A0A3Q0KKL9_SCHMA Loading...

Nicotinamide-nucleotide adenylyltransferase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 383 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
1M40.6Very low73.5Confident234 Ų23472.1 Ų72.1100%1.15336%0.359SS*.  0122.10-73.7179.4167.400107.8N3M1-N3 PolarHBondContact O-N 3.08Å
2C47Very low75.5Confident95 Ų9566.2 Ų66.264%0.64233%0.329SS*.  trans-69.8109.1174.6-179.20000107.7K4C2-K4 PolarHBondContact O-N 3.19Å
3N54.1Low77.3Confident121 Ų12161.2 Ų61.265%0.64730%0.304SS*.  trans-68.485.6173.7-77.2-14.3000108.4M1 Q5M1-N3 PolarHBondContact O-N 3.08Å; N3-Q5 PolarHBondContact O-N 3.25Å
4K61.9Low78.8Confident124 Ų12456.9 Ų56.954%0.53928%0.283SS..  trans-69.1113.9171.9-72.1-172.6176.7-178.50108.1C2C2-K4 PolarHBondContact O-N 3.19Å
5Q70.5Confident80.1Confident52 Ų5253.5 Ų53.524%0.24327%0.267CS..  trans-88.2115.1172.6-169.2172.735.200108.7N3 R7 H71 D72 A253 N254 L256N3-Q5 PolarHBondContact O-N 3.25Å; Q5-R7 PolarHBondContact O-N 3.46Å; Q5-H71 WeakPolarHBondContact O-CA 3.41Å; Q5-H71 PolarHBondContact O-ND1 3.27Å; Q5-H71 PolarHBondContact OE1-CE1 3.2Å; Q5-D72 PolarHBondContact O-N 2.59Å; Q5-A253 PolarHBondContact NE2-O 3.17Å; Q5-N254 CarbonylContact C-O 3.46Å; Q5-N254 WeakPolarHBondContact CA-O 3.35Å; Q5-L256 HydrophobicContact CG-CB 4.28Å
6L79.6Confident81.2Confident40 Ų4051.3 Ų51.321%0.20926%0.258CS..EExtended strand (participates in β ladder)trans-73.2117.7176.5177.168.2000109.2I8 D72 R74 N254 V255 L256L6-I8 HydrophobicContact CD2-CD1 4.14Å; L6-I8 HydrophobicContact CD2-CG1 4.18Å; L6-I8 HydrophobicContact CG-CG1 4.07Å; L6-D72 HydrophobicContact CD1-CB 3.89Å; L6-D72 WeakPolarHBondContact CD1-O 3.39Å; L6-R74 HydrophobicContact CD1-CB 4.05Å; L6-N254 PolarHBondContact N-O 3.34Å; L6-V255 HydrophobicContact CB-CG2 4.47Å; L6-V255 HydrophobicContact CD2-CG2 4.39Å; L6-V255 CarbonylContact O-C 3.54Å; L6-V255 VanDerWaalsContact O-CA 3.31Å; L6-V255 WeakPolarHBondContact O-CA 3.37Å; L6-L256 PolarHBondContact O-N 2.8Å
7R84.8Confident82.1Confident91 Ų9149.6 Ų49.634%0.34326%0.257SS..EExtended strand (participates in β ladder)trans-96.4119.4173.2-171.4172.4-176.5161.61.7109.1Q5 D72 H73 R74 L256 S258Q5-R7 PolarHBondContact O-N 3.46Å; R7-D72 PolarHBondContact N-O 3.17Å; R7-H73 WeakPolarHBondContact O-CA 3.46Å; R7-R74 PolarHBondContact O-N 3.41Å; R7-L256 CarbonylContact C-O 3.59Å; R7-L256 WeakPolarHBondContact CA-O 3.45Å; R7-L256 HydrophobicContact CG-CB 4.46Å; R7-L256 HydrophobicContact CG-CD2 4.17Å; R7-S258 VanDerWaalsContact CG-OG 3.31Å; R7-S258 WeakPolarHBondContact CG-OG 3.29Å; R7-S258 PolarHBondContact NE-OG 3.26Å
8I88.7Confident83Confident2 Ų247.9 Ų47.91%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-102.2126.8177-61.1177.7000108.7L6 R74 V76 L206 L209 V255 L256 L257 S258L6-I8 HydrophobicContact CD2-CD1 4.14Å; L6-I8 HydrophobicContact CD2-CG1 4.18Å; L6-I8 HydrophobicContact CG-CG1 4.07Å; I8-R74 CarbonylContact C-O 3.56Å; I8-R74 VanDerWaalsContact CA-O 3.32Å; I8-R74 WeakPolarHBondContact CA-O 3.32Å; I8-V76 HydrophobicContact CG2-CB 4.4Å; I8-V76 HydrophobicContact CG2-CG2 3.9Å; I8-L206 HydrophobicContact CG2-CD2 4.1Å; I8-L209 HydrophobicContact CD1-CB 4.37Å; I8-V255 HydrophobicContact CD1-CG1 3.66Å; I8-V255 HydrophobicContact CG1-CG1 4.06Å; I8-L256 PolarHBondContact N-O 2.94Å; I8-L257 HydrophobicContact CB-CD2 3.83Å; I8-L257 HydrophobicContact CG2-CD2 3.91Å; I8-S258 PolarHBondContact O-N 3.32Å; I8-S258 PolarHBondContact O-OG 2.99Å
9E91Very high83.8Confident34 Ų3445.5 Ų45.516%0.15924%0.237CC..EExtended strand (participates in β ladder)trans-109.7108.9173.4-179.3-177-164.300109.1V11 H73 R74 R75 V76 C261E9-V11 PolarHBondContact O-N 2.85Å; E9-H73 IonicContact OE2-CD2 3.47Å; E9-H73 IonicContact OE2-CE1 3.94Å; E9-H73 IonicContact OE2-NE2 2.92Å; E9-H73 PolarHBondContact OE2-NE2 3.02Å; E9-R74 PolarHBondContact N-O 2.81Å; E9-R75 HydrophobicContact CB-CG 4.16Å; E9-R75 HydrophobicContact CG-CG 4.49Å; E9-R75 WeakPolarHBondContact O-CA 3.25Å; E9-R75 VanDerWaalsContact OE2-CG 3.32Å; E9-R75 WeakPolarHBondContact OE2-CG 3.43Å; E9-R75 IonicContact OE2-CZ 2.7Å; E9-R75 IonicContact OE2-NE 3.56Å; E9-R75 PolarHBondContact OE2-NE 2.81Å; E9-R75 IonicContact OE2-NH2 2.77Å; E9-V76 PolarHBondContact O-N 2.86Å; E9-C261 PolarHBondContact OE1-SG 3.39Å
10P93.9Very high84.5Confident0 Ų043.5 Ų43.50%023%0.227CC..EExtended strand (participates in β ladder)trans-68129.7174-17.832.2000110.6V78 F203 L206 S258 P260 C261P10-V78 HydrophobicContact CB-CG1 4.04Å; P10-V78 HydrophobicContact CB-CG2 4.01Å; P10-F203 HydrophobicContact CB-CE1 4.35Å; P10-L206 HydrophobicContact CB-CD1 3.96Å; P10-L206 HydrophobicContact CG-CD1 3.54Å; P10-L206 HydrophobicContact CG-CD2 4.39Å; P10-S258 WeakPolarHBondContact CD-O 3.36Å; P10-P260 HydrophobicContact CB-CB 4.22Å; P10-P260 CarbonylContact O-C 3.53Å; P10-P260 VanDerWaalsContact O-CA 3.27Å; P10-P260 WeakPolarHBondContact O-CA 3.31Å; P10-C261 PolarHBondContact O-N 3.25Å
11V96Very high85.1Confident0 Ų041.4 Ų41.40%022%0.216CC..EExtended strand (participates in β ladder)trans-117.8127.6-180-172.90000109.6E9 L13 I37 R75 V76 V77 V78 K263E9-V11 PolarHBondContact O-N 2.85Å; V11-L13 HydrophobicContact CG1-CD2 4.11Å; V11-I37 HydrophobicContact CB-CG2 4.31Å; V11-I37 HydrophobicContact CG1-CG2 4.42Å; V11-I37 HydrophobicContact CG2-CG2 3.99Å; V11-R75 HydrophobicContact CG2-CB 3.88Å; V11-R75 HydrophobicContact CG2-CG 4.15Å; V11-V76 PolarHBondContact N-O 2.96Å; V11-V77 HydrophobicContact CB-CG2 4.37Å; V11-V77 VanDerWaalsContact O-CA 3.31Å; V11-V77 WeakPolarHBondContact O-CA 3.48Å; V11-V78 WeakPolarHBondContact O-CG2 3.27Å; V11-V78 PolarHBondContact O-N 3.39Å; V11-K263 HydrophobicContact CG1-CD 4.43Å; V11-K263 HydrophobicContact CG1-CG 4.17Å
12F97.8Very high87.9Confident1 Ų130.2 Ų30.20%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-100.4138.1165.3-87.6-95.3000110.5V78 G79 I81 L141 W198 L199 C202 F203 C261 V262 K263F12-V78 HydrophobicContact CD2-CG2 3.45Å; F12-V78 VanDerWaalsContact CD2-CG2 3.45Å; F12-V78 HydrophobicContact CE2-CB 4.37Å; F12-V78 HydrophobicContact CE2-CG2 3.19Å; F12-V78 HydrophobicContact CG-CG2 4.27Å; F12-V78 HydrophobicContact CZ-CG2 3.83Å; F12-G79 WeakPolarHBondContact CA-O 3.44Å; F12-I81 HydrophobicContact CD1-CD1 4.37Å; F12-L141 HydrophobicContact CB-CD1 3.64Å; F12-L141 HydrophobicContact CD1-CD1 4.17Å; F12-L141 HydrophobicContact CD1-CD2 3.95Å; F12-L141 HydrophobicContact CD2-CD1 3.67Å; F12-L141 HydrophobicContact CD2-CD2 3.58Å; F12-L141 HydrophobicContact CD2-CG 4.24Å; F12-L141 HydrophobicContact CE1-CD2 3.76Å; F12-L141 HydrophobicContact CE2-CD1 4.34Å; F12-L141 HydrophobicContact CE2-CD2 3.37Å; F12-L141 HydrophobicContact CE2-CG 4.44Å; F12-L141 HydrophobicContact CG-CD1 3.55Å; F12-L141 HydrophobicContact CG-CD2 3.85Å; F12-L141 HydrophobicContact CG-CG 4.37Å; F12-L141 HydrophobicContact CZ-CD2 3.45Å; F12-L141 VanDerWaalsContact CZ-CD2 3.45Å; F12-W198 HydrophobicContact CE1-CH2 4.2Å; F12-W198 AromaticContact CE1-CZ3 3.92Å; F12-W198 HydrophobicContact CE1-CZ3 3.92Å; F12-L199 HydrophobicContact CE1-CD2 3.92Å; F12-L199 HydrophobicContact CZ-CD2 4.16Å; F12-C202 HydrophobicContact CE1-CB 4.17Å; F12-C202 HydrophobicContact CE2-CB 4.48Å; F12-C202 HydrophobicContact CZ-CB 3.55Å; F12-F203 HydrophobicContact CD2-CZ 4.5Å; F12-F203 AromaticContact CE2-CE1 3.78Å; F12-F203 HydrophobicContact CE2-CE1 3.78Å; F12-F203 HydrophobicContact CE2-CE2 4.26Å; F12-F203 AromaticContact CE2-CZ 3.58Å; F12-F203 HydrophobicContact CE2-CZ 3.58Å; F12-F203 HydrophobicContact CZ-CZ 4.27Å; F12-C261 PolarHBondContact N-O 3.01Å; F12-V262 HydrophobicContact CB-CG2 4.29Å; F12-V262 CarbonylContact O-C 3.58Å; F12-V262 WeakPolarHBondContact O-CA 3.15Å; F12-K263 PolarHBondContact O-N 3.25Å
13L98.5Very high90.3Very high1 Ų125.7 Ų25.71%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-101.2127.8175.2-61.6-173.9000109.6V11 M30 A33 R34 V77 G79 G80 I81 W114 K263 V265 I295V11-L13 HydrophobicContact CG1-CD2 4.11Å; L13-M30 HydrophobicContact CB-CE 3.56Å; L13-A33 HydrophobicContact CD1-CB 3.79Å; L13-R34 HydrophobicContact CD1-CB 4.23Å; L13-V77 HydrophobicContact CD1-CG1 3.98Å; L13-V77 HydrophobicContact CD1-CG2 4.27Å; L13-V77 HydrophobicContact CG-CG1 3.97Å; L13-V77 HydrophobicContact CG-CG2 4.39Å; L13-G79 PolarHBondContact N-O 3.05Å; L13-G80 CarbonylContact O-C 3.54Å; L13-G80 VanDerWaalsContact O-CA 3.23Å; L13-G80 WeakPolarHBondContact O-CA 3.46Å; L13-I81 PolarHBondContact O-N 3.18Å; L13-W114 HydrophobicContact CB-CZ3 4.5Å; L13-W114 HydrophobicContact CD1-CH2 3.88Å; L13-W114 HydrophobicContact CD1-CZ3 4.03Å; L13-K263 HydrophobicContact CD2-CB 4.09Å; L13-V265 HydrophobicContact CB-CG2 3.83Å; L13-V265 HydrophobicContact CD1-CG2 4.24Å; L13-V265 HydrophobicContact CD2-CG2 4Å; L13-V265 HydrophobicContact CG-CG2 4.24Å; L13-I295 HydrophobicContact CD2-CD1 3.54Å
14L98.7Very high92.4Very high1 Ų122.7 Ų22.71%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-115.4128.1176.5179.266.9000109.8I81 V133 L134 I137 V262 K263 L264 V265L14-I81 WeakPolarHBondContact CA-O 3.36Å; L14-I81 HydrophobicContact CD1-CB 4Å; L14-I81 HydrophobicContact CD1-CG2 3.9Å; L14-V133 HydrophobicContact CD2-CG1 4.26Å; L14-L134 HydrophobicContact CB-CD2 4.38Å; L14-L134 HydrophobicContact CD2-CD2 3.55Å; L14-L134 HydrophobicContact CD2-CG 3.85Å; L14-I137 HydrophobicContact CD1-CG1 4.19Å; L14-I137 HydrophobicContact CD2-CG1 4.25Å; L14-V262 HydrophobicContact CB-CG1 3.95Å; L14-K263 PolarHBondContact N-O 3.39Å; L14-L264 CarbonylContact O-C 3.6Å; L14-L264 WeakPolarHBondContact O-CA 3.31Å; L14-V265 PolarHBondContact O-N 3.22Å
15S98.5Very high93.9Very high6 Ų616.9 Ų16.94%0.0429%0.091CC..EExtended strand (participates in β ladder)trans-120.3113.2168.9-168.20000110.5F19 I81 F82 S83 V265S15-F19 WeakPolarHBondContact O-CZ 3.32Å; S15-I81 PolarHBondContact N-O 2.81Å; S15-F82 WeakPolarHBondContact O-CA 3.42Å; S15-S83 PolarHBondContact O-N 3.43Å; S15-V265 PolarHBondContact OG-O 3.05Å; S15-V265 VanDerWaalsContact OG-O 3.14Å
16C98Very high95.2Very high18 Ų1816 Ų1612%0.1229%0.087CC..EExtended strand (participates in β ladder)trans-92141.3173.7-570000110S83 T130C16-S83 WeakPolarHBondContact CA-O 3.2Å; C16-T130 HydrophobicContact CB-CG2 4.37Å
17G97.1Very high96.1Very high24 Ų2414.7 Ų14.725%0.2478%0.08CC..EExtended strand (participates in β ladder)trans178.4174.2-179.400000114.6F19 S83 P84 V85G17-F19 VanDerWaalsContact N-CE2 3.35Å; G17-F19 VanDerWaalsContact O-CD2 3.29Å; G17-F19 WeakPolarHBondContact O-CD2 3.5Å; G17-S83 PolarHBondContact N-O 2.86Å; G17-S83 VanDerWaalsContact N-O 3.17Å; G17-P84 CarbonylContact O-C 3.57Å; G17-P84 WeakPolarHBondContact O-CA 3.33Å; G17-V85 PolarHBondContact O-N 3.44Å
18S97.4Very high96.6Very high18 Ų1814.6 Ų14.613%0.1268%0.079CC..  trans-70.1-36.9176.7-52.30000112.6N20 K91 R100S18-N20 PolarHBondContact O-N 2.84Å; S18-K91 WeakPolarHBondContact OG-CD 3.48Å; S18-K91 PolarHBondContact OG-NZ 2.74Å; S18-R100 VanDerWaalsContact O-CD 3.31Å; S18-R100 WeakPolarHBondContact O-CD 3.43Å; S18-R100 PolarHBondContact O-NH1 3.29Å; S18-R100 VanDerWaalsContact O-NH1 3.09Å
19F98Very high97Very high3 Ų315.2 Ų15.21%0.0138%0.082CC..  trans43.957.3-172.7-51.7-69.3000112.5S15 G17 P21 I22 H26 F82 P84S15-F19 WeakPolarHBondContact O-CZ 3.32Å; G17-F19 VanDerWaalsContact N-CE2 3.35Å; G17-F19 VanDerWaalsContact O-CD2 3.29Å; G17-F19 WeakPolarHBondContact O-CD2 3.5Å; F19-P21 VanDerWaalsContact C-CA 3.45Å; F19-P21 CarbonylContact C-O 3.6Å; F19-P21 CarbonylContact O-C 3.55Å; F19-P21 VanDerWaalsContact O-CA 3.3Å; F19-P21 WeakPolarHBondContact O-CA 3.29Å; F19-I22 HydrophobicContact CB-CB 4.19Å; F19-I22 HydrophobicContact CD1-CB 4.49Å; F19-I22 HydrophobicContact CD1-CD1 4.31Å; F19-I22 HydrophobicContact CD1-CG1 4.23Å; F19-I22 PolarHBondContact O-N 2.98Å; F19-H26 HydrophobicContact CD1-CB 4.3Å; F19-H26 AromaticContact CD1-CD2 3.57Å; F19-H26 AromaticContact CD1-CG 3.87Å; F19-H26 HydrophobicContact CE1-CB 4.18Å; F19-H26 AromaticContact CE1-CD2 3.49Å; F19-H26 VanDerWaalsContact CE1-CD2 3.49Å; F19-H26 WeakPolarHBondContact CE1-CD2 3.38Å; F19-H26 AromaticContact CE1-CG 3.98Å; F19-F82 HydrophobicContact CD1-CD1 4.41Å; F19-F82 AromaticContact CE1-CD1 3.53Å; F19-F82 HydrophobicContact CE1-CD1 3.53Å; F19-F82 AromaticContact CE1-CE1 3.93Å; F19-F82 HydrophobicContact CE1-CE1 3.93Å; F19-F82 HydrophobicContact CE1-CG 4.41Å; F19-F82 HydrophobicContact CE2-CB 4.23Å; F19-F82 HydrophobicContact CE2-CD1 4.26Å; F19-F82 HydrophobicContact CZ-CB 4.25Å; F19-F82 AromaticContact CZ-CD1 3.46Å; F19-F82 HydrophobicContact CZ-CD1 3.46Å; F19-F82 VanDerWaalsContact CZ-CD1 3.46Å; F19-F82 HydrophobicContact CZ-CE1 4.24Å; F19-F82 HydrophobicContact CZ-CG 4.26Å; F19-P84 HydrophobicContact CD2-CB 4.1Å; F19-P84 HydrophobicContact CD2-CG 3.97Å
20N97.9Very high97.3Very high4 Ų413.6 Ų13.62%0.0218%0.075CC..THydrogen-bonded Turntrans-122.369.3-169.9-173.748.4000113.1S18 G93 L94 L95 S334 R338 Y365S18-N20 PolarHBondContact O-N 2.84Å; N20-G93 PolarHBondContact ND2-O 3.37Å; N20-L94 HydrophobicContact CB-CD1 3.97Å; N20-L94 WeakPolarHBondContact ND2-CA 3.05Å; N20-L95 WeakPolarHBondContact OD1-CB 3.4Å; N20-L95 WeakPolarHBondContact OD1-CG 3.49Å; N20-L95 PolarHBondContact OD1-N 3.24Å; N20-S334 WeakPolarHBondContact O-CB 3.21Å; N20-R338 WeakPolarHBondContact O-CD 3.34Å; N20-R338 PolarHBondContact O-NH1 3.43Å; N20-Y365 WeakPolarHBondContact CA-OH 3.47Å; N20-Y365 WeakPolarHBondContact OD1-CE1 3.34Å; N20-Y365 PolarHBondContact OD1-OH 3.42Å
21P98.1Very high97.5Very high0 Ų016.4 Ų16.40%09%0.088CC..THydrogen-bonded Turncis-87.2172-2.734.5-34.3000112.2F19 L103 S334 I337 I359 Y365F19-P21 VanDerWaalsContact C-CA 3.45Å; F19-P21 CarbonylContact C-O 3.6Å; F19-P21 CarbonylContact O-C 3.55Å; F19-P21 VanDerWaalsContact O-CA 3.3Å; F19-P21 WeakPolarHBondContact O-CA 3.29Å; P21-L103 HydrophobicContact CB-CD1 4.04Å; P21-S334 WeakPolarHBondContact O-CB 3.49Å; P21-S334 PolarHBondContact O-OG 3.45Å; P21-I337 HydrophobicContact CG-CB 4.32Å; P21-I337 HydrophobicContact CG-CG2 3.57Å; P21-I359 HydrophobicContact CB-CD1 4.02Å; P21-I359 HydrophobicContact CG-CD1 4.12Å; P21-Y365 WeakPolarHBondContact CA-OH 3.49Å; P21-Y365 HydrophobicContact CB-CE2 3.85Å; P21-Y365 HydrophobicContact CG-CE2 3.89Å; P21-Y365 VanDerWaalsContact N-OH 3.15Å
22I98.4Very high97.5Very high0 Ų017.1 Ų17.10%09%0.092CC..  trans-58.9150.8160.6-166.8158.5000109.9F19 H26 M27 F82 L103 T104 A107 T355F19-I22 HydrophobicContact CB-CB 4.19Å; F19-I22 HydrophobicContact CD1-CB 4.49Å; F19-I22 HydrophobicContact CD1-CD1 4.31Å; F19-I22 HydrophobicContact CD1-CG1 4.23Å; F19-I22 PolarHBondContact O-N 2.98Å; I22-H26 HydrophobicContact CD1-CB 4.39Å; I22-H26 HydrophobicContact CG1-CB 3.89Å; I22-M27 HydrophobicContact CD1-SD 3.94Å; I22-F82 HydrophobicContact CD1-CD2 4.14Å; I22-F82 HydrophobicContact CD1-CE2 4.06Å; I22-F82 HydrophobicContact CD1-CG 4.42Å; I22-F82 HydrophobicContact CD1-CZ 4.28Å; I22-L103 WeakPolarHBondContact CG2-O 3.31Å; I22-T104 HydrophobicContact CD1-CG2 3.59Å; I22-A107 HydrophobicContact CD1-CB 4.05Å; I22-A107 HydrophobicContact CG1-CB 4.42Å; I22-A107 HydrophobicContact CG2-CB 3.64Å; I22-T355 HydrophobicContact CG2-CG2 3.84Å
23T97.9Very high97.5Very high0 Ų017.1 Ų17.10%09%0.092CC..  trans-138.2165.6-177710000109.7M25 H26 M27 I337T23-M25 PolarHBondContact O-N 2.8Å; T23-M25 PolarHBondContact OG1-N 3.5Å; T23-H26 PolarHBondContact N-ND1 3.02Å; T23-H26 WeakPolarHBondContact O-CB 3.4Å; T23-H26 PolarHBondContact O-N 3.4Å; T23-H26 PolarHBondContact OG1-CE1 3Å; T23-H26 PolarHBondContact OG1-ND1 3.24Å; T23-M27 PolarHBondContact O-N 3.15Å; T23-I337 HydrophobicContact CG2-CG1 3.74Å
24V96.9Very high97.4Very high57 Ų5720.1 Ų20.135%0.34510%0.103SC..Hα-helixtrans-57.4-30.4174.8173.20000111.8H26 M27 R28 L350V24-H26 PolarHBondContact O-N 2.92Å; V24-M27 PolarHBondContact O-N 3.13Å; V24-R28 WeakPolarHBondContact O-CB 3.4Å; V24-R28 PolarHBondContact O-N 3.41Å; V24-L350 PolarHBondContact N-O 3.08Å
25M95.3Very high97.3Very high3 Ų323.5 Ų23.52%0.01512%0.121CC..Hα-helixtrans-62.4-41.6174.4171.342.4-179.600112.3T23 M27 R28 M29 I297 N330 L332T23-M25 PolarHBondContact O-N 2.8Å; T23-M25 PolarHBondContact OG1-N 3.5Å; M25-M27 VanDerWaalsContact C-N 3.3Å; M25-M27 PolarHBondContact O-N 3.46Å; M25-R28 PolarHBondContact O-N 2.67Å; M25-M29 HydrophobicContact CE-CG 3.29Å; M25-M29 HydrophobicContact CE-SD 3.58Å; M25-M29 VanDerWaalsContact CE-SD 3.58Å; M25-M29 WeakPolarHBondContact O-CG 3.12Å; M25-M29 PolarHBondContact O-N 3.01Å; M25-M29 HydrophobicContact SD-CG 3.68Å; M25-M29 HydrophobicContact SD-SD 4.49Å; M25-I297 HydrophobicContact CE-CG2 4.43Å; M25-N330 HydrophobicContact SD-CB 4.34Å; M25-L332 HydrophobicContact CB-CB 4.08Å; M25-L332 HydrophobicContact CB-CD2 4.36Å
26H97.5Very high97.1Very high32 Ų3226.8 Ų26.815%0.14814%0.135CC..Hα-helixtrans-60.8-41.3176.7-60.293.5000112F19 I22 T23 V24 M29 F82 S334F19-H26 HydrophobicContact CD1-CB 4.3Å; F19-H26 AromaticContact CD1-CD2 3.57Å; F19-H26 AromaticContact CD1-CG 3.87Å; F19-H26 HydrophobicContact CE1-CB 4.18Å; F19-H26 AromaticContact CE1-CD2 3.49Å; F19-H26 VanDerWaalsContact CE1-CD2 3.49Å; F19-H26 WeakPolarHBondContact CE1-CD2 3.38Å; F19-H26 AromaticContact CE1-CG 3.98Å; I22-H26 HydrophobicContact CD1-CB 4.39Å; I22-H26 HydrophobicContact CG1-CB 3.89Å; T23-H26 PolarHBondContact N-ND1 3.02Å; T23-H26 WeakPolarHBondContact O-CB 3.4Å; T23-H26 PolarHBondContact O-N 3.4Å; T23-H26 PolarHBondContact OG1-CE1 3Å; T23-H26 PolarHBondContact OG1-ND1 3.24Å; V24-H26 PolarHBondContact O-N 2.92Å; H26-M29 HydrophobicContact CB-CE 4.36Å; H26-M29 PolarHBondContact O-N 2.98Å; H26-F82 HydrophobicContact CB-CE1 4.23Å; H26-F82 HydrophobicContact CB-CZ 4.45Å; H26-S334 PolarHBondContact CE1-OG 3.27Å
27M97.1Very high96.9Very high14 Ų1426 Ų267%0.06913%0.129CC..Hα-helixtrans-65.4-45.3175.2-54.1-63.4-80.500110.9I22 T23 V24 M25 M29 M30 E31 F82 A107 A111 L115I22-M27 HydrophobicContact CD1-SD 3.94Å; T23-M27 PolarHBondContact O-N 3.15Å; V24-M27 PolarHBondContact O-N 3.13Å; M25-M27 VanDerWaalsContact C-N 3.3Å; M25-M27 PolarHBondContact O-N 3.46Å; M27-M29 VanDerWaalsContact C-N 3.3Å; M27-M29 PolarHBondContact O-N 3.23Å; M27-M30 WeakPolarHBondContact O-CB 3.32Å; M27-M30 PolarHBondContact O-N 3.31Å; M27-E31 PolarHBondContact O-N 2.81Å; M27-F82 HydrophobicContact SD-CE2 3.47Å; M27-F82 WeakPolarHBondContact SD-CE2 3.44Å; M27-F82 HydrophobicContact SD-CZ 3.8Å; M27-A107 HydrophobicContact SD-CB 4.35Å; M27-A111 HydrophobicContact CE-CB 4.04Å; M27-L115 HydrophobicContact CE-CD1 3.72Å; M27-L115 HydrophobicContact SD-CD1 4.16Å
28R96.5Very high96.7Very high88 Ų8827.7 Ų27.733%0.33213%0.131SC..Hα-helixtrans-59.4-37.9178.2179.556.8175.9164.6-1.3112.6V24 M25 M30 E31 L32V24-R28 WeakPolarHBondContact O-CB 3.4Å; V24-R28 PolarHBondContact O-N 3.41Å; M25-R28 PolarHBondContact O-N 2.67Å; R28-M30 VanDerWaalsContact C-N 3.26Å; R28-M30 PolarHBondContact O-N 3.23Å; R28-E31 PolarHBondContact O-N 3.05Å; R28-L32 HydrophobicContact CG-CD1 4.03Å; R28-L32 HydrophobicContact CG-CG 4.28Å; R28-L32 WeakPolarHBondContact O-CB 3.32Å; R28-L32 VanDerWaalsContact O-CG 3.32Å; R28-L32 WeakPolarHBondContact O-CG 3.48Å; R28-L32 PolarHBondContact O-N 3.43Å
29M96.5Very high96.3Very high15 Ų1531 Ų317%0.07415%0.147CC..Hα-helixtrans-58.9-39.1174.9-72.4-167.5-68.600112.1M25 H26 M27 A33 V265 I297M25-M29 HydrophobicContact CE-CG 3.29Å; M25-M29 HydrophobicContact CE-SD 3.58Å; M25-M29 VanDerWaalsContact CE-SD 3.58Å; M25-M29 WeakPolarHBondContact O-CG 3.12Å; M25-M29 PolarHBondContact O-N 3.01Å; M25-M29 HydrophobicContact SD-CG 3.68Å; M25-M29 HydrophobicContact SD-SD 4.49Å; H26-M29 HydrophobicContact CB-CE 4.36Å; H26-M29 PolarHBondContact O-N 2.98Å; M27-M29 VanDerWaalsContact C-N 3.3Å; M27-M29 PolarHBondContact O-N 3.23Å; M29-A33 VanDerWaalsContact O-CB 3.3Å; M29-A33 WeakPolarHBondContact O-CB 3.31Å; M29-A33 PolarHBondContact O-N 3.11Å; M29-V265 HydrophobicContact CB-CG1 4.34Å; M29-I297 HydrophobicContact CB-CG1 3.88Å; M29-I297 HydrophobicContact CG-CB 4.17Å; M29-I297 HydrophobicContact CG-CG1 3.85Å; M29-I297 HydrophobicContact CG-CG2 4.24Å; M29-I297 HydrophobicContact SD-CB 4.39Å; M29-I297 HydrophobicContact SD-CG1 4.3Å
30M98Very high95.5Very high0 Ų033.2 Ų33.20%016%0.159CC..Hα-helixtrans-68.9-43.6178.7-62.2-62-75.200111.5L13 M27 R28 A33 R34 F82 W114 L115 V265L13-M30 HydrophobicContact CB-CE 3.56Å; M27-M30 WeakPolarHBondContact O-CB 3.32Å; M27-M30 PolarHBondContact O-N 3.31Å; R28-M30 VanDerWaalsContact C-N 3.26Å; R28-M30 PolarHBondContact O-N 3.23Å; M30-A33 PolarHBondContact O-N 3.24Å; M30-R34 WeakPolarHBondContact O-CB 3.26Å; M30-R34 PolarHBondContact O-N 2.81Å; M30-F82 HydrophobicContact CG-CE1 3.65Å; M30-F82 HydrophobicContact CG-CE2 4.24Å; M30-F82 HydrophobicContact CG-CZ 3.38Å; M30-F82 HydrophobicContact SD-CE1 4.15Å; M30-F82 HydrophobicContact SD-CZ 4.4Å; M30-W114 HydrophobicContact CB-CH2 3.77Å; M30-W114 HydrophobicContact CB-CZ2 3.92Å; M30-W114 HydrophobicContact CE-CH2 4.36Å; M30-W114 HydrophobicContact CE-CZ3 4.48Å; M30-W114 WeakPolarHBondContact O-CH2 3.39Å; M30-L115 HydrophobicContact CB-CD1 4.07Å; M30-L115 HydrophobicContact CB-CD2 3.94Å; M30-L115 HydrophobicContact CE-CD2 3.71Å; M30-L115 HydrophobicContact CG-CD1 4.38Å; M30-L115 HydrophobicContact CG-CD2 4.09Å; M30-V265 HydrophobicContact SD-CB 3.96Å; M30-V265 HydrophobicContact SD-CG1 4.07Å; M30-V265 HydrophobicContact SD-CG2 4.09Å
31E97.4Very high94Very high60 Ų6034.2 Ų34.228%0.2816%0.163SC..Hα-helixtrans-59.6-48.4174.5-64.4-59.3147.700111.7M27 R28 A33 R34 D35 W114M27-E31 PolarHBondContact O-N 2.81Å; R28-E31 PolarHBondContact O-N 3.05Å; E31-A33 VanDerWaalsContact C-N 3.3Å; E31-A33 PolarHBondContact O-N 3.45Å; E31-R34 WeakPolarHBondContact O-CB 3.44Å; E31-R34 PolarHBondContact O-N 2.82Å; E31-R34 VanDerWaalsContact O-N 3.14Å; E31-D35 PolarHBondContact O-N 3.11Å; E31-W114 PolarHBondContact OE1-NE1 3.21Å
32L96.7Very high92Very high15 Ų1539.2 Ų39.28%0.07919%0.189CC..Hα-helixtrans-60-39.8177.3-75.7175.9000112.5R28 K36 I297 V324 D326R28-L32 HydrophobicContact CG-CD1 4.03Å; R28-L32 HydrophobicContact CG-CG 4.28Å; R28-L32 WeakPolarHBondContact O-CB 3.32Å; R28-L32 VanDerWaalsContact O-CG 3.32Å; R28-L32 WeakPolarHBondContact O-CG 3.48Å; R28-L32 PolarHBondContact O-N 3.43Å; L32-K36 WeakPolarHBondContact O-CB 3.34Å; L32-K36 PolarHBondContact O-N 2.82Å; L32-K36 VanDerWaalsContact O-N 3.11Å; L32-I297 HydrophobicContact CB-CD1 4.06Å; L32-I297 HydrophobicContact CD1-CG2 3.96Å; L32-V324 HydrophobicContact CB-CG1 3.99Å; L32-V324 HydrophobicContact CD2-CG1 4.46Å; L32-D326 HydrophobicContact CD1-CB 3.83Å
33A97.4Very high89.5Confident0 Ų042.1 Ų42.10%021%0.21CC..Hα-helixtrans-67.1-39.6176.300000111.9L13 M29 M30 E31 K36 I37 V265 I295 I297L13-A33 HydrophobicContact CD1-CB 3.79Å; M29-A33 VanDerWaalsContact O-CB 3.3Å; M29-A33 WeakPolarHBondContact O-CB 3.31Å; M29-A33 PolarHBondContact O-N 3.11Å; M30-A33 PolarHBondContact O-N 3.24Å; E31-A33 VanDerWaalsContact C-N 3.3Å; E31-A33 PolarHBondContact O-N 3.45Å; A33-K36 PolarHBondContact O-N 3.4Å; A33-I37 WeakPolarHBondContact O-CG1 3.43Å; A33-I37 PolarHBondContact O-N 3.12Å; A33-I37 VanDerWaalsContact O-N 3.13Å; A33-V265 HydrophobicContact CB-CB 4.47Å; A33-V265 HydrophobicContact CB-CG1 3.85Å; A33-V265 HydrophobicContact CB-CG2 3.72Å; A33-I295 HydrophobicContact CB-CB 4.28Å; A33-I295 HydrophobicContact CB-CD1 4Å; A33-I295 HydrophobicContact CB-CG2 3.71Å; A33-I297 HydrophobicContact CB-CD1 4.43Å
34R96.9Very high87.1Confident64 Ų6445.9 Ų45.924%0.24223%0.233CC..Hα-helixtrans-62.3-52.3175.7175.3171.1-175.9-168.8-1.4111.8L13 M30 E31 K36 I37 E38 V77 W114L13-R34 HydrophobicContact CD1-CB 4.23Å; M30-R34 WeakPolarHBondContact O-CB 3.26Å; M30-R34 PolarHBondContact O-N 2.81Å; E31-R34 WeakPolarHBondContact O-CB 3.44Å; E31-R34 PolarHBondContact O-N 2.82Å; E31-R34 VanDerWaalsContact O-N 3.14Å; R34-K36 PolarHBondContact O-N 3.07Å; R34-I37 PolarHBondContact O-N 3.3Å; R34-I37 VanDerWaalsContact O-N 3.08Å; R34-E38 HydrophobicContact CG-CG 4.48Å; R34-E38 IonicContact CZ-OE1 3.72Å; R34-E38 IonicContact NE-OE1 3.57Å; R34-E38 PolarHBondContact NE-OE1 3.37Å; R34-E38 IonicContact NE-OE2 2.94Å; R34-E38 IonicContact NH2-OE1 3.4Å; R34-E38 PolarHBondContact O-N 2.77Å; R34-V77 HydrophobicContact CB-CB 4.48Å; R34-V77 HydrophobicContact CB-CG1 4.44Å; R34-V77 HydrophobicContact CB-CG2 4.33Å; R34-V77 HydrophobicContact CG-CB 3.89Å; R34-V77 HydrophobicContact CG-CG1 4.18Å; R34-V77 HydrophobicContact CG-CG2 4.06Å; R34-W114 HydrophobicContact CB-CH2 3.9Å; R34-W114 HydrophobicContact CB-CZ2 4.06Å; R34-W114 VanDerWaalsContact NH1-CD1 3.27Å
35D95.8Very high84.7Confident73 Ų7348 Ų4839%0.3924%0.237SC..Hα-helixtrans-53.8-43.5176.6-74.3-17000111E31 I37 N39E31-D35 PolarHBondContact O-N 3.11Å; D35-I37 PolarHBondContact O-N 3.3Å; D35-N39 WeakPolarHBondContact O-CB 3.33Å; D35-N39 PolarHBondContact O-N 3.16Å; D35-N39 PolarHBondContact O-ND2 3.23Å
36K94.8Very high82.1Confident75 Ų7555 Ų5533%0.32627%0.27SS..Hα-helixtrans-59.7-49.2178.2-179.164.4171.8178.50111.6L32 A33 R34 L40 V324L32-K36 WeakPolarHBondContact O-CB 3.34Å; L32-K36 PolarHBondContact O-N 2.82Å; L32-K36 VanDerWaalsContact O-N 3.11Å; A33-K36 PolarHBondContact O-N 3.4Å; R34-K36 PolarHBondContact O-N 3.07Å; K36-L40 VanDerWaalsContact O-CG 3.31Å; K36-L40 WeakPolarHBondContact O-CG 3.1Å; K36-L40 PolarHBondContact O-N 3.39Å; K36-V324 HydrophobicContact CB-CG2 3.59Å; K36-V324 HydrophobicContact CD-CG2 4.21Å; K36-V324 HydrophobicContact CG-CG2 3.66Å
37I94Very high79.4Confident1 Ų157.5 Ų57.51%0.00529%0.291CS..Hα-helixtrans-66.5-43.3-175.7-68.8-62.3000111.7V11 A33 R34 D35 L40 R75 V77 K263 I295V11-I37 HydrophobicContact CB-CG2 4.31Å; V11-I37 HydrophobicContact CG1-CG2 4.42Å; V11-I37 HydrophobicContact CG2-CG2 3.99Å; A33-I37 WeakPolarHBondContact O-CG1 3.43Å; A33-I37 PolarHBondContact O-N 3.12Å; A33-I37 VanDerWaalsContact O-N 3.13Å; R34-I37 PolarHBondContact O-N 3.3Å; R34-I37 VanDerWaalsContact O-N 3.08Å; D35-I37 PolarHBondContact O-N 3.3Å; I37-L40 HydrophobicContact CD1-CD1 4.22Å; I37-R75 HydrophobicContact CG2-CB 3.65Å; I37-V77 HydrophobicContact CB-CG2 3.91Å; I37-V77 HydrophobicContact CG2-CG2 3.8Å; I37-K263 HydrophobicContact CD1-CD 3.83Å; I37-I295 HydrophobicContact CD1-CD1 3.71Å; I37-I295 HydrophobicContact CD1-CG1 4.35Å; I37-I295 HydrophobicContact CG1-CD1 3.5Å
38E91.5Very high76.9Confident60 Ų6064.9 Ų64.928%0.2833%0.325SS..Hα-helixtrans-72.3-32.5-178-65.8-178.7-177.200111.8R34 V77R34-E38 HydrophobicContact CG-CG 4.48Å; R34-E38 IonicContact CZ-OE1 3.72Å; R34-E38 IonicContact NE-OE1 3.57Å; R34-E38 PolarHBondContact NE-OE1 3.37Å; R34-E38 IonicContact NE-OE2 2.94Å; R34-E38 IonicContact NH2-OE1 3.4Å; R34-E38 PolarHBondContact O-N 2.77Å; E38-V77 HydrophobicContact CG-CG2 4.35Å; E38-V77 PolarHBondContact OE1-N 3.28Å
39N89.4Confident74.3Confident87 Ų8769 Ų6947%0.46535%0.348SS..Hα-helixtrans-79.6-16.8178-70.6-36.3000114.8D35 H41 L42D35-N39 WeakPolarHBondContact O-CB 3.33Å; D35-N39 PolarHBondContact O-N 3.16Å; D35-N39 PolarHBondContact O-ND2 3.23Å; N39-H41 PolarHBondContact O-N 3.4Å; N39-L42 WeakPolarHBondContact O-CB 3.29Å; N39-L42 PolarHBondContact O-N 2.73Å
40L81.3Confident71.7Confident50 Ų5074.1 Ų74.126%0.26238%0.38SS..Hα-helixtrans-57.8-22.6177.2-82.1169.7000113K36 I37 S43K36-L40 VanDerWaalsContact O-CG 3.31Å; K36-L40 WeakPolarHBondContact O-CG 3.1Å; K36-L40 PolarHBondContact O-N 3.39Å; I37-L40 HydrophobicContact CD1-CD1 4.22Å; L40-S43 PolarHBondContact O-OG 3.19Å; L40-S43 VanDerWaalsContact O-OG 3.08Å
41H67.3Low68.8Low25 Ų2582 Ų8212%0.11642%0.421CS..Hα-helixtrans-74.3-22.8176.6-174.579.8000113.8N39 T44 K45 D72 H73N39-H41 PolarHBondContact O-N 3.4Å; H41-T44 PolarHBondContact O-OG1 3Å; H41-K45 PolarHBondContact NE2-NZ 3.4Å; H41-D72 IonicContact CE1-OD1 3.38Å; H41-D72 PolarHBondContact CE1-OD1 3.23Å; H41-D72 IonicContact CE1-OD2 3.21Å; H41-D72 PolarHBondContact CE1-OD2 3.16Å; H41-D72 IonicContact ND1-OD1 3.03Å; H41-D72 IonicContact NE2-OD1 3.22Å; H41-D72 PolarHBondContact NE2-OD1 2.87Å; H41-D72 IonicContact NE2-OD2 2.89Å; H41-D72 PolarHBondContact NE2-OD2 3.39Å; H41-H73 PolarHBondContact ND1-O 3.39Å
42L54.8Low65.8Low104 Ų10485 Ų8555%0.54545%0.449SS..Hα-helixtrans-78.1-37.3-179.5-68.4165.4000111.5N39 T44 K45N39-L42 WeakPolarHBondContact O-CB 3.29Å; N39-L42 PolarHBondContact O-N 2.73Å; L42-T44 VanDerWaalsContact C-N 3.3Å; L42-T44 PolarHBondContact O-N 2.9Å; L42-K45 PolarHBondContact O-N 3.38Å
43S46.8Very low62.7Low61 Ų6187.5 Ų87.543%0.42748%0.478SS..Hα-helixtrans-66.9-26.5-175.4500000114.5L40 S47L40-S43 PolarHBondContact O-OG 3.19Å; L40-S43 VanDerWaalsContact O-OG 3.08Å; S43-S47 PolarHBondContact O-OG 3.22Å
44T47.8Very low59.8Low80 Ų8096.3 Ų96.349%0.49152%0.519SS..Hα-helixtrans-75.1-26.2177.248.60000112.5H41 L42 H48H41-T44 PolarHBondContact O-OG1 3Å; L42-T44 VanDerWaalsContact C-N 3.3Å; L42-T44 PolarHBondContact O-N 2.9Å; T44-H48 PolarHBondContact O-CD2 2.98Å; T44-H48 VanDerWaalsContact O-CD2 3.3Å
45K45.6Very low56.7Low101 Ų101100.2 Ų100.244%0.43955%0.545SS..Hα-helixtrans-80.4-31.2-179-72-179.9174.8166.40113.3H41 L42 D72H41-K45 PolarHBondContact NE2-NZ 3.4Å; L42-K45 PolarHBondContact O-N 3.38Å; K45-D72 WeakPolarHBondContact CE-OD1 3.37Å; K45-D72 IonicContact NZ-OD1 2.73Å; K45-D72 PolarHBondContact NZ-OD1 3.47Å; K45-D72 IonicContact NZ-OD2 3.11Å; K45-D72 PolarHBondContact NZ-OD2 2.92Å
46E41.8Very low53.8Low149 Ų149104.4 Ų104.470%0.69657%0.567SS**Hα-helixtrans-76.7-27178.5-66.7-174.9160.900113.1H48 H49E46-H48 VanDerWaalsContact C-N 3.26Å; E46-H48 PolarHBondContact O-N 3.3Å; E46-H49 PolarHBondContact O-N 2.86Å
47S39.3Very low50.8Low85 Ų85109.9 Ų109.959%0.59459%0.594SS**THydrogen-bonded Turntrans-73.2-15.4-177.3-57.60000113.7S43S43-S47 PolarHBondContact O-OG 3.22Å
48H45.2Very low47.7Very low170 Ų170115.4 Ų115.479%0.78763%0.631SS**THydrogen-bonded Turntrans-92-5.6-179.6-78.4-65.3000114.8T44 E46T44-H48 PolarHBondContact O-CD2 2.98Å; T44-H48 VanDerWaalsContact O-CD2 3.3Å; E46-H48 VanDerWaalsContact C-N 3.26Å; E46-H48 PolarHBondContact O-N 3.3Å
49H42.5Very low44.9Very low173 Ų173118.7 Ų118.780%0.80166%0.656SS**SBendtrans-112.83.2-173.8-117.8-71.9000115.8E46E46-H49 PolarHBondContact O-N 2.86Å
50V41.2Very low41.9Very low123 Ų123123.8 Ų123.875%0.74568%0.677SS**SBendtrans-122.30.8-171.2-175.20000114.3
51L38.3Very low39.6Very low166 Ų166131.5 Ų131.587%0.86971%0.708SS**  trans-128.768-179.9-66.7169.8000112
52S33Very low37.7Very low124 Ų124138.3 Ų138.387%0.86774%0.74SS**  trans-135.470.5161.4670000109.1
53G31.3Very low36.6Very low67 Ų67144.3 Ų144.369%0.69176%0.757SS**  trans-148.6116.7172.100000108.4
54E36.4Very low35.6Very low185 Ų185149.1 Ų149.186%0.86478%0.778SS**  trans82.397.5163.3-53.7-174.5159.700118.6
55N31.6Very low34.9Very low145 Ų145152 Ų15278%0.77579%0.79SS**  36.6106.6125.8-60.1-21.3000118
56N35.8Very low34.3Very low161 Ų161153.4 Ų153.486%0.86180%0.802SS**  -174.1142.7115.6-91.3-29.4000113.3
57Q31.9Very low34.1Very low191 Ų191154.8 Ų154.889%0.89381%0.809SS**  trans-59.4130.1-179.4-71154.5-18.800113.1
58C28.9Very low33.9Very low116 Ų116158.3 Ų158.378%0.78482%0.82SS**  trans-160.8106.9144.6-1540000112.3
59T32.4Very low33.8Very low130 Ų130153.6 Ų153.680%0.79880%0.803SS**  trans34.9115.5150.8590000121
60Q27.6Very low34Very low194 Ų194149.4 Ų149.491%0.90779%0.786SS**  trans-60.1136.4163-65.3171.8-16.400112.3
61K32.3Very low34.6Very low211 Ų211147.3 Ų147.392%0.91777%0.768SS**  trans-131.7125.9146.4-95.7-174.8176.8179.40108.2
62E27.8Very low36.2Very low168 Ų168141.4 Ų141.479%0.78574%0.738SS**  trans-60.9143.6-177-61.6161.2142.800112.9
63Y30.6Very low38.4Very low231 Ų231139 Ų13991%0.90671%0.713SS**  trans-153.3105.1133.3-100.1-81.3000106.9
64N27.3Very low41.1Very low162 Ų162140.6 Ų140.687%0.86670%0.698SS**  trans-86.4109166.6-77.9-31.6000107.2
65D32.1Very low43.8Very low140 Ų140135.9 Ų135.975%0.74967%0.672SS**  trans-152.5133157.3-148.53000110.9
66D34.1Very low46.7Very low130 Ų130129.6 Ų129.670%0.69564%0.639SS**SBendtrans57.7122.1169.8-73.1-27.6000122.4L68D66-L68 PolarHBondContact O-N 2.81Å; D66-L68 VanDerWaalsContact O-N 3.07Å
67H37.1Very low49.5Very low179 Ų179122.3 Ų122.383%0.82960%0.6SS**  trans-15.598.1161.3-67.6-78.6000115.6V69H67-V69 VanDerWaalsContact C-N 3.26Å; H67-V69 PolarHBondContact O-N 2.83Å
68L35.7Very low52.5Low158 Ų158113.7 Ų113.783%0.82756%0.56SS**  trans-70.378.8174.1-152.290.8000110.5D66 N70D66-L68 PolarHBondContact O-N 2.81Å; D66-L68 VanDerWaalsContact O-N 3.07Å; L68-N70 PolarHBondContact O-N 2.65Å; L68-N70 VanDerWaalsContact O-N 3.11Å
69V42.2Very low55.8Low71 Ų71108.1 Ų108.143%0.4352%0.523SS..  trans-64.8111.3163.4-177.70000106.3H67 H71H67-V69 VanDerWaalsContact C-N 3.26Å; H67-V69 PolarHBondContact O-N 2.83Å; V69-H71 WeakPolarHBondContact CG1-CE1 3.31Å; V69-H71 PolarHBondContact O-CD2 3.28Å; V69-H71 VanDerWaalsContact O-CD2 3.24Å; V69-H71 PolarHBondContact O-N 3.27Å
70N45.9Very low58.9Low85 Ų85102 Ų10246%0.45549%0.485SS..  trans-74.381.6-175.2-145-5.1000108.5L68 D72L68-N70 PolarHBondContact O-N 2.65Å; L68-N70 VanDerWaalsContact O-N 3.11Å; N70-D72 PolarHBondContact O-N 3.13Å
71H55.3Low62.3Low80 Ų8092.9 Ų92.937%0.3744%0.443SS..  trans-75121-178.4-68.9-65.2000110.3Q5 V69 H73Q5-H71 WeakPolarHBondContact O-CA 3.41Å; Q5-H71 PolarHBondContact O-ND1 3.27Å; Q5-H71 PolarHBondContact OE1-CE1 3.2Å; V69-H71 WeakPolarHBondContact CG1-CE1 3.31Å; V69-H71 PolarHBondContact O-CD2 3.28Å; V69-H71 VanDerWaalsContact O-CD2 3.24Å; V69-H71 PolarHBondContact O-N 3.27Å; H71-H73 PolarHBondContact O-N 3.39Å
72D71.6Confident65.4Low41 Ų4182.8 Ų82.822%0.21940%0.399CS..EExtended strand (participates in β ladder)trans-77.9106.1168.1-158.625.4000106.9Q5 L6 R7 H41 K45 N70Q5-D72 PolarHBondContact O-N 2.59Å; L6-D72 HydrophobicContact CD1-CB 3.89Å; L6-D72 WeakPolarHBondContact CD1-O 3.39Å; R7-D72 PolarHBondContact N-O 3.17Å; H41-D72 IonicContact CE1-OD1 3.38Å; H41-D72 PolarHBondContact CE1-OD1 3.23Å; H41-D72 IonicContact CE1-OD2 3.21Å; H41-D72 PolarHBondContact CE1-OD2 3.16Å; H41-D72 IonicContact ND1-OD1 3.03Å; H41-D72 IonicContact NE2-OD1 3.22Å; H41-D72 PolarHBondContact NE2-OD1 2.87Å; H41-D72 IonicContact NE2-OD2 2.89Å; H41-D72 PolarHBondContact NE2-OD2 3.39Å; K45-D72 WeakPolarHBondContact CE-OD1 3.37Å; K45-D72 IonicContact NZ-OD1 2.73Å; K45-D72 PolarHBondContact NZ-OD1 3.47Å; K45-D72 IonicContact NZ-OD2 3.11Å; K45-D72 PolarHBondContact NZ-OD2 2.92Å; N70-D72 PolarHBondContact O-N 3.13Å
73H79.4Confident68.8Low75 Ų7574.9 Ų74.935%0.34736%0.362SS..EExtended strand (participates in β ladder)trans-91.2114.6-179.4-170.478.6000110.2R7 E9 H41 H71R7-H73 WeakPolarHBondContact O-CA 3.46Å; E9-H73 IonicContact OE2-CD2 3.47Å; E9-H73 IonicContact OE2-CE1 3.94Å; E9-H73 IonicContact OE2-NE2 2.92Å; E9-H73 PolarHBondContact OE2-NE2 3.02Å; H41-H73 PolarHBondContact ND1-O 3.39Å; H71-H73 PolarHBondContact O-N 3.39Å
74R87.6Confident72Confident100 Ų10063.9 Ų63.938%0.37732%0.319SS..EExtended strand (participates in β ladder)trans-117.5124.2-178.9-173.9176.7178.6179.6-0.4110.3L6 R7 I8 E9 V76L6-R74 HydrophobicContact CD1-CB 4.05Å; R7-R74 PolarHBondContact O-N 3.41Å; I8-R74 CarbonylContact C-O 3.56Å; I8-R74 VanDerWaalsContact CA-O 3.32Å; I8-R74 WeakPolarHBondContact CA-O 3.32Å; E9-R74 PolarHBondContact N-O 2.81Å; R74-V76 HydrophobicContact CG-CG2 4.16Å
75R91.7Very high75.4Confident85 Ų8556.6 Ų56.632%0.32128%0.28SS..EExtended strand (participates in β ladder)trans-89.6137.4168.8-68.9-177.5-175.7130.62.3109.7E9 V11 I37E9-R75 HydrophobicContact CB-CG 4.16Å; E9-R75 HydrophobicContact CG-CG 4.49Å; E9-R75 WeakPolarHBondContact O-CA 3.25Å; E9-R75 VanDerWaalsContact OE2-CG 3.32Å; E9-R75 WeakPolarHBondContact OE2-CG 3.43Å; E9-R75 IonicContact OE2-CZ 2.7Å; E9-R75 IonicContact OE2-NE 3.56Å; E9-R75 PolarHBondContact OE2-NE 2.81Å; E9-R75 IonicContact OE2-NH2 2.77Å; V11-R75 HydrophobicContact CG2-CB 3.88Å; V11-R75 HydrophobicContact CG2-CG 4.15Å; I37-R75 HydrophobicContact CG2-CB 3.65Å
76V92.9Very high78.4Confident14 Ų1450.1 Ų50.19%0.08525%0.246CC..EExtended strand (participates in β ladder)trans-130.4124179.2178.40000108.1I8 E9 V11 R74 V78 L206 L209I8-V76 HydrophobicContact CG2-CB 4.4Å; I8-V76 HydrophobicContact CG2-CG2 3.9Å; E9-V76 PolarHBondContact O-N 2.86Å; V11-V76 PolarHBondContact N-O 2.96Å; R74-V76 HydrophobicContact CG-CG2 4.16Å; V76-V78 HydrophobicContact CG1-CG1 4.31Å; V76-V78 PolarHBondContact O-N 3.1Å; V76-L206 HydrophobicContact CB-CD2 4.47Å; V76-L206 HydrophobicContact CG1-CD2 4.36Å; V76-L209 HydrophobicContact CB-CD1 4.45Å; V76-L209 HydrophobicContact CG1-CD1 3.76Å; V76-L209 HydrophobicContact CG2-CD1 4.01Å
77V95.7Very high81.2Confident7 Ų747.6 Ų47.64%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-77.9116.2174178.30000108.5V11 L13 R34 I37 E38 W114V11-V77 HydrophobicContact CB-CG2 4.37Å; V11-V77 VanDerWaalsContact O-CA 3.31Å; V11-V77 WeakPolarHBondContact O-CA 3.48Å; L13-V77 HydrophobicContact CD1-CG1 3.98Å; L13-V77 HydrophobicContact CD1-CG2 4.27Å; L13-V77 HydrophobicContact CG-CG1 3.97Å; L13-V77 HydrophobicContact CG-CG2 4.39Å; R34-V77 HydrophobicContact CB-CB 4.48Å; R34-V77 HydrophobicContact CB-CG1 4.44Å; R34-V77 HydrophobicContact CB-CG2 4.33Å; R34-V77 HydrophobicContact CG-CB 3.89Å; R34-V77 HydrophobicContact CG-CG1 4.18Å; R34-V77 HydrophobicContact CG-CG2 4.06Å; I37-V77 HydrophobicContact CB-CG2 3.91Å; I37-V77 HydrophobicContact CG2-CG2 3.8Å; E38-V77 HydrophobicContact CG-CG2 4.35Å; E38-V77 PolarHBondContact OE1-N 3.28Å; V77-W114 HydrophobicContact CG1-CE3 3.95Å; V77-W114 HydrophobicContact CG1-CH2 4.38Å; V77-W114 HydrophobicContact CG1-CZ3 3.59Å
78V95Very high83.8Confident10 Ų1042.9 Ų42.96%0.06121%0.213CC..EExtended strand (participates in β ladder)trans-99.8-16.4-176.2-69.80000112.9P10 V11 F12 V76 C202 L206P10-V78 HydrophobicContact CB-CG1 4.04Å; P10-V78 HydrophobicContact CB-CG2 4.01Å; V11-V78 WeakPolarHBondContact O-CG2 3.27Å; V11-V78 PolarHBondContact O-N 3.39Å; F12-V78 HydrophobicContact CD2-CG2 3.45Å; F12-V78 VanDerWaalsContact CD2-CG2 3.45Å; F12-V78 HydrophobicContact CE2-CB 4.37Å; F12-V78 HydrophobicContact CE2-CG2 3.19Å; F12-V78 HydrophobicContact CG-CG2 4.27Å; F12-V78 HydrophobicContact CZ-CG2 3.83Å; V76-V78 HydrophobicContact CG1-CG1 4.31Å; V76-V78 PolarHBondContact O-N 3.1Å; V78-C202 HydrophobicContact CB-CB 4.46Å; V78-C202 VanDerWaalsContact O-CB 3.25Å; V78-C202 WeakPolarHBondContact O-CB 3.46Å; V78-C202 PolarHBondContact O-SG 3.3Å; V78-C202 VanDerWaalsContact O-SG 3.36Å; V78-L206 HydrophobicContact CG1-CD1 4.08Å; V78-L206 HydrophobicContact CG1-CD2 3.54Å; V78-L206 HydrophobicContact CG1-CG 3.76Å
79G97.1Very high86.4Confident0 Ų039.9 Ų39.90%019%0.191CC..EExtended strand (participates in β ladder)trans-176.1159.4177.400000112.4F12 L13 W114F12-G79 WeakPolarHBondContact CA-O 3.44Å; L13-G79 PolarHBondContact N-O 3.05Å; G79-W114 WeakPolarHBondContact CA-O 3.45Å
80G98.2Very high88.5Confident0 Ų044.5 Ų44.50%021%0.208CC..EExtended strand (participates in β ladder)trans-130.8141.6172.700000111.8L13 W114 L115 A116 W198L13-G80 CarbonylContact O-C 3.54Å; L13-G80 VanDerWaalsContact O-CA 3.23Å; L13-G80 WeakPolarHBondContact O-CA 3.46Å; G80-W114 PolarHBondContact N-O 3.2Å; G80-L115 CarbonylContact O-C 3.56Å; G80-L115 WeakPolarHBondContact O-CA 3.4Å; G80-A116 PolarHBondContact O-N 2.91Å; G80-W198 WeakPolarHBondContact O-CH2 3.49Å
81I98.6Very high90.7Very high3 Ų345 Ų452%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-123.2127.1-176.4-61175.1000109F12 L13 L14 S15 A116 I137 A194 W198 L199F12-I81 HydrophobicContact CD1-CD1 4.37Å; L13-I81 PolarHBondContact O-N 3.18Å; L14-I81 WeakPolarHBondContact CA-O 3.36Å; L14-I81 HydrophobicContact CD1-CB 4Å; L14-I81 HydrophobicContact CD1-CG2 3.9Å; S15-I81 PolarHBondContact N-O 2.81Å; I81-A116 CarbonylContact C-O 3.58Å; I81-A116 WeakPolarHBondContact CA-O 3.26Å; I81-I137 HydrophobicContact CD1-CD1 4.26Å; I81-I137 HydrophobicContact CD1-CG2 4.01Å; I81-A194 HydrophobicContact CD1-CB 4.21Å; I81-A194 HydrophobicContact CG1-CB 4.22Å; I81-A194 HydrophobicContact CG2-CB 4.38Å; I81-W198 HydrophobicContact CD1-CZ3 4.27Å; I81-W198 HydrophobicContact CG1-CH2 4.22Å; I81-W198 HydrophobicContact CG1-CZ3 3.92Å; I81-L199 HydrophobicContact CD1-CD2 4.23Å
82F98.7Very high92.4Very high0 Ų050.8 Ų50.80%023%0.23CC..EExtended strand (participates in β ladder)trans-89.5131.9160.7-68.2-67.9000109.9S15 F19 I22 H26 M27 M30 P84 T104 L115 A116 V117 S118S15-F82 WeakPolarHBondContact O-CA 3.42Å; F19-F82 HydrophobicContact CD1-CD1 4.41Å; F19-F82 AromaticContact CE1-CD1 3.53Å; F19-F82 HydrophobicContact CE1-CD1 3.53Å; F19-F82 AromaticContact CE1-CE1 3.93Å; F19-F82 HydrophobicContact CE1-CE1 3.93Å; F19-F82 HydrophobicContact CE1-CG 4.41Å; F19-F82 HydrophobicContact CE2-CB 4.23Å; F19-F82 HydrophobicContact CE2-CD1 4.26Å; F19-F82 HydrophobicContact CZ-CB 4.25Å; F19-F82 AromaticContact CZ-CD1 3.46Å; F19-F82 HydrophobicContact CZ-CD1 3.46Å; F19-F82 VanDerWaalsContact CZ-CD1 3.46Å; F19-F82 HydrophobicContact CZ-CE1 4.24Å; F19-F82 HydrophobicContact CZ-CG 4.26Å; I22-F82 HydrophobicContact CD1-CD2 4.14Å; I22-F82 HydrophobicContact CD1-CE2 4.06Å; I22-F82 HydrophobicContact CD1-CG 4.42Å; I22-F82 HydrophobicContact CD1-CZ 4.28Å; H26-F82 HydrophobicContact CB-CE1 4.23Å; H26-F82 HydrophobicContact CB-CZ 4.45Å; M27-F82 HydrophobicContact SD-CE2 3.47Å; M27-F82 WeakPolarHBondContact SD-CE2 3.44Å; M27-F82 HydrophobicContact SD-CZ 3.8Å; M30-F82 HydrophobicContact CG-CE1 3.65Å; M30-F82 HydrophobicContact CG-CE2 4.24Å; M30-F82 HydrophobicContact CG-CZ 3.38Å; M30-F82 HydrophobicContact SD-CE1 4.15Å; M30-F82 HydrophobicContact SD-CZ 4.4Å; F82-P84 WeakPolarHBondContact O-CD 3.44Å; F82-T104 HydrophobicContact CB-CG2 3.66Å; F82-T104 HydrophobicContact CD2-CG2 4.07Å; F82-T104 HydrophobicContact CG-CG2 4.06Å; F82-L115 HydrophobicContact CE2-CB 4.46Å; F82-L115 HydrophobicContact CE2-CD1 3.96Å; F82-L115 HydrophobicContact CZ-CD1 4.4Å; F82-A116 PolarHBondContact N-O 3.29Å; F82-V117 WeakPolarHBondContact O-CA 3.49Å; F82-S118 PolarHBondContact O-N 2.92Å
83S98.4Very high93.4Very high1 Ų151.3 Ų51.31%0.00725%0.246CC..EExtended strand (participates in β ladder)trans-115.796.2172.7-173.10000109.9S15 C16 G17 E121S15-S83 PolarHBondContact O-N 3.43Å; C16-S83 WeakPolarHBondContact CA-O 3.2Å; G17-S83 PolarHBondContact N-O 2.86Å; G17-S83 VanDerWaalsContact N-O 3.17Å; S83-E121 WeakPolarHBondContact OG-CB 3.41Å; S83-E121 PolarHBondContact OG-OE2 3.08Å
84P98.2Very high94.2Very high0 Ų049.3 Ų49.30%024%0.238CC..EExtended strand (participates in β ladder)trans-61.7136.1171.9-22.734.5000111.8G17 F19 F82 V101 V117 S118 C122G17-P84 CarbonylContact O-C 3.57Å; G17-P84 WeakPolarHBondContact O-CA 3.33Å; F19-P84 HydrophobicContact CD2-CB 4.1Å; F19-P84 HydrophobicContact CD2-CG 3.97Å; F82-P84 WeakPolarHBondContact O-CD 3.44Å; P84-V101 HydrophobicContact CB-CG2 4.27Å; P84-V101 HydrophobicContact CG-CG2 4.08Å; P84-V117 HydrophobicContact CG-CG2 3.76Å; P84-S118 WeakPolarHBondContact CD-O 3.47Å; P84-C122 PolarHBondContact O-SG 3Å
85V97.2Very high94.6Very high10 Ų1046.1 Ų46.16%0.06123%0.228CC..PPolyproline II helixtrans-64.5148.7-178.775.50000111.9G17 Y89 L94 R100 E121 C122G17-V85 PolarHBondContact O-N 3.44Å; V85-Y89 HydrophobicContact CG1-CD1 4.1Å; V85-Y89 HydrophobicContact CG1-CG 4.42Å; V85-Y89 HydrophobicContact CG2-CD1 4.19Å; V85-Y89 HydrophobicContact CG2-CD2 4.35Å; V85-Y89 HydrophobicContact CG2-CG 3.81Å; V85-L94 HydrophobicContact CG1-CD2 4.18Å; V85-R100 VanDerWaalsContact O-CZ 3.25Å; V85-R100 PolarHBondContact O-NH1 2.79Å; V85-R100 PolarHBondContact O-NH2 3.33Å; V85-E121 VanDerWaalsContact CA-OE1 3.31Å; V85-E121 WeakPolarHBondContact CA-OE1 3.41Å; V85-E121 WeakPolarHBondContact CG2-OE1 3.3Å; V85-C122 PolarHBondContact O-SG 3.46Å; V85-C122 VanDerWaalsContact O-SG 3.39Å
86S94.9Very high94.8Very high3 Ų345.1 Ų45.12%0.02123%0.232CC..PPolyproline II helixtrans-59.3153.9171.9179.10000112.9L88 Y89S86-L88 PolarHBondContact O-N 3.48Å; S86-L88 PolarHBondContact OG-N 2.84Å; S86-Y89 WeakPolarHBondContact O-CB 3.08Å; S86-Y89 PolarHBondContact O-N 3.49Å
87N93.3Very high95Very high77 Ų7744.7 Ų44.741%0.41223%0.23SC..G310 helixtrans-59-27.6171.9-68.9-29.4000112.4Y89 E90 A97 R100N87-Y89 PolarHBondContact O-N 3.23Å; N87-Y89 VanDerWaalsContact O-N 3.12Å; N87-E90 PolarHBondContact O-N 2.99Å; N87-E90 VanDerWaalsContact O-N 3.12Å; N87-A97 WeakPolarHBondContact OD1-CA 3.31Å; N87-A97 WeakPolarHBondContact OD1-CB 3.21Å; N87-A97 PolarHBondContact OD1-N 3.18Å; N87-R100 PolarHBondContact OD1-NH2 3.02Å
88L92.5Very high95Very high81 Ų8148.4 Ų48.442%0.42426%0.256SS..G310 helixtrans-71.6-0.5-179-59173.4000113.2S86 S125 W127S86-L88 PolarHBondContact O-N 3.48Å; S86-L88 PolarHBondContact OG-N 2.84Å; L88-S125 VanDerWaalsContact CD1-C 3.43Å; L88-S125 WeakPolarHBondContact CD1-O 3.07Å; L88-W127 HydrophobicContact CB-CB 4Å
89Y89.5Confident95.1Very high95 Ų9549.7 Ų49.737%0.37326%0.263SS..G310 helixtrans-71.1-17.5166.9-174.1-124.2000112.9V85 S86 N87 K91 W127V85-Y89 HydrophobicContact CG1-CD1 4.1Å; V85-Y89 HydrophobicContact CG1-CG 4.42Å; V85-Y89 HydrophobicContact CG2-CD1 4.19Å; V85-Y89 HydrophobicContact CG2-CD2 4.35Å; V85-Y89 HydrophobicContact CG2-CG 3.81Å; S86-Y89 WeakPolarHBondContact O-CB 3.08Å; S86-Y89 PolarHBondContact O-N 3.49Å; N87-Y89 PolarHBondContact O-N 3.23Å; N87-Y89 VanDerWaalsContact O-N 3.12Å; Y89-K91 HydrophobicContact CD1-CB 3.6Å; Y89-K91 HydrophobicContact CD1-CD 4.42Å; Y89-K91 HydrophobicContact CE1-CB 3.75Å; Y89-K91 HydrophobicContact CE1-CD 4.01Å; Y89-K91 HydrophobicContact CE1-CG 4.27Å; Y89-K91 PolarHBondContact O-N 3.13Å; Y89-W127 AromaticContact CD2-CD1 3.77Å; Y89-W127 AromaticContact CD2-CE2 3.86Å; Y89-W127 HydrophobicContact CD2-CG 4.46Å; Y89-W127 HydrophobicContact CD2-CZ2 4.41Å; Y89-W127 AromaticContact CD2-NE1 3.35Å
90E87.6Confident95.1Very high168 Ų16849.7 Ų49.779%0.78526%0.263SS*.  trans56.122.5172.6-60.7-175.4165.200115.5N87 K92N87-E90 PolarHBondContact O-N 2.99Å; N87-E90 VanDerWaalsContact O-N 3.12Å; E90-K92 PolarHBondContact O-N 2.72Å
91K90.4Very high95.1Very high95 Ų9550.4 Ų50.441%0.41327%0.267SS..  trans-62129.7175.7-175.6-178.4-167.11590111S18 Y89 G93 L94S18-K91 WeakPolarHBondContact OG-CD 3.48Å; S18-K91 PolarHBondContact OG-NZ 2.74Å; Y89-K91 HydrophobicContact CD1-CB 3.6Å; Y89-K91 HydrophobicContact CD1-CD 4.42Å; Y89-K91 HydrophobicContact CE1-CB 3.75Å; Y89-K91 HydrophobicContact CE1-CD 4.01Å; Y89-K91 HydrophobicContact CE1-CG 4.27Å; Y89-K91 PolarHBondContact O-N 3.13Å; K91-G93 PolarHBondContact O-N 3.43Å; K91-L94 HydrophobicContact CB-CB 4.31Å; K91-L94 HydrophobicContact CB-CD2 4.47Å; K91-L94 WeakPolarHBondContact O-CB 3.42Å; K91-L94 PolarHBondContact O-N 3.49Å; K91-L94 VanDerWaalsContact O-N 3.11Å
92K92.1Very high95Very high201 Ų20152.3 Ų52.387%0.87428%0.276SS*.THydrogen-bonded Turntrans-53.9126.1176.3-172.8176.1179.9177.60111.7E90E90-K92 PolarHBondContact O-N 2.72Å
93G93.1Very high95Very high53 Ų5352.3 Ų52.355%0.54628%0.276SS..THydrogen-bonded Turntrans77.814.217800000115.1N20 K91 L95N20-G93 PolarHBondContact ND2-O 3.37Å; K91-G93 PolarHBondContact O-N 3.43Å; G93-L95 PolarHBondContact O-N 2.96Å
94L95.7Very high95Very high33 Ų3352.3 Ų52.317%0.17328%0.276CS..PPolyproline II helixtrans-70.5122.9175.2-167.466.9000110.6N20 V85 K91N20-L94 HydrophobicContact CB-CD1 3.97Å; N20-L94 WeakPolarHBondContact ND2-CA 3.05Å; V85-L94 HydrophobicContact CG1-CD2 4.18Å; K91-L94 HydrophobicContact CB-CB 4.31Å; K91-L94 HydrophobicContact CB-CD2 4.47Å; K91-L94 WeakPolarHBondContact O-CB 3.42Å; K91-L94 PolarHBondContact O-N 3.49Å; K91-L94 VanDerWaalsContact O-N 3.11Å
95L96.2Very high95Very high33 Ų3353.3 Ų53.317%0.17328%0.28CS..PPolyproline II helixtrans-68.1159.3169.8-71.2-171.5000111.2N20 G93 A97 I99 R100 L364 Y365N20-L95 WeakPolarHBondContact OD1-CB 3.4Å; N20-L95 WeakPolarHBondContact OD1-CG 3.49Å; N20-L95 PolarHBondContact OD1-N 3.24Å; G93-L95 PolarHBondContact O-N 2.96Å; L95-A97 PolarHBondContact O-N 3.28Å; L95-I99 HydrophobicContact CD1-CG2 3.96Å; L95-R100 HydrophobicContact CB-CG 4.08Å; L95-R100 WeakPolarHBondContact O-CD 3.46Å; L95-R100 PolarHBondContact O-NE 3.02Å; L95-L364 HydrophobicContact CD1-CB 4.19Å; L95-L364 HydrophobicContact CD1-CD1 4.11Å; L95-L364 HydrophobicContact CD1-CD2 4.29Å; L95-L364 HydrophobicContact CD1-CG 4.43Å; L95-Y365 HydrophobicContact CD1-CD1 4.15Å; L95-Y365 HydrophobicContact CD1-CD2 4.49Å; L95-Y365 HydrophobicContact CD1-CE1 3.44Å; L95-Y365 VanDerWaalsContact CD1-CE1 3.44Å; L95-Y365 HydrophobicContact CD1-CE2 3.82Å; L95-Y365 VanDerWaalsContact CD1-OH 3.28Å; L95-Y365 WeakPolarHBondContact CD1-OH 3.16Å; L95-Y365 HydrophobicContact CD2-CE1 4.3Å; L95-Y365 HydrophobicContact CG-CD1 4.29Å; L95-Y365 HydrophobicContact CG-CE1 3.54Å
96P96.2Very high95Very high63 Ų6353.8 Ų53.841%0.40928%0.282SS..PPolyproline II helixtrans-50.1139.9172.5-27.334.4000112.7S98 I99 R100P96-S98 VanDerWaalsContact C-N 3.26Å; P96-S98 PolarHBondContact O-N 3.3Å; P96-I99 HydrophobicContact CB-CG1 4.4Å; P96-I99 HydrophobicContact CG-CD1 4.3Å; P96-I99 WeakPolarHBondContact O-CB 3.4Å; P96-I99 PolarHBondContact O-N 2.95Å; P96-R100 PolarHBondContact O-N 3.21Å; P96-R100 VanDerWaalsContact O-N 3.12Å
97A96Very high95.1Very high6 Ų653.7 Ų53.75%0.0528%0.281CS..Hα-helixtrans-50.8-43.7179.100000113N87 L95 I99 R100 V101 C122N87-A97 WeakPolarHBondContact OD1-CA 3.31Å; N87-A97 WeakPolarHBondContact OD1-CB 3.21Å; N87-A97 PolarHBondContact OD1-N 3.18Å; L95-A97 PolarHBondContact O-N 3.28Å; A97-I99 VanDerWaalsContact C-N 3.29Å; A97-I99 PolarHBondContact O-N 2.83Å; A97-R100 VanDerWaalsContact CA-NH2 3.29Å; A97-R100 PolarHBondContact O-N 3.48Å; A97-R100 VanDerWaalsContact O-N 3.11Å; A97-V101 WeakPolarHBondContact O-CB 3.43Å; A97-V101 VanDerWaalsContact O-CG2 3.3Å; A97-V101 WeakPolarHBondContact O-CG2 3.24Å; A97-V101 PolarHBondContact O-N 3.36Å; A97-C122 HydrophobicContact CB-CB 3.85Å
98S95.7Very high95.3Very high84 Ų8450 Ų5059%0.58726%0.261SS*.Hα-helixtrans-54.9-43.8176.4520000112.5P96 E102P96-S98 VanDerWaalsContact C-N 3.26Å; P96-S98 PolarHBondContact O-N 3.3Å; S98-E102 WeakPolarHBondContact O-CB 3.35Å; S98-E102 PolarHBondContact O-N 3.38Å
99I96.9Very high95.5Very high38 Ų3847.7 Ų47.720%0.19525%0.249CC..Hα-helixtrans-67.6-43.6177.3-60.7-175.2000110.7L95 P96 A97 E102 L103 Y358 L364L95-I99 HydrophobicContact CD1-CG2 3.96Å; P96-I99 HydrophobicContact CB-CG1 4.4Å; P96-I99 HydrophobicContact CG-CD1 4.3Å; P96-I99 WeakPolarHBondContact O-CB 3.4Å; P96-I99 PolarHBondContact O-N 2.95Å; A97-I99 VanDerWaalsContact C-N 3.29Å; A97-I99 PolarHBondContact O-N 2.83Å; I99-E102 PolarHBondContact O-N 2.98Å; I99-L103 HydrophobicContact CG2-CD1 4.07Å; I99-L103 HydrophobicContact CG2-CG 4.23Å; I99-L103 WeakPolarHBondContact O-CB 3.37Å; I99-L103 VanDerWaalsContact O-CG 3.25Å; I99-L103 WeakPolarHBondContact O-CG 3.46Å; I99-L103 PolarHBondContact O-N 3.49Å; I99-Y358 HydrophobicContact CG2-CE1 4.43Å; I99-L364 HydrophobicContact CD1-CD2 4.17Å; I99-L364 HydrophobicContact CG2-CD1 3.53Å; I99-L364 HydrophobicContact CG2-CD2 4.34Å
100R98Very high95.7Very high0 Ų045.4 Ų45.40%025%0.247CC..Hα-helixtrans-68.6-38.5-178.3-65.5-177.9-66.699.70.1112.5S18 V85 N87 L95 P96 A97 E102 T104S18-R100 VanDerWaalsContact O-CD 3.31Å; S18-R100 WeakPolarHBondContact O-CD 3.43Å; S18-R100 PolarHBondContact O-NH1 3.29Å; S18-R100 VanDerWaalsContact O-NH1 3.09Å; V85-R100 VanDerWaalsContact O-CZ 3.25Å; V85-R100 PolarHBondContact O-NH1 2.79Å; V85-R100 PolarHBondContact O-NH2 3.33Å; N87-R100 PolarHBondContact OD1-NH2 3.02Å; L95-R100 HydrophobicContact CB-CG 4.08Å; L95-R100 WeakPolarHBondContact O-CD 3.46Å; L95-R100 PolarHBondContact O-NE 3.02Å; P96-R100 PolarHBondContact O-N 3.21Å; P96-R100 VanDerWaalsContact O-N 3.12Å; A97-R100 VanDerWaalsContact CA-NH2 3.29Å; A97-R100 PolarHBondContact O-N 3.48Å; A97-R100 VanDerWaalsContact O-N 3.11Å; R100-E102 VanDerWaalsContact C-N 3.34Å; R100-T104 WeakPolarHBondContact O-CB 3.35Å; R100-T104 PolarHBondContact O-N 2.82Å; R100-T104 PolarHBondContact O-OG1 3.37Å
101V97.7Very high96Very high15 Ų1540.3 Ų40.39%0.09123%0.233CC..Hα-helixtrans-59.2-48.2170.7169.80000109.4P84 A97 L103 T104 R105 V117 N119 C122 M193P84-V101 HydrophobicContact CB-CG2 4.27Å; P84-V101 HydrophobicContact CG-CG2 4.08Å; A97-V101 WeakPolarHBondContact O-CB 3.43Å; A97-V101 VanDerWaalsContact O-CG2 3.3Å; A97-V101 WeakPolarHBondContact O-CG2 3.24Å; A97-V101 PolarHBondContact O-N 3.36Å; V101-L103 PolarHBondContact O-N 2.94Å; V101-T104 CarbonylContact O-C 3.55Å; V101-T104 PolarHBondContact O-N 2.85Å; V101-R105 WeakPolarHBondContact O-CB 3.47Å; V101-R105 PolarHBondContact O-N 3.23Å; V101-V117 HydrophobicContact CG1-CG1 4.25Å; V101-V117 HydrophobicContact CG1-CG2 4.43Å; V101-N119 HydrophobicContact CG1-CB 4.04Å; V101-N119 HydrophobicContact CG2-CB 4.07Å; V101-C122 HydrophobicContact CG2-CB 4.42Å; V101-M193 HydrophobicContact CG1-CE 4.16Å; V101-M193 HydrophobicContact CG1-SD 4.28Å
102E97.6Very high96.3Very high43 Ų4336.9 Ų36.920%0.20122%0.221CC..Hα-helixtrans-63.2-45.6179.7-177.758.6-167.400112.7S98 I99 R100 T104 R105 L106 Y358S98-E102 WeakPolarHBondContact O-CB 3.35Å; S98-E102 PolarHBondContact O-N 3.38Å; I99-E102 PolarHBondContact O-N 2.98Å; R100-E102 VanDerWaalsContact C-N 3.34Å; E102-T104 PolarHBondContact O-N 3.23Å; E102-R105 PolarHBondContact O-N 3.04Å; E102-R105 IonicContact OE1-CZ 3.02Å; E102-R105 IonicContact OE1-NE 3.81Å; E102-R105 IonicContact OE1-NH2 2.82Å; E102-R105 PolarHBondContact OE1-NH2 3.29Å; E102-R105 IonicContact OE2-CZ 3.96Å; E102-R105 IonicContact OE2-NE 3.53Å; E102-R105 PolarHBondContact OE2-NE 3.41Å; E102-R105 IonicContact OE2-NH2 3.98Å; E102-R105 PolarHBondContact OE2-NH2 3.45Å; E102-L106 HydrophobicContact CG-CD1 4.15Å; E102-L106 HydrophobicContact CG-CG 4.49Å; E102-L106 WeakPolarHBondContact O-CB 3.23Å; E102-L106 VanDerWaalsContact O-CG 3.28Å; E102-L106 WeakPolarHBondContact O-CG 3.37Å; E102-L106 PolarHBondContact O-N 3.1Å; E102-Y358 HydrophobicContact CG-CD2 4.24Å; E102-Y358 HydrophobicContact CG-CE2 3.67Å
103L98Very high96.4Very high0 Ų034 Ų340%022%0.216CC..Hα-helixtrans-57.9-37.9175.3-71.4179000112.1P21 I22 I99 V101 A107 T355 Y358 I359 L364 Y365P21-L103 HydrophobicContact CB-CD1 4.04Å; I22-L103 WeakPolarHBondContact CG2-O 3.31Å; I99-L103 HydrophobicContact CG2-CD1 4.07Å; I99-L103 HydrophobicContact CG2-CG 4.23Å; I99-L103 WeakPolarHBondContact O-CB 3.37Å; I99-L103 VanDerWaalsContact O-CG 3.25Å; I99-L103 WeakPolarHBondContact O-CG 3.46Å; I99-L103 PolarHBondContact O-N 3.49Å; V101-L103 PolarHBondContact O-N 2.94Å; L103-A107 PolarHBondContact O-N 3.26Å; L103-T355 HydrophobicContact CB-CG2 3.95Å; L103-T355 HydrophobicContact CD2-CG2 3.8Å; L103-T355 HydrophobicContact CG-CG2 4.38Å; L103-T355 PolarHBondContact O-OG1 3.18Å; L103-Y358 HydrophobicContact CD2-CD1 3.6Å; L103-Y358 HydrophobicContact CD2-CE1 4.44Å; L103-Y358 HydrophobicContact CD2-CG 4.08Å; L103-Y358 HydrophobicContact CG-CD1 4.48Å; L103-I359 HydrophobicContact CD1-CG1 4.37Å; L103-I359 HydrophobicContact CD2-CD1 4.42Å; L103-I359 HydrophobicContact CD2-CG1 3.81Å; L103-L364 HydrophobicContact CD1-CD1 4.06Å; L103-L364 HydrophobicContact CD2-CD1 4.22Å; L103-L364 HydrophobicContact CG-CD1 4.48Å; L103-Y365 HydrophobicContact CD1-CE2 4.41Å
104T98.2Very high96.5Very high0 Ų032.4 Ų32.40%019%0.193CC..Hα-helixtrans-74.6-41.9178.6-53.50000111.7I22 F82 R100 V101 E102 L106 A107 C108 V117I22-T104 HydrophobicContact CD1-CG2 3.59Å; F82-T104 HydrophobicContact CB-CG2 3.66Å; F82-T104 HydrophobicContact CD2-CG2 4.07Å; F82-T104 HydrophobicContact CG-CG2 4.06Å; R100-T104 WeakPolarHBondContact O-CB 3.35Å; R100-T104 PolarHBondContact O-N 2.82Å; R100-T104 PolarHBondContact O-OG1 3.37Å; V101-T104 CarbonylContact O-C 3.55Å; V101-T104 PolarHBondContact O-N 2.85Å; E102-T104 PolarHBondContact O-N 3.23Å; T104-L106 PolarHBondContact O-N 3.41Å; T104-A107 WeakPolarHBondContact O-CB 3.46Å; T104-A107 PolarHBondContact O-N 3.21Å; T104-C108 PolarHBondContact O-N 2.82Å; T104-C108 PolarHBondContact O-SG 2.93Å; T104-C108 VanDerWaalsContact O-SG 3.33Å; T104-V117 HydrophobicContact CG2-CB 3.99Å; T104-V117 HydrophobicContact CG2-CG2 3.69Å
105R98Very high96.7Very high22 Ų2231 Ų318%0.08319%0.186CC..Hα-helixtrans-57.6-48.4173.8-166.3-170.968.387.8-1.4111V101 E102 A107 C108 I109 V117 S188 E191 M193V101-R105 WeakPolarHBondContact O-CB 3.47Å; V101-R105 PolarHBondContact O-N 3.23Å; E102-R105 PolarHBondContact O-N 3.04Å; E102-R105 IonicContact OE1-CZ 3.02Å; E102-R105 IonicContact OE1-NE 3.81Å; E102-R105 IonicContact OE1-NH2 2.82Å; E102-R105 PolarHBondContact OE1-NH2 3.29Å; E102-R105 IonicContact OE2-CZ 3.96Å; E102-R105 IonicContact OE2-NE 3.53Å; E102-R105 PolarHBondContact OE2-NE 3.41Å; E102-R105 IonicContact OE2-NH2 3.98Å; E102-R105 PolarHBondContact OE2-NH2 3.45Å; R105-A107 VanDerWaalsContact C-N 3.31Å; R105-A107 PolarHBondContact O-N 2.9Å; R105-C108 PolarHBondContact O-N 3.33Å; R105-I109 HydrophobicContact CG-CD1 4.16Å; R105-I109 WeakPolarHBondContact O-CG1 3.31Å; R105-I109 PolarHBondContact O-N 2.91Å; R105-V117 HydrophobicContact CB-CG1 3.77Å; R105-V117 HydrophobicContact CG-CG1 4.1Å; R105-S188 PolarHBondContact NH1-O 2.51Å; R105-E191 VanDerWaalsContact CD-O 3.29Å; R105-E191 WeakPolarHBondContact CD-O 3.32Å; R105-E191 WeakPolarHBondContact CG-O 3.37Å; R105-E191 PolarHBondContact NH1-O 3.42Å; R105-M193 HydrophobicContact CB-SD 4.33Å; R105-M193 VanDerWaalsContact CD-SD 3.52Å; R105-M193 HydrophobicContact CG-CG 4.22Å; R105-M193 HydrophobicContact CG-SD 3.81Å
106L97.6Very high96.7Very high20 Ų2029.5 Ų29.511%0.10518%0.178CC..Hα-helixtrans-62.7-36177.6-69.4172.9000112.6E102 T104 S110 R354 Y358E102-L106 HydrophobicContact CG-CD1 4.15Å; E102-L106 HydrophobicContact CG-CG 4.49Å; E102-L106 WeakPolarHBondContact O-CB 3.23Å; E102-L106 VanDerWaalsContact O-CG 3.28Å; E102-L106 WeakPolarHBondContact O-CG 3.37Å; E102-L106 PolarHBondContact O-N 3.1Å; T104-L106 PolarHBondContact O-N 3.41Å; L106-S110 VanDerWaalsContact O-CB 3.31Å; L106-S110 WeakPolarHBondContact O-CB 3.29Å; L106-S110 PolarHBondContact O-N 3.11Å; L106-S110 VanDerWaalsContact O-N 3.08Å; L106-S110 PolarHBondContact O-OG 3.39Å; L106-R354 HydrophobicContact CB-CB 4.06Å; L106-R354 HydrophobicContact CD2-CB 4.37Å; L106-Y358 HydrophobicContact CD1-CD2 3.53Å; L106-Y358 HydrophobicContact CD1-CE2 4.39Å; L106-Y358 HydrophobicContact CD1-CG 3.81Å
107A98Very high96.8Very high0 Ų026.5 Ų26.50%016%0.158CC..Hα-helixtrans-64.2-46.9172.300000111.7I22 M27 L103 T104 R105 S110 A111 P352 T355I22-A107 HydrophobicContact CD1-CB 4.05Å; I22-A107 HydrophobicContact CG1-CB 4.42Å; I22-A107 HydrophobicContact CG2-CB 3.64Å; M27-A107 HydrophobicContact SD-CB 4.35Å; L103-A107 PolarHBondContact O-N 3.26Å; T104-A107 WeakPolarHBondContact O-CB 3.46Å; T104-A107 PolarHBondContact O-N 3.21Å; R105-A107 VanDerWaalsContact C-N 3.31Å; R105-A107 PolarHBondContact O-N 2.9Å; A107-S110 PolarHBondContact O-N 2.95Å; A107-S110 PolarHBondContact O-OG 3.4Å; A107-A111 WeakPolarHBondContact O-CB 3.17Å; A107-A111 PolarHBondContact O-N 2.92Å; A107-A111 VanDerWaalsContact O-N 3.1Å; A107-P352 HydrophobicContact CB-CB 4.13Å; A107-P352 HydrophobicContact CB-CG 3.76Å; A107-T355 WeakPolarHBondContact CA-OG1 3.33Å; A107-T355 WeakPolarHBondContact CB-OG1 3.18Å; A107-T355 PolarHBondContact N-OG1 3.03Å
108C97.3Very high96.9Very high1 Ų126.7 Ų26.71%0.00716%0.159CC..Hα-helixtrans-58-51.9177.8-67.30000111.2T104 R105 S110 A111 S112 L115T104-C108 PolarHBondContact O-N 2.82Å; T104-C108 PolarHBondContact O-SG 2.93Å; T104-C108 VanDerWaalsContact O-SG 3.33Å; R105-C108 PolarHBondContact O-N 3.33Å; C108-S110 VanDerWaalsContact C-N 3.31Å; C108-S110 PolarHBondContact O-N 2.84Å; C108-A111 PolarHBondContact O-N 3.17Å; C108-S112 PolarHBondContact O-N 3.43Å; C108-L115 WeakPolarHBondContact CB-O 3.29Å
109I95.2Very high96.9Very high32 Ų3225.4 Ų25.416%0.16415%0.146CC..Hα-helixtrans-62.7-37.7-178.9-60.3161.2000112.4R105 E191 R354R105-I109 HydrophobicContact CG-CD1 4.16Å; R105-I109 WeakPolarHBondContact O-CG1 3.31Å; R105-I109 PolarHBondContact O-N 2.91Å; I109-E191 HydrophobicContact CD1-CB 4.03Å; I109-E191 HydrophobicContact CD1-CG 4.16Å; I109-E191 VanDerWaalsContact CD1-O 3.24Å; I109-E191 WeakPolarHBondContact CD1-O 3.19Å; I109-E191 HydrophobicContact CG1-CB 4.35Å; I109-E191 HydrophobicContact CG1-CG 4Å; I109-E191 HydrophobicContact CG2-CG 4.38Å; I109-R354 VanDerWaalsContact CG2-NH1 3.32Å
110S94.8Very high96.9Very high47 Ų4725.9 Ų25.933%0.32915%0.145SC..Hα-helixtrans-83.9-18.9-173.557.80000114.5L106 A107 C108L106-S110 VanDerWaalsContact O-CB 3.31Å; L106-S110 WeakPolarHBondContact O-CB 3.29Å; L106-S110 PolarHBondContact O-N 3.11Å; L106-S110 VanDerWaalsContact O-N 3.08Å; L106-S110 PolarHBondContact O-OG 3.39Å; A107-S110 PolarHBondContact O-N 2.95Å; A107-S110 PolarHBondContact O-OG 3.4Å; C108-S110 VanDerWaalsContact C-N 3.31Å; C108-S110 PolarHBondContact O-N 2.84Å
111A93.8Very high96.9Very high60 Ų6026.1 Ų26.150%0.49615%0.146SC..Hα-helixtrans-134.10.8-168.400000114.9M27 A107 C108M27-A111 HydrophobicContact CE-CB 4.04Å; A107-A111 WeakPolarHBondContact O-CB 3.17Å; A107-A111 PolarHBondContact O-N 2.92Å; A107-A111 VanDerWaalsContact O-N 3.1Å; C108-A111 PolarHBondContact O-N 3.17Å
112S96.2Very high96.8Very high23 Ų2326.5 Ų26.516%0.16115%0.149CC..  trans-152.5151.6-179.3-174.10000112.8C108 W114 L115C108-S112 PolarHBondContact O-N 3.43Å; S112-W114 VanDerWaalsContact OG-CD1 3.23Å; S112-W114 PolarHBondContact OG-N 3.41Å; S112-L115 WeakPolarHBondContact OG-CB 3.48Å; S112-L115 WeakPolarHBondContact OG-CG 3.26Å; S112-L115 PolarHBondContact OG-N 3.07Å
113D94Very high96.6Very high142 Ų14226.5 Ų26.576%0.75915%0.154SC*.SBendtrans-104.7-9.7172.759.7-6.8000113.2
114W96.6Very high96.4Very high18 Ų1829.1 Ų29.17%0.06817%0.167CC..SBendtrans-124.2-0.6-173.172.7-84000113.8L13 M30 E31 R34 V77 G79 G80 S112 W198L13-W114 HydrophobicContact CB-CZ3 4.5Å; L13-W114 HydrophobicContact CD1-CH2 3.88Å; L13-W114 HydrophobicContact CD1-CZ3 4.03Å; M30-W114 HydrophobicContact CB-CH2 3.77Å; M30-W114 HydrophobicContact CB-CZ2 3.92Å; M30-W114 HydrophobicContact CE-CH2 4.36Å; M30-W114 HydrophobicContact CE-CZ3 4.48Å; M30-W114 WeakPolarHBondContact O-CH2 3.39Å; E31-W114 PolarHBondContact OE1-NE1 3.21Å; R34-W114 HydrophobicContact CB-CH2 3.9Å; R34-W114 HydrophobicContact CB-CZ2 4.06Å; R34-W114 VanDerWaalsContact NH1-CD1 3.27Å; V77-W114 HydrophobicContact CG1-CE3 3.95Å; V77-W114 HydrophobicContact CG1-CH2 4.38Å; V77-W114 HydrophobicContact CG1-CZ3 3.59Å; G79-W114 WeakPolarHBondContact CA-O 3.45Å; G80-W114 PolarHBondContact N-O 3.2Å; S112-W114 VanDerWaalsContact OG-CD1 3.23Å; S112-W114 PolarHBondContact OG-N 3.41Å; W114-W198 WeakPolarHBondContact O-CZ2 3.49Å
115L98Very high96.1Very high5 Ų534.7 Ų34.73%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-105.8141.6178.3-62.1175000111.7M27 M30 G80 F82 C108 S112M27-L115 HydrophobicContact CE-CD1 3.72Å; M27-L115 HydrophobicContact SD-CD1 4.16Å; M30-L115 HydrophobicContact CB-CD1 4.07Å; M30-L115 HydrophobicContact CB-CD2 3.94Å; M30-L115 HydrophobicContact CE-CD2 3.71Å; M30-L115 HydrophobicContact CG-CD1 4.38Å; M30-L115 HydrophobicContact CG-CD2 4.09Å; G80-L115 CarbonylContact O-C 3.56Å; G80-L115 WeakPolarHBondContact O-CA 3.4Å; F82-L115 HydrophobicContact CE2-CB 4.46Å; F82-L115 HydrophobicContact CE2-CD1 3.96Å; F82-L115 HydrophobicContact CZ-CD1 4.4Å; C108-L115 WeakPolarHBondContact CB-O 3.29Å; S112-L115 WeakPolarHBondContact OG-CB 3.48Å; S112-L115 WeakPolarHBondContact OG-CG 3.26Å; S112-L115 PolarHBondContact OG-N 3.07Å
116A97.9Very high95.8Very high0 Ų036.9 Ų36.90%022%0.223CC..EExtended strand (participates in β ladder)trans-140.3167.817300000111.7G80 I81 F82 G192 A194 W198G80-A116 PolarHBondContact O-N 2.91Å; I81-A116 CarbonylContact C-O 3.58Å; I81-A116 WeakPolarHBondContact CA-O 3.26Å; F82-A116 PolarHBondContact N-O 3.29Å; A116-G192 CarbonylContact C-O 3.58Å; A116-G192 VanDerWaalsContact CA-O 3.31Å; A116-G192 WeakPolarHBondContact CA-O 3.32Å; A116-A194 HydrophobicContact CB-CB 3.97Å; A116-W198 HydrophobicContact CB-CD2 3.68Å; A116-W198 VanDerWaalsContact CB-CE2 3.44Å; A116-W198 HydrophobicContact CB-CE3 3.93Å; A116-W198 HydrophobicContact CB-CG 4.34Å; A116-W198 HydrophobicContact CB-CH2 3.79Å; A116-W198 HydrophobicContact CB-CZ2 3.51Å; A116-W198 HydrophobicContact CB-CZ3 3.98Å
117V98.2Very high95.6Very high0 Ų040.7 Ų40.70%024%0.236CC..EExtended strand (participates in β ladder)trans-107.6134.6175.270.90000111F82 P84 V101 T104 R105 G192 M193 A194F82-V117 WeakPolarHBondContact O-CA 3.49Å; P84-V117 HydrophobicContact CG-CG2 3.76Å; V101-V117 HydrophobicContact CG1-CG1 4.25Å; V101-V117 HydrophobicContact CG1-CG2 4.43Å; T104-V117 HydrophobicContact CG2-CB 3.99Å; T104-V117 HydrophobicContact CG2-CG2 3.69Å; R105-V117 HydrophobicContact CB-CG1 3.77Å; R105-V117 HydrophobicContact CG-CG1 4.1Å; V117-G192 PolarHBondContact N-O 3.22Å; V117-M193 HydrophobicContact CG1-CE 4.14Å; V117-M193 HydrophobicContact CG1-SD 3.31Å; V117-M193 WeakPolarHBondContact CG1-SD 3.49Å; V117-M193 CarbonylContact O-C 3.54Å; V117-M193 WeakPolarHBondContact O-CA 3.42Å; V117-A194 PolarHBondContact O-N 2.89Å
118S97.6Very high95.4Very high11 Ų1141.8 Ų41.88%0.07724%0.242CC..  trans-99.4127165.7-179.70000109.5F82 P84 W120F82-S118 PolarHBondContact O-N 2.92Å; P84-S118 WeakPolarHBondContact CD-O 3.47Å; S118-W120 WeakPolarHBondContact OG-CB 3.46Å; S118-W120 PolarHBondContact OG-N 3.02Å
119N96.1Very high95.3Very high56 Ų5646.2 Ų46.230%0.29926%0.258SS..  trans-91.2117168-30.3000112.7V101 E121 C122 S123 M193V101-N119 HydrophobicContact CG1-CB 4.04Å; V101-N119 HydrophobicContact CG2-CB 4.07Å; N119-E121 VanDerWaalsContact C-N 3.35Å; N119-E121 PolarHBondContact O-N 3.08Å; N119-C122 WeakPolarHBondContact O-CA 3.31Å; N119-C122 WeakPolarHBondContact O-CB 3.43Å; N119-C122 PolarHBondContact O-N 3.02Å; N119-S123 PolarHBondContact O-N 2.99Å; N119-S123 VanDerWaalsContact O-N 3.1Å; N119-S123 PolarHBondContact O-OG 3.24Å; N119-M193 HydrophobicContact CB-CE 3.99Å
120W96.9Very high95.4Very high48 Ų4845.8 Ų45.818%0.18226%0.257CS..THydrogen-bonded Turntrans-56.7-45.8-171.9177.684000112.6S118 C122 S123 Q124 L128 V132 V133 H136S118-W120 WeakPolarHBondContact OG-CB 3.46Å; S118-W120 PolarHBondContact OG-N 3.02Å; W120-C122 VanDerWaalsContact C-N 3.29Å; W120-C122 PolarHBondContact O-N 3.21Å; W120-S123 PolarHBondContact O-N 3.49Å; W120-S123 VanDerWaalsContact O-N 3.16Å; W120-Q124 VanDerWaalsContact CE2-NE2 3.32Å; W120-Q124 WeakPolarHBondContact O-CG 3.48Å; W120-Q124 PolarHBondContact O-NE2 3.25Å; W120-L128 HydrophobicContact CE3-CD1 4.48Å; W120-L128 HydrophobicContact CH2-CD1 3.5Å; W120-L128 HydrophobicContact CZ2-CD1 4.48Å; W120-L128 HydrophobicContact CZ3-CD1 3.5Å; W120-V132 HydrophobicContact CH2-CG1 4.36Å; W120-V133 HydrophobicContact CZ3-CG2 4.39Å; W120-H136 AromaticContact CD1-CE1 3.52Å; W120-H136 AromaticContact CD1-NE2 3.39Å; W120-H136 HydrophobicContact CD2-CB 4.3Å; W120-H136 AromaticContact CD2-CD2 3.22Å; W120-H136 AromaticContact CD2-CE1 3.85Å; W120-H136 AromaticContact CD2-CG 3.53Å; W120-H136 AromaticContact CD2-ND1 3.9Å; W120-H136 AromaticContact CD2-NE2 3.48Å; W120-H136 AromaticContact CE2-CD2 3.59Å; W120-H136 AromaticContact CE2-CE1 3.53Å; W120-H136 AromaticContact CE2-CG 3.41Å; W120-H136 VanDerWaalsContact CE2-CG 3.41Å; W120-H136 AromaticContact CE2-ND1 3.38Å; W120-H136 AromaticContact CE2-NE2 3.67Å; W120-H136 HydrophobicContact CE3-CB 3.99Å; W120-H136 AromaticContact CE3-CD2 3.45Å; W120-H136 VanDerWaalsContact CE3-CD2 3.45Å; W120-H136 AromaticContact CE3-CG 3.68Å; W120-H136 AromaticContact CG-CD2 3.56Å; W120-H136 AromaticContact CG-CE1 3.86Å; W120-H136 AromaticContact CG-NE2 3.31Å; W120-H136 VanDerWaalsContact CG-NE2 3.31Å; W120-H136 HydrophobicContact CH2-CB 3.45Å; W120-H136 VanDerWaalsContact CH2-CB 3.45Å; W120-H136 AromaticContact CH2-CG 3.65Å; W120-H136 HydrophobicContact CZ2-CB 3.79Å; W120-H136 AromaticContact CZ2-CG 3.5Å; W120-H136 VanDerWaalsContact CZ2-CG 3.5Å; W120-H136 AromaticContact CZ2-ND1 3.53Å; W120-H136 HydrophobicContact CZ3-CB 3.56Å; W120-H136 AromaticContact CZ3-CD2 3.98Å; W120-H136 AromaticContact CZ3-CG 3.74Å; W120-H136 AromaticContact NE1-CE1 3.3Å; W120-H136 PolarHBondContact NE1-CE1 3.01Å; W120-H136 VanDerWaalsContact NE1-CE1 3.3Å; W120-H136 AromaticContact NE1-ND1 3.58Å; W120-H136 AromaticContact NE1-NE2 3.6Å
121E97.3Very high95.5Very high6 Ų645.7 Ų45.73%0.02825%0.25CC..G310 helixtrans-60.7-39.4177.6-176.4-175.216500111.9S83 V85 N119 S123 Q124 V133S83-E121 WeakPolarHBondContact OG-CB 3.41Å; S83-E121 PolarHBondContact OG-OE2 3.08Å; V85-E121 VanDerWaalsContact CA-OE1 3.31Å; V85-E121 WeakPolarHBondContact CA-OE1 3.41Å; V85-E121 WeakPolarHBondContact CG2-OE1 3.3Å; N119-E121 VanDerWaalsContact C-N 3.35Å; N119-E121 PolarHBondContact O-N 3.08Å; E121-S123 VanDerWaalsContact C-N 3.28Å; E121-S123 PolarHBondContact O-N 3.34Å; E121-Q124 PolarHBondContact O-N 3.04Å; E121-V133 HydrophobicContact CB-CG2 4.29Å; E121-V133 HydrophobicContact CG-CG2 3.93Å
122C94.8Very high95.7Very high22 Ų2244.7 Ų44.715%0.14924%0.237CC..G310 helixtrans-68-26.8178.4-750000113.4P84 V85 A97 V101 N119 W120 Q124P84-C122 PolarHBondContact O-SG 3Å; V85-C122 PolarHBondContact O-SG 3.46Å; V85-C122 VanDerWaalsContact O-SG 3.39Å; A97-C122 HydrophobicContact CB-CB 3.85Å; V101-C122 HydrophobicContact CG2-CB 4.42Å; N119-C122 WeakPolarHBondContact O-CA 3.31Å; N119-C122 WeakPolarHBondContact O-CB 3.43Å; N119-C122 PolarHBondContact O-N 3.02Å; W120-C122 VanDerWaalsContact C-N 3.29Å; W120-C122 PolarHBondContact O-N 3.21Å; C122-Q124 VanDerWaalsContact C-N 3.29Å
123S93.5Very high95.8Very high44 Ų4443.6 Ų43.631%0.30823%0.23SC..G310 helixtrans-82.4-3179.8-63.40000113.7N119 W120 E121N119-S123 PolarHBondContact O-N 2.99Å; N119-S123 VanDerWaalsContact O-N 3.1Å; N119-S123 PolarHBondContact O-OG 3.24Å; W120-S123 PolarHBondContact O-N 3.49Å; W120-S123 VanDerWaalsContact O-N 3.16Å; E121-S123 VanDerWaalsContact C-N 3.28Å; E121-S123 PolarHBondContact O-N 3.34Å
124Q94.8Very high96Very high55 Ų5536.9 Ų36.926%0.25719%0.194SC..SBendtrans-80.8145.8-178.5-53.6-55.4-53.200112.1W120 E121 C122 C126 L128W120-Q124 VanDerWaalsContact CE2-NE2 3.32Å; W120-Q124 WeakPolarHBondContact O-CG 3.48Å; W120-Q124 PolarHBondContact O-NE2 3.25Å; E121-Q124 PolarHBondContact O-N 3.04Å; C122-Q124 VanDerWaalsContact C-N 3.29Å; Q124-C126 PolarHBondContact O-N 3.19Å; Q124-L128 HydrophobicContact CB-CD1 4.27Å; Q124-L128 HydrophobicContact CB-CG 4.25Å; Q124-L128 HydrophobicContact CG-CD1 3.64Å; Q124-L128 HydrophobicContact CG-CG 4.15Å
125S91.7Very high96Very high117 Ų11737.9 Ų37.982%0.81820%0.201SC*.SBendtrans-74-6.2-179.7600000114.4L88L88-S125 VanDerWaalsContact CD1-C 3.43Å; L88-S125 WeakPolarHBondContact CD1-O 3.07Å
126C92.3Very high96Very high67 Ų6739.5 Ų39.545%0.45321%0.208SC..SBendtrans-138.9159.4175.460.30000110.5Q124 L128Q124-C126 PolarHBondContact O-N 3.19Å; C126-L128 PolarHBondContact O-N 3.13Å
127W91.9Very high96Very high100 Ų10039.9 Ų39.938%0.37921%0.21SC..  trans-66.2133.9167.7172.776.7000109.7L88 Y89 R129L88-W127 HydrophobicContact CB-CB 4Å; Y89-W127 AromaticContact CD2-CD1 3.77Å; Y89-W127 AromaticContact CD2-CE2 3.86Å; Y89-W127 HydrophobicContact CD2-CG 4.46Å; Y89-W127 HydrophobicContact CD2-CZ2 4.41Å; Y89-W127 AromaticContact CD2-NE1 3.35Å; W127-R129 HydrophobicContact CH2-CG 3.94Å; W127-R129 HydrophobicContact CZ3-CG 3.82Å
128L94.8Very high95.9Very high23 Ų2343.9 Ų43.912%0.1223%0.226CC..  trans-105.6144.8-179.7-64.6-168.8000111.7W120 Q124 C126 V132 V133W120-L128 HydrophobicContact CE3-CD1 4.48Å; W120-L128 HydrophobicContact CH2-CD1 3.5Å; W120-L128 HydrophobicContact CZ2-CD1 4.48Å; W120-L128 HydrophobicContact CZ3-CD1 3.5Å; Q124-L128 HydrophobicContact CB-CD1 4.27Å; Q124-L128 HydrophobicContact CB-CG 4.25Å; Q124-L128 HydrophobicContact CG-CD1 3.64Å; Q124-L128 HydrophobicContact CG-CG 4.15Å; C126-L128 PolarHBondContact O-N 3.13Å; L128-V132 HydrophobicContact CD1-CB 4.48Å; L128-V132 HydrophobicContact CD1-CG1 3.93Å; L128-V132 HydrophobicContact CD2-CG1 4.42Å; L128-V133 HydrophobicContact CB-CG2 4.29Å
129R96.1Very high95.8Very high94 Ų9446.1 Ų46.136%0.35524%0.241SC..  trans-70.8145169.5-62.4179.5-71.588.5-2.3109.4W127 R131 V132 V133 D284W127-R129 HydrophobicContact CH2-CG 3.94Å; W127-R129 HydrophobicContact CZ3-CG 3.82Å; R129-R131 PolarHBondContact O-N 3.4Å; R129-R131 VanDerWaalsContact O-N 3.08Å; R129-V132 HydrophobicContact CB-CG2 4.45Å; R129-V132 WeakPolarHBondContact O-CB 3.28Å; R129-V132 PolarHBondContact O-N 2.9Å; R129-V133 PolarHBondContact O-N 2.84Å; R129-D284 VanDerWaalsContact CD-OD2 3.22Å; R129-D284 WeakPolarHBondContact CD-OD2 3.12Å; R129-D284 IonicContact CZ-OD1 3.78Å; R129-D284 IonicContact CZ-OD2 2.69Å; R129-D284 IonicContact NE-OD2 2.87Å; R129-D284 IonicContact NH1-OD1 2.85Å; R129-D284 PolarHBondContact NH1-OD1 3.01Å; R129-D284 IonicContact NH1-OD2 3.37Å; R129-D284 PolarHBondContact NH1-OD2 2.91Å
130T97.1Very high95.8Very high23 Ų2344.4 Ų44.414%0.14123%0.233CC..Hα-helixtrans-51.8-36.6-178.7-52.70000113.4C16 V132 V133 L134 L264C16-T130 HydrophobicContact CB-CG2 4.37Å; T130-V132 VanDerWaalsContact C-N 3.33Å; T130-V132 PolarHBondContact O-N 2.91Å; T130-V133 PolarHBondContact O-N 3.01Å; T130-L134 HydrophobicContact CG2-CD1 4.3Å; T130-L134 PolarHBondContact O-N 2.71Å; T130-L264 HydrophobicContact CG2-CD1 4.02Å; T130-L264 HydrophobicContact CG2-CD2 4.1Å
131R97.1Very high95.7Very high45 Ų4542.2 Ų42.217%0.1723%0.225CC..Hα-helixtrans-57.1-44.8175.5-177.2-178.562.787-18.5112.2R129 V133 L134 D135 D284 T287 I288R129-R131 PolarHBondContact O-N 3.4Å; R129-R131 VanDerWaalsContact O-N 3.08Å; R131-V133 PolarHBondContact O-N 2.83Å; R131-L134 WeakPolarHBondContact O-CB 3.45Å; R131-L134 PolarHBondContact O-N 3.06Å; R131-L134 VanDerWaalsContact O-N 3.14Å; R131-D135 IonicContact CZ-OD2 2.68Å; R131-D135 IonicContact NH1-OD2 3.72Å; R131-D135 PolarHBondContact NH1-OD2 2.94Å; R131-D135 PolarHBondContact O-N 2.78Å; R131-D284 HydrophobicContact CB-CB 4.32Å; R131-D284 IonicContact CZ-OD1 3.44Å; R131-D284 IonicContact NE-OD1 3.8Å; R131-D284 PolarHBondContact NE-OD1 2.91Å; R131-D284 IonicContact NH2-OD1 3.96Å; R131-T287 HydrophobicContact CG-CG2 4.3Å; R131-I288 HydrophobicContact CB-CD1 4.11Å; R131-I288 HydrophobicContact CB-CG1 3.99Å; R131-I288 HydrophobicContact CG-CG1 4.38Å
132V97.4Very high95.5Very high39 Ų3943 Ų4324%0.23623%0.23CC..Hα-helixtrans-64.5-34.8-178.3-176.90000110.8W120 L128 R129 T130 H136W120-V132 HydrophobicContact CH2-CG1 4.36Å; L128-V132 HydrophobicContact CD1-CB 4.48Å; L128-V132 HydrophobicContact CD1-CG1 3.93Å; L128-V132 HydrophobicContact CD2-CG1 4.42Å; R129-V132 HydrophobicContact CB-CG2 4.45Å; R129-V132 WeakPolarHBondContact O-CB 3.28Å; R129-V132 PolarHBondContact O-N 2.9Å; T130-V132 VanDerWaalsContact C-N 3.33Å; T130-V132 PolarHBondContact O-N 2.91Å; V132-H136 WeakPolarHBondContact O-CB 3.49Å; V132-H136 PolarHBondContact O-N 3.39Å
133V97.8Very high95.4Very high1 Ų146.7 Ų46.71%0.00625%0.248CC..Hα-helixtrans-67.1-44.1174.3-173.50000110.9L14 W120 E121 L128 R129 T130 R131 H136 I137L14-V133 HydrophobicContact CD2-CG1 4.26Å; W120-V133 HydrophobicContact CZ3-CG2 4.39Å; E121-V133 HydrophobicContact CB-CG2 4.29Å; E121-V133 HydrophobicContact CG-CG2 3.93Å; L128-V133 HydrophobicContact CB-CG2 4.29Å; R129-V133 PolarHBondContact O-N 2.84Å; T130-V133 PolarHBondContact O-N 3.01Å; R131-V133 PolarHBondContact O-N 2.83Å; V133-H136 PolarHBondContact O-N 3.08Å; V133-I137 HydrophobicContact CG1-CG1 4.47Å; V133-I137 WeakPolarHBondContact O-CG1 3.19Å; V133-I137 PolarHBondContact O-N 3.04Å
134L98Very high95.3Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-58.9-47.5173.6-78.5159.4000111.7L14 T130 R131 H136 I137 Y138 V262 L264 I288 Y292L14-L134 HydrophobicContact CB-CD2 4.38Å; L14-L134 HydrophobicContact CD2-CD2 3.55Å; L14-L134 HydrophobicContact CD2-CG 3.85Å; T130-L134 HydrophobicContact CG2-CD1 4.3Å; T130-L134 PolarHBondContact O-N 2.71Å; R131-L134 WeakPolarHBondContact O-CB 3.45Å; R131-L134 PolarHBondContact O-N 3.06Å; R131-L134 VanDerWaalsContact O-N 3.14Å; L134-H136 VanDerWaalsContact C-N 3.32Å; L134-H136 PolarHBondContact O-N 3.11Å; L134-I137 PolarHBondContact O-N 2.86Å; L134-Y138 VanDerWaalsContact O-CB 3.29Å; L134-Y138 WeakPolarHBondContact O-CB 3.39Å; L134-Y138 PolarHBondContact O-N 2.88Å; L134-V262 HydrophobicContact CD2-CG1 3.8Å; L134-L264 HydrophobicContact CD1-CB 4.36Å; L134-L264 HydrophobicContact CD1-CD2 4.5Å; L134-L264 HydrophobicContact CD2-CB 4.34Å; L134-I288 HydrophobicContact CD1-CB 4.44Å; L134-I288 HydrophobicContact CD1-CD1 4.44Å; L134-I288 HydrophobicContact CD1-CG1 3.84Å; L134-I288 HydrophobicContact CD1-CG2 4.01Å; L134-Y292 HydrophobicContact CB-CD1 4.28Å; L134-Y292 HydrophobicContact CB-CD2 4.08Å; L134-Y292 HydrophobicContact CB-CE1 4.14Å; L134-Y292 HydrophobicContact CB-CE2 3.88Å; L134-Y292 HydrophobicContact CB-CG 4.26Å; L134-Y292 HydrophobicContact CD1-CD2 4.12Å; L134-Y292 HydrophobicContact CD1-CG 4.33Å; L134-Y292 HydrophobicContact CD2-CD1 4.21Å; L134-Y292 HydrophobicContact CD2-CG 4.13Å; L134-Y292 HydrophobicContact CG-CG 4.49Å
135D97.7Very high95.1Very high40 Ų4043.4 Ų43.421%0.21423%0.227CC..Hα-helixtrans-57.9-43.7178.2-62.3-20.8000111.5R131 S139 Y292R131-D135 IonicContact CZ-OD2 2.68Å; R131-D135 IonicContact NH1-OD2 3.72Å; R131-D135 PolarHBondContact NH1-OD2 2.94Å; R131-D135 PolarHBondContact O-N 2.78Å; D135-S139 VanDerWaalsContact O-CB 3.32Å; D135-S139 WeakPolarHBondContact O-CB 3.37Å; D135-S139 PolarHBondContact O-N 3.33Å; D135-S139 PolarHBondContact O-OG 2.98Å; D135-Y292 VanDerWaalsContact CA-OH 3.23Å; D135-Y292 WeakPolarHBondContact CA-OH 3.47Å; D135-Y292 PolarHBondContact N-OH 3.45Å; D135-Y292 WeakPolarHBondContact OD1-CE2 3.37Å; D135-Y292 PolarHBondContact OD1-OH 3.04Å
136H97.2Very high94.9Very high38 Ų3840.3 Ų40.318%0.17621%0.206CC..Hα-helixtrans-63.6-52.7176.6172.770.6000111.8W120 V132 V133 L134 Y138 S139 T140W120-H136 AromaticContact CD1-CE1 3.52Å; W120-H136 AromaticContact CD1-NE2 3.39Å; W120-H136 HydrophobicContact CD2-CB 4.3Å; W120-H136 AromaticContact CD2-CD2 3.22Å; W120-H136 AromaticContact CD2-CE1 3.85Å; W120-H136 AromaticContact CD2-CG 3.53Å; W120-H136 AromaticContact CD2-ND1 3.9Å; W120-H136 AromaticContact CD2-NE2 3.48Å; W120-H136 AromaticContact CE2-CD2 3.59Å; W120-H136 AromaticContact CE2-CE1 3.53Å; W120-H136 AromaticContact CE2-CG 3.41Å; W120-H136 VanDerWaalsContact CE2-CG 3.41Å; W120-H136 AromaticContact CE2-ND1 3.38Å; W120-H136 AromaticContact CE2-NE2 3.67Å; W120-H136 HydrophobicContact CE3-CB 3.99Å; W120-H136 AromaticContact CE3-CD2 3.45Å; W120-H136 VanDerWaalsContact CE3-CD2 3.45Å; W120-H136 AromaticContact CE3-CG 3.68Å; W120-H136 AromaticContact CG-CD2 3.56Å; W120-H136 AromaticContact CG-CE1 3.86Å; W120-H136 AromaticContact CG-NE2 3.31Å; W120-H136 VanDerWaalsContact CG-NE2 3.31Å; W120-H136 HydrophobicContact CH2-CB 3.45Å; W120-H136 VanDerWaalsContact CH2-CB 3.45Å; W120-H136 AromaticContact CH2-CG 3.65Å; W120-H136 HydrophobicContact CZ2-CB 3.79Å; W120-H136 AromaticContact CZ2-CG 3.5Å; W120-H136 VanDerWaalsContact CZ2-CG 3.5Å; W120-H136 AromaticContact CZ2-ND1 3.53Å; W120-H136 HydrophobicContact CZ3-CB 3.56Å; W120-H136 AromaticContact CZ3-CD2 3.98Å; W120-H136 AromaticContact CZ3-CG 3.74Å; W120-H136 AromaticContact NE1-CE1 3.3Å; W120-H136 PolarHBondContact NE1-CE1 3.01Å; W120-H136 VanDerWaalsContact NE1-CE1 3.3Å; W120-H136 AromaticContact NE1-ND1 3.58Å; W120-H136 AromaticContact NE1-NE2 3.6Å; V132-H136 WeakPolarHBondContact O-CB 3.49Å; V132-H136 PolarHBondContact O-N 3.39Å; V133-H136 PolarHBondContact O-N 3.08Å; L134-H136 VanDerWaalsContact C-N 3.32Å; L134-H136 PolarHBondContact O-N 3.11Å; H136-Y138 VanDerWaalsContact C-N 3.34Å; H136-Y138 PolarHBondContact O-N 3.41Å; H136-S139 PolarHBondContact O-N 3.3Å; H136-T140 PolarHBondContact CE1-OG1 2.84Å; H136-T140 PolarHBondContact O-N 3.39Å; H136-T140 PolarHBondContact O-OG1 2.9Å; H136-T140 VanDerWaalsContact O-OG1 3.04Å
137I97Very high94.7Very high9 Ų942 Ų425%0.04621%0.21CC..Hα-helixtrans-60.9-44.6-178.1-66.2-64.3000110.7L14 I81 V133 L134 S139 T140 L141 V262L14-I137 HydrophobicContact CD1-CG1 4.19Å; L14-I137 HydrophobicContact CD2-CG1 4.25Å; I81-I137 HydrophobicContact CD1-CD1 4.26Å; I81-I137 HydrophobicContact CD1-CG2 4.01Å; V133-I137 HydrophobicContact CG1-CG1 4.47Å; V133-I137 WeakPolarHBondContact O-CG1 3.19Å; V133-I137 PolarHBondContact O-N 3.04Å; L134-I137 PolarHBondContact O-N 2.86Å; I137-S139 PolarHBondContact O-N 2.81Å; I137-T140 PolarHBondContact O-N 3.31Å; I137-L141 HydrophobicContact CG2-CD1 3.81Å; I137-L141 HydrophobicContact CG2-CG 4.33Å; I137-L141 WeakPolarHBondContact O-CB 3.43Å; I137-L141 WeakPolarHBondContact O-CG 3.35Å; I137-L141 PolarHBondContact O-N 3.35Å; I137-V262 HydrophobicContact CG2-CG1 4.48Å; I137-V262 HydrophobicContact CG2-CG2 4.34Å
138Y96.9Very high94.2Very high83 Ų8339 Ų3933%0.32520%0.201SC..Hα-helixtrans-60.5-43.1176175.7-105.3000112.6L134 H136 L141 N142 V262 Y292L134-Y138 VanDerWaalsContact O-CB 3.29Å; L134-Y138 WeakPolarHBondContact O-CB 3.39Å; L134-Y138 PolarHBondContact O-N 2.88Å; H136-Y138 VanDerWaalsContact C-N 3.34Å; H136-Y138 PolarHBondContact O-N 3.41Å; Y138-L141 PolarHBondContact O-N 3.04Å; Y138-N142 WeakPolarHBondContact CD1-ND2 3.44Å; Y138-N142 WeakPolarHBondContact CD2-ND2 3.44Å; Y138-N142 WeakPolarHBondContact CE1-ND2 3.44Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.4Å; Y138-N142 WeakPolarHBondContact O-CB 3.31Å; Y138-N142 PolarHBondContact O-N 3.19Å; Y138-N142 PolarHBondContact O-ND2 3.46Å; Y138-N142 PolarHBondContact OH-ND2 2.77Å; Y138-V262 HydrophobicContact CD2-CG2 4.18Å; Y138-Y292 HydrophobicContact CD1-CE1 4.45Å; Y138-Y292 HydrophobicContact CD2-CE1 4.34Å; Y138-Y292 AromaticContact CG-CE1 3.94Å; Y138-Y292 HydrophobicContact CG-CE1 3.94Å
139S96.5Very high93.1Very high58 Ų5839.6 Ų39.641%0.40621%0.208SC..Hα-helixtrans-63.3-45.7176.8-59.80000111.6D135 H136 I137 L141 N142 N143D135-S139 VanDerWaalsContact O-CB 3.32Å; D135-S139 WeakPolarHBondContact O-CB 3.37Å; D135-S139 PolarHBondContact O-N 3.33Å; D135-S139 PolarHBondContact O-OG 2.98Å; H136-S139 PolarHBondContact O-N 3.3Å; I137-S139 PolarHBondContact O-N 2.81Å; S139-L141 VanDerWaalsContact C-N 3.33Å; S139-L141 PolarHBondContact O-N 3.3Å; S139-N142 PolarHBondContact O-N 3Å; S139-N143 WeakPolarHBondContact O-CB 3.31Å; S139-N143 PolarHBondContact O-N 2.93Å; S139-N143 PolarHBondContact O-ND2 2.93Å
140T95.3Very high91.8Very high21 Ų2140.6 Ų40.613%0.12922%0.22CC..Hα-helixtrans-61.2-41.4177.5-58.40000111.7H136 I137 T144 L199H136-T140 PolarHBondContact CE1-OG1 2.84Å; H136-T140 PolarHBondContact O-N 3.39Å; H136-T140 PolarHBondContact O-OG1 2.9Å; H136-T140 VanDerWaalsContact O-OG1 3.04Å; I137-T140 PolarHBondContact O-N 3.31Å; T140-T144 WeakPolarHBondContact O-CB 3.46Å; T140-T144 PolarHBondContact O-N 3.14Å; T140-T144 PolarHBondContact O-OG1 3.41Å; T140-L199 HydrophobicContact CG2-CD1 3.63Å
141L94.1Very high90Very high1 Ų143 Ų431%0.00524%0.238CC..Hα-helixtrans-65.2-48.3176.7-73171.6000112.5F12 I137 Y138 S139 N143 T144 Y145 L199 F203 V262F12-L141 HydrophobicContact CB-CD1 3.64Å; F12-L141 HydrophobicContact CD1-CD1 4.17Å; F12-L141 HydrophobicContact CD1-CD2 3.95Å; F12-L141 HydrophobicContact CD2-CD1 3.67Å; F12-L141 HydrophobicContact CD2-CD2 3.58Å; F12-L141 HydrophobicContact CD2-CG 4.24Å; F12-L141 HydrophobicContact CE1-CD2 3.76Å; F12-L141 HydrophobicContact CE2-CD1 4.34Å; F12-L141 HydrophobicContact CE2-CD2 3.37Å; F12-L141 HydrophobicContact CE2-CG 4.44Å; F12-L141 HydrophobicContact CG-CD1 3.55Å; F12-L141 HydrophobicContact CG-CD2 3.85Å; F12-L141 HydrophobicContact CG-CG 4.37Å; F12-L141 HydrophobicContact CZ-CD2 3.45Å; F12-L141 VanDerWaalsContact CZ-CD2 3.45Å; I137-L141 HydrophobicContact CG2-CD1 3.81Å; I137-L141 HydrophobicContact CG2-CG 4.33Å; I137-L141 WeakPolarHBondContact O-CB 3.43Å; I137-L141 WeakPolarHBondContact O-CG 3.35Å; I137-L141 PolarHBondContact O-N 3.35Å; Y138-L141 PolarHBondContact O-N 3.04Å; S139-L141 VanDerWaalsContact C-N 3.33Å; S139-L141 PolarHBondContact O-N 3.3Å; L141-N143 VanDerWaalsContact C-N 3.32Å; L141-N143 PolarHBondContact O-N 2.74Å; L141-T144 PolarHBondContact O-N 3.35Å; L141-Y145 WeakPolarHBondContact O-CB 3.46Å; L141-Y145 PolarHBondContact O-N 2.69Å; L141-L199 HydrophobicContact CD2-CD1 4.41Å; L141-L199 HydrophobicContact CD2-CD2 3.58Å; L141-L199 HydrophobicContact CD2-CG 4.48Å; L141-F203 HydrophobicContact CD2-CE2 4.47Å; L141-F203 HydrophobicContact CD2-CZ 4.23Å; L141-V262 HydrophobicContact CD1-CG2 3.38Å
142N92.8Very high87.9Confident24 Ų2444.8 Ų44.813%0.12825%0.251CS..Hα-helixtrans-63.7-38.2178.6-78.4-46000112.6Y138 S139 Y145 S146Y138-N142 WeakPolarHBondContact CD1-ND2 3.44Å; Y138-N142 WeakPolarHBondContact CD2-ND2 3.44Å; Y138-N142 WeakPolarHBondContact CE1-ND2 3.44Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.4Å; Y138-N142 WeakPolarHBondContact O-CB 3.31Å; Y138-N142 PolarHBondContact O-N 3.19Å; Y138-N142 PolarHBondContact O-ND2 3.46Å; Y138-N142 PolarHBondContact OH-ND2 2.77Å; S139-N142 PolarHBondContact O-N 3Å; N142-Y145 PolarHBondContact O-N 3.4Å; N142-S146 VanDerWaalsContact O-CB 3.29Å; N142-S146 WeakPolarHBondContact O-CB 3.48Å; N142-S146 PolarHBondContact O-N 3.37Å; N142-S146 PolarHBondContact O-OG 3.01Å
143N92.9Very high85.4Confident99 Ų9950.5 Ų50.553%0.52928%0.275SS..Hα-helixtrans-64-45.1174.7-70.3-20.9000110.7S139 L141 Y145 S146 N147S139-N143 WeakPolarHBondContact O-CB 3.31Å; S139-N143 PolarHBondContact O-N 2.93Å; S139-N143 PolarHBondContact O-ND2 2.93Å; L141-N143 VanDerWaalsContact C-N 3.32Å; L141-N143 PolarHBondContact O-N 2.74Å; N143-Y145 PolarHBondContact O-N 3.08Å; N143-S146 PolarHBondContact O-N 3.17Å; N143-N147 WeakPolarHBondContact O-CB 3.32Å; N143-N147 PolarHBondContact O-N 3.3Å; N143-N147 PolarHBondContact O-ND2 3.11Å; N143-N147 VanDerWaalsContact O-ND2 3.13Å
144T91.8Very high82.4Confident9 Ų956.6 Ų56.66%0.05531%0.312CS..Hα-helixtrans-61.6-45.2177.1-57.40000111.5T140 L141 N147 L148 L199 K200 F203T140-T144 WeakPolarHBondContact O-CB 3.46Å; T140-T144 PolarHBondContact O-N 3.14Å; T140-T144 PolarHBondContact O-OG1 3.41Å; L141-T144 PolarHBondContact O-N 3.35Å; T144-N147 PolarHBondContact O-N 2.99Å; T144-L148 WeakPolarHBondContact O-CG 3.47Å; T144-L148 PolarHBondContact O-N 3.47Å; T144-L199 HydrophobicContact CG2-CB 4.03Å; T144-K200 HydrophobicContact CG2-CG 3.62Å; T144-F203 HydrophobicContact CG2-CD2 4.25Å; T144-F203 HydrophobicContact CG2-CE2 4.08Å
145Y90Very high79.4Confident20 Ų2063.3 Ų63.38%0.07835%0.348CS..Hα-helixtrans-64.1-44.5178.4-172.7-101.4000112.4L141 N142 N143 N147 L148 S149 F203 L257 S258 P260L141-Y145 WeakPolarHBondContact O-CB 3.46Å; L141-Y145 PolarHBondContact O-N 2.69Å; N142-Y145 PolarHBondContact O-N 3.4Å; N143-Y145 PolarHBondContact O-N 3.08Å; Y145-N147 VanDerWaalsContact C-N 3.3Å; Y145-N147 PolarHBondContact O-N 2.91Å; Y145-L148 WeakPolarHBondContact O-CB 3.23Å; Y145-L148 PolarHBondContact O-N 3Å; Y145-S149 PolarHBondContact O-N 3.18Å; Y145-S149 VanDerWaalsContact O-N 3.16Å; Y145-F203 AromaticContact CD2-CD1 3.73Å; Y145-F203 HydrophobicContact CD2-CD1 3.73Å; Y145-F203 AromaticContact CD2-CE1 3.65Å; Y145-F203 HydrophobicContact CD2-CE1 3.65Å; Y145-F203 HydrophobicContact CD2-CG 4.21Å; Y145-F203 HydrophobicContact CD2-CZ 4.07Å; Y145-F203 HydrophobicContact CE2-CD1 4.24Å; Y145-F203 HydrophobicContact CE2-CE1 4.38Å; Y145-F203 HydrophobicContact CG-CE1 4.45Å; Y145-L257 WeakPolarHBondContact OH-CB 3.35Å; Y145-S258 PolarHBondContact OH-O 3.1Å; Y145-P260 HydrophobicContact CD1-CG 4.45Å; Y145-P260 HydrophobicContact CD2-CG 4.48Å; Y145-P260 HydrophobicContact CG-CG 4.08Å
146S88.6Confident76.4Confident53 Ų5367.9 Ų67.937%0.37137%0.371SS..Hα-helixtrans-66.6-32.2178.4-54.60000112.5N142 N143 S149 N150N142-S146 VanDerWaalsContact O-CB 3.29Å; N142-S146 WeakPolarHBondContact O-CB 3.48Å; N142-S146 PolarHBondContact O-N 3.37Å; N142-S146 PolarHBondContact O-OG 3.01Å; N143-S146 PolarHBondContact O-N 3.17Å; S146-S149 WeakPolarHBondContact CA-OG 3.41Å; S146-S149 PolarHBondContact O-N 2.95Å; S146-S149 PolarHBondContact O-OG 3.4Å; S146-N150 VanDerWaalsContact O-CG 3.29Å; S146-N150 PolarHBondContact O-N 3.21Å; S146-N150 PolarHBondContact O-ND2 2.91Å
147N87.3Confident73.3Confident101 Ų10173 Ų7354%0.5440%0.4SS..Hα-helixtrans-70.5-33.5175.8-72.3-24.8000112.3N143 T144 Y145 S149 S151N143-N147 WeakPolarHBondContact O-CB 3.32Å; N143-N147 PolarHBondContact O-N 3.3Å; N143-N147 PolarHBondContact O-ND2 3.11Å; N143-N147 VanDerWaalsContact O-ND2 3.13Å; T144-N147 PolarHBondContact O-N 2.99Å; Y145-N147 VanDerWaalsContact C-N 3.3Å; Y145-N147 PolarHBondContact O-N 2.91Å; N147-S149 VanDerWaalsContact C-N 3.33Å; N147-S151 PolarHBondContact O-N 3.22Å
148L82Confident70.4Confident38 Ų3878.5 Ų78.520%0.19944%0.439CS..Hα-helixtrans-68.2-33.6172.9-72.3164.3000111.8T144 Y145 S151 K200 F203T144-L148 WeakPolarHBondContact O-CG 3.47Å; T144-L148 PolarHBondContact O-N 3.47Å; Y145-L148 WeakPolarHBondContact O-CB 3.23Å; Y145-L148 PolarHBondContact O-N 3Å; L148-S151 PolarHBondContact O-OG 3.18Å; L148-S151 VanDerWaalsContact O-OG 3.13Å; L148-K200 HydrophobicContact CD2-CG 4.42Å; L148-F203 HydrophobicContact CD1-CB 3.69Å; L148-F203 HydrophobicContact CD1-CD2 3.7Å; L148-F203 HydrophobicContact CD1-CG 4Å
149S71.3Confident67.1Low36 Ų3681.1 Ų81.125%0.25246%0.464SS..Hα-helixtrans-72.2-27.9177.857.70000113.9Y145 S146 N147Y145-S149 PolarHBondContact O-N 3.18Å; Y145-S149 VanDerWaalsContact O-N 3.16Å; S146-S149 WeakPolarHBondContact CA-OG 3.41Å; S146-S149 PolarHBondContact O-N 2.95Å; S146-S149 PolarHBondContact O-OG 3.4Å; N147-S149 VanDerWaalsContact C-N 3.33Å
150N69.7Low64.1Low114 Ų11483.1 Ų83.161%0.6148%0.475SS*.Hα-helixtrans-87.4-16.4-176.4-67.6-21.4000114S146 D152S146-N150 VanDerWaalsContact O-CG 3.29Å; S146-N150 PolarHBondContact O-N 3.21Å; S146-N150 PolarHBondContact O-ND2 2.91Å; N150-D152 VanDerWaalsContact C-N 3.31Å; N150-D152 PolarHBondContact O-N 2.78Å
151S58.8Low61Low74 Ų7493.1 Ų93.152%0.51751%0.511SS..THydrogen-bonded Turntrans-78-8.7-175.448.40000115.2N147 L148N147-S151 PolarHBondContact O-N 3.22Å; L148-S151 PolarHBondContact O-OG 3.18Å; L148-S151 VanDerWaalsContact O-OG 3.13Å
152D52.4Low57.8Low83 Ų83103 Ų10344%0.44455%0.554SS.*THydrogen-bonded Turntrans-92.52.8-178.7-71.6-17.2000113.8N150 Y246 R248N150-D152 VanDerWaalsContact C-N 3.31Å; N150-D152 PolarHBondContact O-N 2.78Å; D152-Y246 PolarHBondContact OD2-OH 3.15Å; D152-R248 IonicContact OD1-NH2 3.24Å; D152-R248 PolarHBondContact OD1-NH2 3.5Å; D152-R248 IonicContact OD2-CZ 3.31Å; D152-R248 VanDerWaalsContact OD2-CZ 3.31Å; D152-R248 IonicContact OD2-NE 2.8Å; D152-R248 PolarHBondContact OD2-NE 3.02Å; D152-R248 IonicContact OD2-NH2 3Å; D152-R248 PolarHBondContact OD2-NH2 3.27Å
153E44.8Very low54.9Low158 Ų158111.7 Ų111.774%0.73859%0.59SS**  trans-105.18.1-175.8-76-121.6147.200115.9
154T36Very low51.6Low130 Ų130113.7 Ų113.780%0.79861%0.606SS**  trans-103.992.3172550000111.4
155D34.5Very low48.7Very low140 Ų140119.1 Ų119.175%0.74964%0.643SS**  trans-47.4137.7158.8-86.5-44.2000113
156I35.2Very low45.7Very low136 Ų136123.9 Ų123.970%0.69768%0.679SS**SBend44.1121.6124.6-50.1170.8000117.2
157D31.8Very low43Very low147 Ų147127.8 Ų127.879%0.78670%0.7SS**  trans68.179.8163.9-65.4-22.2000118.3
158S35.9Very low40.2Very low124 Ų124129 Ų12987%0.86771%0.714SS**  trans-175.6107.3135.524.50000114
159V27.8Very low37.6Very low138 Ų138130.9 Ų130.984%0.83674%0.742SS**  trans-87.1145.4146.81740000105.3
160P32.4Very low35.7Very low100 Ų100134.4 Ų134.465%0.64977%0.767SS**  cis-145.2-174.519.724.83.1000117.3
161R30Very low33.8Very low231 Ų231137.4 Ų137.487%0.87278%0.775SS**  trans82.4113.7141.6-87.8166.6-166.2-142.44.1120
162K28.1Very low32.8Very low209 Ų209138.4 Ų138.491%0.90977%0.768SS**  trans19.2105.4144.8-79.7-177.1174.3179.30116.2
163K30.7Very low31.9Very low205 Ų205137.6 Ų137.689%0.89177%0.767SS**  trans-134.1115144.5-85.9-176.8178173.80109.5
164T25.5Very low31.5Very low141 Ų141135.7 Ų135.787%0.86577%0.766SS**  trans-60.7124161.644.50000109
165C29.3Very low31.4Very low124 Ų124135.4 Ų135.484%0.83876%0.76SS**  trans-143.2124.1158.4-114.70000109.5
166S27.7Very low31.2Very low120 Ų120139 Ų13984%0.83976%0.763SS**  trans-70.4130.2179.541.70000112.7
167V31.5Very low31.2Very low134 Ų134140 Ų14081%0.81277%0.769SS**  trans-138.8139.8163.6-170.30000108.4
168P29.1Very low31.2Very low128 Ų128139.1 Ų139.183%0.83176%0.763SS**  trans-82.6128.2-163.4-4.222.5000113.7
169G26.3Very low31.1Very low76 Ų76140.4 Ų140.478%0.78476%0.76SS**  trans65.869.2132.300000120
170S31.7Very low31.3Very low110 Ų110142.6 Ų142.677%0.76976%0.761SS**  trans-112.179.7141.21780000107
171F29.9Very low31.5Very low178 Ų178144 Ų14478%0.78176%0.764SS**  trans-91.6105.5176.3-146-92.8000106.6P173F171-P173 VanDerWaalsContact O-CD 3.26Å; F171-P173 WeakPolarHBondContact O-CD 3.39Å
172Y37.4Very low32Very low94 Ų94140 Ų14037%0.36975%0.754SS.*  trans-60.1119.8156.7-72.9-80.3000106.3T174 D196Y172-T174 VanDerWaalsContact C-N 3.3Å; Y172-T174 PolarHBondContact O-N 3.33Å; Y172-D196 PolarHBondContact OH-OD1 3.16Å
173P34.6Very low32.4Very low67 Ų67138.1 Ų138.144%0.43575%0.749SS.*  trans-68.899.7167.2-5.923000105.8F171 D175F171-P173 VanDerWaalsContact O-CD 3.26Å; F171-P173 WeakPolarHBondContact O-CD 3.39Å; P173-D175 PolarHBondContact O-N 3.25Å
174T35.5Very low32.4Very low117 Ų117136 Ų13672%0.71874%0.742SS**  trans-62.485.3150.242.30000106Y172 R176Y172-T174 VanDerWaalsContact C-N 3.3Å; Y172-T174 PolarHBondContact O-N 3.33Å; T174-R176 VanDerWaalsContact C-N 3.3Å; T174-R176 PolarHBondContact O-N 2.77Å
175D34.6Very low32.8Very low125 Ų125133 Ų13367%0.66872%0.724SS**  trans-65.797.6171.1-97.2-26.8000108P173 L177P173-D175 PolarHBondContact O-N 3.25Å; D175-L177 PolarHBondContact O-N 2.97Å
176R31Very low33.4Very low216 Ų216134.5 Ų134.582%0.81572%0.716SS**  trans10.178.2143.9-70.6-176.5-176.5-175.21.2114.7T174 I178T174-R176 VanDerWaalsContact C-N 3.3Å; T174-R176 PolarHBondContact O-N 2.77Å; R176-I178 VanDerWaalsContact C-N 3.26Å; R176-I178 HydrophobicContact CB-CD1 4.48Å; R176-I178 HydrophobicContact CB-CG1 4.09Å; R176-I178 PolarHBondContact O-N 3.23Å
177L34.5Very low34.2Very low155 Ų155135 Ų13581%0.81271%0.709SS**  trans-75.692141.7-74.6170.3000106.4D175 N179D175-L177 PolarHBondContact O-N 2.97Å; L177-N179 PolarHBondContact O-N 2.98Å
178I32.6Very low35.4Very low130 Ų130131.5 Ų131.567%0.66769%0.69SS**  trans-70103.5171.2-64.2165.4000106.8R176R176-I178 VanDerWaalsContact C-N 3.26Å; R176-I178 HydrophobicContact CB-CD1 4.48Å; R176-I178 HydrophobicContact CB-CG1 4.09Å; R176-I178 PolarHBondContact O-N 3.23Å
179N33.1Very low37.2Very low151 Ų151127.8 Ų127.881%0.80767%0.667SS**  -161124.8125.3-87.6-24.1000107.1L177 D181L177-N179 PolarHBondContact O-N 2.98Å; N179-D181 PolarHBondContact O-N 3.37Å
180E31.8Very low39.9Very low184 Ų184128.1 Ų128.186%0.8665%0.65SS**  trans-66113.8180-63.1177.4154.200108.8
181D36.1Very low42.7Very low130 Ų130128.1 Ų128.170%0.69564%0.638SS**  trans-176.1123.6149.3-86.7-28.7000110.9N179 T185N179-D181 PolarHBondContact O-N 3.37Å; D181-T185 VanDerWaalsContact O-CB 3.31Å; D181-T185 WeakPolarHBondContact O-CB 3.49Å; D181-T185 PolarHBondContact O-OG1 2.89Å
182H40.2Very low45.6Very low145 Ų145120.3 Ų120.367%0.67161%0.608SS**  trans68124167.9-66.2-69.5000120Q184 T185 K186H182-Q184 PolarHBondContact O-N 2.78Å; H182-T185 WeakPolarHBondContact CB-OG1 3.09Å; H182-T185 WeakPolarHBondContact O-CA 3.33Å; H182-T185 WeakPolarHBondContact O-CB 3.48Å; H182-T185 PolarHBondContact O-N 2.87Å; H182-T185 PolarHBondContact O-OG1 2.88Å; H182-T185 VanDerWaalsContact O-OG1 3.06Å; H182-K186 PolarHBondContact O-N 2.74Å
183E37.6Very low48.4Very low170 Ų170117 Ų11779%0.79460%0.596SS**Hα-helixtrans-56.1-30168.5-86.2-163.9147.500113.4T185 K186 L187E183-T185 PolarHBondContact O-N 2.89Å; E183-K186 WeakPolarHBondContact O-CB 3.36Å; E183-K186 PolarHBondContact O-N 3.03Å; E183-K186 VanDerWaalsContact O-N 3.17Å; E183-L187 PolarHBondContact O-N 2.83Å; E183-L187 VanDerWaalsContact O-N 3.1Å
184Q30.8Very low51.3Low162 Ų162114.6 Ų114.676%0.75758%0.582SS**Hα-helixtrans-59.5-38.2172-131.293.930.700111.3H182 L187 S188H182-Q184 PolarHBondContact O-N 2.78Å; Q184-L187 PolarHBondContact O-N 3.13Å; Q184-S188 PolarHBondContact O-N 3.14Å
185T33.1Very low54.1Low78 Ų78110.9 Ų110.948%0.47956%0.559SS.*Hα-helixtrans-67-38.2176.7-31.10000111D181 H182 E183 L187 S188 S189D181-T185 VanDerWaalsContact O-CB 3.31Å; D181-T185 WeakPolarHBondContact O-CB 3.49Å; D181-T185 PolarHBondContact O-OG1 2.89Å; H182-T185 WeakPolarHBondContact CB-OG1 3.09Å; H182-T185 WeakPolarHBondContact O-CA 3.33Å; H182-T185 WeakPolarHBondContact O-CB 3.48Å; H182-T185 PolarHBondContact O-N 2.87Å; H182-T185 PolarHBondContact O-OG1 2.88Å; H182-T185 VanDerWaalsContact O-OG1 3.06Å; E183-T185 PolarHBondContact O-N 2.89Å; T185-L187 VanDerWaalsContact C-N 3.34Å; T185-L187 PolarHBondContact O-N 2.89Å; T185-S188 WeakPolarHBondContact CA-OG 3.35Å; T185-S188 PolarHBondContact O-N 3.36Å; T185-S188 PolarHBondContact O-OG 3.47Å; T185-S189 PolarHBondContact O-N 2.93Å; T185-S189 VanDerWaalsContact O-N 3.11Å
186K43.4Very low56.8Low154 Ų154108 Ų10867%0.6754%0.544SS*.Hα-helixtrans-64.3-31.8173.3-84.1-179177.5175.40113.8H182 E183 S189H182-K186 PolarHBondContact O-N 2.74Å; E183-K186 WeakPolarHBondContact O-CB 3.36Å; E183-K186 PolarHBondContact O-N 3.03Å; E183-K186 VanDerWaalsContact O-N 3.17Å; K186-S189 PolarHBondContact O-OG 3.33Å
187L43.1Very low59.7Low131 Ų131104.4 Ų104.469%0.68654%0.54SS*.Hα-helixtrans-79.7-38.4177-155.872.2000111.2E183 Q184 T185 S189 L190 E191E183-L187 PolarHBondContact O-N 2.83Å; E183-L187 VanDerWaalsContact O-N 3.1Å; Q184-L187 PolarHBondContact O-N 3.13Å; T185-L187 VanDerWaalsContact C-N 3.34Å; T185-L187 PolarHBondContact O-N 2.89Å; L187-S189 PolarHBondContact O-N 3.29Å; L187-L190 PolarHBondContact O-N 3.28Å; L187-L190 VanDerWaalsContact O-N 3.11Å; L187-E191 PolarHBondContact O-N 3.01Å
188S56.2Low62.5Low60 Ų6098.8 Ų98.842%0.4251%0.508SS..Hα-helixtrans-61.9-26.7174.876.60000113.5R105 Q184 T185R105-S188 PolarHBondContact NH1-O 2.51Å; Q184-S188 PolarHBondContact O-N 3.14Å; T185-S188 WeakPolarHBondContact CA-OG 3.35Å; T185-S188 PolarHBondContact O-N 3.36Å; T185-S188 PolarHBondContact O-OG 3.47Å
189S67.3Low65.4Low51 Ų5192.8 Ų92.836%0.35748%0.477SS..THydrogen-bonded Turntrans-77.7-19.117767.80000113.7T185 K186 L187T185-S189 PolarHBondContact O-N 2.93Å; T185-S189 VanDerWaalsContact O-N 3.11Å; K186-S189 PolarHBondContact O-OG 3.33Å; L187-S189 PolarHBondContact O-N 3.29Å
190L83.7Confident68.2Low82 Ų8290 Ų9043%0.42946%0.458SS..THydrogen-bonded Turntrans-92.6-17178.2-68173.6000113.2L187 G192 M193 T195L187-L190 PolarHBondContact O-N 3.28Å; L187-L190 VanDerWaalsContact O-N 3.11Å; L190-G192 PolarHBondContact O-N 3.18Å; L190-M193 VanDerWaalsContact O-CB 3.26Å; L190-M193 WeakPolarHBondContact O-CB 3.34Å; L190-M193 WeakPolarHBondContact O-CG 3.35Å; L190-M193 PolarHBondContact O-N 2.93Å; L190-T195 HydrophobicContact CD2-CG2 4.14Å
191E89.4Confident71.1Confident111 Ų11183.6 Ų83.652%0.51943%0.434SS..THydrogen-bonded Turntrans-57.4134.7173.5-161.5-170.8-179.300109.8R105 I109 L187 M193R105-E191 VanDerWaalsContact CD-O 3.29Å; R105-E191 WeakPolarHBondContact CD-O 3.32Å; R105-E191 WeakPolarHBondContact CG-O 3.37Å; R105-E191 PolarHBondContact NH1-O 3.42Å; I109-E191 HydrophobicContact CD1-CB 4.03Å; I109-E191 HydrophobicContact CD1-CG 4.16Å; I109-E191 VanDerWaalsContact CD1-O 3.24Å; I109-E191 WeakPolarHBondContact CD1-O 3.19Å; I109-E191 HydrophobicContact CG1-CB 4.35Å; I109-E191 HydrophobicContact CG1-CG 4Å; I109-E191 HydrophobicContact CG2-CG 4.38Å; L187-E191 PolarHBondContact O-N 3.01Å; E191-M193 VanDerWaalsContact C-N 3.27Å; E191-M193 PolarHBondContact O-N 2.86Å
192G91.6Very high73.7Confident13 Ų1377.7 Ų77.713%0.13440%0.402CS..THydrogen-bonded Turntrans77.3-0.1-175.300000115.7A116 V117 L190A116-G192 CarbonylContact C-O 3.58Å; A116-G192 VanDerWaalsContact CA-O 3.31Å; A116-G192 WeakPolarHBondContact CA-O 3.32Å; V117-G192 PolarHBondContact N-O 3.22Å; L190-G192 PolarHBondContact O-N 3.18Å
193M96.5Very high76.1Confident24 Ų2471.2 Ų71.212%0.11837%0.372CS..BIsolated β-bridgetrans-92.3140.9175.1-58.1-66.9-64.400111.3V101 R105 V117 N119 L190 E191 T195V101-M193 HydrophobicContact CG1-CE 4.16Å; V101-M193 HydrophobicContact CG1-SD 4.28Å; R105-M193 HydrophobicContact CB-SD 4.33Å; R105-M193 VanDerWaalsContact CD-SD 3.52Å; R105-M193 HydrophobicContact CG-CG 4.22Å; R105-M193 HydrophobicContact CG-SD 3.81Å; V117-M193 HydrophobicContact CG1-CE 4.14Å; V117-M193 HydrophobicContact CG1-SD 3.31Å; V117-M193 WeakPolarHBondContact CG1-SD 3.49Å; V117-M193 CarbonylContact O-C 3.54Å; V117-M193 WeakPolarHBondContact O-CA 3.42Å; N119-M193 HydrophobicContact CB-CE 3.99Å; L190-M193 VanDerWaalsContact O-CB 3.26Å; L190-M193 WeakPolarHBondContact O-CB 3.34Å; L190-M193 WeakPolarHBondContact O-CG 3.35Å; L190-M193 PolarHBondContact O-N 2.93Å; E191-M193 VanDerWaalsContact C-N 3.27Å; E191-M193 PolarHBondContact O-N 2.86Å; M193-T195 HydrophobicContact CB-CG2 3.98Å; M193-T195 PolarHBondContact O-N 3.33Å
194A95.9Very high78.3Confident18 Ų1867.9 Ų67.915%0.14936%0.356CS..  trans-76.263.1177.500000111.4I81 A116 V117 W198I81-A194 HydrophobicContact CD1-CB 4.21Å; I81-A194 HydrophobicContact CG1-CB 4.22Å; I81-A194 HydrophobicContact CG2-CB 4.38Å; A116-A194 HydrophobicContact CB-CB 3.97Å; V117-A194 PolarHBondContact O-N 2.89Å; A194-W198 HydrophobicContact CB-CE3 4.09Å; A194-W198 HydrophobicContact CB-CZ3 4.29Å
195T93.8Very high80.3Confident39 Ų3966 Ų6624%0.23935%0.347CS..  trans-77.9163.6178.659.90000111.4L190 M193 L197 W198 L199L190-T195 HydrophobicContact CD2-CG2 4.14Å; M193-T195 HydrophobicContact CB-CG2 3.98Å; M193-T195 PolarHBondContact O-N 3.33Å; T195-L197 PolarHBondContact O-N 3.38Å; T195-W198 PolarHBondContact O-N 3.1Å; T195-W198 PolarHBondContact OG1-N 3.3Å; T195-L199 WeakPolarHBondContact O-CG 3.47Å; T195-L199 PolarHBondContact O-N 3.02Å
196D91.1Very high82.5Confident65 Ų6562.5 Ų62.535%0.34833%0.326SS..Hα-helixtrans-55.6-33.6173.3-64.8-3.1000112.4Y172 K200Y172-D196 PolarHBondContact OH-OD1 3.16Å; D196-K200 VanDerWaalsContact O-CG 3.26Å; D196-K200 WeakPolarHBondContact O-CG 3.5Å; D196-K200 PolarHBondContact O-N 2.86Å
197L91.3Very high83.8Confident140 Ų14056.9 Ų56.973%0.73330%0.303SS*.Hα-helixtrans-68.3-44.5174.6-80.689.4000111.8T195 L199 K200 S201T195-L197 PolarHBondContact O-N 3.38Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-K200 PolarHBondContact O-N 2.85Å; L197-S201 PolarHBondContact O-N 3.34Å
198W94.4Very high85.1Confident36 Ų3654.3 Ų54.314%0.13630%0.296CS..Hα-helixtrans-61.7-44.3177-177.485.2000110.9F12 G80 I81 W114 A116 A194 T195 K200 S201 C202F12-W198 HydrophobicContact CE1-CH2 4.2Å; F12-W198 AromaticContact CE1-CZ3 3.92Å; F12-W198 HydrophobicContact CE1-CZ3 3.92Å; G80-W198 WeakPolarHBondContact O-CH2 3.49Å; I81-W198 HydrophobicContact CD1-CZ3 4.27Å; I81-W198 HydrophobicContact CG1-CH2 4.22Å; I81-W198 HydrophobicContact CG1-CZ3 3.92Å; W114-W198 WeakPolarHBondContact O-CZ2 3.49Å; A116-W198 HydrophobicContact CB-CD2 3.68Å; A116-W198 VanDerWaalsContact CB-CE2 3.44Å; A116-W198 HydrophobicContact CB-CE3 3.93Å; A116-W198 HydrophobicContact CB-CG 4.34Å; A116-W198 HydrophobicContact CB-CH2 3.79Å; A116-W198 HydrophobicContact CB-CZ2 3.51Å; A116-W198 HydrophobicContact CB-CZ3 3.98Å; A194-W198 HydrophobicContact CB-CE3 4.09Å; A194-W198 HydrophobicContact CB-CZ3 4.29Å; T195-W198 PolarHBondContact O-N 3.1Å; T195-W198 PolarHBondContact OG1-N 3.3Å; W198-K200 VanDerWaalsContact C-N 3.34Å; W198-K200 PolarHBondContact O-N 3.47Å; W198-S201 WeakPolarHBondContact CA-OG 3.39Å; W198-S201 PolarHBondContact O-N 2.74Å; W198-S201 VanDerWaalsContact O-N 3.1Å; W198-S201 PolarHBondContact O-OG 2.73Å; W198-C202 PolarHBondContact O-N 3.4Å; W198-C202 PolarHBondContact O-SG 3.49Å; W198-C202 VanDerWaalsContact O-SG 3.38Å
199L93.9Very high85.6Confident5 Ų554 Ų543%0.02629%0.289CS..Hα-helixtrans-59.7-41.8175.3-67.7-179.4000112.5F12 I81 T140 L141 T144 T195 L197 C202 F203F12-L199 HydrophobicContact CE1-CD2 3.92Å; F12-L199 HydrophobicContact CZ-CD2 4.16Å; I81-L199 HydrophobicContact CD1-CD2 4.23Å; T140-L199 HydrophobicContact CG2-CD1 3.63Å; L141-L199 HydrophobicContact CD2-CD1 4.41Å; L141-L199 HydrophobicContact CD2-CD2 3.58Å; L141-L199 HydrophobicContact CD2-CG 4.48Å; T144-L199 HydrophobicContact CG2-CB 4.03Å; T195-L199 WeakPolarHBondContact O-CG 3.47Å; T195-L199 PolarHBondContact O-N 3.02Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L199-C202 WeakPolarHBondContact O-CB 3.34Å; L199-C202 PolarHBondContact O-N 3.27Å; L199-F203 WeakPolarHBondContact O-CD2 3.43Å
200K91.8Very high85.5Confident93 Ų9352.5 Ų52.540%0.40428%0.278SS..Hα-helixtrans-62.5-42.5173.5-72.6172.3-175.1-178.30111.9T144 L148 D196 L197 W198 C202 F203 H204T144-K200 HydrophobicContact CG2-CG 3.62Å; L148-K200 HydrophobicContact CD2-CG 4.42Å; D196-K200 VanDerWaalsContact O-CG 3.26Å; D196-K200 WeakPolarHBondContact O-CG 3.5Å; D196-K200 PolarHBondContact O-N 2.86Å; L197-K200 PolarHBondContact O-N 2.85Å; W198-K200 VanDerWaalsContact C-N 3.34Å; W198-K200 PolarHBondContact O-N 3.47Å; K200-C202 VanDerWaalsContact C-N 3.31Å; K200-C202 PolarHBondContact O-N 2.89Å; K200-F203 PolarHBondContact O-N 2.84Å; K200-F203 VanDerWaalsContact O-N 3.16Å; K200-H204 PolarHBondContact O-CD2 3.15Å; K200-H204 VanDerWaalsContact O-CD2 3.3Å; K200-H204 PolarHBondContact O-N 3.42Å
201S91.2Very high84.2Confident49 Ų4953 Ų5334%0.34328%0.281SS..Hα-helixtrans-62.3-35.7177.563.80000113.4L197 W198 F203 H204 H205L197-S201 PolarHBondContact O-N 3.34Å; W198-S201 WeakPolarHBondContact CA-OG 3.39Å; W198-S201 PolarHBondContact O-N 2.74Å; W198-S201 VanDerWaalsContact O-N 3.1Å; W198-S201 PolarHBondContact O-OG 2.73Å; S201-F203 PolarHBondContact O-N 3.39Å; S201-H204 PolarHBondContact O-N 3.12Å; S201-H204 VanDerWaalsContact O-N 3.13Å; S201-H205 PolarHBondContact O-CD2 2.85Å; S201-H205 VanDerWaalsContact O-CD2 3.3Å
202C92.2Very high82.2Confident5 Ų551.8 Ų51.83%0.03428%0.281CS..Hα-helixtrans-57.2-37.7174.7-70.20000112.4F12 V78 W198 L199 K200F12-C202 HydrophobicContact CE1-CB 4.17Å; F12-C202 HydrophobicContact CE2-CB 4.48Å; F12-C202 HydrophobicContact CZ-CB 3.55Å; V78-C202 HydrophobicContact CB-CB 4.46Å; V78-C202 VanDerWaalsContact O-CB 3.25Å; V78-C202 WeakPolarHBondContact O-CB 3.46Å; V78-C202 PolarHBondContact O-SG 3.3Å; V78-C202 VanDerWaalsContact O-SG 3.36Å; W198-C202 PolarHBondContact O-N 3.4Å; W198-C202 PolarHBondContact O-SG 3.49Å; W198-C202 VanDerWaalsContact O-SG 3.38Å; L199-C202 WeakPolarHBondContact O-CB 3.34Å; L199-C202 PolarHBondContact O-N 3.27Å; K200-C202 VanDerWaalsContact C-N 3.31Å; K200-C202 PolarHBondContact O-N 2.89Å
203F89.5Confident79.5Confident9 Ų957.5 Ų57.54%0.03931%0.309CS..Hα-helixtrans-78-26.7178.7-64.8-62.9000113.3P10 F12 L141 T144 Y145 L148 L199 K200 S201 H205 L206 P260P10-F203 HydrophobicContact CB-CE1 4.35Å; F12-F203 HydrophobicContact CD2-CZ 4.5Å; F12-F203 AromaticContact CE2-CE1 3.78Å; F12-F203 HydrophobicContact CE2-CE1 3.78Å; F12-F203 HydrophobicContact CE2-CE2 4.26Å; F12-F203 AromaticContact CE2-CZ 3.58Å; F12-F203 HydrophobicContact CE2-CZ 3.58Å; F12-F203 HydrophobicContact CZ-CZ 4.27Å; L141-F203 HydrophobicContact CD2-CE2 4.47Å; L141-F203 HydrophobicContact CD2-CZ 4.23Å; T144-F203 HydrophobicContact CG2-CD2 4.25Å; T144-F203 HydrophobicContact CG2-CE2 4.08Å; Y145-F203 AromaticContact CD2-CD1 3.73Å; Y145-F203 HydrophobicContact CD2-CD1 3.73Å; Y145-F203 AromaticContact CD2-CE1 3.65Å; Y145-F203 HydrophobicContact CD2-CE1 3.65Å; Y145-F203 HydrophobicContact CD2-CG 4.21Å; Y145-F203 HydrophobicContact CD2-CZ 4.07Å; Y145-F203 HydrophobicContact CE2-CD1 4.24Å; Y145-F203 HydrophobicContact CE2-CE1 4.38Å; Y145-F203 HydrophobicContact CG-CE1 4.45Å; L148-F203 HydrophobicContact CD1-CB 3.69Å; L148-F203 HydrophobicContact CD1-CD2 3.7Å; L148-F203 HydrophobicContact CD1-CG 4Å; L199-F203 WeakPolarHBondContact O-CD2 3.43Å; K200-F203 PolarHBondContact O-N 2.84Å; K200-F203 VanDerWaalsContact O-N 3.16Å; S201-F203 PolarHBondContact O-N 3.39Å; F203-H205 PolarHBondContact O-N 3.33Å; F203-L206 HydrophobicContact CD1-CD1 3.88Å; F203-L206 WeakPolarHBondContact O-CB 3.43Å; F203-L206 PolarHBondContact O-N 2.85Å; F203-P260 HydrophobicContact CE1-CB 4.08Å; F203-P260 HydrophobicContact CE1-CG 4.38Å; F203-P260 HydrophobicContact CZ-CB 4.27Å; F203-P260 HydrophobicContact CZ-CG 4.28Å
204H84.1Confident76.4Confident101 Ų10163 Ų6347%0.46834%0.338SS..Hα-helixtrans-64.4-26.2174.8-76.5-57.9000113.2K200 S201 L206 D207K200-H204 PolarHBondContact O-CD2 3.15Å; K200-H204 VanDerWaalsContact O-CD2 3.3Å; K200-H204 PolarHBondContact O-N 3.42Å; S201-H204 PolarHBondContact O-N 3.12Å; S201-H204 VanDerWaalsContact O-N 3.13Å; H204-L206 PolarHBondContact O-N 3.04Å; H204-D207 IonicContact ND1-OD2 3.27Å; H204-D207 PolarHBondContact ND1-OD2 3.45Å; H204-D207 VanDerWaalsContact ND1-OD2 3.11Å; H204-D207 WeakPolarHBondContact O-CB 3.46Å; H204-D207 PolarHBondContact O-N 3.37Å
205H73.7Confident73.6Confident122 Ų12269 Ų6957%0.56537%0.366SS*.Hα-helixtrans-60.5-27.6171.2-70.4-73.8000112.4S201 F203 D207 S208S201-H205 PolarHBondContact O-CD2 2.85Å; S201-H205 VanDerWaalsContact O-CD2 3.3Å; F203-H205 PolarHBondContact O-N 3.33Å; H205-D207 VanDerWaalsContact C-N 3.33Å; H205-S208 PolarHBondContact O-N 3.36Å; H205-S208 PolarHBondContact O-OG 3.01Å
206L79.2Confident70.4Confident4 Ų476.2 Ų76.22%0.02139%0.394CS..Hα-helixtrans-68.1-32.5174.6-60.1168000112.1I8 P10 V76 V78 F203 H204 S208 L209 T210 L257I8-L206 HydrophobicContact CG2-CD2 4.1Å; P10-L206 HydrophobicContact CB-CD1 3.96Å; P10-L206 HydrophobicContact CG-CD1 3.54Å; P10-L206 HydrophobicContact CG-CD2 4.39Å; V76-L206 HydrophobicContact CB-CD2 4.47Å; V76-L206 HydrophobicContact CG1-CD2 4.36Å; V78-L206 HydrophobicContact CG1-CD1 4.08Å; V78-L206 HydrophobicContact CG1-CD2 3.54Å; V78-L206 HydrophobicContact CG1-CG 3.76Å; F203-L206 HydrophobicContact CD1-CD1 3.88Å; F203-L206 WeakPolarHBondContact O-CB 3.43Å; F203-L206 PolarHBondContact O-N 2.85Å; H204-L206 PolarHBondContact O-N 3.04Å; L206-S208 PolarHBondContact O-N 3.18Å; L206-L209 HydrophobicContact CD2-CD1 4.34Å; L206-L209 WeakPolarHBondContact O-CB 3.49Å; L206-L209 PolarHBondContact O-N 3.03Å; L206-T210 WeakPolarHBondContact O-CG2 3.47Å; L206-T210 PolarHBondContact O-N 3.32Å; L206-T210 PolarHBondContact O-OG1 3.49Å; L206-L257 HydrophobicContact CB-CD2 4.45Å; L206-L257 HydrophobicContact CD1-CD2 4.29Å
207D70.6Confident67.4Low36 Ų3678.3 Ų78.319%0.19341%0.413CS..Hα-helixtrans-59.8-31.4176.5-69-41.2000111.3H204 H205 T210 N211 R248H204-D207 IonicContact ND1-OD2 3.27Å; H204-D207 PolarHBondContact ND1-OD2 3.45Å; H204-D207 VanDerWaalsContact ND1-OD2 3.11Å; H204-D207 WeakPolarHBondContact O-CB 3.46Å; H204-D207 PolarHBondContact O-N 3.37Å; H205-D207 VanDerWaalsContact C-N 3.33Å; D207-T210 WeakPolarHBondContact CA-OG1 3.45Å; D207-T210 PolarHBondContact O-OG1 2.92Å; D207-T210 VanDerWaalsContact O-OG1 3.05Å; D207-N211 WeakPolarHBondContact O-CB 3.36Å; D207-N211 VanDerWaalsContact O-CG 3.32Å; D207-N211 PolarHBondContact O-N 3.2Å; D207-N211 PolarHBondContact O-ND2 2.89Å; D207-R248 IonicContact OD1-NH1 2.98Å; D207-R248 PolarHBondContact OD1-NH1 3.37Å; D207-R248 IonicContact OD2-NH1 3.45Å; D207-R248 PolarHBondContact OD2-NH1 2.87Å
208S70.2Confident64.5Low77 Ų7776.8 Ų76.854%0.53841%0.414SS..Hα-helixtrans-70.7-32.4175.377.20000112.9H205 L206H205-S208 PolarHBondContact O-N 3.36Å; H205-S208 PolarHBondContact O-OG 3.01Å; L206-S208 PolarHBondContact O-N 3.18Å
209L66.1Low61.4Low53 Ų5384 Ų8428%0.27745%0.45SS..Hα-helixtrans-79.2-29.8179.4-66174.2000112.2I8 V76 L206I8-L209 HydrophobicContact CD1-CB 4.37Å; V76-L209 HydrophobicContact CB-CD1 4.45Å; V76-L209 HydrophobicContact CG1-CD1 3.76Å; V76-L209 HydrophobicContact CG2-CD1 4.01Å; L206-L209 HydrophobicContact CD2-CD1 4.34Å; L206-L209 WeakPolarHBondContact O-CB 3.49Å; L206-L209 PolarHBondContact O-N 3.03Å
210T65Low58.5Low20 Ų2091.1 Ų91.112%0.12349%0.488CS..Hα-helixtrans-76.8-29.3175.7570000112L206 D207 V212 T252 V255 L257L206-T210 WeakPolarHBondContact O-CG2 3.47Å; L206-T210 PolarHBondContact O-N 3.32Å; L206-T210 PolarHBondContact O-OG1 3.49Å; D207-T210 WeakPolarHBondContact CA-OG1 3.45Å; D207-T210 PolarHBondContact O-OG1 2.92Å; D207-T210 VanDerWaalsContact O-OG1 3.05Å; T210-V212 VanDerWaalsContact C-N 3.29Å; T210-V212 PolarHBondContact O-N 2.84Å; T210-T252 WeakPolarHBondContact O-CG2 3.38Å; T210-V255 HydrophobicContact CG2-CG1 3.94Å; T210-L257 HydrophobicContact CG2-CD1 4.04Å; T210-L257 HydrophobicContact CG2-CG 4.36Å
211N56.9Low55.6Low94 Ų9495 Ų9550%0.50351%0.507SS..THydrogen-bonded Turntrans-80.512.1-178.2-79.9-33.9000115.9D207 N213D207-N211 WeakPolarHBondContact O-CB 3.36Å; D207-N211 VanDerWaalsContact O-CG 3.32Å; D207-N211 PolarHBondContact O-N 3.2Å; D207-N211 PolarHBondContact O-ND2 2.89Å; N211-N213 VanDerWaalsContact C-N 3.33Å; N211-N213 PolarHBondContact O-N 3.39Å
212V48Very low52.9Low84 Ų8499.6 Ų99.651%0.50953%0.533SS..  trans-73.683.6-176.7-174.10000111.5T210 N214 I215T210-V212 VanDerWaalsContact C-N 3.29Å; T210-V212 PolarHBondContact O-N 2.84Å; V212-N214 PolarHBondContact O-N 2.85Å; V212-I215 HydrophobicContact CG1-CG1 4.35Å
213N34.9Very low50Low134 Ų134106.8 Ų106.872%0.71757%0.565SS**  trans-83.327.5163.5-81.2-26000112.7N211N211-N213 VanDerWaalsContact C-N 3.33Å; N211-N213 PolarHBondContact O-N 3.39Å
214N31.4Very low47.4Very low139 Ų139113.8 Ų113.874%0.74360%0.603SS**  trans-138.234-170.1-103.7-16.9000115.6V212 K216V212-N214 PolarHBondContact O-N 2.85Å; N214-K216 PolarHBondContact O-N 3.02Å
215I35.9Very low45.1Very low143 Ų143112.9 Ų112.973%0.73361%0.614SS**  trans-80.194.4156.9-58.4178.9000106.8V212 C217V212-I215 HydrophobicContact CG1-CG1 4.35Å; I215-C217 VanDerWaalsContact C-N 3.32Å; I215-C217 PolarHBondContact O-N 3.18Å
216K27.4Very low43.1Very low191 Ų191114 Ų11483%0.8362%0.624SS**  trans-56.997.3160.7-80.3178171.4-179.60107.8N214 S218N214-K216 PolarHBondContact O-N 3.02Å; K216-S218 PolarHBondContact O-N 3.27Å
217C27.8Very low41.1Very low109 Ų109121.3 Ų121.374%0.73666%0.663SS**  trans-70.5122.5155.1-75.90000106.6I215 E219I215-C217 VanDerWaalsContact C-N 3.32Å; I215-C217 PolarHBondContact O-N 3.18Å; C217-E219 PolarHBondContact O-N 3.14Å
218S29.9Very low39.3Very low109 Ų109126.6 Ų126.676%0.76269%0.691SS**  trans-44122172.2-39.60000110.2K216 D220K216-S218 PolarHBondContact O-N 3.27Å; S218-D220 PolarHBondContact O-N 3.04Å; S218-D220 VanDerWaalsContact O-N 3.08Å
219E29.2Very low37.7Very low188 Ų188131 Ų13188%0.87970%0.703SS**  trans-67.699.4172.6-70.1174.1160.400108.9C217C217-E219 PolarHBondContact O-N 3.14Å
220D33.4Very low36Very low154 Ų154136.2 Ų136.282%0.82472%0.724SS**  trans-103.3117.5154.3-80.5-36000108.4S218S218-D220 PolarHBondContact O-N 3.04Å; S218-D220 VanDerWaalsContact O-N 3.08Å
221Q31Very low34.5Very low175 Ų175141.4 Ų141.482%0.81875%0.751SS**  trans-58.3124.1-174.3-61.2169.112.700112.4
222V34.6Very low33.2Very low144 Ų144141 Ų14187%0.87376%0.755SS**  trans-142.3112.5147.6-176.10000109.4
223H32Very low32.3Very low156 Ų156144 Ų14472%0.72277%0.768SS**  trans-60.7144.6168.3-78.4-80.9000112.6
224N34.8Very low32.2Very low156 Ų156144.7 Ų144.783%0.83477%0.771SS**  trans153.6104.8137.9-76.3-23.9000108.4
225A36.1Very low32.2Very low83 Ų83146.5 Ų146.569%0.68677%0.773SS**  88.910888.400000112.2
226N31.9Very low31.8Very low146 Ų146145.6 Ų145.678%0.78177%0.774SS**  trans35.7123.3145.6-48.7-19.3000119.4
227D35.8Very low31.9Very low156 Ų156141.5 Ų141.583%0.83477%0.77SS**  -179.9155.5109.7-89.1-14.3000112.1
228D33.5Very low31.9Very low147 Ų147141.7 Ų141.779%0.78677%0.772SS**  trans-75.7170.6-162.5-66.4-54.5000116.3
229H36.3Very low32Very low170 Ų170141.4 Ų141.479%0.78777%0.77SS**  trans77.1121.2145.9-101-26.9000119.5
230F31.3Very low32Very low163 Ų163138.5 Ų138.572%0.71577%0.77SS**  154.6123.598.5-135.1-113.7000113.3
231N31.6Very low32.2Very low129 Ų129137 Ų13769%0.6977%0.767SS**  trans52.2132.8145.8-86.3-21000125.7
232S31Very low32.3Very low86 Ų86135 Ų13560%0.60176%0.762SS**  trans-59.7154.8156.753.50000115.1
233N29.4Very low32.3Very low146 Ų146140.3 Ų140.378%0.78177%0.766SS**  trans79102.8159.2-55.9-23.4000116.9
234L31.9Very low32.8Very low148 Ų148134 Ų13478%0.77574%0.739SS**  trans-159.6139.1145.2-133.163000112
235F31.8Very low33Very low177 Ų177129 Ų12978%0.77672%0.716SS**  trans94.383.7162-57.3-65.5000120.4
236T27.2Very low33.3Very low125 Ų125126.8 Ų126.877%0.76769%0.69SS**  trans-48157.8133.448.10000114.6
237S29.7Very low33.8Very low105 Ų105123.8 Ų123.873%0.73468%0.68SS**  trans90.5108.1153.167.50000121.1
238S28.3Very low34.2Very low113 Ų113121.1 Ų121.179%0.7966%0.658SS**  trans67.1102.2132.671.10000120.3
239S31.7Very low34.7Very low103 Ų103123.2 Ų123.272%0.7266%0.66SS**  -158.6144.2122.260.80000109.6V241S239-V241 PolarHBondContact O-N 2.77Å; S239-V241 VanDerWaalsContact O-N 3.15Å
240S29.8Very low34.9Very low126 Ų126119.6 Ų119.688%0.88165%0.646SS**  trans-63.1102.7-179.247.20000111.3
241V36.4Very low35.5Very low124 Ų124120 Ų12075%0.75266%0.657SS**  trans-129.6121.9173.3-165.40000109.9S239S239-V241 PolarHBondContact O-N 2.77Å; S239-V241 VanDerWaalsContact O-N 3.15Å
242D32.8Very low36.5Very low133 Ų133115.6 Ų115.671%0.71163%0.634SS**  trans-11.8111.8176.9-155.611.1000117S244D242-S244 PolarHBondContact O-N 2.79Å; D242-S244 PolarHBondContact OD2-OG 2.81Å
243R34.7Very low37.8Very low255 Ų255115.5 Ų115.596%0.96264%0.638SS**SBendtrans-74.327-174.7-138-177.2-145.8-149.34.3113.7
244S42.7Very low39.7Very low22 Ų22112.2 Ų112.215%0.15462%0.621CS.*  trans-95.25.2-169700000115D242D242-S244 PolarHBondContact O-N 2.79Å; D242-S244 PolarHBondContact OD2-OG 2.81Å
245C38.9Very low41.7Very low52 Ų52106.5 Ų106.535%0.35159%0.592SS.*  trans-112.7136.4-176.1-171.90000114.1L256 L257C245-L256 HydrophobicContact CB-CD1 4.06Å; C245-L256 HydrophobicContact CB-CG 4.39Å; C245-L256 WeakPolarHBondContact SG-CD1 3.34Å; C245-L256 WeakPolarHBondContact SG-CG 3.42Å; C245-L257 PolarHBondContact SG-O 3.02Å
246Y42.7Very low44Very low36 Ų3699.4 Ų99.414%0.14156%0.562CS.*BIsolated β-bridgetrans-90.2114.7164.2179.1-112.8000109.4D152 R248 L257D152-Y246 PolarHBondContact OD2-OH 3.15Å; Y246-R248 HydrophobicContact CE1-CB 3.93Å; Y246-R248 HydrophobicContact CE1-CG 4.22Å; Y246-R248 WeakPolarHBondContact OH-CD 3.39Å; Y246-R248 VanDerWaalsContact OH-CG 3.31Å; Y246-R248 WeakPolarHBondContact OH-CG 3.37Å; Y246-R248 PolarHBondContact OH-NE 3.45Å; Y246-L257 HydrophobicContact CD1-CD1 3.76Å; Y246-L257 HydrophobicContact CE1-CD1 4.33Å; Y246-L257 PolarHBondContact N-O 2.97Å
247C43.3Very low46.7Very low84 Ų8493.9 Ų93.957%0.56853%0.528SS*.  trans-112106.6168.1-72.70000108.3
248R44.3Very low49.4Very low99 Ų9989.3 Ų89.337%0.37450%0.496SS..  trans-75.7128172.6-147.3172.2-162176.93.6108.7D152 D207 Y246 N250D152-R248 IonicContact OD1-NH2 3.24Å; D152-R248 PolarHBondContact OD1-NH2 3.5Å; D152-R248 IonicContact OD2-CZ 3.31Å; D152-R248 VanDerWaalsContact OD2-CZ 3.31Å; D152-R248 IonicContact OD2-NE 2.8Å; D152-R248 PolarHBondContact OD2-NE 3.02Å; D152-R248 IonicContact OD2-NH2 3Å; D152-R248 PolarHBondContact OD2-NH2 3.27Å; D207-R248 IonicContact OD1-NH1 2.98Å; D207-R248 PolarHBondContact OD1-NH1 3.37Å; D207-R248 IonicContact OD2-NH1 3.45Å; D207-R248 PolarHBondContact OD2-NH1 2.87Å; Y246-R248 HydrophobicContact CE1-CB 3.93Å; Y246-R248 HydrophobicContact CE1-CG 4.22Å; Y246-R248 WeakPolarHBondContact OH-CD 3.39Å; Y246-R248 VanDerWaalsContact OH-CG 3.31Å; Y246-R248 WeakPolarHBondContact OH-CG 3.37Å; Y246-R248 PolarHBondContact OH-NE 3.45Å; R248-N250 PolarHBondContact O-N 3.04Å
249K42.2Very low52.4Low191 Ų19189.1 Ų89.183%0.8348%0.481SS*.SBendtrans-70.864.1175.6-71.6179.5-178.5164.50111.2
250N41.6Very low55.3Low94 Ų9484.4 Ų84.450%0.50345%0.447SS..SBendtrans-131.886.1170.6-81.1-11.1000108.6R248 T252R248-N250 PolarHBondContact O-N 3.04Å; N250-T252 PolarHBondContact O-N 2.82Å; N250-T252 PolarHBondContact O-OG1 2.71Å
251N43.5Very low58.4Low173 Ų17379.4 Ų79.493%0.92541%0.412SS*.SBendtrans36.66.9162.3-90.5-4000121.9
252T52.7Low61.3Low36 Ų3673.6 Ų73.622%0.22138%0.377CS..  trans-110.568.1178.960.10000107.5T210 N250 N254 V255T210-T252 WeakPolarHBondContact O-CG2 3.38Å; N250-T252 PolarHBondContact O-N 2.82Å; N250-T252 PolarHBondContact O-OG1 2.71Å; T252-N254 PolarHBondContact O-N 2.9Å; T252-V255 PolarHBondContact O-N 3.29Å
253A57.5Low64.4Low83 Ų8367.8 Ų67.869%0.68635%0.345SS*.THydrogen-bonded Turntrans-56.1-8.9179.800000113.9Q5Q5-A253 PolarHBondContact NE2-O 3.17Å
254N69.8Low67.4Low78 Ų7855.8 Ų55.842%0.41730%0.3SS..THydrogen-bonded Turntrans-100.84.7-173.8-62.3-24.9000114.6Q5 L6 T252Q5-N254 CarbonylContact C-O 3.46Å; Q5-N254 WeakPolarHBondContact CA-O 3.35Å; L6-N254 PolarHBondContact N-O 3.34Å; T252-N254 PolarHBondContact O-N 2.9Å
255V73.5Confident70.1Confident28 Ų2854.8 Ų54.817%0.1729%0.293CS..EExtended strand (participates in β ladder)trans-122.3127178.6-170.30000112.4L6 I8 T210 T252L6-V255 HydrophobicContact CB-CG2 4.47Å; L6-V255 HydrophobicContact CD2-CG2 4.39Å; L6-V255 CarbonylContact O-C 3.54Å; L6-V255 VanDerWaalsContact O-CA 3.31Å; L6-V255 WeakPolarHBondContact O-CA 3.37Å; I8-V255 HydrophobicContact CD1-CG1 3.66Å; I8-V255 HydrophobicContact CG1-CG1 4.06Å; T210-V255 HydrophobicContact CG2-CG1 3.94Å; T252-V255 PolarHBondContact O-N 3.29Å
256L81.4Confident72.8Confident27 Ų2752.4 Ų52.414%0.14128%0.277CS..EExtended strand (participates in β ladder)trans-117.4117.2-177.3-167.780.3000110.1Q5 L6 R7 I8 C245Q5-L256 HydrophobicContact CG-CB 4.28Å; L6-L256 PolarHBondContact O-N 2.8Å; R7-L256 CarbonylContact C-O 3.59Å; R7-L256 WeakPolarHBondContact CA-O 3.45Å; R7-L256 HydrophobicContact CG-CB 4.46Å; R7-L256 HydrophobicContact CG-CD2 4.17Å; I8-L256 PolarHBondContact N-O 2.94Å; C245-L256 HydrophobicContact CB-CD1 4.06Å; C245-L256 HydrophobicContact CB-CG 4.39Å; C245-L256 WeakPolarHBondContact SG-CD1 3.34Å; C245-L256 WeakPolarHBondContact SG-CG 3.42Å
257L84.2Confident75.3Confident10 Ų1051 Ų515%0.05227%0.273CS..EExtended strand (participates in β ladder)trans-92.3123.1178.1-73.3165.5000111.5I8 Y145 L206 T210 C245 Y246I8-L257 HydrophobicContact CB-CD2 3.83Å; I8-L257 HydrophobicContact CG2-CD2 3.91Å; Y145-L257 WeakPolarHBondContact OH-CB 3.35Å; L206-L257 HydrophobicContact CB-CD2 4.45Å; L206-L257 HydrophobicContact CD1-CD2 4.29Å; T210-L257 HydrophobicContact CG2-CD1 4.04Å; T210-L257 HydrophobicContact CG2-CG 4.36Å; C245-L257 PolarHBondContact SG-O 3.02Å; Y246-L257 HydrophobicContact CD1-CD1 3.76Å; Y246-L257 HydrophobicContact CE1-CD1 4.33Å; Y246-L257 PolarHBondContact N-O 2.97Å
258S86.3Confident77.7Confident8 Ų847 Ų476%0.05625%0.246CC..PPolyproline II helixtrans-86.9164.4177.6-51.50000111.6R7 I8 P10 Y145R7-S258 VanDerWaalsContact CG-OG 3.31Å; R7-S258 WeakPolarHBondContact CG-OG 3.29Å; R7-S258 PolarHBondContact NE-OG 3.26Å; I8-S258 PolarHBondContact O-N 3.32Å; I8-S258 PolarHBondContact O-OG 2.99Å; P10-S258 WeakPolarHBondContact CD-O 3.36Å; Y145-S258 PolarHBondContact OH-O 3.1Å
259K89.7Confident80Confident110 Ų11044.9 Ų44.948%0.47824%0.242SC..PPolyproline II helixtrans-54.3141.4168.6-71.4-178.4175.3173.90110.8
260P93.1Very high82.4Confident3 Ų337.7 Ų37.72%0.01921%0.213CC..PPolyproline II helixtrans-65.9144.4176.228.1-34.2000110.8P10 Y145 F203P10-P260 HydrophobicContact CB-CB 4.22Å; P10-P260 CarbonylContact O-C 3.53Å; P10-P260 VanDerWaalsContact O-CA 3.27Å; P10-P260 WeakPolarHBondContact O-CA 3.31Å; Y145-P260 HydrophobicContact CD1-CG 4.45Å; Y145-P260 HydrophobicContact CD2-CG 4.48Å; Y145-P260 HydrophobicContact CG-CG 4.08Å; F203-P260 HydrophobicContact CE1-CB 4.08Å; F203-P260 HydrophobicContact CE1-CG 4.38Å; F203-P260 HydrophobicContact CZ-CB 4.27Å; F203-P260 HydrophobicContact CZ-CG 4.28Å
261C94.4Very high84.9Confident21 Ų2133.2 Ų33.214%0.14219%0.189CC..EExtended strand (participates in β ladder)trans-115.8158.5170.870.90000111.3E9 P10 F12E9-C261 PolarHBondContact OE1-SG 3.39Å; P10-C261 PolarHBondContact O-N 3.25Å; F12-C261 PolarHBondContact N-O 3.01Å
262V97.6Very high87.2Confident2 Ų227.9 Ų27.91%0.01216%0.158CC..EExtended strand (participates in β ladder)trans-118.1133.6177.5-178.10000108.5F12 L14 L134 I137 Y138 L141 Y292F12-V262 HydrophobicContact CB-CG2 4.29Å; F12-V262 CarbonylContact O-C 3.58Å; F12-V262 WeakPolarHBondContact O-CA 3.15Å; L14-V262 HydrophobicContact CB-CG1 3.95Å; L134-V262 HydrophobicContact CD2-CG1 3.8Å; I137-V262 HydrophobicContact CG2-CG1 4.48Å; I137-V262 HydrophobicContact CG2-CG2 4.34Å; Y138-V262 HydrophobicContact CD2-CG2 4.18Å; L141-V262 HydrophobicContact CD1-CG2 3.38Å; V262-Y292 HydrophobicContact CB-CD1 4.17Å; V262-Y292 CarbonylContact O-C 3.47Å; V262-Y292 WeakPolarHBondContact O-CA 3.44Å; V262-Y292 WeakPolarHBondContact O-CB 3.38Å
263K98.2Very high89.2Confident12 Ų1227.2 Ų27.25%0.05216%0.155CC..EExtended strand (participates in β ladder)trans-118.1136.6172.9-64-161.4170.4-640111.1V11 F12 L13 L14 I37 Y292 I295 N320V11-K263 HydrophobicContact CG1-CD 4.43Å; V11-K263 HydrophobicContact CG1-CG 4.17Å; F12-K263 PolarHBondContact O-N 3.25Å; L13-K263 HydrophobicContact CD2-CB 4.09Å; L14-K263 PolarHBondContact N-O 3.39Å; I37-K263 HydrophobicContact CD1-CD 3.83Å; K263-Y292 PolarHBondContact NZ-O 2.74Å; K263-Y292 VanDerWaalsContact NZ-O 3.08Å; K263-I295 HydrophobicContact CB-CD1 4.03Å; K263-I295 HydrophobicContact CB-CG1 4.18Å; K263-I295 HydrophobicContact CD-CD1 4.07Å; K263-I295 HydrophobicContact CD-CG1 4.12Å; K263-N320 PolarHBondContact NZ-OD1 3.41Å
264L98.5Very high90.9Very high2 Ų224.1 Ų24.11%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-79.2120.3174.7-179.766.9000109.8L14 T130 L134 I288 G293 I294 I295L14-L264 CarbonylContact O-C 3.6Å; L14-L264 WeakPolarHBondContact O-CA 3.31Å; T130-L264 HydrophobicContact CG2-CD1 4.02Å; T130-L264 HydrophobicContact CG2-CD2 4.1Å; L134-L264 HydrophobicContact CD1-CB 4.36Å; L134-L264 HydrophobicContact CD1-CD2 4.5Å; L134-L264 HydrophobicContact CD2-CB 4.34Å; L264-I288 HydrophobicContact CD2-CG2 3.95Å; L264-G293 PolarHBondContact N-O 3.49Å; L264-I294 HydrophobicContact CB-CG1 4.44Å; L264-I294 HydrophobicContact CD2-CG1 4.47Å; L264-I294 CarbonylContact O-C 3.42Å; L264-I294 WeakPolarHBondContact O-CA 3.5Å; L264-I295 PolarHBondContact O-N 2.96Å
265V98.4Very high91.9Very high1 Ų124.1 Ų24.11%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-97.6121.8173.5-176.20000109.5L13 L14 S15 M29 M30 A33 I295 I297L13-V265 HydrophobicContact CB-CG2 3.83Å; L13-V265 HydrophobicContact CD1-CG2 4.24Å; L13-V265 HydrophobicContact CD2-CG2 4Å; L13-V265 HydrophobicContact CG-CG2 4.24Å; L14-V265 PolarHBondContact O-N 3.22Å; S15-V265 PolarHBondContact OG-O 3.05Å; S15-V265 VanDerWaalsContact OG-O 3.14Å; M29-V265 HydrophobicContact CB-CG1 4.34Å; M30-V265 HydrophobicContact SD-CB 3.96Å; M30-V265 HydrophobicContact SD-CG1 4.07Å; M30-V265 HydrophobicContact SD-CG2 4.09Å; A33-V265 HydrophobicContact CB-CB 4.47Å; A33-V265 HydrophobicContact CB-CG1 3.85Å; A33-V265 HydrophobicContact CB-CG2 3.72Å; V265-I295 WeakPolarHBondContact CA-O 3.14Å; V265-I295 HydrophobicContact CG2-CB 4.37Å; V265-I295 HydrophobicContact CG2-CD1 4.37Å; V265-I297 HydrophobicContact CG1-CG1 4.41Å
266C96.8Very high92.7Very high3 Ų326.1 Ų26.12%0.0214%0.135CC..EExtended strand (participates in β ladder)trans-145.5160.8179.770.40000112.8L270 I295 C296 I297C266-L270 HydrophobicContact CB-CB 3.89Å; C266-L270 HydrophobicContact CB-CD1 3.97Å; C266-L270 HydrophobicContact CB-CD2 3.85Å; C266-L270 HydrophobicContact CB-CG 4.11Å; C266-I295 PolarHBondContact N-O 3.02Å; C266-C296 CarbonylContact O-C 3.55Å; C266-C296 WeakPolarHBondContact O-CA 3.31Å; C266-I297 PolarHBondContact O-N 3.02Å
267G93.9Very high93Very high5 Ų530.3 Ų30.35%0.05216%0.164CC..EExtended strand (participates in β ladder)trans-76.8161.7167.300000112D269 L270 L271 I297G267-D269 VanDerWaalsContact C-OD1 3.25Å; G267-D269 VanDerWaalsContact CA-OD1 3.32Å; G267-D269 WeakPolarHBondContact CA-OD1 3.34Å; G267-D269 PolarHBondContact O-N 3.43Å; G267-L270 PolarHBondContact O-N 3.39Å; G267-L270 VanDerWaalsContact O-N 3.08Å; G267-L271 PolarHBondContact O-N 2.85Å; G267-I297 CarbonylContact C-O 3.5Å
268A93.4Very high93.2Very high0 Ų040 Ų400%021%0.206CC..Hα-helixtrans-60.6-22.5175.100000113.8L271 E272 C296 I297 Y302 P304A268-L271 PolarHBondContact O-N 3.37Å; A268-E272 PolarHBondContact O-N 2.93Å; A268-C296 VanDerWaalsContact CA-SG 3.56Å; A268-I297 PolarHBondContact N-O 3.02Å; A268-Y302 HydrophobicContact CB-CG 4.26Å; A268-P304 HydrophobicContact CB-CB 4.4Å
269D92.5Very high93.4Very high55 Ų5543.5 Ų43.529%0.29422%0.223SC..Hα-helixtrans-64.6-39.6171.549-8.6000113G267 S273 R299 Y302G267-D269 VanDerWaalsContact C-OD1 3.25Å; G267-D269 VanDerWaalsContact CA-OD1 3.32Å; G267-D269 WeakPolarHBondContact CA-OD1 3.34Å; G267-D269 PolarHBondContact O-N 3.43Å; D269-S273 PolarHBondContact O-N 3.47Å; D269-R299 IonicContact OD2-CZ 2.78Å; D269-R299 IonicContact OD2-NH1 3.62Å; D269-R299 PolarHBondContact OD2-NH1 3.33Å; D269-Y302 HydrophobicContact CB-CD2 4.22Å; D269-Y302 HydrophobicContact CB-CE1 4.14Å; D269-Y302 HydrophobicContact CB-CE2 3.61Å
270L93.6Very high93.6Very high40 Ų4040.6 Ų40.621%0.20921%0.209CC..Hα-helixtrans-68.4-41.4173.4-172.1149.6000110.9C266 G267 E272 S273 F274 W280C266-L270 HydrophobicContact CB-CB 3.89Å; C266-L270 HydrophobicContact CB-CD1 3.97Å; C266-L270 HydrophobicContact CB-CD2 3.85Å; C266-L270 HydrophobicContact CB-CG 4.11Å; G267-L270 PolarHBondContact O-N 3.39Å; G267-L270 VanDerWaalsContact O-N 3.08Å; L270-E272 PolarHBondContact O-N 3.49Å; L270-S273 VanDerWaalsContact O-CB 3.29Å; L270-S273 WeakPolarHBondContact O-CB 3.43Å; L270-S273 PolarHBondContact O-N 2.66Å; L270-S273 VanDerWaalsContact O-N 3.09Å; L270-S273 PolarHBondContact O-OG 2.9Å; L270-F274 HydrophobicContact CD2-CE1 3.66Å; L270-F274 HydrophobicContact CD2-CZ 4.1Å; L270-W280 HydrophobicContact CD2-CH2 4.17Å; L270-W280 HydrophobicContact CD2-CZ2 4.14Å; L270-W280 HydrophobicContact CG-CZ2 4.27Å
271L93.2Very high93.7Very high0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-63.5-41.3178.8-167.168.2000111.6G267 A268 S273 F274 I294 C296 P304 I307 I308 L314G267-L271 PolarHBondContact O-N 2.85Å; A268-L271 PolarHBondContact O-N 3.37Å; L271-S273 PolarHBondContact O-N 2.94Å; L271-F274 HydrophobicContact CD1-CD2 3.96Å; L271-F274 HydrophobicContact CD1-CE2 3.85Å; L271-F274 WeakPolarHBondContact O-CB 3.39Å; L271-F274 PolarHBondContact O-N 2.7Å; L271-I294 HydrophobicContact CD1-CD1 4.22Å; L271-C296 HydrophobicContact CD2-CB 4.18Å; L271-P304 HydrophobicContact CD2-CB 4.47Å; L271-I307 HydrophobicContact CD2-CB 4.49Å; L271-I307 HydrophobicContact CD2-CG2 4.04Å; L271-I307 HydrophobicContact CG-CG2 3.8Å; L271-I308 HydrophobicContact CD2-CD1 4.47Å; L271-I308 HydrophobicContact CD2-CG1 4.1Å; L271-L314 HydrophobicContact CD1-CD1 3.86Å; L271-L314 HydrophobicContact CD1-CD2 4.15Å; L271-L314 HydrophobicContact CG-CD1 4.18Å
272E93.2Very high93.7Very high61 Ų6144.8 Ų44.829%0.28524%0.243SC..Hα-helixtrans-59.6-36.4173.2-172.772.1-126.500111.3A268 L270 F274 K275 Y302 I307A268-E272 PolarHBondContact O-N 2.93Å; L270-E272 PolarHBondContact O-N 3.49Å; E272-F274 PolarHBondContact O-N 2.77Å; E272-K275 PolarHBondContact O-N 2.94Å; E272-K275 WeakPolarHBondContact OE1-CD 3.28Å; E272-K275 WeakPolarHBondContact OE1-CE 3.3Å; E272-K275 IonicContact OE1-NZ 2.73Å; E272-K275 PolarHBondContact OE1-NZ 2.76Å; E272-K275 IonicContact OE2-NZ 3.84Å; E272-Y302 HydrophobicContact CB-CD1 3.8Å; E272-Y302 HydrophobicContact CB-CE1 3.95Å; E272-Y302 HydrophobicContact CG-CD1 4.07Å; E272-Y302 HydrophobicContact CG-CE1 4.08Å; E272-I307 HydrophobicContact CB-CD1 3.77Å; E272-I307 HydrophobicContact CG-CD1 4.41Å; E272-I307 WeakPolarHBondContact OE2-CD1 3.38Å; E272-I307 WeakPolarHBondContact OE2-CG1 3.45Å
273S94Very high93.6Very high23 Ų2350.7 Ų50.716%0.16127%0.27CS..Hα-helixtrans-61-19.6-179.486.30000113.4D269 L270 L271 K275 T276 W280D269-S273 PolarHBondContact O-N 3.47Å; L270-S273 VanDerWaalsContact O-CB 3.29Å; L270-S273 WeakPolarHBondContact O-CB 3.43Å; L270-S273 PolarHBondContact O-N 2.66Å; L270-S273 VanDerWaalsContact O-N 3.09Å; L270-S273 PolarHBondContact O-OG 2.9Å; L271-S273 PolarHBondContact O-N 2.94Å; S273-K275 PolarHBondContact O-N 2.68Å; S273-T276 WeakPolarHBondContact O-CB 3.33Å; S273-T276 PolarHBondContact O-N 3.41Å; S273-T276 PolarHBondContact O-OG1 3.37Å; S273-W280 PolarHBondContact O-NE1 3.1Å; S273-W280 PolarHBondContact OG-NE1 3.08Å
274F93.3Very high93.5Very high17 Ų1750.4 Ų50.48%0.07527%0.269CS..THydrogen-bonded Turntrans-60.8-24.5174.1-70.74.6000112.9L270 L271 E272 T276 W280 I285 V289 I294 L314L270-F274 HydrophobicContact CD2-CE1 3.66Å; L270-F274 HydrophobicContact CD2-CZ 4.1Å; L271-F274 HydrophobicContact CD1-CD2 3.96Å; L271-F274 HydrophobicContact CD1-CE2 3.85Å; L271-F274 WeakPolarHBondContact O-CB 3.39Å; L271-F274 PolarHBondContact O-N 2.7Å; E272-F274 PolarHBondContact O-N 2.77Å; F274-T276 VanDerWaalsContact C-N 3.31Å; F274-W280 AromaticContact CD1-CD1 3.98Å; F274-W280 AromaticContact CD1-CD2 3.67Å; F274-W280 HydrophobicContact CD1-CD2 3.67Å; F274-W280 AromaticContact CD1-CE2 3.53Å; F274-W280 HydrophobicContact CD1-CE3 4.15Å; F274-W280 HydrophobicContact CD1-CG 4Å; F274-W280 HydrophobicContact CD1-CH2 4.38Å; F274-W280 AromaticContact CD1-CZ2 3.93Å; F274-W280 HydrophobicContact CD1-CZ2 3.93Å; F274-W280 HydrophobicContact CD1-CZ3 4.47Å; F274-W280 AromaticContact CD1-NE1 3.7Å; F274-W280 AromaticContact CE1-CD2 3.79Å; F274-W280 HydrophobicContact CE1-CD2 3.79Å; F274-W280 AromaticContact CE1-CE2 3.65Å; F274-W280 AromaticContact CE1-CE3 3.82Å; F274-W280 HydrophobicContact CE1-CE3 3.82Å; F274-W280 AromaticContact CE1-CH2 3.64Å; F274-W280 HydrophobicContact CE1-CH2 3.64Å; F274-W280 AromaticContact CE1-CZ2 3.6Å; F274-W280 HydrophobicContact CE1-CZ2 3.6Å; F274-W280 AromaticContact CE1-CZ3 3.74Å; F274-W280 HydrophobicContact CE1-CZ3 3.74Å; F274-W280 HydrophobicContact CZ-CZ3 4.46Å; F274-I285 HydrophobicContact CB-CD1 3.98Å; F274-I285 HydrophobicContact CB-CG1 4.5Å; F274-I285 HydrophobicContact CD2-CD1 4.49Å; F274-I285 HydrophobicContact CD2-CG1 4.19Å; F274-I285 HydrophobicContact CD2-CG2 3.73Å; F274-I285 HydrophobicContact CE2-CG2 3.99Å; F274-I285 HydrophobicContact CG-CD1 4.2Å; F274-I285 HydrophobicContact CG-CG1 4.18Å; F274-I285 HydrophobicContact CG-CG2 4.47Å; F274-V289 HydrophobicContact CE2-CG2 4.49Å; F274-I294 HydrophobicContact CE2-CD1 3.62Å; F274-I294 HydrophobicContact CZ-CD1 3.84Å; F274-L314 HydrophobicContact CD2-CD1 4.37Å; F274-L314 HydrophobicContact CD2-CD2 4.12Å; F274-L314 HydrophobicContact CE2-CD2 4.23Å
275K90.7Very high93.4Very high78 Ų7851 Ų5134%0.33927%0.272SS..THydrogen-bonded Turntrans-79-13.8174.1-59.7-176.5-162.4157.90113.2E272 S273 P277 E310E272-K275 PolarHBondContact O-N 2.94Å; E272-K275 WeakPolarHBondContact OE1-CD 3.28Å; E272-K275 WeakPolarHBondContact OE1-CE 3.3Å; E272-K275 IonicContact OE1-NZ 2.73Å; E272-K275 PolarHBondContact OE1-NZ 2.76Å; E272-K275 IonicContact OE2-NZ 3.84Å; S273-K275 PolarHBondContact O-N 2.68Å; K275-P277 VanDerWaalsContact O-CD 3.28Å; K275-P277 WeakPolarHBondContact O-CD 3.31Å; K275-E310 WeakPolarHBondContact CE-OE2 3.22Å; K275-E310 IonicContact NZ-OE2 3.4Å; K275-E310 PolarHBondContact NZ-OE2 3.27Å
276T90.7Very high93.3Very high71 Ų7153.3 Ų53.344%0.43628%0.283SS..SBendtrans-70.7117.3-175-57.50000109.8S273 F274 K278 L279S273-T276 WeakPolarHBondContact O-CB 3.33Å; S273-T276 PolarHBondContact O-N 3.41Å; S273-T276 PolarHBondContact O-OG1 3.37Å; F274-T276 VanDerWaalsContact C-N 3.31Å; T276-K278 PolarHBondContact O-N 3.44Å; T276-L279 HydrophobicContact CG2-CB 3.95Å; T276-L279 HydrophobicContact CG2-CD2 4.16Å; T276-L279 WeakPolarHBondContact O-CB 3.42Å; T276-L279 PolarHBondContact O-N 2.98Å
277P87.3Confident93.4Very high114 Ų11454.1 Ų54.174%0.7429%0.288SS*.THydrogen-bonded Turntrans-57136.6-177.5-25.334.7000111.7K275 L279K275-P277 VanDerWaalsContact O-CD 3.28Å; K275-P277 WeakPolarHBondContact O-CD 3.31Å; P277-L279 PolarHBondContact O-N 3.19Å; P277-L279 VanDerWaalsContact O-N 3.12Å
278K89Confident93.6Very high214 Ų21453.9 Ų53.993%0.9329%0.286SS*.THydrogen-bonded Turntrans660.3178.8-50.8177.2178.8178.90116T276T276-K278 PolarHBondContact O-N 3.44Å
279L90.8Very high93.7Very high82 Ų8253.9 Ų53.943%0.42929%0.286SS..THydrogen-bonded Turntrans-80.8-36.2176.3-174.761.7000112T276 P277T276-L279 HydrophobicContact CG2-CB 3.95Å; T276-L279 HydrophobicContact CG2-CD2 4.16Å; T276-L279 WeakPolarHBondContact O-CB 3.42Å; T276-L279 PolarHBondContact O-N 2.98Å; P277-L279 PolarHBondContact O-N 3.19Å; P277-L279 VanDerWaalsContact O-N 3.12Å
280W93.7Very high94Very high48 Ų4856 Ų5618%0.18229%0.29CS..SBendtrans-127.1140.8-178.2-62.987.3000110.7L270 S273 F274 I285 I288L270-W280 HydrophobicContact CD2-CH2 4.17Å; L270-W280 HydrophobicContact CD2-CZ2 4.14Å; L270-W280 HydrophobicContact CG-CZ2 4.27Å; S273-W280 PolarHBondContact O-NE1 3.1Å; S273-W280 PolarHBondContact OG-NE1 3.08Å; F274-W280 AromaticContact CD1-CD1 3.98Å; F274-W280 AromaticContact CD1-CD2 3.67Å; F274-W280 HydrophobicContact CD1-CD2 3.67Å; F274-W280 AromaticContact CD1-CE2 3.53Å; F274-W280 HydrophobicContact CD1-CE3 4.15Å; F274-W280 HydrophobicContact CD1-CG 4Å; F274-W280 HydrophobicContact CD1-CH2 4.38Å; F274-W280 AromaticContact CD1-CZ2 3.93Å; F274-W280 HydrophobicContact CD1-CZ2 3.93Å; F274-W280 HydrophobicContact CD1-CZ3 4.47Å; F274-W280 AromaticContact CD1-NE1 3.7Å; F274-W280 AromaticContact CE1-CD2 3.79Å; F274-W280 HydrophobicContact CE1-CD2 3.79Å; F274-W280 AromaticContact CE1-CE2 3.65Å; F274-W280 AromaticContact CE1-CE3 3.82Å; F274-W280 HydrophobicContact CE1-CE3 3.82Å; F274-W280 AromaticContact CE1-CH2 3.64Å; F274-W280 HydrophobicContact CE1-CH2 3.64Å; F274-W280 AromaticContact CE1-CZ2 3.6Å; F274-W280 HydrophobicContact CE1-CZ2 3.6Å; F274-W280 AromaticContact CE1-CZ3 3.74Å; F274-W280 HydrophobicContact CE1-CZ3 3.74Å; F274-W280 HydrophobicContact CZ-CZ3 4.46Å; W280-I285 HydrophobicContact CB-CD1 3.61Å; W280-I285 HydrophobicContact CB-CG1 3.85Å; W280-I285 HydrophobicContact CG-CD1 4.39Å; W280-I285 HydrophobicContact CG-CG1 4.46Å; W280-I288 HydrophobicContact CZ3-CD1 4.13Å
281S94.1Very high94.1Very high51 Ų5158.4 Ų58.436%0.35730%0.302SS..  trans-75.1136.2166.9174.20000109.5E283 D284 I285S281-E283 VanDerWaalsContact C-N 3.25Å; S281-E283 PolarHBondContact O-N 3.36Å; S281-E283 PolarHBondContact OG-N 3.45Å; S281-D284 WeakPolarHBondContact O-CB 3.44Å; S281-D284 PolarHBondContact O-N 3.24Å; S281-D284 VanDerWaalsContact O-N 3.11Å; S281-I285 WeakPolarHBondContact O-CG1 3.33Å; S281-I285 PolarHBondContact O-N 3.49Å
282A94.2Very high94.3Very high62 Ų6259.3 Ų59.351%0.51231%0.306SS..Hα-helixtrans-59.6-38.2175.100000111.9D284 I285 E286 I313A282-D284 VanDerWaalsContact C-N 3.32Å; A282-D284 PolarHBondContact O-N 3.02Å; A282-I285 PolarHBondContact O-N 2.84Å; A282-E286 WeakPolarHBondContact O-CB 3.36Å; A282-E286 PolarHBondContact O-N 3.31Å; A282-I313 HydrophobicContact CB-CD1 4.14Å
283E96Very high94.5Very high126 Ų12656.4 Ų56.459%0.58929%0.292SS*.Hα-helixtrans-61.8-40.4174.8-175.8-168.7167.500111.5S281 T287S281-E283 VanDerWaalsContact C-N 3.25Å; S281-E283 PolarHBondContact O-N 3.36Å; S281-E283 PolarHBondContact OG-N 3.45Å; E283-T287 WeakPolarHBondContact O-CB 3.49Å; E283-T287 PolarHBondContact O-N 2.98Å; E283-T287 PolarHBondContact O-OG1 3.49Å
284D96.8Very high94.7Very high6 Ų655.3 Ų55.33%0.03229%0.285CS..Hα-helixtrans-68.2-44.1177.8-70.7-19.1000111.4R129 R131 S281 A282 E286 T287 I288R129-D284 VanDerWaalsContact CD-OD2 3.22Å; R129-D284 WeakPolarHBondContact CD-OD2 3.12Å; R129-D284 IonicContact CZ-OD1 3.78Å; R129-D284 IonicContact CZ-OD2 2.69Å; R129-D284 IonicContact NE-OD2 2.87Å; R129-D284 IonicContact NH1-OD1 2.85Å; R129-D284 PolarHBondContact NH1-OD1 3.01Å; R129-D284 IonicContact NH1-OD2 3.37Å; R129-D284 PolarHBondContact NH1-OD2 2.91Å; R131-D284 HydrophobicContact CB-CB 4.32Å; R131-D284 IonicContact CZ-OD1 3.44Å; R131-D284 IonicContact NE-OD1 3.8Å; R131-D284 PolarHBondContact NE-OD1 2.91Å; R131-D284 IonicContact NH2-OD1 3.96Å; S281-D284 WeakPolarHBondContact O-CB 3.44Å; S281-D284 PolarHBondContact O-N 3.24Å; S281-D284 VanDerWaalsContact O-N 3.11Å; A282-D284 VanDerWaalsContact C-N 3.32Å; A282-D284 PolarHBondContact O-N 3.02Å; D284-E286 VanDerWaalsContact C-N 3.34Å; D284-E286 PolarHBondContact O-N 3.42Å; D284-T287 PolarHBondContact O-N 2.92Å; D284-I288 WeakPolarHBondContact O-CB 3.46Å; D284-I288 WeakPolarHBondContact O-CD1 3.37Å; D284-I288 WeakPolarHBondContact O-CG1 3.34Å; D284-I288 PolarHBondContact O-N 2.99Å
285I96.1Very high94.9Very high13 Ų1354.5 Ų54.57%0.06728%0.281CS..Hα-helixtrans-59.5-48.5176.8-64.4164.3000109.6F274 W280 S281 A282 T287 I288 V289 I313F274-I285 HydrophobicContact CB-CD1 3.98Å; F274-I285 HydrophobicContact CB-CG1 4.5Å; F274-I285 HydrophobicContact CD2-CD1 4.49Å; F274-I285 HydrophobicContact CD2-CG1 4.19Å; F274-I285 HydrophobicContact CD2-CG2 3.73Å; F274-I285 HydrophobicContact CE2-CG2 3.99Å; F274-I285 HydrophobicContact CG-CD1 4.2Å; F274-I285 HydrophobicContact CG-CG1 4.18Å; F274-I285 HydrophobicContact CG-CG2 4.47Å; W280-I285 HydrophobicContact CB-CD1 3.61Å; W280-I285 HydrophobicContact CB-CG1 3.85Å; W280-I285 HydrophobicContact CG-CD1 4.39Å; W280-I285 HydrophobicContact CG-CG1 4.46Å; S281-I285 WeakPolarHBondContact O-CG1 3.33Å; S281-I285 PolarHBondContact O-N 3.49Å; A282-I285 PolarHBondContact O-N 2.84Å; I285-T287 PolarHBondContact O-N 3.07Å; I285-I288 PolarHBondContact O-N 3.36Å; I285-V289 HydrophobicContact CG2-CG2 4.24Å; I285-V289 WeakPolarHBondContact O-CG2 3.39Å; I285-V289 PolarHBondContact O-N 2.88Å; I285-I313 HydrophobicContact CG2-CB 4.42Å; I285-I313 HydrophobicContact CG2-CD1 4.47Å; I285-I313 HydrophobicContact CG2-CG2 3.96Å
286E97.1Very high95.2Very high51 Ų5150.8 Ų50.824%0.23827%0.265CS..Hα-helixtrans-60.5-45.7179.4176.4157-148.800111.5A282 D284 V289 R290 I313 K316 Y317A282-E286 WeakPolarHBondContact O-CB 3.36Å; A282-E286 PolarHBondContact O-N 3.31Å; D284-E286 VanDerWaalsContact C-N 3.34Å; D284-E286 PolarHBondContact O-N 3.42Å; E286-V289 PolarHBondContact O-N 3.09Å; E286-R290 WeakPolarHBondContact O-CB 3.38Å; E286-R290 PolarHBondContact O-N 2.92Å; E286-I313 HydrophobicContact CB-CG2 3.81Å; E286-I313 HydrophobicContact CG-CG2 4.42Å; E286-K316 IonicContact OE1-NZ 3.6Å; E286-K316 PolarHBondContact OE1-NZ 3.36Å; E286-Y317 HydrophobicContact CG-CE2 3.73Å; E286-Y317 WeakPolarHBondContact OE1-CE2 3.24Å; E286-Y317 PolarHBondContact OE1-OH 3.23Å
287T97.5Very high95.4Very high19 Ų1947.4 Ų47.412%0.11724%0.244CC..Hα-helixtrans-65-43.8179-550000111.8R131 E283 D284 I285 V289 D291R131-T287 HydrophobicContact CG-CG2 4.3Å; E283-T287 WeakPolarHBondContact O-CB 3.49Å; E283-T287 PolarHBondContact O-N 2.98Å; E283-T287 PolarHBondContact O-OG1 3.49Å; D284-T287 PolarHBondContact O-N 2.92Å; I285-T287 PolarHBondContact O-N 3.07Å; T287-V289 VanDerWaalsContact C-N 3.34Å; T287-V289 PolarHBondContact O-N 3.27Å; T287-D291 WeakPolarHBondContact CG2-OD2 3.37Å; T287-D291 WeakPolarHBondContact O-CB 3.36Å; T287-D291 PolarHBondContact O-N 2.83Å
288I97.8Very high95.6Very high1 Ų143 Ų431%0.00522%0.216CC..Iπ-helixtrans-57.7-48.5177.6-71167000110.5R131 L134 L264 W280 D284 I285 Y292 G293 I294R131-I288 HydrophobicContact CB-CD1 4.11Å; R131-I288 HydrophobicContact CB-CG1 3.99Å; R131-I288 HydrophobicContact CG-CG1 4.38Å; L134-I288 HydrophobicContact CD1-CB 4.44Å; L134-I288 HydrophobicContact CD1-CD1 4.44Å; L134-I288 HydrophobicContact CD1-CG1 3.84Å; L134-I288 HydrophobicContact CD1-CG2 4.01Å; L264-I288 HydrophobicContact CD2-CG2 3.95Å; W280-I288 HydrophobicContact CZ3-CD1 4.13Å; D284-I288 WeakPolarHBondContact O-CB 3.46Å; D284-I288 WeakPolarHBondContact O-CD1 3.37Å; D284-I288 WeakPolarHBondContact O-CG1 3.34Å; D284-I288 PolarHBondContact O-N 2.99Å; I285-I288 PolarHBondContact O-N 3.36Å; I288-Y292 WeakPolarHBondContact O-CB 3.33Å; I288-Y292 PolarHBondContact O-N 3.45Å; I288-G293 PolarHBondContact O-N 3.37Å; I288-I294 HydrophobicContact CG2-CD1 4.01Å; I288-I294 HydrophobicContact CG2-CG1 4.03Å
289V96.8Very high95.6Very high0 Ų034.8 Ų34.80%018%0.179CC..Iπ-helixtrans-77.7-36.9-173.6-173.60000111.4F274 I285 E286 T287 I294 L314 Y317 N320 V321F274-V289 HydrophobicContact CE2-CG2 4.49Å; I285-V289 HydrophobicContact CG2-CG2 4.24Å; I285-V289 WeakPolarHBondContact O-CG2 3.39Å; I285-V289 PolarHBondContact O-N 2.88Å; E286-V289 PolarHBondContact O-N 3.09Å; T287-V289 VanDerWaalsContact C-N 3.34Å; T287-V289 PolarHBondContact O-N 3.27Å; V289-I294 HydrophobicContact CG2-CD1 3.67Å; V289-I294 HydrophobicContact CG2-CG1 4.34Å; V289-L314 HydrophobicContact CG1-CD2 4.32Å; V289-L314 HydrophobicContact CG2-CD2 3.54Å; V289-Y317 HydrophobicContact CG1-CG 4.43Å; V289-N320 WeakPolarHBondContact O-CB 3.47Å; V289-N320 PolarHBondContact O-ND2 3.14Å; V289-V321 HydrophobicContact CG1-CG2 3.48Å; V289-V321 VanDerWaalsContact CG1-CG2 3.48Å
290R97.1Very high95.3Very high100 Ų10034.6 Ų34.638%0.37718%0.183SC..Iπ-helixtrans-71.4-52.7179.1-176.8-174.566-135-10.5112.2E286 Y317 N320E286-R290 WeakPolarHBondContact O-CB 3.38Å; E286-R290 PolarHBondContact O-N 2.92Å; R290-Y317 HydrophobicContact CB-CD1 4.03Å; R290-Y317 HydrophobicContact CB-CD2 4.48Å; R290-Y317 HydrophobicContact CB-CE1 3.76Å; R290-Y317 HydrophobicContact CB-CE2 4.25Å; R290-Y317 HydrophobicContact CB-CG 4.39Å; R290-Y317 HydrophobicContact CG-CD1 4.09Å; R290-Y317 HydrophobicContact CG-CE1 3.51Å; R290-N320 PolarHBondContact O-ND2 3.2Å; R290-N320 VanDerWaalsContact O-ND2 3.13Å
291D97Very high94.8Very high89 Ų8937.5 Ų37.548%0.47621%0.21SC..Iπ-helixtrans-92.5-29-164.6-59.5-20.1000112.8T287T287-D291 WeakPolarHBondContact CG2-OD2 3.37Å; T287-D291 WeakPolarHBondContact O-CB 3.36Å; T287-D291 PolarHBondContact O-N 2.83Å
292Y97.8Very high94.6Very high19 Ų1939.2 Ų39.28%0.07521%0.21CC..Iπ-helixtrans-108.6-51.5-179.9-58.5-75.3000111.7L134 D135 Y138 V262 K263 I288L134-Y292 HydrophobicContact CB-CD1 4.28Å; L134-Y292 HydrophobicContact CB-CD2 4.08Å; L134-Y292 HydrophobicContact CB-CE1 4.14Å; L134-Y292 HydrophobicContact CB-CE2 3.88Å; L134-Y292 HydrophobicContact CB-CG 4.26Å; L134-Y292 HydrophobicContact CD1-CD2 4.12Å; L134-Y292 HydrophobicContact CD1-CG 4.33Å; L134-Y292 HydrophobicContact CD2-CD1 4.21Å; L134-Y292 HydrophobicContact CD2-CG 4.13Å; L134-Y292 HydrophobicContact CG-CG 4.49Å; D135-Y292 VanDerWaalsContact CA-OH 3.23Å; D135-Y292 WeakPolarHBondContact CA-OH 3.47Å; D135-Y292 PolarHBondContact N-OH 3.45Å; D135-Y292 WeakPolarHBondContact OD1-CE2 3.37Å; D135-Y292 PolarHBondContact OD1-OH 3.04Å; Y138-Y292 HydrophobicContact CD1-CE1 4.45Å; Y138-Y292 HydrophobicContact CD2-CE1 4.34Å; Y138-Y292 AromaticContact CG-CE1 3.94Å; Y138-Y292 HydrophobicContact CG-CE1 3.94Å; V262-Y292 HydrophobicContact CB-CD1 4.17Å; V262-Y292 CarbonylContact O-C 3.47Å; V262-Y292 WeakPolarHBondContact O-CA 3.44Å; V262-Y292 WeakPolarHBondContact O-CB 3.38Å; K263-Y292 PolarHBondContact NZ-O 2.74Å; K263-Y292 VanDerWaalsContact NZ-O 3.08Å; I288-Y292 WeakPolarHBondContact O-CB 3.33Å; I288-Y292 PolarHBondContact O-N 3.45Å
293G97.1Very high94.4Very high0 Ų040.3 Ų40.30%021%0.207CC..  trans86.9163.2-171.800000112.8L264 I288 N320L264-G293 PolarHBondContact N-O 3.49Å; I288-G293 PolarHBondContact O-N 3.37Å; G293-N320 CarbonylContact C-O 3.58Å; G293-N320 VanDerWaalsContact CA-CG 3.42Å; G293-N320 VanDerWaalsContact CA-ND2 3.31Å; G293-N320 WeakPolarHBondContact CA-ND2 3.42Å; G293-N320 WeakPolarHBondContact CA-O 3.18Å; G293-N320 WeakPolarHBondContact CA-OD1 3.23Å; G293-N320 PolarHBondContact N-ND2 3.33Å
294I97.5Very high94.1Very high0 Ų034.7 Ų34.70%018%0.181CC..EExtended strand (participates in β ladder)trans-125.2137.4-172.5-60.5-178.5000109.4L264 L271 F274 I288 V289 C296 N320 V321 S322L264-I294 HydrophobicContact CB-CG1 4.44Å; L264-I294 HydrophobicContact CD2-CG1 4.47Å; L264-I294 CarbonylContact O-C 3.42Å; L264-I294 WeakPolarHBondContact O-CA 3.5Å; L271-I294 HydrophobicContact CD1-CD1 4.22Å; F274-I294 HydrophobicContact CE2-CD1 3.62Å; F274-I294 HydrophobicContact CZ-CD1 3.84Å; I288-I294 HydrophobicContact CG2-CD1 4.01Å; I288-I294 HydrophobicContact CG2-CG1 4.03Å; V289-I294 HydrophobicContact CG2-CD1 3.67Å; V289-I294 HydrophobicContact CG2-CG1 4.34Å; I294-C296 HydrophobicContact CG2-CB 4.35Å; I294-N320 PolarHBondContact N-O 3.37Å; I294-V321 HydrophobicContact CB-CG1 4.49Å; I294-V321 CarbonylContact O-C 3.32Å; I294-V321 WeakPolarHBondContact O-CA 3.3Å; I294-S322 PolarHBondContact O-N 3.43Å
295I97.5Very high93.8Very high0 Ų038.6 Ų38.60%020%0.202CC..EExtended strand (participates in β ladder)trans-109.8106164.8-53.6172.6000107.2L13 A33 I37 K263 L264 V265 C266 I297 S322 V324L13-I295 HydrophobicContact CD2-CD1 3.54Å; A33-I295 HydrophobicContact CB-CB 4.28Å; A33-I295 HydrophobicContact CB-CD1 4Å; A33-I295 HydrophobicContact CB-CG2 3.71Å; I37-I295 HydrophobicContact CD1-CD1 3.71Å; I37-I295 HydrophobicContact CD1-CG1 4.35Å; I37-I295 HydrophobicContact CG1-CD1 3.5Å; K263-I295 HydrophobicContact CB-CD1 4.03Å; K263-I295 HydrophobicContact CB-CG1 4.18Å; K263-I295 HydrophobicContact CD-CD1 4.07Å; K263-I295 HydrophobicContact CD-CG1 4.12Å; L264-I295 PolarHBondContact O-N 2.96Å; V265-I295 WeakPolarHBondContact CA-O 3.14Å; V265-I295 HydrophobicContact CG2-CB 4.37Å; V265-I295 HydrophobicContact CG2-CD1 4.37Å; C266-I295 PolarHBondContact N-O 3.02Å; I295-I297 HydrophobicContact CG2-CD1 4.28Å; I295-S322 CarbonylContact C-O 3.54Å; I295-S322 WeakPolarHBondContact CA-O 3.46Å; I295-V324 HydrophobicContact CG2-CG2 3.65Å
296C96.7Very high93.6Very high0 Ų043.6 Ų43.60%022%0.223CC..EExtended strand (participates in β ladder)trans-97119.8-176.8-178.50000110.1C266 A268 L271 I294 S322 L323 V324C266-C296 CarbonylContact O-C 3.55Å; C266-C296 WeakPolarHBondContact O-CA 3.31Å; A268-C296 VanDerWaalsContact CA-SG 3.56Å; L271-C296 HydrophobicContact CD2-CB 4.18Å; I294-C296 HydrophobicContact CG2-CB 4.35Å; C296-S322 PolarHBondContact N-O 2.92Å; C296-L323 WeakPolarHBondContact O-CD1 3.25Å; C296-V324 PolarHBondContact O-N 3.13Å
297I95.3Very high93.3Very high0 Ų041.2 Ų41.20%021%0.212CC..EExtended strand (participates in β ladder)trans-87.9125.6174.1-47.9-54.4000109.2M25 M29 L32 A33 V265 C266 G267 A268 I295 V324 D326M25-I297 HydrophobicContact CE-CG2 4.43Å; M29-I297 HydrophobicContact CB-CG1 3.88Å; M29-I297 HydrophobicContact CG-CB 4.17Å; M29-I297 HydrophobicContact CG-CG1 3.85Å; M29-I297 HydrophobicContact CG-CG2 4.24Å; M29-I297 HydrophobicContact SD-CB 4.39Å; M29-I297 HydrophobicContact SD-CG1 4.3Å; L32-I297 HydrophobicContact CB-CD1 4.06Å; L32-I297 HydrophobicContact CD1-CG2 3.96Å; A33-I297 HydrophobicContact CB-CD1 4.43Å; V265-I297 HydrophobicContact CG1-CG1 4.41Å; C266-I297 PolarHBondContact O-N 3.02Å; G267-I297 CarbonylContact C-O 3.5Å; A268-I297 PolarHBondContact N-O 3.02Å; I295-I297 HydrophobicContact CG2-CD1 4.28Å; I297-V324 HydrophobicContact CD1-CB 3.66Å; I297-V324 HydrophobicContact CD1-CG1 4.19Å; I297-V324 HydrophobicContact CD1-CG2 3.94Å; I297-D326 HydrophobicContact CG2-CB 4.2Å
298S92.5Very high93Very high21 Ų2140.5 Ų40.515%0.14721%0.207CC..PPolyproline II helixtrans-60144.4178.968.50000111.4V324 I325 D326S298-V324 PolarHBondContact N-O 3.19Å; S298-V324 PolarHBondContact OG-O 3.14Å; S298-I325 WeakPolarHBondContact OG-CA 3.42Å; S298-D326 PolarHBondContact OG-N 3.29Å
299R88.5Confident92.7Very high43 Ų4345.6 Ų45.616%0.16224%0.235CC..  trans-128.8145.4170.3-59.4-163.999.9-156.2-3.3109.1D269 S301 Y302 L332D269-R299 IonicContact OD2-CZ 2.78Å; D269-R299 IonicContact OD2-NH1 3.62Å; D269-R299 PolarHBondContact OD2-NH1 3.33Å; R299-S301 PolarHBondContact O-N 2.96Å; R299-Y302 HydrophobicContact CB-CD2 3.96Å; R299-Y302 PolarHBondContact O-N 3.28Å; R299-Y302 VanDerWaalsContact O-O 3.09Å; R299-L332 PolarHBondContact NH2-O 3.28Å; R299-L332 VanDerWaalsContact NH2-O 3.08Å
300P84Confident92.4Very high77 Ų7750.7 Ų50.750%0.526%0.259SS..THydrogen-bonded Turntrans-55.4-27.2-172-29.136.2000115.6Q329P300-Q329 HydrophobicContact CG-CB 3.96Å
301S84.4Confident92.2Very high109 Ų10947.1 Ų47.176%0.76225%0.249SC*.THydrogen-bonded Turntrans-91.4-0.3-177-50.40000114.7R299R299-S301 PolarHBondContact O-N 2.96Å
302Y88.8Confident92Very high87 Ų8750.1 Ų50.134%0.34127%0.265SS..  trans-132.8137-172.4-60.9-89.9000110.4A268 D269 E272 R299 P304A268-Y302 HydrophobicContact CB-CG 4.26Å; D269-Y302 HydrophobicContact CB-CD2 4.22Å; D269-Y302 HydrophobicContact CB-CE1 4.14Å; D269-Y302 HydrophobicContact CB-CE2 3.61Å; E272-Y302 HydrophobicContact CB-CD1 3.8Å; E272-Y302 HydrophobicContact CB-CE1 3.95Å; E272-Y302 HydrophobicContact CG-CD1 4.07Å; E272-Y302 HydrophobicContact CG-CE1 4.08Å; R299-Y302 HydrophobicContact CB-CD2 3.96Å; R299-Y302 PolarHBondContact O-N 3.28Å; R299-Y302 VanDerWaalsContact O-O 3.09Å; Y302-P304 WeakPolarHBondContact O-CD 3.46Å
303D90.7Very high91.8Very high86 Ų8650.9 Ų50.946%0.4627%0.27SS..  trans-103.295.7173-178.8-5.8000109.8L305 K306 I307D303-L305 VanDerWaalsContact C-N 3.27Å; D303-L305 PolarHBondContact O-N 3.33Å; D303-L305 PolarHBondContact OD1-N 3.39Å; D303-L305 VanDerWaalsContact OD1-N 3.07Å; D303-K306 HydrophobicContact CB-CB 3.92Å; D303-K306 PolarHBondContact O-N 2.67Å; D303-K306 PolarHBondContact OD1-N 3.21Å; D303-K306 WeakPolarHBondContact OD2-CB 3.41Å; D303-I307 VanDerWaalsContact O-CG1 3.3Å; D303-I307 WeakPolarHBondContact O-CG1 3.3Å; D303-I307 PolarHBondContact O-N 3.34Å
304P88.5Confident91.6Very high8 Ų851 Ų515%0.05227%0.27CS..Hα-helixtrans-63.4-29-177.922.7-31.1000113.8A268 L271 Y302 I307 I308 L323A268-P304 HydrophobicContact CB-CB 4.4Å; L271-P304 HydrophobicContact CD2-CB 4.47Å; Y302-P304 WeakPolarHBondContact O-CD 3.46Å; P304-I307 PolarHBondContact O-N 3.08Å; P304-I308 WeakPolarHBondContact O-CD1 3.49Å; P304-I308 VanDerWaalsContact O-CG1 3.23Å; P304-I308 WeakPolarHBondContact O-CG1 3.32Å; P304-I308 PolarHBondContact O-N 3.47Å; P304-L323 HydrophobicContact CB-CD1 3.68Å; P304-L323 HydrophobicContact CB-CD2 4.35Å; P304-L323 HydrophobicContact CG-CD1 3.24Å; P304-L323 HydrophobicContact CG-CD2 3.78Å; P304-L323 HydrophobicContact CG-CG 4.17Å
305L90.4Very high91.4Very high88 Ų8852.6 Ų52.646%0.46129%0.287SS..Hα-helixtrans-69.3-42.8177.9-70175.9000110.7D303 I307 I308 N309 L323D303-L305 VanDerWaalsContact C-N 3.27Å; D303-L305 PolarHBondContact O-N 3.33Å; D303-L305 PolarHBondContact OD1-N 3.39Å; D303-L305 VanDerWaalsContact OD1-N 3.07Å; L305-I307 VanDerWaalsContact C-N 3.34Å; L305-I308 PolarHBondContact O-N 3.12Å; L305-N309 WeakPolarHBondContact O-CB 3.41Å; L305-N309 PolarHBondContact O-N 3.11Å; L305-N309 PolarHBondContact O-ND2 3.37Å; L305-L323 HydrophobicContact CD1-CD2 4.48Å; L305-L323 HydrophobicContact CD2-CD2 3.82Å; L305-L323 HydrophobicContact CG-CD2 3.79Å
306K92.2Very high91.3Very high117 Ų11759.1 Ų59.151%0.50932%0.316SS..Hα-helixtrans-59.6-45.1172.7-177.3177.4176.6-178.80111.4D303 I308 N309 E310D303-K306 HydrophobicContact CB-CB 3.92Å; D303-K306 PolarHBondContact O-N 2.67Å; D303-K306 PolarHBondContact OD1-N 3.21Å; D303-K306 WeakPolarHBondContact OD2-CB 3.41Å; K306-I308 VanDerWaalsContact C-N 3.35Å; K306-I308 PolarHBondContact O-N 2.85Å; K306-N309 PolarHBondContact O-N 3.34Å; K306-E310 WeakPolarHBondContact CE-OE1 3.49Å; K306-E310 HydrophobicContact CG-CG 4.36Å; K306-E310 WeakPolarHBondContact CG-OE1 3.5Å; K306-E310 IonicContact NZ-OE1 2.74Å; K306-E310 WeakPolarHBondContact O-CB 3.31Å; K306-E310 VanDerWaalsContact O-CG 3.32Å; K306-E310 WeakPolarHBondContact O-CG 3.34Å; K306-E310 PolarHBondContact O-N 3.26Å
307I90.7Very high91.3Very high1 Ų161.2 Ų61.21%0.00532%0.324CS..Hα-helixtrans-57.6-45.8177.8-64.9165.3000112L271 E272 D303 P304 L305 S311 L314L271-I307 HydrophobicContact CD2-CB 4.49Å; L271-I307 HydrophobicContact CD2-CG2 4.04Å; L271-I307 HydrophobicContact CG-CG2 3.8Å; E272-I307 HydrophobicContact CB-CD1 3.77Å; E272-I307 HydrophobicContact CG-CD1 4.41Å; E272-I307 WeakPolarHBondContact OE2-CD1 3.38Å; E272-I307 WeakPolarHBondContact OE2-CG1 3.45Å; D303-I307 VanDerWaalsContact O-CG1 3.3Å; D303-I307 WeakPolarHBondContact O-CG1 3.3Å; D303-I307 PolarHBondContact O-N 3.34Å; P304-I307 PolarHBondContact O-N 3.08Å; L305-I307 VanDerWaalsContact C-N 3.34Å; I307-S311 PolarHBondContact O-N 3.09Å; I307-L314 HydrophobicContact CG2-CD1 4.07Å
308I91.1Very high91.2Very high4 Ų465.9 Ų65.92%0.02134%0.344CS..Hα-helixtrans-65.9-44.9-179.1-68.3163.4000110.7L271 P304 L305 K306 E310 S311 L314 G315 K318 V321L271-I308 HydrophobicContact CD2-CD1 4.47Å; L271-I308 HydrophobicContact CD2-CG1 4.1Å; P304-I308 WeakPolarHBondContact O-CD1 3.49Å; P304-I308 VanDerWaalsContact O-CG1 3.23Å; P304-I308 WeakPolarHBondContact O-CG1 3.32Å; P304-I308 PolarHBondContact O-N 3.47Å; L305-I308 PolarHBondContact O-N 3.12Å; K306-I308 VanDerWaalsContact C-N 3.35Å; K306-I308 PolarHBondContact O-N 2.85Å; I308-E310 PolarHBondContact O-N 2.86Å; I308-S311 PolarHBondContact O-N 3.37Å; I308-L314 HydrophobicContact CB-CB 4.43Å; I308-L314 HydrophobicContact CG1-CB 4.48Å; I308-L314 HydrophobicContact CG1-CD1 4.47Å; I308-L314 HydrophobicContact CG2-CB 4.19Å; I308-G315 PolarHBondContact O-N 3.25Å; I308-K318 HydrophobicContact CG2-CB 4.45Å; I308-K318 HydrophobicContact CG2-CD 4.39Å; I308-K318 HydrophobicContact CG2-CG 4.13Å; I308-V321 HydrophobicContact CD1-CB 4.44Å; I308-V321 HydrophobicContact CD1-CG1 3.67Å; I308-V321 HydrophobicContact CG1-CG1 4.24Å
309N91.3Very high91.2Very high108 Ų10872.7 Ų72.758%0.57838%0.379SS*.Hα-helixtrans-69.5-31-176.9-68-21.5000113L305 K306 S311L305-N309 WeakPolarHBondContact O-CB 3.41Å; L305-N309 PolarHBondContact O-N 3.11Å; L305-N309 PolarHBondContact O-ND2 3.37Å; K306-N309 PolarHBondContact O-N 3.34Å; N309-S311 VanDerWaalsContact C-N 3.31Å
310E92.1Very high91.5Very high108 Ų10872.8 Ų72.851%0.50538%0.383SS..Hα-helixtrans-77.3-15.6178-72.8175.1171.900113.4K275 K306 I308K275-E310 WeakPolarHBondContact CE-OE2 3.22Å; K275-E310 IonicContact NZ-OE2 3.4Å; K275-E310 PolarHBondContact NZ-OE2 3.27Å; K306-E310 WeakPolarHBondContact CE-OE1 3.49Å; K306-E310 HydrophobicContact CG-CG 4.36Å; K306-E310 WeakPolarHBondContact CG-OE1 3.5Å; K306-E310 IonicContact NZ-OE1 2.74Å; K306-E310 WeakPolarHBondContact O-CB 3.31Å; K306-E310 VanDerWaalsContact O-CG 3.32Å; K306-E310 WeakPolarHBondContact O-CG 3.34Å; K306-E310 PolarHBondContact O-N 3.26Å; I308-E310 PolarHBondContact O-N 2.86Å
311S91.4Very high92Very high25 Ų2569.7 Ų69.718%0.17536%0.362CS..  trans-102.4120.9-178.1172.20000111.4I307 I308 N309 I313 L314 G315I307-S311 PolarHBondContact O-N 3.09Å; I308-S311 PolarHBondContact O-N 3.37Å; N309-S311 VanDerWaalsContact C-N 3.31Å; S311-I313 PolarHBondContact O-N 3.15Å; S311-L314 PolarHBondContact O-N 2.68Å; S311-L314 WeakPolarHBondContact OG-CG 3.48Å; S311-L314 PolarHBondContact OG-N 2.81Å; S311-G315 PolarHBondContact O-N 3.48Å
312N93Very high92.5Very high151 Ų15165.5 Ų65.581%0.80733%0.333SS*.Hα-helixtrans-57.5-37.6176.4-68-18.8000112.4K316N312-K316 VanDerWaalsContact O-CB 3.28Å; N312-K316 WeakPolarHBondContact O-CB 3.21Å; N312-K316 PolarHBondContact O-N 2.95Å; N312-K316 VanDerWaalsContact O-N 3.15Å
313I94Very high92.7Very high36 Ų3663.2 Ų63.219%0.18533%0.326CS..Hα-helixtrans-74.9-47.6-178.5-58.8174000110.5A282 I285 E286 S311 K316 Y317A282-I313 HydrophobicContact CB-CD1 4.14Å; I285-I313 HydrophobicContact CG2-CB 4.42Å; I285-I313 HydrophobicContact CG2-CD1 4.47Å; I285-I313 HydrophobicContact CG2-CG2 3.96Å; E286-I313 HydrophobicContact CB-CG2 3.81Å; E286-I313 HydrophobicContact CG-CG2 4.42Å; S311-I313 PolarHBondContact O-N 3.15Å; I313-K316 PolarHBondContact O-N 3.34Å; I313-Y317 HydrophobicContact CG2-CD2 4.32Å; I313-Y317 WeakPolarHBondContact O-CD2 3.06Å; I313-Y317 PolarHBondContact O-N 2.99Å
314L93.9Very high92.9Very high1 Ų159.8 Ų59.81%0.00531%0.309CS..Hα-helixtrans-66.9-39.5-180-61.8176.8000111.5L271 F274 V289 I307 I308 S311 Y317 K318 V321L271-L314 HydrophobicContact CD1-CD1 3.86Å; L271-L314 HydrophobicContact CD1-CD2 4.15Å; L271-L314 HydrophobicContact CG-CD1 4.18Å; F274-L314 HydrophobicContact CD2-CD1 4.37Å; F274-L314 HydrophobicContact CD2-CD2 4.12Å; F274-L314 HydrophobicContact CE2-CD2 4.23Å; V289-L314 HydrophobicContact CG1-CD2 4.32Å; V289-L314 HydrophobicContact CG2-CD2 3.54Å; I307-L314 HydrophobicContact CG2-CD1 4.07Å; I308-L314 HydrophobicContact CB-CB 4.43Å; I308-L314 HydrophobicContact CG1-CB 4.48Å; I308-L314 HydrophobicContact CG1-CD1 4.47Å; I308-L314 HydrophobicContact CG2-CB 4.19Å; S311-L314 PolarHBondContact O-N 2.68Å; S311-L314 WeakPolarHBondContact OG-CG 3.48Å; S311-L314 PolarHBondContact OG-N 2.81Å; L314-Y317 CarbonylContact O-C 3.52Å; L314-Y317 PolarHBondContact O-N 3.3Å; L314-K318 WeakPolarHBondContact O-CA 3.45Å; L314-K318 PolarHBondContact O-N 3.2Å; L314-V321 HydrophobicContact CD2-CG2 4.48Å
315G92.7Very high93.1Very high35 Ų3564.7 Ų64.736%0.36133%0.333SS..Hα-helixtrans-61.1-42174.700000112.6I308 S311 Y317 K318I308-G315 PolarHBondContact O-N 3.25Å; S311-G315 PolarHBondContact O-N 3.48Å; G315-Y317 VanDerWaalsContact C-N 3.3Å; G315-Y317 PolarHBondContact O-N 2.74Å; G315-K318 PolarHBondContact O-N 3.5Å
316K95.5Very high93.1Very high136 Ų13660.7 Ų60.759%0.59131%0.312SS*.Hα-helixtrans-60.5-35.5177.1178.9-179.4172.6-1680113E286 N312 I313E286-K316 IonicContact OE1-NZ 3.6Å; E286-K316 PolarHBondContact OE1-NZ 3.36Å; N312-K316 VanDerWaalsContact O-CB 3.28Å; N312-K316 WeakPolarHBondContact O-CB 3.21Å; N312-K316 PolarHBondContact O-N 2.95Å; N312-K316 VanDerWaalsContact O-N 3.15Å; I313-K316 PolarHBondContact O-N 3.34Å
317Y95.4Very high92.8Very high44 Ų4462 Ų6217%0.17333%0.325CS..THydrogen-bonded Turntrans-115.331.6-177.5-59.1-75.1000112.8E286 V289 R290 I313 L314 G315 D319 N320E286-Y317 HydrophobicContact CG-CE2 3.73Å; E286-Y317 WeakPolarHBondContact OE1-CE2 3.24Å; E286-Y317 PolarHBondContact OE1-OH 3.23Å; V289-Y317 HydrophobicContact CG1-CG 4.43Å; R290-Y317 HydrophobicContact CB-CD1 4.03Å; R290-Y317 HydrophobicContact CB-CD2 4.48Å; R290-Y317 HydrophobicContact CB-CE1 3.76Å; R290-Y317 HydrophobicContact CB-CE2 4.25Å; R290-Y317 HydrophobicContact CB-CG 4.39Å; R290-Y317 HydrophobicContact CG-CD1 4.09Å; R290-Y317 HydrophobicContact CG-CE1 3.51Å; I313-Y317 HydrophobicContact CG2-CD2 4.32Å; I313-Y317 WeakPolarHBondContact O-CD2 3.06Å; I313-Y317 PolarHBondContact O-N 2.99Å; L314-Y317 CarbonylContact O-C 3.52Å; L314-Y317 PolarHBondContact O-N 3.3Å; G315-Y317 VanDerWaalsContact C-N 3.3Å; G315-Y317 PolarHBondContact O-N 2.74Å; Y317-D319 PolarHBondContact O-N 3.47Å; Y317-D319 VanDerWaalsContact O-N 3.15Å; Y317-N320 PolarHBondContact O-N 3.11Å
318K93.3Very high92.5Very high98 Ų9866.4 Ų66.443%0.42636%0.355SS..G310 helixtrans-54.7-35.6-175.3-179.6176.3177.1178.90113.2I308 L314 G315 N320 V321I308-K318 HydrophobicContact CG2-CB 4.45Å; I308-K318 HydrophobicContact CG2-CD 4.39Å; I308-K318 HydrophobicContact CG2-CG 4.13Å; L314-K318 WeakPolarHBondContact O-CA 3.45Å; L314-K318 PolarHBondContact O-N 3.2Å; G315-K318 PolarHBondContact O-N 3.5Å; K318-N320 PolarHBondContact O-N 3.36Å; K318-V321 PolarHBondContact O-N 3.11Å
319D92.7Very high92Very high165 Ų16572.8 Ų72.888%0.88238%0.384SS*.G310 helixtrans-66.5-20.1-179.5-62.1-23.6000113.3Y317Y317-D319 PolarHBondContact O-N 3.47Å; Y317-D319 VanDerWaalsContact O-N 3.15Å
320N95Very high91.4Very high44 Ų4470 Ų7024%0.23537%0.369CS..G310 helixtrans-988173.6-152.514.9000113.1K263 V289 R290 G293 I294 Y317 K318K263-N320 PolarHBondContact NZ-OD1 3.41Å; V289-N320 WeakPolarHBondContact O-CB 3.47Å; V289-N320 PolarHBondContact O-ND2 3.14Å; R290-N320 PolarHBondContact O-ND2 3.2Å; R290-N320 VanDerWaalsContact O-ND2 3.13Å; G293-N320 CarbonylContact C-O 3.58Å; G293-N320 VanDerWaalsContact CA-CG 3.42Å; G293-N320 VanDerWaalsContact CA-ND2 3.31Å; G293-N320 WeakPolarHBondContact CA-ND2 3.42Å; G293-N320 WeakPolarHBondContact CA-O 3.18Å; G293-N320 WeakPolarHBondContact CA-OD1 3.23Å; G293-N320 PolarHBondContact N-ND2 3.33Å; I294-N320 PolarHBondContact N-O 3.37Å; Y317-N320 PolarHBondContact O-N 3.11Å; K318-N320 PolarHBondContact O-N 3.36Å
321V95.1Very high91.2Very high13 Ų1369 Ų698%0.07938%0.375CS..EExtended strand (participates in β ladder)trans-111.6102.1172.7-175.60000109.2V289 I294 I308 L314 K318V289-V321 HydrophobicContact CG1-CG2 3.48Å; V289-V321 VanDerWaalsContact CG1-CG2 3.48Å; I294-V321 HydrophobicContact CB-CG1 4.49Å; I294-V321 CarbonylContact O-C 3.32Å; I294-V321 WeakPolarHBondContact O-CA 3.3Å; I308-V321 HydrophobicContact CD1-CB 4.44Å; I308-V321 HydrophobicContact CD1-CG1 3.67Å; I308-V321 HydrophobicContact CG1-CG1 4.24Å; L314-V321 HydrophobicContact CD2-CG2 4.48Å; K318-V321 PolarHBondContact O-N 3.11Å
322S94.6Very high91.3Very high21 Ų2168.6 Ų68.615%0.14737%0.371CS..EExtended strand (participates in β ladder)trans-89117.4176.8-68.90000110.9I294 I295 C296I294-S322 PolarHBondContact O-N 3.43Å; I295-S322 CarbonylContact C-O 3.54Å; I295-S322 WeakPolarHBondContact CA-O 3.46Å; C296-S322 PolarHBondContact N-O 2.92Å
323L94.1Very high91.3Very high38 Ų3863.3 Ų63.320%0.19935%0.345CS..EExtended strand (participates in β ladder)trans-86.1133170.8176.657.7000110.7C296 P304 L305C296-L323 WeakPolarHBondContact O-CD1 3.25Å; P304-L323 HydrophobicContact CB-CD1 3.68Å; P304-L323 HydrophobicContact CB-CD2 4.35Å; P304-L323 HydrophobicContact CG-CD1 3.24Å; P304-L323 HydrophobicContact CG-CD2 3.78Å; P304-L323 HydrophobicContact CG-CG 4.17Å; L305-L323 HydrophobicContact CD1-CD2 4.48Å; L305-L323 HydrophobicContact CD2-CD2 3.82Å; L305-L323 HydrophobicContact CG-CD2 3.79Å
324V94.3Very high91.4Very high14 Ų1462.4 Ų62.49%0.08534%0.342CS..EExtended strand (participates in β ladder)trans-120.3124.6172.4-171.80000109.4L32 K36 I295 C296 I297 S298L32-V324 HydrophobicContact CB-CG1 3.99Å; L32-V324 HydrophobicContact CD2-CG1 4.46Å; K36-V324 HydrophobicContact CB-CG2 3.59Å; K36-V324 HydrophobicContact CD-CG2 4.21Å; K36-V324 HydrophobicContact CG-CG2 3.66Å; I295-V324 HydrophobicContact CG2-CG2 3.65Å; C296-V324 PolarHBondContact O-N 3.13Å; I297-V324 HydrophobicContact CD1-CB 3.66Å; I297-V324 HydrophobicContact CD1-CG1 4.19Å; I297-V324 HydrophobicContact CD1-CG2 3.94Å; S298-V324 PolarHBondContact N-O 3.19Å; S298-V324 PolarHBondContact OG-O 3.14Å
325I91.9Very high91.5Very high112 Ų11266.4 Ų66.457%0.57437%0.367SS*.  trans-88.7118.7177.1-58.6176000108.4S298 N327S298-I325 WeakPolarHBondContact OG-CA 3.42Å; I325-N327 PolarHBondContact O-N 2.85Å
326D90.2Very high91.7Very high4 Ų469.4 Ų69.42%0.02137%0.37CS..  trans-8498.4169.8179.724000109.8L32 I297 S298 C328 Q329 N330L32-D326 HydrophobicContact CD1-CB 3.83Å; I297-D326 HydrophobicContact CG2-CB 4.2Å; S298-D326 PolarHBondContact OG-N 3.29Å; D326-C328 PolarHBondContact O-N 3.03Å; D326-C328 WeakPolarHBondContact OD1-CB 3.15Å; D326-C328 PolarHBondContact OD1-N 2.99Å; D326-C328 VanDerWaalsContact OD1-N 3.1Å; D326-Q329 PolarHBondContact O-N 3.31Å; D326-N330 WeakPolarHBondContact OD2-CB 3.33Å; D326-N330 PolarHBondContact OD2-N 3.08Å
327N86.9Confident91.8Very high145 Ų14563 Ų6378%0.77534%0.342SS*.THydrogen-bonded Turntrans-63.3-19.8178.4-65.9-28.9000113I325 Q329I325-N327 PolarHBondContact O-N 2.85Å; N327-Q329 PolarHBondContact O-N 3.02Å
328C84.6Confident91.9Very high93 Ų9363.3 Ų63.363%0.62834%0.343SS*.THydrogen-bonded Turntrans-76.6-10.4174.7-62.20000112.8D326 N330D326-C328 PolarHBondContact O-N 3.03Å; D326-C328 WeakPolarHBondContact OD1-CB 3.15Å; D326-C328 PolarHBondContact OD1-N 2.99Å; D326-C328 VanDerWaalsContact OD1-N 3.1Å; C328-N330 PolarHBondContact O-N 3.07Å
329Q80.9Confident92Very high137 Ų13763.5 Ų63.564%0.6435%0.345SS*.  trans49.741.6-177.6-63.6-171.8-13.300112.6P300 D326 N327 S331P300-Q329 HydrophobicContact CG-CB 3.96Å; D326-Q329 PolarHBondContact O-N 3.31Å; N327-Q329 PolarHBondContact O-N 3.02Å; Q329-S331 PolarHBondContact O-N 3.38Å
330N78.2Confident92.2Very high49 Ų4955.7 Ų55.726%0.26230%0.303SS..  trans-70.299.8-172.3-169-9.5000111.5M25 D326 C328 L332M25-N330 HydrophobicContact SD-CB 4.34Å; D326-N330 WeakPolarHBondContact OD2-CB 3.33Å; D326-N330 PolarHBondContact OD2-N 3.08Å; C328-N330 PolarHBondContact O-N 3.07Å; N330-L332 VanDerWaalsContact C-N 3.27Å; N330-L332 PolarHBondContact O-N 3.25Å; N330-L332 WeakPolarHBondContact OD1-CB 3.35Å; N330-L332 PolarHBondContact OD1-N 3.07Å; N330-L332 VanDerWaalsContact OD1-N 3.11Å
331S86.9Confident92.3Very high89 Ų8953.6 Ų53.662%0.62229%0.292SS*.  trans-85.56.3-179.963.10000113.8Q329 S333Q329-S331 PolarHBondContact O-N 3.38Å; S331-S333 PolarHBondContact O-N 3.03Å
332L93.4Very high92.3Very high16 Ų1655.5 Ų55.58%0.08431%0.306CS..  trans-56128.4-177.8-176.466.2000111.5M25 R299 N330 F336 I337 L350M25-L332 HydrophobicContact CB-CB 4.08Å; M25-L332 HydrophobicContact CB-CD2 4.36Å; R299-L332 PolarHBondContact NH2-O 3.28Å; R299-L332 VanDerWaalsContact NH2-O 3.08Å; N330-L332 VanDerWaalsContact C-N 3.27Å; N330-L332 PolarHBondContact O-N 3.25Å; N330-L332 WeakPolarHBondContact OD1-CB 3.35Å; N330-L332 PolarHBondContact OD1-N 3.07Å; N330-L332 VanDerWaalsContact OD1-N 3.11Å; L332-F336 HydrophobicContact CD1-CD1 3.73Å; L332-F336 HydrophobicContact CD1-CE1 4.29Å; L332-I337 HydrophobicContact CD1-CD1 3.8Å; L332-I337 HydrophobicContact CD1-CG1 4.19Å; L332-L350 HydrophobicContact CD1-CB 4.24Å; L332-L350 HydrophobicContact CD1-CD1 4.16Å; L332-L350 HydrophobicContact CD1-CD2 4.49Å; L332-L350 HydrophobicContact CD2-CB 3.95Å; L332-L350 HydrophobicContact CD2-CD2 4.46Å; L332-L350 WeakPolarHBondContact CD2-O 3.34Å
333S94.1Very high92.3Very high40 Ų4060.1 Ų60.128%0.2833%0.325SS..  trans-125.7150.8178.972.10000111.2S331 T335 F336 I337S331-S333 PolarHBondContact O-N 3.03Å; S333-T335 PolarHBondContact O-N 3.37Å; S333-F336 WeakPolarHBondContact O-CB 3.03Å; S333-F336 PolarHBondContact O-N 3.26Å; S333-F336 VanDerWaalsContact O-N 3.13Å; S333-F336 PolarHBondContact OG-N 2.97Å; S333-F336 VanDerWaalsContact OG-N 3.1Å; S333-I337 PolarHBondContact O-N 3.21Å; S333-I337 VanDerWaalsContact O-N 3.14Å
334S96.7Very high92.2Very high16 Ų1659.6 Ų59.611%0.11233%0.329CS..Hα-helixtrans-59.5-28.2172.1-51.10000112N20 P21 H26 I337 R338N20-S334 WeakPolarHBondContact O-CB 3.21Å; P21-S334 WeakPolarHBondContact O-CB 3.49Å; P21-S334 PolarHBondContact O-OG 3.45Å; H26-S334 PolarHBondContact CE1-OG 3.27Å; S334-I337 PolarHBondContact O-N 2.94Å; S334-R338 WeakPolarHBondContact O-CG 3.32Å; S334-R338 PolarHBondContact O-N 2.97Å; S334-R338 PolarHBondContact O-NH1 3.07Å
335T95.8Very high92.3Very high85 Ų8563.6 Ų63.652%0.52135%0.347SS..Hα-helixtrans-64.9-43.8175.7-61.60000111.8S333 R338 H339S333-T335 PolarHBondContact O-N 3.37Å; T335-R338 PolarHBondContact O-N 3.39Å; T335-R338 PolarHBondContact OG1-NH2 3.13Å; T335-H339 PolarHBondContact O-N 3.03Å; T335-H339 VanDerWaalsContact O-N 3.08Å
336F96.1Very high92.4Very high99 Ų9962.5 Ų62.543%0.43435%0.349SS..Hα-helixtrans-59.4-46.7172.7175.1-94.9000111.3L332 S333 R338 H339 A340 L350L332-F336 HydrophobicContact CD1-CD1 3.73Å; L332-F336 HydrophobicContact CD1-CE1 4.29Å; S333-F336 WeakPolarHBondContact O-CB 3.03Å; S333-F336 PolarHBondContact O-N 3.26Å; S333-F336 VanDerWaalsContact O-N 3.13Å; S333-F336 PolarHBondContact OG-N 2.97Å; S333-F336 VanDerWaalsContact OG-N 3.1Å; F336-R338 PolarHBondContact O-N 3.3Å; F336-H339 WeakPolarHBondContact O-CB 3.02Å; F336-H339 PolarHBondContact O-N 2.78Å; F336-A340 WeakPolarHBondContact O-CB 3.46Å; F336-A340 PolarHBondContact O-N 2.72Å; F336-L350 HydrophobicContact CE1-CD1 3.83Å
337I97.6Very high92.7Very high0 Ų062.3 Ų62.30%035%0.348CS..Hα-helixtrans-57.8-47.9178-64.1-60.2000112.1P21 T23 L332 S333 S334 H339 A340 L341 V347 L350 V351P21-I337 HydrophobicContact CG-CB 4.32Å; P21-I337 HydrophobicContact CG-CG2 3.57Å; T23-I337 HydrophobicContact CG2-CG1 3.74Å; L332-I337 HydrophobicContact CD1-CD1 3.8Å; L332-I337 HydrophobicContact CD1-CG1 4.19Å; S333-I337 PolarHBondContact O-N 3.21Å; S333-I337 VanDerWaalsContact O-N 3.14Å; S334-I337 PolarHBondContact O-N 2.94Å; I337-H339 VanDerWaalsContact C-N 3.29Å; I337-H339 PolarHBondContact O-N 3.49Å; I337-A340 PolarHBondContact O-N 2.81Å; I337-L341 HydrophobicContact CG2-CD1 3.74Å; I337-L341 HydrophobicContact CG2-CG 4.3Å; I337-L341 WeakPolarHBondContact O-CB 3.28Å; I337-L341 VanDerWaalsContact O-CG 3.24Å; I337-L341 WeakPolarHBondContact O-CG 3.46Å; I337-L341 PolarHBondContact O-N 3.22Å; I337-V347 HydrophobicContact CD1-CB 4.01Å; I337-V347 HydrophobicContact CD1-CG1 4.01Å; I337-V347 HydrophobicContact CG2-CG1 4.46Å; I337-L350 HydrophobicContact CD1-CB 3.62Å; I337-L350 HydrophobicContact CD1-CD1 4.03Å; I337-V351 HydrophobicContact CD1-CG2 3.87Å; I337-V351 HydrophobicContact CG1-CG2 4.13Å; I337-V351 HydrophobicContact CG2-CG2 3.84Å
338R97.4Very high93.1Very high52 Ų5259.9 Ų59.920%0.19633%0.328CS..Hα-helixtrans-60.8-40.3178.4-67.5-167.6-52.2-77.2-5.6111.8N20 S334 T335 F336 S342 Y365N20-R338 WeakPolarHBondContact O-CD 3.34Å; N20-R338 PolarHBondContact O-NH1 3.43Å; S334-R338 WeakPolarHBondContact O-CG 3.32Å; S334-R338 PolarHBondContact O-N 2.97Å; S334-R338 PolarHBondContact O-NH1 3.07Å; T335-R338 PolarHBondContact O-N 3.39Å; T335-R338 PolarHBondContact OG1-NH2 3.13Å; F336-R338 PolarHBondContact O-N 3.3Å; R338-S342 PolarHBondContact O-N 3.19Å; R338-S342 VanDerWaalsContact O-N 3.1Å; R338-S342 PolarHBondContact O-OG 3.22Å; R338-Y365 HydrophobicContact CB-CD1 4.31Å; R338-Y365 HydrophobicContact CG-CD1 3.44Å; R338-Y365 VanDerWaalsContact CG-CD1 3.44Å; R338-Y365 HydrophobicContact CG-CE1 3.68Å; R338-Y365 HydrophobicContact CG-CG 3.89Å
339H96.3Very high93.6Very high101 Ų10164 Ų6447%0.46833%0.332SS..Hα-helixtrans-65.4-49.3177.5-176.991.6000111.8T335 F336 I337 L341 S342 H343T335-H339 PolarHBondContact O-N 3.03Å; T335-H339 VanDerWaalsContact O-N 3.08Å; F336-H339 WeakPolarHBondContact O-CB 3.02Å; F336-H339 PolarHBondContact O-N 2.78Å; I337-H339 VanDerWaalsContact C-N 3.29Å; I337-H339 PolarHBondContact O-N 3.49Å; H339-L341 VanDerWaalsContact C-N 3.34Å; H339-L341 PolarHBondContact O-N 3.23Å; H339-S342 PolarHBondContact O-N 2.6Å; H339-S342 PolarHBondContact O-OG 3.33Å; H339-H343 AromaticContact CD2-CE1 3.96Å; H339-H343 AromaticContact CD2-ND1 3.68Å; H339-H343 AromaticContact CE1-CE1 3.15Å; H339-H343 PolarHBondContact CE1-CE1 3.34Å; H339-H343 AromaticContact CE1-ND1 3.67Å; H339-H343 AromaticContact CE1-NE2 3.92Å; H339-H343 AromaticContact CG-CE1 3.98Å; H339-H343 AromaticContact CG-ND1 3.87Å; H339-H343 AromaticContact ND1-CE1 3.49Å; H339-H343 PolarHBondContact ND1-CE1 3.09Å; H339-H343 AromaticContact ND1-ND1 3.85Å; H339-H343 AromaticContact NE2-CE1 3.45Å; H339-H343 PolarHBondContact NE2-CE1 3.02Å; H339-H343 AromaticContact NE2-ND1 3.56Å; H339-H343 PolarHBondContact O-N 3.4Å; H339-H343 PolarHBondContact O-ND1 3.45Å
340A96.6Very high94.4Very high1 Ų160.2 Ų60.21%0.00832%0.316CS..Hα-helixtrans-58.5-45.9177.800000111.5F336 I337 S342 H343 G344 E345 V347F336-A340 WeakPolarHBondContact O-CB 3.46Å; F336-A340 PolarHBondContact O-N 2.72Å; I337-A340 PolarHBondContact O-N 2.81Å; A340-S342 PolarHBondContact O-N 2.91Å; A340-H343 PolarHBondContact O-N 3.49Å; A340-G344 PolarHBondContact O-N 3.2Å; A340-E345 HydrophobicContact CB-CB 4.02Å; A340-E345 WeakPolarHBondContact O-CB 3.47Å; A340-E345 PolarHBondContact O-N 2.98Å; A340-V347 HydrophobicContact CB-CG1 3.5Å; A340-V347 VanDerWaalsContact CB-CG1 3.5Å
341L96.6Very high95.3Very high1 Ų158 Ų581%0.00530%0.303CS..Hα-helixtrans-58.7-44.3176.7-73.6170.3000112.6I337 H339 H343 G344 V347 I359 Y360 Y365 A367I337-L341 HydrophobicContact CG2-CD1 3.74Å; I337-L341 HydrophobicContact CG2-CG 4.3Å; I337-L341 WeakPolarHBondContact O-CB 3.28Å; I337-L341 VanDerWaalsContact O-CG 3.24Å; I337-L341 WeakPolarHBondContact O-CG 3.46Å; I337-L341 PolarHBondContact O-N 3.22Å; H339-L341 VanDerWaalsContact C-N 3.34Å; H339-L341 PolarHBondContact O-N 3.23Å; L341-H343 VanDerWaalsContact C-N 3.25Å; L341-H343 PolarHBondContact O-N 3.05Å; L341-G344 PolarHBondContact O-N 3.11Å; L341-G344 VanDerWaalsContact O-N 3.16Å; L341-V347 HydrophobicContact CD2-CG1 4.4Å; L341-V347 HydrophobicContact CD2-CG2 3.58Å; L341-V347 HydrophobicContact CG-CG1 4.22Å; L341-V347 HydrophobicContact CG-CG2 4.05Å; L341-I359 HydrophobicContact CD1-CD1 4.45Å; L341-I359 HydrophobicContact CD1-CG2 3.76Å; L341-I359 HydrophobicContact CD2-CG2 4.05Å; L341-Y360 HydrophobicContact CD2-CE1 4.3Å; L341-Y365 HydrophobicContact CD1-CD2 3.78Å; L341-Y365 HydrophobicContact CD1-CG 4.31Å; L341-A367 HydrophobicContact CB-CB 4.27Å; L341-A367 HydrophobicContact CD2-CB 3.9Å
342S94.9Very high95.8Very high53 Ų5354.2 Ų54.237%0.37128%0.277SS..Hα-helixtrans-68-25.2-179.5680000113.4R338 H339 A340R338-S342 PolarHBondContact O-N 3.19Å; R338-S342 VanDerWaalsContact O-N 3.1Å; R338-S342 PolarHBondContact O-OG 3.22Å; H339-S342 PolarHBondContact O-N 2.6Å; H339-S342 PolarHBondContact O-OG 3.33Å; A340-S342 PolarHBondContact O-N 2.91Å
343H94.2Very high95.9Very high117 Ų11756.4 Ų56.454%0.54229%0.289SS..THydrogen-bonded Turntrans-90.70.2176.4-66.883.6000113.1H339 A340 L341 E345H339-H343 AromaticContact CD2-CE1 3.96Å; H339-H343 AromaticContact CD2-ND1 3.68Å; H339-H343 AromaticContact CE1-CE1 3.15Å; H339-H343 PolarHBondContact CE1-CE1 3.34Å; H339-H343 AromaticContact CE1-ND1 3.67Å; H339-H343 AromaticContact CE1-NE2 3.92Å; H339-H343 AromaticContact CG-CE1 3.98Å; H339-H343 AromaticContact CG-ND1 3.87Å; H339-H343 AromaticContact ND1-CE1 3.49Å; H339-H343 PolarHBondContact ND1-CE1 3.09Å; H339-H343 AromaticContact ND1-ND1 3.85Å; H339-H343 AromaticContact NE2-CE1 3.45Å; H339-H343 PolarHBondContact NE2-CE1 3.02Å; H339-H343 AromaticContact NE2-ND1 3.56Å; H339-H343 PolarHBondContact O-N 3.4Å; H339-H343 PolarHBondContact O-ND1 3.45Å; A340-H343 PolarHBondContact O-N 3.49Å; L341-H343 VanDerWaalsContact C-N 3.25Å; L341-H343 PolarHBondContact O-N 3.05Å; H343-E345 VanDerWaalsContact C-N 3.25Å; H343-E345 HydrophobicContact CB-CG 4.18Å; H343-E345 PolarHBondContact O-N 3.4Å
344G93.6Very high96Very high27 Ų2760.2 Ų60.228%0.27830%0.297SS..THydrogen-bonded Turntrans72.918.9-178.500000113.6A340 L341A340-G344 PolarHBondContact O-N 3.2Å; L341-G344 PolarHBondContact O-N 3.11Å; L341-G344 VanDerWaalsContact O-N 3.16Å
345E94.6Very high96Very high99 Ų9959.4 Ų59.446%0.46329%0.292SS..  trans-76.7152.5173.2-60.4179.5163.400110.3A340 H343A340-E345 HydrophobicContact CB-CB 4.02Å; A340-E345 WeakPolarHBondContact O-CB 3.47Å; A340-E345 PolarHBondContact O-N 2.98Å; H343-E345 VanDerWaalsContact C-N 3.25Å; H343-E345 HydrophobicContact CB-CG 4.18Å; H343-E345 PolarHBondContact O-N 3.4Å
346S95.1Very high96.1Very high89 Ų8955.7 Ų55.762%0.62227%0.268SS*.  trans-75.7132176.6-1770000110.3R348S346-R348 WeakPolarHBondContact OG-CB 3.32Å; S346-R348 PolarHBondContact OG-N 3.21Å
347V96.2Very high96.1Very high0 Ų056.3 Ų56.30%027%0.273CS..  trans-114.516.2168.7-58.30000112.1I337 A340 L341 Y349 L350 V351 L356I337-V347 HydrophobicContact CD1-CB 4.01Å; I337-V347 HydrophobicContact CD1-CG1 4.01Å; I337-V347 HydrophobicContact CG2-CG1 4.46Å; A340-V347 HydrophobicContact CB-CG1 3.5Å; A340-V347 VanDerWaalsContact CB-CG1 3.5Å; L341-V347 HydrophobicContact CD2-CG1 4.4Å; L341-V347 HydrophobicContact CD2-CG2 3.58Å; L341-V347 HydrophobicContact CG-CG1 4.22Å; L341-V347 HydrophobicContact CG-CG2 4.05Å; V347-Y349 PolarHBondContact O-N 3.38Å; V347-L350 HydrophobicContact CB-CD1 4.44Å; V347-L350 WeakPolarHBondContact O-CB 3.45Å; V347-L350 PolarHBondContact O-N 3.35Å; V347-V351 HydrophobicContact CG2-CG2 4.41Å; V347-L356 HydrophobicContact CG2-CD1 3.48Å; V347-L356 VanDerWaalsContact CG2-CD1 3.48Å
348R95.6Very high96Very high93 Ų9359.1 Ų59.135%0.35128%0.284SS..BIsolated β-bridgetrans-53.7137.8173.4-174.869178.8-176.94.6109.1S346 L350 D353 L356S346-R348 WeakPolarHBondContact OG-CB 3.32Å; S346-R348 PolarHBondContact OG-N 3.21Å; R348-L350 PolarHBondContact O-N 3.44Å; R348-D353 IonicContact CZ-OD1 3.62Å; R348-D353 IonicContact CZ-OD2 3.53Å; R348-D353 IonicContact NE-OD1 2.74Å; R348-D353 IonicContact NH1-OD1 3.51Å; R348-D353 PolarHBondContact NH1-OD1 2.92Å; R348-D353 IonicContact NH1-OD2 3.84Å; R348-D353 PolarHBondContact NH1-OD2 3.12Å; R348-D353 IonicContact NH2-OD1 2.85Å; R348-D353 PolarHBondContact NH2-OD1 3.12Å; R348-D353 IonicContact NH2-OD2 3.89Å; R348-D353 PolarHBondContact NH2-OD2 3.3Å; R348-L356 HydrophobicContact CB-CD2 4.29Å
349Y95.8Very high96Very high181 Ų18156.6 Ų56.671%0.7127%0.274SS*.THydrogen-bonded Turntrans71-4.7-175.1-39.7-65.2000116.1V347V347-Y349 PolarHBondContact O-N 3.38Å
350L96.9Very high96Very high57 Ų5754.4 Ų54.430%0.29826%0.262SS..THydrogen-bonded Turntrans-98-18.4173-51.2-178.3000112.4V24 L332 F336 I337 V347 R348V24-L350 PolarHBondContact N-O 3.08Å; L332-L350 HydrophobicContact CD1-CB 4.24Å; L332-L350 HydrophobicContact CD1-CD1 4.16Å; L332-L350 HydrophobicContact CD1-CD2 4.49Å; L332-L350 HydrophobicContact CD2-CB 3.95Å; L332-L350 HydrophobicContact CD2-CD2 4.46Å; L332-L350 WeakPolarHBondContact CD2-O 3.34Å; F336-L350 HydrophobicContact CE1-CD1 3.83Å; I337-L350 HydrophobicContact CD1-CB 3.62Å; I337-L350 HydrophobicContact CD1-CD1 4.03Å; V347-L350 HydrophobicContact CB-CD1 4.44Å; V347-L350 WeakPolarHBondContact O-CB 3.45Å; V347-L350 PolarHBondContact O-N 3.35Å; R348-L350 PolarHBondContact O-N 3.44Å
351V97Very high96Very high1 Ų159.5 Ų59.51%0.00629%0.293CS..BIsolated β-bridgetrans-131.1139.1178.4179.70000107.8I337 V347 T355 L356 I359I337-V351 HydrophobicContact CD1-CG2 3.87Å; I337-V351 HydrophobicContact CG1-CG2 4.13Å; I337-V351 HydrophobicContact CG2-CG2 3.84Å; V347-V351 HydrophobicContact CG2-CG2 4.41Å; V351-T355 HydrophobicContact CG1-CG2 3.5Å; V351-L356 HydrophobicContact CB-CB 4.46Å; V351-L356 HydrophobicContact CG1-CB 4.31Å; V351-I359 HydrophobicContact CG1-CD1 4.28Å
352P97.3Very high96Very high11 Ų1164 Ų647%0.07131%0.314CS..  trans-53.3145.2176.3-2937.8000112.7A107 R354 T355 L356A107-P352 HydrophobicContact CB-CB 4.13Å; A107-P352 HydrophobicContact CB-CG 3.76Å; P352-R354 PolarHBondContact O-N 2.93Å; P352-T355 WeakPolarHBondContact O-CB 3.32Å; P352-T355 PolarHBondContact O-N 3.32Å; P352-T355 VanDerWaalsContact O-N 3.12Å; P352-L356 WeakPolarHBondContact O-CB 3.5Å; P352-L356 PolarHBondContact O-N 3.18Å
353D96Very high96Very high62 Ų6269.2 Ų69.233%0.33233%0.33SS..Hα-helixtrans-60.1-46.8-167.2-81.6-4.7000113.2R348 T355 L356 E357R348-D353 IonicContact CZ-OD1 3.62Å; R348-D353 IonicContact CZ-OD2 3.53Å; R348-D353 IonicContact NE-OD1 2.74Å; R348-D353 IonicContact NH1-OD1 3.51Å; R348-D353 PolarHBondContact NH1-OD1 2.92Å; R348-D353 IonicContact NH1-OD2 3.84Å; R348-D353 PolarHBondContact NH1-OD2 3.12Å; R348-D353 IonicContact NH2-OD1 2.85Å; R348-D353 PolarHBondContact NH2-OD1 3.12Å; R348-D353 IonicContact NH2-OD2 3.89Å; R348-D353 PolarHBondContact NH2-OD2 3.3Å; D353-T355 VanDerWaalsContact C-N 3.34Å; D353-T355 PolarHBondContact O-N 3.16Å; D353-L356 WeakPolarHBondContact O-CB 3.43Å; D353-L356 PolarHBondContact O-N 3.13Å; D353-L356 VanDerWaalsContact O-N 3.15Å; D353-E357 WeakPolarHBondContact O-CG 3.21Å; D353-E357 PolarHBondContact O-N 3.41Å
354R96.2Very high96.1Very high119 Ų11964.4 Ų64.445%0.44931%0.309SS..Hα-helixtrans-64.1-38.1177.3-70.8-165.2178.7175.30.2112.6L106 I109 P352 L356 Y358L106-R354 HydrophobicContact CB-CB 4.06Å; L106-R354 HydrophobicContact CD2-CB 4.37Å; I109-R354 VanDerWaalsContact CG2-NH1 3.32Å; P352-R354 PolarHBondContact O-N 2.93Å; R354-L356 VanDerWaalsContact C-N 3.35Å; R354-Y358 WeakPolarHBondContact O-CB 3.29Å; R354-Y358 PolarHBondContact O-N 3.48Å
355T97.1Very high96.2Very high0 Ų064.7 Ų64.70%030%0.301CS..Hα-helixtrans-63.1-42.8173.7-55.60000110.8I22 L103 A107 V351 P352 D353 Y358 I359I22-T355 HydrophobicContact CG2-CG2 3.84Å; L103-T355 HydrophobicContact CB-CG2 3.95Å; L103-T355 HydrophobicContact CD2-CG2 3.8Å; L103-T355 HydrophobicContact CG-CG2 4.38Å; L103-T355 PolarHBondContact O-OG1 3.18Å; A107-T355 WeakPolarHBondContact CA-OG1 3.33Å; A107-T355 WeakPolarHBondContact CB-OG1 3.18Å; A107-T355 PolarHBondContact N-OG1 3.03Å; V351-T355 HydrophobicContact CG1-CG2 3.5Å; P352-T355 WeakPolarHBondContact O-CB 3.32Å; P352-T355 PolarHBondContact O-N 3.32Å; P352-T355 VanDerWaalsContact O-N 3.12Å; D353-T355 VanDerWaalsContact C-N 3.34Å; D353-T355 PolarHBondContact O-N 3.16Å; T355-Y358 PolarHBondContact O-N 2.76Å; T355-I359 HydrophobicContact CG2-CD1 4.22Å; T355-I359 VanDerWaalsContact O-CG1 3.31Å; T355-I359 WeakPolarHBondContact O-CG1 2.83Å; T355-I359 PolarHBondContact O-N 2.89Å
356L97Very high96.1Very high6 Ų662 Ų623%0.03130%0.301CS..Hα-helixtrans-67.5-42179.2-17757.1000112.3V347 R348 V351 P352 D353 R354 Y358 I359 Y360V347-L356 HydrophobicContact CG2-CD1 3.48Å; V347-L356 VanDerWaalsContact CG2-CD1 3.48Å; R348-L356 HydrophobicContact CB-CD2 4.29Å; V351-L356 HydrophobicContact CB-CB 4.46Å; V351-L356 HydrophobicContact CG1-CB 4.31Å; P352-L356 WeakPolarHBondContact O-CB 3.5Å; P352-L356 PolarHBondContact O-N 3.18Å; D353-L356 WeakPolarHBondContact O-CB 3.43Å; D353-L356 PolarHBondContact O-N 3.13Å; D353-L356 VanDerWaalsContact O-N 3.15Å; R354-L356 VanDerWaalsContact C-N 3.35Å; L356-Y358 VanDerWaalsContact C-N 3.33Å; L356-Y358 PolarHBondContact O-N 3.41Å; L356-I359 PolarHBondContact O-N 3.25Å; L356-Y360 HydrophobicContact CD1-CD2 3.84Å; L356-Y360 HydrophobicContact CD1-CE2 3.38Å; L356-Y360 HydrophobicContact CD2-CE2 4.21Å; L356-Y360 HydrophobicContact CG-CD2 3.94Å; L356-Y360 HydrophobicContact CG-CE2 3.67Å; L356-Y360 WeakPolarHBondContact O-CD2 3.38Å; L356-Y360 PolarHBondContact O-N 3.1Å
357E96Very high96.1Very high113 Ų11358.1 Ų58.153%0.52827%0.274SS..Hα-helixtrans-57.1-47.2172.6-75.1168.6-171.300110.9D353 I359 Y360 T361D353-E357 WeakPolarHBondContact O-CG 3.21Å; D353-E357 PolarHBondContact O-N 3.41Å; E357-I359 VanDerWaalsContact C-N 3.35Å; E357-I359 PolarHBondContact O-N 3.36Å; E357-Y360 PolarHBondContact O-N 3.42Å; E357-T361 WeakPolarHBondContact O-CB 3.46Å; E357-T361 PolarHBondContact O-N 2.97Å; E357-T361 PolarHBondContact O-OG1 3.2Å
358Y96.6Very high95.5Very high58 Ų5865.1 Ų65.123%0.22730%0.304CS..Hα-helixtrans-60.7-42.9177.3-165.9-79.2000112.2I99 E102 L103 L106 R354 T355 L356 Y360 T361 H362 L364I99-Y358 HydrophobicContact CG2-CE1 4.43Å; E102-Y358 HydrophobicContact CG-CD2 4.24Å; E102-Y358 HydrophobicContact CG-CE2 3.67Å; L103-Y358 HydrophobicContact CD2-CD1 3.6Å; L103-Y358 HydrophobicContact CD2-CE1 4.44Å; L103-Y358 HydrophobicContact CD2-CG 4.08Å; L103-Y358 HydrophobicContact CG-CD1 4.48Å; L106-Y358 HydrophobicContact CD1-CD2 3.53Å; L106-Y358 HydrophobicContact CD1-CE2 4.39Å; L106-Y358 HydrophobicContact CD1-CG 3.81Å; R354-Y358 WeakPolarHBondContact O-CB 3.29Å; R354-Y358 PolarHBondContact O-N 3.48Å; T355-Y358 PolarHBondContact O-N 2.76Å; L356-Y358 VanDerWaalsContact C-N 3.33Å; L356-Y358 PolarHBondContact O-N 3.41Å; Y358-Y360 PolarHBondContact O-N 3.4Å; Y358-T361 PolarHBondContact O-N 3.17Å; Y358-H362 AromaticContact CD1-ND1 3.43Å; Y358-H362 WeakPolarHBondContact CD1-ND1 3.4Å; Y358-H362 AromaticContact CD2-CE1 3.67Å; Y358-H362 AromaticContact CD2-ND1 3.84Å; Y358-H362 HydrophobicContact CE1-CB 4.37Å; Y358-H362 AromaticContact CE1-CE1 3.72Å; Y358-H362 AromaticContact CE1-CG 3.81Å; Y358-H362 AromaticContact CE1-ND1 3.37Å; Y358-H362 WeakPolarHBondContact CE1-ND1 3.49Å; Y358-H362 AromaticContact CE2-CE1 3.35Å; Y358-H362 WeakPolarHBondContact CE2-CE1 3.43Å; Y358-H362 AromaticContact CE2-ND1 3.79Å; Y358-H362 AromaticContact CG-ND1 3.68Å; Y358-H362 AromaticContact CZ-CE1 3.37Å; Y358-H362 AromaticContact CZ-ND1 3.56Å; Y358-H362 AromaticContact CZ-NE2 3.86Å; Y358-H362 WeakPolarHBondContact O-CB 3.46Å; Y358-H362 PolarHBondContact O-N 3.41Å; Y358-H362 PolarHBondContact O-ND1 3.18Å; Y358-L364 HydrophobicContact CD1-CD1 3.99Å; Y358-L364 HydrophobicContact CE1-CD1 4.14Å
359I97.5Very high94.6Very high0 Ų068.9 Ų68.90%032%0.323CS..Hα-helixtrans-58.1-47.8177.1-74.7167000111.3P21 L103 L341 V351 T355 L356 E357 K363 L364 Y365 A367P21-I359 HydrophobicContact CB-CD1 4.02Å; P21-I359 HydrophobicContact CG-CD1 4.12Å; L103-I359 HydrophobicContact CD1-CG1 4.37Å; L103-I359 HydrophobicContact CD2-CD1 4.42Å; L103-I359 HydrophobicContact CD2-CG1 3.81Å; L341-I359 HydrophobicContact CD1-CD1 4.45Å; L341-I359 HydrophobicContact CD1-CG2 3.76Å; L341-I359 HydrophobicContact CD2-CG2 4.05Å; V351-I359 HydrophobicContact CG1-CD1 4.28Å; T355-I359 HydrophobicContact CG2-CD1 4.22Å; T355-I359 VanDerWaalsContact O-CG1 3.31Å; T355-I359 WeakPolarHBondContact O-CG1 2.83Å; T355-I359 PolarHBondContact O-N 2.89Å; L356-I359 PolarHBondContact O-N 3.25Å; E357-I359 VanDerWaalsContact C-N 3.35Å; E357-I359 PolarHBondContact O-N 3.36Å; I359-K363 WeakPolarHBondContact O-CA 3.49Å; I359-K363 PolarHBondContact O-N 3.39Å; I359-L364 HydrophobicContact CG1-CB 4.49Å; I359-L364 HydrophobicContact CG1-CD1 4.24Å; I359-L364 HydrophobicContact CG2-CB 4.3Å; I359-L364 PolarHBondContact O-N 2.89Å; I359-Y365 HydrophobicContact CD1-CE2 4.28Å; I359-Y365 HydrophobicContact CG1-CE2 4.32Å; I359-Y365 HydrophobicContact CG2-CD2 4.37Å; I359-A367 HydrophobicContact CG2-CB 3.92Å
360Y96.3Very high93.3Very high55 Ų5570.1 Ų70.122%0.21633%0.326CS..Hα-helixtrans-69.8-42.9-180-77.3-59000112.4L341 L356 E357 Y358 H362 K363 A367 K369L341-Y360 HydrophobicContact CD2-CE1 4.3Å; L356-Y360 HydrophobicContact CD1-CD2 3.84Å; L356-Y360 HydrophobicContact CD1-CE2 3.38Å; L356-Y360 HydrophobicContact CD2-CE2 4.21Å; L356-Y360 HydrophobicContact CG-CD2 3.94Å; L356-Y360 HydrophobicContact CG-CE2 3.67Å; L356-Y360 WeakPolarHBondContact O-CD2 3.38Å; L356-Y360 PolarHBondContact O-N 3.1Å; E357-Y360 PolarHBondContact O-N 3.42Å; Y358-Y360 PolarHBondContact O-N 3.4Å; Y360-H362 VanDerWaalsContact C-N 3.28Å; Y360-H362 PolarHBondContact O-N 3.1Å; Y360-K363 PolarHBondContact O-N 3.37Å; Y360-A367 HydrophobicContact CD1-CB 3.93Å; Y360-A367 HydrophobicContact CE1-CB 4.07Å; Y360-K369 HydrophobicContact CD1-CB 4.14Å; Y360-K369 HydrophobicContact CE1-CB 4.42Å
361T95.5Very high91.6Very high108 Ų10870.5 Ų70.566%0.66333%0.334SS*.Hα-helixtrans-58.6-41.6178.9-64.90000111.5E357 Y358E357-T361 WeakPolarHBondContact O-CB 3.46Å; E357-T361 PolarHBondContact O-N 2.97Å; E357-T361 PolarHBondContact O-OG1 3.2Å; Y358-T361 PolarHBondContact O-N 3.17Å
362H95.7Very high89.8Confident96 Ų9675.6 Ų75.644%0.44437%0.365SS..THydrogen-bonded Turntrans-96.26.9-178.6-60.687.5000113.8Y358 Y360 L364Y358-H362 AromaticContact CD1-ND1 3.43Å; Y358-H362 WeakPolarHBondContact CD1-ND1 3.4Å; Y358-H362 AromaticContact CD2-CE1 3.67Å; Y358-H362 AromaticContact CD2-ND1 3.84Å; Y358-H362 HydrophobicContact CE1-CB 4.37Å; Y358-H362 AromaticContact CE1-CE1 3.72Å; Y358-H362 AromaticContact CE1-CG 3.81Å; Y358-H362 AromaticContact CE1-ND1 3.37Å; Y358-H362 WeakPolarHBondContact CE1-ND1 3.49Å; Y358-H362 AromaticContact CE2-CE1 3.35Å; Y358-H362 WeakPolarHBondContact CE2-CE1 3.43Å; Y358-H362 AromaticContact CE2-ND1 3.79Å; Y358-H362 AromaticContact CG-ND1 3.68Å; Y358-H362 AromaticContact CZ-CE1 3.37Å; Y358-H362 AromaticContact CZ-ND1 3.56Å; Y358-H362 AromaticContact CZ-NE2 3.86Å; Y358-H362 WeakPolarHBondContact O-CB 3.46Å; Y358-H362 PolarHBondContact O-N 3.41Å; Y358-H362 PolarHBondContact O-ND1 3.18Å; Y360-H362 VanDerWaalsContact C-N 3.28Å; Y360-H362 PolarHBondContact O-N 3.1Å; H362-L364 HydrophobicContact CB-CD1 4.5Å; H362-L364 HydrophobicContact CB-CD2 3.88Å; H362-L364 HydrophobicContact CB-CG 3.88Å; H362-L364 PolarHBondContact O-N 3.48Å; H362-L364 VanDerWaalsContact O-N 3.13Å
363K95.4Very high87.5Confident161 Ų16181.1 Ų81.170%0.739%0.394SS*.THydrogen-bonded Turntrans50.336-179.3-57178-176.5174.10113.2I359 Y360 G366I359-K363 WeakPolarHBondContact O-CA 3.49Å; I359-K363 PolarHBondContact O-N 3.39Å; Y360-K363 PolarHBondContact O-N 3.37Å; K363-G366 PolarHBondContact O-N 3.03Å
364L96.2Very high85.2Confident17 Ų1784.9 Ų84.99%0.08941%0.409CS..G310 helixtrans-65.4149.5-178.5-56.7-177.8000110.3L95 I99 L103 Y358 I359 H362 G366 A367L95-L364 HydrophobicContact CD1-CB 4.19Å; L95-L364 HydrophobicContact CD1-CD1 4.11Å; L95-L364 HydrophobicContact CD1-CD2 4.29Å; L95-L364 HydrophobicContact CD1-CG 4.43Å; I99-L364 HydrophobicContact CD1-CD2 4.17Å; I99-L364 HydrophobicContact CG2-CD1 3.53Å; I99-L364 HydrophobicContact CG2-CD2 4.34Å; L103-L364 HydrophobicContact CD1-CD1 4.06Å; L103-L364 HydrophobicContact CD2-CD1 4.22Å; L103-L364 HydrophobicContact CG-CD1 4.48Å; Y358-L364 HydrophobicContact CD1-CD1 3.99Å; Y358-L364 HydrophobicContact CE1-CD1 4.14Å; I359-L364 HydrophobicContact CG1-CB 4.49Å; I359-L364 HydrophobicContact CG1-CD1 4.24Å; I359-L364 HydrophobicContact CG2-CB 4.3Å; I359-L364 PolarHBondContact O-N 2.89Å; H362-L364 HydrophobicContact CB-CD1 4.5Å; H362-L364 HydrophobicContact CB-CD2 3.88Å; H362-L364 HydrophobicContact CB-CG 3.88Å; H362-L364 PolarHBondContact O-N 3.48Å; H362-L364 VanDerWaalsContact O-N 3.13Å; L364-G366 PolarHBondContact O-N 3.43Å; L364-A367 WeakPolarHBondContact O-CB 3.28Å; L364-A367 PolarHBondContact O-N 3.08Å
365Y96.3Very high83Confident33 Ų3385.1 Ų85.113%0.12942%0.418CS..G310 helixtrans5819.1180-47.3-68.4000114.9N20 P21 L95 L103 R338 L341 I359 A367N20-Y365 WeakPolarHBondContact CA-OH 3.47Å; N20-Y365 WeakPolarHBondContact OD1-CE1 3.34Å; N20-Y365 PolarHBondContact OD1-OH 3.42Å; P21-Y365 WeakPolarHBondContact CA-OH 3.49Å; P21-Y365 HydrophobicContact CB-CE2 3.85Å; P21-Y365 HydrophobicContact CG-CE2 3.89Å; P21-Y365 VanDerWaalsContact N-OH 3.15Å; L95-Y365 HydrophobicContact CD1-CD1 4.15Å; L95-Y365 HydrophobicContact CD1-CD2 4.49Å; L95-Y365 HydrophobicContact CD1-CE1 3.44Å; L95-Y365 VanDerWaalsContact CD1-CE1 3.44Å; L95-Y365 HydrophobicContact CD1-CE2 3.82Å; L95-Y365 VanDerWaalsContact CD1-OH 3.28Å; L95-Y365 WeakPolarHBondContact CD1-OH 3.16Å; L95-Y365 HydrophobicContact CD2-CE1 4.3Å; L95-Y365 HydrophobicContact CG-CD1 4.29Å; L95-Y365 HydrophobicContact CG-CE1 3.54Å; L103-Y365 HydrophobicContact CD1-CE2 4.41Å; R338-Y365 HydrophobicContact CB-CD1 4.31Å; R338-Y365 HydrophobicContact CG-CD1 3.44Å; R338-Y365 VanDerWaalsContact CG-CD1 3.44Å; R338-Y365 HydrophobicContact CG-CE1 3.68Å; R338-Y365 HydrophobicContact CG-CG 3.89Å; L341-Y365 HydrophobicContact CD1-CD2 3.78Å; L341-Y365 HydrophobicContact CD1-CG 4.31Å; I359-Y365 HydrophobicContact CD1-CE2 4.28Å; I359-Y365 HydrophobicContact CG1-CE2 4.32Å; I359-Y365 HydrophobicContact CG2-CD2 4.37Å; Y365-A367 VanDerWaalsContact C-N 3.28Å
366G93.4Very high80.6Confident43 Ų4391.7 Ų91.744%0.44345%0.449SS..G310 helixtrans73.618.4-174.600000113.7K363 L364 K368K363-G366 PolarHBondContact O-N 3.03Å; L364-G366 PolarHBondContact O-N 3.43Å; G366-K368 PolarHBondContact O-N 2.87Å
367A93.4Very high78.3Confident7 Ų794.8 Ų94.86%0.05847%0.471CS..  trans-55.7125.4-178.100000112.2L341 I359 Y360 L364 Y365L341-A367 HydrophobicContact CB-CB 4.27Å; L341-A367 HydrophobicContact CD2-CB 3.9Å; I359-A367 HydrophobicContact CG2-CB 3.92Å; Y360-A367 HydrophobicContact CD1-CB 3.93Å; Y360-A367 HydrophobicContact CE1-CB 4.07Å; L364-A367 WeakPolarHBondContact O-CB 3.28Å; L364-A367 PolarHBondContact O-N 3.08Å; Y365-A367 VanDerWaalsContact C-N 3.28Å
368K84.7Confident76.1Confident147 Ų14797.9 Ų97.964%0.63948%0.483SS*.  trans-113.9118.4172.9-62.1176-171.8172.70108.4G366 R370G366-K368 PolarHBondContact O-N 2.87Å; K368-R370 PolarHBondContact O-N 2.69Å
369K77.3Confident74Confident171 Ų171100.6 Ų100.674%0.74351%0.506SS*.  trans-70.2126.5171.4-165.8171.6-175175.80107.8Y360 S371Y360-K369 HydrophobicContact CD1-CB 4.14Å; Y360-K369 HydrophobicContact CE1-CB 4.42Å; K369-S371 PolarHBondContact O-N 3.25Å; K369-S371 VanDerWaalsContact O-N 3.13Å
370R68.1Low71.9Confident208 Ų208109.6 Ų109.679%0.78555%0.545SS*.  trans-60.9118.2175.1-159.7172.1179.7175.1-0.6107.8K368 V372K368-R370 PolarHBondContact O-N 2.69Å; R370-V372 PolarHBondContact O-N 3.34Å; R370-V372 VanDerWaalsContact O-N 3.14Å
371S60.7Low69.9Low65 Ų65113.8 Ų113.846%0.45557%0.569SS.*  trans-66.9111.9174.945.10000108.2K369 N373K369-S371 PolarHBondContact O-N 3.25Å; K369-S371 VanDerWaalsContact O-N 3.13Å; S371-N373 PolarHBondContact O-N 3.2Å
372V59.3Low67.5Low108 Ų108117.2 Ų117.266%0.65558%0.578SS**G310 helixtrans-62-22.4176.4-179.50000110.7R370 Q374 L375R370-V372 PolarHBondContact O-N 3.34Å; R370-V372 VanDerWaalsContact O-N 3.14Å; V372-Q374 PolarHBondContact O-N 3.39Å; V372-Q374 VanDerWaalsContact O-N 3.08Å; V372-L375 PolarHBondContact O-N 3.12Å
373N49.1Very low65.7Low127 Ų127122.8 Ų122.868%0.67962%0.619SS**G310 helixtrans-74.33-173.8-60.24000115.7S371S371-N373 PolarHBondContact O-N 3.2Å
374Q47.3Very low64.2Low141 Ų141120.9 Ų120.966%0.65962%0.615SS**G310 helixtrans-92.6-11.4174.9-73.3-169.8-3.600114.4V372 S377V372-Q374 PolarHBondContact O-N 3.39Å; V372-Q374 VanDerWaalsContact O-N 3.08Å; Q374-S377 PolarHBondContact O-OG 3.15Å
375L49.1Very low62.5Low123 Ų123126.4 Ų126.464%0.64464%0.642SS**THydrogen-bonded Turntrans-88.5-32.3174.6-84.8121.4000112.7V372 S377 K378 T379V372-L375 PolarHBondContact O-N 3.12Å; L375-S377 VanDerWaalsContact C-N 3.31Å; L375-S377 PolarHBondContact O-N 3.45Å; L375-K378 PolarHBondContact O-N 3.42Å; L375-T379 PolarHBondContact O-OG1 3.49Å
376E47.1Very low60.7Low138 Ų138131.6 Ų131.665%0.64567%0.671SS**THydrogen-bonded Turntrans-72.1-21.7179.9-67.1-171.3165.200113.9K378E376-K378 VanDerWaalsContact C-N 3.34Å
377S48.4Very low58.7Low71 Ų71136.8 Ų136.850%0.49768%0.684SS.*THydrogen-bonded Turntrans-78.3-16.517755.40000113.7Q374 L375Q374-S377 PolarHBondContact O-OG 3.15Å; L375-S377 VanDerWaalsContact C-N 3.31Å; L375-S377 PolarHBondContact O-N 3.45Å
378K50.9Low56.6Low179 Ų179144.9 Ų144.978%0.77872%0.723SS**THydrogen-bonded Turntrans-87.8-19.8177.3-78-171.8172.9-173.80113.7L375 E376L375-K378 PolarHBondContact O-N 3.42Å; E376-K378 VanDerWaalsContact C-N 3.34Å
379T51.3Low54.7Low114 Ų114144.7 Ų144.770%0.69973%0.729SS**THydrogen-bonded Turntrans-91-4-177.5-19.30000113.7L375L375-T379 PolarHBondContact O-OG1 3.49Å
380K54.8Low53.1Low189 Ų189142.9 Ų142.982%0.82273%0.728SS**THydrogen-bonded Turntrans-103.210.6-177.9-81-175.3175.2177.10115.2
381I53.8Low51.9Low143 Ų143137.8 Ų137.873%0.73372%0.723SS**SBendtrans-108.4-2.2-178.1-59.8178.2000112.8
382E46.2Very low51.2Low180 Ų180143.9 Ų143.984%0.84175%0.746SS**  trans-124.772.9177.7-68.8-178.9172.300111.3
383V57.1Low50.5Low214 Ų214147.2 Ų147.2100%1.29775%0.754SS**  trans-1450155.1-177.90000108.9

Retrieved 383 of 383 residues in 196.5 ms (Link to these results)

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