A0A093HMG7_STRCA Loading...

N-acetyltaurine hydrolase

AlphaFold DB , UniProt , Accession A0A093HMG7, Species STRCA (Struthio camelus australis), Gene n/a, Length 349 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
1M46Very low86.5Confident179 Ų17949.5 Ų49.588%0.88230%0.304SS*.  0147.80-62.2-166.1-158.500107.7S3M1-S3 PolarHBondContact O-N 3.46Å
2P53.5Low87.5Confident102 Ų10252.3 Ų52.366%0.66232%0.315SS*.  trans-52.6134.1165-1.69.4000107.8L4 L14P2-L4 PolarHBondContact O-N 3.26Å; P2-L14 HydrophobicContact CB-CD1 4.03Å; P2-L14 HydrophobicContact CG-CD1 4.42Å
3S79Confident88.3Confident94 Ų9450.2 Ų50.266%0.65731%0.311SS*.  trans-66125.7178.7640000108.4M1 G5M1-S3 PolarHBondContact O-N 3.46Å; S3-G5 PolarHBondContact O-N 2.99Å
4L88.9Confident89Confident27 Ų2751.1 Ų51.114%0.14131%0.312CS..  trans-60.7-31.4172.2-68.2173000111P2 G6 K7 L14 I153 L154 F348P2-L4 PolarHBondContact O-N 3.26Å; L4-G6 PolarHBondContact O-N 3.03Å; L4-K7 WeakPolarHBondContact O-CB 3.25Å; L4-K7 PolarHBondContact O-N 3.46Å; L4-L14 HydrophobicContact CD2-CD2 3.74Å; L4-I153 HydrophobicContact CD1-CG2 4.05Å; L4-L154 HydrophobicContact CD1-CD2 3.68Å; L4-F348 HydrophobicContact CB-CB 3.96Å; L4-F348 HydrophobicContact CB-CD1 3.71Å; L4-F348 HydrophobicContact CB-CE1 4.39Å; L4-F348 HydrophobicContact CB-CG 3.92Å; L4-F348 HydrophobicContact CD1-CD1 3.84Å; L4-F348 HydrophobicContact CD1-CE1 3.72Å; L4-F348 HydrophobicContact CG-CD1 4.32Å; L4-F348 WeakPolarHBondContact O-CB 3.44Å
5G94.2Very high89.7Confident25 Ų2548.8 Ų48.826%0.25830%0.298SS..THydrogen-bonded Turntrans-48.1129179.700000113.3S3 K7 K349S3-G5 PolarHBondContact O-N 2.99Å; G5-K7 VanDerWaalsContact C-N 3.27Å; G5-K7 PolarHBondContact O-N 2.66Å; G5-K349 WeakPolarHBondContact CA-O 3.28Å
6G96.9Very high90.2Very high36 Ų3651.2 Ų51.237%0.37131%0.305SS..THydrogen-bonded Turntrans76.72.7-178.400000115.3L4 P17 F348L4-G6 PolarHBondContact O-N 3.03Å; G6-P17 WeakPolarHBondContact O-CD 3.46Å; G6-P17 WeakPolarHBondContact O-CG 3.08Å; G6-F348 PolarHBondContact N-O 3.49Å
7K98.1Very high90.7Very high60 Ų6049.2 Ų49.226%0.26129%0.293SS..  trans-118.3169.3179.1-54.6-62.1172.3-171.80111.9L4 G5 L14 E16 F348L4-K7 WeakPolarHBondContact O-CB 3.25Å; L4-K7 PolarHBondContact O-N 3.46Å; G5-K7 VanDerWaalsContact C-N 3.27Å; G5-K7 PolarHBondContact O-N 2.66Å; K7-L14 HydrophobicContact CB-CB 4.39Å; K7-L14 HydrophobicContact CB-CD2 3.98Å; K7-E16 IonicContact NZ-OE1 3.66Å; K7-E16 PolarHBondContact NZ-OE1 2.57Å; K7-E16 IonicContact NZ-OE2 3.7Å; K7-E16 PolarHBondContact NZ-OE2 2.76Å; K7-F348 PolarHBondContact O-N 3.05Å
8V98.6Very high91.1Very high0 Ų053.4 Ų53.40%031%0.314CS..EExtended strand (participates in β ladder)trans-117.6132170.8-1760000108.7L14 V15 P17 L20 I122 L346V8-L14 WeakPolarHBondContact O-CA 3.42Å; V8-V15 HydrophobicContact CB-CG2 3.99Å; V8-V15 PolarHBondContact N-O 3.02Å; V8-V15 VanDerWaalsContact N-O 3.08Å; V8-V15 PolarHBondContact O-N 2.68Å; V8-P17 HydrophobicContact CG2-CB 4.33Å; V8-P17 HydrophobicContact CG2-CG 4.23Å; V8-L20 HydrophobicContact CB-CD2 4.2Å; V8-L20 HydrophobicContact CG1-CD2 3.94Å; V8-L20 HydrophobicContact CG2-CD1 4.13Å; V8-L20 HydrophobicContact CG2-CD2 4.33Å; V8-L20 HydrophobicContact CG2-CG 4.45Å; V8-I122 HydrophobicContact CG1-CD1 3.45Å; V8-I122 VanDerWaalsContact CG1-CD1 3.45Å; V8-I122 HydrophobicContact CG1-CG1 4.23Å; V8-L346 HydrophobicContact CG1-CB 4.09Å; V8-L346 HydrophobicContact CG2-CB 4.26Å
9Q98.6Very high91.5Very high11 Ų1156.3 Ų56.35%0.05132%0.324CS..EExtended strand (participates in β ladder)trans-92.4116.9178.6177.765.96700109.9L14 K163 C164 G165 F348Q9-L14 HydrophobicContact CB-CD2 4.02Å; Q9-K163 HydrophobicContact CG-CB 3.99Å; Q9-C164 VanDerWaalsContact CG-O 3.31Å; Q9-C164 WeakPolarHBondContact CG-O 3.35Å; Q9-G165 WeakPolarHBondContact O-CA 3.35Å; Q9-F348 HydrophobicContact CB-CE2 4.28Å
10T98.9Very high91.8Very high2 Ų253.6 Ų53.61%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-104.2170.2171.374.90000110.1L12 G13 V15 H120 I121 I122T10-L12 PolarHBondContact O-N 3.09Å; T10-L12 VanDerWaalsContact O-N 3.12Å; T10-L12 PolarHBondContact OG1-N 3.29Å; T10-L12 VanDerWaalsContact OG1-N 3.16Å; T10-G13 WeakPolarHBondContact CB-O 3.49Å; T10-G13 PolarHBondContact N-O 3.33Å; T10-G13 PolarHBondContact O-N 3Å; T10-G13 PolarHBondContact OG1-N 3.2Å; T10-G13 PolarHBondContact OG1-O 3.15Å; T10-V15 HydrophobicContact CG2-CG1 4.04Å; T10-V15 HydrophobicContact CG2-CG2 3.78Å; T10-H120 HydrophobicContact CG2-CB 4.12Å; T10-I121 CarbonylContact C-O 3.18Å; T10-I121 VanDerWaalsContact CA-O 3.32Å; T10-I121 WeakPolarHBondContact CA-O 3.28Å; T10-I121 WeakPolarHBondContact CB-O 3.27Å; T10-I122 HydrophobicContact CG2-CG1 4.26Å
11V98.8Very high92.1Very high8 Ų852.5 Ų52.55%0.04831%0.31CS..THydrogen-bonded Turntrans-63-15.5172.5-610000113.5M107 L110 A114 I121 A123 I162V11-M107 HydrophobicContact CG1-CE 4.35Å; V11-L110 HydrophobicContact CG1-CB 4.12Å; V11-A114 HydrophobicContact CG2-CB 3.68Å; V11-I121 HydrophobicContact CG1-CG2 4.22Å; V11-I121 HydrophobicContact CG2-CB 3.92Å; V11-I121 HydrophobicContact CG2-CG2 4.37Å; V11-I121 PolarHBondContact N-O 3.12Å; V11-A123 HydrophobicContact CG1-CB 3.77Å; V11-I162 HydrophobicContact CB-CG2 3.76Å; V11-I162 HydrophobicContact CG1-CG2 4.07Å
12L98.7Very high94.6Very high83 Ų8347.3 Ų47.344%0.43528%0.28SS..THydrogen-bonded Turntrans-98.8-0.5175.1-56.2-173000113.6T10 K111 A114 E115T10-L12 PolarHBondContact O-N 3.09Å; T10-L12 VanDerWaalsContact O-N 3.12Å; T10-L12 PolarHBondContact OG1-N 3.29Å; T10-L12 VanDerWaalsContact OG1-N 3.16Å; L12-K111 HydrophobicContact CD2-CG 3.75Å; L12-A114 HydrophobicContact CD1-CB 3.8Å; L12-A114 HydrophobicContact CD2-CB 4.16Å; L12-A114 HydrophobicContact CG-CB 3.83Å; L12-E115 HydrophobicContact CD1-CG 4.19Å; L12-E115 HydrophobicContact CD2-CG 3.66Å
13G98.1Very high96.8Very high25 Ų2542.5 Ų42.526%0.25825%0.249SC..EExtended strand (participates in β ladder)trans118.6-169.2-177.500000113.4T10T10-G13 WeakPolarHBondContact CB-O 3.49Å; T10-G13 PolarHBondContact N-O 3.33Å; T10-G13 PolarHBondContact O-N 3Å; T10-G13 PolarHBondContact OG1-N 3.2Å; T10-G13 PolarHBondContact OG1-O 3.15Å
14L98.2Very high97.8Very high63 Ų6338 Ų3833%0.3322%0.218SC..EExtended strand (participates in β ladder)trans-75.2139.2-178.5-63.5171.7000111.4P2 L4 K7 V8 Q9P2-L14 HydrophobicContact CB-CD1 4.03Å; P2-L14 HydrophobicContact CG-CD1 4.42Å; L4-L14 HydrophobicContact CD2-CD2 3.74Å; K7-L14 HydrophobicContact CB-CB 4.39Å; K7-L14 HydrophobicContact CB-CD2 3.98Å; V8-L14 WeakPolarHBondContact O-CA 3.42Å; Q9-L14 HydrophobicContact CB-CD2 4.02Å
15V98.4Very high98.2Very high17 Ų1736.8 Ų36.810%0.10321%0.211CC..EExtended strand (participates in β ladder)trans-128.2158.6172-59.10000110.2V8 T10 Q19 L20V8-V15 HydrophobicContact CB-CG2 3.99Å; V8-V15 PolarHBondContact N-O 3.02Å; V8-V15 VanDerWaalsContact N-O 3.08Å; V8-V15 PolarHBondContact O-N 2.68Å; T10-V15 HydrophobicContact CG2-CG1 4.04Å; T10-V15 HydrophobicContact CG2-CG2 3.78Å; V15-Q19 HydrophobicContact CB-CB 4.48Å; V15-L20 HydrophobicContact CG2-CD2 3.99Å
16E98.3Very high98.4Very high87 Ų8735.6 Ų35.641%0.40720%0.199SC..  trans-69.6143.3168.9-57.5-56.2146.400110.1K7 D18 Q19K7-E16 IonicContact NZ-OE1 3.66Å; K7-E16 PolarHBondContact NZ-OE1 2.57Å; K7-E16 IonicContact NZ-OE2 3.7Å; K7-E16 PolarHBondContact NZ-OE2 2.76Å; E16-D18 PolarHBondContact O-N 2.79Å; E16-D18 VanDerWaalsContact O-N 3.11Å; E16-Q19 HydrophobicContact CB-CG 4.09Å; E16-Q19 WeakPolarHBondContact O-CB 3.46Å; E16-Q19 PolarHBondContact O-N 3.49Å
17P98.1Very high98.5Very high17 Ų1733.9 Ų33.911%0.1118%0.181CC..G310 helixtrans-55.9-30.2177.6-25.934.3000114.2G6 V8 Q19 L20 K343 T347G6-P17 WeakPolarHBondContact O-CD 3.46Å; G6-P17 WeakPolarHBondContact O-CG 3.08Å; V8-P17 HydrophobicContact CG2-CB 4.33Å; V8-P17 HydrophobicContact CG2-CG 4.23Å; P17-Q19 PolarHBondContact O-N 3.36Å; P17-L20 WeakPolarHBondContact O-CG 3.44Å; P17-L20 PolarHBondContact O-N 3.47Å; P17-K343 HydrophobicContact CB-CD 4.27Å; P17-K343 HydrophobicContact CB-CG 3.62Å; P17-T347 WeakPolarHBondContact CB-OG1 3.49Å; P17-T347 HydrophobicContact CG-CG2 3.79Å; P17-T347 WeakPolarHBondContact CG-OG1 2.8Å
18D98.1Very high98.6Very high125 Ų12531.1 Ų31.167%0.66817%0.169SC*.G310 helixtrans-70.8-12177.7-70-31.7000113.8E16 K343E16-D18 PolarHBondContact O-N 2.79Å; E16-D18 VanDerWaalsContact O-N 3.11Å; D18-K343 WeakPolarHBondContact OD1-CE 3.24Å; D18-K343 IonicContact OD1-NZ 3.14Å; D18-K343 PolarHBondContact OD1-NZ 2.61Å
19Q98.4Very high98.6Very high108 Ų10831.1 Ų31.151%0.50517%0.169SC..G310 helixtrans-86.2-10.2179.6-64.3178.1-65.600113.1V15 E16 P17 G21 H120V15-Q19 HydrophobicContact CB-CB 4.48Å; E16-Q19 HydrophobicContact CB-CG 4.09Å; E16-Q19 WeakPolarHBondContact O-CB 3.46Å; E16-Q19 PolarHBondContact O-N 3.49Å; P17-Q19 PolarHBondContact O-N 3.36Å; Q19-G21 PolarHBondContact O-N 3.49Å; Q19-H120 PolarHBondContact O-CD2 3.01Å; Q19-H120 PolarHBondContact O-NE2 3.34Å
20L98.6Very high98.4Very high2 Ų230.8 Ų30.81%0.0117%0.168CC..  trans-65.2-36.6-173.4-63.3-173.4000113.4V8 V15 P17 G93 T94 I122 L346V8-L20 HydrophobicContact CB-CD2 4.2Å; V8-L20 HydrophobicContact CG1-CD2 3.94Å; V8-L20 HydrophobicContact CG2-CD1 4.13Å; V8-L20 HydrophobicContact CG2-CD2 4.33Å; V8-L20 HydrophobicContact CG2-CG 4.45Å; V15-L20 HydrophobicContact CG2-CD2 3.99Å; P17-L20 WeakPolarHBondContact O-CG 3.44Å; P17-L20 PolarHBondContact O-N 3.47Å; L20-G93 CarbonylContact O-C 3.41Å; L20-G93 WeakPolarHBondContact O-CA 3.22Å; L20-T94 WeakPolarHBondContact CA-OG1 3.3Å; L20-T94 WeakPolarHBondContact CB-OG1 3.41Å; L20-T94 HydrophobicContact CD2-CG2 4.19Å; L20-T94 WeakPolarHBondContact O-CB 3.48Å; L20-T94 PolarHBondContact O-N 2.89Å; L20-T94 PolarHBondContact O-OG1 3.42Å; L20-I122 HydrophobicContact CD2-CD1 4.46Å; L20-L346 HydrophobicContact CD1-CB 4.29Å; L20-L346 HydrophobicContact CD1-CD1 3.87Å
21G98.4Very high98.2Very high32 Ų3230.7 Ų30.733%0.3317%0.168SC..  trans59.2-157.6-172.600000112.9Q19 T23 L339Q19-G21 PolarHBondContact O-N 3.49Å; G21-T23 PolarHBondContact O-N 2.98Å; G21-T23 PolarHBondContact O-OG1 3.07Å; G21-L339 WeakPolarHBondContact O-CD2 3.09Å
22Y98.8Very high98.1Very high69 Ų6932.6 Ų32.627%0.27118%0.178SC..EExtended strand (participates in β ladder)trans-60.2120.9179-74.2-77000110G91 G93 T94 L317 L338 L339Y22-G91 WeakPolarHBondContact CD2-O 3.49Å; Y22-G93 PolarHBondContact O-N 3.17Å; Y22-T94 PolarHBondContact O-N 3Å; Y22-T94 VanDerWaalsContact O-N 3.12Å; Y22-L317 HydrophobicContact CD1-CD2 4.04Å; Y22-L317 HydrophobicContact CG-CD2 4.13Å; Y22-L338 HydrophobicContact CD1-CB 3.73Å; Y22-L338 HydrophobicContact CD1-CD1 4.18Å; Y22-L338 HydrophobicContact CE1-CB 4.28Å; Y22-L338 HydrophobicContact CE1-CD1 4.48Å; Y22-L339 HydrophobicContact CD1-CD2 3.81Å; Y22-L339 HydrophobicContact CD1-CG 4.08Å; Y22-L339 HydrophobicContact CD2-CD2 4.23Å; Y22-L339 HydrophobicContact CE1-CD1 4.16Å; Y22-L339 HydrophobicContact CE1-CD2 4.17Å; Y22-L339 HydrophobicContact CE1-CG 4.07Å; Y22-L339 HydrophobicContact CG-CD2 3.85Å
23T98.9Very high98.1Very high1 Ų129.1 Ų29.11%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-116.6131-169.5-58.50000111.4G21 T25 T94 V96 L338 P342 L346G21-T23 PolarHBondContact O-N 2.98Å; G21-T23 PolarHBondContact O-OG1 3.07Å; T23-T25 HydrophobicContact CG2-CG2 4.2Å; T23-T94 WeakPolarHBondContact CA-O 3.44Å; T23-T94 HydrophobicContact CG2-CG2 3.95Å; T23-V96 HydrophobicContact CG2-CG2 4.39Å; T23-L338 PolarHBondContact N-O 3.4Å; T23-P342 HydrophobicContact CG2-CB 3.68Å; T23-P342 HydrophobicContact CG2-CG 4.36Å; T23-L346 HydrophobicContact CG2-CD1 4.01Å
24L98.9Very high98Very high1 Ų130.5 Ų30.51%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-96.2121.7165-57.2175.1000108.3E27 F87 T94 I95 V96 Y313 I316L24-E27 HydrophobicContact CB-CG 3.88Å; L24-E27 HydrophobicContact CD1-CG 4.18Å; L24-F87 HydrophobicContact CD1-CD2 4.01Å; L24-F87 HydrophobicContact CD1-CE2 3.61Å; L24-F87 HydrophobicContact CD1-CZ 3.96Å; L24-F87 HydrophobicContact CD2-CE2 4.37Å; L24-F87 HydrophobicContact CG-CE2 3.73Å; L24-F87 HydrophobicContact CG-CZ 3.86Å; L24-T94 PolarHBondContact N-O 3.48Å; L24-I95 HydrophobicContact CB-CG1 4.31Å; L24-I95 HydrophobicContact CD1-CD1 4.18Å; L24-I95 HydrophobicContact CD1-CG1 4.26Å; L24-V96 PolarHBondContact O-N 3.21Å; L24-Y313 WeakPolarHBondContact CD1-O 3.46Å; L24-I316 HydrophobicContact CD2-CB 4.31Å; L24-I316 HydrophobicContact CD2-CD1 3.91Å; L24-I316 HydrophobicContact CD2-CG2 4.46Å
25T98.8Very high97.8Very high0 Ų030.4 Ų30.40%017%0.169CC..EExtended strand (participates in β ladder)trans-90.5-8.8-168.550.70000114.8T23 V96 N98 E252 L294 M295 P342 W345T23-T25 HydrophobicContact CG2-CG2 4.2Å; T25-V96 VanDerWaalsContact O-CB 3.3Å; T25-V96 WeakPolarHBondContact O-CB 3.39Å; T25-N98 PolarHBondContact O-ND2 3.3Å; T25-E252 WeakPolarHBondContact CB-OE1 3.32Å; T25-E252 PolarHBondContact OG1-OE1 3.1Å; T25-L294 HydrophobicContact CG2-CB 4.33Å; T25-L294 HydrophobicContact CG2-CD1 4.15Å; T25-L294 HydrophobicContact CG2-CD2 4.09Å; T25-L294 HydrophobicContact CG2-CG 4.42Å; T25-M295 PolarHBondContact OG1-O 2.9Å; T25-P342 HydrophobicContact CG2-CB 3.92Å; T25-P342 HydrophobicContact CG2-CG 3.89Å; T25-W345 HydrophobicContact CG2-CE3 3.98Å; T25-W345 HydrophobicContact CG2-CZ3 3.68Å
26H98.9Very high97.6Very high0 Ų030.6 Ų30.60%017%0.17CC..EExtended strand (participates in β ladder)trans-15097.7-179.4-162145.1000112.2H28 N98 E169 I199 S229 H230 E252 D254 A296 D298H26-H28 AromaticContact CD2-NE2 3.89Å; H26-H28 AromaticContact NE2-NE2 3.59Å; H26-N98 WeakPolarHBondContact CA-ND2 3.34Å; H26-E169 IonicContact CE1-OE2 3.62Å; H26-E169 IonicContact NE2-OE2 3.69Å; H26-I199 HydrophobicContact CB-CD1 4.39Å; H26-S229 PolarHBondContact ND1-OG 3.03Å; H26-H230 AromaticContact CE1-CE1 3.61Å; H26-H230 AromaticContact CE1-NE2 3.91Å; H26-E252 IonicContact CG-OE2 3.85Å; H26-E252 IonicContact ND1-OE2 3.17Å; H26-E252 PolarHBondContact ND1-OE2 3.21Å; H26-D254 HydrophobicContact CB-CB 3.79Å; H26-D254 IonicContact ND1-OD2 3.56Å; H26-D254 PolarHBondContact ND1-OD2 2.89Å; H26-A296 HydrophobicContact CB-CB 3.65Å; H26-A296 VanDerWaalsContact N-CB 3.26Å; H26-A296 WeakPolarHBondContact O-CB 3.11Å; H26-D298 WeakPolarHBondContact O-CA 3.47Å; H26-D298 PolarHBondContact O-N 3.14Å
27E98.9Very high97.5Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-139.4166.2172.7-54.8-61.2165.200111.1L24 I95 V96 E97 N98 H297 D298 V299 Y313L24-E27 HydrophobicContact CB-CG 3.88Å; L24-E27 HydrophobicContact CD1-CG 4.18Å; E27-I95 HydrophobicContact CB-CG2 3.63Å; E27-I95 HydrophobicContact CG-CD1 4.47Å; E27-I95 HydrophobicContact CG-CG2 3.78Å; E27-V96 PolarHBondContact N-O 3.06Å; E27-E97 WeakPolarHBondContact O-CA 3.4Å; E27-N98 PolarHBondContact O-N 2.77Å; E27-H297 WeakPolarHBondContact OE1-CB 3.44Å; E27-H297 IonicContact OE1-CE1 3.8Å; E27-H297 IonicContact OE1-CG 3.16Å; E27-H297 PolarHBondContact OE1-N 3.02Å; E27-H297 IonicContact OE1-ND1 2.67Å; E27-H297 PolarHBondContact OE1-ND1 3.01Å; E27-H297 IonicContact OE2-ND1 2.57Å; E27-D298 PolarHBondContact OE2-N 3.06Å; E27-V299 PolarHBondContact OE2-N 3.24Å; E27-Y313 HydrophobicContact CB-CD1 4.33Å; E27-Y313 HydrophobicContact CB-CE1 4.06Å; E27-Y313 HydrophobicContact CG-CD1 4.05Å; E27-Y313 HydrophobicContact CG-CE1 4.28Å
28H98.8Very high97.4Very high2 Ų230 Ų301%0.00917%0.167CC..  trans-125137.1169.1-58.6-90.3000109.9H26 M31 L73 E97 T99 E169 D298 V299 H300 Y313H26-H28 AromaticContact CD2-NE2 3.89Å; H26-H28 AromaticContact NE2-NE2 3.59Å; H28-M31 HydrophobicContact CB-CB 3.96Å; H28-M31 HydrophobicContact CB-SD 4.17Å; H28-M31 PolarHBondContact ND1-SD 3.45Å; H28-L73 HydrophobicContact CB-CD2 4.3Å; H28-L73 VanDerWaalsContact O-CD2 3.27Å; H28-L73 WeakPolarHBondContact O-CD2 3.48Å; H28-E97 WeakPolarHBondContact CA-OE1 3.47Å; H28-T99 PolarHBondContact ND1-N 3.04Å; H28-T99 PolarHBondContact ND1-OG1 3.18Å; H28-E169 IonicContact CE1-OE1 3.89Å; H28-E169 PolarHBondContact CE1-OE1 2.78Å; H28-E169 VanDerWaalsContact CE1-OE1 3.31Å; H28-E169 IonicContact NE2-OE1 3.21Å; H28-D298 IonicContact CD2-OD1 3.92Å; H28-D298 PolarHBondContact CD2-OD1 2.88Å; H28-D298 IonicContact NE2-OD1 3.14Å; H28-D298 PolarHBondContact NE2-OD1 3.28Å; H28-V299 WeakPolarHBondContact CB-O 3.46Å; H28-V299 PolarHBondContact N-O 2.92Å; H28-H300 HydrophobicContact CB-CB 4.3Å; H28-Y313 PolarHBondContact O-OH 2.97Å
29L98.5Very high97.2Very high0 Ų029 Ų290%017%0.167CC..SBendtrans-111.3-27.8-176-61.1-179.2000112.8V80 L84 E97 L110 L113 I121 Y313L29-V80 HydrophobicContact CB-CG1 4.09Å; L29-V80 HydrophobicContact CD2-CG1 3.79Å; L29-V80 HydrophobicContact CG-CG1 4.47Å; L29-L84 HydrophobicContact CD1-CD1 4.38Å; L29-L84 HydrophobicContact CD2-CD2 4.09Å; L29-E97 HydrophobicContact CB-CG 3.94Å; L29-E97 HydrophobicContact CD1-CG 3.98Å; L29-E97 HydrophobicContact CG-CG 3.7Å; L29-E97 PolarHBondContact N-OE1 3.35Å; L29-L110 HydrophobicContact CB-CD2 3.86Å; L29-L110 HydrophobicContact CD1-CD2 4.02Å; L29-L110 HydrophobicContact CG-CD2 4.44Å; L29-L113 HydrophobicContact CB-CD1 4.18Å; L29-L113 HydrophobicContact CD1-CD1 4.34Å; L29-I121 HydrophobicContact CD1-CD1 3.62Å; L29-I121 HydrophobicContact CD1-CG1 4.1Å; L29-I121 HydrophobicContact CD1-CG2 4.2Å; L29-Y313 HydrophobicContact CD2-CE1 4.04Å; L29-Y313 HydrophobicContact CD2-CE2 4.07Å
30T94.4Very high97.1Very high4 Ų425.1 Ų25.13%0.02515%0.151CC..SBendtrans-143.536.2-172.2620000112.9C74 T109 L110 L113T30-C74 VanDerWaalsContact O-CB 3.24Å; T30-C74 WeakPolarHBondContact O-CB 3.23Å; T30-T109 HydrophobicContact CG2-CG2 3.39Å; T30-L110 HydrophobicContact CG2-CD2 4.39Å; T30-L113 HydrophobicContact CG2-CD1 4.43Å
31M96.1Very high96.8Very high1 Ų127 Ų271%0.00517%0.167CC..  trans-83.6149.5-169.5-163.3179.277.600114H28 Y33 L73 C74 T99 I103 H300H28-M31 HydrophobicContact CB-CB 3.96Å; H28-M31 HydrophobicContact CB-SD 4.17Å; H28-M31 PolarHBondContact ND1-SD 3.45Å; M31-Y33 VanDerWaalsContact CE-CB 3.43Å; M31-Y33 HydrophobicContact CE-CD1 4.22Å; M31-Y33 HydrophobicContact CE-CD2 3.16Å; M31-Y33 HydrophobicContact CE-CE2 3.94Å; M31-Y33 HydrophobicContact CE-CG 3.33Å; M31-Y33 HydrophobicContact SD-CD2 3.94Å; M31-Y33 HydrophobicContact SD-CE2 4.44Å; M31-L73 PolarHBondContact O-N 2.93Å; M31-L73 VanDerWaalsContact O-N 3.15Å; M31-C74 PolarHBondContact O-N 3.08Å; M31-T99 HydrophobicContact CB-CG2 4.22Å; M31-T99 HydrophobicContact CG-CG2 3.89Å; M31-I103 HydrophobicContact CG-CB 3.95Å; M31-I103 HydrophobicContact CG-CD1 4.37Å; M31-I103 HydrophobicContact CG-CG1 4.5Å; M31-I103 VanDerWaalsContact CG-O 3.3Å; M31-I103 WeakPolarHBondContact CG-O 3.36Å; M31-I103 HydrophobicContact SD-CB 4.21Å; M31-I103 HydrophobicContact SD-CD1 3.81Å; M31-I103 HydrophobicContact SD-CG1 4.5Å; M31-H300 HydrophobicContact CE-CB 3.49Å; M31-H300 VanDerWaalsContact CE-CB 3.49Å; M31-H300 HydrophobicContact SD-CB 4.39Å
32N96.7Very high96.5Very high48 Ų4831.3 Ų31.326%0.25719%0.189SC..BIsolated β-bridgetrans-111.7109.8163.4-179.7-11.7000109.9S34 L72 I103N32-S34 VanDerWaalsContact OD1-CB 3.22Å; N32-S34 WeakPolarHBondContact OD1-CB 3.32Å; N32-S34 PolarHBondContact OD1-N 3.17Å; N32-S34 PolarHBondContact OD1-OG 3.36Å; N32-L72 WeakPolarHBondContact OD1-CD2 3.43Å; N32-I103 PolarHBondContact N-O 3.08Å; N32-I103 VanDerWaalsContact N-O 3.09Å
33Y96.9Very high96.3Very high9 Ų934.2 Ų34.24%0.03521%0.209CC..  trans-10020.4-178.1-141.5-135.2000114.7M31 C35 C36 Y65 L71 I103 Y128 F265 H300M31-Y33 VanDerWaalsContact CE-CB 3.43Å; M31-Y33 HydrophobicContact CE-CD1 4.22Å; M31-Y33 HydrophobicContact CE-CD2 3.16Å; M31-Y33 HydrophobicContact CE-CE2 3.94Å; M31-Y33 HydrophobicContact CE-CG 3.33Å; M31-Y33 HydrophobicContact SD-CD2 3.94Å; M31-Y33 HydrophobicContact SD-CE2 4.44Å; Y33-C35 PolarHBondContact O-N 2.82Å; Y33-C35 VanDerWaalsContact O-N 3.07Å; Y33-C36 HydrophobicContact CD1-CB 3.59Å; Y33-C36 HydrophobicContact CE1-CB 3.42Å; Y33-C36 VanDerWaalsContact CE1-CB 3.42Å; Y33-C36 VanDerWaalsContact CE1-SG 3.53Å; Y33-C36 HydrophobicContact CE2-CB 4.44Å; Y33-C36 HydrophobicContact CG-CB 4.17Å; Y33-C36 PolarHBondContact O-N 3.39Å; Y33-Y65 HydrophobicContact CD1-CD1 4.13Å; Y33-Y65 AromaticContact CD1-CE1 3.86Å; Y33-Y65 HydrophobicContact CD1-CE1 3.86Å; Y33-Y65 HydrophobicContact CE1-CD1 4.23Å; Y33-Y65 AromaticContact CE1-CE1 3.73Å; Y33-Y65 HydrophobicContact CE1-CE1 3.73Å; Y33-L71 HydrophobicContact CD1-CD2 4.43Å; Y33-L71 PolarHBondContact N-O 2.87Å; Y33-I103 HydrophobicContact CD2-CG2 4.21Å; Y33-I103 HydrophobicContact CE2-CG2 4.36Å; Y33-Y128 AromaticContact CE2-CE1 3.86Å; Y33-Y128 HydrophobicContact CE2-CE1 3.86Å; Y33-Y128 PolarHBondContact OH-OH 2.57Å; Y33-F265 HydrophobicContact CE1-CE2 4.37Å; Y33-F265 HydrophobicContact CE1-CZ 4.28Å; Y33-H300 AromaticContact CD1-CD2 3.95Å
34S95.9Very high96.1Very high54 Ų5436.9 Ų36.938%0.37822%0.222SC..G310 helixtrans-59.8-23.4-176.8-60.90000113.5N32 C36 Y37 L72N32-S34 VanDerWaalsContact OD1-CB 3.22Å; N32-S34 WeakPolarHBondContact OD1-CB 3.32Å; N32-S34 PolarHBondContact OD1-N 3.17Å; N32-S34 PolarHBondContact OD1-OG 3.36Å; S34-C36 PolarHBondContact O-N 2.96Å; S34-Y37 WeakPolarHBondContact O-CB 3.49Å; S34-Y37 PolarHBondContact O-N 3.35Å; S34-L72 WeakPolarHBondContact OG-CD2 3.5Å
35C94.1Very high95.8Very high62 Ų6242 Ų4242%0.41924%0.244SC..G310 helixtrans-60.6-20.5174.260.60000113.2Y33 T132Y33-C35 PolarHBondContact O-N 2.82Å; Y33-C35 VanDerWaalsContact O-N 3.07Å; C35-T132 HydrophobicContact CB-CG2 4.07Å
36C95.1Very high95.5Very high20 Ų2046.8 Ų46.814%0.13528%0.275CS..G310 helixtrans-105.617.5-178.7-64.10000113.2Y33 S34 C38 F265Y33-C36 HydrophobicContact CD1-CB 3.59Å; Y33-C36 HydrophobicContact CE1-CB 3.42Å; Y33-C36 VanDerWaalsContact CE1-CB 3.42Å; Y33-C36 VanDerWaalsContact CE1-SG 3.53Å; Y33-C36 HydrophobicContact CE2-CB 4.44Å; Y33-C36 HydrophobicContact CG-CB 4.17Å; Y33-C36 PolarHBondContact O-N 3.39Å; S34-C36 PolarHBondContact O-N 2.96Å; C36-C38 PolarHBondContact O-N 3.37Å; C36-F265 HydrophobicContact CB-CE1 3.9Å; C36-F265 HydrophobicContact CB-CZ 3.59Å; C36-F265 WeakPolarHBondContact O-CE1 3.19Å
37Y96.6Very high95.2Very high64 Ų6449.9 Ų49.925%0.25129%0.291SS..  trans-64.2127.3177.3177.6-101.2000112.2S34 P39 P40 S48 Y65 K68 L71S34-Y37 WeakPolarHBondContact O-CB 3.49Å; S34-Y37 PolarHBondContact O-N 3.35Å; Y37-P39 HydrophobicContact CD1-CG 4.39Å; Y37-P39 HydrophobicContact CE1-CB 4.3Å; Y37-P39 HydrophobicContact CE1-CG 3.99Å; Y37-P40 WeakPolarHBondContact OH-CD 3.45Å; Y37-S48 PolarHBondContact OH-OG 2.84Å; Y37-Y65 WeakPolarHBondContact CA-O 3.36Å; Y37-Y65 VanDerWaalsContact CD2-O 3.31Å; Y37-Y65 WeakPolarHBondContact CD2-O 3.36Å; Y37-K68 HydrophobicContact CD2-CG 3.67Å; Y37-K68 HydrophobicContact CE2-CD 4.39Å; Y37-K68 HydrophobicContact CE2-CG 3.43Å; Y37-K68 VanDerWaalsContact CE2-CG 3.43Å; Y37-K68 HydrophobicContact CG-CG 4.42Å; Y37-L71 HydrophobicContact CD2-CD1 4.16Å
38C95.6Very high94.9Very high28 Ų2850.1 Ų50.119%0.18929%0.293CS..  trans-110114.5175.1-63.30000109.5C36 Y65 S66 Q264C36-C38 PolarHBondContact O-N 3.37Å; C38-Y65 PolarHBondContact N-O 3.29Å; C38-S66 WeakPolarHBondContact O-CA 3.33Å; C38-S66 VanDerWaalsContact O-CB 3.29Å; C38-S66 WeakPolarHBondContact O-CB 3.31Å; C38-S66 PolarHBondContact O-OG 3.23Å; C38-Q264 HydrophobicContact CB-CB 4.47Å
39P94.8Very high94.6Very high104 Ų10456.1 Ų56.168%0.67532%0.321SS*.PPolyproline II helixtrans-56.7133.4177.6-24.333.3000112.2Y37Y37-P39 HydrophobicContact CD1-CG 4.39Å; Y37-P39 HydrophobicContact CE1-CB 4.3Å; Y37-P39 HydrophobicContact CE1-CG 3.99Å
40P94.4Very high94.1Very high26 Ų2657 Ų5717%0.16933%0.33CS..PPolyproline II helixtrans-72.4170174.535.3-40.8000111.3Y37 Q44 W59Y37-P40 WeakPolarHBondContact OH-CD 3.45Å; P40-Q44 HydrophobicContact CB-CB 4.14Å; P40-W59 HydrophobicContact CB-CH2 4.31Å; P40-W59 HydrophobicContact CB-CZ2 4.04Å
41A92.4Very high94Very high43 Ų4360.4 Ų60.436%0.35535%0.352SS..PPolyproline II helixtrans-59.4148.4166.600000111.2D43 Q44 K45A41-D43 VanDerWaalsContact C-N 3.26Å; A41-D43 VanDerWaalsContact CB-OD1 3.24Å; A41-D43 WeakPolarHBondContact CB-OD1 3.47Å; A41-D43 PolarHBondContact O-N 3.43Å; A41-D43 VanDerWaalsContact O-N 3.16Å; A41-Q44 HydrophobicContact CB-CG 4.34Å; A41-Q44 PolarHBondContact O-N 3.12Å; A41-K45 PolarHBondContact O-N 3.28Å
42P93.8Very high93.9Very high121 Ų12161.6 Ų61.679%0.78636%0.358SS*.G310 helixtrans-55.5-35.6-174.2-2935.9000115.3Q44 K45P42-Q44 VanDerWaalsContact C-N 3.28Å; P42-Q44 PolarHBondContact O-N 2.85Å; P42-K45 WeakPolarHBondContact O-CB 3.41Å; P42-K45 PolarHBondContact O-N 3.02Å
43D94.2Very high93.8Very high130 Ų13062.9 Ų62.970%0.69536%0.363SS*.G310 helixtrans-72.8-18.8178.263.7-45.9000113.3A41A41-D43 VanDerWaalsContact C-N 3.26Å; A41-D43 VanDerWaalsContact CB-OD1 3.24Å; A41-D43 WeakPolarHBondContact CB-OD1 3.47Å; A41-D43 PolarHBondContact O-N 3.43Å; A41-D43 VanDerWaalsContact O-N 3.16Å
44Q93.6Very high93.7Very high58 Ų5870.9 Ų70.927%0.27140%0.402SS..G310 helixtrans-96.1-2.6179.2-61.8-178.4-15.900113.4P40 A41 P42 P46 L47 S48 W59P40-Q44 HydrophobicContact CB-CB 4.14Å; A41-Q44 HydrophobicContact CB-CG 4.34Å; A41-Q44 PolarHBondContact O-N 3.12Å; P42-Q44 VanDerWaalsContact C-N 3.28Å; P42-Q44 PolarHBondContact O-N 2.85Å; Q44-P46 VanDerWaalsContact C-CD 3.4Å; Q44-P46 VanDerWaalsContact C-N 3.33Å; Q44-L47 WeakPolarHBondContact O-CB 3.18Å; Q44-L47 PolarHBondContact O-N 3.08Å; Q44-S48 PolarHBondContact O-N 3.38Å; Q44-W59 HydrophobicContact CB-CZ2 4.12Å
45K92.5Very high93.6Very high108 Ų10876.7 Ų76.747%0.4742%0.421SS..Hα-helixtrans-51-40.5179.8-171.9176.6178.9-177.90114.3A41 P42 L47 S48 E49A41-K45 PolarHBondContact O-N 3.28Å; P42-K45 WeakPolarHBondContact O-CB 3.41Å; P42-K45 PolarHBondContact O-N 3.02Å; K45-L47 PolarHBondContact O-N 3.41Å; K45-S48 WeakPolarHBondContact O-CB 3.17Å; K45-S48 PolarHBondContact O-N 3.06Å; K45-S48 VanDerWaalsContact O-N 3.11Å; K45-E49 WeakPolarHBondContact CE-OE1 3.46Å; K45-E49 VanDerWaalsContact CE-OE2 3.28Å; K45-E49 WeakPolarHBondContact CE-OE2 3.49Å; K45-E49 HydrophobicContact CG-CG 4.25Å; K45-E49 IonicContact NZ-OE1 2.68Å; K45-E49 PolarHBondContact O-N 2.93Å; K45-E49 VanDerWaalsContact O-N 3.17Å
46P92.6Very high93.6Very high100 Ų10074 Ų7465%0.64940%0.403SS*.Hα-helixtrans-61.6-28.1176.7-24.435.8000114.5Q44Q44-P46 VanDerWaalsContact C-CD 3.4Å; Q44-P46 VanDerWaalsContact C-N 3.33Å
47L92.9Very high93.6Very high66 Ų6674.7 Ų74.735%0.34641%0.405SS..Hα-helixtrans-77.3-29177-64.3168.8000112.1Q44 K45 N56 W59 H67Q44-L47 WeakPolarHBondContact O-CB 3.18Å; Q44-L47 PolarHBondContact O-N 3.08Å; K45-L47 PolarHBondContact O-N 3.41Å; L47-N56 HydrophobicContact CD2-CB 4.02Å; L47-W59 HydrophobicContact CB-CD2 3.71Å; L47-W59 HydrophobicContact CB-CE3 3.7Å; L47-W59 HydrophobicContact CB-CG 4.25Å; L47-W59 HydrophobicContact CB-CH2 4.33Å; L47-W59 HydrophobicContact CB-CZ2 4.32Å; L47-W59 HydrophobicContact CB-CZ3 4.03Å; L47-W59 HydrophobicContact CD1-CB 4.3Å; L47-W59 HydrophobicContact CD1-CD2 3.99Å; L47-W59 HydrophobicContact CD1-CG 3.71Å; L47-W59 HydrophobicContact CG-CD2 4.44Å; L47-H67 PolarHBondContact O-CD2 2.78Å; L47-H67 VanDerWaalsContact O-CD2 3.28Å
48S93.2Very high93.5Very high4 Ų479.2 Ų79.23%0.02843%0.426CS..Hα-helixtrans-78.7-34.6-178.3171.10000114.2Y37 Q44 K45 S66 H67Y37-S48 PolarHBondContact OH-OG 2.84Å; Q44-S48 PolarHBondContact O-N 3.38Å; K45-S48 WeakPolarHBondContact O-CB 3.17Å; K45-S48 PolarHBondContact O-N 3.06Å; K45-S48 VanDerWaalsContact O-N 3.11Å; S48-S66 WeakPolarHBondContact CB-O 3.41Å; S48-S66 PolarHBondContact OG-O 3.42Å; S48-H67 PolarHBondContact O-CD2 3.38Å
49E91.6Very high93.5Very high128 Ų12879.2 Ų79.260%0.59842%0.422SS*.Hα-helixtrans-97.3-8.2-175-63.5-177.6155.100113.3K45K45-E49 WeakPolarHBondContact CE-OE1 3.46Å; K45-E49 VanDerWaalsContact CE-OE2 3.28Å; K45-E49 WeakPolarHBondContact CE-OE2 3.49Å; K45-E49 HydrophobicContact CG-CG 4.25Å; K45-E49 IonicContact NZ-OE1 2.68Å; K45-E49 PolarHBondContact O-N 2.93Å; K45-E49 VanDerWaalsContact O-N 3.17Å
50G88.7Confident93.5Very high18 Ų1874.3 Ų74.319%0.18639%0.39CS..SBendtrans-73.4171.8178.500000113.6H67G50-H67 PolarHBondContact O-CE1 3.46Å; G50-H67 PolarHBondContact O-NE2 3.01Å
51P92.2Very high93.5Very high76 Ų7677.2 Ų77.249%0.49440%0.4SS..  trans-67.2157.8166.928.7-34.8000111.6E53 N56P51-E53 HydrophobicContact CB-CG 4.13Å; P51-E53 HydrophobicContact CG-CG 3.8Å; P51-E53 WeakPolarHBondContact CG-OE1 3.33Å; P51-E53 PolarHBondContact O-N 2.9Å; P51-N56 PolarHBondContact O-ND2 3.44Å
52L94.4Very high93.5Very high27 Ų2777 Ų7714%0.14139%0.391CS..  trans-70.8107.8169.2-73.987.5000109.2I60 E69 K302 N303 Y308L52-I60 HydrophobicContact CG-CD1 4.06Å; L52-E69 HydrophobicContact CD1-CB 3.65Å; L52-K302 HydrophobicContact CD1-CD 4.43Å; L52-K302 HydrophobicContact CD2-CB 3.75Å; L52-N303 HydrophobicContact CD2-CB 4.47Å; L52-Y308 HydrophobicContact CB-CD1 3.77Å; L52-Y308 HydrophobicContact CB-CE1 3.81Å; L52-Y308 HydrophobicContact CD2-CD1 3.96Å; L52-Y308 HydrophobicContact CD2-CE1 4.22Å; L52-Y308 HydrophobicContact CD2-CG 4.19Å
53E94.2Very high93.6Very high75 Ų7572.5 Ų72.535%0.3536%0.361SS..  trans-137.3152.4-174.7-71.4-179.4163.300111.4P51 K55 N56 L57P51-E53 HydrophobicContact CB-CG 4.13Å; P51-E53 HydrophobicContact CG-CG 3.8Å; P51-E53 WeakPolarHBondContact CG-OE1 3.33Å; P51-E53 PolarHBondContact O-N 2.9Å; E53-K55 HydrophobicContact CB-CG 4.27Å; E53-K55 PolarHBondContact O-N 2.91Å; E53-K55 WeakPolarHBondContact OE2-CE 3.29Å; E53-K55 IonicContact OE2-NZ 3.18Å; E53-K55 PolarHBondContact OE2-NZ 3.18Å; E53-N56 PolarHBondContact N-OD1 2.98Å; E53-N56 PolarHBondContact O-N 2.89Å; E53-N56 PolarHBondContact O-OD1 3.04Å; E53-L57 WeakPolarHBondContact O-CG 3.38Å; E53-L57 PolarHBondContact O-N 3.04Å; E53-L57 VanDerWaalsContact O-N 3.08Å
54M95Very high93.6Very high176 Ų17666.5 Ų66.587%0.86733%0.329SS*.THydrogen-bonded Turntrans-50.4-33.5-177.6-172.2170.9-80.600114.2N56M54-N56 PolarHBondContact O-N 3.41Å
55K94.1Very high93.8Very high176 Ų17664.3 Ų64.377%0.76532%0.319SS*.THydrogen-bonded Turntrans-68.8-25.2179.274.2-172.4-171.4-145.50114.9E53E53-K55 HydrophobicContact CB-CG 4.27Å; E53-K55 PolarHBondContact O-N 2.91Å; E53-K55 WeakPolarHBondContact OE2-CE 3.29Å; E53-K55 IonicContact OE2-NZ 3.18Å; E53-K55 PolarHBondContact OE2-NZ 3.18Å
56N94.4Very high94Very high7 Ų759.3 Ų59.34%0.03730%0.297CS..THydrogen-bonded Turntrans-113.2-6.7-179.469.7-2.2000113.7L47 P51 E53 M54 F58 W59 I60L47-N56 HydrophobicContact CD2-CB 4.02Å; P51-N56 PolarHBondContact O-ND2 3.44Å; E53-N56 PolarHBondContact N-OD1 2.98Å; E53-N56 PolarHBondContact O-N 2.89Å; E53-N56 PolarHBondContact O-OD1 3.04Å; M54-N56 PolarHBondContact O-N 3.41Å; N56-F58 VanDerWaalsContact C-N 3.27Å; N56-F58 PolarHBondContact O-N 3.39Å; N56-F58 VanDerWaalsContact O-N 3.16Å; N56-W59 WeakPolarHBondContact O-CB 3.36Å; N56-W59 PolarHBondContact O-N 3.5Å; N56-I60 WeakPolarHBondContact O-CG1 3.1Å; N56-I60 PolarHBondContact O-N 2.94Å; N56-I60 WeakPolarHBondContact OD1-CD1 3.33Å
57L94.3Very high94.2Very high34 Ų3454.5 Ų54.518%0.17827%0.266CS..Hα-helixtrans-53.6-38.2-177.8-77.9180000114.3E53 I60 K61 Y308E53-L57 WeakPolarHBondContact O-CG 3.38Å; E53-L57 PolarHBondContact O-N 3.04Å; E53-L57 VanDerWaalsContact O-N 3.08Å; L57-I60 PolarHBondContact O-N 3.31Å; L57-K61 WeakPolarHBondContact O-CB 3.42Å; L57-K61 PolarHBondContact O-N 3.1Å; L57-Y308 WeakPolarHBondContact CD1-O 3.42Å
58F94.5Very high94.3Very high159 Ų15957 Ų5770%0.69727%0.274SS*.Hα-helixtrans-62.3-45.1177.3178.3-101.7000111.5N56 K61 Q62N56-F58 VanDerWaalsContact C-N 3.27Å; N56-F58 PolarHBondContact O-N 3.39Å; N56-F58 VanDerWaalsContact O-N 3.16Å; F58-K61 PolarHBondContact O-N 3.49Å; F58-Q62 HydrophobicContact CE1-CG 4.1Å; F58-Q62 HydrophobicContact CE2-CG 4.26Å; F58-Q62 HydrophobicContact CZ-CG 3.92Å; F58-Q62 WeakPolarHBondContact O-CG 3.48Å; F58-Q62 PolarHBondContact O-N 3.11Å; F58-Q62 VanDerWaalsContact O-N 3.13Å
59W95.2Very high94.4Very high28 Ų2860.6 Ų60.611%0.10629%0.291CS..Hα-helixtrans-63.5-42.6177.1178.988.6000111.3P40 Q44 L47 N56 K61 Q62 N63 H67P40-W59 HydrophobicContact CB-CH2 4.31Å; P40-W59 HydrophobicContact CB-CZ2 4.04Å; Q44-W59 HydrophobicContact CB-CZ2 4.12Å; L47-W59 HydrophobicContact CB-CD2 3.71Å; L47-W59 HydrophobicContact CB-CE3 3.7Å; L47-W59 HydrophobicContact CB-CG 4.25Å; L47-W59 HydrophobicContact CB-CH2 4.33Å; L47-W59 HydrophobicContact CB-CZ2 4.32Å; L47-W59 HydrophobicContact CB-CZ3 4.03Å; L47-W59 HydrophobicContact CD1-CB 4.3Å; L47-W59 HydrophobicContact CD1-CD2 3.99Å; L47-W59 HydrophobicContact CD1-CG 3.71Å; L47-W59 HydrophobicContact CG-CD2 4.44Å; N56-W59 WeakPolarHBondContact O-CB 3.36Å; N56-W59 PolarHBondContact O-N 3.5Å; W59-K61 VanDerWaalsContact C-N 3.33Å; W59-K61 PolarHBondContact O-N 3.43Å; W59-Q62 CarbonylContact O-C 3.54Å; W59-Q62 PolarHBondContact O-N 2.67Å; W59-Q62 VanDerWaalsContact O-N 3.15Å; W59-N63 HydrophobicContact CD2-CB 4.43Å; W59-N63 HydrophobicContact CH2-CB 4.21Å; W59-N63 HydrophobicContact CZ2-CB 3.98Å; W59-N63 PolarHBondContact NE1-ND2 3.4Å; W59-N63 PolarHBondContact O-N 3.28Å; W59-N63 PolarHBondContact O-ND2 3.02Å; W59-H67 HydrophobicContact CZ3-CB 4.36Å
60I95.8Very high94.7Very high0 Ų054.5 Ų54.50%026%0.262CS..Hα-helixtrans-61.6-42176.3-61.7173.3000110.4L52 N56 L57 Q62 N63 P64 H67 N70 N303L52-I60 HydrophobicContact CG-CD1 4.06Å; N56-I60 WeakPolarHBondContact O-CG1 3.1Å; N56-I60 PolarHBondContact O-N 2.94Å; N56-I60 WeakPolarHBondContact OD1-CD1 3.33Å; L57-I60 PolarHBondContact O-N 3.31Å; I60-Q62 VanDerWaalsContact C-N 3.25Å; I60-Q62 PolarHBondContact O-N 2.57Å; I60-N63 CarbonylContact O-C 3.15Å; I60-N63 PolarHBondContact O-N 3.14Å; I60-N63 VanDerWaalsContact O-N 3.15Å; I60-P64 WeakPolarHBondContact O-CA 3.42Å; I60-H67 VanDerWaalsContact CD1-CD2 3.48Å; I60-H67 WeakPolarHBondContact CD1-CD2 3.46Å; I60-H67 HydrophobicContact CG1-CB 4.44Å; I60-H67 HydrophobicContact CG2-CB 4.37Å; I60-N70 HydrophobicContact CG2-CB 4.26Å; I60-N303 HydrophobicContact CG2-CB 3.85Å
61K93.9Very high95.1Very high88 Ų8853.7 Ų53.738%0.38325%0.253SS..Hα-helixtrans-60-36.4176.3-175.4178.1178.1-177.70112.2L57 F58 W59 E259L57-K61 WeakPolarHBondContact O-CB 3.42Å; L57-K61 PolarHBondContact O-N 3.1Å; F58-K61 PolarHBondContact O-N 3.49Å; W59-K61 VanDerWaalsContact C-N 3.33Å; W59-K61 PolarHBondContact O-N 3.43Å; K61-E259 WeakPolarHBondContact CE-O 3.47Å
62Q93.6Very high95.4Very high37 Ų3751.2 Ų51.217%0.17324%0.236CC..Hα-helixtrans-83-18.6177.8-61.5-52.6-59.300113.7F58 W59 I60 P64F58-Q62 HydrophobicContact CE1-CG 4.1Å; F58-Q62 HydrophobicContact CE2-CG 4.26Å; F58-Q62 HydrophobicContact CZ-CG 3.92Å; F58-Q62 WeakPolarHBondContact O-CG 3.48Å; F58-Q62 PolarHBondContact O-N 3.11Å; F58-Q62 VanDerWaalsContact O-N 3.13Å; W59-Q62 CarbonylContact O-C 3.54Å; W59-Q62 PolarHBondContact O-N 2.67Å; W59-Q62 VanDerWaalsContact O-N 3.15Å; I60-Q62 VanDerWaalsContact C-N 3.25Å; I60-Q62 PolarHBondContact O-N 2.57Å; Q62-P64 VanDerWaalsContact C-CD 3.47Å
63N94.8Very high95.5Very high27 Ų2750 Ų5014%0.14423%0.229CC..SBendtrans-134.555.2-178.8-54.8-90.3000110.8W59 I60 Y65 S66 Q264W59-N63 HydrophobicContact CD2-CB 4.43Å; W59-N63 HydrophobicContact CH2-CB 4.21Å; W59-N63 HydrophobicContact CZ2-CB 3.98Å; W59-N63 PolarHBondContact NE1-ND2 3.4Å; W59-N63 PolarHBondContact O-N 3.28Å; W59-N63 PolarHBondContact O-ND2 3.02Å; I60-N63 CarbonylContact O-C 3.15Å; I60-N63 PolarHBondContact O-N 3.14Å; I60-N63 VanDerWaalsContact O-N 3.15Å; N63-Y65 PolarHBondContact O-N 3.4Å; N63-Y65 VanDerWaalsContact O-N 3.08Å; N63-S66 PolarHBondContact O-N 3.02Å; N63-Q264 VanDerWaalsContact CA-OE1 3.3Å
64P95.1Very high95.6Very high5 Ų548.6 Ų48.63%0.03223%0.228CC..G310 helixtrans-63.4-24.1-167.925.1-34.2000112.7I60 Q62 N70 F260I60-P64 WeakPolarHBondContact O-CA 3.42Å; Q62-P64 VanDerWaalsContact C-CD 3.47Å; P64-N70 PolarHBondContact O-ND2 2.97Å; P64-F260 HydrophobicContact CG-CD1 4.16Å; P64-F260 HydrophobicContact CG-CE1 4.07Å
65Y96.8Very high95.7Very high12 Ų1245 Ų455%0.04721%0.209CC..G310 helixtrans-92.9-2.2179.9-49.9-67.5000113.8Y33 Y37 C38 N63 L71 Q264 F265 H300Y33-Y65 HydrophobicContact CD1-CD1 4.13Å; Y33-Y65 AromaticContact CD1-CE1 3.86Å; Y33-Y65 HydrophobicContact CD1-CE1 3.86Å; Y33-Y65 HydrophobicContact CE1-CD1 4.23Å; Y33-Y65 AromaticContact CE1-CE1 3.73Å; Y33-Y65 HydrophobicContact CE1-CE1 3.73Å; Y37-Y65 WeakPolarHBondContact CA-O 3.36Å; Y37-Y65 VanDerWaalsContact CD2-O 3.31Å; Y37-Y65 WeakPolarHBondContact CD2-O 3.36Å; C38-Y65 PolarHBondContact N-O 3.29Å; N63-Y65 PolarHBondContact O-N 3.4Å; N63-Y65 VanDerWaalsContact O-N 3.08Å; Y65-L71 HydrophobicContact CD1-CD2 3.81Å; Y65-L71 HydrophobicContact CE1-CD2 4.49Å; Y65-Q264 HydrophobicContact CD2-CB 4.2Å; Y65-Q264 HydrophobicContact CD2-CG 4.41Å; Y65-F265 AromaticContact CD1-CE2 3.9Å; Y65-F265 HydrophobicContact CD1-CE2 3.9Å; Y65-F265 AromaticContact CD1-CZ 3.45Å; Y65-F265 HydrophobicContact CD1-CZ 3.45Å; Y65-F265 VanDerWaalsContact CD1-CZ 3.45Å; Y65-F265 HydrophobicContact CD2-CD2 4.35Å; Y65-F265 HydrophobicContact CD2-CE1 4.26Å; Y65-F265 AromaticContact CD2-CE2 3.63Å; Y65-F265 HydrophobicContact CD2-CE2 3.63Å; Y65-F265 AromaticContact CD2-CZ 3.54Å; Y65-F265 HydrophobicContact CD2-CZ 3.54Å; Y65-F265 AromaticContact CE1-CE2 3.64Å; Y65-F265 HydrophobicContact CE1-CE2 3.64Å; Y65-F265 AromaticContact CE1-CZ 3.68Å; Y65-F265 HydrophobicContact CE1-CZ 3.68Å; Y65-F265 AromaticContact CE2-CD2 3.99Å; Y65-F265 HydrophobicContact CE2-CD2 3.99Å; Y65-F265 AromaticContact CE2-CE2 3.32Å; Y65-F265 HydrophobicContact CE2-CE2 3.32Å; Y65-F265 AromaticContact CE2-CZ 3.74Å; Y65-F265 HydrophobicContact CE2-CZ 3.74Å; Y65-F265 HydrophobicContact CG-CE1 4.13Å; Y65-F265 AromaticContact CG-CE2 3.9Å; Y65-F265 HydrophobicContact CG-CE2 3.9Å; Y65-F265 AromaticContact CG-CZ 3.38Å; Y65-F265 HydrophobicContact CG-CZ 3.38Å; Y65-F265 AromaticContact CZ-CE2 3.33Å; Y65-F265 AromaticContact CZ-CZ 3.82Å; Y65-H300 AromaticContact CE1-NE2 3.44Å; Y65-H300 WeakPolarHBondContact CE1-NE2 3.37Å; Y65-H300 AromaticContact CZ-NE2 3.58Å; Y65-H300 PolarHBondContact OH-CE1 3.39Å; Y65-H300 PolarHBondContact OH-NE2 3.29Å
66S96.9Very high95.9Very high2 Ų237.5 Ų37.51%0.01418%0.176CC..G310 helixtrans-98.710.9174.7-64.30000114.2C38 S48 N63 Q264C38-S66 WeakPolarHBondContact O-CA 3.33Å; C38-S66 VanDerWaalsContact O-CB 3.29Å; C38-S66 WeakPolarHBondContact O-CB 3.31Å; C38-S66 PolarHBondContact O-OG 3.23Å; S48-S66 WeakPolarHBondContact CB-O 3.41Å; S48-S66 PolarHBondContact OG-O 3.42Å; N63-S66 PolarHBondContact O-N 3.02Å; S66-Q264 PolarHBondContact OG-NE2 3.2Å
67H96.9Very high96Very high0 Ų039 Ų390%019%0.186CC..  trans-125.4108.7178.1-167.5-68000110L47 S48 G50 W59 I60 E69 N70L47-H67 PolarHBondContact O-CD2 2.78Å; L47-H67 VanDerWaalsContact O-CD2 3.28Å; S48-H67 PolarHBondContact O-CD2 3.38Å; G50-H67 PolarHBondContact O-CE1 3.46Å; G50-H67 PolarHBondContact O-NE2 3.01Å; W59-H67 HydrophobicContact CZ3-CB 4.36Å; I60-H67 VanDerWaalsContact CD1-CD2 3.48Å; I60-H67 WeakPolarHBondContact CD1-CD2 3.46Å; I60-H67 HydrophobicContact CG1-CB 4.44Å; I60-H67 HydrophobicContact CG2-CB 4.37Å; H67-E69 PolarHBondContact O-N 3.33Å; H67-N70 HydrophobicContact CB-CB 3.8Å; H67-N70 PolarHBondContact ND1-N 3.39Å; H67-N70 WeakPolarHBondContact O-CB 3.41Å; H67-N70 PolarHBondContact O-N 2.91Å
68K95.1Very high96.2Very high117 Ų11742.3 Ų42.351%0.50920%0.204SC..G310 helixtrans-59.3-47.7-169.7-69-177.9-179.7174.70113.1Y37 N70 L71Y37-K68 HydrophobicContact CD2-CG 3.67Å; Y37-K68 HydrophobicContact CE2-CD 4.39Å; Y37-K68 HydrophobicContact CE2-CG 3.43Å; Y37-K68 VanDerWaalsContact CE2-CG 3.43Å; Y37-K68 HydrophobicContact CG-CG 4.42Å; K68-N70 PolarHBondContact O-N 3.47Å; K68-N70 VanDerWaalsContact O-N 3.15Å; K68-L71 WeakPolarHBondContact O-CB 2.99Å; K68-L71 PolarHBondContact O-N 2.96Å
69E95.4Very high96.4Very high81 Ų8135 Ų3538%0.37917%0.172SC..G310 helixtrans-60.4-27.2177.7-67.4-62.512300112.3L52 H67 L71 L72 Q75 K302L52-E69 HydrophobicContact CD1-CB 3.65Å; H67-E69 PolarHBondContact O-N 3.33Å; E69-L71 PolarHBondContact O-N 3.48Å; E69-L72 PolarHBondContact O-N 3.47Å; E69-Q75 PolarHBondContact OE2-OE1 3.19Å; E69-K302 WeakPolarHBondContact O-CD 3.46Å; E69-K302 WeakPolarHBondContact O-CE 3.4Å; E69-K302 IonicContact OE2-NZ 3.27Å
70N97.8Very high96.6Very high0 Ų033.6 Ų33.60%017%0.167CC..G310 helixtrans-68.4-25.6179.8-169.848.6000112.3I60 P64 H67 K68 L72 T301 K302 N303I60-N70 HydrophobicContact CG2-CB 4.26Å; P64-N70 PolarHBondContact O-ND2 2.97Å; H67-N70 HydrophobicContact CB-CB 3.8Å; H67-N70 PolarHBondContact ND1-N 3.39Å; H67-N70 WeakPolarHBondContact O-CB 3.41Å; H67-N70 PolarHBondContact O-N 2.91Å; K68-N70 PolarHBondContact O-N 3.47Å; K68-N70 VanDerWaalsContact O-N 3.15Å; N70-L72 VanDerWaalsContact C-N 3.32Å; N70-T301 CarbonylContact O-C 3.35Å; N70-T301 VanDerWaalsContact O-CA 3.31Å; N70-T301 WeakPolarHBondContact O-CA 3.39Å; N70-T301 WeakPolarHBondContact O-CB 3.3Å; N70-K302 PolarHBondContact O-N 2.68Å; N70-K302 PolarHBondContact OD1-N 2.94Å; N70-N303 PolarHBondContact ND2-OD1 3.33Å; N70-N303 VanDerWaalsContact OD1-CB 3.28Å; N70-N303 WeakPolarHBondContact OD1-CB 3.46Å; N70-N303 PolarHBondContact OD1-N 3.18Å; N70-N303 PolarHBondContact OD1-OD1 3.04Å
71L97.6Very high96.7Very high0 Ų036 Ų360%018%0.178CC..G310 helixtrans-86.6-1.6-177.9-56.2-177.4000113.4Y33 Y37 Y65 K68 E69 T301Y33-L71 HydrophobicContact CD1-CD2 4.43Å; Y33-L71 PolarHBondContact N-O 2.87Å; Y37-L71 HydrophobicContact CD2-CD1 4.16Å; Y65-L71 HydrophobicContact CD1-CD2 3.81Å; Y65-L71 HydrophobicContact CE1-CD2 4.49Å; K68-L71 WeakPolarHBondContact O-CB 2.99Å; K68-L71 PolarHBondContact O-N 2.96Å; E69-L71 PolarHBondContact O-N 3.48Å; L71-T301 HydrophobicContact CD2-CG2 3.81Å
72L97.1Very high97Very high25 Ų2537.4 Ų37.413%0.13119%0.185CC..BIsolated β-bridgetrans-10458.1-176.6-59.1179.2000111N32 S34 E69 N70 C74 Q75 K302N32-L72 WeakPolarHBondContact OD1-CD2 3.43Å; S34-L72 WeakPolarHBondContact OG-CD2 3.5Å; E69-L72 PolarHBondContact O-N 3.47Å; N70-L72 VanDerWaalsContact C-N 3.32Å; L72-C74 PolarHBondContact O-N 3.19Å; L72-C74 VanDerWaalsContact O-N 3.17Å; L72-Q75 HydrophobicContact CB-CG 4.09Å; L72-Q75 WeakPolarHBondContact O-CB 3.43Å; L72-Q75 PolarHBondContact O-N 2.89Å; L72-K302 WeakPolarHBondContact O-CE 3.48Å
73L97.9Very high97.2Very high0 Ų035.9 Ų35.90%018%0.178CC..G310 helixtrans-56.5-31.9179-176.365.2000112H28 M31 Q75 E76 V80 L305H28-L73 HydrophobicContact CB-CD2 4.3Å; H28-L73 VanDerWaalsContact O-CD2 3.27Å; H28-L73 WeakPolarHBondContact O-CD2 3.48Å; M31-L73 PolarHBondContact O-N 2.93Å; M31-L73 VanDerWaalsContact O-N 3.15Å; L73-Q75 PolarHBondContact O-N 2.89Å; L73-E76 PolarHBondContact O-N 2.85Å; L73-V80 HydrophobicContact CD1-CG2 4.14Å; L73-L305 HydrophobicContact CD1-CD1 3.8Å; L73-L305 HydrophobicContact CD1-CD2 4.18Å; L73-L305 HydrophobicContact CD1-CG 4.16Å
74C96.8Very high97.4Very high47 Ų4734.6 Ų34.632%0.31817%0.171SC..G310 helixtrans-54.7-15.3173.964.80000115.6T30 M31 L72T30-C74 VanDerWaalsContact O-CB 3.24Å; T30-C74 WeakPolarHBondContact O-CB 3.23Å; M31-C74 PolarHBondContact O-N 3.08Å; L72-C74 PolarHBondContact O-N 3.19Å; L72-C74 VanDerWaalsContact O-N 3.17Å
75Q96.8Very high97.6Very high101 Ų10138.2 Ų38.247%0.47219%0.19SC..G310 helixtrans-90.7-3.8175.4-63.8176.9-18.500113.6E69 L72 L73E69-Q75 PolarHBondContact OE2-OE1 3.19Å; L72-Q75 HydrophobicContact CB-CG 4.09Å; L72-Q75 WeakPolarHBondContact O-CB 3.43Å; L72-Q75 PolarHBondContact O-N 2.89Å; L73-Q75 PolarHBondContact O-N 2.89Å
76E97.4Very high97.7Very high17 Ų1741 Ų418%0.07921%0.206CC..  trans-111.428.7-173.5-61.5-57.514800113.3L73 D78 A79 V80 K302 L305 K307 Y308L73-E76 PolarHBondContact O-N 2.85Å; E76-D78 PolarHBondContact O-N 3.39Å; E76-D78 VanDerWaalsContact O-N 3.11Å; E76-A79 HydrophobicContact CB-CB 4.25Å; E76-A79 WeakPolarHBondContact O-CB 3.35Å; E76-A79 PolarHBondContact O-N 3.2Å; E76-V80 WeakPolarHBondContact O-CG2 3.47Å; E76-V80 PolarHBondContact O-N 3.31Å; E76-K302 HydrophobicContact CG-CB 4.48Å; E76-K302 HydrophobicContact CG-CD 3.52Å; E76-K302 HydrophobicContact CG-CG 3.7Å; E76-K302 WeakPolarHBondContact OE1-CD 3.42Å; E76-K302 WeakPolarHBondContact OE1-CE 3.49Å; E76-K302 IonicContact OE1-NZ 3.68Å; E76-K302 PolarHBondContact OE1-NZ 2.88Å; E76-L305 HydrophobicContact CB-CD1 3.78Å; E76-L305 HydrophobicContact CG-CD1 4.2Å; E76-K307 IonicContact OE2-NZ 3.65Å; E76-K307 PolarHBondContact OE2-NZ 3.17Å; E76-Y308 HydrophobicContact CG-CE2 4.19Å; E76-Y308 PolarHBondContact OE1-OH 3.35Å; E76-Y308 PolarHBondContact OE2-OH 2.97Å; E76-Y308 VanDerWaalsContact OE2-OH 3.11Å
77T97.4Very high97.8Very high40 Ų4041 Ų4125%0.24521%0.205CC..Hα-helixtrans-52.7-38.1-175-490000113.7V80 K81 T109 L113T77-V80 PolarHBondContact O-N 3.3Å; T77-K81 WeakPolarHBondContact O-CB 3.44Å; T77-K81 PolarHBondContact O-N 3.42Å; T77-T109 HydrophobicContact CG2-CG2 3.47Å; T77-T109 VanDerWaalsContact CG2-CG2 3.47Å; T77-L113 HydrophobicContact CG2-CD2 4.16Å
78D98.4Very high97.9Very high103 Ų10345 Ų4555%0.55122%0.223SC*.Hα-helixtrans-69-39.8176.9-79.3-36.2000112.7E76 V80 K81 E82E76-D78 PolarHBondContact O-N 3.39Å; E76-D78 VanDerWaalsContact O-N 3.11Å; D78-V80 VanDerWaalsContact C-N 3.35Å; D78-K81 WeakPolarHBondContact O-CB 3.36Å; D78-K81 PolarHBondContact O-N 3.38Å; D78-K81 IonicContact OD1-NZ 2.74Å; D78-K81 PolarHBondContact OD1-NZ 3.01Å; D78-E82 WeakPolarHBondContact O-CG 3.22Å; D78-E82 PolarHBondContact O-N 3.37Å
79A98.4Very high98Very high4 Ų443.6 Ų43.63%0.03323%0.233CC..Hα-helixtrans-67.2-39.8175.400000110.9E76 K81 E82 E83 L305 K307E76-A79 HydrophobicContact CB-CB 4.25Å; E76-A79 WeakPolarHBondContact O-CB 3.35Å; E76-A79 PolarHBondContact O-N 3.2Å; A79-K81 VanDerWaalsContact C-N 3.34Å; A79-K81 PolarHBondContact O-N 3.3Å; A79-E82 PolarHBondContact O-N 2.85Å; A79-E83 WeakPolarHBondContact O-CB 3.42Å; A79-E83 WeakPolarHBondContact O-CG 3.38Å; A79-E83 PolarHBondContact O-N 3.43Å; A79-L305 HydrophobicContact CB-CD1 4.02Å; A79-K307 HydrophobicContact CB-CB 4.18Å; A79-K307 HydrophobicContact CB-CD 3.61Å
80V98.8Very high98.2Very high0 Ų041.4 Ų41.40%023%0.228CC..Hα-helixtrans-60.8-43.6173.7171.40000110.7L29 L73 E76 T77 D78 E82 E83 L84 L113 L305 Y313L29-V80 HydrophobicContact CB-CG1 4.09Å; L29-V80 HydrophobicContact CD2-CG1 3.79Å; L29-V80 HydrophobicContact CG-CG1 4.47Å; L73-V80 HydrophobicContact CD1-CG2 4.14Å; E76-V80 WeakPolarHBondContact O-CG2 3.47Å; E76-V80 PolarHBondContact O-N 3.31Å; T77-V80 PolarHBondContact O-N 3.3Å; D78-V80 VanDerWaalsContact C-N 3.35Å; V80-E82 PolarHBondContact O-N 3.46Å; V80-E83 WeakPolarHBondContact O-CB 3.26Å; V80-E83 PolarHBondContact O-N 2.94Å; V80-L84 HydrophobicContact CG1-CD1 4.41Å; V80-L84 HydrophobicContact CG1-CG 4.48Å; V80-L84 VanDerWaalsContact O-CG 3.31Å; V80-L84 WeakPolarHBondContact O-CG 3.48Å; V80-L84 PolarHBondContact O-N 2.94Å; V80-L113 HydrophobicContact CG1-CD1 3.99Å; V80-L305 HydrophobicContact CG2-CD1 4.36Å; V80-L305 HydrophobicContact CG2-CD2 4.36Å; V80-Y313 HydrophobicContact CG1-CE2 4.24Å
81K98.8Very high98.2Very high51 Ų5143.3 Ų43.322%0.22225%0.248CC..Hα-helixtrans-59.1-46.8174.8-178.9-177.771.3-154.10112.3T77 D78 A79 E83 L84 L85 L113 E116 T117T77-K81 WeakPolarHBondContact O-CB 3.44Å; T77-K81 PolarHBondContact O-N 3.42Å; D78-K81 WeakPolarHBondContact O-CB 3.36Å; D78-K81 PolarHBondContact O-N 3.38Å; D78-K81 IonicContact OD1-NZ 2.74Å; D78-K81 PolarHBondContact OD1-NZ 3.01Å; A79-K81 VanDerWaalsContact C-N 3.34Å; A79-K81 PolarHBondContact O-N 3.3Å; K81-E83 VanDerWaalsContact C-N 3.3Å; K81-E83 PolarHBondContact O-N 3.46Å; K81-L84 PolarHBondContact O-N 3.46Å; K81-L85 WeakPolarHBondContact O-CG 3.32Å; K81-L85 PolarHBondContact O-N 3.34Å; K81-L113 HydrophobicContact CB-CD2 3.69Å; K81-L113 HydrophobicContact CG-CD2 4.29Å; K81-E116 HydrophobicContact CD-CB 4.38Å; K81-E116 WeakPolarHBondContact CD-OE2 3.48Å; K81-E116 IonicContact NZ-OE2 2.95Å; K81-T117 HydrophobicContact CG-CG2 3.86Å
82E98.8Very high98.3Very high116 Ų11643.4 Ų43.454%0.54225%0.249SC..Hα-helixtrans-59.4-42.5176.3-72.4174.4-17500111.7D78 A79 V80 L85 L86D78-E82 WeakPolarHBondContact O-CG 3.22Å; D78-E82 PolarHBondContact O-N 3.37Å; A79-E82 PolarHBondContact O-N 2.85Å; V80-E82 PolarHBondContact O-N 3.46Å; E82-L85 WeakPolarHBondContact O-CB 3.49Å; E82-L85 PolarHBondContact O-N 2.85Å; E82-L86 WeakPolarHBondContact O-CG 3.46Å; E82-L86 PolarHBondContact O-N 2.66Å
83E98.8Very high98.3Very high5 Ų542.5 Ų42.52%0.02325%0.246CC..Hα-helixtrans-62.6-41.6175.9-73.4-84.8177.400113.2A79 V80 K81 L85 L86 F87 L305 M306 G312 Y313A79-E83 WeakPolarHBondContact O-CB 3.42Å; A79-E83 WeakPolarHBondContact O-CG 3.38Å; A79-E83 PolarHBondContact O-N 3.43Å; V80-E83 WeakPolarHBondContact O-CB 3.26Å; V80-E83 PolarHBondContact O-N 2.94Å; K81-E83 VanDerWaalsContact C-N 3.3Å; K81-E83 PolarHBondContact O-N 3.46Å; E83-L85 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 2.93Å; E83-L86 CarbonylContact O-C 3.55Å; E83-L86 WeakPolarHBondContact O-CB 3.47Å; E83-L86 PolarHBondContact O-N 3.18Å; E83-F87 WeakPolarHBondContact O-CB 3.23Å; E83-F87 PolarHBondContact O-N 2.79Å; E83-L305 HydrophobicContact CG-CD2 4.29Å; E83-M306 WeakPolarHBondContact OE1-CA 2.93Å; E83-M306 WeakPolarHBondContact OE1-CB 2.97Å; E83-M306 WeakPolarHBondContact OE1-CE 3.29Å; E83-M306 WeakPolarHBondContact OE1-CG 3.1Å; E83-M306 PolarHBondContact OE1-N 2.95Å; E83-M306 WeakPolarHBondContact OE2-CE 3.3Å; E83-G312 WeakPolarHBondContact OE2-CA 3.43Å; E83-Y313 HydrophobicContact CB-CD2 3.51Å; E83-Y313 HydrophobicContact CB-CE2 3.82Å; E83-Y313 HydrophobicContact CG-CD2 4.36Å; E83-Y313 HydrophobicContact CG-CE2 4.44Å; E83-Y313 PolarHBondContact OE2-N 3.29Å; E83-Y313 VanDerWaalsContact OE2-N 3.15Å
84L98.9Very high98.4Very high0 Ų042.5 Ų42.50%025%0.246CC..Hα-helixtrans-63.5-38.9175.1-70-179.7000111.9L29 V80 K81 L86 F87 K88 I95 L113 T117 V119 I121 Y313L29-L84 HydrophobicContact CD1-CD1 4.38Å; L29-L84 HydrophobicContact CD2-CD2 4.09Å; V80-L84 HydrophobicContact CG1-CD1 4.41Å; V80-L84 HydrophobicContact CG1-CG 4.48Å; V80-L84 VanDerWaalsContact O-CG 3.31Å; V80-L84 WeakPolarHBondContact O-CG 3.48Å; V80-L84 PolarHBondContact O-N 2.94Å; K81-L84 PolarHBondContact O-N 3.46Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-F87 PolarHBondContact O-N 2.84Å; L84-K88 WeakPolarHBondContact O-CB 3.21Å; L84-K88 PolarHBondContact O-N 3.41Å; L84-I95 HydrophobicContact CD2-CD1 3.37Å; L84-I95 HydrophobicContact CD2-CG1 4.48Å; L84-L113 HydrophobicContact CD1-CB 3.92Å; L84-L113 HydrophobicContact CD1-CD1 4.3Å; L84-L113 HydrophobicContact CD1-CD2 4.23Å; L84-L113 HydrophobicContact CD1-CG 4.38Å; L84-T117 HydrophobicContact CB-CG2 3.75Å; L84-T117 HydrophobicContact CD1-CG2 4.13Å; L84-V119 HydrophobicContact CB-CG2 4.3Å; L84-I121 HydrophobicContact CD1-CD1 4.26Å; L84-Y313 HydrophobicContact CD2-CD2 4.38Å
85L98.9Very high98.5Very high81 Ų8140.2 Ų40.242%0.42423%0.231SC..Hα-helixtrans-63.6-39.4172.7-68.6170.3000111.4K81 E82 E83 K88 A89 T117K81-L85 WeakPolarHBondContact O-CG 3.32Å; K81-L85 PolarHBondContact O-N 3.34Å; E82-L85 WeakPolarHBondContact O-CB 3.49Å; E82-L85 PolarHBondContact O-N 2.85Å; E83-L85 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 2.93Å; L85-K88 PolarHBondContact O-N 3.4Å; L85-A89 VanDerWaalsContact O-CB 3.31Å; L85-A89 WeakPolarHBondContact O-CB 3.38Å; L85-A89 PolarHBondContact O-N 2.83Å; L85-T117 HydrophobicContact CD2-CG2 4.26Å; L85-T117 HydrophobicContact CG-CG2 4.19Å
86L98.8Very high98.6Very high72 Ų7235.4 Ų35.438%0.37721%0.208SC..Hα-helixtrans-69.1-36.2176.3-68.9166.9000112.3E82 E83 L84 A90 M306E82-L86 WeakPolarHBondContact O-CG 3.46Å; E82-L86 PolarHBondContact O-N 2.66Å; E83-L86 CarbonylContact O-C 3.55Å; E83-L86 WeakPolarHBondContact O-CB 3.47Å; E83-L86 PolarHBondContact O-N 3.18Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L86-A90 WeakPolarHBondContact O-CB 3.2Å; L86-A90 PolarHBondContact O-N 3.12Å; L86-A90 VanDerWaalsContact O-N 3.1Å; L86-M306 HydrophobicContact CB-CE 4.02Å; L86-M306 HydrophobicContact CD1-CE 3.29Å; L86-M306 HydrophobicContact CD1-SD 4.39Å; L86-M306 HydrophobicContact CG-CE 4.25Å
87F98.9Very high98.7Very high0 Ų034.6 Ų34.60%020%0.204CC..Hα-helixtrans-63.4-48.9170.8171-113.7000111L24 E83 L84 A89 A90 G91 G92 I95 V119 L317L24-F87 HydrophobicContact CD1-CD2 4.01Å; L24-F87 HydrophobicContact CD1-CE2 3.61Å; L24-F87 HydrophobicContact CD1-CZ 3.96Å; L24-F87 HydrophobicContact CD2-CE2 4.37Å; L24-F87 HydrophobicContact CG-CE2 3.73Å; L24-F87 HydrophobicContact CG-CZ 3.86Å; E83-F87 WeakPolarHBondContact O-CB 3.23Å; E83-F87 PolarHBondContact O-N 2.79Å; L84-F87 PolarHBondContact O-N 2.84Å; F87-A89 VanDerWaalsContact C-N 3.34Å; F87-A89 PolarHBondContact O-N 3.35Å; F87-A90 WeakPolarHBondContact O-CA 3.47Å; F87-A90 WeakPolarHBondContact O-CB 3.17Å; F87-A90 PolarHBondContact O-N 2.67Å; F87-G91 PolarHBondContact O-N 3.08Å; F87-G92 VanDerWaalsContact CE1-CA 3.47Å; F87-G92 VanDerWaalsContact CE2-CA 3.45Å; F87-G92 WeakPolarHBondContact O-CA 3.24Å; F87-G92 PolarHBondContact O-N 3.01Å; F87-I95 HydrophobicContact CD1-CD1 4.11Å; F87-I95 HydrophobicContact CD1-CG1 4.22Å; F87-I95 HydrophobicContact CE1-CD1 4.15Å; F87-I95 HydrophobicContact CE1-CG1 3.75Å; F87-I95 HydrophobicContact CZ-CG1 4.27Å; F87-V119 HydrophobicContact CD1-CG1 4.17Å; F87-V119 HydrophobicContact CD1-CG2 4.14Å; F87-V119 HydrophobicContact CE1-CG1 4.06Å; F87-L317 HydrophobicContact CD2-CD1 3.92Å; F87-L317 HydrophobicContact CE2-CD1 3.66Å; F87-L317 HydrophobicContact CE2-CG 4.34Å
88K98.8Very high98.7Very high85 Ų8532.7 Ų32.737%0.3719%0.193SC..Hα-helixtrans-57.4-45.8175.9-172.661.5168.6-162.40111.9L84 L85 A90 G91 G92 G118 V119L84-K88 WeakPolarHBondContact O-CB 3.21Å; L84-K88 PolarHBondContact O-N 3.41Å; L85-K88 PolarHBondContact O-N 3.4Å; K88-A90 PolarHBondContact O-N 3.25Å; K88-G91 PolarHBondContact O-N 3.4Å; K88-G92 WeakPolarHBondContact CD-O 3.47Å; K88-G118 WeakPolarHBondContact CE-O 3.45Å; K88-G118 PolarHBondContact NZ-O 3.09Å; K88-V119 HydrophobicContact CB-CG2 3.92Å; K88-V119 HydrophobicContact CD-CG2 4.26Å; K88-V119 HydrophobicContact CG-CG2 4.48Å
89A98.6Very high98.7Very high87 Ų8727.8 Ų27.872%0.71917%0.166SC*.Hα-helixtrans-64.3-26.4177.200000113.2L85 F87 G91L85-A89 VanDerWaalsContact O-CB 3.31Å; L85-A89 WeakPolarHBondContact O-CB 3.38Å; L85-A89 PolarHBondContact O-N 2.83Å; F87-A89 VanDerWaalsContact C-N 3.34Å; F87-A89 PolarHBondContact O-N 3.35Å; A89-G91 PolarHBondContact O-N 2.95Å
90A98.5Very high98.6Very high35 Ų3527.6 Ų27.629%0.28917%0.165SC..THydrogen-bonded Turntrans-80.41.6173.100000113.6L86 F87 K88 L317 K318L86-A90 WeakPolarHBondContact O-CB 3.2Å; L86-A90 PolarHBondContact O-N 3.12Å; L86-A90 VanDerWaalsContact O-N 3.1Å; F87-A90 WeakPolarHBondContact O-CA 3.47Å; F87-A90 WeakPolarHBondContact O-CB 3.17Å; F87-A90 PolarHBondContact O-N 2.67Å; K88-A90 PolarHBondContact O-N 3.25Å; A90-L317 HydrophobicContact CB-CB 4.31Å; A90-L317 HydrophobicContact CB-CD1 4.22Å; A90-K318 HydrophobicContact CB-CG 4.24Å
91G98.3Very high98.5Very high41 Ų4129.8 Ų29.842%0.42318%0.178SC..THydrogen-bonded Turntrans97.31.8-176.900000114.3Y22 F87 K88 A89Y22-G91 WeakPolarHBondContact CD2-O 3.49Å; F87-G91 PolarHBondContact O-N 3.08Å; K88-G91 PolarHBondContact O-N 3.4Å; A89-G91 PolarHBondContact O-N 2.95Å
92G98.7Very high98.3Very high1 Ų129 Ų291%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-60137.2176.200000112.8F87 K88F87-G92 VanDerWaalsContact CE1-CA 3.47Å; F87-G92 VanDerWaalsContact CE2-CA 3.45Å; F87-G92 WeakPolarHBondContact O-CA 3.24Å; F87-G92 PolarHBondContact O-N 3.01Å; K88-G92 WeakPolarHBondContact CD-O 3.47Å
93G98.8Very high98.2Very high6 Ų623.5 Ų23.56%0.06216%0.159CC..EExtended strand (participates in β ladder)trans-114.6-47.3-177.100000113.5L20 Y22 H120L20-G93 CarbonylContact O-C 3.41Å; L20-G93 WeakPolarHBondContact O-CA 3.22Å; Y22-G93 PolarHBondContact O-N 3.17Å; G93-H120 PolarHBondContact O-N 2.96Å
94T98.9Very high97.9Very high0 Ų026.3 Ų26.30%018%0.179CC..EExtended strand (participates in β ladder)trans-135.8145.2-171.1-59.80000112.1L20 Y22 T23 L24 H120 I122L20-T94 WeakPolarHBondContact CA-OG1 3.3Å; L20-T94 WeakPolarHBondContact CB-OG1 3.41Å; L20-T94 HydrophobicContact CD2-CG2 4.19Å; L20-T94 WeakPolarHBondContact O-CB 3.48Å; L20-T94 PolarHBondContact O-N 2.89Å; L20-T94 PolarHBondContact O-OG1 3.42Å; Y22-T94 PolarHBondContact O-N 3Å; Y22-T94 VanDerWaalsContact O-N 3.12Å; T23-T94 WeakPolarHBondContact CA-O 3.44Å; T23-T94 HydrophobicContact CG2-CG2 3.95Å; L24-T94 PolarHBondContact N-O 3.48Å; T94-H120 CarbonylContact C-O 3.53Å; T94-H120 VanDerWaalsContact CA-O 3.3Å; T94-H120 WeakPolarHBondContact CA-O 3.48Å; T94-H120 HydrophobicContact CG2-CB 4.09Å; T94-H120 WeakPolarHBondContact OG1-CB 3.32Å; T94-I122 HydrophobicContact CG2-CD1 3.71Å; T94-I122 HydrophobicContact CG2-CG1 4.12Å
95I98.9Very high97.8Very high0 Ų027.4 Ų27.40%018%0.183CC..EExtended strand (participates in β ladder)trans-125.1134.1167.2-67.3-170.3000109.5L24 E27 L84 F87 V119 H120 I121 I122 Y313L24-I95 HydrophobicContact CB-CG1 4.31Å; L24-I95 HydrophobicContact CD1-CD1 4.18Å; L24-I95 HydrophobicContact CD1-CG1 4.26Å; E27-I95 HydrophobicContact CB-CG2 3.63Å; E27-I95 HydrophobicContact CG-CD1 4.47Å; E27-I95 HydrophobicContact CG-CG2 3.78Å; L84-I95 HydrophobicContact CD2-CD1 3.37Å; L84-I95 HydrophobicContact CD2-CG1 4.48Å; F87-I95 HydrophobicContact CD1-CD1 4.11Å; F87-I95 HydrophobicContact CD1-CG1 4.22Å; F87-I95 HydrophobicContact CE1-CD1 4.15Å; F87-I95 HydrophobicContact CE1-CG1 3.75Å; F87-I95 HydrophobicContact CZ-CG1 4.27Å; I95-V119 HydrophobicContact CG1-CG1 4.18Å; I95-H120 PolarHBondContact N-O 3.01Å; I95-I121 WeakPolarHBondContact O-CA 3.49Å; I95-I122 PolarHBondContact O-N 2.86Å; I95-Y313 HydrophobicContact CD1-CD1 4.41Å; I95-Y313 HydrophobicContact CD1-CG 4.37Å
96V98.9Very high97.7Very high0 Ų026.4 Ų26.40%018%0.179CC..EExtended strand (participates in β ladder)trans-93115.8167-174.60000108.3T23 L24 T25 E27 N98 I122 V166 W345 L346T23-V96 HydrophobicContact CG2-CG2 4.39Å; L24-V96 PolarHBondContact O-N 3.21Å; T25-V96 VanDerWaalsContact O-CB 3.3Å; T25-V96 WeakPolarHBondContact O-CB 3.39Å; E27-V96 PolarHBondContact N-O 3.06Å; V96-N98 PolarHBondContact O-ND2 3.33Å; V96-N98 VanDerWaalsContact O-ND2 3.12Å; V96-I122 HydrophobicContact CG2-CB 4.42Å; V96-I122 HydrophobicContact CG2-CD1 4.38Å; V96-V166 HydrophobicContact CG1-CG1 3.73Å; V96-W345 HydrophobicContact CG1-CH2 4.27Å; V96-W345 HydrophobicContact CG2-CH2 4.49Å; V96-W345 HydrophobicContact CG2-CZ3 4.1Å; V96-L346 HydrophobicContact CG2-CD1 3.93Å; V96-L346 HydrophobicContact CG2-CD2 3.88Å
97E98.7Very high97.7Very high0 Ų023 Ų230%016%0.161CC..EExtended strand (participates in β ladder)trans-95.1114.9-177.8-152.5-75.2156.500109.4E27 H28 L29 T99 L110 I121 I122 G124E27-E97 WeakPolarHBondContact O-CA 3.4Å; H28-E97 WeakPolarHBondContact CA-OE1 3.47Å; L29-E97 HydrophobicContact CB-CG 3.94Å; L29-E97 HydrophobicContact CD1-CG 3.98Å; L29-E97 HydrophobicContact CG-CG 3.7Å; L29-E97 PolarHBondContact N-OE1 3.35Å; E97-T99 WeakPolarHBondContact OE1-CB 3.36Å; E97-T99 PolarHBondContact OE1-OG1 3Å; E97-T99 VanDerWaalsContact OE2-CB 3.28Å; E97-T99 WeakPolarHBondContact OE2-CB 3.25Å; E97-T99 PolarHBondContact OE2-N 2.96Å; E97-L110 HydrophobicContact CB-CD1 4.23Å; E97-L110 HydrophobicContact CB-CD2 4.44Å; E97-L110 HydrophobicContact CG-CD1 4.14Å; E97-L110 HydrophobicContact CG-CD2 3.71Å; E97-I121 HydrophobicContact CB-CG2 4.08Å; E97-I122 PolarHBondContact N-O 3Å; E97-G124 PolarHBondContact O-N 2.84Å
98N98.3Very high97.7Very high0 Ų028 Ų280%019%0.187CC..  trans-10010.6-168.2-77.6-89.4000113.4T25 H26 E27 V96 T100 E169 I199T25-N98 PolarHBondContact O-ND2 3.3Å; H26-N98 WeakPolarHBondContact CA-ND2 3.34Å; E27-N98 PolarHBondContact O-N 2.77Å; V96-N98 PolarHBondContact O-ND2 3.33Å; V96-N98 VanDerWaalsContact O-ND2 3.12Å; N98-T100 PolarHBondContact O-N 2.8Å; N98-E169 HydrophobicContact CB-CB 4.1Å; N98-E169 HydrophobicContact CB-CG 4.25Å; N98-E169 WeakPolarHBondContact O-CG 3.21Å; N98-E169 PolarHBondContact O-N 2.83Å; N98-E169 PolarHBondContact OD1-N 2.84Å; N98-I199 WeakPolarHBondContact OD1-CG2 3.48Å
99T98.2Very high97.7Very high0 Ų025 Ų250%018%0.177CC..  trans-71.8117176.6-56.90000109.1H28 M31 E97 I103 R105H28-T99 PolarHBondContact ND1-N 3.04Å; H28-T99 PolarHBondContact ND1-OG1 3.18Å; M31-T99 HydrophobicContact CB-CG2 4.22Å; M31-T99 HydrophobicContact CG-CG2 3.89Å; E97-T99 WeakPolarHBondContact OE1-CB 3.36Å; E97-T99 PolarHBondContact OE1-OG1 3Å; E97-T99 VanDerWaalsContact OE2-CB 3.28Å; E97-T99 WeakPolarHBondContact OE2-CB 3.25Å; E97-T99 PolarHBondContact OE2-N 2.96Å; T99-I103 HydrophobicContact CG2-CB 4.31Å; T99-I103 HydrophobicContact CG2-CD1 4.14Å; T99-I103 HydrophobicContact CG2-CG1 3.81Å; T99-I103 VanDerWaalsContact CG2-O 3.29Å; T99-I103 WeakPolarHBondContact CG2-O 3.4Å; T99-R105 HydrophobicContact CG2-CB 4.09Å; T99-R105 VanDerWaalsContact O-CB 3.3Å; T99-R105 WeakPolarHBondContact O-CB 3.43Å; T99-R105 WeakPolarHBondContact O-CD 3.16Å; T99-R105 WeakPolarHBondContact O-CG 3.5Å
100T97.2Very high97.7Very high0 Ų020.9 Ų20.90%014%0.142CC..  trans-115.2-172.4-178.257.10000112.7N98 G102 I103 A125 G126 Y128 G168 E169N98-T100 PolarHBondContact O-N 2.8Å; T100-G102 PolarHBondContact O-N 2.84Å; T100-I103 WeakPolarHBondContact O-CG1 3.48Å; T100-I103 PolarHBondContact O-N 3.46Å; T100-A125 WeakPolarHBondContact CG2-O 3.41Å; T100-G126 WeakPolarHBondContact CB-O 3.19Å; T100-Y128 PolarHBondContact OG1-N 3.41Å; T100-G168 WeakPolarHBondContact CG2-O 3.47Å; T100-E169 PolarHBondContact OG1-O 3.29Å
101T96.4Very high97.7Very high45 Ų4522.6 Ų22.628%0.27614%0.143SC..BIsolated β-bridgetrans-57.4124.9173-59.60000110.1G126 F127 Y128T101-G126 WeakPolarHBondContact CB-O 3.42Å; T101-G126 PolarHBondContact N-O 3.19Å; T101-G126 PolarHBondContact OG1-O 3.38Å; T101-G126 VanDerWaalsContact OG1-O 3.14Å; T101-F127 HydrophobicContact CG2-CD1 3.73Å; T101-F127 HydrophobicContact CG2-CE1 3.95Å; T101-Y128 PolarHBondContact O-N 3.41Å
102G94.8Very high97.7Very high35 Ų3525.6 Ų25.636%0.36114%0.144SC..THydrogen-bonded Turntrans114-21.4-178.100000114.3T100T100-G102 PolarHBondContact O-N 2.84Å
103I96.1Very high97.7Very high0 Ų025.6 Ų25.60%014%0.144CC..THydrogen-bonded Turntrans-127.119.9-176.847.9169.4000113.8M31 N32 Y33 T99 T100 Y128M31-I103 HydrophobicContact CG-CB 3.95Å; M31-I103 HydrophobicContact CG-CD1 4.37Å; M31-I103 HydrophobicContact CG-CG1 4.5Å; M31-I103 VanDerWaalsContact CG-O 3.3Å; M31-I103 WeakPolarHBondContact CG-O 3.36Å; M31-I103 HydrophobicContact SD-CB 4.21Å; M31-I103 HydrophobicContact SD-CD1 3.81Å; M31-I103 HydrophobicContact SD-CG1 4.5Å; N32-I103 PolarHBondContact N-O 3.08Å; N32-I103 VanDerWaalsContact N-O 3.09Å; Y33-I103 HydrophobicContact CD2-CG2 4.21Å; Y33-I103 HydrophobicContact CE2-CG2 4.36Å; T99-I103 HydrophobicContact CG2-CB 4.31Å; T99-I103 HydrophobicContact CG2-CD1 4.14Å; T99-I103 HydrophobicContact CG2-CG1 3.81Å; T99-I103 VanDerWaalsContact CG2-O 3.29Å; T99-I103 WeakPolarHBondContact CG2-O 3.4Å; T100-I103 WeakPolarHBondContact O-CG1 3.48Å; T100-I103 PolarHBondContact O-N 3.46Å; I103-Y128 HydrophobicContact CD1-CD1 4.39Å; I103-Y128 HydrophobicContact CD1-CD2 4.25Å; I103-Y128 HydrophobicContact CD1-CG 4.13Å; I103-Y128 HydrophobicContact CG1-CG 4.38Å; I103-Y128 HydrophobicContact CG2-CD1 3.48Å; I103-Y128 VanDerWaalsContact CG2-CD1 3.48Å; I103-Y128 HydrophobicContact CG2-CE1 3.89Å; I103-Y128 HydrophobicContact CG2-CG 4.14Å
104S93.1Very high97.7Very high65 Ų6525.4 Ų25.446%0.45514%0.142SC..THydrogen-bonded Turntrans68.857.2170-52.80000115.7
105R95.4Very high97.7Very high22 Ų2231 Ų318%0.08317%0.168CC..  trans-57.9140.5169-169.3176.156.6-156.2-9.6111T99 M107 G124 E152 D158T99-R105 HydrophobicContact CG2-CB 4.09Å; T99-R105 VanDerWaalsContact O-CB 3.3Å; T99-R105 WeakPolarHBondContact O-CB 3.43Å; T99-R105 WeakPolarHBondContact O-CD 3.16Å; T99-R105 WeakPolarHBondContact O-CG 3.5Å; R105-M107 HydrophobicContact CG-SD 3.96Å; R105-G124 WeakPolarHBondContact CD-O 3.34Å; R105-G124 PolarHBondContact NH1-O 2.55Å; R105-E152 IonicContact CZ-OE1 3.26Å; R105-E152 IonicContact CZ-OE2 3.92Å; R105-E152 IonicContact NH1-OE1 3.98Å; R105-E152 IonicContact NH1-OE2 3.33Å; R105-E152 PolarHBondContact NH1-OE2 2.94Å; R105-E152 VanDerWaalsContact NH2-CD 3.28Å; R105-E152 IonicContact NH2-OE1 3.82Å; R105-E152 PolarHBondContact NH2-OE1 3.43Å; R105-E152 IonicContact NH2-OE2 3.9Å; R105-D158 IonicContact CZ-OD1 3.52Å; R105-D158 IonicContact CZ-OD2 3.39Å; R105-D158 IonicContact NE-OD1 2.92Å; R105-D158 IonicContact NE-OD2 2.82Å; R105-D158 PolarHBondContact NE-OD2 3.3Å; R105-D158 IonicContact NH2-OD1 3.85Å; R105-D158 PolarHBondContact NH2-OD1 3.17Å; R105-D158 IonicContact NH2-OD2 3.46Å; R105-D158 PolarHBondContact NH2-OD2 3.14Å
106D97.8Very high97.7Very high61 Ų6135.4 Ų35.433%0.32619%0.189SC..  trans-133.689.6176.4-178.5-7.9000111.7N108 T109 L110D106-N108 VanDerWaalsContact C-N 3.25Å; D106-N108 PolarHBondContact O-N 3.42Å; D106-N108 PolarHBondContact OD1-N 3.34Å; D106-N108 VanDerWaalsContact OD1-N 3.12Å; D106-T109 VanDerWaalsContact CG-OG1 3.25Å; D106-T109 PolarHBondContact O-N 3.27Å; D106-T109 PolarHBondContact OD1-N 3.19Å; D106-T109 VanDerWaalsContact OD1-N 3.09Å; D106-T109 WeakPolarHBondContact OD2-CB 3.29Å; D106-T109 PolarHBondContact OD2-OG1 3.09Å; D106-L110 WeakPolarHBondContact O-CG 3.22Å; D106-L110 PolarHBondContact O-N 2.91Å
107M98.4Very high97.7Very high1 Ų135.9 Ų35.91%0.00519%0.192CC..Hα-helixtrans-57.5-34.4-177.2-60.5-57.9-66.300113.8V11 R105 L110 K111 A123 A157 D158 T160 I162V11-M107 HydrophobicContact CG1-CE 4.35Å; R105-M107 HydrophobicContact CG-SD 3.96Å; M107-L110 HydrophobicContact SD-CD1 4.4Å; M107-K111 WeakPolarHBondContact O-CB 3.46Å; M107-K111 PolarHBondContact O-N 3.18Å; M107-A123 HydrophobicContact CE-CB 3.6Å; M107-A123 HydrophobicContact SD-CB 3.82Å; M107-A157 HydrophobicContact CE-CB 4.22Å; M107-A157 HydrophobicContact CG-CB 3.96Å; M107-A157 HydrophobicContact SD-CB 4.04Å; M107-D158 HydrophobicContact CG-CB 4.19Å; M107-D158 WeakPolarHBondContact CG-OD2 3.28Å; M107-T160 HydrophobicContact CB-CG2 4.14Å; M107-I162 HydrophobicContact CB-CB 4.19Å; M107-I162 HydrophobicContact CB-CD1 3.95Å; M107-I162 HydrophobicContact CE-CB 3.82Å; M107-I162 HydrophobicContact CE-CG2 3.41Å; M107-I162 VanDerWaalsContact CE-CG2 3.41Å; M107-I162 WeakPolarHBondContact CE-O 3.42Å; M107-I162 WeakPolarHBondContact O-CD1 3.35Å
108N98.6Very high97.7Very high103 Ų10337.7 Ų37.755%0.55121%0.211SC*.Hα-helixtrans-70.8-42.1-179.2-70.8-54000110.9D106 K111 K112D106-N108 VanDerWaalsContact C-N 3.25Å; D106-N108 PolarHBondContact O-N 3.42Å; D106-N108 PolarHBondContact OD1-N 3.34Å; D106-N108 VanDerWaalsContact OD1-N 3.12Å; N108-K111 PolarHBondContact O-N 2.69Å; N108-K112 WeakPolarHBondContact O-CB 3.5Å; N108-K112 PolarHBondContact O-N 3.38Å
109T98.6Very high97.7Very high24 Ų2437.8 Ų37.815%0.14721%0.211CC..Hα-helixtrans-66.1-41.5175.7-62.80000111.1T30 T77 D106 K111 K112 L113T30-T109 HydrophobicContact CG2-CG2 3.39Å; T77-T109 HydrophobicContact CG2-CG2 3.47Å; T77-T109 VanDerWaalsContact CG2-CG2 3.47Å; D106-T109 VanDerWaalsContact CG-OG1 3.25Å; D106-T109 PolarHBondContact O-N 3.27Å; D106-T109 PolarHBondContact OD1-N 3.19Å; D106-T109 VanDerWaalsContact OD1-N 3.09Å; D106-T109 WeakPolarHBondContact OD2-CB 3.29Å; D106-T109 PolarHBondContact OD2-OG1 3.09Å; T109-K111 PolarHBondContact O-N 3.05Å; T109-K112 PolarHBondContact O-N 3.3Å; T109-L113 HydrophobicContact CG2-CD1 4.11Å; T109-L113 HydrophobicContact CG2-CG 4.3Å; T109-L113 WeakPolarHBondContact O-CG 3.07Å; T109-L113 PolarHBondContact O-N 3.48Å
110L98.8Very high97.8Very high0 Ų039.9 Ų39.90%022%0.221CC..Hα-helixtrans-58.3-46174.9-62.8-172.2000112.1V11 L29 T30 E97 D106 M107 L113 A114 I121 A123V11-L110 HydrophobicContact CG1-CB 4.12Å; L29-L110 HydrophobicContact CB-CD2 3.86Å; L29-L110 HydrophobicContact CD1-CD2 4.02Å; L29-L110 HydrophobicContact CG-CD2 4.44Å; T30-L110 HydrophobicContact CG2-CD2 4.39Å; E97-L110 HydrophobicContact CB-CD1 4.23Å; E97-L110 HydrophobicContact CB-CD2 4.44Å; E97-L110 HydrophobicContact CG-CD1 4.14Å; E97-L110 HydrophobicContact CG-CD2 3.71Å; D106-L110 WeakPolarHBondContact O-CG 3.22Å; D106-L110 PolarHBondContact O-N 2.91Å; M107-L110 HydrophobicContact SD-CD1 4.4Å; L110-L113 PolarHBondContact O-N 3.03Å; L110-A114 PolarHBondContact O-N 3.45Å; L110-I121 HydrophobicContact CB-CG2 4.22Å; L110-I121 HydrophobicContact CD1-CG2 4.47Å; L110-I121 HydrophobicContact CD2-CG2 4.42Å; L110-I121 WeakPolarHBondContact O-CD1 3.5Å; L110-A123 HydrophobicContact CD1-CB 3.85Å
111K98.8Very high97.9Very high71 Ų7139.9 Ų39.931%0.30922%0.221SC..Hα-helixtrans-59.9-47.5176173.9171-179.5-176.90112.1L12 M107 N108 T109 L113 A114 E115 I162L12-K111 HydrophobicContact CD2-CG 3.75Å; M107-K111 WeakPolarHBondContact O-CB 3.46Å; M107-K111 PolarHBondContact O-N 3.18Å; N108-K111 PolarHBondContact O-N 2.69Å; T109-K111 PolarHBondContact O-N 3.05Å; K111-L113 VanDerWaalsContact C-N 3.34Å; K111-L113 PolarHBondContact O-N 3.24Å; K111-A114 PolarHBondContact O-N 2.86Å; K111-E115 WeakPolarHBondContact CE-OE1 3.38Å; K111-E115 WeakPolarHBondContact O-CG 3.46Å; K111-E115 PolarHBondContact O-N 2.84Å; K111-I162 HydrophobicContact CB-CD1 3.83Å; K111-I162 HydrophobicContact CD-CD1 3.76Å; K111-I162 HydrophobicContact CD-CG1 4.16Å; K111-I162 HydrophobicContact CG-CD1 4.43Å
112K98.8Very high98Very high103 Ų10337.7 Ų37.745%0.44821%0.208SC..Hα-helixtrans-59.1-44.9177.9-177.9-178174.8-174.50111.7N108 T109 A114 E115 E116N108-K112 WeakPolarHBondContact O-CB 3.5Å; N108-K112 PolarHBondContact O-N 3.38Å; T109-K112 PolarHBondContact O-N 3.3Å; K112-A114 VanDerWaalsContact C-N 3.33Å; K112-A114 PolarHBondContact O-N 3.16Å; K112-E115 PolarHBondContact O-N 2.96Å; K112-E116 WeakPolarHBondContact CE-OE1 3.48Å; K112-E116 HydrophobicContact CG-CG 4.32Å; K112-E116 IonicContact NZ-OE1 3.58Å; K112-E116 WeakPolarHBondContact O-CB 3.43Å; K112-E116 WeakPolarHBondContact O-CG 3.37Å; K112-E116 PolarHBondContact O-N 2.97Å
113L98.9Very high98.2Very high2 Ų236 Ų361%0.0119%0.19CC..Hα-helixtrans-61.3-41.4177-72.2173.1000111.7L29 T30 T77 V80 K81 L84 T109 L110 K111 T117 I121L29-L113 HydrophobicContact CB-CD1 4.18Å; L29-L113 HydrophobicContact CD1-CD1 4.34Å; T30-L113 HydrophobicContact CG2-CD1 4.43Å; T77-L113 HydrophobicContact CG2-CD2 4.16Å; V80-L113 HydrophobicContact CG1-CD1 3.99Å; K81-L113 HydrophobicContact CB-CD2 3.69Å; K81-L113 HydrophobicContact CG-CD2 4.29Å; L84-L113 HydrophobicContact CD1-CB 3.92Å; L84-L113 HydrophobicContact CD1-CD1 4.3Å; L84-L113 HydrophobicContact CD1-CD2 4.23Å; L84-L113 HydrophobicContact CD1-CG 4.38Å; T109-L113 HydrophobicContact CG2-CD1 4.11Å; T109-L113 HydrophobicContact CG2-CG 4.3Å; T109-L113 WeakPolarHBondContact O-CG 3.07Å; T109-L113 PolarHBondContact O-N 3.48Å; L110-L113 PolarHBondContact O-N 3.03Å; K111-L113 VanDerWaalsContact C-N 3.34Å; K111-L113 PolarHBondContact O-N 3.24Å; L113-T117 VanDerWaalsContact O-CB 3.31Å; L113-T117 WeakPolarHBondContact O-CB 3.2Å; L113-T117 WeakPolarHBondContact O-CG2 3.41Å; L113-T117 PolarHBondContact O-N 3.09Å; L113-T117 VanDerWaalsContact O-N 3.08Å; L113-T117 PolarHBondContact O-OG1 3.01Å; L113-I121 HydrophobicContact CB-CD1 3.74Å
114A98.9Very high98.3Very high2 Ų236 Ų362%0.01719%0.19CC..Hα-helixtrans-63.7-43.3176.900000111.9V11 L12 L110 K111 K112 G118 V119 I121V11-A114 HydrophobicContact CG2-CB 3.68Å; L12-A114 HydrophobicContact CD1-CB 3.8Å; L12-A114 HydrophobicContact CD2-CB 4.16Å; L12-A114 HydrophobicContact CG-CB 3.83Å; L110-A114 PolarHBondContact O-N 3.45Å; K111-A114 PolarHBondContact O-N 2.86Å; K112-A114 VanDerWaalsContact C-N 3.33Å; K112-A114 PolarHBondContact O-N 3.16Å; A114-G118 WeakPolarHBondContact O-CA 3.24Å; A114-G118 PolarHBondContact O-N 2.74Å; A114-V119 WeakPolarHBondContact CA-O 3.32Å; A114-I121 HydrophobicContact CB-CB 4.3Å; A114-I121 HydrophobicContact CB-CD1 3.99Å; A114-I121 HydrophobicContact CB-CG1 4.18Å
115E98.8Very high98.6Very high116 Ų11633 Ų3354%0.54217%0.169SC..Hα-helixtrans-64.3-44.5177.7-71.3170.9168.500112.3L12 K111 K112L12-E115 HydrophobicContact CD1-CG 4.19Å; L12-E115 HydrophobicContact CD2-CG 3.66Å; K111-E115 WeakPolarHBondContact CE-OE1 3.38Å; K111-E115 WeakPolarHBondContact O-CG 3.46Å; K111-E115 PolarHBondContact O-N 2.84Å; K112-E115 PolarHBondContact O-N 2.96Å
116E98.8Very high98.7Very high93 Ų9331.9 Ų31.944%0.43517%0.165SC..Hα-helixtrans-76.9-24.2-174.9-70.9-178.317500113.6K81 K112K81-E116 HydrophobicContact CD-CB 4.38Å; K81-E116 WeakPolarHBondContact CD-OE2 3.48Å; K81-E116 IonicContact NZ-OE2 2.95Å; K112-E116 WeakPolarHBondContact CE-OE1 3.48Å; K112-E116 HydrophobicContact CG-CG 4.32Å; K112-E116 IonicContact NZ-OE1 3.58Å; K112-E116 WeakPolarHBondContact O-CB 3.43Å; K112-E116 WeakPolarHBondContact O-CG 3.37Å; K112-E116 PolarHBondContact O-N 2.97Å
117T98.9Very high98.7Very high10 Ų1029.3 Ų29.36%0.06115%0.151CC..Hα-helixtrans-110.6-21.1-172.968.60000113.7K81 L84 L85 L113 V119K81-T117 HydrophobicContact CG-CG2 3.86Å; L84-T117 HydrophobicContact CB-CG2 3.75Å; L84-T117 HydrophobicContact CD1-CG2 4.13Å; L85-T117 HydrophobicContact CD2-CG2 4.26Å; L85-T117 HydrophobicContact CG-CG2 4.19Å; L113-T117 VanDerWaalsContact O-CB 3.31Å; L113-T117 WeakPolarHBondContact O-CB 3.2Å; L113-T117 WeakPolarHBondContact O-CG2 3.41Å; L113-T117 PolarHBondContact O-N 3.09Å; L113-T117 VanDerWaalsContact O-N 3.08Å; L113-T117 PolarHBondContact O-OG1 3.01Å; T117-V119 PolarHBondContact O-N 2.9Å; T117-V119 PolarHBondContact OG1-N 3.07Å
118G98.6Very high98.7Very high39 Ų3929.5 Ų29.540%0.40215%0.151SC..  trans68.114.5-173.300000114K88 A114K88-G118 WeakPolarHBondContact CE-O 3.45Å; K88-G118 PolarHBondContact NZ-O 3.09Å; A114-G118 WeakPolarHBondContact O-CA 3.24Å; A114-G118 PolarHBondContact O-N 2.74Å
119V98.9Very high98.7Very high1 Ų125.3 Ų25.31%0.00613%0.129CC..  trans-83.3132.5167.3177.90000108.2L84 F87 K88 I95 A114 T117 I121L84-V119 HydrophobicContact CB-CG2 4.3Å; F87-V119 HydrophobicContact CD1-CG1 4.17Å; F87-V119 HydrophobicContact CD1-CG2 4.14Å; F87-V119 HydrophobicContact CE1-CG1 4.06Å; K88-V119 HydrophobicContact CB-CG2 3.92Å; K88-V119 HydrophobicContact CD-CG2 4.26Å; K88-V119 HydrophobicContact CG-CG2 4.48Å; I95-V119 HydrophobicContact CG1-CG1 4.18Å; A114-V119 WeakPolarHBondContact CA-O 3.32Å; T117-V119 PolarHBondContact O-N 2.9Å; T117-V119 PolarHBondContact OG1-N 3.07Å; V119-I121 PolarHBondContact O-N 2.65Å
120H98.9Very high98.7Very high44 Ų4426 Ų2620%0.20413%0.132CC..EExtended strand (participates in β ladder)trans-70.3128171.2-65.4-57.7000109.4T10 Q19 G93 T94 I95T10-H120 HydrophobicContact CG2-CB 4.12Å; Q19-H120 PolarHBondContact O-CD2 3.01Å; Q19-H120 PolarHBondContact O-NE2 3.34Å; G93-H120 PolarHBondContact O-N 2.96Å; T94-H120 CarbonylContact C-O 3.53Å; T94-H120 VanDerWaalsContact CA-O 3.3Å; T94-H120 WeakPolarHBondContact CA-O 3.48Å; T94-H120 HydrophobicContact CG2-CB 4.09Å; T94-H120 WeakPolarHBondContact OG1-CB 3.32Å; I95-H120 PolarHBondContact N-O 3.01Å
121I98.9Very high98.6Very high0 Ų030.7 Ų30.70%017%0.165CC..EExtended strand (participates in β ladder)trans-114.5125.3176.1-63.2172.4000108.3T10 V11 L29 L84 I95 E97 L110 L113 A114 V119T10-I121 CarbonylContact C-O 3.18Å; T10-I121 VanDerWaalsContact CA-O 3.32Å; T10-I121 WeakPolarHBondContact CA-O 3.28Å; T10-I121 WeakPolarHBondContact CB-O 3.27Å; V11-I121 HydrophobicContact CG1-CG2 4.22Å; V11-I121 HydrophobicContact CG2-CB 3.92Å; V11-I121 HydrophobicContact CG2-CG2 4.37Å; V11-I121 PolarHBondContact N-O 3.12Å; L29-I121 HydrophobicContact CD1-CD1 3.62Å; L29-I121 HydrophobicContact CD1-CG1 4.1Å; L29-I121 HydrophobicContact CD1-CG2 4.2Å; L84-I121 HydrophobicContact CD1-CD1 4.26Å; I95-I121 WeakPolarHBondContact O-CA 3.49Å; E97-I121 HydrophobicContact CB-CG2 4.08Å; L110-I121 HydrophobicContact CB-CG2 4.22Å; L110-I121 HydrophobicContact CD1-CG2 4.47Å; L110-I121 HydrophobicContact CD2-CG2 4.42Å; L110-I121 WeakPolarHBondContact O-CD1 3.5Å; L113-I121 HydrophobicContact CB-CD1 3.74Å; A114-I121 HydrophobicContact CB-CB 4.3Å; A114-I121 HydrophobicContact CB-CD1 3.99Å; A114-I121 HydrophobicContact CB-CG1 4.18Å; V119-I121 PolarHBondContact O-N 2.65Å
122I98.9Very high98.5Very high0 Ų028.5 Ų28.50%016%0.158CC..EExtended strand (participates in β ladder)trans-107.7110.4176.1-62.2172.5000107.1V8 T10 L20 T94 I95 V96 E97 V166 L346V8-I122 HydrophobicContact CG1-CD1 3.45Å; V8-I122 VanDerWaalsContact CG1-CD1 3.45Å; V8-I122 HydrophobicContact CG1-CG1 4.23Å; T10-I122 HydrophobicContact CG2-CG1 4.26Å; L20-I122 HydrophobicContact CD2-CD1 4.46Å; T94-I122 HydrophobicContact CG2-CD1 3.71Å; T94-I122 HydrophobicContact CG2-CG1 4.12Å; I95-I122 PolarHBondContact O-N 2.86Å; V96-I122 HydrophobicContact CG2-CB 4.42Å; V96-I122 HydrophobicContact CG2-CD1 4.38Å; E97-I122 PolarHBondContact N-O 3Å; I122-V166 HydrophobicContact CG2-CB 4.43Å; I122-V166 HydrophobicContact CG2-CG1 4.29Å; I122-L346 HydrophobicContact CD1-CD1 3.69Å; I122-L346 HydrophobicContact CD1-CD2 4.01Å; I122-L346 HydrophobicContact CD1-CG 4.28Å
123A98.9Very high98.4Very high0 Ų024.4 Ų24.40%014%0.14CC..EExtended strand (participates in β ladder)trans-80.2142.4179.900000111.7V11 M107 L110 C164 G165 V166V11-A123 HydrophobicContact CG1-CB 3.77Å; M107-A123 HydrophobicContact CE-CB 3.6Å; M107-A123 HydrophobicContact SD-CB 3.82Å; L110-A123 HydrophobicContact CD1-CB 3.85Å; A123-C164 CarbonylContact O-C 3.58Å; A123-C164 VanDerWaalsContact O-CA 3.29Å; A123-C164 WeakPolarHBondContact O-CA 3.47Å; A123-C164 VanDerWaalsContact O-CB 3.3Å; A123-C164 WeakPolarHBondContact O-CB 3.23Å; A123-G165 PolarHBondContact O-N 3.29Å; A123-V166 PolarHBondContact O-N 2.75Å
124G98.5Very high98.3Very high0 Ų027 Ų270%016%0.159CC..EExtended strand (participates in β ladder)trans-87.4139.9177.500000114.1E97 R105 C164 V166 G168E97-G124 PolarHBondContact O-N 2.84Å; R105-G124 WeakPolarHBondContact CD-O 3.34Å; R105-G124 PolarHBondContact NH1-O 2.55Å; G124-C164 PolarHBondContact O-SG 3.39Å; G124-V166 CarbonylContact C-O 3.22Å; G124-V166 WeakPolarHBondContact CA-O 3.38Å; G124-G168 CarbonylContact C-O 3.51Å; G124-G168 WeakPolarHBondContact CA-O 3.48Å
125A98.6Very high98.3Very high0 Ų031.7 Ų31.70%019%0.191CC..EExtended strand (participates in β ladder)trans-100.9159.6176.400000112.7T100 E152 I153 C164 V166 V167 G168T100-A125 WeakPolarHBondContact CG2-O 3.41Å; A125-E152 WeakPolarHBondContact CA-OE2 3.17Å; A125-E152 HydrophobicContact CB-CB 3.97Å; A125-E152 WeakPolarHBondContact CB-OE2 3.22Å; A125-I153 HydrophobicContact CB-CD1 4.03Å; A125-I153 HydrophobicContact CB-CG1 4.32Å; A125-C164 HydrophobicContact CB-CB 3.7Å; A125-V166 WeakPolarHBondContact CB-O 3.38Å; A125-V166 PolarHBondContact N-O 3.3Å; A125-V167 HydrophobicContact CB-CG2 4.5Å; A125-G168 WeakPolarHBondContact O-CA 3.41Å; A125-G168 PolarHBondContact O-N 3.29Å
126G98.3Very high98.2Very high0 Ų032.3 Ų32.30%019%0.194CC..SBendtrans100.6-148.4170.200000114.6T100 T101 E152T100-G126 WeakPolarHBondContact CB-O 3.19Å; T101-G126 WeakPolarHBondContact CB-O 3.42Å; T101-G126 PolarHBondContact N-O 3.19Å; T101-G126 PolarHBondContact OG1-O 3.38Å; T101-G126 VanDerWaalsContact OG1-O 3.14Å; G126-E152 PolarHBondContact N-OE2 3.17Å
127F98.6Very high98.1Very high7 Ų728.2 Ų28.23%0.03118%0.175CC..BIsolated β-bridgetrans-134.1141-164.3-54.4-91000111.7T101 T137 L145 V148 I149 I170 G171 V183T101-F127 HydrophobicContact CG2-CD1 3.73Å; T101-F127 HydrophobicContact CG2-CE1 3.95Å; F127-T137 HydrophobicContact CD1-CG2 3.67Å; F127-T137 HydrophobicContact CE1-CG2 3.82Å; F127-T137 HydrophobicContact CG-CG2 4.36Å; F127-L145 HydrophobicContact CD2-CD2 4.09Å; F127-L145 HydrophobicContact CE1-CD2 4.34Å; F127-L145 HydrophobicContact CE2-CD2 3.55Å; F127-L145 HydrophobicContact CZ-CD2 3.68Å; F127-V148 HydrophobicContact CE2-CB 4.45Å; F127-V148 HydrophobicContact CE2-CG1 4.3Å; F127-V148 HydrophobicContact CZ-CB 4.11Å; F127-V148 HydrophobicContact CZ-CG1 3.81Å; F127-V148 HydrophobicContact CZ-CG2 4.46Å; F127-I149 HydrophobicContact CE2-CG1 4.34Å; F127-I170 WeakPolarHBondContact O-CA 3.23Å; F127-G171 PolarHBondContact O-N 3.3Å; F127-G171 VanDerWaalsContact O-N 3.07Å; F127-V183 HydrophobicContact CB-CG1 4.09Å; F127-V183 HydrophobicContact CB-CG2 4.27Å; F127-V183 HydrophobicContact CD2-CG1 4.12Å; F127-V183 HydrophobicContact CD2-CG2 4.27Å; F127-V183 HydrophobicContact CG-CG2 4.44Å
128Y98.4Very high98Very high4 Ų431.7 Ų31.72%0.01619%0.191CC..  trans-81.3-153.3176.5-161.6-130.2000112.1Y33 T100 T101 I103 T132 H133 E169 G171 H201Y33-Y128 AromaticContact CE2-CE1 3.86Å; Y33-Y128 HydrophobicContact CE2-CE1 3.86Å; Y33-Y128 PolarHBondContact OH-OH 2.57Å; T100-Y128 PolarHBondContact OG1-N 3.41Å; T101-Y128 PolarHBondContact O-N 3.41Å; I103-Y128 HydrophobicContact CD1-CD1 4.39Å; I103-Y128 HydrophobicContact CD1-CD2 4.25Å; I103-Y128 HydrophobicContact CD1-CG 4.13Å; I103-Y128 HydrophobicContact CG1-CG 4.38Å; I103-Y128 HydrophobicContact CG2-CD1 3.48Å; I103-Y128 VanDerWaalsContact CG2-CD1 3.48Å; I103-Y128 HydrophobicContact CG2-CE1 3.89Å; I103-Y128 HydrophobicContact CG2-CG 4.14Å; Y128-T132 HydrophobicContact CD1-CG2 4.03Å; Y128-H133 PolarHBondContact O-NE2 3.17Å; Y128-E169 HydrophobicContact CD2-CG 3.82Å; Y128-E169 HydrophobicContact CE2-CG 3.83Å; Y128-E169 WeakPolarHBondContact CE2-OE1 3.5Å; Y128-E169 WeakPolarHBondContact CE2-OE2 3.49Å; Y128-G171 VanDerWaalsContact C-CA 3.48Å; Y128-H201 HydrophobicContact CE2-CB 4.2Å; Y128-H201 AromaticContact CE2-CG 3.82Å; Y128-H201 AromaticContact CE2-ND1 3.69Å; Y128-H201 AromaticContact CZ-CE1 3.97Å; Y128-H201 AromaticContact CZ-ND1 4Å; Y128-H201 PolarHBondContact OH-CE1 3.31Å; Y128-H201 PolarHBondContact OH-ND1 3.47Å
129V98Very high98Very high15 Ų1533.5 Ų33.59%0.09120%0.202CC..  trans-74.3160.2-173.1-620000112.3S131 T132V129-S131 WeakPolarHBondContact CG2-OG 3.19Å; V129-S131 PolarHBondContact O-N 3.34Å; V129-S131 VanDerWaalsContact O-N 3.09Å; V129-T132 HydrophobicContact CG2-CG2 4.13Å; V129-T132 PolarHBondContact O-N 3.4Å; V129-T132 PolarHBondContact O-OG1 2.66Å
130D97.8Very high98Very high38 Ų3834.3 Ų34.320%0.20321%0.206CC..G310 helixtrans-55.8-34-173.6-17153.6000114.6T132 H133 Q138 T177 S179 E180D130-T132 PolarHBondContact O-N 3.49Å; D130-H133 WeakPolarHBondContact CA-ND1 3.35Å; D130-H133 WeakPolarHBondContact O-CB 3.19Å; D130-H133 PolarHBondContact O-N 3.46Å; D130-H133 IonicContact OD1-CG 3.31Å; D130-H133 IonicContact OD1-ND1 3.67Å; D130-H133 PolarHBondContact OD1-ND1 2.91Å; D130-H133 VanDerWaalsContact OD1-ND1 3.14Å; D130-Q138 PolarHBondContact OD1-NE2 2.58Å; D130-T177 HydrophobicContact CB-CG2 3.87Å; D130-T177 WeakPolarHBondContact CB-OG1 3.34Å; D130-S179 WeakPolarHBondContact OD1-CB 3.11Å; D130-E180 HydrophobicContact CB-CG 3.9Å; D130-E180 PolarHBondContact N-OE1 2.93Å
131S96.8Very high98Very high99 Ų9935.1 Ų35.169%0.69221%0.214SC*.G310 helixtrans-63-15.3177.761.50000113.8V129V129-S131 WeakPolarHBondContact CG2-OG 3.19Å; V129-S131 PolarHBondContact O-N 3.34Å; V129-S131 VanDerWaalsContact O-N 3.09Å
132T97.4Very high98Very high25 Ų2536 Ų3615%0.15322%0.22CC..G310 helixtrans-102.5-7.4175.971.60000113.4C35 Y128 V129 D130 S134C35-T132 HydrophobicContact CB-CG2 4.07Å; Y128-T132 HydrophobicContact CD1-CG2 4.03Å; V129-T132 HydrophobicContact CG2-CG2 4.13Å; V129-T132 PolarHBondContact O-N 3.4Å; V129-T132 PolarHBondContact O-OG1 2.66Å; D130-T132 PolarHBondContact O-N 3.49Å; T132-S134 PolarHBondContact O-N 3.43Å
133H97.6Very high98Very high17 Ų1742.6 Ų42.68%0.07925%0.25CS..  trans-70128.7177.9-67.3164.1000110.9Y128 D130 T137 Q138 S179Y128-H133 PolarHBondContact O-NE2 3.17Å; D130-H133 WeakPolarHBondContact CA-ND1 3.35Å; D130-H133 WeakPolarHBondContact O-CB 3.19Å; D130-H133 PolarHBondContact O-N 3.46Å; D130-H133 IonicContact OD1-CG 3.31Å; D130-H133 IonicContact OD1-ND1 3.67Å; D130-H133 PolarHBondContact OD1-ND1 2.91Å; D130-H133 VanDerWaalsContact OD1-ND1 3.14Å; H133-T137 HydrophobicContact CB-CG2 4.03Å; H133-Q138 HydrophobicContact CB-CG 3.73Å; H133-S179 PolarHBondContact ND1-OG 3.24Å; H133-S179 VanDerWaalsContact ND1-OG 3.08Å
134S96.8Very high98Very high57 Ų5747.3 Ų47.340%0.39927%0.272SS..  trans-65.2160.7168.9730000110.9T132 H136 T137 Q138T132-S134 PolarHBondContact O-N 3.43Å; S134-H136 PolarHBondContact O-N 2.74Å; S134-H136 VanDerWaalsContact O-N 3.17Å; S134-H136 PolarHBondContact OG-N 3.35Å; S134-T137 WeakPolarHBondContact O-CB 2.98Å; S134-T137 PolarHBondContact O-N 2.9Å; S134-T137 PolarHBondContact OG-N 3.04Å; S134-T137 PolarHBondContact OG-OG1 2.93Å; S134-Q138 WeakPolarHBondContact O-CG 3.42Å; S134-Q138 PolarHBondContact O-N 3Å
135S97.4Very high98Very high101 Ų10147.3 Ų47.371%0.70627%0.272SS*.Hα-helixtrans-56.9-30.9171.756.60000112.4A139S135-A139 WeakPolarHBondContact O-CB 3.42Å; S135-A139 PolarHBondContact O-N 2.92Å
136H97.1Very high98Very high128 Ų12847.7 Ų47.759%0.59328%0.275SS*.Hα-helixtrans-65.2-52.8173.1-176.465.8000111S134 Q138 A139 M140S134-H136 PolarHBondContact O-N 2.74Å; S134-H136 VanDerWaalsContact O-N 3.17Å; S134-H136 PolarHBondContact OG-N 3.35Å; H136-Q138 VanDerWaalsContact C-N 3.31Å; H136-Q138 PolarHBondContact O-N 2.85Å; H136-A139 WeakPolarHBondContact O-CA 3.06Å; H136-A139 WeakPolarHBondContact O-CB 3.05Å; H136-A139 PolarHBondContact O-N 2.95Å; H136-M140 WeakPolarHBondContact O-CG 3.35Å; H136-M140 PolarHBondContact O-N 3.35Å
137T97.3Very high98Very high8 Ų849.6 Ų49.65%0.04930%0.295CS..Hα-helixtrans-56-45177.6-52.10000111.6F127 H133 S134 A139 M140 L145F127-T137 HydrophobicContact CD1-CG2 3.67Å; F127-T137 HydrophobicContact CE1-CG2 3.82Å; F127-T137 HydrophobicContact CG-CG2 4.36Å; H133-T137 HydrophobicContact CB-CG2 4.03Å; S134-T137 WeakPolarHBondContact O-CB 2.98Å; S134-T137 PolarHBondContact O-N 2.9Å; S134-T137 PolarHBondContact OG-N 3.04Å; S134-T137 PolarHBondContact OG-OG1 2.93Å; T137-A139 PolarHBondContact O-N 3.15Å; T137-M140 WeakPolarHBondContact O-CB 3.44Å; T137-M140 PolarHBondContact O-N 3.28Å; T137-M140 VanDerWaalsContact O-N 3.11Å; T137-L145 HydrophobicContact CG2-CD2 4.23Å
138Q97.5Very high98Very high82 Ų8251.5 Ų51.538%0.38331%0.307SS..Hα-helixtrans-62.8-28.2177.2-70.3-178-21.500112.7D130 H133 S134 H136 R182D130-Q138 PolarHBondContact OD1-NE2 2.58Å; H133-Q138 HydrophobicContact CB-CG 3.73Å; S134-Q138 WeakPolarHBondContact O-CG 3.42Å; S134-Q138 PolarHBondContact O-N 3Å; H136-Q138 VanDerWaalsContact C-N 3.31Å; H136-Q138 PolarHBondContact O-N 2.85Å; Q138-R182 PolarHBondContact O-NH2 3.21Å
139A97.9Very high98Very high77 Ų7751.3 Ų51.364%0.63631%0.306SS*.Hα-helixtrans-85-12.5177.300000113.8S135 H136 T137S135-A139 WeakPolarHBondContact O-CB 3.42Å; S135-A139 PolarHBondContact O-N 2.92Å; H136-A139 WeakPolarHBondContact O-CA 3.06Å; H136-A139 WeakPolarHBondContact O-CB 3.05Å; H136-A139 PolarHBondContact O-N 2.95Å; T137-A139 PolarHBondContact O-N 3.15Å
140M98.6Very high98.1Very high18 Ų1851.7 Ų51.79%0.08931%0.308CS..  trans-68.3141.7-177-68.3174.987.900112.1H136 T137 Q144 L145 V148 R182H136-M140 WeakPolarHBondContact O-CG 3.35Å; H136-M140 PolarHBondContact O-N 3.35Å; T137-M140 WeakPolarHBondContact O-CB 3.44Å; T137-M140 PolarHBondContact O-N 3.28Å; T137-M140 VanDerWaalsContact O-N 3.11Å; M140-Q144 HydrophobicContact CB-CB 4.12Å; M140-Q144 HydrophobicContact CE-CB 3.72Å; M140-Q144 HydrophobicContact CG-CB 4.39Å; M140-L145 HydrophobicContact CB-CD1 4.44Å; M140-L145 HydrophobicContact CB-CD2 3.91Å; M140-L145 HydrophobicContact CB-CG 3.78Å; M140-L145 HydrophobicContact SD-CD2 3.92Å; M140-V148 HydrophobicContact CE-CG2 3.64Å; M140-R182 PolarHBondContact O-NE 3.06Å
141T98.8Very high98.1Very high61 Ų6153.9 Ų53.937%0.37432%0.32SS..  trans-75.1165.8169.379.40000110.8E143 Q144 L145T141-E143 WeakPolarHBondContact CB-OE2 3.49Å; T141-E143 PolarHBondContact O-N 2.96Å; T141-E143 PolarHBondContact OG1-N 2.92Å; T141-E143 PolarHBondContact OG1-OE2 3.28Å; T141-Q144 PolarHBondContact O-N 3.26Å; T141-Q144 PolarHBondContact OG1-N 3.29Å; T141-L145 WeakPolarHBondContact O-CG 3.44Å; T141-L145 PolarHBondContact O-N 3.44Å
142V98.8Very high98.2Very high20 Ų2049.8 Ų49.812%0.12129%0.29CS..Hα-helixtrans-57.3-40.2175.6173.80000111L145 T146 R182 Q185 A186V142-L145 PolarHBondContact O-N 3.5Å; V142-T146 WeakPolarHBondContact O-CB 3.38Å; V142-T146 PolarHBondContact O-N 3.07Å; V142-T146 PolarHBondContact O-OG1 3.12Å; V142-R182 HydrophobicContact CG2-CB 3.92Å; V142-R182 HydrophobicContact CG2-CG 3.87Å; V142-Q185 HydrophobicContact CG1-CB 3.9Å; V142-Q185 HydrophobicContact CG2-CB 4.13Å; V142-A186 HydrophobicContact CG1-CB 4.27Å
143E98.8Very high98.2Very high137 Ų13748.6 Ų48.664%0.6428%0.282SS*.Hα-helixtrans-65.7-41.5179.6-58.472.3-15700111.6T141 T146 G147T141-E143 WeakPolarHBondContact CB-OE2 3.49Å; T141-E143 PolarHBondContact O-N 2.96Å; T141-E143 PolarHBondContact OG1-N 2.92Å; T141-E143 PolarHBondContact OG1-OE2 3.28Å; E143-T146 PolarHBondContact O-N 3.33Å; E143-G147 PolarHBondContact O-N 2.88Å
144Q98.8Very high98.2Very high99 Ų9949.8 Ų49.846%0.46329%0.289SS..Hα-helixtrans-66.1-44.4177.3-68.5175.3-43.200111.3M140 T141 T146 G147 V148M140-Q144 HydrophobicContact CB-CB 4.12Å; M140-Q144 HydrophobicContact CE-CB 3.72Å; M140-Q144 HydrophobicContact CG-CB 4.39Å; T141-Q144 PolarHBondContact O-N 3.26Å; T141-Q144 PolarHBondContact OG1-N 3.29Å; Q144-T146 VanDerWaalsContact C-N 3.32Å; Q144-T146 PolarHBondContact O-N 3.16Å; Q144-G147 PolarHBondContact O-N 3.33Å; Q144-V148 PolarHBondContact O-N 2.86Å; Q144-V148 VanDerWaalsContact O-N 3.12Å
145L98.9Very high98.3Very high0 Ų049.9 Ų49.90%029%0.29CS..Hα-helixtrans-62.1-41175.3-69.4166.8000111.3F127 T137 M140 T141 V142 G147 V148 I149 R182 V183 A186F127-L145 HydrophobicContact CD2-CD2 4.09Å; F127-L145 HydrophobicContact CE1-CD2 4.34Å; F127-L145 HydrophobicContact CE2-CD2 3.55Å; F127-L145 HydrophobicContact CZ-CD2 3.68Å; T137-L145 HydrophobicContact CG2-CD2 4.23Å; M140-L145 HydrophobicContact CB-CD1 4.44Å; M140-L145 HydrophobicContact CB-CD2 3.91Å; M140-L145 HydrophobicContact CB-CG 3.78Å; M140-L145 HydrophobicContact SD-CD2 3.92Å; T141-L145 WeakPolarHBondContact O-CG 3.44Å; T141-L145 PolarHBondContact O-N 3.44Å; V142-L145 PolarHBondContact O-N 3.5Å; L145-G147 VanDerWaalsContact C-N 3.31Å; L145-G147 PolarHBondContact O-N 3.03Å; L145-V148 PolarHBondContact O-N 3.43Å; L145-I149 WeakPolarHBondContact O-CG1 3.36Å; L145-I149 PolarHBondContact O-N 3.45Å; L145-I149 VanDerWaalsContact O-N 3.13Å; L145-R182 HydrophobicContact CD1-CB 3.84Å; L145-V183 HydrophobicContact CD1-CG2 3.97Å; L145-V183 HydrophobicContact CD2-CG2 4.32Å; L145-A186 HydrophobicContact CB-CB 3.52Å
146T98.9Very high98.3Very high9 Ų945.4 Ų45.46%0.05526%0.26CS..Hα-helixtrans-60.8-44.4175.6-55.30000110.3V142 E143 Q144 V148 I149 V150 A186 H189 A190V142-T146 WeakPolarHBondContact O-CB 3.38Å; V142-T146 PolarHBondContact O-N 3.07Å; V142-T146 PolarHBondContact O-OG1 3.12Å; E143-T146 PolarHBondContact O-N 3.33Å; Q144-T146 VanDerWaalsContact C-N 3.32Å; Q144-T146 PolarHBondContact O-N 3.16Å; T146-V148 VanDerWaalsContact C-N 3.33Å; T146-V148 PolarHBondContact O-N 2.76Å; T146-I149 PolarHBondContact O-N 3.21Å; T146-V150 HydrophobicContact CG2-CG2 4.17Å; T146-V150 WeakPolarHBondContact O-CB 3.31Å; T146-V150 VanDerWaalsContact O-CG2 3.29Å; T146-V150 WeakPolarHBondContact O-CG2 3.32Å; T146-V150 PolarHBondContact O-N 3.02Å; T146-A186 VanDerWaalsContact OG1-CA 3.3Å; T146-A186 WeakPolarHBondContact OG1-CA 3.35Å; T146-A186 WeakPolarHBondContact OG1-CB 3.4Å; T146-H189 HydrophobicContact CG2-CB 3.89Å; T146-A190 HydrophobicContact CG2-CB 4.41Å
147G98.7Very high98.3Very high40 Ų4039.4 Ų39.441%0.41223%0.232SC..Hα-helixtrans-57.4-43177.100000112.9E143 Q144 L145 D151E143-G147 PolarHBondContact O-N 2.88Å; Q144-G147 PolarHBondContact O-N 3.33Å; L145-G147 VanDerWaalsContact C-N 3.31Å; L145-G147 PolarHBondContact O-N 3.03Å; G147-D151 WeakPolarHBondContact O-CB 3.49Å; G147-D151 PolarHBondContact O-N 3.02Å
148V98.6Very high98.2Very high47 Ų4742.9 Ų42.929%0.28525%0.25SS..Hα-helixtrans-61.8-51.7175.5175.30000111.2F127 M140 Q144 L145 T146 V150 D151 E152F127-V148 HydrophobicContact CE2-CB 4.45Å; F127-V148 HydrophobicContact CE2-CG1 4.3Å; F127-V148 HydrophobicContact CZ-CB 4.11Å; F127-V148 HydrophobicContact CZ-CG1 3.81Å; F127-V148 HydrophobicContact CZ-CG2 4.46Å; M140-V148 HydrophobicContact CE-CG2 3.64Å; Q144-V148 PolarHBondContact O-N 2.86Å; Q144-V148 VanDerWaalsContact O-N 3.12Å; L145-V148 PolarHBondContact O-N 3.43Å; T146-V148 VanDerWaalsContact C-N 3.33Å; T146-V148 PolarHBondContact O-N 2.76Å; V148-V150 VanDerWaalsContact C-N 3.3Å; V148-V150 PolarHBondContact O-N 2.65Å; V148-D151 PolarHBondContact O-N 3.08Å; V148-D151 VanDerWaalsContact O-N 3.17Å; V148-E152 HydrophobicContact CG1-CG 4.42Å; V148-E152 WeakPolarHBondContact O-CG 3.44Å; V148-E152 PolarHBondContact O-N 3.01Å
149I98.8Very high98.1Very high0 Ų043.3 Ų43.30%028%0.277CS..Hα-helixtrans-59.5-43.7-178.5-64.9168.4000110.8F127 L145 T146 E152 I153 V167 A186 A190F127-I149 HydrophobicContact CE2-CG1 4.34Å; L145-I149 WeakPolarHBondContact O-CG1 3.36Å; L145-I149 PolarHBondContact O-N 3.45Å; L145-I149 VanDerWaalsContact O-N 3.13Å; T146-I149 PolarHBondContact O-N 3.21Å; I149-E152 PolarHBondContact O-N 3.3Å; I149-I153 WeakPolarHBondContact O-CG1 3.46Å; I149-I153 PolarHBondContact O-N 2.65Å; I149-V167 HydrophobicContact CD1-CG1 4.39Å; I149-V167 HydrophobicContact CG2-CB 4.27Å; I149-V167 HydrophobicContact CG2-CG1 3.7Å; I149-V167 HydrophobicContact CG2-CG2 3.52Å; I149-A186 HydrophobicContact CD1-CB 4.23Å; I149-A190 HydrophobicContact CB-CB 4.13Å; I149-A190 HydrophobicContact CG2-CB 3.56Å
150V98.6Very high98.1Very high23 Ų2341.1 Ų41.114%0.13926%0.256CS..Hα-helixtrans-64.3-41.3178.71700000111.2T146 V148 I153 L154 A190 L194T146-V150 HydrophobicContact CG2-CG2 4.17Å; T146-V150 WeakPolarHBondContact O-CB 3.31Å; T146-V150 VanDerWaalsContact O-CG2 3.29Å; T146-V150 WeakPolarHBondContact O-CG2 3.32Å; T146-V150 PolarHBondContact O-N 3.02Å; V148-V150 VanDerWaalsContact C-N 3.3Å; V148-V150 PolarHBondContact O-N 2.65Å; V150-I153 PolarHBondContact O-N 2.99Å; V150-L154 HydrophobicContact CG1-CD1 3.65Å; V150-L154 HydrophobicContact CG1-CG 4.14Å; V150-L154 WeakPolarHBondContact O-CB 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.25Å; V150-L154 PolarHBondContact O-N 2.91Å; V150-A190 HydrophobicContact CG2-CB 4.04Å; V150-L194 HydrophobicContact CB-CD1 4.46Å; V150-L194 HydrophobicContact CG1-CD1 4.45Å; V150-L194 HydrophobicContact CG2-CD1 4.09Å
151D98.4Very high98Very high84 Ų8446.5 Ų46.545%0.44929%0.285SS..Hα-helixtrans-67.1-39.3179.3-161.854.2000112.2G147 V148 I153 L154 S155 G156G147-D151 WeakPolarHBondContact O-CB 3.49Å; G147-D151 PolarHBondContact O-N 3.02Å; V148-D151 PolarHBondContact O-N 3.08Å; V148-D151 VanDerWaalsContact O-N 3.17Å; D151-I153 PolarHBondContact O-N 3.49Å; D151-L154 PolarHBondContact O-N 2.88Å; D151-S155 WeakPolarHBondContact O-CA 3.39Å; D151-S155 WeakPolarHBondContact O-CB 3.32Å; D151-S155 PolarHBondContact O-N 3.47Å; D151-S155 WeakPolarHBondContact OD1-CB 3.49Å; D151-S155 PolarHBondContact OD1-OG 3.29Å; D151-G156 PolarHBondContact O-N 2.75Å
152E98.6Very high98Very high12 Ų1244 Ų446%0.05627%0.269CS..Hα-helixtrans-60.1-33.3175-71.7-174.316800112.8R105 A125 G126 V148 I149 G156 A157 C164R105-E152 IonicContact CZ-OE1 3.26Å; R105-E152 IonicContact CZ-OE2 3.92Å; R105-E152 IonicContact NH1-OE1 3.98Å; R105-E152 IonicContact NH1-OE2 3.33Å; R105-E152 PolarHBondContact NH1-OE2 2.94Å; R105-E152 VanDerWaalsContact NH2-CD 3.28Å; R105-E152 IonicContact NH2-OE1 3.82Å; R105-E152 PolarHBondContact NH2-OE1 3.43Å; R105-E152 IonicContact NH2-OE2 3.9Å; A125-E152 WeakPolarHBondContact CA-OE2 3.17Å; A125-E152 HydrophobicContact CB-CB 3.97Å; A125-E152 WeakPolarHBondContact CB-OE2 3.22Å; G126-E152 PolarHBondContact N-OE2 3.17Å; V148-E152 HydrophobicContact CG1-CG 4.42Å; V148-E152 WeakPolarHBondContact O-CG 3.44Å; V148-E152 PolarHBondContact O-N 3.01Å; I149-E152 PolarHBondContact O-N 3.3Å; E152-G156 WeakPolarHBondContact CA-O 3.49Å; E152-A157 HydrophobicContact CB-CB 4.18Å; E152-A157 HydrophobicContact CG-CB 3.94Å; E152-C164 PolarHBondContact O-N 3.24Å
153I98.4Very high98Very high0 Ų046 Ų460%028%0.276CS..Hα-helixtrans-82.8-40.9177.8-61.2-70.9000111.7L4 A125 I149 V150 D151 K163 C164 V167 L194 F348L4-I153 HydrophobicContact CD1-CG2 4.05Å; A125-I153 HydrophobicContact CB-CD1 4.03Å; A125-I153 HydrophobicContact CB-CG1 4.32Å; I149-I153 WeakPolarHBondContact O-CG1 3.46Å; I149-I153 PolarHBondContact O-N 2.65Å; V150-I153 PolarHBondContact O-N 2.99Å; D151-I153 PolarHBondContact O-N 3.49Å; I153-K163 WeakPolarHBondContact O-CD 3.21Å; I153-C164 HydrophobicContact CD1-CB 3.78Å; I153-C164 WeakPolarHBondContact CD1-O 3.28Å; I153-V167 HydrophobicContact CD1-CG2 4.23Å; I153-V167 HydrophobicContact CG1-CG2 4.31Å; I153-L194 HydrophobicContact CB-CD1 3.95Å; I153-L194 HydrophobicContact CG1-CD1 4.26Å; I153-L194 HydrophobicContact CG2-CD1 3.85Å; I153-F348 HydrophobicContact CG2-CE1 3.82Å; I153-F348 HydrophobicContact CG2-CZ 3.99Å
154L97.8Very high98Very high42 Ų4239.5 Ų39.522%0.2225%0.246CC..Hα-helixtrans-93.3-33.1-170.9-66.6-172.4000114.3L4 V150 D151 K163 L194L4-L154 HydrophobicContact CD1-CD2 3.68Å; V150-L154 HydrophobicContact CG1-CD1 3.65Å; V150-L154 HydrophobicContact CG1-CG 4.14Å; V150-L154 WeakPolarHBondContact O-CB 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.25Å; V150-L154 PolarHBondContact O-N 2.91Å; D151-L154 PolarHBondContact O-N 2.88Å; L154-K163 WeakPolarHBondContact O-CE 3.23Å; L154-K163 PolarHBondContact O-NZ 3.09Å; L154-L194 HydrophobicContact CD1-CD2 4.03Å; L154-L194 HydrophobicContact CD2-CD2 4.04Å; L154-L194 HydrophobicContact CG-CD2 4.17Å
155S97.3Very high98Very high59 Ų5934.8 Ų34.841%0.41322%0.224SC..THydrogen-bonded Turntrans-113.7-49.5-170.6-54.30000111.5D151D151-S155 WeakPolarHBondContact O-CA 3.39Å; D151-S155 WeakPolarHBondContact O-CB 3.32Å; D151-S155 PolarHBondContact O-N 3.47Å; D151-S155 WeakPolarHBondContact OD1-CB 3.49Å; D151-S155 PolarHBondContact OD1-OG 3.29Å
156G97.4Very high98Very high8 Ų834.8 Ų34.88%0.08222%0.224CC..  trans148.8163.3-179.500000112.2D151 E152 I162D151-G156 PolarHBondContact O-N 2.75Å; E152-G156 WeakPolarHBondContact CA-O 3.49Å; G156-I162 CarbonylContact C-O 3.41Å; G156-I162 WeakPolarHBondContact CA-O 3.25Å
157A97.6Very high98Very high1 Ų134.3 Ų34.31%0.00822%0.221CC..SBendtrans-112.2155.6-17700000112.5M107 E152 G159 T160 I162M107-A157 HydrophobicContact CE-CB 4.22Å; M107-A157 HydrophobicContact CG-CB 3.96Å; M107-A157 HydrophobicContact SD-CB 4.04Å; E152-A157 HydrophobicContact CB-CB 4.18Å; E152-A157 HydrophobicContact CG-CB 3.94Å; A157-G159 VanDerWaalsContact C-N 3.29Å; A157-G159 PolarHBondContact O-N 3.24Å; A157-T160 WeakPolarHBondContact O-CB 3.5Å; A157-T160 PolarHBondContact O-N 3.28Å; A157-T160 PolarHBondContact O-OG1 3.15Å; A157-I162 PolarHBondContact N-O 3.42Å
158D94.7Very high98Very high81 Ų8132.4 Ų32.443%0.43320%0.201SC..THydrogen-bonded Turntrans5437.9170.5-52.3-32.7000114.8R105 M107 T160R105-D158 IonicContact CZ-OD1 3.52Å; R105-D158 IonicContact CZ-OD2 3.39Å; R105-D158 IonicContact NE-OD1 2.92Å; R105-D158 IonicContact NE-OD2 2.82Å; R105-D158 PolarHBondContact NE-OD2 3.3Å; R105-D158 IonicContact NH2-OD1 3.85Å; R105-D158 PolarHBondContact NH2-OD1 3.17Å; R105-D158 IonicContact NH2-OD2 3.46Å; R105-D158 PolarHBondContact NH2-OD2 3.14Å; M107-D158 HydrophobicContact CG-CB 4.19Å; M107-D158 WeakPolarHBondContact CG-OD2 3.28Å; D158-T160 PolarHBondContact O-N 3.11Å
159G95.4Very high97.9Very high91 Ų9130.3 Ų30.394%0.93819%0.188SC*.THydrogen-bonded Turntrans73.311-178.800000114.3A157A157-G159 VanDerWaalsContact C-N 3.29Å; A157-G159 PolarHBondContact O-N 3.24Å
160T98Very high97.9Very high32 Ų3230.3 Ų30.320%0.19619%0.188CC..SBendtrans-103.2172.8174.278.70000111.1M107 A157 D158 I162M107-T160 HydrophobicContact CB-CG2 4.14Å; A157-T160 WeakPolarHBondContact O-CB 3.5Å; A157-T160 PolarHBondContact O-N 3.28Å; A157-T160 PolarHBondContact O-OG1 3.15Å; D158-T160 PolarHBondContact O-N 3.11Å; T160-I162 VanDerWaalsContact C-N 3.33Å; T160-I162 WeakPolarHBondContact OG1-CB 3.34Å; T160-I162 PolarHBondContact OG1-N 3.4Å; T160-I162 VanDerWaalsContact OG1-N 3.1Å
161N97.8Very high97.9Very high130 Ų13029.2 Ų29.270%0.69518%0.182SC*.SBendtrans-95.113.1168.467-14.2000112.8
162I98.6Very high98Very high8 Ų825.2 Ų25.24%0.04116%0.16CC..PPolyproline II helixtrans-88.2125.2-178.6-53.3167.3000107.4V11 M107 K111 G156 A157 T160V11-I162 HydrophobicContact CB-CG2 3.76Å; V11-I162 HydrophobicContact CG1-CG2 4.07Å; M107-I162 HydrophobicContact CB-CB 4.19Å; M107-I162 HydrophobicContact CB-CD1 3.95Å; M107-I162 HydrophobicContact CE-CB 3.82Å; M107-I162 HydrophobicContact CE-CG2 3.41Å; M107-I162 VanDerWaalsContact CE-CG2 3.41Å; M107-I162 WeakPolarHBondContact CE-O 3.42Å; M107-I162 WeakPolarHBondContact O-CD1 3.35Å; K111-I162 HydrophobicContact CB-CD1 3.83Å; K111-I162 HydrophobicContact CD-CD1 3.76Å; K111-I162 HydrophobicContact CD-CG1 4.16Å; K111-I162 HydrophobicContact CG-CD1 4.43Å; G156-I162 CarbonylContact C-O 3.41Å; G156-I162 WeakPolarHBondContact CA-O 3.25Å; A157-I162 PolarHBondContact N-O 3.42Å; T160-I162 VanDerWaalsContact C-N 3.33Å; T160-I162 WeakPolarHBondContact OG1-CB 3.34Å; T160-I162 PolarHBondContact OG1-N 3.4Å; T160-I162 VanDerWaalsContact OG1-N 3.1Å
163K98.6Very high97.9Very high63 Ų6326.3 Ų26.327%0.27417%0.169SC..PPolyproline II helixtrans-95.6145-172.2-59.2179.7-170.9-165.30111.5Q9 I153 L154Q9-K163 HydrophobicContact CG-CB 3.99Å; I153-K163 WeakPolarHBondContact O-CD 3.21Å; L154-K163 WeakPolarHBondContact O-CE 3.23Å; L154-K163 PolarHBondContact O-NZ 3.09Å
164C98.8Very high97.8Very high0 Ų030.8 Ų30.80%019%0.186CC..PPolyproline II helixtrans-76.1153.6168.7-63.90000110.4Q9 A123 G124 A125 E152 I153Q9-C164 VanDerWaalsContact CG-O 3.31Å; Q9-C164 WeakPolarHBondContact CG-O 3.35Å; A123-C164 CarbonylContact O-C 3.58Å; A123-C164 VanDerWaalsContact O-CA 3.29Å; A123-C164 WeakPolarHBondContact O-CA 3.47Å; A123-C164 VanDerWaalsContact O-CB 3.3Å; A123-C164 WeakPolarHBondContact O-CB 3.23Å; G124-C164 PolarHBondContact O-SG 3.39Å; A125-C164 HydrophobicContact CB-CB 3.7Å; E152-C164 PolarHBondContact O-N 3.24Å; I153-C164 HydrophobicContact CD1-CB 3.78Å; I153-C164 WeakPolarHBondContact CD1-O 3.28Å
165G98.6Very high97.8Very high0 Ų033.5 Ų33.50%021%0.207CC..SBendtrans-119.5-2.4178.100000114.7Q9 A123 P197 F348Q9-G165 WeakPolarHBondContact O-CA 3.35Å; A123-G165 PolarHBondContact O-N 3.29Å; G165-P197 WeakPolarHBondContact O-CG 3.31Å; G165-F348 VanDerWaalsContact O-CE2 3.24Å; G165-F348 WeakPolarHBondContact O-CE2 3.49Å
166V98.8Very high97.8Very high0 Ų031.7 Ų31.70%019%0.192CC..EExtended strand (participates in β ladder)trans-141.7150.7173.265.50000109.7V96 I122 A123 G124 A125 P197 I199 W345V96-V166 HydrophobicContact CG1-CG1 3.73Å; I122-V166 HydrophobicContact CG2-CB 4.43Å; I122-V166 HydrophobicContact CG2-CG1 4.29Å; A123-V166 PolarHBondContact O-N 2.75Å; G124-V166 CarbonylContact C-O 3.22Å; G124-V166 WeakPolarHBondContact CA-O 3.38Å; A125-V166 WeakPolarHBondContact CB-O 3.38Å; A125-V166 PolarHBondContact N-O 3.3Å; V166-P197 HydrophobicContact CB-CG 4.01Å; V166-P197 HydrophobicContact CG2-CB 3.92Å; V166-P197 HydrophobicContact CG2-CG 3.97Å; V166-P197 WeakPolarHBondContact CG2-O 3.33Å; V166-I199 HydrophobicContact CG2-CB 4.5Å; V166-I199 HydrophobicContact CG2-CG2 3.74Å; V166-W345 HydrophobicContact CG2-CH2 4.19Å; V166-W345 HydrophobicContact CG2-CZ2 3.7Å
167V98.9Very high97.8Very high0 Ų032.7 Ų32.70%020%0.196CC..EExtended strand (participates in β ladder)trans-95.4104.5168.5-1790000108.3A125 I149 I153 I170 T187 C196 P197 V198 I199A125-V167 HydrophobicContact CB-CG2 4.5Å; I149-V167 HydrophobicContact CD1-CG1 4.39Å; I149-V167 HydrophobicContact CG2-CB 4.27Å; I149-V167 HydrophobicContact CG2-CG1 3.7Å; I149-V167 HydrophobicContact CG2-CG2 3.52Å; I153-V167 HydrophobicContact CD1-CG2 4.23Å; I153-V167 HydrophobicContact CG1-CG2 4.31Å; V167-I170 HydrophobicContact CG1-CD1 3.94Å; V167-I170 HydrophobicContact CG1-CG1 4.2Å; V167-T187 HydrophobicContact CG1-CG2 3.77Å; V167-C196 VanDerWaalsContact CG2-SG 3.51Å; V167-P197 PolarHBondContact N-O 3.23Å; V167-V198 HydrophobicContact CB-CG2 4.15Å; V167-V198 CarbonylContact O-C 3.54Å; V167-V198 VanDerWaalsContact O-CA 3.27Å; V167-V198 WeakPolarHBondContact O-CA 3.46Å; V167-I199 PolarHBondContact O-N 2.97Å
168G97.8Very high97.9Very high0 Ų037.3 Ų37.30%023%0.226CC..EExtended strand (participates in β ladder)trans143.5177177.600000113.5T100 G124 A125 I199T100-G168 WeakPolarHBondContact CG2-O 3.47Å; G124-G168 CarbonylContact C-O 3.51Å; G124-G168 WeakPolarHBondContact CA-O 3.48Å; A125-G168 WeakPolarHBondContact O-CA 3.41Å; A125-G168 PolarHBondContact O-N 3.29Å; G168-I199 WeakPolarHBondContact CA-O 3.17Å
169E98.2Very high98.1Very high2 Ų233.7 Ų33.71%0.00921%0.207CC..EExtended strand (participates in β ladder)cis-69.2127.74.770.7175152.900112.1H26 H28 N98 T100 Y128 H201 H230H26-E169 IonicContact CE1-OE2 3.62Å; H26-E169 IonicContact NE2-OE2 3.69Å; H28-E169 IonicContact CE1-OE1 3.89Å; H28-E169 PolarHBondContact CE1-OE1 2.78Å; H28-E169 VanDerWaalsContact CE1-OE1 3.31Å; H28-E169 IonicContact NE2-OE1 3.21Å; N98-E169 HydrophobicContact CB-CB 4.1Å; N98-E169 HydrophobicContact CB-CG 4.25Å; N98-E169 WeakPolarHBondContact O-CG 3.21Å; N98-E169 PolarHBondContact O-N 2.83Å; N98-E169 PolarHBondContact OD1-N 2.84Å; T100-E169 PolarHBondContact OG1-O 3.29Å; Y128-E169 HydrophobicContact CD2-CG 3.82Å; Y128-E169 HydrophobicContact CE2-CG 3.83Å; Y128-E169 WeakPolarHBondContact CE2-OE1 3.5Å; Y128-E169 WeakPolarHBondContact CE2-OE2 3.49Å; E169-H201 HydrophobicContact CB-CB 4.38Å; E169-H201 HydrophobicContact CG-CB 4.44Å; E169-H201 WeakPolarHBondContact OE2-CB 3.39Å; E169-H201 IonicContact OE2-CE1 3.89Å; E169-H201 IonicContact OE2-CG 2.88Å; E169-H201 IonicContact OE2-ND1 2.65Å; E169-H201 PolarHBondContact OE2-ND1 3.15Å; E169-H230 IonicContact OE2-NE2 2.74Å
170I98.8Very high98.2Very high0 Ų029.4 Ų29.40%016%0.163CC..EExtended strand (participates in β ladder)trans-86.7114.5174.7-60.4-59.6000108.6F127 V167 C172 V183 L184 T187 I199 I200 H201F127-I170 WeakPolarHBondContact O-CA 3.23Å; V167-I170 HydrophobicContact CG1-CD1 3.94Å; V167-I170 HydrophobicContact CG1-CG1 4.2Å; I170-C172 PolarHBondContact O-N 2.74Å; I170-V183 HydrophobicContact CD1-CG1 4.25Å; I170-V183 HydrophobicContact CG2-CG1 3.74Å; I170-L184 HydrophobicContact CG2-CD2 3.92Å; I170-T187 HydrophobicContact CG1-CG2 4.08Å; I170-I199 PolarHBondContact N-O 2.86Å; I170-I200 HydrophobicContact CB-CD1 3.78Å; I170-I200 HydrophobicContact CG1-CD1 4.22Å; I170-I200 HydrophobicContact CG2-CD1 4.38Å; I170-H201 PolarHBondContact O-N 2.85Å
171G98.5Very high98.3Very high0 Ų032.1 Ų32.10%017%0.17CC..EExtended strand (participates in β ladder)trans-71.9123.9-176.200000113.4F127 Y128 E180F127-G171 PolarHBondContact O-N 3.3Å; F127-G171 VanDerWaalsContact O-N 3.07Å; Y128-G171 VanDerWaalsContact C-CA 3.48Å; G171-E180 WeakPolarHBondContact O-CG 3.19Å
172C98.6Very high98.3Very high0 Ų029 Ų290%015%0.148CC..  trans-126.7123.2170.5-59.20000110.5I170 L176 H201 P202 G203 I212I170-C172 PolarHBondContact O-N 2.74Å; C172-L176 HydrophobicContact CB-CD1 3.92Å; C172-H201 WeakPolarHBondContact CB-O 3.43Å; C172-H201 PolarHBondContact N-O 2.89Å; C172-P202 CarbonylContact O-C 3.57Å; C172-G203 WeakPolarHBondContact O-CA 3.45Å; C172-G203 PolarHBondContact O-N 3.5Å; C172-I212 HydrophobicContact CB-CD1 3.54Å; C172-I212 HydrophobicContact CB-CG1 4.1Å
173S97.6Very high98.3Very high35 Ų3528.6 Ų28.625%0.24515%0.146CC..  trans-82.4175.2168.172.20000111.8P175 E180S173-P175 PolarHBondContact OG-O 3Å; S173-E180 VanDerWaalsContact CB-OE1 3.29Å; S173-E180 WeakPolarHBondContact CB-OE1 3.27Å; S173-E180 VanDerWaalsContact N-CD 3.31Å; S173-E180 PolarHBondContact N-OE1 3.23Å; S173-E180 PolarHBondContact N-OE2 2.78Å; S173-E180 PolarHBondContact OG-OE1 2.66Å; S173-E180 PolarHBondContact OG-OE2 2.93Å
174W96.6Very high98.3Very high95 Ų9525.6 Ų25.636%0.3613%0.133SC..SBendtrans-128.5126.8168.5-178.4-97.2000110.9N205 D207 A208 Q211W174-N205 HydrophobicContact CB-CB 4.22Å; W174-N205 HydrophobicContact CD2-CB 3.67Å; W174-N205 HydrophobicContact CG-CB 3.49Å; W174-N205 VanDerWaalsContact CG-CB 3.49Å; W174-N205 HydrophobicContact CZ2-CB 4.38Å; W174-D207 HydrophobicContact CH2-CB 3.45Å; W174-D207 VanDerWaalsContact CH2-CB 3.45Å; W174-D207 HydrophobicContact CZ2-CB 3.91Å; W174-D207 HydrophobicContact CZ3-CB 4.13Å; W174-A208 HydrophobicContact CD2-CB 4.22Å; W174-A208 HydrophobicContact CE3-CB 3.52Å; W174-A208 HydrophobicContact CZ3-CB 4.04Å; W174-Q211 HydrophobicContact CZ3-CB 4.28Å
175P97Very high98.3Very high99 Ų9928.7 Ų28.764%0.64315%0.147SC*.SBendcis-63.7152.2-9-21.534.3000113.2S173 T177S173-P175 PolarHBondContact OG-O 3Å; P175-T177 PolarHBondContact O-N 2.99Å
176L97.5Very high98.3Very high20 Ų2028.7 Ų28.711%0.10515%0.147CC..PPolyproline II helixtrans-59.6123.9178.9-172.773.8000111.7C172 E180 R181 L184C172-L176 HydrophobicContact CB-CD1 3.92Å; L176-E180 HydrophobicContact CD1-CB 3.57Å; L176-E180 HydrophobicContact CG-CB 4.31Å; L176-R181 HydrophobicContact CD2-CB 3.85Å; L176-R181 HydrophobicContact CD2-CG 4.35Å; L176-R181 HydrophobicContact CG-CB 4.33Å; L176-L184 HydrophobicContact CD1-CD1 3.93Å; L176-L184 HydrophobicContact CD2-CD1 3.87Å
177T98.4Very high98.3Very high29 Ų2928.7 Ų28.718%0.17815%0.147CC..PPolyproline II helixtrans-74.9163.1178.565.60000112.6D130 P175 S179 E180 R181D130-T177 HydrophobicContact CB-CG2 3.87Å; D130-T177 WeakPolarHBondContact CB-OG1 3.34Å; P175-T177 PolarHBondContact O-N 2.99Å; T177-S179 VanDerWaalsContact C-N 3.28Å; T177-S179 PolarHBondContact O-N 3.23Å; T177-E180 WeakPolarHBondContact CB-OE2 3.32Å; T177-E180 WeakPolarHBondContact CG2-OE2 3.36Å; T177-E180 PolarHBondContact N-OE2 2.82Å; T177-E180 PolarHBondContact O-N 3.01Å; T177-E180 WeakPolarHBondContact OG1-CB 3.3Å; T177-E180 WeakPolarHBondContact OG1-CG 3.1Å; T177-E180 PolarHBondContact OG1-N 3.19Å; T177-E180 PolarHBondContact OG1-OE2 3.25Å; T177-R181 WeakPolarHBondContact O-CB 3.39Å; T177-R181 PolarHBondContact O-N 3Å
178P98.4Very high98.3Very high98 Ų9828.7 Ų28.764%0.63615%0.147SC*.Hα-helixtrans-60.1-34.4173.2-25.835.8000114R182P178-R182 PolarHBondContact O-N 3.37Å; P178-R182 PolarHBondContact O-NH1 3.4Å; P178-R182 VanDerWaalsContact O-NH1 3.08Å
179S98.4Very high98.4Very high5 Ų532 Ų324%0.03516%0.163CC..Hα-helixtrans-70.8-49.2179.2-159.70000111.1D130 H133 T177 R181 R182 V183D130-S179 WeakPolarHBondContact OD1-CB 3.11Å; H133-S179 PolarHBondContact ND1-OG 3.24Å; H133-S179 VanDerWaalsContact ND1-OG 3.08Å; T177-S179 VanDerWaalsContact C-N 3.28Å; T177-S179 PolarHBondContact O-N 3.23Å; S179-R181 VanDerWaalsContact C-N 3.27Å; S179-R181 PolarHBondContact O-N 2.93Å; S179-R182 WeakPolarHBondContact O-CB 3.33Å; S179-R182 PolarHBondContact O-N 3.39Å; S179-V183 WeakPolarHBondContact O-CG2 3.41Å; S179-V183 PolarHBondContact O-N 3.24Å
180E98.8Very high98.4Very high1 Ų131.9 Ų31.91%0.00516%0.162CC..Hα-helixtrans-61.3-36.5177.4-66.5161.615300111.5D130 G171 S173 L176 T177 R182 V183 L184D130-E180 HydrophobicContact CB-CG 3.9Å; D130-E180 PolarHBondContact N-OE1 2.93Å; G171-E180 WeakPolarHBondContact O-CG 3.19Å; S173-E180 VanDerWaalsContact CB-OE1 3.29Å; S173-E180 WeakPolarHBondContact CB-OE1 3.27Å; S173-E180 VanDerWaalsContact N-CD 3.31Å; S173-E180 PolarHBondContact N-OE1 3.23Å; S173-E180 PolarHBondContact N-OE2 2.78Å; S173-E180 PolarHBondContact OG-OE1 2.66Å; S173-E180 PolarHBondContact OG-OE2 2.93Å; L176-E180 HydrophobicContact CD1-CB 3.57Å; L176-E180 HydrophobicContact CG-CB 4.31Å; T177-E180 WeakPolarHBondContact CB-OE2 3.32Å; T177-E180 WeakPolarHBondContact CG2-OE2 3.36Å; T177-E180 PolarHBondContact N-OE2 2.82Å; T177-E180 PolarHBondContact O-N 3.01Å; T177-E180 WeakPolarHBondContact OG1-CB 3.3Å; T177-E180 WeakPolarHBondContact OG1-CG 3.1Å; T177-E180 PolarHBondContact OG1-N 3.19Å; T177-E180 PolarHBondContact OG1-OE2 3.25Å; E180-R182 VanDerWaalsContact C-N 3.35Å; E180-R182 PolarHBondContact O-N 2.9Å; E180-V183 PolarHBondContact O-N 3.08Å; E180-L184 PolarHBondContact O-N 2.95Å
181R98.8Very high98.4Very high89 Ų8932.2 Ų32.234%0.33616%0.164SC..Hα-helixtrans-59.1-43.2172-178.7177.1-67-82.9-3.7112.5L176 T177 S179 V183 L184 Q185 V215L176-R181 HydrophobicContact CD2-CB 3.85Å; L176-R181 HydrophobicContact CD2-CG 4.35Å; L176-R181 HydrophobicContact CG-CB 4.33Å; T177-R181 WeakPolarHBondContact O-CB 3.39Å; T177-R181 PolarHBondContact O-N 3Å; S179-R181 VanDerWaalsContact C-N 3.27Å; S179-R181 PolarHBondContact O-N 2.93Å; R181-V183 VanDerWaalsContact C-N 3.35Å; R181-L184 PolarHBondContact O-N 2.99Å; R181-Q185 WeakPolarHBondContact O-CG 3.33Å; R181-Q185 PolarHBondContact O-N 3.39Å; R181-Q185 VanDerWaalsContact O-N 3.09Å; R181-V215 VanDerWaalsContact NH1-CG2 3.31Å
182R98.8Very high98.3Very high64 Ų6435.4 Ų35.424%0.24219%0.186CC..Hα-helixtrans-65.7-39175.6-73.1-168.3-62.5-73.6-0.1111.5Q138 M140 V142 L145 P178 S179 E180 Q185 A186Q138-R182 PolarHBondContact O-NH2 3.21Å; M140-R182 PolarHBondContact O-NE 3.06Å; V142-R182 HydrophobicContact CG2-CB 3.92Å; V142-R182 HydrophobicContact CG2-CG 3.87Å; L145-R182 HydrophobicContact CD1-CB 3.84Å; P178-R182 PolarHBondContact O-N 3.37Å; P178-R182 PolarHBondContact O-NH1 3.4Å; P178-R182 VanDerWaalsContact O-NH1 3.08Å; S179-R182 WeakPolarHBondContact O-CB 3.33Å; S179-R182 PolarHBondContact O-N 3.39Å; E180-R182 VanDerWaalsContact C-N 3.35Å; E180-R182 PolarHBondContact O-N 2.9Å; R182-Q185 PolarHBondContact O-N 2.81Å; R182-A186 WeakPolarHBondContact O-CB 3.3Å; R182-A186 PolarHBondContact O-N 3.11Å
183V98.8Very high98.2Very high0 Ų041.4 Ų41.40%021%0.214CC..Hα-helixtrans-63.5-41.3175.7175.30000111.4F127 L145 I170 S179 E180 R181 A186 T187F127-V183 HydrophobicContact CB-CG1 4.09Å; F127-V183 HydrophobicContact CB-CG2 4.27Å; F127-V183 HydrophobicContact CD2-CG1 4.12Å; F127-V183 HydrophobicContact CD2-CG2 4.27Å; F127-V183 HydrophobicContact CG-CG2 4.44Å; L145-V183 HydrophobicContact CD1-CG2 3.97Å; L145-V183 HydrophobicContact CD2-CG2 4.32Å; I170-V183 HydrophobicContact CD1-CG1 4.25Å; I170-V183 HydrophobicContact CG2-CG1 3.74Å; S179-V183 WeakPolarHBondContact O-CG2 3.41Å; S179-V183 PolarHBondContact O-N 3.24Å; E180-V183 PolarHBondContact O-N 3.08Å; R181-V183 VanDerWaalsContact C-N 3.35Å; V183-A186 PolarHBondContact O-N 2.59Å; V183-T187 WeakPolarHBondContact O-CB 3.24Å; V183-T187 PolarHBondContact O-N 3.04Å; V183-T187 PolarHBondContact O-OG1 2.96Å
184L98.8Very high98.1Very high0 Ų041.1 Ų41.10%021%0.21CC..Hα-helixtrans-62.4-43.8174.2-76.4176.5000112.2I170 L176 E180 R181 A186 T187 A188 I200 I212 V215 L216I170-L184 HydrophobicContact CG2-CD2 3.92Å; L176-L184 HydrophobicContact CD1-CD1 3.93Å; L176-L184 HydrophobicContact CD2-CD1 3.87Å; E180-L184 PolarHBondContact O-N 2.95Å; R181-L184 PolarHBondContact O-N 2.99Å; L184-A186 VanDerWaalsContact C-N 3.35Å; L184-A186 PolarHBondContact O-N 3.3Å; L184-T187 WeakPolarHBondContact O-CB 3.4Å; L184-T187 PolarHBondContact O-N 2.92Å; L184-A188 PolarHBondContact O-N 3.44Å; L184-I200 HydrophobicContact CD2-CD1 4.08Å; L184-I212 HydrophobicContact CD1-CB 4.41Å; L184-I212 HydrophobicContact CD1-CG1 4.22Å; L184-I212 HydrophobicContact CD1-CG2 3.92Å; L184-I212 HydrophobicContact CD2-CG2 3.7Å; L184-I212 HydrophobicContact CG-CG2 4.49Å; L184-V215 HydrophobicContact CB-CG1 3.96Å; L184-V215 HydrophobicContact CD1-CB 4.43Å; L184-V215 HydrophobicContact CD1-CG1 4.18Å; L184-L216 HydrophobicContact CB-CD2 4.39Å; L184-L216 HydrophobicContact CD2-CD1 4.35Å; L184-L216 HydrophobicContact CD2-CD2 4.02Å; L184-L216 HydrophobicContact CD2-CG 4.13Å; L184-L216 WeakPolarHBondContact O-CD2 3.42Å
185Q98.9Very high98.1Very high65 Ų6537.3 Ų37.330%0.30420%0.2SC..Hα-helixtrans-62.1-43.8175.8-70.1170.8-38.700111.3V142 R181 R182 T187 A188 H189 V215 A219V142-Q185 HydrophobicContact CG1-CB 3.9Å; V142-Q185 HydrophobicContact CG2-CB 4.13Å; R181-Q185 WeakPolarHBondContact O-CG 3.33Å; R181-Q185 PolarHBondContact O-N 3.39Å; R181-Q185 VanDerWaalsContact O-N 3.09Å; R182-Q185 PolarHBondContact O-N 2.81Å; Q185-T187 VanDerWaalsContact C-N 3.32Å; Q185-T187 PolarHBondContact O-N 3.44Å; Q185-A188 WeakPolarHBondContact O-CB 3.37Å; Q185-A188 PolarHBondContact O-N 3.43Å; Q185-H189 PolarHBondContact O-CD2 3.26Å; Q185-H189 PolarHBondContact O-N 3.06Å; Q185-V215 HydrophobicContact CG-CG1 4.4Å; Q185-A219 HydrophobicContact CG-CB 4.35Å
186A98.9Very high98.2Very high0 Ų032.6 Ų32.60%017%0.17CC..Hα-helixtrans-62.3-40175.800000112.4V142 L145 T146 I149 R182 V183 L184 H189 A190V142-A186 HydrophobicContact CG1-CB 4.27Å; L145-A186 HydrophobicContact CB-CB 3.52Å; T146-A186 VanDerWaalsContact OG1-CA 3.3Å; T146-A186 WeakPolarHBondContact OG1-CA 3.35Å; T146-A186 WeakPolarHBondContact OG1-CB 3.4Å; I149-A186 HydrophobicContact CD1-CB 4.23Å; R182-A186 WeakPolarHBondContact O-CB 3.3Å; R182-A186 PolarHBondContact O-N 3.11Å; V183-A186 PolarHBondContact O-N 2.59Å; L184-A186 VanDerWaalsContact C-N 3.35Å; L184-A186 PolarHBondContact O-N 3.3Å; A186-H189 PolarHBondContact O-N 3.34Å; A186-A190 WeakPolarHBondContact O-CB 3.41Å; A186-A190 PolarHBondContact O-N 3.03Å
187T98.9Very high98.2Very high0 Ų031.7 Ų31.70%017%0.165CC..Hα-helixtrans-59.3-47.2174.2-630000111.1V167 I170 V183 L184 Q185 H189 A190 Q191 V198 L216V167-T187 HydrophobicContact CG1-CG2 3.77Å; I170-T187 HydrophobicContact CG1-CG2 4.08Å; V183-T187 WeakPolarHBondContact O-CB 3.24Å; V183-T187 PolarHBondContact O-N 3.04Å; V183-T187 PolarHBondContact O-OG1 2.96Å; L184-T187 WeakPolarHBondContact O-CB 3.4Å; L184-T187 PolarHBondContact O-N 2.92Å; Q185-T187 VanDerWaalsContact C-N 3.32Å; Q185-T187 PolarHBondContact O-N 3.44Å; T187-H189 VanDerWaalsContact C-N 3.34Å; T187-H189 PolarHBondContact O-N 2.92Å; T187-A190 PolarHBondContact O-N 3.39Å; T187-Q191 WeakPolarHBondContact O-CB 3.49Å; T187-Q191 PolarHBondContact O-N 3.12Å; T187-V198 HydrophobicContact CG2-CB 4.46Å; T187-V198 HydrophobicContact CG2-CG1 3.66Å; T187-V198 HydrophobicContact CG2-CG2 3.85Å; T187-L216 HydrophobicContact CG2-CD2 4.17Å
188A98.8Very high98.3Very high0 Ų030.3 Ų30.30%016%0.156CC..Hα-helixtrans-60.8-42.3177.300000112.4L184 Q185 Q191 S192 L216 A219 A221L184-A188 PolarHBondContact O-N 3.44Å; Q185-A188 WeakPolarHBondContact O-CB 3.37Å; Q185-A188 PolarHBondContact O-N 3.43Å; A188-Q191 PolarHBondContact O-N 3.33Å; A188-S192 WeakPolarHBondContact O-CB 3.36Å; A188-S192 PolarHBondContact O-N 2.96Å; A188-S192 PolarHBondContact O-OG 2.93Å; A188-L216 HydrophobicContact CB-CD2 4.13Å; A188-A219 HydrophobicContact CB-CB 3.47Å; A188-A219 VanDerWaalsContact CB-CB 3.47Å; A188-A221 HydrophobicContact CB-CB 3.74Å
189H98.8Very high98.3Very high70 Ų7025.6 Ų25.632%0.32413%0.126SC..Hα-helixtrans-66.3-43177-64.8-35.5000112.4T146 Q185 A186 T187 S192 Q193 A219T146-H189 HydrophobicContact CG2-CB 3.89Å; Q185-H189 PolarHBondContact O-CD2 3.26Å; Q185-H189 PolarHBondContact O-N 3.06Å; A186-H189 PolarHBondContact O-N 3.34Å; T187-H189 VanDerWaalsContact C-N 3.34Å; T187-H189 PolarHBondContact O-N 2.92Å; H189-S192 PolarHBondContact O-N 2.92Å; H189-Q193 VanDerWaalsContact O-CG 3.24Å; H189-Q193 WeakPolarHBondContact O-CG 3.4Å; H189-Q193 PolarHBondContact O-N 3.43Å; H189-Q193 PolarHBondContact O-NE2 2.93Å; H189-A219 PolarHBondContact ND1-O 3.49Å
190A98.5Very high98.3Very high0 Ų025.4 Ų25.40%012%0.124CC..Hα-helixtrans-62.1-44.7174.900000111.3T146 I149 V150 A186 T187 S192 Q193 L194T146-A190 HydrophobicContact CG2-CB 4.41Å; I149-A190 HydrophobicContact CB-CB 4.13Å; I149-A190 HydrophobicContact CG2-CB 3.56Å; V150-A190 HydrophobicContact CG2-CB 4.04Å; A186-A190 WeakPolarHBondContact O-CB 3.41Å; A186-A190 PolarHBondContact O-N 3.03Å; T187-A190 PolarHBondContact O-N 3.39Å; A190-S192 VanDerWaalsContact C-N 3.35Å; A190-S192 PolarHBondContact O-N 3.48Å; A190-Q193 PolarHBondContact O-N 3.09Å; A190-L194 WeakPolarHBondContact O-CB 3.42Å; A190-L194 WeakPolarHBondContact O-CG 3.3Å; A190-L194 PolarHBondContact O-N 2.91Å
191Q98.3Very high98.3Very high6 Ų625.5 Ų25.53%0.02813%0.125CC..Hα-helixtrans-60.8-43.6177-164-168.948.100112.1T187 A188 Q193 L194 G195 C196 V198 A221 K225 T226T187-Q191 WeakPolarHBondContact O-CB 3.49Å; T187-Q191 PolarHBondContact O-N 3.12Å; A188-Q191 PolarHBondContact O-N 3.33Å; Q191-Q193 VanDerWaalsContact C-N 3.31Å; Q191-Q193 PolarHBondContact O-N 3.43Å; Q191-L194 PolarHBondContact O-N 2.91Å; Q191-G195 WeakPolarHBondContact O-CA 3.29Å; Q191-G195 PolarHBondContact O-N 3.29Å; Q191-C196 VanDerWaalsContact CG-O 3.32Å; Q191-C196 WeakPolarHBondContact CG-O 3.42Å; Q191-V198 HydrophobicContact CB-CG2 3.85Å; Q191-V198 HydrophobicContact CG-CG2 3.68Å; Q191-A221 VanDerWaalsContact OE1-CA 3.31Å; Q191-A221 VanDerWaalsContact OE1-CB 3.25Å; Q191-K225 PolarHBondContact NE2-O 2.91Å; Q191-T226 PolarHBondContact NE2-OG1 3.16Å
192S97.1Very high98.3Very high68 Ų6821.2 Ų21.248%0.47611%0.109SC..Hα-helixtrans-64.2-36.4178.8-58.70000112.4A188 H189 A190 G220A188-S192 WeakPolarHBondContact O-CB 3.36Å; A188-S192 PolarHBondContact O-N 2.96Å; A188-S192 PolarHBondContact O-OG 2.93Å; H189-S192 PolarHBondContact O-N 2.92Å; A190-S192 VanDerWaalsContact C-N 3.35Å; A190-S192 PolarHBondContact O-N 3.48Å; S192-G220 PolarHBondContact OG-O 3.15Å
193Q95.9Very high98.2Very high126 Ų12618.2 Ų18.259%0.58910%0.098SC*.Hα-helixtrans-75.3-38179.2-72172.645.700112.7H189 A190 Q191H189-Q193 VanDerWaalsContact O-CG 3.24Å; H189-Q193 WeakPolarHBondContact O-CG 3.4Å; H189-Q193 PolarHBondContact O-N 3.43Å; H189-Q193 PolarHBondContact O-NE2 2.93Å; A190-Q193 PolarHBondContact O-N 3.09Å; Q191-Q193 VanDerWaalsContact C-N 3.31Å; Q191-Q193 PolarHBondContact O-N 3.43Å
194L96.7Very high98.1Very high29 Ų2920.4 Ų20.415%0.15211%0.106CC..Hα-helixtrans-107.1-16.3-167.1-59.3-178.9000114.2V150 I153 L154 A190 Q191 C196V150-L194 HydrophobicContact CB-CD1 4.46Å; V150-L194 HydrophobicContact CG1-CD1 4.45Å; V150-L194 HydrophobicContact CG2-CD1 4.09Å; I153-L194 HydrophobicContact CB-CD1 3.95Å; I153-L194 HydrophobicContact CG1-CD1 4.26Å; I153-L194 HydrophobicContact CG2-CD1 3.85Å; L154-L194 HydrophobicContact CD1-CD2 4.03Å; L154-L194 HydrophobicContact CD2-CD2 4.04Å; L154-L194 HydrophobicContact CG-CD2 4.17Å; A190-L194 WeakPolarHBondContact O-CB 3.42Å; A190-L194 WeakPolarHBondContact O-CG 3.3Å; A190-L194 PolarHBondContact O-N 2.91Å; Q191-L194 PolarHBondContact O-N 2.91Å; L194-C196 HydrophobicContact CB-CB 4.18Å; L194-C196 PolarHBondContact O-N 2.65Å
195G96.6Very high98Very high15 Ų1522.3 Ų22.316%0.15512%0.116CC..  trans64.422.1-17200000113.6Q191 K349Q191-G195 WeakPolarHBondContact O-CA 3.29Å; Q191-G195 PolarHBondContact O-N 3.29Å; G195-K349 PolarHBondContact O-N 3.18Å
196C97.8Very high97.9Very high0 Ų020.8 Ų20.80%011%0.113CC..  trans-75.3158.5-173.862.90000112.9V167 Q191 L194 F348V167-C196 VanDerWaalsContact CG2-SG 3.51Å; Q191-C196 VanDerWaalsContact CG-O 3.32Å; Q191-C196 WeakPolarHBondContact CG-O 3.42Å; L194-C196 HydrophobicContact CB-CB 4.18Å; L194-C196 PolarHBondContact O-N 2.65Å; C196-F348 HydrophobicContact CB-CD1 3.89Å; C196-F348 HydrophobicContact CB-CE1 3.31Å; C196-F348 HydrophobicContact CB-CZ 3.71Å
197P98.6Very high97.8Very high0 Ų025.1 Ų25.10%014%0.136CC..  trans-69.3145.5167.724.6-27.6000111.4G165 V166 V167 W345 L346 F348G165-P197 WeakPolarHBondContact O-CG 3.31Å; V166-P197 HydrophobicContact CB-CG 4.01Å; V166-P197 HydrophobicContact CG2-CB 3.92Å; V166-P197 HydrophobicContact CG2-CG 3.97Å; V166-P197 WeakPolarHBondContact CG2-O 3.33Å; V167-P197 PolarHBondContact N-O 3.23Å; P197-W345 HydrophobicContact CB-CD2 4.35Å; P197-W345 HydrophobicContact CB-CG 4.41Å; P197-W345 HydrophobicContact CB-CZ2 4.11Å; P197-W345 VanDerWaalsContact CB-NE1 3.33Å; P197-W345 WeakPolarHBondContact CB-O 3.28Å; P197-L346 HydrophobicContact CG-CD2 4.27Å; P197-F348 HydrophobicContact CG-CE2 4.44Å
198V98.9Very high97.8Very high0 Ų025.1 Ų25.10%014%0.136CC..EExtended strand (participates in β ladder)trans-122.7144.2173.8172.50000110.2V167 T187 Q191 I200 K225 T226 V227 W345V167-V198 HydrophobicContact CB-CG2 4.15Å; V167-V198 CarbonylContact O-C 3.54Å; V167-V198 VanDerWaalsContact O-CA 3.27Å; V167-V198 WeakPolarHBondContact O-CA 3.46Å; T187-V198 HydrophobicContact CG2-CB 4.46Å; T187-V198 HydrophobicContact CG2-CG1 3.66Å; T187-V198 HydrophobicContact CG2-CG2 3.85Å; Q191-V198 HydrophobicContact CB-CG2 3.85Å; Q191-V198 HydrophobicContact CG-CG2 3.68Å; V198-I200 HydrophobicContact CG1-CD1 3.57Å; V198-I200 HydrophobicContact CG1-CG1 4.12Å; V198-K225 PolarHBondContact N-O 3.27Å; V198-T226 HydrophobicContact CB-CG2 4.41Å; V198-T226 HydrophobicContact CG1-CG2 4.06Å; V198-T226 CarbonylContact O-C 3.49Å; V198-T226 WeakPolarHBondContact O-CA 3.48Å; V198-V227 PolarHBondContact O-N 2.76Å; V198-W345 PolarHBondContact O-NE1 3.36Å
199I98.9Very high97.8Very high0 Ų025.1 Ų25.10%014%0.136CC..EExtended strand (participates in β ladder)trans-138.3134.7174.3-177.8161.6000110.9H26 N98 V166 V167 G168 I170 V227 S229 E252 W345H26-I199 HydrophobicContact CB-CD1 4.39Å; N98-I199 WeakPolarHBondContact OD1-CG2 3.48Å; V166-I199 HydrophobicContact CG2-CB 4.5Å; V166-I199 HydrophobicContact CG2-CG2 3.74Å; V167-I199 PolarHBondContact O-N 2.97Å; G168-I199 WeakPolarHBondContact CA-O 3.17Å; I170-I199 PolarHBondContact N-O 2.86Å; I199-V227 HydrophobicContact CB-CB 4.04Å; I199-V227 HydrophobicContact CD1-CB 4.31Å; I199-V227 HydrophobicContact CD1-CG1 4.03Å; I199-V227 HydrophobicContact CG1-CB 3.93Å; I199-V227 HydrophobicContact CG1-CG1 3.95Å; I199-S229 WeakPolarHBondContact CG1-OG 3.12Å; I199-E252 VanDerWaalsContact CD1-OE2 3.3Å; I199-E252 WeakPolarHBondContact CD1-OE2 3.38Å; I199-W345 HydrophobicContact CB-CH2 4.24Å; I199-W345 HydrophobicContact CB-CZ2 3.88Å; I199-W345 HydrophobicContact CD1-CH2 3.97Å; I199-W345 HydrophobicContact CD1-CZ2 4.41Å; I199-W345 HydrophobicContact CG2-CZ2 4.35Å
200I98.9Very high97.8Very high0 Ų024.3 Ų24.30%013%0.132CC..EExtended strand (participates in β ladder)trans-123131-166-57.9-56.9000110.5I170 L184 V198 P202 I212 L216 T226 V227 M228 S229I170-I200 HydrophobicContact CB-CD1 3.78Å; I170-I200 HydrophobicContact CG1-CD1 4.22Å; I170-I200 HydrophobicContact CG2-CD1 4.38Å; L184-I200 HydrophobicContact CD2-CD1 4.08Å; V198-I200 HydrophobicContact CG1-CD1 3.57Å; V198-I200 HydrophobicContact CG1-CG1 4.12Å; I200-P202 VanDerWaalsContact O-CD 3.24Å; I200-P202 WeakPolarHBondContact O-CD 3.08Å; I200-I212 HydrophobicContact CG1-CG2 4.39Å; I200-I212 HydrophobicContact CG2-CD1 4.01Å; I200-I212 HydrophobicContact CG2-CG2 3.65Å; I200-L216 HydrophobicContact CD1-CD1 3.94Å; I200-L216 HydrophobicContact CG1-CD1 4.03Å; I200-T226 HydrophobicContact CG1-CG2 3.91Å; I200-V227 WeakPolarHBondContact CB-O 3.36Å; I200-V227 PolarHBondContact N-O 2.63Å; I200-M228 HydrophobicContact CB-CE 4.17Å; I200-M228 HydrophobicContact CB-SD 4.21Å; I200-M228 HydrophobicContact CG2-CE 3.92Å; I200-M228 HydrophobicContact CG2-SD 3.95Å; I200-S229 WeakPolarHBondContact O-CB 3.45Å; I200-S229 PolarHBondContact O-N 3.37Å; I200-S229 PolarHBondContact O-OG 2.8Å
201H98.8Very high97.8Very high3 Ų327.2 Ų27.21%0.01415%0.145CC..EExtended strand (participates in β ladder)trans-90106.8167-178.399.8000110.7Y128 E169 I170 C172 R204 H230Y128-H201 HydrophobicContact CE2-CB 4.2Å; Y128-H201 AromaticContact CE2-CG 3.82Å; Y128-H201 AromaticContact CE2-ND1 3.69Å; Y128-H201 AromaticContact CZ-CE1 3.97Å; Y128-H201 AromaticContact CZ-ND1 4Å; Y128-H201 PolarHBondContact OH-CE1 3.31Å; Y128-H201 PolarHBondContact OH-ND1 3.47Å; E169-H201 HydrophobicContact CB-CB 4.38Å; E169-H201 HydrophobicContact CG-CB 4.44Å; E169-H201 WeakPolarHBondContact OE2-CB 3.39Å; E169-H201 IonicContact OE2-CE1 3.89Å; E169-H201 IonicContact OE2-CG 2.88Å; E169-H201 IonicContact OE2-ND1 2.65Å; E169-H201 PolarHBondContact OE2-ND1 3.15Å; I170-H201 PolarHBondContact O-N 2.85Å; C172-H201 WeakPolarHBondContact CB-O 3.43Å; C172-H201 PolarHBondContact N-O 2.89Å; H201-R204 PolarHBondContact NE2-NH1 3.33Å; H201-H230 AromaticContact CE1-CD2 3.66Å; H201-H230 AromaticContact CE1-NE2 3.39Å; H201-H230 PolarHBondContact CE1-NE2 2.99Å; H201-H230 AromaticContact CG-CD2 3.96Å; H201-H230 AromaticContact CG-NE2 3.91Å; H201-H230 AromaticContact ND1-CD2 3.36Å; H201-H230 PolarHBondContact ND1-CD2 3.46Å; H201-H230 AromaticContact ND1-NE2 2.96Å; H201-H230 PolarHBondContact ND1-NE2 2.82Å
202P98.5Very high97.8Very high0 Ų027 Ų270%014%0.144CC..  trans-81.6156.1177.632.5-36.2000113C172 I200 P209 I212 M228 S229 H230 R233C172-P202 CarbonylContact O-C 3.57Å; I200-P202 VanDerWaalsContact O-CD 3.24Å; I200-P202 WeakPolarHBondContact O-CD 3.08Å; P202-P209 HydrophobicContact CB-CG 4.11Å; P202-I212 HydrophobicContact CB-CD1 4Å; P202-M228 HydrophobicContact CB-SD 3.74Å; P202-M228 HydrophobicContact CG-SD 3.76Å; P202-S229 WeakPolarHBondContact CD-O 3.16Å; P202-S229 WeakPolarHBondContact CG-O 3.19Å; P202-H230 HydrophobicContact CG-CB 4.34Å; P202-R233 PolarHBondContact O-NH1 2.84Å; P202-R233 PolarHBondContact O-NH2 3.35Å
203G97.3Very high97.9Very high1 Ų123.9 Ų23.91%0.0112%0.122CC..  trans-58.5170161.200000111.5C172 N205 R233 T234C172-G203 WeakPolarHBondContact O-CA 3.45Å; C172-G203 PolarHBondContact O-N 3.5Å; G203-N205 VanDerWaalsContact C-N 3.33Å; G203-N205 PolarHBondContact O-N 3.48Å; G203-R233 PolarHBondContact O-NH1 2.9Å; G203-T234 WeakPolarHBondContact O-CG2 3.42Å
204R95.8Very high98Very high45 Ų4525.4 Ų25.417%0.1712%0.123CC..SBendtrans-84.2-8-172-73.165.2171.7162.1-2.4113.5H201 Y263 Y266 I269H201-R204 PolarHBondContact NE2-NH1 3.33Å; R204-Y263 HydrophobicContact CG-CE1 3.87Å; R204-Y263 PolarHBondContact NE-OH 3.01Å; R204-Y263 PolarHBondContact NH2-OH 3.18Å; R204-Y266 HydrophobicContact CB-CD2 3.72Å; R204-Y266 HydrophobicContact CB-CE2 4.33Å; R204-Y266 HydrophobicContact CB-CG 3.98Å; R204-Y266 HydrophobicContact CG-CD2 4.42Å; R204-Y266 HydrophobicContact CG-CG 4.44Å; R204-I269 HydrophobicContact CB-CD1 4.12Å; R204-I269 HydrophobicContact CG-CD1 4.47Å
205N96.7Very high98.1Very high40 Ų4024.4 Ų24.421%0.21412%0.118CC..SBendtrans-84.4143.3178.6-175.5-79.4000110.9W174 G203 D207 A208 T234W174-N205 HydrophobicContact CB-CB 4.22Å; W174-N205 HydrophobicContact CD2-CB 3.67Å; W174-N205 HydrophobicContact CG-CB 3.49Å; W174-N205 VanDerWaalsContact CG-CB 3.49Å; W174-N205 HydrophobicContact CZ2-CB 4.38Å; G203-N205 VanDerWaalsContact C-N 3.33Å; G203-N205 PolarHBondContact O-N 3.48Å; N205-D207 VanDerWaalsContact C-N 3.26Å; N205-D207 PolarHBondContact O-N 2.72Å; N205-D207 VanDerWaalsContact OD1-CB 3.29Å; N205-D207 WeakPolarHBondContact OD1-CB 3.33Å; N205-D207 PolarHBondContact OD1-N 3.44Å; N205-A208 VanDerWaalsContact O-CB 3.22Å; N205-A208 WeakPolarHBondContact O-CB 3.06Å; N205-A208 PolarHBondContact O-N 2.91Å; N205-T234 WeakPolarHBondContact O-CG2 3.41Å
206S96.9Very high98.2Very high34 Ų3423.8 Ų23.824%0.23811%0.111CC..THydrogen-bonded Turntrans-67.6-22.4-175.870.30000114.1A208 P209 F210 T234 E240S206-A208 VanDerWaalsContact C-N 3.3Å; S206-A208 PolarHBondContact O-N 3.37Å; S206-P209 WeakPolarHBondContact O-CD 3.37Å; S206-F210 WeakPolarHBondContact O-CD2 3.45Å; S206-T234 WeakPolarHBondContact CA-O 3.15Å; S206-T234 WeakPolarHBondContact CB-O 3.48Å; S206-E240 WeakPolarHBondContact CB-OE1 3.4Å; S206-E240 PolarHBondContact OG-OE1 2.94Å
207D98Very high98.2Very high90 Ų9028 Ų2848%0.48113%0.13SC..Hα-helixtrans-75.2-17.6172.4-68.5-37.5000112.8W174 N205 F210 Q211W174-D207 HydrophobicContact CH2-CB 3.45Å; W174-D207 VanDerWaalsContact CH2-CB 3.45Å; W174-D207 HydrophobicContact CZ2-CB 3.91Å; W174-D207 HydrophobicContact CZ3-CB 4.13Å; N205-D207 VanDerWaalsContact C-N 3.26Å; N205-D207 PolarHBondContact O-N 2.72Å; N205-D207 VanDerWaalsContact OD1-CB 3.29Å; N205-D207 WeakPolarHBondContact OD1-CB 3.33Å; N205-D207 PolarHBondContact OD1-N 3.44Å; D207-F210 PolarHBondContact O-N 2.99Å; D207-Q211 PolarHBondContact O-N 3.26Å
208A98.3Very high98.2Very high1 Ų134 Ų341%0.00816%0.158CC..Hα-helixtrans-62.7-49.3-17400000112.5W174 N205 S206 F210 Q211 I212W174-A208 HydrophobicContact CD2-CB 4.22Å; W174-A208 HydrophobicContact CE3-CB 3.52Å; W174-A208 HydrophobicContact CZ3-CB 4.04Å; N205-A208 VanDerWaalsContact O-CB 3.22Å; N205-A208 WeakPolarHBondContact O-CB 3.06Å; N205-A208 PolarHBondContact O-N 2.91Å; S206-A208 VanDerWaalsContact C-N 3.3Å; S206-A208 PolarHBondContact O-N 3.37Å; A208-F210 VanDerWaalsContact C-N 3.32Å; A208-F210 PolarHBondContact O-N 3.43Å; A208-Q211 PolarHBondContact O-N 2.79Å; A208-I212 WeakPolarHBondContact O-CD1 3Å; A208-I212 WeakPolarHBondContact O-CG1 2.82Å; A208-I212 PolarHBondContact O-N 3.4Å
209P98.6Very high98.2Very high0 Ų034.9 Ų34.90%017%0.166CC..Hα-helixtrans-53-44.8174.3-30.338.5000114P202 S206 I212 I213 M228 L231 T234 I235 F244P202-P209 HydrophobicContact CB-CG 4.11Å; S206-P209 WeakPolarHBondContact O-CD 3.37Å; P209-I212 PolarHBondContact O-N 3.43Å; P209-I213 WeakPolarHBondContact O-CG1 3.4Å; P209-I213 PolarHBondContact O-N 3.42Å; P209-M228 HydrophobicContact CB-CE 4.14Å; P209-M228 HydrophobicContact CB-CG 3.99Å; P209-M228 HydrophobicContact CB-SD 4Å; P209-M228 HydrophobicContact CG-CG 4.33Å; P209-M228 HydrophobicContact CG-SD 4.26Å; P209-L231 HydrophobicContact CG-CD2 4.3Å; P209-T234 HydrophobicContact CG-CG2 3.68Å; P209-I235 HydrophobicContact CB-CD1 4.18Å; P209-I235 HydrophobicContact CG-CD1 4.06Å; P209-I235 HydrophobicContact CG-CG1 4.26Å; P209-F244 HydrophobicContact CB-CD2 3.94Å; P209-F244 HydrophobicContact CB-CE1 4.25Å; P209-F244 HydrophobicContact CB-CE2 3.42Å; P209-F244 VanDerWaalsContact CB-CE2 3.42Å; P209-F244 HydrophobicContact CB-CZ 3.61Å
210F98.7Very high98.1Very high53 Ų5337.1 Ų37.123%0.23219%0.189CC..Hα-helixtrans-63.6-46.2178.9-68.4-91.4000111.9S206 D207 A208 I212 R214 I235 E240 Q243 F244 L247S206-F210 WeakPolarHBondContact O-CD2 3.45Å; D207-F210 PolarHBondContact O-N 2.99Å; A208-F210 VanDerWaalsContact C-N 3.32Å; A208-F210 PolarHBondContact O-N 3.43Å; F210-I212 VanDerWaalsContact C-N 3.3Å; F210-I212 PolarHBondContact O-N 3Å; F210-R214 WeakPolarHBondContact O-CB 3.43Å; F210-R214 PolarHBondContact O-N 2.83Å; F210-R214 VanDerWaalsContact O-N 3.09Å; F210-I235 HydrophobicContact CE2-CD1 4.1Å; F210-E240 HydrophobicContact CE2-CG 3.74Å; F210-E240 HydrophobicContact CZ-CG 3.93Å; F210-E240 WeakPolarHBondContact CZ-O 3.24Å; F210-Q243 HydrophobicContact CE1-CB 4.44Å; F210-Q243 HydrophobicContact CZ-CB 4.44Å; F210-F244 HydrophobicContact CD1-CD2 4.01Å; F210-F244 HydrophobicContact CD2-CD2 4.16Å; F210-F244 HydrophobicContact CE1-CB 3.87Å; F210-F244 HydrophobicContact CE1-CD2 4.03Å; F210-F244 HydrophobicContact CE1-CG 4.47Å; F210-F244 HydrophobicContact CE2-CB 4.04Å; F210-F244 HydrophobicContact CE2-CD2 4.18Å; F210-F244 HydrophobicContact CE2-CG 4.47Å; F210-F244 HydrophobicContact CG-CD2 4.08Å; F210-F244 HydrophobicContact CZ-CB 3.52Å; F210-F244 HydrophobicContact CZ-CD2 4.13Å; F210-F244 HydrophobicContact CZ-CG 4.29Å; F210-L247 HydrophobicContact CD1-CD1 4.02Å; F210-L247 HydrophobicContact CE1-CD1 4.47Å
211Q98.7Very high98.1Very high61 Ų6137.6 Ų37.629%0.28519%0.193SC..Hα-helixtrans-60.1-42.2177-176.8-179.564.800111.2W174 D207 A208 V215W174-Q211 HydrophobicContact CZ3-CB 4.28Å; D207-Q211 PolarHBondContact O-N 3.26Å; A208-Q211 PolarHBondContact O-N 2.79Å; Q211-V215 WeakPolarHBondContact O-CG2 3.42Å; Q211-V215 PolarHBondContact O-N 3.01Å
212I98.8Very high98Very high2 Ų240.2 Ų40.21%0.0121%0.207CC..Hα-helixtrans-67.7-49.7-177.4-64.7159.4000111.3C172 L184 I200 P202 A208 P209 F210 R214 V215 L216 M228C172-I212 HydrophobicContact CB-CD1 3.54Å; C172-I212 HydrophobicContact CB-CG1 4.1Å; L184-I212 HydrophobicContact CD1-CB 4.41Å; L184-I212 HydrophobicContact CD1-CG1 4.22Å; L184-I212 HydrophobicContact CD1-CG2 3.92Å; L184-I212 HydrophobicContact CD2-CG2 3.7Å; L184-I212 HydrophobicContact CG-CG2 4.49Å; I200-I212 HydrophobicContact CG1-CG2 4.39Å; I200-I212 HydrophobicContact CG2-CD1 4.01Å; I200-I212 HydrophobicContact CG2-CG2 3.65Å; P202-I212 HydrophobicContact CB-CD1 4Å; A208-I212 WeakPolarHBondContact O-CD1 3Å; A208-I212 WeakPolarHBondContact O-CG1 2.82Å; A208-I212 PolarHBondContact O-N 3.4Å; P209-I212 PolarHBondContact O-N 3.43Å; F210-I212 VanDerWaalsContact C-N 3.3Å; F210-I212 PolarHBondContact O-N 3Å; I212-R214 VanDerWaalsContact C-N 3.26Å; I212-R214 PolarHBondContact O-N 3.33Å; I212-V215 PolarHBondContact O-N 3.48Å; I212-V215 VanDerWaalsContact O-N 3.15Å; I212-L216 HydrophobicContact CG2-CD1 3.9Å; I212-L216 HydrophobicContact CG2-CG 4.39Å; I212-L216 WeakPolarHBondContact O-CG 3.44Å; I212-L216 PolarHBondContact O-N 3.33Å; I212-M228 HydrophobicContact CB-CE 4.16Å; I212-M228 HydrophobicContact CG2-CE 4.14Å
213I98.6Very high98Very high1 Ų140.6 Ų40.61%0.00521%0.21CC..Hα-helixtrans-59.4-41.2178.5-68.3-61.7000110.9P209 V215 L216 Q217 T226 M228 F244 L247 C249P209-I213 WeakPolarHBondContact O-CG1 3.4Å; P209-I213 PolarHBondContact O-N 3.42Å; I213-V215 PolarHBondContact O-N 3.09Å; I213-L216 PolarHBondContact O-N 3.44Å; I213-Q217 HydrophobicContact CG2-CG 4.24Å; I213-Q217 WeakPolarHBondContact O-CB 3.1Å; I213-Q217 WeakPolarHBondContact O-CG 3.34Å; I213-Q217 PolarHBondContact O-N 3.32Å; I213-T226 HydrophobicContact CD1-CG2 3.97Å; I213-M228 HydrophobicContact CD1-CE 3.97Å; I213-M228 HydrophobicContact CG1-CE 3.89Å; I213-F244 HydrophobicContact CG1-CE2 3.76Å; I213-F244 HydrophobicContact CG1-CZ 3.85Å; I213-L247 HydrophobicContact CB-CD1 4.23Å; I213-L247 HydrophobicContact CG2-CB 4.16Å; I213-L247 HydrophobicContact CG2-CD1 3.95Å; I213-C249 HydrophobicContact CD1-CB 3.95Å
214R98.4Very high98Very high159 Ų15942.1 Ų42.160%0.622%0.221SC*.Hα-helixtrans-58.3-49.3175.1178.5179.2171.5-177.7-1.3112.1F210 I212 L216 Q217 E218F210-R214 WeakPolarHBondContact O-CB 3.43Å; F210-R214 PolarHBondContact O-N 2.83Å; F210-R214 VanDerWaalsContact O-N 3.09Å; I212-R214 VanDerWaalsContact C-N 3.26Å; I212-R214 PolarHBondContact O-N 3.33Å; R214-L216 VanDerWaalsContact C-N 3.32Å; R214-L216 PolarHBondContact O-N 3.32Å; R214-Q217 PolarHBondContact O-N 3.46Å; R214-E218 HydrophobicContact CG-CG 4.32Å; R214-E218 WeakPolarHBondContact CG-OE1 3.39Å; R214-E218 IonicContact CZ-OE1 3.98Å; R214-E218 IonicContact NE-OE1 3.88Å; R214-E218 PolarHBondContact NE-OE1 2.71Å; R214-E218 IonicContact NH2-OE1 2.83Å; R214-E218 PolarHBondContact NH2-OE1 3.39Å; R214-E218 VanDerWaalsContact NH2-OE1 3.14Å; R214-E218 WeakPolarHBondContact O-CB 3.34Å; R214-E218 VanDerWaalsContact O-CG 3.29Å; R214-E218 WeakPolarHBondContact O-CG 3.14Å; R214-E218 PolarHBondContact O-N 3.19Å
215V98.7Very high98.1Very high8 Ų840.5 Ų40.55%0.04822%0.215CC..Hα-helixtrans-61.1-42.3179.3170.20000111.3R181 L184 Q185 Q211 I212 I213 A219R181-V215 VanDerWaalsContact NH1-CG2 3.31Å; L184-V215 HydrophobicContact CB-CG1 3.96Å; L184-V215 HydrophobicContact CD1-CB 4.43Å; L184-V215 HydrophobicContact CD1-CG1 4.18Å; Q185-V215 HydrophobicContact CG-CG1 4.4Å; Q211-V215 WeakPolarHBondContact O-CG2 3.42Å; Q211-V215 PolarHBondContact O-N 3.01Å; I212-V215 PolarHBondContact O-N 3.48Å; I212-V215 VanDerWaalsContact O-N 3.15Å; I213-V215 PolarHBondContact O-N 3.09Å; V215-A219 WeakPolarHBondContact O-CB 3.41Å; V215-A219 PolarHBondContact O-N 2.9Å; V215-A219 VanDerWaalsContact O-N 3.14Å
216L98.7Very high98.2Very high2 Ų238.6 Ų38.61%0.0121%0.205CC..Hα-helixtrans-61.8-50.1177.5-75.6171.3000111.3L184 T187 A188 I200 I212 I213 R214 A219 G220 A221 T226L184-L216 HydrophobicContact CB-CD2 4.39Å; L184-L216 HydrophobicContact CD2-CD1 4.35Å; L184-L216 HydrophobicContact CD2-CD2 4.02Å; L184-L216 HydrophobicContact CD2-CG 4.13Å; L184-L216 WeakPolarHBondContact O-CD2 3.42Å; T187-L216 HydrophobicContact CG2-CD2 4.17Å; A188-L216 HydrophobicContact CB-CD2 4.13Å; I200-L216 HydrophobicContact CD1-CD1 3.94Å; I200-L216 HydrophobicContact CG1-CD1 4.03Å; I212-L216 HydrophobicContact CG2-CD1 3.9Å; I212-L216 HydrophobicContact CG2-CG 4.39Å; I212-L216 WeakPolarHBondContact O-CG 3.44Å; I212-L216 PolarHBondContact O-N 3.33Å; I213-L216 PolarHBondContact O-N 3.44Å; R214-L216 VanDerWaalsContact C-N 3.32Å; R214-L216 PolarHBondContact O-N 3.32Å; L216-A219 CarbonylContact O-C 3.13Å; L216-A219 PolarHBondContact O-N 3.37Å; L216-A219 VanDerWaalsContact O-N 3.15Å; L216-G220 PolarHBondContact O-N 2.91Å; L216-G220 VanDerWaalsContact O-N 3.16Å; L216-A221 VanDerWaalsContact C-CB 3.5Å; L216-A221 HydrophobicContact CB-CB 3.7Å; L216-A221 HydrophobicContact CD2-CB 4.3Å; L216-A221 WeakPolarHBondContact O-CB 3.42Å; L216-A221 PolarHBondContact O-N 3.25Å; L216-T226 HydrophobicContact CD1-CG2 4.01Å
217Q98.3Very high98.3Very high87 Ų8737 Ų3741%0.40719%0.194SC..Hα-helixtrans-64.9-41.8-180-72.9179.6-44.400112.4I213 R214 A219 G220 A223I213-Q217 HydrophobicContact CG2-CG 4.24Å; I213-Q217 WeakPolarHBondContact O-CB 3.1Å; I213-Q217 WeakPolarHBondContact O-CG 3.34Å; I213-Q217 PolarHBondContact O-N 3.32Å; R214-Q217 PolarHBondContact O-N 3.46Å; Q217-A219 PolarHBondContact O-N 3.34Å; Q217-G220 PolarHBondContact O-N 2.96Å; Q217-A223 HydrophobicContact CG-CB 4.37Å
218E98.4Very high98.4Very high126 Ų12632.7 Ų32.759%0.58917%0.171SC*.Hα-helixtrans-59.4-30.4174.3-75.6175.4175.300111.8R214R214-E218 HydrophobicContact CG-CG 4.32Å; R214-E218 WeakPolarHBondContact CG-OE1 3.39Å; R214-E218 IonicContact CZ-OE1 3.98Å; R214-E218 IonicContact NE-OE1 3.88Å; R214-E218 PolarHBondContact NE-OE1 2.71Å; R214-E218 IonicContact NH2-OE1 2.83Å; R214-E218 PolarHBondContact NH2-OE1 3.39Å; R214-E218 VanDerWaalsContact NH2-OE1 3.14Å; R214-E218 WeakPolarHBondContact O-CB 3.34Å; R214-E218 VanDerWaalsContact O-CG 3.29Å; R214-E218 WeakPolarHBondContact O-CG 3.14Å; R214-E218 PolarHBondContact O-N 3.19Å
219A98.3Very high98.4Very high20 Ų2032.7 Ų32.717%0.16517%0.17CC..THydrogen-bonded Turntrans-89.62.5175.900000114.3Q185 A188 H189 V215 L216 Q217Q185-A219 HydrophobicContact CG-CB 4.35Å; A188-A219 HydrophobicContact CB-CB 3.47Å; A188-A219 VanDerWaalsContact CB-CB 3.47Å; H189-A219 PolarHBondContact ND1-O 3.49Å; V215-A219 WeakPolarHBondContact O-CB 3.41Å; V215-A219 PolarHBondContact O-N 2.9Å; V215-A219 VanDerWaalsContact O-N 3.14Å; L216-A219 CarbonylContact O-C 3.13Å; L216-A219 PolarHBondContact O-N 3.37Å; L216-A219 VanDerWaalsContact O-N 3.15Å; Q217-A219 PolarHBondContact O-N 3.34Å
220G96.9Very high98.4Very high47 Ų4732.9 Ų32.949%0.48517%0.171SC..THydrogen-bonded Turntrans100.33.3173.200000116S192 L216 Q217S192-G220 PolarHBondContact OG-O 3.15Å; L216-G220 PolarHBondContact O-N 2.91Å; L216-G220 VanDerWaalsContact O-N 3.16Å; Q217-G220 PolarHBondContact O-N 2.96Å
221A98Very high98.3Very high10 Ų1030.3 Ų30.38%0.08316%0.16CC..  trans-64149.8177.800000112.6A188 Q191 L216A188-A221 HydrophobicContact CB-CB 3.74Å; Q191-A221 VanDerWaalsContact OE1-CA 3.31Å; Q191-A221 VanDerWaalsContact OE1-CB 3.25Å; L216-A221 VanDerWaalsContact C-CB 3.5Å; L216-A221 HydrophobicContact CB-CB 3.7Å; L216-A221 HydrophobicContact CD2-CB 4.3Å; L216-A221 WeakPolarHBondContact O-CB 3.42Å; L216-A221 PolarHBondContact O-N 3.25Å
222D98Very high98.2Very high57 Ų5727.5 Ų27.531%0.30515%0.147SC..  trans-94.6105.9172.8179.60.3000110.3S224 K225 T226 K349D222-S224 PolarHBondContact O-N 3.15Å; D222-S224 VanDerWaalsContact O-N 3.12Å; D222-S224 WeakPolarHBondContact OD1-CA 3.41Å; D222-S224 VanDerWaalsContact OD1-CB 3.27Å; D222-S224 WeakPolarHBondContact OD1-CB 3.34Å; D222-S224 PolarHBondContact OD1-N 2.99Å; D222-S224 PolarHBondContact OD1-OG 3.31Å; D222-S224 PolarHBondContact OD2-OG 3.39Å; D222-K225 HydrophobicContact CB-CB 4.48Å; D222-K225 PolarHBondContact O-N 3.16Å; D222-T226 PolarHBondContact O-OG1 3.43Å; D222-K349 IonicContact OD2-NZ 2.96Å; D222-K349 PolarHBondContact OD2-NZ 3.4Å
223A97.8Very high98Very high9 Ų927.5 Ų27.57%0.07415%0.147CC..G310 helixtrans-53.9-33.4177.400000112.5Q217 K225 T226 L247 C249Q217-A223 HydrophobicContact CG-CB 4.37Å; A223-K225 PolarHBondContact O-N 3.36Å; A223-T226 PolarHBondContact O-N 3.14Å; A223-L247 WeakPolarHBondContact CB-O 3.42Å; A223-C249 WeakPolarHBondContact O-CA 3.48Å
224S97.6Very high98Very high33 Ų3327.6 Ų27.623%0.23115%0.147CC..G310 helixtrans-68.4-8.2-18078.90000114.5D222 G248 Y250 R292D222-S224 PolarHBondContact O-N 3.15Å; D222-S224 VanDerWaalsContact O-N 3.12Å; D222-S224 WeakPolarHBondContact OD1-CA 3.41Å; D222-S224 VanDerWaalsContact OD1-CB 3.27Å; D222-S224 WeakPolarHBondContact OD1-CB 3.34Å; D222-S224 PolarHBondContact OD1-N 2.99Å; D222-S224 PolarHBondContact OD1-OG 3.31Å; D222-S224 PolarHBondContact OD2-OG 3.39Å; S224-G248 WeakPolarHBondContact CA-O 3.4Å; S224-Y250 VanDerWaalsContact O-CE2 3.28Å; S224-Y250 WeakPolarHBondContact O-CE2 3.38Å; S224-R292 PolarHBondContact O-NH1 3.33Å
225K97.9Very high97.9Very high11 Ų1120 Ų205%0.04812%0.119CC..G310 helixtrans-115.311.3175-68.4-70.8-77.6175.70113Q191 V198 D222 A223 R344 W345 T347 K349Q191-K225 PolarHBondContact NE2-O 2.91Å; V198-K225 PolarHBondContact N-O 3.27Å; D222-K225 HydrophobicContact CB-CB 4.48Å; D222-K225 PolarHBondContact O-N 3.16Å; A223-K225 PolarHBondContact O-N 3.36Å; K225-R344 PolarHBondContact NZ-O 3.48Å; K225-W345 PolarHBondContact NZ-O 3.11Å; K225-W345 PolarHBondContact O-NE1 3.27Å; K225-T347 PolarHBondContact NZ-O 2.91Å; K225-K349 HydrophobicContact CD-CD 4.46Å; K225-K349 HydrophobicContact CD-CG 4.48Å; K225-K349 HydrophobicContact CG-CD 4.23Å
226T98.8Very high97.8Very high0 Ų023.5 Ų23.50%013%0.133CC..EExtended strand (participates in β ladder)trans-113.5135.8-178.8-61.10000110.2Q191 V198 I200 I213 L216 D222 A223 C249 Y250Q191-T226 PolarHBondContact NE2-OG1 3.16Å; V198-T226 HydrophobicContact CB-CG2 4.41Å; V198-T226 HydrophobicContact CG1-CG2 4.06Å; V198-T226 CarbonylContact O-C 3.49Å; V198-T226 WeakPolarHBondContact O-CA 3.48Å; I200-T226 HydrophobicContact CG1-CG2 3.91Å; I213-T226 HydrophobicContact CD1-CG2 3.97Å; L216-T226 HydrophobicContact CD1-CG2 4.01Å; D222-T226 PolarHBondContact O-OG1 3.43Å; A223-T226 PolarHBondContact O-N 3.14Å; T226-C249 WeakPolarHBondContact O-CB 3.29Å; T226-Y250 PolarHBondContact O-N 2.85Å
227V98.9Very high97.7Very high0 Ų027.4 Ų27.40%015%0.154CC..EExtended strand (participates in β ladder)trans-102.7134172.4177.80000109.1V198 I199 I200 Y250 E252 L294 W345V198-V227 PolarHBondContact O-N 2.76Å; I199-V227 HydrophobicContact CB-CB 4.04Å; I199-V227 HydrophobicContact CD1-CB 4.31Å; I199-V227 HydrophobicContact CD1-CG1 4.03Å; I199-V227 HydrophobicContact CG1-CB 3.93Å; I199-V227 HydrophobicContact CG1-CG1 3.95Å; I200-V227 WeakPolarHBondContact CB-O 3.36Å; I200-V227 PolarHBondContact N-O 2.63Å; V227-Y250 HydrophobicContact CG2-CD2 4.33Å; V227-Y250 HydrophobicContact CG2-CG 4.32Å; V227-E252 HydrophobicContact CG1-CB 3.48Å; V227-E252 VanDerWaalsContact CG1-CB 3.48Å; V227-E252 HydrophobicContact CG1-CG 4.23Å; V227-L294 HydrophobicContact CB-CD1 4.41Å; V227-L294 HydrophobicContact CG1-CD1 4.11Å; V227-L294 HydrophobicContact CG2-CD1 3.38Å; V227-W345 HydrophobicContact CB-CZ2 4.27Å; V227-W345 HydrophobicContact CG2-CD2 3.63Å; V227-W345 HydrophobicContact CG2-CE3 4.19Å; V227-W345 HydrophobicContact CG2-CG 4.07Å; V227-W345 HydrophobicContact CG2-CH2 4.05Å; V227-W345 HydrophobicContact CG2-CZ2 3.49Å; V227-W345 VanDerWaalsContact CG2-CZ2 3.49Å; V227-W345 HydrophobicContact CG2-CZ3 4.38Å
228M98.9Very high97.6Very high0 Ų025.4 Ų25.40%015%0.152CC..EExtended strand (participates in β ladder)trans-102109.5165.4-173.66157.900109I200 P202 P209 I212 I213 L231 F244 Y250 E252I200-M228 HydrophobicContact CB-CE 4.17Å; I200-M228 HydrophobicContact CB-SD 4.21Å; I200-M228 HydrophobicContact CG2-CE 3.92Å; I200-M228 HydrophobicContact CG2-SD 3.95Å; P202-M228 HydrophobicContact CB-SD 3.74Å; P202-M228 HydrophobicContact CG-SD 3.76Å; P209-M228 HydrophobicContact CB-CE 4.14Å; P209-M228 HydrophobicContact CB-CG 3.99Å; P209-M228 HydrophobicContact CB-SD 4Å; P209-M228 HydrophobicContact CG-CG 4.33Å; P209-M228 HydrophobicContact CG-SD 4.26Å; I212-M228 HydrophobicContact CB-CE 4.16Å; I212-M228 HydrophobicContact CG2-CE 4.14Å; I213-M228 HydrophobicContact CD1-CE 3.97Å; I213-M228 HydrophobicContact CG1-CE 3.89Å; M228-L231 HydrophobicContact CG-CD2 3.74Å; M228-L231 HydrophobicContact CG-CG 4.19Å; M228-F244 HydrophobicContact CB-CE1 3.83Å; M228-F244 HydrophobicContact CB-CZ 3.79Å; M228-F244 HydrophobicContact CE-CZ 4.09Å; M228-F244 HydrophobicContact CG-CE1 3.87Å; M228-F244 HydrophobicContact CG-CZ 3.7Å; M228-Y250 PolarHBondContact N-O 3.45Å; M228-E252 WeakPolarHBondContact O-CB 3.11Å; M228-E252 PolarHBondContact O-N 2.68Å; M228-E252 VanDerWaalsContact O-N 3.09Å
229S98.8Very high97.6Very high0 Ų026.8 Ų26.80%016%0.157CC..  trans-75.5167.3178.7-58.70000112H26 I199 I200 P202 L231 E252 D254H26-S229 PolarHBondContact ND1-OG 3.03Å; I199-S229 WeakPolarHBondContact CG1-OG 3.12Å; I200-S229 WeakPolarHBondContact O-CB 3.45Å; I200-S229 PolarHBondContact O-N 3.37Å; I200-S229 PolarHBondContact O-OG 2.8Å; P202-S229 WeakPolarHBondContact CD-O 3.16Å; P202-S229 WeakPolarHBondContact CG-O 3.19Å; S229-L231 PolarHBondContact O-N 3.44Å; S229-L231 VanDerWaalsContact O-N 3.11Å; S229-E252 WeakPolarHBondContact CB-OE2 3.44Å; S229-E252 PolarHBondContact OG-OE2 3.3Å; S229-D254 WeakPolarHBondContact CA-OD2 3.46Å; S229-D254 WeakPolarHBondContact CB-OD2 3.35Å
230H98.3Very high97.6Very high4 Ų427.7 Ų27.72%0.01916%0.157CC..  trans56.529.2169.5-48.9-42.5000115.2H26 E169 H201 P202 D232 R233 T234 D254 D298H26-H230 AromaticContact CE1-CE1 3.61Å; H26-H230 AromaticContact CE1-NE2 3.91Å; E169-H230 IonicContact OE2-NE2 2.74Å; H201-H230 AromaticContact CE1-CD2 3.66Å; H201-H230 AromaticContact CE1-NE2 3.39Å; H201-H230 PolarHBondContact CE1-NE2 2.99Å; H201-H230 AromaticContact CG-CD2 3.96Å; H201-H230 AromaticContact CG-NE2 3.91Å; H201-H230 AromaticContact ND1-CD2 3.36Å; H201-H230 PolarHBondContact ND1-CD2 3.46Å; H201-H230 AromaticContact ND1-NE2 2.96Å; H201-H230 PolarHBondContact ND1-NE2 2.82Å; P202-H230 HydrophobicContact CG-CB 4.34Å; H230-D232 PolarHBondContact O-N 3.44Å; H230-R233 HydrophobicContact CB-CG 3.95Å; H230-R233 PolarHBondContact CD2-NH2 3.39Å; H230-R233 WeakPolarHBondContact O-CG 3.33Å; H230-R233 PolarHBondContact O-N 3.41Å; H230-T234 WeakPolarHBondContact O-CB 3.38Å; H230-T234 PolarHBondContact O-N 2.97Å; H230-T234 PolarHBondContact O-OG1 3.22Å; H230-D254 WeakPolarHBondContact CA-OD1 3.1Å; H230-D254 IonicContact CE1-OD1 2.8Å; H230-D254 IonicContact CE1-OD2 2.73Å; H230-D254 IonicContact CG-OD1 3.33Å; H230-D254 PolarHBondContact N-OD1 3.46Å; H230-D254 PolarHBondContact N-OD2 3.26Å; H230-D254 VanDerWaalsContact ND1-CG 3.33Å; H230-D254 IonicContact ND1-OD1 3.63Å; H230-D254 PolarHBondContact ND1-OD1 2.97Å; H230-D254 IonicContact ND1-OD2 3.95Å; H230-D254 PolarHBondContact ND1-OD2 2.96Å; H230-D298 IonicContact CE1-OD2 3.73Å; H230-D298 PolarHBondContact CE1-OD2 3.13Å
231L98.3Very high97.7Very high0 Ų025.4 Ų25.40%013%0.134CC..G310 helixtrans-64.3-24.1176.3-69.9-179.9000111.6P209 M228 S229 R233 T234 I235 L241 F244 L251 E252P209-L231 HydrophobicContact CG-CD2 4.3Å; M228-L231 HydrophobicContact CG-CD2 3.74Å; M228-L231 HydrophobicContact CG-CG 4.19Å; S229-L231 PolarHBondContact O-N 3.44Å; S229-L231 VanDerWaalsContact O-N 3.11Å; L231-R233 PolarHBondContact O-N 3.34Å; L231-R233 VanDerWaalsContact O-N 3.15Å; L231-T234 PolarHBondContact O-N 2.91Å; L231-I235 HydrophobicContact CD2-CD1 3.98Å; L231-I235 HydrophobicContact CD2-CG1 4.23Å; L231-I235 PolarHBondContact O-N 3.01Å; L231-L241 HydrophobicContact CD1-CD1 4.34Å; L231-F244 HydrophobicContact CD1-CD1 4.37Å; L231-F244 HydrophobicContact CD1-CE1 4.16Å; L231-F244 HydrophobicContact CD2-CD1 4.29Å; L231-F244 HydrophobicContact CD2-CE1 4.06Å; L231-L251 HydrophobicContact CD1-CB 3.62Å; L231-L251 HydrophobicContact CD1-CD2 3.51Å; L231-L251 HydrophobicContact CD1-CG 4.15Å; L231-E252 PolarHBondContact N-O 2.88Å
232D96Very high97.7Very high1 Ų126.7 Ų26.71%0.00514%0.139CC..G310 helixtrans-47.4-41.8172.3-49.1-107.6000112.6H230 Y253 D254 L255 P272 R277H230-D232 PolarHBondContact O-N 3.44Å; D232-Y253 VanDerWaalsContact OD1-CD1 3.29Å; D232-Y253 WeakPolarHBondContact OD1-CD1 3.28Å; D232-Y253 VanDerWaalsContact OD2-CA 3.24Å; D232-Y253 WeakPolarHBondContact OD2-CA 3.17Å; D232-D254 PolarHBondContact OD2-N 3.32Å; D232-D254 VanDerWaalsContact OD2-N 3.15Å; D232-L255 HydrophobicContact CB-CB 4.16Å; D232-L255 HydrophobicContact CB-CD1 4.18Å; D232-L255 HydrophobicContact CB-CG 4.31Å; D232-P272 VanDerWaalsContact O-CG 3.28Å; D232-P272 WeakPolarHBondContact O-CG 3.4Å; D232-R277 WeakPolarHBondContact OD1-CD 3.33Å; D232-R277 WeakPolarHBondContact OD1-CG 3.45Å; D232-R277 IonicContact OD1-NE 2.55Å; D232-R277 PolarHBondContact OD1-NE 3.02Å
233R95.2Very high97.7Very high3 Ų329.3 Ų29.31%0.01115%0.15CC..G310 helixtrans-110.34-171.965151.1177.382.1-7114.1P202 G203 H230 L231 F236 L255 Y263 I269 M271P202-R233 PolarHBondContact O-NH1 2.84Å; P202-R233 PolarHBondContact O-NH2 3.35Å; G203-R233 PolarHBondContact O-NH1 2.9Å; H230-R233 HydrophobicContact CB-CG 3.95Å; H230-R233 PolarHBondContact CD2-NH2 3.39Å; H230-R233 WeakPolarHBondContact O-CG 3.33Å; H230-R233 PolarHBondContact O-N 3.41Å; L231-R233 PolarHBondContact O-N 3.34Å; L231-R233 VanDerWaalsContact O-N 3.15Å; R233-F236 VanDerWaalsContact C-CZ 3.43Å; R233-F236 WeakPolarHBondContact O-CE2 3.46Å; R233-F236 WeakPolarHBondContact O-CZ 3.18Å; R233-L255 HydrophobicContact CB-CD1 4.05Å; R233-L255 HydrophobicContact CG-CD1 3.8Å; R233-Y263 WeakPolarHBondContact CD-OH 3.24Å; R233-Y263 PolarHBondContact NE-OH 3.16Å; R233-I269 HydrophobicContact CB-CG2 4.39Å; R233-I269 WeakPolarHBondContact O-CD1 3.06Å; R233-M271 HydrophobicContact CB-CE 4.03Å; R233-M271 HydrophobicContact CB-SD 4.26Å
234T96.9Very high97.8Very high2 Ų228.9 Ų28.91%0.01215%0.146CC..THydrogen-bonded Turntrans-119.8-42.6-167.1-510000112.7G203 N205 S206 P209 H230 L231G203-T234 WeakPolarHBondContact O-CG2 3.42Å; N205-T234 WeakPolarHBondContact O-CG2 3.41Å; S206-T234 WeakPolarHBondContact CA-O 3.15Å; S206-T234 WeakPolarHBondContact CB-O 3.48Å; P209-T234 HydrophobicContact CG-CG2 3.68Å; H230-T234 WeakPolarHBondContact O-CB 3.38Å; H230-T234 PolarHBondContact O-N 2.97Å; H230-T234 PolarHBondContact O-OG1 3.22Å; L231-T234 PolarHBondContact O-N 2.91Å
235I97.6Very high97.8Very high0 Ų027.5 Ų27.50%014%0.137CC..  trans-120.1107.3178.4-53.1-179.3000109.4P209 F210 L231 E240 L241 F244 R280P209-I235 HydrophobicContact CB-CD1 4.18Å; P209-I235 HydrophobicContact CG-CD1 4.06Å; P209-I235 HydrophobicContact CG-CG1 4.26Å; F210-I235 HydrophobicContact CE2-CD1 4.1Å; L231-I235 HydrophobicContact CD2-CD1 3.98Å; L231-I235 HydrophobicContact CD2-CG1 4.23Å; L231-I235 PolarHBondContact O-N 3.01Å; I235-E240 HydrophobicContact CG2-CB 3.97Å; I235-E240 HydrophobicContact CG2-CG 3.86Å; I235-L241 HydrophobicContact CG2-CB 3.82Å; I235-F244 HydrophobicContact CD1-CB 3.93Å; I235-F244 HydrophobicContact CD1-CD1 4.09Å; I235-F244 HydrophobicContact CD1-CD2 4.43Å; I235-F244 HydrophobicContact CD1-CG 3.87Å; I235-R280 PolarHBondContact O-NH1 3.09Å
236F95.3Very high97.8Very high82 Ų8233.8 Ų33.836%0.3617%0.166SC..  trans-99.4-27.6-177.9-60.2-87.6000113.5R233 I269 P272 R280R233-F236 VanDerWaalsContact C-CZ 3.43Å; R233-F236 WeakPolarHBondContact O-CE2 3.46Å; R233-F236 WeakPolarHBondContact O-CZ 3.18Å; F236-I269 HydrophobicContact CE1-CG2 4.5Å; F236-I269 HydrophobicContact CE2-CD1 4.27Å; F236-I269 HydrophobicContact CE2-CG1 3.84Å; F236-I269 HydrophobicContact CE2-CG2 4.4Å; F236-I269 HydrophobicContact CZ-CB 4.35Å; F236-I269 HydrophobicContact CZ-CD1 4.48Å; F236-I269 HydrophobicContact CZ-CG1 3.96Å; F236-I269 HydrophobicContact CZ-CG2 3.65Å; F236-P272 HydrophobicContact CE1-CG 4.28Å; F236-R280 PolarHBondContact O-NH2 2.84Å
237D96.9Very high97.8Very high84 Ų8436.6 Ų36.645%0.44918%0.181SC..  trans-74.7130.3175.6-177.9-92.6000110.2K239 E240 L241D237-K239 VanDerWaalsContact C-N 3.33Å; D237-K239 PolarHBondContact O-N 2.92Å; D237-K239 WeakPolarHBondContact OD1-CA 3.45Å; D237-K239 VanDerWaalsContact OD1-CB 3.25Å; D237-K239 WeakPolarHBondContact OD1-CB 3.38Å; D237-K239 PolarHBondContact OD1-N 2.8Å; D237-E240 HydrophobicContact CB-CB 3.97Å; D237-E240 PolarHBondContact OD1-N 3Å; D237-L241 WeakPolarHBondContact O-CB 3.41Å; D237-L241 PolarHBondContact O-N 3.27Å
238A97.1Very high97.7Very high44 Ų4437.8 Ų37.836%0.36419%0.193SC..Hα-helixtrans-68.5-33.1-176.500000112.4L242A238-L242 VanDerWaalsContact O-CG 3.25Å; A238-L242 WeakPolarHBondContact O-CG 3.49Å; A238-L242 PolarHBondContact O-N 3.1Å; A238-L242 VanDerWaalsContact O-N 3.08Å
239K98Very high97.7Very high156 Ų15637.8 Ų37.868%0.67819%0.193SC*.Hα-helixtrans-72.6-43.2179.8-59.5176.2179.9173.90110.2D237 L241 L242 Q243D237-K239 VanDerWaalsContact C-N 3.33Å; D237-K239 PolarHBondContact O-N 2.92Å; D237-K239 WeakPolarHBondContact OD1-CA 3.45Å; D237-K239 VanDerWaalsContact OD1-CB 3.25Å; D237-K239 WeakPolarHBondContact OD1-CB 3.38Å; D237-K239 PolarHBondContact OD1-N 2.8Å; K239-L241 VanDerWaalsContact C-N 3.32Å; K239-L241 PolarHBondContact O-N 3.18Å; K239-L242 PolarHBondContact O-N 3.3Å; K239-Q243 VanDerWaalsContact O-CG 3.32Å; K239-Q243 WeakPolarHBondContact O-CG 3.31Å; K239-Q243 PolarHBondContact O-N 2.78Å
240E98.3Very high97.7Very high38 Ų3837.8 Ų37.818%0.17819%0.193CC..Hα-helixtrans-59.7-43.2174-172.1178.9-168.600111.2S206 F210 I235 D237 L242 Q243 F244S206-E240 WeakPolarHBondContact CB-OE1 3.4Å; S206-E240 PolarHBondContact OG-OE1 2.94Å; F210-E240 HydrophobicContact CE2-CG 3.74Å; F210-E240 HydrophobicContact CZ-CG 3.93Å; F210-E240 WeakPolarHBondContact CZ-O 3.24Å; I235-E240 HydrophobicContact CG2-CB 3.97Å; I235-E240 HydrophobicContact CG2-CG 3.86Å; D237-E240 HydrophobicContact CB-CB 3.97Å; D237-E240 PolarHBondContact OD1-N 3Å; E240-L242 PolarHBondContact O-N 2.96Å; E240-Q243 WeakPolarHBondContact O-CB 3.38Å; E240-Q243 PolarHBondContact O-N 2.76Å; E240-F244 PolarHBondContact O-N 3.24Å
241L98.5Very high97.7Very high0 Ų037.6 Ų37.60%019%0.192CC..Hα-helixtrans-61.6-41.2176.2178.360.3000112.5L231 I235 D237 K239 F244 A245 Y253 R280 M283 L284L231-L241 HydrophobicContact CD1-CD1 4.34Å; I235-L241 HydrophobicContact CG2-CB 3.82Å; D237-L241 WeakPolarHBondContact O-CB 3.41Å; D237-L241 PolarHBondContact O-N 3.27Å; K239-L241 VanDerWaalsContact C-N 3.32Å; K239-L241 PolarHBondContact O-N 3.18Å; L241-F244 PolarHBondContact O-N 3.31Å; L241-A245 WeakPolarHBondContact O-CB 3.37Å; L241-A245 PolarHBondContact O-N 2.79Å; L241-Y253 WeakPolarHBondContact CD2-OH 3.28Å; L241-R280 HydrophobicContact CD2-CG 4.17Å; L241-M283 HydrophobicContact CD2-CE 3.81Å; L241-L284 HydrophobicContact CD2-CD1 4.39Å; L241-L284 HydrophobicContact CD2-CD2 4.12Å; L241-L284 HydrophobicContact CD2-CG 4.42Å; L241-L284 HydrophobicContact CG-CD2 4.18Å
242L98.4Very high97.7Very high37 Ų3737.6 Ų37.619%0.19419%0.192CC..Hα-helixtrans-68.8-39.4177.3-67.3171.1000111.8A238 K239 E240 F244 A245 E246 M283 L284 E287 Y289A238-L242 VanDerWaalsContact O-CG 3.25Å; A238-L242 WeakPolarHBondContact O-CG 3.49Å; A238-L242 PolarHBondContact O-N 3.1Å; A238-L242 VanDerWaalsContact O-N 3.08Å; K239-L242 PolarHBondContact O-N 3.3Å; E240-L242 PolarHBondContact O-N 2.96Å; L242-F244 VanDerWaalsContact C-N 3.3Å; L242-F244 PolarHBondContact O-N 3.47Å; L242-A245 WeakPolarHBondContact O-CB 3.29Å; L242-A245 PolarHBondContact O-N 3.45Å; L242-E246 PolarHBondContact O-N 3.2Å; L242-E246 VanDerWaalsContact O-N 3.14Å; L242-M283 HydrophobicContact CD2-SD 4.1Å; L242-L284 HydrophobicContact CD2-CD2 4.18Å; L242-E287 HydrophobicContact CD1-CG 4.17Å; L242-E287 HydrophobicContact CD2-CB 3.77Å; L242-E287 HydrophobicContact CD2-CG 3.76Å; L242-Y289 HydrophobicContact CD2-CD2 4.07Å; L242-Y289 HydrophobicContact CD2-CE2 3.62Å
243Q98.4Very high97.8Very high112 Ų11237.6 Ų37.652%0.52319%0.192SC..Hα-helixtrans-59.9-41.3171.6-72.4172.6-9.700111.7F210 K239 E240 E246F210-Q243 HydrophobicContact CE1-CB 4.44Å; F210-Q243 HydrophobicContact CZ-CB 4.44Å; K239-Q243 VanDerWaalsContact O-CG 3.32Å; K239-Q243 WeakPolarHBondContact O-CG 3.31Å; K239-Q243 PolarHBondContact O-N 2.78Å; E240-Q243 WeakPolarHBondContact O-CB 3.38Å; E240-Q243 PolarHBondContact O-N 2.76Å; Q243-E246 PolarHBondContact O-N 2.91Å
244F98.7Very high98Very high0 Ų037.5 Ų37.50%019%0.192CC..Hα-helixtrans-64.7-41.2174.8-176.4-108.3000111.8P209 F210 I213 M228 L231 I235 E240 L241 L242 E246 L247 C249 L251P209-F244 HydrophobicContact CB-CD2 3.94Å; P209-F244 HydrophobicContact CB-CE1 4.25Å; P209-F244 HydrophobicContact CB-CE2 3.42Å; P209-F244 VanDerWaalsContact CB-CE2 3.42Å; P209-F244 HydrophobicContact CB-CZ 3.61Å; F210-F244 HydrophobicContact CD1-CD2 4.01Å; F210-F244 HydrophobicContact CD2-CD2 4.16Å; F210-F244 HydrophobicContact CE1-CB 3.87Å; F210-F244 HydrophobicContact CE1-CD2 4.03Å; F210-F244 HydrophobicContact CE1-CG 4.47Å; F210-F244 HydrophobicContact CE2-CB 4.04Å; F210-F244 HydrophobicContact CE2-CD2 4.18Å; F210-F244 HydrophobicContact CE2-CG 4.47Å; F210-F244 HydrophobicContact CG-CD2 4.08Å; F210-F244 HydrophobicContact CZ-CB 3.52Å; F210-F244 HydrophobicContact CZ-CD2 4.13Å; F210-F244 HydrophobicContact CZ-CG 4.29Å; I213-F244 HydrophobicContact CG1-CE2 3.76Å; I213-F244 HydrophobicContact CG1-CZ 3.85Å; M228-F244 HydrophobicContact CB-CE1 3.83Å; M228-F244 HydrophobicContact CB-CZ 3.79Å; M228-F244 HydrophobicContact CE-CZ 4.09Å; M228-F244 HydrophobicContact CG-CE1 3.87Å; M228-F244 HydrophobicContact CG-CZ 3.7Å; L231-F244 HydrophobicContact CD1-CD1 4.37Å; L231-F244 HydrophobicContact CD1-CE1 4.16Å; L231-F244 HydrophobicContact CD2-CD1 4.29Å; L231-F244 HydrophobicContact CD2-CE1 4.06Å; I235-F244 HydrophobicContact CD1-CB 3.93Å; I235-F244 HydrophobicContact CD1-CD1 4.09Å; I235-F244 HydrophobicContact CD1-CD2 4.43Å; I235-F244 HydrophobicContact CD1-CG 3.87Å; E240-F244 PolarHBondContact O-N 3.24Å; L241-F244 PolarHBondContact O-N 3.31Å; L242-F244 VanDerWaalsContact C-N 3.3Å; L242-F244 PolarHBondContact O-N 3.47Å; F244-E246 VanDerWaalsContact C-N 3.26Å; F244-E246 PolarHBondContact O-N 2.92Å; F244-L247 HydrophobicContact CD2-CD1 3.75Å; F244-L247 HydrophobicContact CE2-CD1 3.93Å; F244-L247 VanDerWaalsContact O-CB 3.25Å; F244-L247 WeakPolarHBondContact O-CB 3.04Å; F244-L247 WeakPolarHBondContact O-CG 3.49Å; F244-L247 PolarHBondContact O-N 2.54Å; F244-C249 VanDerWaalsContact CE1-SG 3.51Å; F244-C249 WeakPolarHBondContact CZ-SG 3.14Å; F244-L251 HydrophobicContact CD1-CD2 3.67Å; F244-L251 HydrophobicContact CE1-CD2 3.8Å
245A98.4Very high98.1Very high4 Ų437.8 Ų37.83%0.03319%0.193CC..Hα-helixtrans-62-31.2-179.900000113.3L241 L242 L247 G248 L251 Y289L241-A245 WeakPolarHBondContact O-CB 3.37Å; L241-A245 PolarHBondContact O-N 2.79Å; L242-A245 WeakPolarHBondContact O-CB 3.29Å; L242-A245 PolarHBondContact O-N 3.45Å; A245-L247 PolarHBondContact O-N 2.94Å; A245-G248 PolarHBondContact O-N 3.38Å; A245-G248 VanDerWaalsContact O-N 3.09Å; A245-L251 HydrophobicContact CB-CD1 3.74Å; A245-L251 HydrophobicContact CB-CD2 4.32Å; A245-Y289 HydrophobicContact CB-CD1 3.67Å; A245-Y289 HydrophobicContact CB-CD2 4.34Å; A245-Y289 HydrophobicContact CB-CE1 3.37Å; A245-Y289 HydrophobicContact CB-CE2 4.1Å; A245-Y289 HydrophobicContact CB-CG 4.14Å
246E98.1Very high98.1Very high143 Ų14337.8 Ų37.867%0.66819%0.193SC*.THydrogen-bonded Turntrans-60.5-21.5173.9-70176.3178.300113.4L242 Q243 F244 G248 Y289L242-E246 PolarHBondContact O-N 3.2Å; L242-E246 VanDerWaalsContact O-N 3.14Å; Q243-E246 PolarHBondContact O-N 2.91Å; F244-E246 VanDerWaalsContact C-N 3.26Å; F244-E246 PolarHBondContact O-N 2.92Å; E246-G248 PolarHBondContact O-N 3.3Å; E246-Y289 WeakPolarHBondContact CG-OH 3.12Å
247L98Very high98.2Very high59 Ų5934.5 Ų34.531%0.30918%0.182SC..THydrogen-bonded Turntrans-68.9-10.6176.1-55.7179.5000113F210 I213 A223 F244 A245 C249F210-L247 HydrophobicContact CD1-CD1 4.02Å; F210-L247 HydrophobicContact CE1-CD1 4.47Å; I213-L247 HydrophobicContact CB-CD1 4.23Å; I213-L247 HydrophobicContact CG2-CB 4.16Å; I213-L247 HydrophobicContact CG2-CD1 3.95Å; A223-L247 WeakPolarHBondContact CB-O 3.42Å; F244-L247 HydrophobicContact CD2-CD1 3.75Å; F244-L247 HydrophobicContact CE2-CD1 3.93Å; F244-L247 VanDerWaalsContact O-CB 3.25Å; F244-L247 WeakPolarHBondContact O-CB 3.04Å; F244-L247 WeakPolarHBondContact O-CG 3.49Å; F244-L247 PolarHBondContact O-N 2.54Å; A245-L247 PolarHBondContact O-N 2.94Å; L247-C249 PolarHBondContact O-N 3.01Å
248G97.3Very high98.1Very high24 Ų2431 Ų3125%0.24716%0.164CC..  trans82.97.1167.300000115.8S224 A245 E246S224-G248 WeakPolarHBondContact CA-O 3.4Å; A245-G248 PolarHBondContact O-N 3.38Å; A245-G248 VanDerWaalsContact O-N 3.09Å; E246-G248 PolarHBondContact O-N 3.3Å
249C98.4Very high97.7Very high0 Ų032.3 Ų32.30%016%0.163CC..  trans-75.4167.1170.572.50000112.5I213 A223 T226 F244 L247I213-C249 HydrophobicContact CD1-CB 3.95Å; A223-C249 WeakPolarHBondContact O-CA 3.48Å; T226-C249 WeakPolarHBondContact O-CB 3.29Å; F244-C249 VanDerWaalsContact CE1-SG 3.51Å; F244-C249 WeakPolarHBondContact CZ-SG 3.14Å; L247-C249 PolarHBondContact O-N 3.01Å
250Y98.9Very high97Very high1 Ų125.9 Ų25.90%0.00413%0.134CC..EExtended strand (participates in β ladder)trans-78135.6169.6-72.8-86.9000110.2S224 T226 V227 M228 D291 R292 L294 N341 W345S224-Y250 VanDerWaalsContact O-CE2 3.28Å; S224-Y250 WeakPolarHBondContact O-CE2 3.38Å; T226-Y250 PolarHBondContact O-N 2.85Å; V227-Y250 HydrophobicContact CG2-CD2 4.33Å; V227-Y250 HydrophobicContact CG2-CG 4.32Å; M228-Y250 PolarHBondContact N-O 3.45Å; Y250-D291 WeakPolarHBondContact CE1-O 3.37Å; Y250-R292 CarbonylContact C-O 3.59Å; Y250-R292 VanDerWaalsContact CA-O 3.32Å; Y250-R292 WeakPolarHBondContact CA-O 3.36Å; Y250-L294 HydrophobicContact CD1-CD1 4.08Å; Y250-L294 HydrophobicContact CD1-CD2 4.16Å; Y250-L294 HydrophobicContact CD1-CG 3.86Å; Y250-L294 HydrophobicContact CG-CD1 4Å; Y250-L294 HydrophobicContact CG-CG 4.24Å; Y250-N341 HydrophobicContact CE1-CB 3.95Å; Y250-W345 HydrophobicContact CD2-CB 4.29Å; Y250-W345 HydrophobicContact CD2-CG 4.27Å; Y250-W345 HydrophobicContact CE1-CB 4.5Å; Y250-W345 HydrophobicContact CE2-CB 3.72Å; Y250-W345 HydrophobicContact CE2-CG 4.1Å
251L98.9Very high96.3Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-96.1106.9176.7-51.7176.3000108.1L231 F244 A245 Y253 L284 R292 I293 L294L231-L251 HydrophobicContact CD1-CB 3.62Å; L231-L251 HydrophobicContact CD1-CD2 3.51Å; L231-L251 HydrophobicContact CD1-CG 4.15Å; F244-L251 HydrophobicContact CD1-CD2 3.67Å; F244-L251 HydrophobicContact CE1-CD2 3.8Å; A245-L251 HydrophobicContact CB-CD1 3.74Å; A245-L251 HydrophobicContact CB-CD2 4.32Å; L251-Y253 HydrophobicContact CB-CE2 4.5Å; L251-L284 HydrophobicContact CD1-CD1 3.82Å; L251-L284 HydrophobicContact CD1-CD2 3.8Å; L251-L284 HydrophobicContact CD1-CG 4.42Å; L251-R292 PolarHBondContact N-O 2.83Å; L251-I293 WeakPolarHBondContact O-CA 3.45Å; L251-L294 PolarHBondContact O-N 2.91Å
252E98.9Very high95.7Very high0 Ų035 Ų350%018%0.181CC..EExtended strand (participates in β ladder)trans-99.7131.2-177.8179.3173.1-111.700111.9T25 H26 I199 V227 M228 S229 L231 D254 L294T25-E252 WeakPolarHBondContact CB-OE1 3.32Å; T25-E252 PolarHBondContact OG1-OE1 3.1Å; H26-E252 IonicContact CG-OE2 3.85Å; H26-E252 IonicContact ND1-OE2 3.17Å; H26-E252 PolarHBondContact ND1-OE2 3.21Å; I199-E252 VanDerWaalsContact CD1-OE2 3.3Å; I199-E252 WeakPolarHBondContact CD1-OE2 3.38Å; V227-E252 HydrophobicContact CG1-CB 3.48Å; V227-E252 VanDerWaalsContact CG1-CB 3.48Å; V227-E252 HydrophobicContact CG1-CG 4.23Å; M228-E252 WeakPolarHBondContact O-CB 3.11Å; M228-E252 PolarHBondContact O-N 2.68Å; M228-E252 VanDerWaalsContact O-N 3.09Å; S229-E252 WeakPolarHBondContact CB-OE2 3.44Å; S229-E252 PolarHBondContact OG-OE2 3.3Å; L231-E252 PolarHBondContact N-O 2.88Å; E252-D254 HydrophobicContact CG-CB 3.76Å; E252-D254 WeakPolarHBondContact CG-OD2 3.27Å; E252-D254 VanDerWaalsContact OE2-OD2 3.07Å; E252-L294 HydrophobicContact CB-CB 4.18Å; E252-L294 HydrophobicContact CG-CB 4.24Å
253Y98.8Very high95.3Very high1 Ų133.7 Ų33.70%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-10984.6171.6-73.4-97.7000108.5D232 L241 L251 F256 R280 I281 L284 I293 L294 M295 A296D232-Y253 VanDerWaalsContact OD1-CD1 3.29Å; D232-Y253 WeakPolarHBondContact OD1-CD1 3.28Å; D232-Y253 VanDerWaalsContact OD2-CA 3.24Å; D232-Y253 WeakPolarHBondContact OD2-CA 3.17Å; L241-Y253 WeakPolarHBondContact CD2-OH 3.28Å; L251-Y253 HydrophobicContact CB-CE2 4.5Å; Y253-F256 WeakPolarHBondContact O-CD2 3.16Å; Y253-R280 HydrophobicContact CE1-CB 4.27Å; Y253-R280 HydrophobicContact CE1-CG 3.67Å; Y253-R280 WeakPolarHBondContact OH-CD 3.22Å; Y253-R280 WeakPolarHBondContact OH-CG 3.42Å; Y253-I281 HydrophobicContact CD1-CG1 4.41Å; Y253-I281 HydrophobicContact CD2-CG1 4.01Å; Y253-I281 HydrophobicContact CE2-CG1 4.46Å; Y253-I281 HydrophobicContact CG-CD1 4.21Å; Y253-I281 HydrophobicContact CG-CG1 4.01Å; Y253-L284 HydrophobicContact CE2-CD1 3.56Å; Y253-I293 HydrophobicContact CD2-CG2 4.5Å; Y253-L294 PolarHBondContact N-O 2.69Å; Y253-M295 WeakPolarHBondContact O-CA 3.3Å; Y253-M295 WeakPolarHBondContact O-CB 3.1Å; Y253-A296 PolarHBondContact O-N 3.27Å; Y253-A296 VanDerWaalsContact O-N 3.09Å
254D98.7Very high95.1Very high0 Ų029.7 Ų29.70%016%0.155CC..  trans-103.14.9-169.649.539.9000113.4H26 S229 H230 D232 E252 A296 H297 D298H26-D254 HydrophobicContact CB-CB 3.79Å; H26-D254 IonicContact ND1-OD2 3.56Å; H26-D254 PolarHBondContact ND1-OD2 2.89Å; S229-D254 WeakPolarHBondContact CA-OD2 3.46Å; S229-D254 WeakPolarHBondContact CB-OD2 3.35Å; H230-D254 WeakPolarHBondContact CA-OD1 3.1Å; H230-D254 IonicContact CE1-OD1 2.8Å; H230-D254 IonicContact CE1-OD2 2.73Å; H230-D254 IonicContact CG-OD1 3.33Å; H230-D254 PolarHBondContact N-OD1 3.46Å; H230-D254 PolarHBondContact N-OD2 3.26Å; H230-D254 VanDerWaalsContact ND1-CG 3.33Å; H230-D254 IonicContact ND1-OD1 3.63Å; H230-D254 PolarHBondContact ND1-OD1 2.97Å; H230-D254 IonicContact ND1-OD2 3.95Å; H230-D254 PolarHBondContact ND1-OD2 2.96Å; D232-D254 PolarHBondContact OD2-N 3.32Å; D232-D254 VanDerWaalsContact OD2-N 3.15Å; E252-D254 HydrophobicContact CG-CB 3.76Å; E252-D254 WeakPolarHBondContact CG-OD2 3.27Å; E252-D254 VanDerWaalsContact OE2-OD2 3.07Å; D254-A296 CarbonylContact C-O 3.59Å; D254-A296 WeakPolarHBondContact CA-O 3.44Å; D254-A296 HydrophobicContact CB-CB 4.01Å; D254-A296 CarbonylContact O-C 3.53Å; D254-H297 CarbonylContact O-C 3.45Å; D254-H297 WeakPolarHBondContact O-CA 3.12Å; D254-H297 PolarHBondContact O-N 3.08Å; D254-D298 HydrophobicContact CB-CB 4.41Å; D254-D298 WeakPolarHBondContact O-CB 3.37Å; D254-D298 PolarHBondContact O-N 3.31Å
255L98.2Very high94.7Very high9 Ų932.1 Ų32.15%0.04717%0.166CC..  trans-102.123.5-177.3-61-172.2000114.2D232 R233 G257 T258 M271 R277 D298D232-L255 HydrophobicContact CB-CB 4.16Å; D232-L255 HydrophobicContact CB-CD1 4.18Å; D232-L255 HydrophobicContact CB-CG 4.31Å; R233-L255 HydrophobicContact CB-CD1 4.05Å; R233-L255 HydrophobicContact CG-CD1 3.8Å; L255-G257 PolarHBondContact O-N 3.31Å; L255-T258 VanDerWaalsContact O-CB 3.23Å; L255-T258 WeakPolarHBondContact O-CB 3.37Å; L255-T258 PolarHBondContact O-N 2.89Å; L255-M271 HydrophobicContact CD1-CE 4.1Å; L255-M271 HydrophobicContact CD1-SD 3.86Å; L255-R277 PolarHBondContact O-NE 3.3Å; L255-R277 PolarHBondContact O-NH1 3Å; L255-R277 PolarHBondContact O-NH2 3.05Å; L255-D298 HydrophobicContact CD2-CB 4.01Å; L255-D298 WeakPolarHBondContact CD2-OD2 3.47Å
256F98.6Very high94.4Very high0 Ų036.2 Ų36.20%018%0.181CC..THydrogen-bonded Turntrans-58.1133.4178-81.5-81.1000112.4Y253 T258 D274 R277 I278 I281 M295 A296 R304 I316 I320Y253-F256 WeakPolarHBondContact O-CD2 3.16Å; F256-T258 VanDerWaalsContact C-N 3.27Å; F256-D274 WeakPolarHBondContact CA-OD1 3.17Å; F256-D274 HydrophobicContact CD1-CB 4.11Å; F256-D274 WeakPolarHBondContact CD1-OD1 3.36Å; F256-D274 HydrophobicContact CE1-CB 4.4Å; F256-R277 HydrophobicContact CD1-CB 4.43Å; F256-R277 HydrophobicContact CE1-CB 3.67Å; F256-R277 HydrophobicContact CE2-CB 4.35Å; F256-R277 HydrophobicContact CZ-CB 3.63Å; F256-I278 HydrophobicContact CE1-CG1 4.13Å; F256-I281 HydrophobicContact CE2-CD1 3.95Å; F256-I281 HydrophobicContact CZ-CD1 3.72Å; F256-M295 HydrophobicContact CD2-CB 4.34Å; F256-M295 HydrophobicContact CD2-CE 3.73Å; F256-M295 HydrophobicContact CE1-CE 4.37Å; F256-M295 HydrophobicContact CE2-CB 4.01Å; F256-M295 HydrophobicContact CE2-CE 3.37Å; F256-M295 HydrophobicContact CG-CE 4.37Å; F256-M295 HydrophobicContact CZ-CE 3.72Å; F256-A296 PolarHBondContact N-O 3.45Å; F256-R304 PolarHBondContact O-NH2 3Å; F256-R304 VanDerWaalsContact O-NH2 3.08Å; F256-I316 HydrophobicContact CB-CD1 4.24Å; F256-I316 HydrophobicContact CB-CG1 4.11Å; F256-I316 HydrophobicContact CD2-CD1 4.15Å; F256-I316 HydrophobicContact CD2-CG1 4.39Å; F256-I316 HydrophobicContact CG-CD1 4.39Å; F256-I316 HydrophobicContact CG-CG1 4.23Å; F256-I320 HydrophobicContact CD1-CB 4.45Å; F256-I320 HydrophobicContact CD1-CD1 3.55Å; F256-I320 HydrophobicContact CD1-CG1 3.65Å; F256-I320 HydrophobicContact CD1-CG2 3.96Å; F256-I320 HydrophobicContact CE1-CB 4.49Å; F256-I320 HydrophobicContact CE1-CD1 3.96Å; F256-I320 HydrophobicContact CE1-CG1 4.13Å; F256-I320 HydrophobicContact CE1-CG2 3.56Å; F256-I320 HydrophobicContact CG-CG1 4.28Å; F256-I320 HydrophobicContact CZ-CG2 4.04Å
257G96.6Very high94Very high12 Ų1233.2 Ų33.212%0.12417%0.174CC..THydrogen-bonded Turntrans83.4-6.9-174.500000114.8L255 E259 D274L255-G257 PolarHBondContact O-N 3.31Å; G257-E259 PolarHBondContact O-N 2.68Å; G257-D274 PolarHBondContact N-OD1 3.12Å; G257-D274 PolarHBondContact N-OD2 3.14Å
258T94.5Very high93.6Very high11 Ų1137 Ų377%0.06719%0.194CC..  trans-88.8100.6175.7-60.10000110.5L255 F256 F260 M271 R277 R304L255-T258 VanDerWaalsContact O-CB 3.23Å; L255-T258 WeakPolarHBondContact O-CB 3.37Å; L255-T258 PolarHBondContact O-N 2.89Å; F256-T258 VanDerWaalsContact C-N 3.27Å; T258-F260 HydrophobicContact CG2-CD1 3.86Å; T258-F260 HydrophobicContact CG2-CE1 3.18Å; T258-F260 HydrophobicContact CG2-CZ 3.59Å; T258-M271 HydrophobicContact CG2-CG 4.28Å; T258-M271 HydrophobicContact CG2-SD 4.5Å; T258-M271 WeakPolarHBondContact O-CG 3.32Å; T258-R277 PolarHBondContact O-NH1 3.24Å; T258-R277 PolarHBondContact O-NH2 2.95Å; T258-R304 PolarHBondContact OG1-NH1 3.11Å; T258-R304 PolarHBondContact OG1-NH2 3.09Å
259E88.3Confident93.2Very high72 Ų7236.3 Ų36.334%0.33619%0.185SC..  trans-135.1103.6178.5-56.5-173.3167.400109.5K61 G257 S273 D274K61-E259 WeakPolarHBondContact CE-O 3.47Å; G257-E259 PolarHBondContact O-N 2.68Å; E259-S273 VanDerWaalsContact OE1-CA 3.23Å; E259-S273 WeakPolarHBondContact OE1-CA 3.42Å; E259-S273 VanDerWaalsContact OE1-CB 3.28Å; E259-S273 WeakPolarHBondContact OE1-CB 3.34Å; E259-D274 PolarHBondContact OE1-N 2.95Å
260F85.3Confident92.8Very high20 Ų2042.6 Ų42.69%0.08822%0.218CC..  trans-140.9151.7173.344.2-114.7000110.5P64 T258 Y263 M271P64-F260 HydrophobicContact CG-CD1 4.16Å; P64-F260 HydrophobicContact CG-CE1 4.07Å; T258-F260 HydrophobicContact CG2-CD1 3.86Å; T258-F260 HydrophobicContact CG2-CE1 3.18Å; T258-F260 HydrophobicContact CG2-CZ 3.59Å; F260-Y263 AromaticContact CE2-CD2 3.49Å; F260-Y263 HydrophobicContact CE2-CD2 3.49Å; F260-Y263 VanDerWaalsContact CE2-CD2 3.49Å; F260-Y263 HydrophobicContact CE2-CE2 4.48Å; F260-Y263 AromaticContact CE2-CG 3.99Å; F260-Y263 HydrophobicContact CE2-CG 3.99Å; F260-Y263 AromaticContact CZ-CD2 3.65Å; F260-Y263 HydrophobicContact CZ-CD2 3.65Å; F260-Y263 HydrophobicContact CZ-CE2 4.25Å; F260-M271 HydrophobicContact CD2-CB 4.36Å; F260-M271 HydrophobicContact CE2-CB 4.21Å; F260-M271 HydrophobicContact CE2-CE 3.86Å; F260-M271 HydrophobicContact CE2-CG 4.32Å; F260-M271 HydrophobicContact CZ-CE 3.93Å
261L82.9Confident92.5Very high147 Ų14743.5 Ų43.577%0.7722%0.223SC*.SBendtrans-71-34.3-175.9-178.365.5000112.4
262H85.1Confident92.3Very high84 Ų8444.1 Ų44.139%0.38923%0.227SC..  trans-123.5102.8-172.8-177.864.6000110.6Q264H262-Q264 PolarHBondContact O-N 3.11Å; H262-Q264 VanDerWaalsContact O-N 3.12Å
263Y91.4Very high92.2Very high9 Ų945.5 Ų45.54%0.03524%0.237CC..  trans-76100172.6-174-139000110.4R204 R233 F260 F265 Y266 I269 M271R204-Y263 HydrophobicContact CG-CE1 3.87Å; R204-Y263 PolarHBondContact NE-OH 3.01Å; R204-Y263 PolarHBondContact NH2-OH 3.18Å; R233-Y263 WeakPolarHBondContact CD-OH 3.24Å; R233-Y263 PolarHBondContact NE-OH 3.16Å; F260-Y263 AromaticContact CE2-CD2 3.49Å; F260-Y263 HydrophobicContact CE2-CD2 3.49Å; F260-Y263 VanDerWaalsContact CE2-CD2 3.49Å; F260-Y263 HydrophobicContact CE2-CE2 4.48Å; F260-Y263 AromaticContact CE2-CG 3.99Å; F260-Y263 HydrophobicContact CE2-CG 3.99Å; F260-Y263 AromaticContact CZ-CD2 3.65Å; F260-Y263 HydrophobicContact CZ-CD2 3.65Å; F260-Y263 HydrophobicContact CZ-CE2 4.25Å; Y263-F265 HydrophobicContact CD2-CD2 4.43Å; Y263-F265 HydrophobicContact CE1-CB 4.11Å; Y263-F265 HydrophobicContact CE2-CB 4.16Å; Y263-F265 AromaticContact CE2-CD2 3.54Å; Y263-F265 HydrophobicContact CE2-CD2 3.54Å; Y263-F265 HydrophobicContact CE2-CE2 4.39Å; Y263-F265 HydrophobicContact CE2-CG 4.28Å; Y263-F265 AromaticContact CZ-CD2 3.74Å; Y263-F265 PolarHBondContact O-N 2.9Å; Y263-Y266 CarbonylContact O-C 3.54Å; Y263-Y266 PolarHBondContact O-N 2.97Å; Y263-I269 HydrophobicContact CD1-CB 4.15Å; Y263-I269 HydrophobicContact CD1-CD1 4.42Å; Y263-I269 HydrophobicContact CD1-CG2 4.16Å; Y263-M271 HydrophobicContact CD1-CE 4.44Å; Y263-M271 HydrophobicContact CD2-CE 4.01Å; Y263-M271 HydrophobicContact CE2-CE 4.26Å; Y263-M271 HydrophobicContact CG-CE 4.1Å
264Q92.4Very high92.1Very high28 Ų2846.2 Ų46.213%0.13124%0.241CC..THydrogen-bonded Turntrans-58.4-26.2-170.5-59.5-179.4-105.100114.2C38 N63 Y65 S66 H262C38-Q264 HydrophobicContact CB-CB 4.47Å; N63-Q264 VanDerWaalsContact CA-OE1 3.3Å; Y65-Q264 HydrophobicContact CD2-CB 4.2Å; Y65-Q264 HydrophobicContact CD2-CG 4.41Å; S66-Q264 PolarHBondContact OG-NE2 3.2Å; H262-Q264 PolarHBondContact O-N 3.11Å; H262-Q264 VanDerWaalsContact O-N 3.12Å
265F91.9Very high92.1Very high51 Ų5149.5 Ų49.522%0.22426%0.258CS..THydrogen-bonded Turntrans-83.2-19178.4-57.2-46.2000113.9Y33 C36 Y65 Y263Y33-F265 HydrophobicContact CE1-CE2 4.37Å; Y33-F265 HydrophobicContact CE1-CZ 4.28Å; C36-F265 HydrophobicContact CB-CE1 3.9Å; C36-F265 HydrophobicContact CB-CZ 3.59Å; C36-F265 WeakPolarHBondContact O-CE1 3.19Å; Y65-F265 AromaticContact CD1-CE2 3.9Å; Y65-F265 HydrophobicContact CD1-CE2 3.9Å; Y65-F265 AromaticContact CD1-CZ 3.45Å; Y65-F265 HydrophobicContact CD1-CZ 3.45Å; Y65-F265 VanDerWaalsContact CD1-CZ 3.45Å; Y65-F265 HydrophobicContact CD2-CD2 4.35Å; Y65-F265 HydrophobicContact CD2-CE1 4.26Å; Y65-F265 AromaticContact CD2-CE2 3.63Å; Y65-F265 HydrophobicContact CD2-CE2 3.63Å; Y65-F265 AromaticContact CD2-CZ 3.54Å; Y65-F265 HydrophobicContact CD2-CZ 3.54Å; Y65-F265 AromaticContact CE1-CE2 3.64Å; Y65-F265 HydrophobicContact CE1-CE2 3.64Å; Y65-F265 AromaticContact CE1-CZ 3.68Å; Y65-F265 HydrophobicContact CE1-CZ 3.68Å; Y65-F265 AromaticContact CE2-CD2 3.99Å; Y65-F265 HydrophobicContact CE2-CD2 3.99Å; Y65-F265 AromaticContact CE2-CE2 3.32Å; Y65-F265 HydrophobicContact CE2-CE2 3.32Å; Y65-F265 AromaticContact CE2-CZ 3.74Å; Y65-F265 HydrophobicContact CE2-CZ 3.74Å; Y65-F265 HydrophobicContact CG-CE1 4.13Å; Y65-F265 AromaticContact CG-CE2 3.9Å; Y65-F265 HydrophobicContact CG-CE2 3.9Å; Y65-F265 AromaticContact CG-CZ 3.38Å; Y65-F265 HydrophobicContact CG-CZ 3.38Å; Y65-F265 AromaticContact CZ-CE2 3.33Å; Y65-F265 AromaticContact CZ-CZ 3.82Å; Y263-F265 HydrophobicContact CD2-CD2 4.43Å; Y263-F265 HydrophobicContact CE1-CB 4.11Å; Y263-F265 HydrophobicContact CE2-CB 4.16Å; Y263-F265 AromaticContact CE2-CD2 3.54Å; Y263-F265 HydrophobicContact CE2-CD2 3.54Å; Y263-F265 HydrophobicContact CE2-CE2 4.39Å; Y263-F265 HydrophobicContact CE2-CG 4.28Å; Y263-F265 AromaticContact CZ-CD2 3.74Å; Y263-F265 PolarHBondContact O-N 2.9Å
266Y91.9Very high92.1Very high89 Ų8954.5 Ų54.535%0.34928%0.281SS..  trans-15986.1179.6-156.9-85000109.9R204 Y263 D268 I269R204-Y266 HydrophobicContact CB-CD2 3.72Å; R204-Y266 HydrophobicContact CB-CE2 4.33Å; R204-Y266 HydrophobicContact CB-CG 3.98Å; R204-Y266 HydrophobicContact CG-CD2 4.42Å; R204-Y266 HydrophobicContact CG-CG 4.44Å; Y263-Y266 CarbonylContact O-C 3.54Å; Y263-Y266 PolarHBondContact O-N 2.97Å; Y266-D268 HydrophobicContact CD1-CB 4.15Å; Y266-D268 HydrophobicContact CE1-CB 3.89Å; Y266-D268 PolarHBondContact O-N 2.92Å; Y266-I269 HydrophobicContact CD1-CB 4.17Å; Y266-I269 HydrophobicContact CD1-CD1 3.46Å; Y266-I269 VanDerWaalsContact CD1-CD1 3.46Å; Y266-I269 HydrophobicContact CD1-CG1 3.54Å; Y266-I269 HydrophobicContact CE1-CD1 4.14Å; Y266-I269 HydrophobicContact CE1-CG1 4.12Å; Y266-I269 HydrophobicContact CG-CD1 3.82Å; Y266-I269 HydrophobicContact CG-CG1 4.35Å; Y266-I269 PolarHBondContact O-N 2.87Å
267P89.5Confident92Very high80 Ų8054.6 Ų54.652%0.51928%0.281SS..THydrogen-bonded Turntrans-58.2-23.3-170.6-30.938.3000116.1I269P267-I269 PolarHBondContact O-N 2.99Å
268D89.3Confident92.1Very high140 Ų14054.1 Ų54.175%0.74928%0.276SS*.THydrogen-bonded Turntrans-79.6-5.8-179.4-60-30.7000113Y266Y266-D268 HydrophobicContact CD1-CB 4.15Å; Y266-D268 HydrophobicContact CE1-CB 3.89Å; Y266-D268 PolarHBondContact O-N 2.92Å
269I89.4Confident92.3Very high9 Ų955.9 Ų55.95%0.04629%0.291CS..  trans-90.7119.5175.7-78.6163.8000110R204 R233 F236 Y263 Y266 P267 M271R204-I269 HydrophobicContact CB-CD1 4.12Å; R204-I269 HydrophobicContact CG-CD1 4.47Å; R233-I269 HydrophobicContact CB-CG2 4.39Å; R233-I269 WeakPolarHBondContact O-CD1 3.06Å; F236-I269 HydrophobicContact CE1-CG2 4.5Å; F236-I269 HydrophobicContact CE2-CD1 4.27Å; F236-I269 HydrophobicContact CE2-CG1 3.84Å; F236-I269 HydrophobicContact CE2-CG2 4.4Å; F236-I269 HydrophobicContact CZ-CB 4.35Å; F236-I269 HydrophobicContact CZ-CD1 4.48Å; F236-I269 HydrophobicContact CZ-CG1 3.96Å; F236-I269 HydrophobicContact CZ-CG2 3.65Å; Y263-I269 HydrophobicContact CD1-CB 4.15Å; Y263-I269 HydrophobicContact CD1-CD1 4.42Å; Y263-I269 HydrophobicContact CD1-CG2 4.16Å; Y266-I269 HydrophobicContact CD1-CB 4.17Å; Y266-I269 HydrophobicContact CD1-CD1 3.46Å; Y266-I269 VanDerWaalsContact CD1-CD1 3.46Å; Y266-I269 HydrophobicContact CD1-CG1 3.54Å; Y266-I269 HydrophobicContact CE1-CD1 4.14Å; Y266-I269 HydrophobicContact CE1-CG1 4.12Å; Y266-I269 HydrophobicContact CG-CD1 3.82Å; Y266-I269 HydrophobicContact CG-CG1 4.35Å; Y266-I269 PolarHBondContact O-N 2.87Å; P267-I269 PolarHBondContact O-N 2.99Å; I269-M271 PolarHBondContact O-N 2.61Å
270D88.5Confident92.8Very high132 Ų13254.8 Ų54.871%0.70628%0.284SS*.  trans-78.8112.4162.9-66.7-37.3000109.1P272D270-P272 WeakPolarHBondContact O-CD 3.37Å
271M93.1Very high93.4Very high20 Ų2053.9 Ų53.910%0.09928%0.28CS..PPolyproline II helixtrans-68.2123.1179.6-17259.963.200109.9R233 L255 T258 F260 Y263 I269 R277R233-M271 HydrophobicContact CB-CE 4.03Å; R233-M271 HydrophobicContact CB-SD 4.26Å; L255-M271 HydrophobicContact CD1-CE 4.1Å; L255-M271 HydrophobicContact CD1-SD 3.86Å; T258-M271 HydrophobicContact CG2-CG 4.28Å; T258-M271 HydrophobicContact CG2-SD 4.5Å; T258-M271 WeakPolarHBondContact O-CG 3.32Å; F260-M271 HydrophobicContact CD2-CB 4.36Å; F260-M271 HydrophobicContact CE2-CB 4.21Å; F260-M271 HydrophobicContact CE2-CE 3.86Å; F260-M271 HydrophobicContact CE2-CG 4.32Å; F260-M271 HydrophobicContact CZ-CE 3.93Å; Y263-M271 HydrophobicContact CD1-CE 4.44Å; Y263-M271 HydrophobicContact CD2-CE 4.01Å; Y263-M271 HydrophobicContact CE2-CE 4.26Å; Y263-M271 HydrophobicContact CG-CE 4.1Å; I269-M271 PolarHBondContact O-N 2.61Å; M271-R277 PolarHBondContact SD-NH2 3.49Å; M271-R277 VanDerWaalsContact SD-NH2 3.39Å
272P94.6Very high94.2Very high13 Ų1352 Ų528%0.08426%0.263CS..PPolyproline II helixtrans-62149.1178.3-23.134000112D232 F236 D270 E276 R277D232-P272 VanDerWaalsContact O-CG 3.28Å; D232-P272 WeakPolarHBondContact O-CG 3.4Å; F236-P272 HydrophobicContact CE1-CG 4.28Å; D270-P272 WeakPolarHBondContact O-CD 3.37Å; P272-E276 HydrophobicContact CB-CB 4Å; P272-R277 HydrophobicContact CB-CG 4.37Å; P272-R277 PolarHBondContact O-NH1 2.75Å; P272-R277 PolarHBondContact O-NH2 3.45Å; P272-R277 VanDerWaalsContact O-NH2 3.09Å
273S96.4Very high94.8Very high29 Ų2950.1 Ų50.120%0.20326%0.255CS..PPolyproline II helixtrans-75.2164.3164.264.70000111.7E259 N275 E276 R277E259-S273 VanDerWaalsContact OE1-CA 3.23Å; E259-S273 WeakPolarHBondContact OE1-CA 3.42Å; E259-S273 VanDerWaalsContact OE1-CB 3.28Å; E259-S273 WeakPolarHBondContact OE1-CB 3.34Å; S273-N275 PolarHBondContact O-N 2.78Å; S273-E276 WeakPolarHBondContact CB-OE2 3.5Å; S273-E276 PolarHBondContact N-OE2 3.04Å; S273-E276 WeakPolarHBondContact O-CB 3.4Å; S273-E276 PolarHBondContact O-N 3.44Å; S273-E276 WeakPolarHBondContact OG-CG 3.44Å; S273-E276 PolarHBondContact OG-N 2.63Å; S273-E276 PolarHBondContact OG-OE2 3.09Å; S273-R277 PolarHBondContact O-N 3.06Å
274D98.1Very high95.1Very high16 Ų1649.7 Ų49.79%0.08625%0.253CS..Hα-helixtrans-62.1-30.2175.7-70.1-20.9000112.7F256 G257 E259 R277 I278 H315 I320F256-D274 WeakPolarHBondContact CA-OD1 3.17Å; F256-D274 HydrophobicContact CD1-CB 4.11Å; F256-D274 WeakPolarHBondContact CD1-OD1 3.36Å; F256-D274 HydrophobicContact CE1-CB 4.4Å; G257-D274 PolarHBondContact N-OD1 3.12Å; G257-D274 PolarHBondContact N-OD2 3.14Å; E259-D274 PolarHBondContact OE1-N 2.95Å; D274-R277 PolarHBondContact O-N 2.9Å; D274-R277 IonicContact OD1-NH1 3.73Å; D274-R277 PolarHBondContact OD1-NH1 3.1Å; D274-R277 VanDerWaalsContact OD1-NH1 3.16Å; D274-I278 VanDerWaalsContact O-CG1 3.23Å; D274-I278 WeakPolarHBondContact O-CG1 3.4Å; D274-I278 PolarHBondContact O-N 2.92Å; D274-H315 IonicContact OD2-NE2 3.37Å; D274-H315 PolarHBondContact OD2-NE2 2.79Å; D274-I320 HydrophobicContact CB-CD1 3.77Å
275N97.8Very high95.4Very high68 Ų6849.2 Ų49.236%0.36425%0.252SS..Hα-helixtrans-67.4-36.9174-78.4-70.2000112.2S273 A279 K323 R327S273-N275 PolarHBondContact O-N 2.78Å; N275-A279 WeakPolarHBondContact O-CB 3.29Å; N275-A279 PolarHBondContact O-N 3.06Å; N275-K323 WeakPolarHBondContact OD1-CE 3.06Å; N275-R327 PolarHBondContact OD1-NH2 3.41Å
276E97.4Very high95.7Very high114 Ų11452.6 Ų52.653%0.53327%0.272SS..Hα-helixtrans-71-40.3176.2-72.8161.2131.900111P272 S273 I278 A279 R280P272-E276 HydrophobicContact CB-CB 4Å; S273-E276 WeakPolarHBondContact CB-OE2 3.5Å; S273-E276 PolarHBondContact N-OE2 3.04Å; S273-E276 WeakPolarHBondContact O-CB 3.4Å; S273-E276 PolarHBondContact O-N 3.44Å; S273-E276 WeakPolarHBondContact OG-CG 3.44Å; S273-E276 PolarHBondContact OG-N 2.63Å; S273-E276 PolarHBondContact OG-OE2 3.09Å; E276-I278 PolarHBondContact O-N 2.96Å; E276-A279 PolarHBondContact O-N 3.12Å; E276-R280 WeakPolarHBondContact O-CB 3.36Å; E276-R280 PolarHBondContact O-N 3Å
277R98.2Very high96.1Very high2 Ų253.8 Ų53.81%0.00828%0.28CS..Hα-helixtrans-56.4-48.9170.7-67.6-178.8177.687.114.4111.8D232 L255 F256 T258 M271 P272 S273 D274 A279 R280 I281D232-R277 WeakPolarHBondContact OD1-CD 3.33Å; D232-R277 WeakPolarHBondContact OD1-CG 3.45Å; D232-R277 IonicContact OD1-NE 2.55Å; D232-R277 PolarHBondContact OD1-NE 3.02Å; L255-R277 PolarHBondContact O-NE 3.3Å; L255-R277 PolarHBondContact O-NH1 3Å; L255-R277 PolarHBondContact O-NH2 3.05Å; F256-R277 HydrophobicContact CD1-CB 4.43Å; F256-R277 HydrophobicContact CE1-CB 3.67Å; F256-R277 HydrophobicContact CE2-CB 4.35Å; F256-R277 HydrophobicContact CZ-CB 3.63Å; T258-R277 PolarHBondContact O-NH1 3.24Å; T258-R277 PolarHBondContact O-NH2 2.95Å; M271-R277 PolarHBondContact SD-NH2 3.49Å; M271-R277 VanDerWaalsContact SD-NH2 3.39Å; P272-R277 HydrophobicContact CB-CG 4.37Å; P272-R277 PolarHBondContact O-NH1 2.75Å; P272-R277 PolarHBondContact O-NH2 3.45Å; P272-R277 VanDerWaalsContact O-NH2 3.09Å; S273-R277 PolarHBondContact O-N 3.06Å; D274-R277 PolarHBondContact O-N 2.9Å; D274-R277 IonicContact OD1-NH1 3.73Å; D274-R277 PolarHBondContact OD1-NH1 3.1Å; D274-R277 VanDerWaalsContact OD1-NH1 3.16Å; R277-A279 VanDerWaalsContact C-N 3.32Å; R277-A279 PolarHBondContact O-N 3.47Å; R277-R280 PolarHBondContact O-N 3.43Å; R277-I281 WeakPolarHBondContact O-CG1 3.49Å; R277-I281 PolarHBondContact O-N 3.34Å
278I98.7Very high96.5Very high3 Ų352.5 Ų52.52%0.01528%0.282CS..Hα-helixtrans-59.9-42.4176.4-68.6167.1000111.3F256 D274 E276 R280 I281 R282 I320 K323 M324 R327 I329F256-I278 HydrophobicContact CE1-CG1 4.13Å; D274-I278 VanDerWaalsContact O-CG1 3.23Å; D274-I278 WeakPolarHBondContact O-CG1 3.4Å; D274-I278 PolarHBondContact O-N 2.92Å; E276-I278 PolarHBondContact O-N 2.96Å; I278-R280 VanDerWaalsContact C-N 3.31Å; I278-R280 PolarHBondContact O-N 2.96Å; I278-I281 PolarHBondContact O-N 3.28Å; I278-R282 WeakPolarHBondContact O-CB 3.29Å; I278-R282 PolarHBondContact O-N 3.49Å; I278-I320 HydrophobicContact CD1-CG2 4.08Å; I278-I320 HydrophobicContact CG1-CG2 4.11Å; I278-K323 HydrophobicContact CD1-CB 3.86Å; I278-K323 HydrophobicContact CD1-CG 3.54Å; I278-M324 HydrophobicContact CD1-CG 4.13Å; I278-M324 HydrophobicContact CG1-CG 3.88Å; I278-M324 HydrophobicContact CG2-CG 4.02Å; I278-R327 HydrophobicContact CG2-CB 4.33Å; I278-R327 HydrophobicContact CG2-CG 4.24Å; I278-I329 HydrophobicContact CG2-CD1 4.08Å
279A98.4Very high96.9Very high47 Ų4748.1 Ų48.139%0.38826%0.255SS..Hα-helixtrans-63.6-39178.400000111.9N275 E276 R277 R282 M283N275-A279 WeakPolarHBondContact O-CB 3.29Å; N275-A279 PolarHBondContact O-N 3.06Å; E276-A279 PolarHBondContact O-N 3.12Å; R277-A279 VanDerWaalsContact C-N 3.32Å; R277-A279 PolarHBondContact O-N 3.47Å; A279-R282 PolarHBondContact O-N 3.18Å; A279-M283 PolarHBondContact O-N 3.42Å
280R98Very high97.3Very high50 Ų5048.9 Ų48.919%0.18926%0.259CS..Hα-helixtrans-70.3-42.6177.4179.3161.6-87.6169.2-3112.6I235 F236 L241 Y253 E276 R277 I278 R282 M283 L284I235-R280 PolarHBondContact O-NH1 3.09Å; F236-R280 PolarHBondContact O-NH2 2.84Å; L241-R280 HydrophobicContact CD2-CG 4.17Å; Y253-R280 HydrophobicContact CE1-CB 4.27Å; Y253-R280 HydrophobicContact CE1-CG 3.67Å; Y253-R280 WeakPolarHBondContact OH-CD 3.22Å; Y253-R280 WeakPolarHBondContact OH-CG 3.42Å; E276-R280 WeakPolarHBondContact O-CB 3.36Å; E276-R280 PolarHBondContact O-N 3Å; R277-R280 PolarHBondContact O-N 3.43Å; I278-R280 VanDerWaalsContact C-N 3.31Å; I278-R280 PolarHBondContact O-N 2.96Å; R280-R282 VanDerWaalsContact C-N 3.29Å; R280-R282 PolarHBondContact O-N 2.91Å; R280-M283 HydrophobicContact CG-CE 4.47Å; R280-M283 WeakPolarHBondContact O-CB 3.44Å; R280-M283 PolarHBondContact O-N 2.86Å; R280-M283 VanDerWaalsContact O-N 3.14Å; R280-L284 PolarHBondContact O-N 3.5Å
281I98.6Very high97.8Very high0 Ų044.9 Ų44.90%024%0.238CC..Hα-helixtrans-57.5-44.5170.7-72.4173.4000110.6Y253 F256 R277 I278 M283 L284 I285 I293 M324 I337Y253-I281 HydrophobicContact CD1-CG1 4.41Å; Y253-I281 HydrophobicContact CD2-CG1 4.01Å; Y253-I281 HydrophobicContact CE2-CG1 4.46Å; Y253-I281 HydrophobicContact CG-CD1 4.21Å; Y253-I281 HydrophobicContact CG-CG1 4.01Å; F256-I281 HydrophobicContact CE2-CD1 3.95Å; F256-I281 HydrophobicContact CZ-CD1 3.72Å; R277-I281 WeakPolarHBondContact O-CG1 3.49Å; R277-I281 PolarHBondContact O-N 3.34Å; I278-I281 PolarHBondContact O-N 3.28Å; I281-M283 VanDerWaalsContact C-N 3.31Å; I281-M283 PolarHBondContact O-N 3.04Å; I281-L284 PolarHBondContact O-N 3.44Å; I281-I285 HydrophobicContact CG2-CD1 3.8Å; I281-I285 HydrophobicContact CG2-CG1 4.41Å; I281-I285 VanDerWaalsContact O-CG1 3.32Å; I281-I285 WeakPolarHBondContact O-CG1 3.37Å; I281-I285 PolarHBondContact O-N 3.15Å; I281-I293 HydrophobicContact CG1-CG2 4.3Å; I281-I293 HydrophobicContact CG2-CD1 4.27Å; I281-I293 HydrophobicContact CG2-CG2 4.39Å; I281-M324 HydrophobicContact CG2-CE 4.06Å; I281-I337 HydrophobicContact CG2-CD1 3.88Å
282R98.6Very high98.1Very high108 Ų10847 Ų4741%0.40825%0.245SC..Hα-helixtrans-61.3-39.3176.5-171.9178.366.2170.14.4112.4I278 A279 R280 I285 N286 I329I278-R282 WeakPolarHBondContact O-CB 3.29Å; I278-R282 PolarHBondContact O-N 3.49Å; A279-R282 PolarHBondContact O-N 3.18Å; R280-R282 VanDerWaalsContact C-N 3.29Å; R280-R282 PolarHBondContact O-N 2.91Å; R282-I285 PolarHBondContact O-N 2.96Å; R282-N286 PolarHBondContact O-N 3.36Å; R282-N286 PolarHBondContact O-ND2 3.31Å; R282-N286 PolarHBondContact O-OD1 3.46Å; R282-I329 HydrophobicContact CB-CD1 4.1Å; R282-I329 HydrophobicContact CB-CG1 4.34Å; R282-I329 HydrophobicContact CG-CG1 4.31Å
283M98.4Very high98.3Very high45 Ų4546.4 Ų46.422%0.22224%0.241CC..Hα-helixtrans-59.8-50174.4178.1-78.3-67.400110.4L241 L242 A279 R280 I281 I285 N286 E287L241-M283 HydrophobicContact CD2-CE 3.81Å; L242-M283 HydrophobicContact CD2-SD 4.1Å; A279-M283 PolarHBondContact O-N 3.42Å; R280-M283 HydrophobicContact CG-CE 4.47Å; R280-M283 WeakPolarHBondContact O-CB 3.44Å; R280-M283 PolarHBondContact O-N 2.86Å; R280-M283 VanDerWaalsContact O-N 3.14Å; I281-M283 VanDerWaalsContact C-N 3.31Å; I281-M283 PolarHBondContact O-N 3.04Å; M283-I285 VanDerWaalsContact C-N 3.31Å; M283-I285 PolarHBondContact O-N 3.26Å; M283-N286 WeakPolarHBondContact O-CB 3.21Å; M283-N286 PolarHBondContact O-N 3.15Å; M283-E287 WeakPolarHBondContact O-CG 3.33Å; M283-E287 PolarHBondContact O-N 2.88Å; M283-E287 HydrophobicContact SD-CG 3.92Å
284L98.7Very high98.4Very high0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-60.1-38.7177.6-71.2171.4000113L241 L242 L251 Y253 R280 I281 E287 G288 Y289 I293L241-L284 HydrophobicContact CD2-CD1 4.39Å; L241-L284 HydrophobicContact CD2-CD2 4.12Å; L241-L284 HydrophobicContact CD2-CG 4.42Å; L241-L284 HydrophobicContact CG-CD2 4.18Å; L242-L284 HydrophobicContact CD2-CD2 4.18Å; L251-L284 HydrophobicContact CD1-CD1 3.82Å; L251-L284 HydrophobicContact CD1-CD2 3.8Å; L251-L284 HydrophobicContact CD1-CG 4.42Å; Y253-L284 HydrophobicContact CE2-CD1 3.56Å; R280-L284 PolarHBondContact O-N 3.5Å; I281-L284 PolarHBondContact O-N 3.44Å; L284-E287 CarbonylContact O-C 2.69Å; L284-E287 PolarHBondContact O-N 3Å; L284-G288 PolarHBondContact O-N 3.15Å; L284-Y289 HydrophobicContact CD2-CD2 4.37Å; L284-Y289 PolarHBondContact O-N 2.87Å; L284-I293 HydrophobicContact CB-CD1 3.66Å; L284-I293 HydrophobicContact CB-CG1 4.33Å; L284-I293 HydrophobicContact CD1-CD1 4.37Å; L284-I293 HydrophobicContact CD1-CG1 4.34Å
285I98.6Very high98.4Very high18 Ų1844.3 Ų44.39%0.09223%0.227CC..Hα-helixtrans-61.7-45.3173.9-68.7166.2000110.8I281 R282 M283 E287 G288 E290 I293 I329 K333 I337I281-I285 HydrophobicContact CG2-CD1 3.8Å; I281-I285 HydrophobicContact CG2-CG1 4.41Å; I281-I285 VanDerWaalsContact O-CG1 3.32Å; I281-I285 WeakPolarHBondContact O-CG1 3.37Å; I281-I285 PolarHBondContact O-N 3.15Å; R282-I285 PolarHBondContact O-N 2.96Å; M283-I285 VanDerWaalsContact C-N 3.31Å; M283-I285 PolarHBondContact O-N 3.26Å; I285-E287 PolarHBondContact O-N 3.28Å; I285-G288 PolarHBondContact O-N 3Å; I285-E290 HydrophobicContact CG1-CB 4.12Å; I285-E290 HydrophobicContact CG2-CB 4.42Å; I285-I293 HydrophobicContact CG1-CD1 3.84Å; I285-I329 HydrophobicContact CD1-CD1 4.43Å; I285-I329 HydrophobicContact CD1-CG2 3.87Å; I285-K333 HydrophobicContact CD1-CB 4.26Å; I285-K333 HydrophobicContact CG2-CD 4.14Å; I285-K333 HydrophobicContact CG2-CG 4.28Å; I285-I337 HydrophobicContact CD1-CD1 4.16Å
286N98.3Very high98.5Very high122 Ų12241.1 Ų41.165%0.65221%0.21SC*.Hα-helixtrans-64.5-31179.6-69.4-14.1000112.5R282 M283 G288R282-N286 PolarHBondContact O-N 3.36Å; R282-N286 PolarHBondContact O-ND2 3.31Å; R282-N286 PolarHBondContact O-OD1 3.46Å; M283-N286 WeakPolarHBondContact O-CB 3.21Å; M283-N286 PolarHBondContact O-N 3.15Å; N286-G288 PolarHBondContact O-N 3.13Å
287E98.5Very high98.5Very high113 Ų11335.7 Ų35.753%0.52818%0.184SC..THydrogen-bonded Turntrans-82.61.8174.3-61.8-62150.100112.9L242 M283 L284 I285 Y289L242-E287 HydrophobicContact CD1-CG 4.17Å; L242-E287 HydrophobicContact CD2-CB 3.77Å; L242-E287 HydrophobicContact CD2-CG 3.76Å; M283-E287 WeakPolarHBondContact O-CG 3.33Å; M283-E287 PolarHBondContact O-N 2.88Å; M283-E287 HydrophobicContact SD-CG 3.92Å; L284-E287 CarbonylContact O-C 2.69Å; L284-E287 PolarHBondContact O-N 3Å; I285-E287 PolarHBondContact O-N 3.28Å; E287-Y289 HydrophobicContact CB-CD2 3.84Å; E287-Y289 HydrophobicContact CB-CE2 3.97Å
288G98.2Very high98.5Very high54 Ų5436 Ų3656%0.55719%0.187SC*.THydrogen-bonded Turntrans91.210.3172.300000116L284 I285 N286 E290L284-G288 PolarHBondContact O-N 3.15Å; I285-G288 PolarHBondContact O-N 3Å; N286-G288 PolarHBondContact O-N 3.13Å; G288-E290 PolarHBondContact O-N 3.08Å
289Y98.5Very high98.5Very high47 Ų4735.9 Ų35.918%0.18419%0.186CC..  trans-91.313.7-177-65.4-81.7000114.7L242 A245 E246 L284 E287 D291 R292 I293L242-Y289 HydrophobicContact CD2-CD2 4.07Å; L242-Y289 HydrophobicContact CD2-CE2 3.62Å; A245-Y289 HydrophobicContact CB-CD1 3.67Å; A245-Y289 HydrophobicContact CB-CD2 4.34Å; A245-Y289 HydrophobicContact CB-CE1 3.37Å; A245-Y289 HydrophobicContact CB-CE2 4.1Å; A245-Y289 HydrophobicContact CB-CG 4.14Å; E246-Y289 WeakPolarHBondContact CG-OH 3.12Å; L284-Y289 HydrophobicContact CD2-CD2 4.37Å; L284-Y289 PolarHBondContact O-N 2.87Å; E287-Y289 HydrophobicContact CB-CD2 3.84Å; E287-Y289 HydrophobicContact CB-CE2 3.97Å; Y289-D291 PolarHBondContact O-N 3.29Å; Y289-R292 WeakPolarHBondContact O-CA 3.41Å; Y289-R292 PolarHBondContact O-N 3.14Å; Y289-I293 WeakPolarHBondContact O-CG1 3.48Å
290E98.3Very high98.5Very high25 Ų2534 Ų3412%0.11717%0.169CC..G310 helixtrans-55-28.5-176.965.8-165.5-133.600115.3I285 G288 R292 K333 K336 N341I285-E290 HydrophobicContact CG1-CB 4.12Å; I285-E290 HydrophobicContact CG2-CB 4.42Å; G288-E290 PolarHBondContact O-N 3.08Å; E290-R292 PolarHBondContact O-N 3.44Å; E290-K333 HydrophobicContact CB-CD 4.31Å; E290-K333 HydrophobicContact CG-CD 4.5Å; E290-K333 IonicContact OE1-NZ 2.66Å; E290-K333 PolarHBondContact OE1-NZ 3.12Å; E290-K333 VanDerWaalsContact OE2-CD 3.25Å; E290-K333 WeakPolarHBondContact OE2-CD 3.22Å; E290-K333 VanDerWaalsContact OE2-CE 3.28Å; E290-K333 WeakPolarHBondContact OE2-CE 3.24Å; E290-K333 IonicContact OE2-NZ 2.57Å; E290-K333 PolarHBondContact OE2-NZ 2.65Å; E290-K336 HydrophobicContact CB-CD 4.42Å; E290-K336 HydrophobicContact CG-CD 3.92Å; E290-K336 WeakPolarHBondContact OE1-CE 3.33Å; E290-K336 IonicContact OE1-NZ 3.4Å; E290-K336 PolarHBondContact OE1-NZ 3.07Å; E290-N341 PolarHBondContact O-ND2 2.85Å
291D98.5Very high98.5Very high49 Ų4931.7 Ų31.726%0.26216%0.16SC..G310 helixtrans-81.83178-81-72.6000113.4Y250 Y289 K336 N341 R344Y250-D291 WeakPolarHBondContact CE1-O 3.37Å; Y289-D291 PolarHBondContact O-N 3.29Å; D291-K336 IonicContact OD1-NZ 2.68Å; D291-K336 IonicContact OD2-NZ 2.75Å; D291-K336 PolarHBondContact OD2-NZ 2.8Å; D291-N341 WeakPolarHBondContact CA-OD1 3.44Å; D291-N341 PolarHBondContact O-OD1 3.08Å; D291-R344 PolarHBondContact O-NH1 3.43Å; D291-R344 IonicContact OD1-CZ 3.52Å; D291-R344 IonicContact OD1-NH1 2.77Å; D291-R344 PolarHBondContact OD1-NH1 2.92Å; D291-R344 IonicContact OD1-NH2 2.61Å; D291-R344 PolarHBondContact OD1-NH2 3.17Å
292R98.6Very high98.4Very high65 Ų6532 Ų3225%0.24516%0.162CC..G310 helixtrans-128.311.9-177.4-63.4-62.3178.3-169.42.8113.3S224 Y250 L251 Y289 E290S224-R292 PolarHBondContact O-NH1 3.33Å; Y250-R292 CarbonylContact C-O 3.59Å; Y250-R292 VanDerWaalsContact CA-O 3.32Å; Y250-R292 WeakPolarHBondContact CA-O 3.36Å; L251-R292 PolarHBondContact N-O 2.83Å; Y289-R292 WeakPolarHBondContact O-CA 3.41Å; Y289-R292 PolarHBondContact O-N 3.14Å; E290-R292 PolarHBondContact O-N 3.44Å
293I98.9Very high98.4Very high0 Ų027.8 Ų27.80%015%0.147CC..EExtended strand (participates in β ladder)trans-101.4133.5178.6-60.3165.5000109.6L251 Y253 I281 L284 I285 Y289 I337 N341L251-I293 WeakPolarHBondContact O-CA 3.45Å; Y253-I293 HydrophobicContact CD2-CG2 4.5Å; I281-I293 HydrophobicContact CG1-CG2 4.3Å; I281-I293 HydrophobicContact CG2-CD1 4.27Å; I281-I293 HydrophobicContact CG2-CG2 4.39Å; L284-I293 HydrophobicContact CB-CD1 3.66Å; L284-I293 HydrophobicContact CB-CG1 4.33Å; L284-I293 HydrophobicContact CD1-CD1 4.37Å; L284-I293 HydrophobicContact CD1-CG1 4.34Å; I285-I293 HydrophobicContact CG1-CD1 3.84Å; Y289-I293 WeakPolarHBondContact O-CG1 3.48Å; I293-I337 HydrophobicContact CB-CD1 4.39Å; I293-I337 HydrophobicContact CB-CG1 4.07Å; I293-I337 HydrophobicContact CG2-CD1 4.08Å; I293-I337 HydrophobicContact CG2-CG1 4.1Å; I293-I337 HydrophobicContact CG2-CG2 4.14Å; I293-N341 PolarHBondContact O-ND2 3.07Å
294L98.9Very high98.3Very high0 Ų026.3 Ų26.30%014%0.139CC..EExtended strand (participates in β ladder)trans-123.2160.6168.7-61177.8000109.5T25 V227 Y250 L251 E252 Y253 N341 P342 W345T25-L294 HydrophobicContact CG2-CB 4.33Å; T25-L294 HydrophobicContact CG2-CD1 4.15Å; T25-L294 HydrophobicContact CG2-CD2 4.09Å; T25-L294 HydrophobicContact CG2-CG 4.42Å; V227-L294 HydrophobicContact CB-CD1 4.41Å; V227-L294 HydrophobicContact CG1-CD1 4.11Å; V227-L294 HydrophobicContact CG2-CD1 3.38Å; Y250-L294 HydrophobicContact CD1-CD1 4.08Å; Y250-L294 HydrophobicContact CD1-CD2 4.16Å; Y250-L294 HydrophobicContact CD1-CG 3.86Å; Y250-L294 HydrophobicContact CG-CD1 4Å; Y250-L294 HydrophobicContact CG-CG 4.24Å; L251-L294 PolarHBondContact O-N 2.91Å; E252-L294 HydrophobicContact CB-CB 4.18Å; E252-L294 HydrophobicContact CG-CB 4.24Å; Y253-L294 PolarHBondContact N-O 2.69Å; L294-N341 HydrophobicContact CD2-CB 3.59Å; L294-P342 HydrophobicContact CD2-CG 3.91Å; L294-W345 HydrophobicContact CD1-CD2 4.09Å; L294-W345 HydrophobicContact CD1-CE3 3.79Å; L294-W345 HydrophobicContact CD1-CZ3 4.25Å
295M98.4Very high98.3Very high1 Ų126.3 Ų26.31%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-148.8149178.569.7-176.5-54.800112.7T25 Y253 F256 I316 I320 M324 I337 L338T25-M295 PolarHBondContact OG1-O 2.9Å; Y253-M295 WeakPolarHBondContact O-CA 3.3Å; Y253-M295 WeakPolarHBondContact O-CB 3.1Å; F256-M295 HydrophobicContact CD2-CB 4.34Å; F256-M295 HydrophobicContact CD2-CE 3.73Å; F256-M295 HydrophobicContact CE1-CE 4.37Å; F256-M295 HydrophobicContact CE2-CB 4.01Å; F256-M295 HydrophobicContact CE2-CE 3.37Å; F256-M295 HydrophobicContact CG-CE 4.37Å; F256-M295 HydrophobicContact CZ-CE 3.72Å; M295-I316 HydrophobicContact CB-CD1 4.48Å; M295-I316 HydrophobicContact CE-CB 4.32Å; M295-I316 HydrophobicContact CE-CD1 3.73Å; M295-I316 HydrophobicContact CE-CG1 3.65Å; M295-I316 HydrophobicContact CE-CG2 3.7Å; M295-I316 HydrophobicContact CG-CD1 4.15Å; M295-I316 HydrophobicContact SD-CG2 3.99Å; M295-I320 HydrophobicContact CE-CB 4.49Å; M295-I320 HydrophobicContact CE-CG2 3.71Å; M295-M324 HydrophobicContact CE-SD 4.47Å; M295-I337 HydrophobicContact CB-CG2 4.27Å; M295-I337 HydrophobicContact CG-CG2 3.75Å; M295-I337 HydrophobicContact SD-CG2 3.79Å; M295-L338 HydrophobicContact CG-CD2 3.42Å; M295-L338 VanDerWaalsContact CG-CD2 3.42Å; M295-L338 HydrophobicContact CG-CG 4.29Å; M295-L338 HydrophobicContact SD-CD1 4.21Å; M295-L338 HydrophobicContact SD-CD2 3.59Å; M295-L338 VanDerWaalsContact SD-CD2 3.59Å; M295-L338 HydrophobicContact SD-CG 3.93Å
296A98.8Very high98.3Very high0 Ų028.7 Ų28.70%015%0.151CC..  trans-161.1-169.5177.900000110.5H26 Y253 D254 F256 I316H26-A296 HydrophobicContact CB-CB 3.65Å; H26-A296 VanDerWaalsContact N-CB 3.26Å; H26-A296 WeakPolarHBondContact O-CB 3.11Å; Y253-A296 PolarHBondContact O-N 3.27Å; Y253-A296 VanDerWaalsContact O-N 3.09Å; D254-A296 CarbonylContact C-O 3.59Å; D254-A296 WeakPolarHBondContact CA-O 3.44Å; D254-A296 HydrophobicContact CB-CB 4.01Å; D254-A296 CarbonylContact O-C 3.53Å; F256-A296 PolarHBondContact N-O 3.45Å; A296-I316 WeakPolarHBondContact O-CD1 3.44Å
297H98.8Very high98.2Very high0 Ų028.7 Ų28.70%015%0.145CC..  trans-114.1-20.9177.7-44.188.2000113.6E27 D254 V299 R304 Y313 I316E27-H297 WeakPolarHBondContact OE1-CB 3.44Å; E27-H297 IonicContact OE1-CE1 3.8Å; E27-H297 IonicContact OE1-CG 3.16Å; E27-H297 PolarHBondContact OE1-N 3.02Å; E27-H297 IonicContact OE1-ND1 2.67Å; E27-H297 PolarHBondContact OE1-ND1 3.01Å; E27-H297 IonicContact OE2-ND1 2.57Å; D254-H297 CarbonylContact O-C 3.45Å; D254-H297 WeakPolarHBondContact O-CA 3.12Å; D254-H297 PolarHBondContact O-N 3.08Å; H297-V299 HydrophobicContact CB-CG2 3.82Å; H297-V299 PolarHBondContact O-N 2.92Å; H297-R304 PolarHBondContact O-NH1 3.49Å; H297-R304 PolarHBondContact O-NH2 3.24Å; H297-Y313 PolarHBondContact CE1-O 3.22Å; H297-I316 WeakPolarHBondContact NE2-CB 3.4Å; H297-I316 WeakPolarHBondContact NE2-CG1 3.29Å; H297-I316 PolarHBondContact NE2-N 3.18Å
298D98.5Very high98.1Very high10 Ų1025.1 Ų25.15%0.05313%0.127CC..  trans53.246.4-171.5173.219.1000109.6H26 E27 H28 H230 D254 L255 H300 R304H26-D298 WeakPolarHBondContact O-CA 3.47Å; H26-D298 PolarHBondContact O-N 3.14Å; E27-D298 PolarHBondContact OE2-N 3.06Å; H28-D298 IonicContact CD2-OD1 3.92Å; H28-D298 PolarHBondContact CD2-OD1 2.88Å; H28-D298 IonicContact NE2-OD1 3.14Å; H28-D298 PolarHBondContact NE2-OD1 3.28Å; H230-D298 IonicContact CE1-OD2 3.73Å; H230-D298 PolarHBondContact CE1-OD2 3.13Å; D254-D298 HydrophobicContact CB-CB 4.41Å; D254-D298 WeakPolarHBondContact O-CB 3.37Å; D254-D298 PolarHBondContact O-N 3.31Å; L255-D298 HydrophobicContact CD2-CB 4.01Å; L255-D298 WeakPolarHBondContact CD2-OD2 3.47Å; D298-H300 VanDerWaalsContact CG-ND1 3.3Å; D298-H300 PolarHBondContact O-N 2.91Å; D298-H300 PolarHBondContact O-ND1 3.41Å; D298-H300 IonicContact OD1-CE1 2.83Å; D298-H300 IonicContact OD1-CG 3.93Å; D298-H300 IonicContact OD1-ND1 3.4Å; D298-H300 PolarHBondContact OD1-ND1 3.48Å; D298-H300 IonicContact OD2-CE1 3.49Å; D298-H300 IonicContact OD2-ND1 2.77Å; D298-H300 PolarHBondContact OD2-ND1 3.47Å; D298-R304 VanDerWaalsContact C-NH1 3.34Å; D298-R304 PolarHBondContact O-NH1 2.85Å
299V98.6Very high98Very high0 Ų025.8 Ų25.80%013%0.134CC..  trans-66.1111.5176.91680000108.5E27 H28 H297 R304 L305 Y313E27-V299 PolarHBondContact OE2-N 3.24Å; H28-V299 WeakPolarHBondContact CB-O 3.46Å; H28-V299 PolarHBondContact N-O 2.92Å; H297-V299 HydrophobicContact CB-CG2 3.82Å; H297-V299 PolarHBondContact O-N 2.92Å; V299-R304 HydrophobicContact CG1-CB 4.16Å; V299-R304 HydrophobicContact CG2-CB 4.35Å; V299-L305 HydrophobicContact CG1-CD2 4Å; V299-Y313 HydrophobicContact CB-CD1 4.08Å; V299-Y313 HydrophobicContact CB-CE1 3.49Å; V299-Y313 VanDerWaalsContact CB-CE1 3.49Å; V299-Y313 HydrophobicContact CG1-CE1 3.78Å; V299-Y313 HydrophobicContact CG2-CD1 4.17Å; V299-Y313 HydrophobicContact CG2-CE1 4.08Å
300H97.5Very high97.9Very high7 Ų724.5 Ų24.53%0.03214%0.135CC..  trans-134.96.5-174.667.5-107.7000114H28 M31 Y33 Y65 D298H28-H300 HydrophobicContact CB-CB 4.3Å; M31-H300 HydrophobicContact CE-CB 3.49Å; M31-H300 VanDerWaalsContact CE-CB 3.49Å; M31-H300 HydrophobicContact SD-CB 4.39Å; Y33-H300 AromaticContact CD1-CD2 3.95Å; Y65-H300 AromaticContact CE1-NE2 3.44Å; Y65-H300 WeakPolarHBondContact CE1-NE2 3.37Å; Y65-H300 AromaticContact CZ-NE2 3.58Å; Y65-H300 PolarHBondContact OH-CE1 3.39Å; Y65-H300 PolarHBondContact OH-NE2 3.29Å; D298-H300 VanDerWaalsContact CG-ND1 3.3Å; D298-H300 PolarHBondContact O-N 2.91Å; D298-H300 PolarHBondContact O-ND1 3.41Å; D298-H300 IonicContact OD1-CE1 2.83Å; D298-H300 IonicContact OD1-CG 3.93Å; D298-H300 IonicContact OD1-ND1 3.4Å; D298-H300 PolarHBondContact OD1-ND1 3.48Å; D298-H300 IonicContact OD2-CE1 3.49Å; D298-H300 IonicContact OD2-ND1 2.77Å; D298-H300 PolarHBondContact OD2-ND1 3.47Å
301T97.6Very high97.9Very high2 Ų225 Ų251%0.01214%0.138CC..SBendtrans-137.9150-179.344.60000112.3N70 L71 N303 R304N70-T301 CarbonylContact O-C 3.35Å; N70-T301 VanDerWaalsContact O-CA 3.31Å; N70-T301 WeakPolarHBondContact O-CA 3.39Å; N70-T301 WeakPolarHBondContact O-CB 3.3Å; L71-T301 HydrophobicContact CD2-CG2 3.81Å; T301-N303 WeakPolarHBondContact CB-OD1 3.37Å; T301-N303 PolarHBondContact O-N 3.34Å; T301-N303 PolarHBondContact OG1-OD1 3.15Å; T301-N303 VanDerWaalsContact OG1-OD1 3.1Å; T301-R304 PolarHBondContact O-N 3.41Å; T301-R304 VanDerWaalsContact OG1-CD 3.29Å; T301-R304 WeakPolarHBondContact OG1-CD 3.17Å; T301-R304 WeakPolarHBondContact OG1-CG 3.49Å
302K97.9Very high97.9Very high7 Ų722.7 Ų22.73%0.0313%0.125CC..G310 helixtrans-60.1-42.1-176-62.5-166.1-178.1-171.70112.6L52 E69 N70 L72 E76 R304 L305 Y308L52-K302 HydrophobicContact CD1-CD 4.43Å; L52-K302 HydrophobicContact CD2-CB 3.75Å; E69-K302 WeakPolarHBondContact O-CD 3.46Å; E69-K302 WeakPolarHBondContact O-CE 3.4Å; E69-K302 IonicContact OE2-NZ 3.27Å; N70-K302 PolarHBondContact O-N 2.68Å; N70-K302 PolarHBondContact OD1-N 2.94Å; L72-K302 WeakPolarHBondContact O-CE 3.48Å; E76-K302 HydrophobicContact CG-CB 4.48Å; E76-K302 HydrophobicContact CG-CD 3.52Å; E76-K302 HydrophobicContact CG-CG 3.7Å; E76-K302 WeakPolarHBondContact OE1-CD 3.42Å; E76-K302 WeakPolarHBondContact OE1-CE 3.49Å; E76-K302 IonicContact OE1-NZ 3.68Å; E76-K302 PolarHBondContact OE1-NZ 2.88Å; K302-R304 PolarHBondContact O-N 3.15Å; K302-L305 WeakPolarHBondContact O-CB 3.45Å; K302-L305 PolarHBondContact O-N 2.8Å; K302-Y308 HydrophobicContact CB-CD2 4.09Å; K302-Y308 HydrophobicContact CB-CE2 3.98Å; K302-Y308 HydrophobicContact CD-CE2 4.46Å; K302-Y308 WeakPolarHBondContact O-CD2 3.35Å
303N96.9Very high97.9Very high18 Ų1819.6 Ų19.610%0.09611%0.113CC..G310 helixtrans-61.5-13.6-177.275.9-73000113.8L52 I60 N70 T301 G310L52-N303 HydrophobicContact CD2-CB 4.47Å; I60-N303 HydrophobicContact CG2-CB 3.85Å; N70-N303 PolarHBondContact ND2-OD1 3.33Å; N70-N303 VanDerWaalsContact OD1-CB 3.28Å; N70-N303 WeakPolarHBondContact OD1-CB 3.46Å; N70-N303 PolarHBondContact OD1-N 3.18Å; N70-N303 PolarHBondContact OD1-OD1 3.04Å; T301-N303 WeakPolarHBondContact CB-OD1 3.37Å; T301-N303 PolarHBondContact O-N 3.34Å; T301-N303 PolarHBondContact OG1-OD1 3.15Å; T301-N303 VanDerWaalsContact OG1-OD1 3.1Å; N303-G310 WeakPolarHBondContact O-CA 3.32Å
304R97.6Very high97.9Very high15 Ų1519.8 Ų19.86%0.05711%0.114CC..G310 helixtrans-89.1-12.7177.6-60.6-175.667.6-172.8-1.8113.2F256 T258 H297 D298 V299 T301 K302 G310 H311 G312F256-R304 PolarHBondContact O-NH2 3Å; F256-R304 VanDerWaalsContact O-NH2 3.08Å; T258-R304 PolarHBondContact OG1-NH1 3.11Å; T258-R304 PolarHBondContact OG1-NH2 3.09Å; H297-R304 PolarHBondContact O-NH1 3.49Å; H297-R304 PolarHBondContact O-NH2 3.24Å; D298-R304 VanDerWaalsContact C-NH1 3.34Å; D298-R304 PolarHBondContact O-NH1 2.85Å; V299-R304 HydrophobicContact CG1-CB 4.16Å; V299-R304 HydrophobicContact CG2-CB 4.35Å; T301-R304 PolarHBondContact O-N 3.41Å; T301-R304 VanDerWaalsContact OG1-CD 3.29Å; T301-R304 WeakPolarHBondContact OG1-CD 3.17Å; T301-R304 WeakPolarHBondContact OG1-CG 3.49Å; K302-R304 PolarHBondContact O-N 3.15Å; R304-G310 CarbonylContact O-C 3.6Å; R304-G310 WeakPolarHBondContact O-CA 3.33Å; R304-H311 PolarHBondContact NE-NE2 3.2Å; R304-H311 PolarHBondContact NH2-CE1 3.24Å; R304-H311 PolarHBondContact NH2-NE2 3.33Å; R304-H311 PolarHBondContact O-N 2.93Å; R304-H311 VanDerWaalsContact O-N 3.11Å; R304-G312 PolarHBondContact O-N 3.33Å
305L98.4Very high97.9Very high0 Ų020.9 Ų20.90%012%0.12CC..SBendtrans-75143.4170.5-52.1176.3000110.7L73 E76 A79 V80 E83 V299 K302 K307 Y308 G309 G310 Y313L73-L305 HydrophobicContact CD1-CD1 3.8Å; L73-L305 HydrophobicContact CD1-CD2 4.18Å; L73-L305 HydrophobicContact CD1-CG 4.16Å; E76-L305 HydrophobicContact CB-CD1 3.78Å; E76-L305 HydrophobicContact CG-CD1 4.2Å; A79-L305 HydrophobicContact CB-CD1 4.02Å; V80-L305 HydrophobicContact CG2-CD1 4.36Å; V80-L305 HydrophobicContact CG2-CD2 4.36Å; E83-L305 HydrophobicContact CG-CD2 4.29Å; V299-L305 HydrophobicContact CG1-CD2 4Å; K302-L305 WeakPolarHBondContact O-CB 3.45Å; K302-L305 PolarHBondContact O-N 2.8Å; L305-K307 PolarHBondContact O-N 2.73Å; L305-Y308 HydrophobicContact CB-CD2 4.25Å; L305-Y308 CarbonylContact O-C 3.48Å; L305-Y308 WeakPolarHBondContact O-CA 3.44Å; L305-Y308 PolarHBondContact O-N 2.77Å; L305-G309 PolarHBondContact O-N 2.88Å; L305-G310 WeakPolarHBondContact O-CA 2.9Å; L305-G310 PolarHBondContact O-N 3.17Å; L305-Y313 HydrophobicContact CD2-CE2 4.22Å
306M97.6Very high97.9Very high67 Ų6720.9 Ų20.933%0.3312%0.119SC..G310 helixtrans-58.2-30.5176.5-69.2-171.7-88.300112.5E83 L86 Y308 G309E83-M306 WeakPolarHBondContact OE1-CA 2.93Å; E83-M306 WeakPolarHBondContact OE1-CB 2.97Å; E83-M306 WeakPolarHBondContact OE1-CE 3.29Å; E83-M306 WeakPolarHBondContact OE1-CG 3.1Å; E83-M306 PolarHBondContact OE1-N 2.95Å; E83-M306 WeakPolarHBondContact OE2-CE 3.3Å; L86-M306 HydrophobicContact CB-CE 4.02Å; L86-M306 HydrophobicContact CD1-CE 3.29Å; L86-M306 HydrophobicContact CD1-SD 4.39Å; L86-M306 HydrophobicContact CG-CE 4.25Å; M306-Y308 PolarHBondContact O-N 3.17Å; M306-Y308 VanDerWaalsContact O-N 3.09Å; M306-G309 PolarHBondContact O-N 3.03Å
307K97.3Very high97.9Very high123 Ų12322 Ų2254%0.53513%0.125SC..G310 helixtrans-50.7-32.6170.4176.8177.9172.2-171.10112.4E76 A79 L305E76-K307 IonicContact OE2-NZ 3.65Å; E76-K307 PolarHBondContact OE2-NZ 3.17Å; A79-K307 HydrophobicContact CB-CB 4.18Å; A79-K307 HydrophobicContact CB-CD 3.61Å; L305-K307 PolarHBondContact O-N 2.73Å
308Y97Very high97.9Very high37 Ų3726.6 Ų26.615%0.14515%0.145CC..G310 helixtrans-107.819.9179.5-60.3-75.9000112.8L52 L57 E76 K302 L305 M306 G310L52-Y308 HydrophobicContact CB-CD1 3.77Å; L52-Y308 HydrophobicContact CB-CE1 3.81Å; L52-Y308 HydrophobicContact CD2-CD1 3.96Å; L52-Y308 HydrophobicContact CD2-CE1 4.22Å; L52-Y308 HydrophobicContact CD2-CG 4.19Å; L57-Y308 WeakPolarHBondContact CD1-O 3.42Å; E76-Y308 HydrophobicContact CG-CE2 4.19Å; E76-Y308 PolarHBondContact OE1-OH 3.35Å; E76-Y308 PolarHBondContact OE2-OH 2.97Å; E76-Y308 VanDerWaalsContact OE2-OH 3.11Å; K302-Y308 HydrophobicContact CB-CD2 4.09Å; K302-Y308 HydrophobicContact CB-CE2 3.98Å; K302-Y308 HydrophobicContact CD-CE2 4.46Å; K302-Y308 WeakPolarHBondContact O-CD2 3.35Å; L305-Y308 HydrophobicContact CB-CD2 4.25Å; L305-Y308 CarbonylContact O-C 3.48Å; L305-Y308 WeakPolarHBondContact O-CA 3.44Å; L305-Y308 PolarHBondContact O-N 2.77Å; M306-Y308 PolarHBondContact O-N 3.17Å; M306-Y308 VanDerWaalsContact O-N 3.09Å; Y308-G310 VanDerWaalsContact C-N 3.26Å; Y308-G310 PolarHBondContact O-N 2.7Å
309G95.6Very high97.9Very high69 Ų6930 Ų3071%0.71116%0.164SC*.THydrogen-bonded Turntrans74.813.2-178.300000114.5L305 M306L305-G309 PolarHBondContact O-N 2.88Å; M306-G309 PolarHBondContact O-N 3.03Å
310G97Very high97.9Very high20 Ų2030.3 Ų30.321%0.20617%0.165CC..  trans-76.5-179.1172.600000113.2N303 R304 L305 Y308N303-G310 WeakPolarHBondContact O-CA 3.32Å; R304-G310 CarbonylContact O-C 3.6Å; R304-G310 WeakPolarHBondContact O-CA 3.33Å; L305-G310 WeakPolarHBondContact O-CA 2.9Å; L305-G310 PolarHBondContact O-N 3.17Å; Y308-G310 VanDerWaalsContact C-N 3.26Å; Y308-G310 PolarHBondContact O-N 2.7Å
311H97.8Very high98Very high36 Ų3630.9 Ų30.917%0.16717%0.169CC..  trans-85.8-23-174.760.969.5000113.6R304 H315R304-H311 PolarHBondContact NE-NE2 3.2Å; R304-H311 PolarHBondContact NH2-CE1 3.24Å; R304-H311 PolarHBondContact NH2-NE2 3.33Å; R304-H311 PolarHBondContact O-N 2.93Å; R304-H311 VanDerWaalsContact O-N 3.11Å; H311-H315 HydrophobicContact CB-CB 3.82Å
312G98.4Very high98Very high0 Ų033.3 Ų33.30%019%0.185CC..  trans68.1-178.8-179.900000114.7E83 R304 S314E83-G312 WeakPolarHBondContact OE2-CA 3.43Å; R304-G312 PolarHBondContact O-N 3.33Å; G312-S314 VanDerWaalsContact C-N 3.28Å; G312-S314 PolarHBondContact O-N 3.2Å
313Y98.8Very high98.1Very high0 Ų036.4 Ų36.40%020%0.198CC..THydrogen-bonded Turntrans-76.8-14.3-178.8-56.9-71.3000113L24 E27 H28 L29 V80 E83 L84 I95 H297 V299 L305 H315L24-Y313 WeakPolarHBondContact CD1-O 3.46Å; E27-Y313 HydrophobicContact CB-CD1 4.33Å; E27-Y313 HydrophobicContact CB-CE1 4.06Å; E27-Y313 HydrophobicContact CG-CD1 4.05Å; E27-Y313 HydrophobicContact CG-CE1 4.28Å; H28-Y313 PolarHBondContact O-OH 2.97Å; L29-Y313 HydrophobicContact CD2-CE1 4.04Å; L29-Y313 HydrophobicContact CD2-CE2 4.07Å; V80-Y313 HydrophobicContact CG1-CE2 4.24Å; E83-Y313 HydrophobicContact CB-CD2 3.51Å; E83-Y313 HydrophobicContact CB-CE2 3.82Å; E83-Y313 HydrophobicContact CG-CD2 4.36Å; E83-Y313 HydrophobicContact CG-CE2 4.44Å; E83-Y313 PolarHBondContact OE2-N 3.29Å; E83-Y313 VanDerWaalsContact OE2-N 3.15Å; L84-Y313 HydrophobicContact CD2-CD2 4.38Å; I95-Y313 HydrophobicContact CD1-CD1 4.41Å; I95-Y313 HydrophobicContact CD1-CG 4.37Å; H297-Y313 PolarHBondContact CE1-O 3.22Å; V299-Y313 HydrophobicContact CB-CD1 4.08Å; V299-Y313 HydrophobicContact CB-CE1 3.49Å; V299-Y313 VanDerWaalsContact CB-CE1 3.49Å; V299-Y313 HydrophobicContact CG1-CE1 3.78Å; V299-Y313 HydrophobicContact CG2-CD1 4.17Å; V299-Y313 HydrophobicContact CG2-CE1 4.08Å; L305-Y313 HydrophobicContact CD2-CE2 4.22Å; Y313-H315 VanDerWaalsContact C-N 3.3Å; Y313-H315 PolarHBondContact O-N 2.67Å
314S98.5Very high98.2Very high3 Ų335.5 Ų35.52%0.02119%0.194CC..THydrogen-bonded Turntrans-85.2-0.7179.2700000114G312 I316 L317 K318G312-S314 VanDerWaalsContact C-N 3.28Å; G312-S314 PolarHBondContact O-N 3.2Å; S314-I316 PolarHBondContact O-N 3.49Å; S314-L317 PolarHBondContact O-N 2.9Å; S314-K318 WeakPolarHBondContact O-CB 3.4Å; S314-K318 WeakPolarHBondContact O-CG 3.24Å; S314-K318 PolarHBondContact O-N 3.44Å; S314-K318 PolarHBondContact OG-NZ 3.03Å
315H98.8Very high98.2Very high24 Ų2438.4 Ų38.411%0.11121%0.21CC..Hα-helixtrans-62.4-44.8-171.1179.271.6000113.4D274 H311 Y313 L317 K318 N319 I320D274-H315 IonicContact OD2-NE2 3.37Å; D274-H315 PolarHBondContact OD2-NE2 2.79Å; H311-H315 HydrophobicContact CB-CB 3.82Å; Y313-H315 VanDerWaalsContact C-N 3.3Å; Y313-H315 PolarHBondContact O-N 2.67Å; H315-L317 PolarHBondContact O-N 3.28Å; H315-K318 PolarHBondContact O-N 3.25Å; H315-N319 PolarHBondContact ND1-ND2 3.2Å; H315-N319 WeakPolarHBondContact O-CA 3.19Å; H315-N319 WeakPolarHBondContact O-CB 3.48Å; H315-N319 PolarHBondContact O-N 3.33Å; H315-N319 PolarHBondContact O-ND2 2.99Å; H315-I320 VanDerWaalsContact NE2-CD1 3.35Å; H315-I320 WeakPolarHBondContact NE2-CD1 3.41Å; H315-I320 PolarHBondContact O-N 2.79Å
316I98.8Very high98.2Very high0 Ų044.8 Ų44.80%024%0.243CC..Iπ-helixtrans-57-50.9177.2-82.6166.4000111.1L24 F256 M295 A296 H297 S314 I320 V321 L338L24-I316 HydrophobicContact CD2-CB 4.31Å; L24-I316 HydrophobicContact CD2-CD1 3.91Å; L24-I316 HydrophobicContact CD2-CG2 4.46Å; F256-I316 HydrophobicContact CB-CD1 4.24Å; F256-I316 HydrophobicContact CB-CG1 4.11Å; F256-I316 HydrophobicContact CD2-CD1 4.15Å; F256-I316 HydrophobicContact CD2-CG1 4.39Å; F256-I316 HydrophobicContact CG-CD1 4.39Å; F256-I316 HydrophobicContact CG-CG1 4.23Å; M295-I316 HydrophobicContact CB-CD1 4.48Å; M295-I316 HydrophobicContact CE-CB 4.32Å; M295-I316 HydrophobicContact CE-CD1 3.73Å; M295-I316 HydrophobicContact CE-CG1 3.65Å; M295-I316 HydrophobicContact CE-CG2 3.7Å; M295-I316 HydrophobicContact CG-CD1 4.15Å; M295-I316 HydrophobicContact SD-CG2 3.99Å; A296-I316 WeakPolarHBondContact O-CD1 3.44Å; H297-I316 WeakPolarHBondContact NE2-CB 3.4Å; H297-I316 WeakPolarHBondContact NE2-CG1 3.29Å; H297-I316 PolarHBondContact NE2-N 3.18Å; S314-I316 PolarHBondContact O-N 3.49Å; I316-I320 HydrophobicContact CG1-CB 4.37Å; I316-I320 HydrophobicContact CG1-CG1 4.11Å; I316-I320 WeakPolarHBondContact O-CB 3.4Å; I316-I320 PolarHBondContact O-N 2.66Å; I316-I320 VanDerWaalsContact O-N 3.17Å; I316-V321 HydrophobicContact CG2-CG2 4.37Å; I316-V321 WeakPolarHBondContact O-CG2 3.29Å; I316-V321 PolarHBondContact O-N 2.97Å; I316-L338 HydrophobicContact CG2-CD1 4.08Å; I316-L338 HydrophobicContact CG2-CD2 4.07Å
317L98.8Very high98.2Very high24 Ų2447.1 Ų47.113%0.12625%0.248CC..Iπ-helixtrans-69.1-39.3-177-60.2-176.6000112.4Y22 F87 A90 S314 H315 P322 L338Y22-L317 HydrophobicContact CD1-CD2 4.04Å; Y22-L317 HydrophobicContact CG-CD2 4.13Å; F87-L317 HydrophobicContact CD2-CD1 3.92Å; F87-L317 HydrophobicContact CE2-CD1 3.66Å; F87-L317 HydrophobicContact CE2-CG 4.34Å; A90-L317 HydrophobicContact CB-CB 4.31Å; A90-L317 HydrophobicContact CB-CD1 4.22Å; S314-L317 PolarHBondContact O-N 2.9Å; H315-L317 PolarHBondContact O-N 3.28Å; L317-P322 WeakPolarHBondContact O-CD 3.36Å; L317-L338 HydrophobicContact CD2-CD1 4.09Å
318K98.5Very high98.2Very high96 Ų9644.4 Ų44.442%0.41726%0.255SS..Iπ-helixtrans-85.1-27-174.5-70.6-174.8-179.3166.50114.6A90 S314 H315 P322A90-K318 HydrophobicContact CB-CG 4.24Å; S314-K318 WeakPolarHBondContact O-CB 3.4Å; S314-K318 WeakPolarHBondContact O-CG 3.24Å; S314-K318 PolarHBondContact O-N 3.44Å; S314-K318 PolarHBondContact OG-NZ 3.03Å; H315-K318 PolarHBondContact O-N 3.25Å; K318-P322 WeakPolarHBondContact O-CG 3.45Å
319N98.6Very high98.3Very high83 Ų8343 Ų4344%0.44425%0.25SC..Iπ-helixtrans-125.4-49-170.6-54.3-71.1000112.3H315 K323H315-N319 PolarHBondContact ND1-ND2 3.2Å; H315-N319 WeakPolarHBondContact O-CA 3.19Å; H315-N319 WeakPolarHBondContact O-CB 3.48Å; H315-N319 PolarHBondContact O-N 3.33Å; H315-N319 PolarHBondContact O-ND2 2.99Å; N319-K323 WeakPolarHBondContact O-CB 3.47Å; N319-K323 PolarHBondContact O-N 3.38Å; N319-K323 VanDerWaalsContact O-N 3.12Å
320I98.8Very high98.4Very high6 Ų642.5 Ų42.53%0.03124%0.235CC..Iπ-helixtrans-70.7-49-175.6-55.9-56.7000111.1F256 D274 I278 M295 H315 I316 K323 M324F256-I320 HydrophobicContact CD1-CB 4.45Å; F256-I320 HydrophobicContact CD1-CD1 3.55Å; F256-I320 HydrophobicContact CD1-CG1 3.65Å; F256-I320 HydrophobicContact CD1-CG2 3.96Å; F256-I320 HydrophobicContact CE1-CB 4.49Å; F256-I320 HydrophobicContact CE1-CD1 3.96Å; F256-I320 HydrophobicContact CE1-CG1 4.13Å; F256-I320 HydrophobicContact CE1-CG2 3.56Å; F256-I320 HydrophobicContact CG-CG1 4.28Å; F256-I320 HydrophobicContact CZ-CG2 4.04Å; D274-I320 HydrophobicContact CB-CD1 3.77Å; I278-I320 HydrophobicContact CD1-CG2 4.08Å; I278-I320 HydrophobicContact CG1-CG2 4.11Å; M295-I320 HydrophobicContact CE-CB 4.49Å; M295-I320 HydrophobicContact CE-CG2 3.71Å; H315-I320 VanDerWaalsContact NE2-CD1 3.35Å; H315-I320 WeakPolarHBondContact NE2-CD1 3.41Å; H315-I320 PolarHBondContact O-N 2.79Å; I316-I320 HydrophobicContact CG1-CB 4.37Å; I316-I320 HydrophobicContact CG1-CG1 4.11Å; I316-I320 WeakPolarHBondContact O-CB 3.4Å; I316-I320 PolarHBondContact O-N 2.66Å; I316-I320 VanDerWaalsContact O-N 3.17Å; I320-K323 CarbonylContact O-C 3.57Å; I320-K323 WeakPolarHBondContact O-CA 3.48Å; I320-K323 WeakPolarHBondContact O-CB 3.38Å; I320-K323 PolarHBondContact O-N 2.89Å; I320-M324 HydrophobicContact CG2-CG 4.09Å; I320-M324 HydrophobicContact CG2-SD 3.87Å; I320-M324 WeakPolarHBondContact O-CG 3.2Å; I320-M324 PolarHBondContact O-N 2.74Å
321V98.8Very high98.5Very high18 Ų1845 Ų4511%0.10924%0.242CC..Hα-helixtrans-56.8-50.8178.61640000111.7I316 K323 M324 L325 I334 L338I316-V321 HydrophobicContact CG2-CG2 4.37Å; I316-V321 WeakPolarHBondContact O-CG2 3.29Å; I316-V321 PolarHBondContact O-N 2.97Å; V321-K323 VanDerWaalsContact C-N 3.27Å; V321-K323 PolarHBondContact O-N 3.09Å; V321-M324 WeakPolarHBondContact O-CB 3.38Å; V321-M324 PolarHBondContact O-N 3.03Å; V321-L325 HydrophobicContact CG1-CD1 4.4Å; V321-L325 WeakPolarHBondContact O-CG 3.43Å; V321-L325 PolarHBondContact O-N 2.98Å; V321-I334 HydrophobicContact CG1-CD1 4.34Å; V321-I334 HydrophobicContact CG1-CG2 4.17Å; V321-I334 HydrophobicContact CG2-CG2 3.88Å; V321-L338 HydrophobicContact CG2-CD1 3.62Å
322P98.8Very high98.6Very high54 Ų5448 Ų4835%0.35126%0.259SS..Hα-helixtrans-56.2-39.4172.6-29.737.6000113.6L317 K318 L325 I326L317-P322 WeakPolarHBondContact O-CD 3.36Å; K318-P322 WeakPolarHBondContact O-CG 3.45Å; P322-L325 PolarHBondContact O-N 3.42Å; P322-I326 WeakPolarHBondContact O-CG1 3.17Å; P322-I326 PolarHBondContact O-N 2.86Å; P322-I326 VanDerWaalsContact O-N 3.09Å
323K98.7Very high98.6Very high71 Ų7150.5 Ų50.531%0.30927%0.269SS..Hα-helixtrans-67.6-40177.7-17361169.7-172.80112.4N275 I278 N319 I320 V321 L325 I326 R327N275-K323 WeakPolarHBondContact OD1-CE 3.06Å; I278-K323 HydrophobicContact CD1-CB 3.86Å; I278-K323 HydrophobicContact CD1-CG 3.54Å; N319-K323 WeakPolarHBondContact O-CB 3.47Å; N319-K323 PolarHBondContact O-N 3.38Å; N319-K323 VanDerWaalsContact O-N 3.12Å; I320-K323 CarbonylContact O-C 3.57Å; I320-K323 WeakPolarHBondContact O-CA 3.48Å; I320-K323 WeakPolarHBondContact O-CB 3.38Å; I320-K323 PolarHBondContact O-N 2.89Å; V321-K323 VanDerWaalsContact C-N 3.27Å; V321-K323 PolarHBondContact O-N 3.09Å; K323-L325 VanDerWaalsContact C-N 3.35Å; K323-I326 PolarHBondContact O-N 3Å; K323-R327 VanDerWaalsContact O-CG 3.24Å; K323-R327 WeakPolarHBondContact O-CG 3.17Å; K323-R327 PolarHBondContact O-N 3.23Å
324M98.8Very high98.6Very high0 Ų050.5 Ų50.50%027%0.27CS..Hα-helixtrans-60.4-44175.4-72.3177.47600111.1I278 I281 M295 I320 V321 R327 G328 I329 I334 I337I278-M324 HydrophobicContact CD1-CG 4.13Å; I278-M324 HydrophobicContact CG1-CG 3.88Å; I278-M324 HydrophobicContact CG2-CG 4.02Å; I281-M324 HydrophobicContact CG2-CE 4.06Å; M295-M324 HydrophobicContact CE-SD 4.47Å; I320-M324 HydrophobicContact CG2-CG 4.09Å; I320-M324 HydrophobicContact CG2-SD 3.87Å; I320-M324 WeakPolarHBondContact O-CG 3.2Å; I320-M324 PolarHBondContact O-N 2.74Å; V321-M324 WeakPolarHBondContact O-CB 3.38Å; V321-M324 PolarHBondContact O-N 3.03Å; M324-R327 CarbonylContact O-C 3.54Å; M324-R327 WeakPolarHBondContact O-CA 3.47Å; M324-R327 PolarHBondContact O-N 3.33Å; M324-R327 VanDerWaalsContact O-N 3.1Å; M324-G328 PolarHBondContact O-N 3.24Å; M324-I329 HydrophobicContact CB-CB 4.22Å; M324-I329 HydrophobicContact CB-CD1 4.05Å; M324-I329 HydrophobicContact CE-CD1 3.59Å; M324-I329 HydrophobicContact CE-CG2 4.07Å; M324-I329 HydrophobicContact CG-CD1 4.06Å; M324-I329 PolarHBondContact O-N 3.28Å; M324-I334 HydrophobicContact CB-CD1 3.91Å; M324-I334 HydrophobicContact CB-CG1 4.39Å; M324-I334 HydrophobicContact CE-CG1 4.04Å; M324-I334 HydrophobicContact SD-CG1 4.45Å; M324-I337 HydrophobicContact CE-CD1 4.16Å
325L98.8Very high98.6Very high76 Ų7652.5 Ų52.540%0.39828%0.28SS..Hα-helixtrans-60.2-47.4174.9-69.1169.9000111.8V321 P322 K323 R327 G328 Q331 I334V321-L325 HydrophobicContact CG1-CD1 4.4Å; V321-L325 WeakPolarHBondContact O-CG 3.43Å; V321-L325 PolarHBondContact O-N 2.98Å; P322-L325 PolarHBondContact O-N 3.42Å; K323-L325 VanDerWaalsContact C-N 3.35Å; L325-R327 PolarHBondContact O-N 2.71Å; L325-G328 PolarHBondContact O-N 2.97Å; L325-Q331 HydrophobicContact CD2-CB 4.39Å; L325-I334 HydrophobicContact CD2-CD1 3.67Å; L325-I334 HydrophobicContact CG-CD1 3.74Å
326I98.4Very high98.6Very high134 Ų13453.2 Ų53.269%0.68728%0.283SS*.Hα-helixtrans-58.8-31.7175.4-69.6165000111.6P322 K323 G328P322-I326 WeakPolarHBondContact O-CG1 3.17Å; P322-I326 PolarHBondContact O-N 2.86Å; P322-I326 VanDerWaalsContact O-N 3.09Å; K323-I326 PolarHBondContact O-N 3Å; I326-G328 VanDerWaalsContact C-N 3.27Å; I326-G328 PolarHBondContact O-N 3.11Å
327R97Very high98.6Very high116 Ų11653.3 Ų53.344%0.43828%0.283SS..THydrogen-bonded Turntrans-84.14.3178.5-67.5-70.3-162.9173.43.6113.9N275 I278 K323 M324 L325N275-R327 PolarHBondContact OD1-NH2 3.41Å; I278-R327 HydrophobicContact CG2-CB 4.33Å; I278-R327 HydrophobicContact CG2-CG 4.24Å; K323-R327 VanDerWaalsContact O-CG 3.24Å; K323-R327 WeakPolarHBondContact O-CG 3.17Å; K323-R327 PolarHBondContact O-N 3.23Å; M324-R327 CarbonylContact O-C 3.54Å; M324-R327 WeakPolarHBondContact O-CA 3.47Å; M324-R327 PolarHBondContact O-N 3.33Å; M324-R327 VanDerWaalsContact O-N 3.1Å; L325-R327 PolarHBondContact O-N 2.71Å
328G98Very high98.6Very high66 Ų6652.2 Ų52.268%0.6828%0.277SS*.THydrogen-bonded Turntrans85.411.717500000114.9M324 L325 I326 S330M324-G328 PolarHBondContact O-N 3.24Å; L325-G328 PolarHBondContact O-N 2.97Å; I326-G328 VanDerWaalsContact C-N 3.27Å; I326-G328 PolarHBondContact O-N 3.11Å; G328-S330 PolarHBondContact O-N 3.39Å
329I98.7Very high98.6Very high8 Ų849.5 Ų49.54%0.04127%0.268CS..  trans-78.1119.3168.8-55176.3000106.9I278 R282 I285 M324 K333 I334I278-I329 HydrophobicContact CG2-CD1 4.08Å; R282-I329 HydrophobicContact CB-CD1 4.1Å; R282-I329 HydrophobicContact CB-CG1 4.34Å; R282-I329 HydrophobicContact CG-CG1 4.31Å; I285-I329 HydrophobicContact CD1-CD1 4.43Å; I285-I329 HydrophobicContact CD1-CG2 3.87Å; M324-I329 HydrophobicContact CB-CB 4.22Å; M324-I329 HydrophobicContact CB-CD1 4.05Å; M324-I329 HydrophobicContact CE-CD1 3.59Å; M324-I329 HydrophobicContact CE-CG2 4.07Å; M324-I329 HydrophobicContact CG-CD1 4.06Å; M324-I329 PolarHBondContact O-N 3.28Å; I329-K333 HydrophobicContact CG2-CB 3.81Å; I329-I334 HydrophobicContact CG2-CG1 4.02Å
330S98.6Very high98.6Very high58 Ų5849.6 Ų49.641%0.40627%0.265SS..  trans-71.7155.7-175.4710000112.2G328 N332 K333 I334G328-S330 PolarHBondContact O-N 3.39Å; S330-N332 PolarHBondContact O-N 3.36Å; S330-K333 PolarHBondContact O-N 2.95Å; S330-I334 PolarHBondContact O-N 2.55Å; S330-I334 VanDerWaalsContact O-N 3.15Å
331Q98.6Very high98.6Very high73 Ų7349.3 Ų49.334%0.34126%0.264SS..Hα-helixtrans-53.3-40.1177-172.461.547.900112.1L325 K333 I334 D335L325-Q331 HydrophobicContact CD2-CB 4.39Å; Q331-K333 VanDerWaalsContact C-N 3.3Å; Q331-K333 PolarHBondContact O-N 3.18Å; Q331-I334 CarbonylContact O-C 3.5Å; Q331-I334 WeakPolarHBondContact O-CB 3.31Å; Q331-I334 PolarHBondContact O-N 2.95Å; Q331-I334 VanDerWaalsContact O-N 3.08Å; Q331-D335 PolarHBondContact NE2-OD1 2.69Å; Q331-D335 WeakPolarHBondContact O-CB 3.47Å; Q331-D335 PolarHBondContact O-N 2.96Å
332N98.6Very high98.6Very high98 Ų9848.4 Ų48.452%0.52426%0.258SS..Hα-helixtrans-59-38.5177.7-177.4-85.9000113.1S330 K336S330-N332 PolarHBondContact O-N 3.36Å; N332-K336 WeakPolarHBondContact O-CG 3.44Å; N332-K336 PolarHBondContact O-N 3.21Å
333K98.7Very high98.6Very high52 Ų5248.5 Ų48.523%0.22625%0.253CS..Hα-helixtrans-71.7-36.1176.4-56.4-63.8173.3178.30111.4I285 E290 I329 S330 Q331 K336 I337I285-K333 HydrophobicContact CD1-CB 4.26Å; I285-K333 HydrophobicContact CG2-CD 4.14Å; I285-K333 HydrophobicContact CG2-CG 4.28Å; E290-K333 HydrophobicContact CB-CD 4.31Å; E290-K333 HydrophobicContact CG-CD 4.5Å; E290-K333 IonicContact OE1-NZ 2.66Å; E290-K333 PolarHBondContact OE1-NZ 3.12Å; E290-K333 VanDerWaalsContact OE2-CD 3.25Å; E290-K333 WeakPolarHBondContact OE2-CD 3.22Å; E290-K333 VanDerWaalsContact OE2-CE 3.28Å; E290-K333 WeakPolarHBondContact OE2-CE 3.24Å; E290-K333 IonicContact OE2-NZ 2.57Å; E290-K333 PolarHBondContact OE2-NZ 2.65Å; I329-K333 HydrophobicContact CG2-CB 3.81Å; S330-K333 PolarHBondContact O-N 2.95Å; Q331-K333 VanDerWaalsContact C-N 3.3Å; Q331-K333 PolarHBondContact O-N 3.18Å; K333-K336 WeakPolarHBondContact O-CB 3.43Å; K333-K336 PolarHBondContact O-N 3.07Å; K333-I337 WeakPolarHBondContact O-CG1 3.4Å; K333-I337 PolarHBondContact O-N 2.99Å
334I98.8Very high98.6Very high1 Ų150.2 Ų50.21%0.00526%0.258CS..Hα-helixtrans-64.5-44174.5-66.8167.4000110.3V321 M324 L325 I329 S330 Q331 K336 I337 L338V321-I334 HydrophobicContact CG1-CD1 4.34Å; V321-I334 HydrophobicContact CG1-CG2 4.17Å; V321-I334 HydrophobicContact CG2-CG2 3.88Å; M324-I334 HydrophobicContact CB-CD1 3.91Å; M324-I334 HydrophobicContact CB-CG1 4.39Å; M324-I334 HydrophobicContact CE-CG1 4.04Å; M324-I334 HydrophobicContact SD-CG1 4.45Å; L325-I334 HydrophobicContact CD2-CD1 3.67Å; L325-I334 HydrophobicContact CG-CD1 3.74Å; I329-I334 HydrophobicContact CG2-CG1 4.02Å; S330-I334 PolarHBondContact O-N 2.55Å; S330-I334 VanDerWaalsContact O-N 3.15Å; Q331-I334 CarbonylContact O-C 3.5Å; Q331-I334 WeakPolarHBondContact O-CB 3.31Å; Q331-I334 PolarHBondContact O-N 2.95Å; Q331-I334 VanDerWaalsContact O-N 3.08Å; I334-K336 VanDerWaalsContact C-N 3.3Å; I334-K336 PolarHBondContact O-N 3.11Å; I334-I337 PolarHBondContact O-N 3.44Å; I334-I337 VanDerWaalsContact O-N 3.08Å; I334-L338 HydrophobicContact CG2-CD1 3.93Å; I334-L338 PolarHBondContact O-N 2.99Å
335D98.7Very high98.6Very high44 Ų4450.2 Ų50.224%0.23526%0.258CS..Hα-helixtrans-62.4-37.4176.3-65.1-17.4000111.2Q331 I337 L339 E340Q331-D335 PolarHBondContact NE2-OD1 2.69Å; Q331-D335 WeakPolarHBondContact O-CB 3.47Å; Q331-D335 PolarHBondContact O-N 2.96Å; D335-I337 VanDerWaalsContact C-N 3.35Å; D335-I337 PolarHBondContact O-N 3.37Å; D335-L339 HydrophobicContact CB-CD1 4.04Å; D335-L339 WeakPolarHBondContact O-CA 3.42Å; D335-L339 WeakPolarHBondContact O-CB 3.2Å; D335-L339 PolarHBondContact O-N 3.35Å; D335-E340 PolarHBondContact O-N 3.47Å
336K98.7Very high98.6Very high40 Ų4046.6 Ų46.617%0.17424%0.239CC..Iπ-helixtrans-56.9-49.5170.4-76.6-171171.8-161.80111.7E290 D291 N332 K333 I334 E340 N341E290-K336 HydrophobicContact CB-CD 4.42Å; E290-K336 HydrophobicContact CG-CD 3.92Å; E290-K336 WeakPolarHBondContact OE1-CE 3.33Å; E290-K336 IonicContact OE1-NZ 3.4Å; E290-K336 PolarHBondContact OE1-NZ 3.07Å; D291-K336 IonicContact OD1-NZ 2.68Å; D291-K336 IonicContact OD2-NZ 2.75Å; D291-K336 PolarHBondContact OD2-NZ 2.8Å; N332-K336 WeakPolarHBondContact O-CG 3.44Å; N332-K336 PolarHBondContact O-N 3.21Å; K333-K336 WeakPolarHBondContact O-CB 3.43Å; K333-K336 PolarHBondContact O-N 3.07Å; I334-K336 VanDerWaalsContact C-N 3.3Å; I334-K336 PolarHBondContact O-N 3.11Å; K336-E340 PolarHBondContact O-N 2.93Å; K336-N341 WeakPolarHBondContact O-CB 3.38Å; K336-N341 PolarHBondContact O-N 3.16Å; K336-N341 PolarHBondContact O-ND2 2.99Å; K336-N341 PolarHBondContact O-OD1 3.14Å
337I98.8Very high98.6Very high1 Ų141.5 Ų41.51%0.00521%0.214CC..Iπ-helixtrans-68.9-39-174.5-64.4168.1000112.4I281 I285 I293 M295 M324 K333 I334 D335 P342I281-I337 HydrophobicContact CG2-CD1 3.88Å; I285-I337 HydrophobicContact CD1-CD1 4.16Å; I293-I337 HydrophobicContact CB-CD1 4.39Å; I293-I337 HydrophobicContact CB-CG1 4.07Å; I293-I337 HydrophobicContact CG2-CD1 4.08Å; I293-I337 HydrophobicContact CG2-CG1 4.1Å; I293-I337 HydrophobicContact CG2-CG2 4.14Å; M295-I337 HydrophobicContact CB-CG2 4.27Å; M295-I337 HydrophobicContact CG-CG2 3.75Å; M295-I337 HydrophobicContact SD-CG2 3.79Å; M324-I337 HydrophobicContact CE-CD1 4.16Å; K333-I337 WeakPolarHBondContact O-CG1 3.4Å; K333-I337 PolarHBondContact O-N 2.99Å; I334-I337 PolarHBondContact O-N 3.44Å; I334-I337 VanDerWaalsContact O-N 3.08Å; D335-I337 VanDerWaalsContact C-N 3.35Å; D335-I337 PolarHBondContact O-N 3.37Å; I337-P342 VanDerWaalsContact O-CD 3.22Å; I337-P342 WeakPolarHBondContact O-CD 3.49Å; I337-P342 WeakPolarHBondContact O-CG 3.49Å
338L98.8Very high98.6Very high1 Ų136.1 Ų36.11%0.00519%0.194CC..Iπ-helixtrans-104.6-11.8-171.7-67.2172.8000115Y22 T23 M295 I316 L317 V321 I334Y22-L338 HydrophobicContact CD1-CB 3.73Å; Y22-L338 HydrophobicContact CD1-CD1 4.18Å; Y22-L338 HydrophobicContact CE1-CB 4.28Å; Y22-L338 HydrophobicContact CE1-CD1 4.48Å; T23-L338 PolarHBondContact N-O 3.4Å; M295-L338 HydrophobicContact CG-CD2 3.42Å; M295-L338 VanDerWaalsContact CG-CD2 3.42Å; M295-L338 HydrophobicContact CG-CG 4.29Å; M295-L338 HydrophobicContact SD-CD1 4.21Å; M295-L338 HydrophobicContact SD-CD2 3.59Å; M295-L338 VanDerWaalsContact SD-CD2 3.59Å; M295-L338 HydrophobicContact SD-CG 3.93Å; I316-L338 HydrophobicContact CG2-CD1 4.08Å; I316-L338 HydrophobicContact CG2-CD2 4.07Å; L317-L338 HydrophobicContact CD2-CD1 4.09Å; V321-L338 HydrophobicContact CG2-CD1 3.62Å; I334-L338 HydrophobicContact CG2-CD1 3.93Å; I334-L338 PolarHBondContact O-N 2.99Å
339L98.7Very high98.4Very high40 Ų4040.5 Ų40.521%0.20919%0.194CC..Iπ-helixtrans-121.7-64.6178.6-55.7171.6000111.1G21 Y22 D335 K343G21-L339 WeakPolarHBondContact O-CD2 3.09Å; Y22-L339 HydrophobicContact CD1-CD2 3.81Å; Y22-L339 HydrophobicContact CD1-CG 4.08Å; Y22-L339 HydrophobicContact CD2-CD2 4.23Å; Y22-L339 HydrophobicContact CE1-CD1 4.16Å; Y22-L339 HydrophobicContact CE1-CD2 4.17Å; Y22-L339 HydrophobicContact CE1-CG 4.07Å; Y22-L339 HydrophobicContact CG-CD2 3.85Å; D335-L339 HydrophobicContact CB-CD1 4.04Å; D335-L339 WeakPolarHBondContact O-CA 3.42Å; D335-L339 WeakPolarHBondContact O-CB 3.2Å; D335-L339 PolarHBondContact O-N 3.35Å; L339-K343 WeakPolarHBondContact O-CB 3.46Å; L339-K343 PolarHBondContact O-N 3.08Å
340E98.8Very high98.4Very high84 Ų8442.2 Ų42.239%0.39320%0.202SC..Iπ-helixtrans-73.2-41.9-167.3-59.9-59.9149.100113.3D335 K336 K343 R344D335-E340 PolarHBondContact O-N 3.47Å; K336-E340 PolarHBondContact O-N 2.93Å; E340-K343 IonicContact OE2-NZ 3.48Å; E340-R344 VanDerWaalsContact O-CB 3.29Å; E340-R344 WeakPolarHBondContact O-CB 3.48Å; E340-R344 PolarHBondContact O-N 3.44Å
341N98.9Very high98.4Very high0 Ų041.3 Ų41.30%019%0.191CC..Hα-helixtrans-67.4-50179.7-65.8-11.5000111Y250 E290 D291 I293 L294 K336 K343 R344 W345Y250-N341 HydrophobicContact CE1-CB 3.95Å; E290-N341 PolarHBondContact O-ND2 2.85Å; D291-N341 WeakPolarHBondContact CA-OD1 3.44Å; D291-N341 PolarHBondContact O-OD1 3.08Å; I293-N341 PolarHBondContact O-ND2 3.07Å; L294-N341 HydrophobicContact CD2-CB 3.59Å; K336-N341 WeakPolarHBondContact O-CB 3.38Å; K336-N341 PolarHBondContact O-N 3.16Å; K336-N341 PolarHBondContact O-ND2 2.99Å; K336-N341 PolarHBondContact O-OD1 3.14Å; N341-K343 VanDerWaalsContact C-N 3.34Å; N341-K343 PolarHBondContact O-N 2.83Å; N341-R344 PolarHBondContact O-N 3.34Å; N341-W345 VanDerWaalsContact O-CB 3.26Å; N341-W345 WeakPolarHBondContact O-CB 3.41Å; N341-W345 PolarHBondContact O-N 2.92Å
342P98.8Very high98.4Very high0 Ų039.6 Ų39.60%018%0.183CC..Hα-helixtrans-58.2-44.2173.8-24.132.9000112.2T23 T25 L294 I337 R344 W345 L346T23-P342 HydrophobicContact CG2-CB 3.68Å; T23-P342 HydrophobicContact CG2-CG 4.36Å; T25-P342 HydrophobicContact CG2-CB 3.92Å; T25-P342 HydrophobicContact CG2-CG 3.89Å; L294-P342 HydrophobicContact CD2-CG 3.91Å; I337-P342 VanDerWaalsContact O-CD 3.22Å; I337-P342 WeakPolarHBondContact O-CD 3.49Å; I337-P342 WeakPolarHBondContact O-CG 3.49Å; P342-R344 PolarHBondContact O-N 3.17Å; P342-W345 PolarHBondContact O-N 3.07Å; P342-L346 HydrophobicContact CB-CD1 4.29Å; P342-L346 VanDerWaalsContact O-CB 3.24Å; P342-L346 WeakPolarHBondContact O-CB 3.48Å; P342-L346 WeakPolarHBondContact O-CD1 3.47Å; P342-L346 VanDerWaalsContact O-CG 3.23Å; P342-L346 WeakPolarHBondContact O-CG 3.38Å; P342-L346 PolarHBondContact O-N 3.35Å
343K98.6Very high98.4Very high56 Ų5636.1 Ų36.124%0.24316%0.163CC..Hα-helixtrans-56.3-51.1175.9174.4-176.9157.5-171.10112.2P17 D18 L339 E340 N341 T347P17-K343 HydrophobicContact CB-CD 4.27Å; P17-K343 HydrophobicContact CB-CG 3.62Å; D18-K343 WeakPolarHBondContact OD1-CE 3.24Å; D18-K343 IonicContact OD1-NZ 3.14Å; D18-K343 PolarHBondContact OD1-NZ 2.61Å; L339-K343 WeakPolarHBondContact O-CB 3.46Å; L339-K343 PolarHBondContact O-N 3.08Å; E340-K343 IonicContact OE2-NZ 3.48Å; N341-K343 VanDerWaalsContact C-N 3.34Å; N341-K343 PolarHBondContact O-N 2.83Å; K343-T347 WeakPolarHBondContact O-CB 3.42Å; K343-T347 PolarHBondContact O-N 2.67Å; K343-T347 PolarHBondContact O-OG1 3.17Å
344R98.7Very high98.3Very high107 Ų10735.1 Ų35.140%0.40416%0.159SC..Hα-helixtrans-63.8-42.1179.3-170.8-171.8-54.8151.60.2111.7K225 D291 E340 N341 P342K225-R344 PolarHBondContact NZ-O 3.48Å; D291-R344 PolarHBondContact O-NH1 3.43Å; D291-R344 IonicContact OD1-CZ 3.52Å; D291-R344 IonicContact OD1-NH1 2.77Å; D291-R344 PolarHBondContact OD1-NH1 2.92Å; D291-R344 IonicContact OD1-NH2 2.61Å; D291-R344 PolarHBondContact OD1-NH2 3.17Å; E340-R344 VanDerWaalsContact O-CB 3.29Å; E340-R344 WeakPolarHBondContact O-CB 3.48Å; E340-R344 PolarHBondContact O-N 3.44Å; N341-R344 PolarHBondContact O-N 3.34Å; P342-R344 PolarHBondContact O-N 3.17Å
345W98.8Very high98.3Very high0 Ų037.4 Ų37.40%017%0.169CC..Hα-helixtrans-66-47.4178.8170.751.4000111.7T25 V96 V166 P197 V198 I199 K225 V227 Y250 L294 N341 P342 T347T25-W345 HydrophobicContact CG2-CE3 3.98Å; T25-W345 HydrophobicContact CG2-CZ3 3.68Å; V96-W345 HydrophobicContact CG1-CH2 4.27Å; V96-W345 HydrophobicContact CG2-CH2 4.49Å; V96-W345 HydrophobicContact CG2-CZ3 4.1Å; V166-W345 HydrophobicContact CG2-CH2 4.19Å; V166-W345 HydrophobicContact CG2-CZ2 3.7Å; P197-W345 HydrophobicContact CB-CD2 4.35Å; P197-W345 HydrophobicContact CB-CG 4.41Å; P197-W345 HydrophobicContact CB-CZ2 4.11Å; P197-W345 VanDerWaalsContact CB-NE1 3.33Å; P197-W345 WeakPolarHBondContact CB-O 3.28Å; V198-W345 PolarHBondContact O-NE1 3.36Å; I199-W345 HydrophobicContact CB-CH2 4.24Å; I199-W345 HydrophobicContact CB-CZ2 3.88Å; I199-W345 HydrophobicContact CD1-CH2 3.97Å; I199-W345 HydrophobicContact CD1-CZ2 4.41Å; I199-W345 HydrophobicContact CG2-CZ2 4.35Å; K225-W345 PolarHBondContact NZ-O 3.11Å; K225-W345 PolarHBondContact O-NE1 3.27Å; V227-W345 HydrophobicContact CB-CZ2 4.27Å; V227-W345 HydrophobicContact CG2-CD2 3.63Å; V227-W345 HydrophobicContact CG2-CE3 4.19Å; V227-W345 HydrophobicContact CG2-CG 4.07Å; V227-W345 HydrophobicContact CG2-CH2 4.05Å; V227-W345 HydrophobicContact CG2-CZ2 3.49Å; V227-W345 VanDerWaalsContact CG2-CZ2 3.49Å; V227-W345 HydrophobicContact CG2-CZ3 4.38Å; Y250-W345 HydrophobicContact CD2-CB 4.29Å; Y250-W345 HydrophobicContact CD2-CG 4.27Å; Y250-W345 HydrophobicContact CE1-CB 4.5Å; Y250-W345 HydrophobicContact CE2-CB 3.72Å; Y250-W345 HydrophobicContact CE2-CG 4.1Å; L294-W345 HydrophobicContact CD1-CD2 4.09Å; L294-W345 HydrophobicContact CD1-CE3 3.79Å; L294-W345 HydrophobicContact CD1-CZ3 4.25Å; N341-W345 VanDerWaalsContact O-CB 3.26Å; N341-W345 WeakPolarHBondContact O-CB 3.41Å; N341-W345 PolarHBondContact O-N 2.92Å; P342-W345 PolarHBondContact O-N 3.07Å; W345-T347 PolarHBondContact O-N 3.17Å
346L98.8Very high98.3Very high0 Ų036.9 Ų36.90%016%0.164CC..Hα-helixtrans-78.4-18.5-172.6-68.1165.3000114.4V8 L20 T23 V96 I122 P197 P342 F348V8-L346 HydrophobicContact CG1-CB 4.09Å; V8-L346 HydrophobicContact CG2-CB 4.26Å; L20-L346 HydrophobicContact CD1-CB 4.29Å; L20-L346 HydrophobicContact CD1-CD1 3.87Å; T23-L346 HydrophobicContact CG2-CD1 4.01Å; V96-L346 HydrophobicContact CG2-CD1 3.93Å; V96-L346 HydrophobicContact CG2-CD2 3.88Å; I122-L346 HydrophobicContact CD1-CD1 3.69Å; I122-L346 HydrophobicContact CD1-CD2 4.01Å; I122-L346 HydrophobicContact CD1-CG 4.28Å; P197-L346 HydrophobicContact CG-CD2 4.27Å; P342-L346 HydrophobicContact CB-CD1 4.29Å; P342-L346 VanDerWaalsContact O-CB 3.24Å; P342-L346 WeakPolarHBondContact O-CB 3.48Å; P342-L346 WeakPolarHBondContact O-CD1 3.47Å; P342-L346 VanDerWaalsContact O-CG 3.23Å; P342-L346 WeakPolarHBondContact O-CG 3.38Å; P342-L346 PolarHBondContact O-N 3.35Å; L346-F348 PolarHBondContact O-N 2.98Å
347T98.6Very high98.2Very high27 Ų2736.7 Ų36.717%0.16616%0.163CC..SBendtrans-70.6118.7179.6-59.40000111.2P17 K225 K343 W345P17-T347 WeakPolarHBondContact CB-OG1 3.49Å; P17-T347 HydrophobicContact CG-CG2 3.79Å; P17-T347 WeakPolarHBondContact CG-OG1 2.8Å; K225-T347 PolarHBondContact NZ-O 2.91Å; K343-T347 WeakPolarHBondContact O-CB 3.42Å; K343-T347 PolarHBondContact O-N 2.67Å; K343-T347 PolarHBondContact O-OG1 3.17Å; W345-T347 PolarHBondContact O-N 3.17Å
348F97.8Very high98.2Very high3 Ų339.7 Ų39.71%0.01318%0.177CC..  trans-61.5143176.7-80.6-116.3000111.1L4 G6 K7 Q9 I153 G165 C196 P197 L346L4-F348 HydrophobicContact CB-CB 3.96Å; L4-F348 HydrophobicContact CB-CD1 3.71Å; L4-F348 HydrophobicContact CB-CE1 4.39Å; L4-F348 HydrophobicContact CB-CG 3.92Å; L4-F348 HydrophobicContact CD1-CD1 3.84Å; L4-F348 HydrophobicContact CD1-CE1 3.72Å; L4-F348 HydrophobicContact CG-CD1 4.32Å; L4-F348 WeakPolarHBondContact O-CB 3.44Å; G6-F348 PolarHBondContact N-O 3.49Å; K7-F348 PolarHBondContact O-N 3.05Å; Q9-F348 HydrophobicContact CB-CE2 4.28Å; I153-F348 HydrophobicContact CG2-CE1 3.82Å; I153-F348 HydrophobicContact CG2-CZ 3.99Å; G165-F348 VanDerWaalsContact O-CE2 3.24Å; G165-F348 WeakPolarHBondContact O-CE2 3.49Å; C196-F348 HydrophobicContact CB-CD1 3.89Å; C196-F348 HydrophobicContact CB-CE1 3.31Å; C196-F348 HydrophobicContact CB-CZ 3.71Å; P197-F348 HydrophobicContact CG-CE2 4.44Å; L346-F348 PolarHBondContact O-N 2.98Å
349K93.1Very high98.1Very high158 Ų15843.2 Ų43.269%0.68719%0.192SC*.  trans-75.50178.6-75.4-173.6171.3-175.20113.3G5 G195 D222 K225G5-K349 WeakPolarHBondContact CA-O 3.28Å; G195-K349 PolarHBondContact O-N 3.18Å; D222-K349 IonicContact OD2-NZ 2.96Å; D222-K349 PolarHBondContact OD2-NZ 3.4Å; K225-K349 HydrophobicContact CD-CD 4.46Å; K225-K349 HydrophobicContact CD-CG 4.48Å; K225-K349 HydrophobicContact CG-CD 4.23Å

Retrieved 349 of 349 residues in 178.8 ms (Link to these results)

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