 I330 F334 A335 W336I26-S332 VanDerWaalsContact CD1-CB 3.47Å; P329-S332 WeakPolarHBondContact O-CB 3.07Å; P329-S332 PolarHBondContact O-N 3.24Å; P329-S332 VanDerWaalsContact O-N 3.1Å; I330-S332 VanDerWaalsContact C-N 3.26Å; I330-S332 PolarHBondContact O-N 3.45Å; S332-F334 VanDerWaalsContact C-N 3.32Å; S332-A335 WeakPolarHBondContact O-CB 3.19Å; S332-A335 PolarHBondContact O-N 3.21Å; S332-W336 PolarHBondContact O-N 2.84Å
333I98.4Very high97.1Very high0 Ų017 Ų170%08%0.082CC..Hα-helixtrans-62-45.4172.3-68.6166.3000109.3I26 L30 P329 I330 A335 W336 T337 L359 L401I26-I333 HydrophobicContact CD1-CG1 3.71Å; I26-I333 HydrophobicContact CG1-CG1 3.76Å; I26-I333 HydrophobicContact CG2-CG1 4.33Å; L30-I333 HydrophobicContact CD1-CD1 3.75Å; L30-I333 HydrophobicContact CD1-CG1 3.96Å; P329-I333 HydrophobicContact CB-CD1 4.11Å; P329-I333 HydrophobicContact CB-CG1 4.46Å; P329-I333 HydrophobicContact CG-CD1 4.02Å; P329-I333 WeakPolarHBondContact O-CG1 3.29Å; P329-I333 PolarHBondContact O-N 3.5Å; I330-I333 WeakPolarHBondContact O-CB 3.42Å; I330-I333 PolarHBondContact O-N 2.86Å; I330-I333 VanDerWaalsContact O-N 3.14Å; I333-A335 VanDerWaalsContact C-N 3.32Å; I333-A335 PolarHBondContact O-N 3.16Å; I333-W336 WeakPolarHBondContact O-CB 3.42Å; I333-W336 PolarHBondContact O-N 3.14Å; I333-W336 VanDerWaalsContact O-N 3.15Å; I333-T337 HydrophobicContact CG2-CG2 4.27Å; I333-T337 PolarHBondContact O-N 3.1Å; I333-T337 PolarHBondContact O-OG1 3.11Å; I333-L359 HydrophobicContact CG2-CD1 4.13Å; I333-L359 HydrophobicContact CG2-CD2 4.04Å; I333-L359 HydrophobicContact CG2-CG 3.77Å; I333-L401 HydrophobicContact CD1-CD1 3.56Å
334F98.1Very high97.1Very high4 Ų412.5 Ų12.52%0.0186%0.062CC..Hα-helixtrans-68.5-30.2179.7-84.4-116.4000112.8I112 T292 I330 A331 S332 W336 T337 R338 E360 I364I112-F334 HydrophobicContact CD1-CB 4.03Å; I112-F334 HydrophobicContact CD1-CD1 3.54Å; I112-F334 HydrophobicContact CD1-CD2 3.76Å; I112-F334 HydrophobicContact CD1-CE1 3.81Å; I112-F334 HydrophobicContact CD1-CE2 4.03Å; I112-F334 HydrophobicContact CD1-CG 3.48Å; I112-F334 VanDerWaalsContact CD1-CG 3.48Å; I112-F334 HydrophobicContact CD1-CZ 4.04Å; I112-F334 HydrophobicContact CG1-CD1 3.92Å; I112-F334 HydrophobicContact CG1-CE1 3.85Å; I112-F334 HydrophobicContact CG1-CG 4.37Å; I112-F334 HydrophobicContact CG1-CZ 4.28Å; I112-F334 HydrophobicContact CG2-CE1 4.06Å; I112-F334 HydrophobicContact CG2-CE2 4.33Å; I112-F334 HydrophobicContact CG2-CZ 3.75Å; T292-F334 HydrophobicContact CG2-CB 3.98Å; T292-F334 HydrophobicContact CG2-CD1 3.48Å; T292-F334 VanDerWaalsContact CG2-CD1 3.48Å; T292-F334 HydrophobicContact CG2-CE1 4.36Å; T292-F334 HydrophobicContact CG2-CG 4.12Å; I330-F334 HydrophobicContact CG2-CD2 3.85Å; I330-F334 HydrophobicContact CG2-CE2 3.85Å; I330-F334 VanDerWaalsContact O-CD2 3.28Å; I330-F334 WeakPolarHBondContact O-CD2 3.32Å; I330-F334 PolarHBondContact O-N 3.47Å; A331-F334 PolarHBondContact O-N 3.46Å; S332-F334 VanDerWaalsContact C-N 3.32Å; F334-W336 VanDerWaalsContact C-N 3.31Å; F334-W336 PolarHBondContact O-N 2.94Å; F334-T337 VanDerWaalsContact CA-OG1 3.28Å; F334-T337 WeakPolarHBondContact CA-OG1 3.48Å; F334-T337 PolarHBondContact O-N 2.89Å; F334-T337 PolarHBondContact O-OG1 2.74Å; F334-R338 WeakPolarHBondContact O-CB 3.43Å; F334-R338 WeakPolarHBondContact O-CG 3.23Å; F334-R338 PolarHBondContact O-N 3.16Å; F334-E360 HydrophobicContact CD1-CG 3.8Å; F334-E360 HydrophobicContact CD2-CG 4.29Å; F334-E360 HydrophobicContact CE1-CB 3.81Å; F334-E360 VanDerWaalsContact CE1-CD 3.45Å; F334-E360 HydrophobicContact CE1-CG 3.52Å; F334-E360 WeakPolarHBondContact CE1-OE2 3.18Å; F334-E360 HydrophobicContact CE2-CB 4.15Å; F334-E360 HydrophobicContact CE2-CG 4.03Å; F334-E360 HydrophobicContact CG-CG 4.22Å; F334-E360 HydrophobicContact CZ-CB 3.57Å; F334-E360 HydrophobicContact CZ-CG 3.65Å; F334-I364 HydrophobicContact CZ-CD1 4.29Å; F334-I364 HydrophobicContact CZ-CG1 4.36Å
335A98Very high97.3Very high2 Ų216.1 Ų16.12%0.0178%0.077CC..Hα-helixtrans-58-46.9169.900000110.8W23 A305 A331 S332 I333 G339W23-A335 HydrophobicContact CH2-CB 4.02Å; W23-A335 HydrophobicContact CZ3-CB 4.07Å; A305-A335 WeakPolarHBondContact CB-O 3.15Å; A331-A335 PolarHBondContact O-N 2.9Å; S332-A335 WeakPolarHBondContact O-CB 3.19Å; S332-A335 PolarHBondContact O-N 3.21Å; I333-A335 VanDerWaalsContact C-N 3.32Å; I333-A335 PolarHBondContact O-N 3.16Å; A335-G339 PolarHBondContact O-N 2.92Å; A335-G339 VanDerWaalsContact O-N 3.17Å
336W98.5Very high97.4Very high0 Ų019 Ų190%09%0.091CC..Hα-helixtrans-63-52.7174-84.6103.7000112.9V10 E12 W23 I26 K27 I31 L37 L39 V71 S332 I333 F334 R338 G339 L340V10-W336 HydrophobicContact CG1-CZ3 4.37Å; E12-W336 HydrophobicContact CB-CH2 4.41Å; E12-W336 HydrophobicContact CG-CH2 4.39Å; E12-W336 HydrophobicContact CG-CZ2 4.25Å; W23-W336 AromaticContact CD2-NE1 3.51Å; W23-W336 AromaticContact CE2-CE2 3.68Å; W23-W336 AromaticContact CE2-CZ2 3.82Å; W23-W336 AromaticContact CE2-NE1 3.15Å; W23-W336 AromaticContact CE3-NE1 3.8Å; W23-W336 AromaticContact CH2-CD1 3.61Å; W23-W336 HydrophobicContact CH2-CG 4.35Å; W23-W336 AromaticContact CH2-NE1 3.46Å; W23-W336 AromaticContact CZ2-CD1 3.81Å; W23-W336 HydrophobicContact CZ2-CD2 4.34Å; W23-W336 AromaticContact CZ2-CE2 3.51Å; W23-W336 HydrophobicContact CZ2-CG 4.5Å; W23-W336 AromaticContact CZ2-CZ2 3.84Å; W23-W336 HydrophobicContact CZ2-CZ2 3.84Å; W23-W336 AromaticContact CZ2-NE1 3.14Å; W23-W336 AromaticContact CZ3-CD1 3.77Å; W23-W336 AromaticContact CZ3-NE1 3.77Å; W23-W336 AromaticContact NE1-CE2 3.93Å; W23-W336 AromaticContact NE1-CZ2 3.61Å; W23-W336 AromaticContact NE1-NE1 3.69Å; I26-W336 HydrophobicContact CG2-CG 4.29Å; K27-W336 HydrophobicContact CD-CH2 4.02Å; K27-W336 HydrophobicContact CD-CZ2 3.63Å; K27-W336 HydrophobicContact CG-CH2 4.12Å; K27-W336 HydrophobicContact CG-CZ2 3.57Å; I31-W336 HydrophobicContact CD1-CB 3.67Å; I31-W336 HydrophobicContact CD1-CD2 3.22Å; I31-W336 HydrophobicContact CD1-CE3 3.46Å; I31-W336 VanDerWaalsContact CD1-CE3 3.46Å; I31-W336 HydrophobicContact CD1-CG 3.33Å; I31-W336 HydrophobicContact CD1-CZ3 4.19Å; L37-W336 HydrophobicContact CD1-CZ3 3.83Å; L39-W336 HydrophobicContact CD1-CH2 3.92Å; L39-W336 HydrophobicContact CD1-CZ3 4.23Å; L39-W336 HydrophobicContact CD2-CH2 4.47Å; V71-W336 HydrophobicContact CB-CD2 4.46Å; V71-W336 HydrophobicContact CB-CE3 4.42Å; V71-W336 HydrophobicContact CG1-CE3 4.29Å; V71-W336 HydrophobicContact CG2-CD2 4.1Å; V71-W336 HydrophobicContact CG2-CE3 3.85Å; V71-W336 HydrophobicContact CG2-CH2 3.73Å; V71-W336 HydrophobicContact CG2-CZ2 3.96Å; V71-W336 HydrophobicContact CG2-CZ3 3.68Å; S332-W336 PolarHBondContact O-N 2.84Å; I333-W336 WeakPolarHBondContact O-CB 3.42Å; I333-W336 PolarHBondContact O-N 3.14Å; I333-W336 VanDerWaalsContact O-N 3.15Å; F334-W336 VanDerWaalsContact C-N 3.31Å; F334-W336 PolarHBondContact O-N 2.94Å; W336-R338 VanDerWaalsContact C-N 3.3Å; W336-R338 PolarHBondContact O-N 3.44Å; W336-G339 PolarHBondContact O-N 2.79Å; W336-L340 WeakPolarHBondContact O-CB 3.44Å; W336-L340 VanDerWaalsContact O-CG 3.3Å; W336-L340 WeakPolarHBondContact O-CG 3.33Å; W336-L340 PolarHBondContact O-N 2.92Å
337T98.6Very high97.5Very high0 Ų022 Ų220%011%0.107CC..Hα-helixtrans-63.8-36-17658.40000112I333 F334 L340 A341 A356 L359 E360I333-T337 HydrophobicContact CG2-CG2 4.27Å; I333-T337 PolarHBondContact O-N 3.1Å; I333-T337 PolarHBondContact O-OG1 3.11Å; F334-T337 VanDerWaalsContact CA-OG1 3.28Å; F334-T337 WeakPolarHBondContact CA-OG1 3.48Å; F334-T337 PolarHBondContact O-N 2.89Å; F334-T337 PolarHBondContact O-OG1 2.74Å; T337-L340 PolarHBondContact O-N 2.78Å; T337-A341 WeakPolarHBondContact O-CB 3.27Å; T337-A341 PolarHBondContact O-N 2.84Å; T337-A356 WeakPolarHBondContact CG2-O 3.49Å; T337-L359 HydrophobicContact CG2-CB 3.82Å; T337-L359 HydrophobicContact CG2-CD2 3.69Å; T337-L359 HydrophobicContact CG2-CG 3.72Å; T337-E360 WeakPolarHBondContact CB-OE1 3.36Å; T337-E360 HydrophobicContact CG2-CG 3.96Å; T337-E360 WeakPolarHBondContact OG1-CG 3.34Å; T337-E360 PolarHBondContact OG1-OE1 3.25Å
338R98.1Very high97.7Very high69 Ų6928.1 Ų28.126%0.2614%0.139SC..Hα-helixtrans-66.2-42175.4-68.3-68.5-177-123.7-8.7111.9V294 A305 F334 W336 H342 E360V294-R338 HydrophobicContact CG2-CB 3.88Å; V294-R338 HydrophobicContact CG2-CG 3.98Å; A305-R338 HydrophobicContact CB-CB 3.96Å; F334-R338 WeakPolarHBondContact O-CB 3.43Å; F334-R338 WeakPolarHBondContact O-CG 3.23Å; F334-R338 PolarHBondContact O-N 3.16Å; W336-R338 VanDerWaalsContact C-N 3.3Å; W336-R338 PolarHBondContact O-N 3.44Å; R338-H342 PolarHBondContact O-N 2.83Å; R338-H342 VanDerWaalsContact O-N 3.09Å; R338-E360 IonicContact CZ-OE1 2.87Å; R338-E360 IonicContact CZ-OE2 2.95Å; R338-E360 IonicContact NE-OE1 3.82Å; R338-E360 IonicContact NH1-OE1 2.63Å; R338-E360 PolarHBondContact NH1-OE1 3.22Å; R338-E360 IonicContact NH1-OE2 3.8Å; R338-E360 PolarHBondContact NH1-OE2 2.93Å; R338-E360 IonicContact NH2-OE1 3.6Å; R338-E360 IonicContact NH2-OE2 2.6Å; R338-E360 PolarHBondContact NH2-OE2 2.98Å
339G98.4Very high97.8Very high0 Ų029.2 Ų29.20%015%0.145CC..Hα-helixtrans-61.3-47.1172.200000112.4V69 A335 W336 H342 R343V69-G339 WeakPolarHBondContact CG1-O 3.19Å; A335-G339 PolarHBondContact O-N 2.92Å; A335-G339 VanDerWaalsContact O-N 3.17Å; W336-G339 PolarHBondContact O-N 2.79Å; G339-H342 PolarHBondContact O-N 3.45Å; G339-R343 WeakPolarHBondContact O-CB 3.38Å; G339-R343 PolarHBondContact O-N 2.87Å
340L98.7Very high97.9Very high0 Ų037.2 Ų37.20%018%0.18CC..Hα-helixtrans-66.8-38.8179.3-66.3179.6000113V10 I31 L37 W336 T337 H342 R343 A344 L352 F355 A356V10-L340 HydrophobicContact CG2-CD2 4.22Å; I31-L340 HydrophobicContact CG2-CD1 4.38Å; L37-L340 HydrophobicContact CD1-CD2 4.16Å; L37-L340 HydrophobicContact CD2-CD2 3.68Å; W336-L340 WeakPolarHBondContact O-CB 3.44Å; W336-L340 VanDerWaalsContact O-CG 3.3Å; W336-L340 WeakPolarHBondContact O-CG 3.33Å; W336-L340 PolarHBondContact O-N 2.92Å; T337-L340 PolarHBondContact O-N 2.78Å; L340-H342 VanDerWaalsContact C-N 3.31Å; L340-H342 PolarHBondContact O-N 3.14Å; L340-R343 PolarHBondContact O-N 3.33Å; L340-A344 VanDerWaalsContact O-CB 3.28Å; L340-A344 WeakPolarHBondContact O-CB 3.33Å; L340-A344 PolarHBondContact O-N 2.81Å; L340-L352 HydrophobicContact CB-CD1 4.28Å; L340-L352 HydrophobicContact CB-CG 4.4Å; L340-L352 HydrophobicContact CD2-CD1 4.31Å; L340-L352 WeakPolarHBondContact O-CD2 3.41Å; L340-F355 HydrophobicContact CD1-CD1 4.29Å; L340-F355 HydrophobicContact CD1-CE1 3.83Å; L340-A356 HydrophobicContact CB-CB 4.24Å
341A98.3Very high97.9Very high27 Ų2742.4 Ų42.422%0.22320%0.204CC..Hα-helixtrans-64.2-38.4175.200000111.3T337 A344 K345 A356T337-A341 WeakPolarHBondContact O-CB 3.27Å; T337-A341 PolarHBondContact O-N 2.84Å; A341-A344 WeakPolarHBondContact O-CB 3.35Å; A341-A344 PolarHBondContact O-N 3.12Å; A341-K345 PolarHBondContact O-N 2.95Å; A341-A356 HydrophobicContact CB-CB 4.03Å
342H98Very high98.1Very high28 Ų2842.4 Ų42.413%0.1320%0.204CC..Hα-helixtrans-70.7-42.6175.6-168.873.3000112.3K301 V303 R338 G339 L340 A344 K345 L346K301-H342 PolarHBondContact O-NE2 2.97Å; V303-H342 HydrophobicContact CG2-CB 3.67Å; V303-H342 WeakPolarHBondContact CG2-CD2 3.37Å; V303-H342 VanDerWaalsContact CG2-CG 3.48Å; R338-H342 PolarHBondContact O-N 2.83Å; R338-H342 VanDerWaalsContact O-N 3.09Å; G339-H342 PolarHBondContact O-N 3.45Å; L340-H342 VanDerWaalsContact C-N 3.31Å; L340-H342 PolarHBondContact O-N 3.14Å; H342-A344 VanDerWaalsContact C-N 3.27Å; H342-A344 PolarHBondContact O-N 3.29Å; H342-K345 WeakPolarHBondContact O-CB 3.46Å; H342-K345 PolarHBondContact O-N 2.91Å; H342-K345 VanDerWaalsContact O-N 3.11Å; H342-L346 WeakPolarHBondContact O-CG 3.48Å; H342-L346 PolarHBondContact O-N 2.82Å
343R98.5Very high98.1Very high17 Ų1743.9 Ų43.96%0.06422%0.217CC..Hα-helixtrans-54.3-46169.4173.148.361-153.4-1.3111.4G7 S9 V10 H67 V69 G339 L340 K345 L346 D347 L352G7-R343 WeakPolarHBondContact O-CG 3.46Å; S9-R343 PolarHBondContact O-NE 2.61Å; S9-R343 PolarHBondContact O-NH2 3.13Å; V10-R343 HydrophobicContact CG2-CG 4.47Å; H67-R343 PolarHBondContact O-NH2 3.38Å; V69-R343 HydrophobicContact CG1-CB 4.47Å; V69-R343 HydrophobicContact CG2-CB 4.02Å; G339-R343 WeakPolarHBondContact O-CB 3.38Å; G339-R343 PolarHBondContact O-N 2.87Å; L340-R343 PolarHBondContact O-N 3.33Å; R343-K345 VanDerWaalsContact C-N 3.27Å; R343-K345 PolarHBondContact O-N 2.9Å; R343-L346 PolarHBondContact O-N 3.13Å; R343-L346 VanDerWaalsContact O-N 3.15Å; R343-D347 VanDerWaalsContact CD-CG 3.45Å; R343-D347 WeakPolarHBondContact CD-OD2 3.4Å; R343-D347 IonicContact CZ-OD1 2.65Å; R343-D347 IonicContact NH1-OD1 3.62Å; R343-D347 PolarHBondContact NH1-OD1 3.46Å; R343-D347 IonicContact NH1-OD2 2.85Å; R343-D347 WeakPolarHBondContact O-CB 3.33Å; R343-D347 PolarHBondContact O-N 3.04Å; R343-L352 HydrophobicContact CB-CD2 4.17Å; R343-L352 HydrophobicContact CG-CD2 3.79Å
344A98.4Very high98.1Very high3 Ų347.9 Ų47.93%0.02523%0.234CC..Hα-helixtrans-59.3-39.1177.400000112.4L340 A341 H342 N348 N349 L352 A353L340-A344 VanDerWaalsContact O-CB 3.28Å; L340-A344 WeakPolarHBondContact O-CB 3.33Å; L340-A344 PolarHBondContact O-N 2.81Å; A341-A344 WeakPolarHBondContact O-CB 3.35Å; A341-A344 PolarHBondContact O-N 3.12Å; H342-A344 VanDerWaalsContact C-N 3.27Å; H342-A344 PolarHBondContact O-N 3.29Å; A344-N348 CarbonylContact O-C 3.59Å; A344-N348 WeakPolarHBondContact O-CA 3.46Å; A344-N348 PolarHBondContact O-N 3.36Å; A344-N349 HydrophobicContact CB-CB 4.48Å; A344-N349 WeakPolarHBondContact CB-O 3.32Å; A344-N349 PolarHBondContact O-N 3.43Å; A344-L352 HydrophobicContact CB-CB 3.86Å; A344-L352 HydrophobicContact CB-CD2 3.94Å; A344-L352 HydrophobicContact CB-CG 3.97Å; A344-A353 HydrophobicContact CB-CB 3.79Å
345K97.6Very high98.1Very high158 Ų15847.7 Ų47.769%0.68723%0.233SC*.Hα-helixtrans-64.6-45.6174.5-178.3-175.5176.8-1750112.1A341 H342 R343 D347 N348A341-K345 PolarHBondContact O-N 2.95Å; H342-K345 WeakPolarHBondContact O-CB 3.46Å; H342-K345 PolarHBondContact O-N 2.91Å; H342-K345 VanDerWaalsContact O-N 3.11Å; R343-K345 VanDerWaalsContact C-N 3.27Å; R343-K345 PolarHBondContact O-N 2.9Å; K345-D347 VanDerWaalsContact C-N 3.31Å; K345-D347 PolarHBondContact O-N 3.39Å; K345-N348 PolarHBondContact O-N 2.78Å
346L97.8Very high98.1Very high63 Ų6347.6 Ų47.633%0.3323%0.232SC..Hα-helixtrans-62.8-39179.1-67.1177.7000112.1N68 V69 K301 H342 R343N68-L346 HydrophobicContact CB-CD1 3.78Å; V69-L346 HydrophobicContact CG2-CD1 3.96Å; K301-L346 HydrophobicContact CB-CD2 4.46Å; H342-L346 WeakPolarHBondContact O-CG 3.48Å; H342-L346 PolarHBondContact O-N 2.82Å; R343-L346 PolarHBondContact O-N 3.13Å; R343-L346 VanDerWaalsContact O-N 3.15Å
347D98Very high98.1Very high74 Ų7451.1 Ų51.140%0.39625%0.251SS..THydrogen-bonded Turntrans-93.20.1-175.2-61.85.2000112.8R343 K345 N349R343-D347 VanDerWaalsContact CD-CG 3.45Å; R343-D347 WeakPolarHBondContact CD-OD2 3.4Å; R343-D347 IonicContact CZ-OD1 2.65Å; R343-D347 IonicContact NH1-OD1 3.62Å; R343-D347 PolarHBondContact NH1-OD1 3.46Å; R343-D347 IonicContact NH1-OD2 2.85Å; R343-D347 WeakPolarHBondContact O-CB 3.33Å; R343-D347 PolarHBondContact O-N 3.04Å; K345-D347 VanDerWaalsContact C-N 3.31Å; K345-D347 PolarHBondContact O-N 3.39Å; D347-N349 HydrophobicContact CB-CB 4.2Å; D347-N349 PolarHBondContact O-N 3.19Å
348N97.9Very high98.1Very high133 Ų13351.1 Ų51.171%0.71125%0.252SS*.THydrogen-bonded Turntrans51.339-171.4-167.832.2000113A344 K345A344-N348 CarbonylContact O-C 3.59Å; A344-N348 WeakPolarHBondContact O-CA 3.46Å; A344-N348 PolarHBondContact O-N 3.36Å; K345-N348 PolarHBondContact O-N 2.78Å
349N97.9Very high98.1Very high33 Ų3347.9 Ų47.918%0.17624%0.239CC..  trans-95.597.2-173.4-175.6-18.5000111.3S6 A344 D347 E351 L352 A353S6-N349 PolarHBondContact O-ND2 2.57Å; A344-N349 HydrophobicContact CB-CB 4.48Å; A344-N349 WeakPolarHBondContact CB-O 3.32Å; A344-N349 PolarHBondContact O-N 3.43Å; D347-N349 HydrophobicContact CB-CB 4.2Å; D347-N349 PolarHBondContact O-N 3.19Å; N349-E351 PolarHBondContact O-N 3.38Å; N349-E351 PolarHBondContact OD1-N 3.23Å; N349-L352 HydrophobicContact CB-CB 4.17Å; N349-L352 PolarHBondContact OD1-N 3.3Å; N349-A353 PolarHBondContact O-N 2.59Å; N349-A353 VanDerWaalsContact O-N 3.1Å
350K97.6Very high98.1Very high168 Ų16848.7 Ų48.773%0.7324%0.243SC*.Hα-helixtrans-66.7-34.1-177.6-64.5-177.8-179178.80113.6F354K350-F354 WeakPolarHBondContact O-CB 3.44Å; K350-F354 PolarHBondContact O-N 2.89Å
351E97.4Very high98.1Very high111 Ų11153.2 Ų53.252%0.51926%0.264SS..Hα-helixtrans-67.2-44.7179.7-68176-176.200110.6I5 N349 F354 F355I5-E351 HydrophobicContact CG1-CB 4.36Å; I5-E351 HydrophobicContact CG2-CB 3.91Å; N349-E351 PolarHBondContact O-N 3.38Å; N349-E351 PolarHBondContact OD1-N 3.23Å; E351-F354 PolarHBondContact O-N 3.2Å; E351-F355 WeakPolarHBondContact O-CB 3.36Å; E351-F355 PolarHBondContact O-N 2.81Å
352L98.2Very high98.1Very high0 Ų052 Ų520%025%0.254CS..Hα-helixtrans-66.6-40.2176.7-173.267.1000112I5 V35 L340 R343 A344 N349 F354 F355 A356I5-L352 HydrophobicContact CG2-CB 4.05Å; I5-L352 HydrophobicContact CG2-CD1 4.36Å; V35-L352 HydrophobicContact CG1-CD1 3.8Å; V35-L352 HydrophobicContact CG2-CD1 4.16Å; L340-L352 HydrophobicContact CB-CD1 4.28Å; L340-L352 HydrophobicContact CB-CG 4.4Å; L340-L352 HydrophobicContact CD2-CD1 4.31Å; L340-L352 WeakPolarHBondContact O-CD2 3.41Å; R343-L352 HydrophobicContact CB-CD2 4.17Å; R343-L352 HydrophobicContact CG-CD2 3.79Å; A344-L352 HydrophobicContact CB-CB 3.86Å; A344-L352 HydrophobicContact CB-CD2 3.94Å; A344-L352 HydrophobicContact CB-CG 3.97Å; N349-L352 HydrophobicContact CB-CB 4.17Å; N349-L352 PolarHBondContact OD1-N 3.3Å; L352-F354 VanDerWaalsContact C-N 3.33Å; L352-F354 PolarHBondContact O-N 3.48Å; L352-F355 HydrophobicContact CD1-CD1 4.34Å; L352-F355 PolarHBondContact O-N 3.42Å; L352-A356 WeakPolarHBondContact O-CB 3.38Å; L352-A356 PolarHBondContact O-N 2.98Å
353A98.2Very high98.1Very high32 Ų3250.7 Ų50.726%0.26425%0.248SC..Hα-helixtrans-61-43.9175.100000111.4A344 N349 N357A344-A353 HydrophobicContact CB-CB 3.79Å; N349-A353 PolarHBondContact O-N 2.59Å; N349-A353 VanDerWaalsContact O-N 3.1Å; A353-N357 VanDerWaalsContact O-CG 3.3Å; A353-N357 PolarHBondContact O-N 3.12Å; A353-N357 VanDerWaalsContact O-N 3.12Å; A353-N357 PolarHBondContact O-ND2 2.95Å
354F97.9Very high98.1Very high83 Ų8351.9 Ų51.936%0.36426%0.255SS..Hα-helixtrans-61.9-47.9175.3177.8-91.5000111.5K350 E351 L352 A356 N357 A358 L409 A412 L414K350-F354 WeakPolarHBondContact O-CB 3.44Å; K350-F354 PolarHBondContact O-N 2.89Å; E351-F354 PolarHBondContact O-N 3.2Å; L352-F354 VanDerWaalsContact C-N 3.33Å; L352-F354 PolarHBondContact O-N 3.48Å; F354-A356 PolarHBondContact O-N 3.31Å; F354-N357 PolarHBondContact O-N 3.19Å; F354-A358 HydrophobicContact CE1-CB 4.16Å; F354-A358 HydrophobicContact CZ-CB 4.41Å; F354-A358 VanDerWaalsContact O-CB 3.28Å; F354-A358 WeakPolarHBondContact O-CB 3.44Å; F354-A358 PolarHBondContact O-N 2.89Å; F354-L409 HydrophobicContact CD1-CD2 4.47Å; F354-L409 HydrophobicContact CE1-CD2 3.99Å; F354-A412 HydrophobicContact CE1-CB 3.53Å; F354-A412 HydrophobicContact CE2-CB 4.35Å; F354-A412 HydrophobicContact CZ-CB 3.31Å; F354-L414 HydrophobicContact CD1-CD1 3.75Å; F354-L414 HydrophobicContact CE1-CD1 4.24Å; F354-L414 HydrophobicContact CG-CD1 4.45Å
355F98.4Very high98.1Very high0 Ų056.2 Ų56.20%028%0.275CS..Hα-helixtrans-57.8-47.8178.4167.4-93.8000112.3I5 L30 Y34 V35 L340 E351 L352 N357 A358 L359 L405 L409I5-F355 HydrophobicContact CD1-CB 3.56Å; I5-F355 HydrophobicContact CD1-CD2 4.28Å; I5-F355 HydrophobicContact CD1-CG 4.01Å; L30-F355 VanDerWaalsContact O-CZ 3.24Å; L30-F355 WeakPolarHBondContact O-CZ 3.48Å; Y34-F355 AromaticContact CD2-CE2 3.86Å; Y34-F355 HydrophobicContact CD2-CE2 3.86Å; Y34-F355 HydrophobicContact CG-CE2 4.01Å; V35-F355 HydrophobicContact CG2-CD1 3.59Å; V35-F355 HydrophobicContact CG2-CD2 4.22Å; V35-F355 HydrophobicContact CG2-CE1 3.52Å; V35-F355 HydrophobicContact CG2-CE2 4.16Å; V35-F355 HydrophobicContact CG2-CG 3.96Å; V35-F355 HydrophobicContact CG2-CZ 3.83Å; L340-F355 HydrophobicContact CD1-CD1 4.29Å; L340-F355 HydrophobicContact CD1-CE1 3.83Å; E351-F355 WeakPolarHBondContact O-CB 3.36Å; E351-F355 PolarHBondContact O-N 2.81Å; L352-F355 HydrophobicContact CD1-CD1 4.34Å; L352-F355 PolarHBondContact O-N 3.42Å; F355-N357 PolarHBondContact O-N 2.94Å; F355-A358 PolarHBondContact O-N 3.33Å; F355-L359 HydrophobicContact CE1-CD2 4.45Å; F355-L359 HydrophobicContact CZ-CD2 4.16Å; F355-L359 PolarHBondContact O-N 3.15Å; F355-L405 HydrophobicContact CE2-CD2 4.32Å; F355-L409 HydrophobicContact CD2-CD1 4Å; F355-L409 HydrophobicContact CD2-CD2 4.35Å; F355-L409 HydrophobicContact CE2-CD1 4.19Å
356A98.4Very high98.2Very high0 Ų048.8 Ų48.80%024%0.243CC..Hα-helixtrans-60-45.8179.300000111.6T337 L340 A341 L352 F354 L359 E360T337-A356 WeakPolarHBondContact CG2-O 3.49Å; L340-A356 HydrophobicContact CB-CB 4.24Å; A341-A356 HydrophobicContact CB-CB 4.03Å; L352-A356 WeakPolarHBondContact O-CB 3.38Å; L352-A356 PolarHBondContact O-N 2.98Å; F354-A356 PolarHBondContact O-N 3.31Å; A356-L359 PolarHBondContact O-N 3.44Å; A356-E360 PolarHBondContact O-N 3.34Å
357N98.3Very high98.2Very high74 Ų7445.8 Ų45.840%0.39623%0.227SC..Hα-helixtrans-64.7-43.9176.7-69.8-20.4000111.9A353 F354 F355 L359 E360 E361A353-N357 VanDerWaalsContact O-CG 3.3Å; A353-N357 PolarHBondContact O-N 3.12Å; A353-N357 VanDerWaalsContact O-N 3.12Å; A353-N357 PolarHBondContact O-ND2 2.95Å; F354-N357 PolarHBondContact O-N 3.19Å; F355-N357 PolarHBondContact O-N 2.94Å; N357-L359 VanDerWaalsContact C-N 3.28Å; N357-L359 PolarHBondContact O-N 3.15Å; N357-E360 PolarHBondContact O-N 2.68Å; N357-E361 WeakPolarHBondContact O-CG 3.35Å; N357-E361 PolarHBondContact O-N 3.24Å
358A98.3Very high98.1Very high1 Ų144.9 Ų44.91%0.00822%0.221CC..Hα-helixtrans-61.2-37.3179.400000111.8F354 F355 E361 V362 K408 L409F354-A358 HydrophobicContact CE1-CB 4.16Å; F354-A358 HydrophobicContact CZ-CB 4.41Å; F354-A358 VanDerWaalsContact O-CB 3.28Å; F354-A358 WeakPolarHBondContact O-CB 3.44Å; F354-A358 PolarHBondContact O-N 2.89Å; F355-A358 PolarHBondContact O-N 3.33Å; A358-E361 PolarHBondContact O-N 3.19Å; A358-V362 WeakPolarHBondContact O-CB 3.44Å; A358-V362 WeakPolarHBondContact O-CG2 3.42Å; A358-V362 PolarHBondContact O-N 3.19Å; A358-K408 HydrophobicContact CB-CD 4.31Å; A358-L409 HydrophobicContact CB-CD2 4.14Å
359L98.7Very high98.1Very high0 Ų041.8 Ų41.80%021%0.213CC..Hα-helixtrans-68.7-39.8176.1-179.550.6000112.6L30 I333 T337 F355 A356 N357 S363 L405L30-L359 HydrophobicContact CB-CD1 4.4Å; L30-L359 HydrophobicContact CB-CD2 4.23Å; L30-L359 HydrophobicContact CD1-CD1 4.27Å; I333-L359 HydrophobicContact CG2-CD1 4.13Å; I333-L359 HydrophobicContact CG2-CD2 4.04Å; I333-L359 HydrophobicContact CG2-CG 3.77Å; T337-L359 HydrophobicContact CG2-CB 3.82Å; T337-L359 HydrophobicContact CG2-CD2 3.69Å; T337-L359 HydrophobicContact CG2-CG 3.72Å; F355-L359 HydrophobicContact CE1-CD2 4.45Å; F355-L359 HydrophobicContact CZ-CD2 4.16Å; F355-L359 PolarHBondContact O-N 3.15Å; A356-L359 PolarHBondContact O-N 3.44Å; N357-L359 VanDerWaalsContact C-N 3.28Å; N357-L359 PolarHBondContact O-N 3.15Å; L359-S363 WeakPolarHBondContact O-CB 3.23Å; L359-S363 PolarHBondContact O-N 3.48Å; L359-S363 PolarHBondContact O-OG 3.19Å; L359-L405 HydrophobicContact CB-CD1 4.23Å; L359-L405 HydrophobicContact CD1-CD1 4.2Å; L359-L405 HydrophobicContact CD1-CD2 3.95Å
360E98.5Very high98.1Very high17 Ų1742.2 Ų42.28%0.07923%0.225CC..Hα-helixtrans-62.9-45.3172.4-69.9-171.8-170.800111.4F334 T337 R338 A356 N357 S363 I364F334-E360 HydrophobicContact CD1-CG 3.8Å; F334-E360 HydrophobicContact CD2-CG 4.29Å; F334-E360 HydrophobicContact CE1-CB 3.81Å; F334-E360 VanDerWaalsContact CE1-CD 3.45Å; F334-E360 HydrophobicContact CE1-CG 3.52Å; F334-E360 WeakPolarHBondContact CE1-OE2 3.18Å; F334-E360 HydrophobicContact CE2-CB 4.15Å; F334-E360 HydrophobicContact CE2-CG 4.03Å; F334-E360 HydrophobicContact CG-CG 4.22Å; F334-E360 HydrophobicContact CZ-CB 3.57Å; F334-E360 HydrophobicContact CZ-CG 3.65Å; T337-E360 WeakPolarHBondContact CB-OE1 3.36Å; T337-E360 HydrophobicContact CG2-CG 3.96Å; T337-E360 WeakPolarHBondContact OG1-CG 3.34Å; T337-E360 PolarHBondContact OG1-OE1 3.25Å; R338-E360 IonicContact CZ-OE1 2.87Å; R338-E360 IonicContact CZ-OE2 2.95Å; R338-E360 IonicContact NE-OE1 3.82Å; R338-E360 IonicContact NH1-OE1 2.63Å; R338-E360 PolarHBondContact NH1-OE1 3.22Å; R338-E360 IonicContact NH1-OE2 3.8Å; R338-E360 PolarHBondContact NH1-OE2 2.93Å; R338-E360 IonicContact NH2-OE1 3.6Å; R338-E360 IonicContact NH2-OE2 2.6Å; R338-E360 PolarHBondContact NH2-OE2 2.98Å; A356-E360 PolarHBondContact O-N 3.34Å; N357-E360 PolarHBondContact O-N 2.68Å; E360-S363 WeakPolarHBondContact O-CB 3.46Å; E360-S363 PolarHBondContact O-N 3.31Å; E360-I364 PolarHBondContact O-N 2.87Å; E360-I364 VanDerWaalsContact O-N 3.12Å
361E98.2Very high98.1Very high95 Ų9538.1 Ų38.144%0.44421%0.208SC..Hα-helixtrans-61.7-47.4177.7-72.6176.7-172.700111.8N357 A358 S363 I364 E365 K408N357-E361 WeakPolarHBondContact O-CG 3.35Å; N357-E361 PolarHBondContact O-N 3.24Å; A358-E361 PolarHBondContact O-N 3.19Å; E361-S363 PolarHBondContact O-N 3.24Å; E361-I364 PolarHBondContact O-N 2.53Å; E361-E365 WeakPolarHBondContact O-CB 3.47Å; E361-E365 VanDerWaalsContact O-CG 3.24Å; E361-E365 WeakPolarHBondContact O-CG 3.34Å; E361-E365 PolarHBondContact O-N 2.52Å; E361-K408 WeakPolarHBondContact OE2-CE 3.45Å; E361-K408 IonicContact OE2-NZ 2.87Å; E361-K408 PolarHBondContact OE2-NZ 2.93Å
362V98.4Very high98.1Very high2 Ų233.2 Ų33.21%0.01219%0.185CC..Hα-helixtrans-57.9-40176.8165.40000111A358 T366 L401 N404 L405 K408A358-V362 WeakPolarHBondContact O-CB 3.44Å; A358-V362 WeakPolarHBondContact O-CG2 3.42Å; A358-V362 PolarHBondContact O-N 3.19Å; V362-T366 WeakPolarHBondContact O-CB 3.35Å; V362-T366 PolarHBondContact O-N 3.31Å; V362-T366 PolarHBondContact O-OG1 2.75Å; V362-L401 HydrophobicContact CG1-CD2 4.33Å; V362-N404 HydrophobicContact CG1-CB 3.73Å; V362-L405 HydrophobicContact CG1-CB 4.25Å; V362-L405 HydrophobicContact CG2-CB 4.49Å; V362-L405 HydrophobicContact CG2-CD1 4.2Å; V362-K408 HydrophobicContact CG2-CB 3.92Å; V362-K408 HydrophobicContact CG2-CD 3.37Å; V362-K408 HydrophobicContact CG2-CG 4.29Å
363S98.2Very high98.1Very high0 Ų033.2 Ų33.20%019%0.185CC..Hα-helixtrans-60.9-46.7178.8-62.50000111.3L359 E360 E361 I367L359-S363 WeakPolarHBondContact O-CB 3.23Å; L359-S363 PolarHBondContact O-N 3.48Å; L359-S363 PolarHBondContact O-OG 3.19Å; E360-S363 WeakPolarHBondContact O-CB 3.46Å; E360-S363 PolarHBondContact O-N 3.31Å; E361-S363 PolarHBondContact O-N 3.24Å; S363-I367 WeakPolarHBondContact O-CD1 3.29Å; S363-I367 WeakPolarHBondContact O-CG1 3.42Å; S363-I367 PolarHBondContact O-N 3.07Å
364I98.1Very high97.9Very high43 Ų4335.5 Ų35.522%0.22119%0.189CC..Hα-helixtrans-67.8-49.7177.1-65.1168.5000110.9I112 F334 E360 E361 T366 I367 E368I112-I364 HydrophobicContact CG2-CD1 4.16Å; I112-I364 HydrophobicContact CG2-CG1 4.01Å; F334-I364 HydrophobicContact CZ-CD1 4.29Å; F334-I364 HydrophobicContact CZ-CG1 4.36Å; E360-I364 PolarHBondContact O-N 2.87Å; E360-I364 VanDerWaalsContact O-N 3.12Å; E361-I364 PolarHBondContact O-N 2.53Å; I364-T366 VanDerWaalsContact C-N 3.29Å; I364-T366 PolarHBondContact O-N 3.27Å; I364-I367 PolarHBondContact O-N 3.01Å; I364-E368 HydrophobicContact CG2-CG 4.19Å; I364-E368 WeakPolarHBondContact O-CB 3.49Å; I364-E368 WeakPolarHBondContact O-CG 3.43Å; I364-E368 PolarHBondContact O-N 3.03Å
365E98.4Very high97.7Very high94 Ų9433.8 Ų33.844%0.43918%0.184SC..Hα-helixtrans-59.9-37.6-178.8-72.8167.8170.900112E361 E368 A369 K408E361-E365 WeakPolarHBondContact O-CB 3.47Å; E361-E365 VanDerWaalsContact O-CG 3.24Å; E361-E365 WeakPolarHBondContact O-CG 3.34Å; E361-E365 PolarHBondContact O-N 2.52Å; E365-E368 PolarHBondContact O-N 3.11Å; E365-A369 VanDerWaalsContact O-CB 3.25Å; E365-A369 WeakPolarHBondContact O-CB 3.43Å; E365-A369 PolarHBondContact O-N 2.74Å; E365-K408 IonicContact OE1-NZ 2.75Å; E365-K408 PolarHBondContact OE1-NZ 2.82Å; E365-K408 IonicContact OE2-NZ 2.92Å; E365-K408 PolarHBondContact OE2-NZ 2.85Å
366T98.6Very high97.5Very high1 Ų133.8 Ų33.81%0.00618%0.184CC..Hα-helixtrans-65.3-44177.5-59.50000111.2V362 I364 A369 F371 F397 K400 L401 N404V362-T366 WeakPolarHBondContact O-CB 3.35Å; V362-T366 PolarHBondContact O-N 3.31Å; V362-T366 PolarHBondContact O-OG1 2.75Å; I364-T366 VanDerWaalsContact C-N 3.29Å; I364-T366 PolarHBondContact O-N 3.27Å; T366-A369 PolarHBondContact O-N 2.75Å; T366-F371 CarbonylContact C-O 3.59Å; T366-F371 HydrophobicContact CG2-CB 3.76Å; T366-F371 PolarHBondContact O-N 2.93Å; T366-F371 VanDerWaalsContact O-N 3.13Å; T366-F371 VanDerWaalsContact O-O 3.12Å; T366-F397 HydrophobicContact CG2-CE2 3.91Å; T366-K400 HydrophobicContact CG2-CG 3.93Å; T366-L401 HydrophobicContact CG2-CD2 3.99Å; T366-N404 PolarHBondContact OG1-ND2 3Å
367I97.8Very high97.4Very high0 Ų033.9 Ų33.90%018%0.184CC..Hα-helixtrans-64.1-47.3174.4-65.9165000110.1C114 N116 I117 M290 I330 S363 I364 A369 G370 F371 M372 L376 F397C114-I367 HydrophobicContact CB-CG2 3.99Å; N116-I367 PolarHBondContact ND2-O 3.4Å; I117-I367 HydrophobicContact CD1-CG2 4.04Å; I117-I367 HydrophobicContact CG1-CG2 4.08Å; M290-I367 HydrophobicContact CE-CD1 3.7Å; M290-I367 HydrophobicContact SD-CD1 4.12Å; I330-I367 HydrophobicContact CD1-CD1 3.77Å; I330-I367 HydrophobicContact CG1-CD1 3.93Å; S363-I367 WeakPolarHBondContact O-CD1 3.29Å; S363-I367 WeakPolarHBondContact O-CG1 3.42Å; S363-I367 PolarHBondContact O-N 3.07Å; I364-I367 PolarHBondContact O-N 3.01Å; I367-A369 PolarHBondContact O-N 2.94Å; I367-G370 PolarHBondContact O-N 3.07Å; I367-F371 WeakPolarHBondContact CA-O 3.41Å; I367-M372 HydrophobicContact CG2-CB 4.34Å; I367-L376 HydrophobicContact CD1-CD1 3.73Å; I367-L376 HydrophobicContact CG1-CD1 4.01Å; I367-L376 HydrophobicContact CG2-CD1 4.06Å; I367-F397 HydrophobicContact CD1-CZ 4.33Å; I367-F397 HydrophobicContact CG1-CE2 4.32Å; I367-F397 HydrophobicContact CG1-CZ 3.88Å
368E97.6Very high97.1Very high56 Ų5631.3 Ų31.326%0.26217%0.173SC..Hα-helixtrans-62.3-28.7179.3-72.1-170.4171.500112.7C114 K115 I364 E365 G370C114-E368 HydrophobicContact CB-CG 4.27Å; K115-E368 WeakPolarHBondContact CB-OE1 3.37Å; K115-E368 WeakPolarHBondContact CD-OE1 3.49Å; K115-E368 WeakPolarHBondContact CG-OE1 3.31Å; K115-E368 PolarHBondContact N-OE1 3.08Å; K115-E368 IonicContact NZ-OE2 2.85Å; K115-E368 PolarHBondContact NZ-OE2 2.88Å; I364-E368 HydrophobicContact CG2-CG 4.19Å; I364-E368 WeakPolarHBondContact O-CB 3.49Å; I364-E368 WeakPolarHBondContact O-CG 3.43Å; I364-E368 PolarHBondContact O-N 3.03Å; E365-E368 PolarHBondContact O-N 3.11Å; E368-G370 PolarHBondContact O-N 3.43Å
369A98Very high96.9Very high68 Ų6833.1 Ų33.156%0.56219%0.185SC*.THydrogen-bonded Turntrans-76.3-0.8172.700000114.2E365 T366 I367 F371E365-A369 VanDerWaalsContact O-CB 3.25Å; E365-A369 WeakPolarHBondContact O-CB 3.43Å; E365-A369 PolarHBondContact O-N 2.74Å; T366-A369 PolarHBondContact O-N 2.75Å; I367-A369 PolarHBondContact O-N 2.94Å; A369-F371 HydrophobicContact CB-CD2 4.04Å; A369-F371 HydrophobicContact CB-CE2 4.27Å
370G97.1Very high96.7Very high41 Ų4136.6 Ų36.642%0.42320%0.203SC..THydrogen-bonded Turntrans95.7-0.8176.400000115I367 E368I367-G370 PolarHBondContact O-N 3.07Å; E368-G370 PolarHBondContact O-N 3.43Å
371F98.2Very high96.5Very high82 Ų8240.2 Ų40.236%0.3622%0.219SC..  trans-91108.2175.3-57.6-77.8000109.1T366 I367 A369 L392 F397 K400T366-F371 CarbonylContact C-O 3.59Å; T366-F371 HydrophobicContact CG2-CB 3.76Å; T366-F371 PolarHBondContact O-N 2.93Å; T366-F371 VanDerWaalsContact O-N 3.13Å; T366-F371 VanDerWaalsContact O-O 3.12Å; I367-F371 WeakPolarHBondContact CA-O 3.41Å; A369-F371 HydrophobicContact CB-CD2 4.04Å; A369-F371 HydrophobicContact CB-CE2 4.27Å; F371-L392 HydrophobicContact CB-CD1 3.96Å; F371-L392 HydrophobicContact CD1-CD1 4.07Å; F371-L392 HydrophobicContact CG-CD1 4.46Å; F371-F397 WeakPolarHBondContact O-CE2 3.49Å; F371-K400 HydrophobicContact CB-CG 4.12Å; F371-K400 HydrophobicContact CD1-CG 4.3Å; F371-K400 HydrophobicContact CD2-CG 4.39Å; F371-K400 HydrophobicContact CG-CG 4.02Å
372M97.4Very high96.2Very high9 Ų937.2 Ų37.24%0.04421%0.213CC..  trans-150.9165.6-173.367.5-170.875.300112.2I117 I367 L376 A377 I380 Y391 L392I117-M372 HydrophobicContact CD1-SD 4.13Å; I367-M372 HydrophobicContact CG2-CB 4.34Å; M372-L376 HydrophobicContact CB-CB 3.94Å; M372-L376 HydrophobicContact CB-CD1 4.03Å; M372-L376 HydrophobicContact CG-CB 4.04Å; M372-L376 HydrophobicContact SD-CB 3.84Å; M372-A377 HydrophobicContact CG-CB 4.37Å; M372-A377 HydrophobicContact SD-CB 4.4Å; M372-I380 HydrophobicContact CE-CD1 3.69Å; M372-I380 HydrophobicContact SD-CD1 3.5Å; M372-I380 VanDerWaalsContact SD-CD1 3.5Å; M372-Y391 CarbonylContact O-C 3.58Å; M372-Y391 WeakPolarHBondContact O-CA 3.49Å; M372-Y391 WeakPolarHBondContact O-CB 3.21Å; M372-L392 PolarHBondContact O-N 3.16Å
373T96.4Very high95.9Very high0 Ų042.8 Ų42.80%024%0.242CC..  trans-79.5167.2174.447.20000112.4S326 N328 D375 L376 A377 F397S326-T373 WeakPolarHBondContact OG-CB 3.4Å; N328-T373 WeakPolarHBondContact CB-OG1 3.02Å; T373-D375 VanDerWaalsContact C-N 3.28Å; T373-D375 VanDerWaalsContact CB-OD1 3.23Å; T373-D375 WeakPolarHBondContact CB-OD1 3.38Å; T373-D375 PolarHBondContact O-N 2.9Å; T373-D375 PolarHBondContact OG1-OD1 2.98Å; T373-L376 PolarHBondContact O-N 2.67Å; T373-L376 VanDerWaalsContact O-N 3.16Å; T373-A377 PolarHBondContact O-N 3.46Å; T373-F397 HydrophobicContact CG2-CB 4.11Å; T373-F397 HydrophobicContact CG2-CD1 3.65Å; T373-F397 HydrophobicContact CG2-CE1 4.27Å; T373-F397 HydrophobicContact CG2-CG 3.96Å
374K95.1Very high95.7Very high80 Ų8048.7 Ų48.735%0.34828%0.281SS..Hα-helixtrans-60.8-34.4-173.1-171.1177.6-175.9169.80113.3S326 A378 V386 Y391S326-K374 WeakPolarHBondContact OG-CB 3.32Å; S326-K374 PolarHBondContact OG-N 3.17Å; K374-A378 VanDerWaalsContact O-CB 3.31Å; K374-A378 WeakPolarHBondContact O-CB 3.1Å; K374-A378 PolarHBondContact O-N 3.38Å; K374-V386 HydrophobicContact CG-CG1 4.08Å; K374-Y391 HydrophobicContact CB-CD1 4.04Å; K374-Y391 HydrophobicContact CB-CD2 3.71Å; K374-Y391 HydrophobicContact CB-CE1 4.24Å; K374-Y391 HydrophobicContact CB-CE2 3.93Å; K374-Y391 HydrophobicContact CB-CG 3.76Å; K374-Y391 HydrophobicContact CD-CD1 4.5Å; K374-Y391 HydrophobicContact CD-CE1 3.92Å; K374-Y391 HydrophobicContact CD-CE2 4.18Å; K374-Y391 HydrophobicContact CG-CD1 3.91Å; K374-Y391 HydrophobicContact CG-CD2 4.35Å; K374-Y391 HydrophobicContact CG-CE1 3.83Å; K374-Y391 HydrophobicContact CG-CE2 4.28Å; K374-Y391 HydrophobicContact CG-CG 4.17Å
375D92.8Very high95.6Very high47 Ų4751.9 Ų51.925%0.25130%0.298SS..Hα-helixtrans-62.3-45.5176.363.8-53.5000111.2S287 N328 T373 A378 C379S287-D375 PolarHBondContact OG-OD2 3.19Å; N328-D375 PolarHBondContact ND2-OD2 2.94Å; T373-D375 VanDerWaalsContact C-N 3.28Å; T373-D375 VanDerWaalsContact CB-OD1 3.23Å; T373-D375 WeakPolarHBondContact CB-OD1 3.38Å; T373-D375 PolarHBondContact O-N 2.9Å; T373-D375 PolarHBondContact OG1-OD1 2.98Å; D375-A378 WeakPolarHBondContact O-CB 3.13Å; D375-A378 PolarHBondContact O-N 2.95Å; D375-C379 PolarHBondContact O-N 3.08Å; D375-C379 PolarHBondContact O-SG 3.41Å
376L95Very high95.6Very high0 Ų048.4 Ų48.40%028%0.283CS..Hα-helixtrans-68.6-41.3178.5-62.5-178.7000111.8I117 M290 I367 M372 T373 A378 C379 I380I117-L376 HydrophobicContact CD1-CB 3.87Å; I117-L376 HydrophobicContact CD1-CD2 4.24Å; I117-L376 HydrophobicContact CD1-CG 4.46Å; I117-L376 HydrophobicContact CG1-CD2 4.46Å; M290-L376 HydrophobicContact CG-CD2 3.7Å; M290-L376 HydrophobicContact SD-CD1 4.14Å; M290-L376 HydrophobicContact SD-CD2 4.09Å; I367-L376 HydrophobicContact CD1-CD1 3.73Å; I367-L376 HydrophobicContact CG1-CD1 4.01Å; I367-L376 HydrophobicContact CG2-CD1 4.06Å; M372-L376 HydrophobicContact CB-CB 3.94Å; M372-L376 HydrophobicContact CB-CD1 4.03Å; M372-L376 HydrophobicContact CG-CB 4.04Å; M372-L376 HydrophobicContact SD-CB 3.84Å; T373-L376 PolarHBondContact O-N 2.67Å; T373-L376 VanDerWaalsContact O-N 3.16Å; L376-A378 PolarHBondContact O-N 3.08Å; L376-C379 WeakPolarHBondContact O-CB 3.24Å; L376-C379 PolarHBondContact O-N 2.89Å; L376-C379 VanDerWaalsContact O-N 3.1Å; L376-I380 PolarHBondContact O-N 3.38Å
377A95.5Very high95.5Very high2 Ų254.5 Ų54.52%0.01731%0.311CS..Hα-helixtrans-59.9-35.6171.900000111.7M372 T373 I380 K381 V386 D390M372-A377 HydrophobicContact CG-CB 4.37Å; M372-A377 HydrophobicContact SD-CB 4.4Å; T373-A377 PolarHBondContact O-N 3.46Å; A377-I380 PolarHBondContact O-N 2.83Å; A377-K381 PolarHBondContact O-N 2.93Å; A377-V386 HydrophobicContact CB-CG1 4.11Å; A377-V386 HydrophobicContact CB-CG2 4.4Å; A377-D390 HydrophobicContact CB-CB 4.32Å
378A93.7Very high95.4Very high19 Ų1958.6 Ų58.616%0.15733%0.327CS..Hα-helixtrans-69.6-31.3175.200000113K374 D375 L376 I380 G382 L383 V386K374-A378 VanDerWaalsContact O-CB 3.31Å; K374-A378 WeakPolarHBondContact O-CB 3.1Å; K374-A378 PolarHBondContact O-N 3.38Å; D375-A378 WeakPolarHBondContact O-CB 3.13Å; D375-A378 PolarHBondContact O-N 2.95Å; L376-A378 PolarHBondContact O-N 3.08Å; A378-I380 PolarHBondContact O-N 2.78Å; A378-G382 WeakPolarHBondContact O-CA 3.4Å; A378-G382 PolarHBondContact O-N 3.41Å; A378-L383 HydrophobicContact CB-CB 4.38Å; A378-L383 HydrophobicContact CB-CD1 4.09Å; A378-V386 VanDerWaalsContact CA-CG2 3.49Å; A378-V386 HydrophobicContact CB-CG2 3.92Å
379C92.8Very high95.3Very high40 Ų4060.7 Ų60.727%0.2735%0.348SS..Hα-helixtrans-61.4-35.5170-57.90000111.6I117 G286 D375 L376I117-C379 HydrophobicContact CG2-CB 4.06Å; G286-C379 PolarHBondContact O-SG 3.39Å; D375-C379 PolarHBondContact O-N 3.08Å; D375-C379 PolarHBondContact O-SG 3.41Å; L376-C379 WeakPolarHBondContact O-CB 3.24Å; L376-C379 PolarHBondContact O-N 2.89Å; L376-C379 VanDerWaalsContact O-N 3.1Å
380I94.2Very high95.3Very high73 Ų7359 Ų5937%0.37433%0.329SS..Hα-helixtrans-79-49.8-178.6-61.2172000111.7I117 P118 M372 L376 A377 A378I117-I380 HydrophobicContact CD1-CD1 4.1Å; I117-I380 HydrophobicContact CD1-CG1 4.28Å; P118-I380 HydrophobicContact CG-CG1 4.48Å; M372-I380 HydrophobicContact CE-CD1 3.69Å; M372-I380 HydrophobicContact SD-CD1 3.5Å; M372-I380 VanDerWaalsContact SD-CD1 3.5Å; L376-I380 PolarHBondContact O-N 3.38Å; A377-I380 PolarHBondContact O-N 2.83Å; A378-I380 PolarHBondContact O-N 2.78Å
381K94.7Very high95.3Very high93 Ų9358.3 Ų58.340%0.40431%0.314SS..Hα-helixtrans-103.2-12.9-168.5-60.7-168.6179.6-168.70114.3A377 N385 V386 D390A377-K381 PolarHBondContact O-N 2.93Å; K381-N385 HydrophobicContact CB-CB 4.17Å; K381-N385 WeakPolarHBondContact O-CB 3.36Å; K381-N385 PolarHBondContact O-ND2 3.09Å; K381-V386 HydrophobicContact CB-CG2 4.32Å; K381-D390 WeakPolarHBondContact CD-OD2 3.31Å; K381-D390 IonicContact NZ-OD1 3.91Å; K381-D390 PolarHBondContact NZ-OD1 3.17Å; K381-D390 IonicContact NZ-OD2 2.93Å; K381-D390 PolarHBondContact NZ-OD2 2.9Å
382G92.7Very high95.3Very high31 Ų3156.2 Ų56.232%0.3231%0.306SS..  trans74.8139-163.500000111.3A378 P384 N385A378-G382 WeakPolarHBondContact O-CA 3.4Å; A378-G382 PolarHBondContact O-N 3.41Å; G382-P384 VanDerWaalsContact C-N 3.33Å; G382-P384 VanDerWaalsContact O-N 3.13Å; G382-N385 PolarHBondContact O-N 3.14Å
383L90.6Very high95.3Very high119 Ų11956.8 Ų56.862%0.62331%0.31SS*.G310 helixtrans-50.1-39.6-173.4-171.766000115.2A378 N385 V386A378-L383 HydrophobicContact CB-CB 4.38Å; A378-L383 HydrophobicContact CB-CD1 4.09Å; L383-N385 VanDerWaalsContact C-N 3.25Å; L383-N385 PolarHBondContact O-N 2.7Å; L383-V386 PolarHBondContact O-N 3.03Å
384P94.9Very high95.3Very high125 Ų12556.8 Ų56.881%0.81231%0.31SS*.G310 helixtrans-65.3-23.7179.1-23.235.7000114.8G382G382-P384 VanDerWaalsContact C-N 3.33Å; G382-P384 VanDerWaalsContact O-N 3.13Å
385N96.9Very high95.4Very high110 Ų11056.2 Ų56.259%0.58831%0.307SS*.G310 helixtrans-99.7-3.3-174.7-58-43.2000113K381 G382 L383 Q387K381-N385 HydrophobicContact CB-CB 4.17Å; K381-N385 WeakPolarHBondContact O-CB 3.36Å; K381-N385 PolarHBondContact O-ND2 3.09Å; G382-N385 PolarHBondContact O-N 3.14Å; L383-N385 VanDerWaalsContact C-N 3.25Å; L383-N385 PolarHBondContact O-N 2.7Å; N385-Q387 PolarHBondContact O-N 3.1Å
386V96.6Very high95.7Very high20 Ų2057.5 Ų57.512%0.12131%0.312CS..  trans-74.9119.7-179.8178.10000110.2K374 A377 A378 K381 L383 D390 Y391K374-V386 HydrophobicContact CG-CG1 4.08Å; A377-V386 HydrophobicContact CB-CG1 4.11Å; A377-V386 HydrophobicContact CB-CG2 4.4Å; A378-V386 VanDerWaalsContact CA-CG2 3.49Å; A378-V386 HydrophobicContact CB-CG2 3.92Å; K381-V386 HydrophobicContact CB-CG2 4.32Å; L383-V386 PolarHBondContact O-N 3.03Å; V386-D390 HydrophobicContact CG1-CB 4.35Å; V386-Y391 HydrophobicContact CG1-CD1 3.66Å; V386-Y391 HydrophobicContact CG1-CE1 3.92Å
387Q96.5Very high95.8Very high129 Ų12957.5 Ų57.560%0.60331%0.312SS*.  trans-99.1161.5173.7-61.1-176.3-16.500111N385 S389 D390 Y391N385-Q387 PolarHBondContact O-N 3.1Å; Q387-S389 PolarHBondContact O-N 3.39Å; Q387-D390 PolarHBondContact N-OD2 3.05Å; Q387-D390 VanDerWaalsContact O-CB 3.31Å; Q387-D390 WeakPolarHBondContact O-CB 3.47Å; Q387-D390 PolarHBondContact O-N 2.77Å; Q387-Y391 VanDerWaalsContact O-CD1 3.26Å; Q387-Y391 WeakPolarHBondContact O-CD1 3.46Å; Q387-Y391 WeakPolarHBondContact O-CE1 3.48Å
388R95.9Very high96Very high87 Ų8757.4 Ų57.433%0.32831%0.311SS..G310 helixtrans-59.7-30.8-179.7-179.157.3-173.383.52113E324 D390 Y391 N393 E396E324-R388 IonicContact OE1-CZ 2.64Å; E324-R388 IonicContact OE1-NE 3.34Å; E324-R388 PolarHBondContact OE1-NE 2.73Å; E324-R388 IonicContact OE1-NH2 3.12Å; E324-R388 PolarHBondContact OE1-NH2 2.88Å; E324-R388 WeakPolarHBondContact OE2-CD 3.18Å; E324-R388 IonicContact OE2-CZ 3.99Å; E324-R388 IonicContact OE2-NE 3.79Å; E324-R388 PolarHBondContact OE2-NE 3.46Å; R388-D390 PolarHBondContact O-N 3.04Å; R388-Y391 VanDerWaalsContact CD-CZ 3.48Å; R388-Y391 WeakPolarHBondContact CD-OH 3.29Å; R388-Y391 PolarHBondContact NH1-O 3.09Å; R388-Y391 VanDerWaalsContact O-O 3.13Å; R388-N393 PolarHBondContact NH2-ND2 3.32Å; R388-E396 IonicContact CZ-OE2 2.87Å; R388-E396 IonicContact NH1-OE2 3.89Å; R388-E396 IonicContact NH2-OE1 3.92Å; R388-E396 PolarHBondContact NH2-OE1 2.75Å; R388-E396 IonicContact NH2-OE2 3.82Å; R388-E396 PolarHBondContact NH2-OE2 2.83Å
389S96.6Very high96.2Very high100 Ų10060.3 Ų60.370%0.69932%0.324SS*.G310 helixtrans-69.8-12.9175.851.50000114.5Q387Q387-S389 PolarHBondContact O-N 3.39Å
390D96.8Very high96.5Very high33 Ų3360 Ų6018%0.17632%0.318CS..G310 helixtrans-88.3-8.8-175.3-61.5-31000113.5A377 K381 V386 Q387 R388A377-D390 HydrophobicContact CB-CB 4.32Å; K381-D390 WeakPolarHBondContact CD-OD2 3.31Å; K381-D390 IonicContact NZ-OD1 3.91Å; K381-D390 PolarHBondContact NZ-OD1 3.17Å; K381-D390 IonicContact NZ-OD2 2.93Å; K381-D390 PolarHBondContact NZ-OD2 2.9Å; V386-D390 HydrophobicContact CG1-CB 4.35Å; Q387-D390 PolarHBondContact N-OD2 3.05Å; Q387-D390 VanDerWaalsContact O-CB 3.31Å; Q387-D390 WeakPolarHBondContact O-CB 3.47Å; Q387-D390 PolarHBondContact O-N 2.77Å; R388-D390 PolarHBondContact O-N 3.04Å
391Y97.4Very high96.7Very high26 Ų2656.5 Ų56.510%0.10230%0.3CS..SBendtrans-144.7161.5-176.566.3-88.7000111.5M372 K374 V386 Q387 R388M372-Y391 CarbonylContact O-C 3.58Å; M372-Y391 WeakPolarHBondContact O-CA 3.49Å; M372-Y391 WeakPolarHBondContact O-CB 3.21Å; K374-Y391 HydrophobicContact CB-CD1 4.04Å; K374-Y391 HydrophobicContact CB-CD2 3.71Å; K374-Y391 HydrophobicContact CB-CE1 4.24Å; K374-Y391 HydrophobicContact CB-CE2 3.93Å; K374-Y391 HydrophobicContact CB-CG 3.76Å; K374-Y391 HydrophobicContact CD-CD1 4.5Å; K374-Y391 HydrophobicContact CD-CE1 3.92Å; K374-Y391 HydrophobicContact CD-CE2 4.18Å; K374-Y391 HydrophobicContact CG-CD1 3.91Å; K374-Y391 HydrophobicContact CG-CD2 4.35Å; K374-Y391 HydrophobicContact CG-CE1 3.83Å; K374-Y391 HydrophobicContact CG-CE2 4.28Å; K374-Y391 HydrophobicContact CG-CG 4.17Å; V386-Y391 HydrophobicContact CG1-CD1 3.66Å; V386-Y391 HydrophobicContact CG1-CE1 3.92Å; Q387-Y391 VanDerWaalsContact O-CD1 3.26Å; Q387-Y391 WeakPolarHBondContact O-CD1 3.46Å; Q387-Y391 WeakPolarHBondContact O-CE1 3.48Å; R388-Y391 VanDerWaalsContact CD-CZ 3.48Å; R388-Y391 WeakPolarHBondContact CD-OH 3.29Å; R388-Y391 PolarHBondContact NH1-O 3.09Å; R388-Y391 VanDerWaalsContact O-O 3.13Å
392L98.2Very high96.8Very high37 Ų3752.8 Ų52.819%0.19429%0.288CS..  trans-97.9142.2166.9-62.3-176000109.4S326 F371 M372 E396 F397 K400S326-L392 PolarHBondContact OG-O 3.32Å; F371-L392 HydrophobicContact CB-CD1 3.96Å; F371-L392 HydrophobicContact CD1-CD1 4.07Å; F371-L392 HydrophobicContact CG-CD1 4.46Å; M372-L392 PolarHBondContact O-N 3.16Å; L392-E396 WeakPolarHBondContact CA-OE2 3.42Å; L392-E396 HydrophobicContact CB-CB 3.9Å; L392-E396 HydrophobicContact CD2-CB 4.18Å; L392-E396 HydrophobicContact CG-CB 4.42Å; L392-F397 HydrophobicContact CB-CB 3.87Å; L392-F397 HydrophobicContact CD1-CB 4.44Å; L392-F397 HydrophobicContact CD1-CD2 4.25Å; L392-K400 HydrophobicContact CD1-CB 3.94Å; L392-K400 HydrophobicContact CD1-CG 4.29Å
393N97.5Very high97.1Very high22 Ų2256 Ų5612%0.11829%0.294CS..  trans-68.3170.3169.276.734000110.4E324 T325 R388 F395 E396 F397E324-N393 HydrophobicContact CG-CB 3.69Å; E324-N393 VanDerWaalsContact OE1-CB 3.3Å; E324-N393 WeakPolarHBondContact OE1-CB 3.36Å; E324-N393 PolarHBondContact OE1-ND2 3.16Å; T325-N393 CarbonylContact O-C 3.56Å; T325-N393 WeakPolarHBondContact O-CA 3.47Å; T325-N393 VanDerWaalsContact O-CB 3.25Å; T325-N393 WeakPolarHBondContact O-CB 3.5Å; R388-N393 PolarHBondContact NH2-ND2 3.32Å; N393-F395 PolarHBondContact O-N 3.14Å; N393-F395 VanDerWaalsContact O-N 3.14Å; N393-F395 PolarHBondContact OD1-N 3.3Å; N393-E396 VanDerWaalsContact CG-CD 3.45Å; N393-E396 PolarHBondContact N-OE2 3.33Å; N393-E396 VanDerWaalsContact ND2-CD 3.28Å; N393-E396 PolarHBondContact ND2-OE1 2.75Å; N393-E396 PolarHBondContact O-N 3.43Å; N393-E396 WeakPolarHBondContact OD1-CG 3.24Å; N393-E396 PolarHBondContact OD1-N 2.74Å; N393-F397 WeakPolarHBondContact O-CB 3.38Å; N393-F397 PolarHBondContact O-N 3.06Å
394T96.7Very high97.5Very high0 Ų052 Ų520%027%0.274CS..Hα-helixtrans-51.5-41.8-175-50.10000112.4M18 I22 T325 S326 T327 M398M18-T394 HydrophobicContact CE-CG2 3.9Å; I22-T394 HydrophobicContact CD1-CG2 3.66Å; I22-T394 HydrophobicContact CG1-CG2 3.61Å; T325-T394 PolarHBondContact O-N 3.18Å; T325-T394 PolarHBondContact O-OG1 3.1Å; T325-T394 PolarHBondContact OG1-OG1 2.8Å; S326-T394 WeakPolarHBondContact CA-OG1 3.32Å; S326-T394 PolarHBondContact N-OG1 3.13Å; T327-T394 PolarHBondContact N-OG1 3.08Å; T394-M398 WeakPolarHBondContact O-CB 3.45Å; T394-M398 PolarHBondContact O-N 3.4Å
395F97.8Very high97.6Very high67 Ų6746 Ų4629%0.29424%0.235SC..Hα-helixtrans-81-44.6-173.6-56.8-87.7000111.4M18 I21 L25 Y319 N393 F397 M398 D399M18-F395 HydrophobicContact CE-CZ 4.38Å; I21-F395 HydrophobicContact CG2-CE1 4.43Å; L25-F395 HydrophobicContact CD1-CD1 3.65Å; L25-F395 HydrophobicContact CD1-CE1 3.64Å; Y319-F395 HydrophobicContact CD2-CE2 4.35Å; Y319-F395 AromaticContact CD2-CZ 3.87Å; Y319-F395 HydrophobicContact CD2-CZ 3.87Å; Y319-F395 AromaticContact CE2-CZ 3.69Å; Y319-F395 HydrophobicContact CE2-CZ 3.69Å; N393-F395 PolarHBondContact O-N 3.14Å; N393-F395 VanDerWaalsContact O-N 3.14Å; N393-F395 PolarHBondContact OD1-N 3.3Å; F395-F397 VanDerWaalsContact C-N 3.28Å; F395-F397 PolarHBondContact O-N 3.3Å; F395-M398 WeakPolarHBondContact O-CB 3.27Å; F395-M398 PolarHBondContact O-N 3.45Å; F395-D399 PolarHBondContact O-N 3.5Å
396E98.3Very high97.6Very high74 Ų7447.5 Ų47.535%0.34624%0.236SC..Hα-helixtrans-57.7-41.7173.8-71166.8173.500111.6R388 L392 N393 D399 K400R388-E396 IonicContact CZ-OE2 2.87Å; R388-E396 IonicContact NH1-OE2 3.89Å; R388-E396 IonicContact NH2-OE1 3.92Å; R388-E396 PolarHBondContact NH2-OE1 2.75Å; R388-E396 IonicContact NH2-OE2 3.82Å; R388-E396 PolarHBondContact NH2-OE2 2.83Å; L392-E396 WeakPolarHBondContact CA-OE2 3.42Å; L392-E396 HydrophobicContact CB-CB 3.9Å; L392-E396 HydrophobicContact CD2-CB 4.18Å; L392-E396 HydrophobicContact CG-CB 4.42Å; N393-E396 VanDerWaalsContact CG-CD 3.45Å; N393-E396 PolarHBondContact N-OE2 3.33Å; N393-E396 VanDerWaalsContact ND2-CD 3.28Å; N393-E396 PolarHBondContact ND2-OE1 2.75Å; N393-E396 PolarHBondContact O-N 3.43Å; N393-E396 WeakPolarHBondContact OD1-CG 3.24Å; N393-E396 PolarHBondContact OD1-N 2.74Å; E396-D399 PolarHBondContact O-N 3.32Å; E396-K400 WeakPolarHBondContact O-CB 3.35Å; E396-K400 PolarHBondContact O-N 2.91Å
397F98.3Very high97.6Very high0 Ų050.3 Ų50.30%025%0.25CC..Hα-helixtrans-67.1-42.9177.8-173.7-124.6000111.5P329 I330 T366 I367 F371 T373 L392 N393 F395 D399 K400 L401P329-F397 HydrophobicContact CG-CD1 3.65Å; P329-F397 HydrophobicContact CG-CE1 3.78Å; I330-F397 HydrophobicContact CD1-CE1 3.96Å; I330-F397 HydrophobicContact CD1-CZ 4Å; I330-F397 HydrophobicContact CG1-CE1 4.07Å; I330-F397 HydrophobicContact CG1-CZ 4.41Å; T366-F397 HydrophobicContact CG2-CE2 3.91Å; I367-F397 HydrophobicContact CD1-CZ 4.33Å; I367-F397 HydrophobicContact CG1-CE2 4.32Å; I367-F397 HydrophobicContact CG1-CZ 3.88Å; F371-F397 WeakPolarHBondContact O-CE2 3.49Å; T373-F397 HydrophobicContact CG2-CB 4.11Å; T373-F397 HydrophobicContact CG2-CD1 3.65Å; T373-F397 HydrophobicContact CG2-CE1 4.27Å; T373-F397 HydrophobicContact CG2-CG 3.96Å; L392-F397 HydrophobicContact CB-CB 3.87Å; L392-F397 HydrophobicContact CD1-CB 4.44Å; L392-F397 HydrophobicContact CD1-CD2 4.25Å; N393-F397 WeakPolarHBondContact O-CB 3.38Å; N393-F397 PolarHBondContact O-N 3.06Å; F395-F397 VanDerWaalsContact C-N 3.28Å; F395-F397 PolarHBondContact O-N 3.3Å; F397-D399 VanDerWaalsContact C-N 3.32Å; F397-D399 PolarHBondContact O-N 2.99Å; F397-K400 PolarHBondContact O-N 3.38Å; F397-L401 HydrophobicContact CD1-CD1 4.04Å; F397-L401 HydrophobicContact CE1-CD1 3.75Å; F397-L401 HydrophobicContact CE1-CG 4.4Å; F397-L401 HydrophobicContact CE2-CD2 4.39Å; F397-L401 HydrophobicContact CE2-CG 4.31Å; F397-L401 HydrophobicContact CZ-CD1 4.02Å; F397-L401 HydrophobicContact CZ-CD2 4.2Å; F397-L401 HydrophobicContact CZ-CG 4.22Å; F397-L401 WeakPolarHBondContact O-CG 3.5Å; F397-L401 PolarHBondContact O-N 2.92Å
398M98.2Very high97.6Very high0 Ų045.9 Ų45.90%023%0.228CC..Hα-helixtrans-60.2-41.9174.8-168.965.766.100112.2I22 L25 I26 K29 L30 P329 T394 F395 L401 G402I22-M398 HydrophobicContact CG2-CE 3.97Å; L25-M398 HydrophobicContact CB-CE 4.22Å; L25-M398 HydrophobicContact CB-CG 4.18Å; I26-M398 HydrophobicContact CD1-CE 4.46Å; I26-M398 HydrophobicContact CG1-CE 3.58Å; I26-M398 HydrophobicContact CG1-SD 4.11Å; K29-M398 HydrophobicContact CB-CG 4.42Å; K29-M398 HydrophobicContact CD-CB 4.46Å; K29-M398 HydrophobicContact CD-CG 3.63Å; L30-M398 HydrophobicContact CD1-SD 3.5Å; L30-M398 WeakPolarHBondContact CD1-SD 3.34Å; L30-M398 HydrophobicContact CG-SD 3.98Å; P329-M398 HydrophobicContact CB-CE 3.59Å; P329-M398 HydrophobicContact CG-CE 3.98Å; T394-M398 WeakPolarHBondContact O-CB 3.45Å; T394-M398 PolarHBondContact O-N 3.4Å; F395-M398 WeakPolarHBondContact O-CB 3.27Å; F395-M398 PolarHBondContact O-N 3.45Å; M398-L401 PolarHBondContact O-N 3.38Å; M398-G402 PolarHBondContact O-N 3.11Å
399D98.4Very high97.6Very high80 Ų8041.9 Ų41.943%0.42821%0.213SC..Hα-helixtrans-63.8-42.3175.8-74.1-22.5000111.5K29 F395 E396 F397 L401 G402 E403K29-D399 VanDerWaalsContact CE-OD1 3.29Å; K29-D399 WeakPolarHBondContact CE-OD1 3.49Å; K29-D399 IonicContact NZ-OD1 2.88Å; K29-D399 PolarHBondContact NZ-OD1 2.97Å; F395-D399 PolarHBondContact O-N 3.5Å; E396-D399 PolarHBondContact O-N 3.32Å; F397-D399 VanDerWaalsContact C-N 3.32Å; F397-D399 PolarHBondContact O-N 2.99Å; D399-L401 VanDerWaalsContact C-N 3.34Å; D399-L401 PolarHBondContact O-N 3.23Å; D399-G402 PolarHBondContact O-N 2.81Å; D399-E403 PolarHBondContact O-N 3.02Å
400K98.6Very high97.5Very high34 Ų3440.3 Ų40.315%0.14821%0.207CC..Hα-helixtrans-64.1-39.6178-170.552.7172170.50112.4T366 F371 L392 E396 F397 E403 N404T366-K400 HydrophobicContact CG2-CG 3.93Å; F371-K400 HydrophobicContact CB-CG 4.12Å; F371-K400 HydrophobicContact CD1-CG 4.3Å; F371-K400 HydrophobicContact CD2-CG 4.39Å; F371-K400 HydrophobicContact CG-CG 4.02Å; L392-K400 HydrophobicContact CD1-CB 3.94Å; L392-K400 HydrophobicContact CD1-CG 4.29Å; E396-K400 WeakPolarHBondContact O-CB 3.35Å; E396-K400 PolarHBondContact O-N 2.91Å; F397-K400 PolarHBondContact O-N 3.38Å; K400-E403 WeakPolarHBondContact CD-OE2 3.46Å; K400-E403 IonicContact NZ-OE1 2.7Å; K400-E403 PolarHBondContact NZ-OE1 2.99Å; K400-E403 IonicContact NZ-OE2 2.8Å; K400-E403 PolarHBondContact NZ-OE2 3.32Å; K400-E403 PolarHBondContact O-N 2.93Å; K400-N404 WeakPolarHBondContact O-CB 3.07Å; K400-N404 PolarHBondContact O-N 2.95Å
401L98.7Very high97.2Very high0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-61.8-44.3172.9-69.9171.2000111.5L30 P329 I333 V362 T366 F397 M398 D399 E403 N404 L405L30-L401 HydrophobicContact CD2-CB 4.13Å; P329-L401 HydrophobicContact CG-CD1 4.31Å; I333-L401 HydrophobicContact CD1-CD1 3.56Å; V362-L401 HydrophobicContact CG1-CD2 4.33Å; T366-L401 HydrophobicContact CG2-CD2 3.99Å; F397-L401 HydrophobicContact CD1-CD1 4.04Å; F397-L401 HydrophobicContact CE1-CD1 3.75Å; F397-L401 HydrophobicContact CE1-CG 4.4Å; F397-L401 HydrophobicContact CE2-CD2 4.39Å; F397-L401 HydrophobicContact CE2-CG 4.31Å; F397-L401 HydrophobicContact CZ-CD1 4.02Å; F397-L401 HydrophobicContact CZ-CD2 4.2Å; F397-L401 HydrophobicContact CZ-CG 4.22Å; F397-L401 WeakPolarHBondContact O-CG 3.5Å; F397-L401 PolarHBondContact O-N 2.92Å; M398-L401 PolarHBondContact O-N 3.38Å; D399-L401 VanDerWaalsContact C-N 3.34Å; D399-L401 PolarHBondContact O-N 3.23Å; L401-E403 PolarHBondContact O-N 3.41Å; L401-N404 PolarHBondContact O-N 3.2Å; L401-L405 VanDerWaalsContact O-CB 3.24Å; L401-L405 WeakPolarHBondContact O-CB 3.23Å; L401-L405 PolarHBondContact O-N 2.87Å
402G98.3Very high96.8Very high14 Ų1446.8 Ų46.814%0.14425%0.245CC..Hα-helixtrans-62.8-40.9177.200000113.3M398 D399 K406M398-G402 PolarHBondContact O-N 3.11Å; D399-G402 PolarHBondContact O-N 2.81Å; G402-K406 WeakPolarHBondContact O-CB 3.42Å; G402-K406 PolarHBondContact O-N 2.93Å
403E98.2Very high96Very high98 Ų9854.5 Ų54.546%0.45828%0.276SS..Hα-helixtrans-59.1-53174-174.9-161.7146.900111.2D399 K400 L401 L405 K406 I407D399-E403 PolarHBondContact O-N 3.02Å; K400-E403 WeakPolarHBondContact CD-OE2 3.46Å; K400-E403 IonicContact NZ-OE1 2.7Å; K400-E403 PolarHBondContact NZ-OE1 2.99Å; K400-E403 IonicContact NZ-OE2 2.8Å; K400-E403 PolarHBondContact NZ-OE2 3.32Å; K400-E403 PolarHBondContact O-N 2.93Å; L401-E403 PolarHBondContact O-N 3.41Å; E403-L405 PolarHBondContact O-N 3.4Å; E403-K406 PolarHBondContact O-N 3.38Å; E403-I407 HydrophobicContact CG-CD1 4.44Å; E403-I407 WeakPolarHBondContact O-CG1 3.4Å; E403-I407 PolarHBondContact O-N 2.88Å
404N98.4Very high94.8Very high35 Ų3556.9 Ų56.919%0.18729%0.289CS..Hα-helixtrans-66.5-38.2-177.6-70.6-9.8000111.8V362 T366 K400 L401 I407 K408V362-N404 HydrophobicContact CG1-CB 3.73Å; T366-N404 PolarHBondContact OG1-ND2 3Å; K400-N404 WeakPolarHBondContact O-CB 3.07Å; K400-N404 PolarHBondContact O-N 2.95Å; L401-N404 PolarHBondContact O-N 3.2Å; N404-I407 PolarHBondContact O-N 2.83Å; N404-K408 PolarHBondContact O-N 3.07Å
405L98.1Very high94.7Very high0 Ų059.7 Ų59.70%030%0.303CS..Hα-helixtrans-61.7-46175.9-179.264.7000111.5L30 Y34 F355 L359 V362 L401 E403 I407 K408 L409L30-L405 HydrophobicContact CB-CD2 4.34Å; L30-L405 HydrophobicContact CD2-CD2 4.23Å; Y34-L405 HydrophobicContact CD2-CD2 4.08Å; Y34-L405 HydrophobicContact CE2-CD2 3.63Å; Y34-L405 HydrophobicContact CE2-CG 4.24Å; F355-L405 HydrophobicContact CE2-CD2 4.32Å; L359-L405 HydrophobicContact CB-CD1 4.23Å; L359-L405 HydrophobicContact CD1-CD1 4.2Å; L359-L405 HydrophobicContact CD1-CD2 3.95Å; V362-L405 HydrophobicContact CG1-CB 4.25Å; V362-L405 HydrophobicContact CG2-CB 4.49Å; V362-L405 HydrophobicContact CG2-CD1 4.2Å; L401-L405 VanDerWaalsContact O-CB 3.24Å; L401-L405 WeakPolarHBondContact O-CB 3.23Å; L401-L405 PolarHBondContact O-N 2.87Å; E403-L405 PolarHBondContact O-N 3.4Å; L405-I407 VanDerWaalsContact C-N 3.27Å; L405-I407 PolarHBondContact O-N 3.17Å; L405-K408 PolarHBondContact O-N 3.39Å; L405-L409 HydrophobicContact CD1-CD1 3.97Å; L405-L409 HydrophobicContact CD1-CD2 4.48Å; L405-L409 HydrophobicContact CD1-CG 4.01Å; L405-L409 HydrophobicContact CG-CD1 3.9Å; L405-L409 HydrophobicContact CG-CG 4.29Å; L405-L409 WeakPolarHBondContact O-CG 3.41Å; L405-L409 PolarHBondContact O-N 3.33Å
406K96.8Very high94.6Very high142 Ų14259.3 Ų59.362%0.61730%0.304SS*.Hα-helixtrans-57.4-42.1177.2-173.9-179.3178.7-178.20111.6Y34 G402 E403 A410Y34-K406 WeakPolarHBondContact OH-CB 3.38Å; G402-K406 WeakPolarHBondContact O-CB 3.42Å; G402-K406 PolarHBondContact O-N 2.93Å; E403-K406 PolarHBondContact O-N 3.38Å; K406-A410 VanDerWaalsContact O-CB 3.28Å; K406-A410 WeakPolarHBondContact O-CB 3.46Å; K406-A410 PolarHBondContact O-N 2.86Å; K406-A410 VanDerWaalsContact O-N 3.07Å
407I96.9Very high94.4Very high78 Ų7858.5 Ų58.540%0.430%0.301SS..Hα-helixtrans-63.8-49.1177.4-66.3166.2000110.4E403 N404 L405 L409 A410 Q411E403-I407 HydrophobicContact CG-CD1 4.44Å; E403-I407 WeakPolarHBondContact O-CG1 3.4Å; E403-I407 PolarHBondContact O-N 2.88Å; N404-I407 PolarHBondContact O-N 2.83Å; L405-I407 VanDerWaalsContact C-N 3.27Å; L405-I407 PolarHBondContact O-N 3.17Å; I407-L409 PolarHBondContact O-N 2.88Å; I407-A410 PolarHBondContact O-N 2.87Å; I407-Q411 WeakPolarHBondContact O-CG 3.14Å; I407-Q411 PolarHBondContact O-N 3.09Å
408K96.5Very high94.1Very high36 Ų3661.9 Ų61.916%0.15732%0.319CS..Hα-helixtrans-62.9-43.9-177.5-166.8172.6-173.9125.80112.4A358 E361 V362 E365 N404 L405 Q411 A412A358-K408 HydrophobicContact CB-CD 4.31Å; E361-K408 WeakPolarHBondContact OE2-CE 3.45Å; E361-K408 IonicContact OE2-NZ 2.87Å; E361-K408 PolarHBondContact OE2-NZ 2.93Å; V362-K408 HydrophobicContact CG2-CB 3.92Å; V362-K408 HydrophobicContact CG2-CD 3.37Å; V362-K408 HydrophobicContact CG2-CG 4.29Å; E365-K408 IonicContact OE1-NZ 2.75Å; E365-K408 PolarHBondContact OE1-NZ 2.82Å; E365-K408 IonicContact OE2-NZ 2.92Å; E365-K408 PolarHBondContact OE2-NZ 2.85Å; N404-K408 PolarHBondContact O-N 3.07Å; L405-K408 PolarHBondContact O-N 3.39Å; K408-Q411 PolarHBondContact O-N 2.8Å; K408-A412 PolarHBondContact O-N 3.21Å; K408-A412 VanDerWaalsContact O-N 3.12Å
409L95.2Very high93.9Very high3 Ų365.8 Ų65.82%0.01634%0.339CS..Hα-helixtrans-65.8-41.4177.4-65.3179.2000111.8Y34 F354 F355 A358 L405 I407 Q411 A412 K413 L414Y34-L409 HydrophobicContact CD1-CD1 3.46Å; Y34-L409 VanDerWaalsContact CD1-CD1 3.46Å; Y34-L409 HydrophobicContact CD2-CD1 4.13Å; Y34-L409 HydrophobicContact CE1-CD1 3.65Å; Y34-L409 HydrophobicContact CE2-CD1 4.3Å; Y34-L409 HydrophobicContact CG-CD1 3.71Å; F354-L409 HydrophobicContact CD1-CD2 4.47Å; F354-L409 HydrophobicContact CE1-CD2 3.99Å; F355-L409 HydrophobicContact CD2-CD1 4Å; F355-L409 HydrophobicContact CD2-CD2 4.35Å; F355-L409 HydrophobicContact CE2-CD1 4.19Å; A358-L409 HydrophobicContact CB-CD2 4.14Å; L405-L409 HydrophobicContact CD1-CD1 3.97Å; L405-L409 HydrophobicContact CD1-CD2 4.48Å; L405-L409 HydrophobicContact CD1-CG 4.01Å; L405-L409 HydrophobicContact CG-CD1 3.9Å; L405-L409 HydrophobicContact CG-CG 4.29Å; L405-L409 WeakPolarHBondContact O-CG 3.41Å; L405-L409 PolarHBondContact O-N 3.33Å; I407-L409 PolarHBondContact O-N 2.88Å; L409-Q411 VanDerWaalsContact C-N 3.33Å; L409-Q411 PolarHBondContact O-N 2.86Å; L409-A412 CarbonylContact O-C 3.55Å; L409-A412 PolarHBondContact O-N 3.36Å; L409-A412 VanDerWaalsContact O-N 3.13Å; L409-K413 PolarHBondContact O-N 2.79Å; L409-K413 VanDerWaalsContact O-N 3.15Å; L409-L414 PolarHBondContact O-N 2.81Å
410A93.5Very high93.6Very high68 Ų6864.9 Ų64.956%0.56233%0.333SS*.Hα-helixtrans-61.8-38.7175.900000112.7K406 I407 A412 K413K406-A410 VanDerWaalsContact O-CB 3.28Å; K406-A410 WeakPolarHBondContact O-CB 3.46Å; K406-A410 PolarHBondContact O-N 2.86Å; K406-A410 VanDerWaalsContact O-N 3.07Å; I407-A410 PolarHBondContact O-N 2.87Å; A410-A412 VanDerWaalsContact C-N 3.32Å; A410-K413 PolarHBondContact O-N 3.19Å; A410-K413 VanDerWaalsContact O-N 3.16Å
411Q91.9Very high93.2Very high151 Ų15167.1 Ų67.171%0.70635%0.346SS*.Hα-helixtrans-65.8-35.3175.2-72.2173-4.200112.4I407 K408 L409 K413I407-Q411 WeakPolarHBondContact O-CG 3.14Å; I407-Q411 PolarHBondContact O-N 3.09Å; K408-Q411 PolarHBondContact O-N 2.8Å; L409-Q411 VanDerWaalsContact C-N 3.33Å; L409-Q411 PolarHBondContact O-N 2.86Å; Q411-K413 PolarHBondContact O-N 3.42Å
412A88.9Confident92.8Very high44 Ų4472.2 Ų72.236%0.36437%0.373SS..THydrogen-bonded Turntrans-76.6-3.3174.800000113.9F354 K408 L409 A410 L414F354-A412 HydrophobicContact CE1-CB 3.53Å; F354-A412 HydrophobicContact CE2-CB 4.35Å; F354-A412 HydrophobicContact CZ-CB 3.31Å; K408-A412 PolarHBondContact O-N 3.21Å; K408-A412 VanDerWaalsContact O-N 3.12Å; L409-A412 CarbonylContact O-C 3.55Å; L409-A412 PolarHBondContact O-N 3.36Å; L409-A412 VanDerWaalsContact O-N 3.13Å; A410-A412 VanDerWaalsContact C-N 3.32Å; A412-L414 VanDerWaalsContact C-N 3.29Å; A412-L414 PolarHBondContact O-N 2.91Å
413K81.3Confident92.3Very high198 Ų19877.1 Ų77.186%0.86139%0.392SS*.THydrogen-bonded Turntrans59.536.5-174.5-53.7178.8179.6177.50113.2L409 A410 Q411L409-K413 PolarHBondContact O-N 2.79Å; L409-K413 VanDerWaalsContact O-N 3.15Å; A410-K413 PolarHBondContact O-N 3.19Å; A410-K413 VanDerWaalsContact O-N 3.16Å; Q411-K413 PolarHBondContact O-N 3.42Å
414L72.3Confident91.8Very high72 Ų7275.2 Ų75.238%0.37739%0.386SS..  trans-103.60175.2-133.2118.2000111.8I5 F354 L409 A412I5-L414 HydrophobicContact CD1-CD2 3.32Å; I5-L414 HydrophobicContact CG1-CD2 3.8Å; F354-L414 HydrophobicContact CD1-CD1 3.75Å; F354-L414 HydrophobicContact CE1-CD1 4.24Å; F354-L414 HydrophobicContact CG-CD1 4.45Å; L409-L414 PolarHBondContact O-N 2.81Å; A412-L414 VanDerWaalsContact C-N 3.29Å; A412-L414 PolarHBondContact O-N 2.91Å

Retrieved 414 of 414 residues in 206.2 ms (Link to these results)

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