A0A077ZLK1_TRITR Loading...

Cell division protein kinase 5

AlphaFold DB , UniProt , Accession A0A077ZLK1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 203 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
1M94.9Very high96.7Very high42 Ų4249.6 Ų49.621%0.20723%0.228CC..  0-53.50-159.259.8-150.700113.4Q3 L4 L5 F86 L177 F197M1-Q3 VanDerWaalsContact C-N 3.35Å; M1-Q3 PolarHBondContact O-N 3.13Å; M1-L4 HydrophobicContact CE-CD2 3.81Å; M1-L4 HydrophobicContact CE-CG 4.17Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 2.71Å; M1-L4 HydrophobicContact SD-CD2 4.05Å; M1-L5 HydrophobicContact CE-CD1 4Å; M1-L5 HydrophobicContact CE-CD2 3.56Å; M1-L5 HydrophobicContact CE-CG 3.51Å; M1-L5 HydrophobicContact CG-CD1 4.08Å; M1-L5 HydrophobicContact CG-CG 4.36Å; M1-L5 PolarHBondContact O-N 3.28Å; M1-F86 HydrophobicContact CB-CD2 4.2Å; M1-F86 HydrophobicContact CB-CE2 4.28Å; M1-F86 HydrophobicContact CE-CB 4.35Å; M1-F86 HydrophobicContact CG-CD1 4.37Å; M1-F86 HydrophobicContact CG-CD2 4.07Å; M1-F86 HydrophobicContact CG-CE2 4.36Å; M1-F86 HydrophobicContact CG-CG 4.08Å; M1-F86 HydrophobicContact SD-CB 3.58Å; M1-F86 VanDerWaalsContact SD-CB 3.58Å; M1-F86 HydrophobicContact SD-CD1 4.38Å; M1-F86 HydrophobicContact SD-CD2 4.01Å; M1-F86 HydrophobicContact SD-CG 3.74Å; M1-L177 HydrophobicContact CE-CD1 4.41Å; M1-F197 HydrophobicContact CB-CE1 4.19Å; M1-F197 HydrophobicContact CB-CZ 4.06Å; M1-F197 HydrophobicContact CG-CZ 3.92Å
2F96Very high96.6Very high34 Ų3447.3 Ų47.315%0.14922%0.217CC..Hα-helixtrans-51.2-49.7-178.8-171.8-92.1000113.3L4 L5 R6 L192 F197 F200 I202F2-L4 VanDerWaalsContact C-N 3.33Å; F2-L4 PolarHBondContact O-N 2.96Å; F2-L5 PolarHBondContact O-N 3.47Å; F2-R6 WeakPolarHBondContact O-CB 3.48Å; F2-R6 PolarHBondContact O-N 2.97Å; F2-L192 HydrophobicContact CD2-CD2 3.92Å; F2-L192 HydrophobicContact CE2-CD2 3.75Å; F2-L192 HydrophobicContact CG-CD2 4.42Å; F2-L192 HydrophobicContact CZ-CD2 4.1Å; F2-F197 HydrophobicContact CB-CD1 4.08Å; F2-F197 HydrophobicContact CB-CE1 3.87Å; F2-F197 HydrophobicContact CB-CZ 4.5Å; F2-F197 HydrophobicContact CD2-CB 4.18Å; F2-F197 AromaticContact CD2-CD1 3.82Å; F2-F197 HydrophobicContact CD2-CD1 3.82Å; F2-F197 HydrophobicContact CD2-CD2 4.3Å; F2-F197 HydrophobicContact CD2-CE1 4.27Å; F2-F197 AromaticContact CD2-CG 3.84Å; F2-F197 HydrophobicContact CD2-CG 3.84Å; F2-F197 HydrophobicContact CG-CD1 4.45Å; F2-F200 HydrophobicContact CB-CD1 4.46Å; F2-F200 HydrophobicContact CB-CE1 4.16Å; F2-F200 HydrophobicContact CB-CZ 4.45Å; F2-F200 HydrophobicContact CD1-CD1 4.21Å; F2-F200 AromaticContact CD1-CE1 3.67Å; F2-F200 HydrophobicContact CD1-CE1 3.67Å; F2-F200 HydrophobicContact CD1-CZ 4.48Å; F2-F200 AromaticContact CD2-CD1 3.97Å; F2-F200 HydrophobicContact CD2-CD1 3.97Å; F2-F200 HydrophobicContact CD2-CE1 4.24Å; F2-F200 HydrophobicContact CE1-CD1 4.49Å; F2-F200 HydrophobicContact CE1-CE1 4.11Å; F2-F200 HydrophobicContact CE2-CD1 4.25Å; F2-F200 AromaticContact CG-CD1 3.95Å; F2-F200 HydrophobicContact CG-CD1 3.95Å; F2-F200 AromaticContact CG-CE1 3.75Å; F2-F200 HydrophobicContact CG-CE1 3.75Å; F2-F200 HydrophobicContact CG-CZ 4.49Å; F2-I202 HydrophobicContact CE1-CD1 4Å; F2-I202 HydrophobicContact CE1-CG1 4.17Å; F2-I202 HydrophobicContact CZ-CD1 3.6Å; F2-I202 HydrophobicContact CZ-CG1 4.01Å
3Q96.4Very high96.6Very high86 Ų8649.2 Ų49.240%0.40224%0.239SC..Hα-helixtrans-60.8-38.1178.3-58.5-170.159.900113.3M1 R6 G7 M32 L34M1-Q3 VanDerWaalsContact C-N 3.35Å; M1-Q3 PolarHBondContact O-N 3.13Å; Q3-R6 PolarHBondContact O-N 3.33Å; Q3-G7 PolarHBondContact O-N 3.3Å; Q3-M32 PolarHBondContact NE2-O 2.95Å; Q3-L34 HydrophobicContact CB-CB 3.87Å
4L97.7Very high96.4Very high2 Ų253.5 Ų53.51%0.0126%0.259CS..Hα-helixtrans-63.4-51.8175.9169.557.2000110.7M1 F2 R6 G7 L8 L21 L26 L34 L36 I85M1-L4 HydrophobicContact CE-CD2 3.81Å; M1-L4 HydrophobicContact CE-CG 4.17Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 2.71Å; M1-L4 HydrophobicContact SD-CD2 4.05Å; F2-L4 VanDerWaalsContact C-N 3.33Å; F2-L4 PolarHBondContact O-N 2.96Å; L4-R6 VanDerWaalsContact C-N 3.28Å; L4-R6 PolarHBondContact O-N 2.93Å; L4-G7 PolarHBondContact O-N 3.08Å; L4-G7 VanDerWaalsContact O-N 3.17Å; L4-L8 HydrophobicContact CD1-CD1 4.03Å; L4-L8 HydrophobicContact CD1-CG 4.13Å; L4-L8 HydrophobicContact CG-CD1 4.33Å; L4-L8 WeakPolarHBondContact O-CG 3.4Å; L4-L8 PolarHBondContact O-N 2.7Å; L4-L21 HydrophobicContact CD1-CD2 4.24Å; L4-L26 HydrophobicContact CD1-CD1 4.49Å; L4-L26 HydrophobicContact CD1-CD2 3.88Å; L4-L26 HydrophobicContact CD2-CD1 4.16Å; L4-L34 HydrophobicContact CB-CD1 4.34Å; L4-L36 HydrophobicContact CD1-CD2 3.59Å; L4-I85 HydrophobicContact CD2-CB 4.5Å; L4-I85 HydrophobicContact CD2-CG2 4.15Å
5L98Very high96Very high0 Ų056.3 Ų56.30%028%0.276CS..Hα-helixtrans-62.6-36.5178.7-67.2172.2000112.1M1 F2 L8 A9 M79 L173 A191 L192 F197M1-L5 HydrophobicContact CE-CD1 4Å; M1-L5 HydrophobicContact CE-CD2 3.56Å; M1-L5 HydrophobicContact CE-CG 3.51Å; M1-L5 HydrophobicContact CG-CD1 4.08Å; M1-L5 HydrophobicContact CG-CG 4.36Å; M1-L5 PolarHBondContact O-N 3.28Å; F2-L5 PolarHBondContact O-N 3.47Å; L5-L8 PolarHBondContact O-N 3.08Å; L5-A9 WeakPolarHBondContact O-CB 3.36Å; L5-A9 PolarHBondContact O-N 3.32Å; L5-M79 HydrophobicContact CD2-CE 3.69Å; L5-L173 HydrophobicContact CD1-CD2 4.49Å; L5-A191 HydrophobicContact CD1-CB 3.84Å; L5-A191 HydrophobicContact CD2-CB 3.95Å; L5-A191 HydrophobicContact CG-CB 4.46Å; L5-L192 HydrophobicContact CB-CD2 3.75Å; L5-L192 HydrophobicContact CB-CG 3.97Å; L5-F197 HydrophobicContact CD1-CE2 3.49Å; L5-F197 VanDerWaalsContact CD1-CE2 3.49Å; L5-F197 HydrophobicContact CD1-CZ 3.65Å
6R97Very high95.6Very high169 Ų16955.5 Ų55.564%0.63828%0.275SS*.Hα-helixtrans-63-43.9174.5-172.5-178178-158.50.7111.6F2 Q3 L4 Y10 L192F2-R6 WeakPolarHBondContact O-CB 3.48Å; F2-R6 PolarHBondContact O-N 2.97Å; Q3-R6 PolarHBondContact O-N 3.33Å; L4-R6 VanDerWaalsContact C-N 3.28Å; L4-R6 PolarHBondContact O-N 2.93Å; R6-Y10 PolarHBondContact O-N 3.16Å; R6-Y10 VanDerWaalsContact O-N 3.12Å; R6-L192 HydrophobicContact CB-CD2 4.27Å
7G97Very high95.3Very high22 Ų2252.6 Ų52.623%0.22726%0.261CS..Hα-helixtrans-60.1-44.8173.700000112.2Q3 L4 Y10 C11Q3-G7 PolarHBondContact O-N 3.3Å; L4-G7 PolarHBondContact O-N 3.08Å; L4-G7 VanDerWaalsContact O-N 3.17Å; G7-Y10 WeakPolarHBondContact O-CB 3.49Å; G7-Y10 PolarHBondContact O-N 2.99Å; G7-C11 PolarHBondContact O-N 3.12Å; G7-C11 PolarHBondContact O-SG 3.1Å; G7-C11 VanDerWaalsContact O-SG 3.33Å
8L97.4Very high95.1Very high0 Ų049.7 Ų49.70%025%0.246CC..Hα-helixtrans-67.4-42.7178.2-65.3177.7000112.9L4 L5 Y10 C11 H12 L21 L36 D78 M79 A188L4-L8 HydrophobicContact CD1-CD1 4.03Å; L4-L8 HydrophobicContact CD1-CG 4.13Å; L4-L8 HydrophobicContact CG-CD1 4.33Å; L4-L8 WeakPolarHBondContact O-CG 3.4Å; L4-L8 PolarHBondContact O-N 2.7Å; L5-L8 PolarHBondContact O-N 3.08Å; L8-Y10 PolarHBondContact O-N 3.3Å; L8-C11 PolarHBondContact O-N 3.31Å; L8-C11 VanDerWaalsContact O-N 3.16Å; L8-H12 VanDerWaalsContact O-CB 3.27Å; L8-H12 WeakPolarHBondContact O-CB 3.45Å; L8-H12 PolarHBondContact O-CD2 3.24Å; L8-H12 PolarHBondContact O-N 3.04Å; L8-L21 HydrophobicContact CD1-CD1 3.78Å; L8-L21 HydrophobicContact CD2-CD1 3.63Å; L8-L21 HydrophobicContact CD2-CD2 4.24Å; L8-L21 HydrophobicContact CD2-CG 4.41Å; L8-L21 HydrophobicContact CG-CD1 4.31Å; L8-L36 HydrophobicContact CD2-CD1 3.77Å; L8-L36 HydrophobicContact CG-CD1 4.34Å; L8-D78 HydrophobicContact CD1-CB 4.46Å; L8-D78 HydrophobicContact CD2-CB 4.21Å; L8-M79 HydrophobicContact CD1-SD 4.37Å; L8-A188 HydrophobicContact CB-CB 4.13Å
9A97.5Very high94.7Very high21 Ų2147.9 Ų47.917%0.17424%0.237CC..Hα-helixtrans-56.9-41.6175.200000111.1L5 S13 A188 L192L5-A9 WeakPolarHBondContact O-CB 3.36Å; L5-A9 PolarHBondContact O-N 3.32Å; A9-S13 WeakPolarHBondContact O-CB 3.32Å; A9-S13 PolarHBondContact O-N 2.81Å; A9-A188 HydrophobicContact CB-CB 3.82Å; A9-L192 HydrophobicContact CB-CD1 3.7Å
10Y96.9Very high94.4Very high157 Ų15746 Ų4662%0.61623%0.227SC*.Hα-helixtrans-62-54.4173.2-178.7-98.8000111.9R6 G7 L8 H12 S13 Q14R6-Y10 PolarHBondContact O-N 3.16Å; R6-Y10 VanDerWaalsContact O-N 3.12Å; G7-Y10 WeakPolarHBondContact O-CB 3.49Å; G7-Y10 PolarHBondContact O-N 2.99Å; L8-Y10 PolarHBondContact O-N 3.3Å; Y10-H12 VanDerWaalsContact C-N 3.29Å; Y10-H12 PolarHBondContact O-N 3.35Å; Y10-S13 PolarHBondContact O-N 3.09Å; Y10-S13 PolarHBondContact O-OG 2.72Å; Y10-Q14 HydrophobicContact CE1-CG 4.08Å; Y10-Q14 HydrophobicContact CE2-CG 4.25Å; Y10-Q14 WeakPolarHBondContact O-CG 3.43Å; Y10-Q14 PolarHBondContact O-N 2.93Å; Y10-Q14 VanDerWaalsContact O-N 3.1Å
11C95.4Very high94.4Very high13 Ų1343.8 Ų43.89%0.08822%0.216CC..Hα-helixtrans-53.7-47.1178.1-67.70000111.9G7 L8 S13 Q14 N15 V16G7-C11 PolarHBondContact O-N 3.12Å; G7-C11 PolarHBondContact O-SG 3.1Å; G7-C11 VanDerWaalsContact O-SG 3.33Å; L8-C11 PolarHBondContact O-N 3.31Å; L8-C11 VanDerWaalsContact O-N 3.16Å; C11-S13 PolarHBondContact O-N 3.01Å; C11-Q14 CarbonylContact O-C 3.56Å; C11-Q14 WeakPolarHBondContact O-CA 3.37Å; C11-Q14 PolarHBondContact O-N 3.2Å; C11-Q14 VanDerWaalsContact O-N 3.08Å; C11-N15 PolarHBondContact O-N 3.24Å; C11-V16 CarbonylContact C-O 3.45Å; C11-V16 HydrophobicContact CB-CB 4.38Å; C11-V16 WeakPolarHBondContact O-CB 3.47Å; C11-V16 PolarHBondContact O-N 3.45Å
12H95.5Very high94.3Very high21 Ų2143.6 Ų43.610%0.09721%0.214CC..Hα-helixtrans-64.7-40.6-178.8-66.4176.7000111.9L8 Y10 Q14 N15 V16 T75 D78L8-H12 VanDerWaalsContact O-CB 3.27Å; L8-H12 WeakPolarHBondContact O-CB 3.45Å; L8-H12 PolarHBondContact O-CD2 3.24Å; L8-H12 PolarHBondContact O-N 3.04Å; Y10-H12 VanDerWaalsContact C-N 3.29Å; Y10-H12 PolarHBondContact O-N 3.35Å; H12-Q14 PolarHBondContact O-N 3.49Å; H12-N15 WeakPolarHBondContact O-CA 3.48Å; H12-N15 PolarHBondContact O-N 3.08Å; H12-V16 PolarHBondContact CD2-O 2.84Å; H12-T75 HydrophobicContact CB-CG2 3.68Å; H12-T75 WeakPolarHBondContact ND1-CG2 3.48Å; H12-D78 IonicContact CD2-OD2 3.63Å; H12-D78 IonicContact CE1-OD2 3.75Å; H12-D78 IonicContact NE2-OD2 3.63Å; H12-D78 PolarHBondContact NE2-OD2 2.92Å
13S95.7Very high94.2Very high72 Ų7243.9 Ų43.950%0.50322%0.219SC..Hα-helixtrans-62.4-28173.1780000113.4A9 Y10 C11 N15A9-S13 WeakPolarHBondContact O-CB 3.32Å; A9-S13 PolarHBondContact O-N 2.81Å; Y10-S13 PolarHBondContact O-N 3.09Å; Y10-S13 PolarHBondContact O-OG 2.72Å; C11-S13 PolarHBondContact O-N 3.01Å; S13-N15 PolarHBondContact O-N 2.99Å
14Q94.3Very high94Very high110 Ų11045.7 Ų45.751%0.51423%0.228SC..THydrogen-bonded Turntrans-8912.8175.5-61.2-52.2-65.800112.3Y10 C11 H12 V16Y10-Q14 HydrophobicContact CE1-CG 4.08Å; Y10-Q14 HydrophobicContact CE2-CG 4.25Å; Y10-Q14 WeakPolarHBondContact O-CG 3.43Å; Y10-Q14 PolarHBondContact O-N 2.93Å; Y10-Q14 VanDerWaalsContact O-N 3.1Å; C11-Q14 CarbonylContact O-C 3.56Å; C11-Q14 WeakPolarHBondContact O-CA 3.37Å; C11-Q14 PolarHBondContact O-N 3.2Å; C11-Q14 VanDerWaalsContact O-N 3.08Å; H12-Q14 PolarHBondContact O-N 3.49Å; Q14-V16 HydrophobicContact CB-CG2 4.36Å; Q14-V16 PolarHBondContact O-N 3.47Å
15N89.9Confident93.8Very high96 Ų9646.2 Ų46.251%0.51323%0.231SC..THydrogen-bonded Turntrans5734.5-175.9-62.3-67000113.3C11 H12 S13 A44 F45C11-N15 PolarHBondContact O-N 3.24Å; H12-N15 WeakPolarHBondContact O-CA 3.48Å; H12-N15 PolarHBondContact O-N 3.08Å; S13-N15 PolarHBondContact O-N 2.99Å; N15-A44 CarbonylContact O-C 3.59Å; N15-A44 WeakPolarHBondContact O-CA 3.47Å; N15-F45 VanDerWaalsContact C-CD2 3.49Å; N15-F45 HydrophobicContact CB-CB 4.19Å; N15-F45 HydrophobicContact CB-CD2 3.88Å; N15-F45 HydrophobicContact CB-CG 4.48Å; N15-F45 WeakPolarHBondContact O-CD2 3.27Å; N15-F45 PolarHBondContact O-N 3.11Å; N15-F45 VanDerWaalsContact O-N 3.08Å
16V90.4Very high93.7Very high43 Ų4347.5 Ų47.526%0.26124%0.237SC..EExtended strand (participates in β ladder)trans-111.1125.6177.8178.50000110.6C11 H12 Q14 F39 A42C11-V16 CarbonylContact C-O 3.45Å; C11-V16 HydrophobicContact CB-CB 4.38Å; C11-V16 WeakPolarHBondContact O-CB 3.47Å; C11-V16 PolarHBondContact O-N 3.45Å; H12-V16 PolarHBondContact CD2-O 2.84Å; Q14-V16 HydrophobicContact CB-CG2 4.36Å; Q14-V16 PolarHBondContact O-N 3.47Å; V16-F39 HydrophobicContact CG1-CD1 4.07Å; V16-F39 HydrophobicContact CG1-CE1 4.09Å; V16-A42 HydrophobicContact CG1-CB 4.1Å
17L89.9Confident93.6Very high6 Ų644 Ų443%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-94134.5167.9-65.7166.6000109.9R19 A42 R43 F45 N74 T75L17-R19 HydrophobicContact CB-CG 3.76Å; L17-A42 WeakPolarHBondContact O-CA 3.46Å; L17-A42 VanDerWaalsContact O-CB 3.31Å; L17-A42 WeakPolarHBondContact O-CB 3.43Å; L17-R43 PolarHBondContact N-O 3.43Å; L17-R43 PolarHBondContact O-N 3.46Å; L17-F45 HydrophobicContact CD1-CE1 4.45Å; L17-F45 HydrophobicContact CD1-CE2 4.41Å; L17-F45 HydrophobicContact CD1-CZ 4.19Å; L17-F45 HydrophobicContact CD2-CE1 4.37Å; L17-F45 HydrophobicContact CD2-CE2 3.84Å; L17-F45 HydrophobicContact CD2-CZ 3.51Å; L17-F45 HydrophobicContact CG-CD2 4.42Å; L17-F45 HydrophobicContact CG-CE2 3.77Å; L17-F45 HydrophobicContact CG-CZ 3.82Å; L17-N74 VanDerWaalsContact CD2-O 3.27Å; L17-N74 WeakPolarHBondContact CD2-O 3.19Å; L17-T75 VanDerWaalsContact CD2-CA 3.47Å; L17-T75 HydrophobicContact CD2-CG2 4.44Å
18H91.3Very high93.5Very high0 Ų047.8 Ų47.80%025%0.246CC..  trans-79.5-47.9177.2-173.4-42.8000112.2D20 L21 A37 D38 L41 D78H18-D20 PolarHBondContact CE1-O 2.94Å; H18-D20 PolarHBondContact ND1-N 3.32Å; H18-D20 PolarHBondContact O-N 2.97Å; H18-L21 HydrophobicContact CB-CD2 4.47Å; H18-L21 HydrophobicContact CB-CG 4.14Å; H18-L21 VanDerWaalsContact CD2-CD2 3.46Å; H18-L21 WeakPolarHBondContact CD2-CD2 3.49Å; H18-A37 PolarHBondContact CE1-O 2.95Å; H18-A37 VanDerWaalsContact CE1-O 3.27Å; H18-A37 PolarHBondContact NE2-O 2.77Å; H18-D38 PolarHBondContact CE1-O 3.35Å; H18-D38 VanDerWaalsContact CE1-O 3.23Å; H18-L41 CarbonylContact O-C 3.5Å; H18-D78 PolarHBondContact N-OD1 2.8Å; H18-D78 PolarHBondContact N-OD2 2.82Å
19R89.3Confident93.4Very high17 Ų1750.5 Ų50.56%0.06426%0.26CS..  trans64.2-2176-51.5-170.8-69.9152.42117.6L17 L41 R43 V57 D78L17-R19 HydrophobicContact CB-CG 3.76Å; R19-L41 PolarHBondContact NE-O 3.17Å; R19-L41 PolarHBondContact NH2-O 3.19Å; R19-R43 VanDerWaalsContact NH2-CG 3.33Å; R19-V57 VanDerWaalsContact O-CG2 3.29Å; R19-V57 WeakPolarHBondContact O-CG2 3.27Å; R19-D78 PolarHBondContact N-OD1 3.33Å
20D88.5Confident93.2Very high9 Ų959.8 Ų59.85%0.04830%0.296CS..  trans-139.946.4173.4-16539.2000111.1H18 K22 N25 L41 T58H18-D20 PolarHBondContact CE1-O 2.94Å; H18-D20 PolarHBondContact ND1-N 3.32Å; H18-D20 PolarHBondContact O-N 2.97Å; D20-K22 PolarHBondContact O-N 3.37Å; D20-K22 IonicContact OD1-NZ 3.95Å; D20-K22 IonicContact OD2-NZ 2.9Å; D20-K22 PolarHBondContact OD2-NZ 3.36Å; D20-N25 PolarHBondContact O-ND2 3.47Å; D20-N25 PolarHBondContact OD2-ND2 2.9Å; D20-L41 HydrophobicContact CB-CB 4.47Å; D20-L41 HydrophobicContact CB-CD1 4.02Å; D20-T58 PolarHBondContact OD1-N 2.9Å; D20-T58 PolarHBondContact OD1-OG1 3.31Å
21L93.8Very high93.1Very high0 Ų056.7 Ų56.70%030%0.298CS..  trans-69.6121.4173.5-76.5171.4000110L4 L8 H18 L26 L36 Y61 D78 I85L4-L21 HydrophobicContact CD1-CD2 4.24Å; L8-L21 HydrophobicContact CD1-CD1 3.78Å; L8-L21 HydrophobicContact CD2-CD1 3.63Å; L8-L21 HydrophobicContact CD2-CD2 4.24Å; L8-L21 HydrophobicContact CD2-CG 4.41Å; L8-L21 HydrophobicContact CG-CD1 4.31Å; H18-L21 HydrophobicContact CB-CD2 4.47Å; H18-L21 HydrophobicContact CB-CG 4.14Å; H18-L21 VanDerWaalsContact CD2-CD2 3.46Å; H18-L21 WeakPolarHBondContact CD2-CD2 3.49Å; L21-L26 HydrophobicContact CD2-CD2 4.21Å; L21-L36 HydrophobicContact CD2-CD2 4.1Å; L21-Y61 WeakPolarHBondContact O-CB 3.47Å; L21-D78 HydrophobicContact CD1-CB 3.72Å; L21-D78 WeakPolarHBondContact CD1-O 3.36Å; L21-I85 HydrophobicContact CB-CD1 4.04Å
22K93.2Very high92.9Very high37 Ų3762.1 Ų62.116%0.16132%0.323CS..  trans-152.7158.8172.862.3-165.4-176.3-145.40108.8D20 Q24 N25 T58 Y61D20-K22 PolarHBondContact O-N 3.37Å; D20-K22 IonicContact OD1-NZ 3.95Å; D20-K22 IonicContact OD2-NZ 2.9Å; D20-K22 PolarHBondContact OD2-NZ 3.36Å; K22-Q24 HydrophobicContact CG-CB 4.32Å; K22-Q24 VanDerWaalsContact CG-OE1 3.29Å; K22-Q24 PolarHBondContact O-N 3.03Å; K22-Q24 VanDerWaalsContact O-N 3.11Å; K22-N25 WeakPolarHBondContact CE-ND2 3.39Å; K22-N25 WeakPolarHBondContact CE-OD1 3.22Å; K22-N25 HydrophobicContact CG-CB 4.12Å; K22-N25 PolarHBondContact O-N 3.3Å; K22-T58 WeakPolarHBondContact CD-OG1 3.32Å; K22-Y61 HydrophobicContact CB-CD2 3.8Å; K22-Y61 HydrophobicContact CB-CE2 3.71Å; K22-Y61 HydrophobicContact CB-CG 4.49Å
23P93.6Very high92.9Very high40 Ų4065.7 Ų65.726%0.2634%0.34SS..G310 helixtrans-53.2-35.5-177.6-27.835.4000113.8N25 L26 Y61 I85P23-N25 PolarHBondContact O-N 3.2Å; P23-L26 PolarHBondContact O-N 3.35Å; P23-L26 VanDerWaalsContact O-N 3.08Å; P23-Y61 WeakPolarHBondContact CD-OH 3.22Å; P23-Y61 HydrophobicContact CG-CE1 4.32Å; P23-Y61 WeakPolarHBondContact CG-OH 3.25Å; P23-I85 HydrophobicContact CG-CG1 4.38Å
24Q92.2Very high92.9Very high125 Ų12564 Ų6458%0.58433%0.325SS*.G310 helixtrans-64.5-23.6179-58.679.47.500113K22 L26K22-Q24 HydrophobicContact CG-CB 4.32Å; K22-Q24 VanDerWaalsContact CG-OE1 3.29Å; K22-Q24 PolarHBondContact O-N 3.03Å; K22-Q24 VanDerWaalsContact O-N 3.11Å; Q24-L26 VanDerWaalsContact C-N 3.34Å
25N94.1Very high92.9Very high13 Ų1364.6 Ų64.67%0.0733%0.326CS..G310 helixtrans-93.15.7178.8-69-3.2000112.4D20 K22 P23 A37 D38D20-N25 PolarHBondContact O-ND2 3.47Å; D20-N25 PolarHBondContact OD2-ND2 2.9Å; K22-N25 WeakPolarHBondContact CE-ND2 3.39Å; K22-N25 WeakPolarHBondContact CE-OD1 3.22Å; K22-N25 HydrophobicContact CG-CB 4.12Å; K22-N25 PolarHBondContact O-N 3.3Å; P23-N25 PolarHBondContact O-N 3.2Å; N25-A37 PolarHBondContact O-N 3.08Å; N25-D38 HydrophobicContact CB-CB 4.47Å
26L95Very high93.1Very high26 Ų2661.3 Ų61.314%0.13631%0.309CS..EExtended strand (participates in β ladder)trans-105.292.2174.8-54.5-173.3000109.7L4 L21 P23 Q24 L34 L36 I85L4-L26 HydrophobicContact CD1-CD1 4.49Å; L4-L26 HydrophobicContact CD1-CD2 3.88Å; L4-L26 HydrophobicContact CD2-CD1 4.16Å; L21-L26 HydrophobicContact CD2-CD2 4.21Å; P23-L26 PolarHBondContact O-N 3.35Å; P23-L26 VanDerWaalsContact O-N 3.08Å; Q24-L26 VanDerWaalsContact C-N 3.34Å; L26-L34 HydrophobicContact CB-CD1 4.22Å; L26-L34 HydrophobicContact CB-CG 4.41Å; L26-L34 HydrophobicContact CD1-CD1 4.28Å; L26-L34 HydrophobicContact CD2-CD2 4.39Å; L26-L36 HydrophobicContact CD2-CD2 3.4Å; L26-L36 VanDerWaalsContact CD2-CD2 3.4Å; L26-I85 HydrophobicContact CD1-CD1 4.12Å; L26-I85 HydrophobicContact CD1-CG2 3.76Å
27L95.5Very high93.2Very high95 Ų9560.4 Ų60.450%0.49731%0.305SS..EExtended strand (participates in β ladder)trans-82.1142.7-178.2-54.2-175.9000110.6L34 K35 A37L27-L34 CarbonylContact O-C 3.36Å; L27-L34 WeakPolarHBondContact O-CA 3.12Å; L27-K35 PolarHBondContact N-O 2.92Å; L27-K35 PolarHBondContact O-N 3.29Å; L27-A37 HydrophobicContact CD1-CB 3.53Å; L27-A37 HydrophobicContact CD2-CB 4.48Å; L27-A37 HydrophobicContact CG-CB 3.67Å
28L94.5Very high92.9Very high103 Ų10363.9 Ų63.954%0.53932%0.324SS..EExtended strand (participates in β ladder)trans-113.3134.2171.9-68.3169.8000109.5M32 E33 L34L28-M32 HydrophobicContact CD1-CE 4.27Å; L28-E33 WeakPolarHBondContact CA-O 3.21Å; L28-L34 HydrophobicContact CD2-CB 3.96Å
29N94Very high92.5Very high57 Ų5767.9 Ų67.931%0.30534%0.341SS..  trans-87179.4168.573.87.9000111.5S31 M32 E33N29-S31 PolarHBondContact O-N 3.17Å; N29-S31 VanDerWaalsContact O-N 3.13Å; N29-S31 WeakPolarHBondContact OD1-CA 3.43Å; N29-S31 WeakPolarHBondContact OD1-CB 3.39Å; N29-S31 PolarHBondContact OD1-N 3.23Å; N29-M32 PolarHBondContact O-N 3.23Å; N29-M32 PolarHBondContact OD1-N 2.83Å; N29-E33 PolarHBondContact N-O 3.27Å; N29-E33 VanDerWaalsContact N-O 3.09Å; N29-E33 PolarHBondContact ND2-OE2 3.4Å; N29-E33 WeakPolarHBondContact OD1-CB 3.31Å; N29-E33 PolarHBondContact OD1-N 2.64Å
30K94.8Very high91.6Very high215 Ų21570.1 Ų70.194%0.93537%0.37SS*.THydrogen-bonded Turntrans-60.6-21.7179.7-64.1-175.5-179.9-179.30113.8M32K30-M32 VanDerWaalsContact C-N 3.33Å
31S94.6Very high90.5Very high92 Ų9272.6 Ų72.664%0.64338%0.383SS*.THydrogen-bonded Turntrans-93.211.3178.4-53.20000112.8N29 E33N29-S31 PolarHBondContact O-N 3.17Å; N29-S31 VanDerWaalsContact O-N 3.13Å; N29-S31 WeakPolarHBondContact OD1-CA 3.43Å; N29-S31 WeakPolarHBondContact OD1-CB 3.39Å; N29-S31 PolarHBondContact OD1-N 3.23Å; S31-E33 PolarHBondContact O-N 3.24Å
32M91.8Very high89Confident128 Ų12873.9 Ų73.963%0.63139%0.394SS*.  trans60.225.6-176.4-59.7-65.2-74.600113.7Q3 L28 N29 K30Q3-M32 PolarHBondContact NE2-O 2.95Å; L28-M32 HydrophobicContact CD1-CE 4.27Å; N29-M32 PolarHBondContact O-N 3.23Å; N29-M32 PolarHBondContact OD1-N 2.83Å; K30-M32 VanDerWaalsContact C-N 3.33Å
33E94.5Very high87.6Confident95 Ų9577.1 Ų77.144%0.44441%0.405SS..  trans-83.7126.9171-54.4178.6135.200109.6L28 N29 S31L28-E33 WeakPolarHBondContact CA-O 3.21Å; N29-E33 PolarHBondContact N-O 3.27Å; N29-E33 VanDerWaalsContact N-O 3.09Å; N29-E33 PolarHBondContact ND2-OE2 3.4Å; N29-E33 WeakPolarHBondContact OD1-CB 3.31Å; N29-E33 PolarHBondContact OD1-N 2.64Å; S31-E33 PolarHBondContact O-N 3.24Å
34L95.8Very high86Confident37 Ų3778 Ų7819%0.19442%0.415CS..EExtended strand (participates in β ladder)trans-82.5132.5177.2-175.9155.8000110.2Q3 L4 L26 L27 L28 L36Q3-L34 HydrophobicContact CB-CB 3.87Å; L4-L34 HydrophobicContact CB-CD1 4.34Å; L26-L34 HydrophobicContact CB-CD1 4.22Å; L26-L34 HydrophobicContact CB-CG 4.41Å; L26-L34 HydrophobicContact CD1-CD1 4.28Å; L26-L34 HydrophobicContact CD2-CD2 4.39Å; L27-L34 CarbonylContact O-C 3.36Å; L27-L34 WeakPolarHBondContact O-CA 3.12Å; L28-L34 HydrophobicContact CD2-CB 3.96Å; L34-L36 HydrophobicContact CD2-CD2 3.9Å
35K94.3Very high84.2Confident122 Ų12275.1 Ų75.153%0.5340%0.401SS..EExtended strand (participates in β ladder)trans-125.9133.8171-61.6-168.7-174-67.10109.9L27L27-K35 PolarHBondContact N-O 2.92Å; L27-K35 PolarHBondContact O-N 3.29Å
36L94.6Very high81.8Confident28 Ų2878.2 Ų78.215%0.14744%0.436CS..EExtended strand (participates in β ladder)trans-72.4134.9171.5-54.5-178.2000108.7L4 L8 L21 L26 L34 F39L4-L36 HydrophobicContact CD1-CD2 3.59Å; L8-L36 HydrophobicContact CD2-CD1 3.77Å; L8-L36 HydrophobicContact CG-CD1 4.34Å; L21-L36 HydrophobicContact CD2-CD2 4.1Å; L26-L36 HydrophobicContact CD2-CD2 3.4Å; L26-L36 VanDerWaalsContact CD2-CD2 3.4Å; L34-L36 HydrophobicContact CD2-CD2 3.9Å; L36-F39 HydrophobicContact CB-CE2 3.86Å; L36-F39 HydrophobicContact CB-CZ 3.92Å; L36-F39 HydrophobicContact CD1-CZ 4.47Å
37A91.3Very high79.4Confident23 Ų2382.1 Ų82.119%0.1946%0.456CS..  trans-128.1172.3178.100000110.8H18 N25 L27H18-A37 PolarHBondContact CE1-O 2.95Å; H18-A37 VanDerWaalsContact CE1-O 3.27Å; H18-A37 PolarHBondContact NE2-O 2.77Å; N25-A37 PolarHBondContact O-N 3.08Å; L27-A37 HydrophobicContact CD1-CB 3.53Å; L27-A37 HydrophobicContact CD2-CB 4.48Å; L27-A37 HydrophobicContact CG-CB 3.67Å
38D84.6Confident76.7Confident79 Ų7983.5 Ų83.542%0.42247%0.47SS..  trans57.664.4178.9-162.51.7000113.9H18 N25 G40H18-D38 PolarHBondContact CE1-O 3.35Å; H18-D38 VanDerWaalsContact CE1-O 3.23Å; N25-D38 HydrophobicContact CB-CB 4.47Å; D38-G40 PolarHBondContact O-N 3.39Å; D38-G40 PolarHBondContact OD1-N 3.38Å
39F82Confident74.4Confident84 Ų8481 Ų8137%0.36846%0.459SS..G310 helixtrans-79.820166.6-72.3-101.9000111.4V16 L36 L41 A42V16-F39 HydrophobicContact CG1-CD1 4.07Å; V16-F39 HydrophobicContact CG1-CE1 4.09Å; L36-F39 HydrophobicContact CB-CE2 3.86Å; L36-F39 HydrophobicContact CB-CZ 3.92Å; L36-F39 HydrophobicContact CD1-CZ 4.47Å; F39-L41 PolarHBondContact O-N 3.14Å; F39-A42 HydrophobicContact CB-CB 3.58Å; F39-A42 HydrophobicContact CD1-CB 3.52Å; F39-A42 HydrophobicContact CG-CB 4.01Å; F39-A42 WeakPolarHBondContact O-CB 3.41Å; F39-A42 PolarHBondContact O-N 3.4Å
40G70.2Confident71.7Confident65 Ų6589.4 Ų89.467%0.6749%0.487SS*.G310 helixtrans-61.1-25.3179.100000112.6D38D38-G40 PolarHBondContact O-N 3.39Å; D38-G40 PolarHBondContact OD1-N 3.38Å
41L66.9Low68.9Low60 Ų6084.3 Ų84.331%0.31448%0.477SS..G310 helixtrans-106.118.6171.2-56180000111.9H18 R19 D20 F39 V56H18-L41 CarbonylContact O-C 3.5Å; R19-L41 PolarHBondContact NE-O 3.17Å; R19-L41 PolarHBondContact NH2-O 3.19Å; D20-L41 HydrophobicContact CB-CB 4.47Å; D20-L41 HydrophobicContact CB-CD1 4.02Å; F39-L41 PolarHBondContact O-N 3.14Å; L41-V56 HydrophobicContact CB-CG1 4.05Å; L41-V56 HydrophobicContact CD1-CG1 3.61Å; L41-V56 WeakPolarHBondContact CD1-O 3.14Å; L41-V56 HydrophobicContact CD2-CG1 3.8Å; L41-V56 HydrophobicContact CG-CG1 4.01Å
42A62.2Low66.6Low28 Ų2881.5 Ų81.523%0.23145%0.452CS..  trans-78.115217800000112.9V16 L17 F39V16-A42 HydrophobicContact CG1-CB 4.1Å; L17-A42 WeakPolarHBondContact O-CA 3.46Å; L17-A42 VanDerWaalsContact O-CB 3.31Å; L17-A42 WeakPolarHBondContact O-CB 3.43Å; F39-A42 HydrophobicContact CB-CB 3.58Å; F39-A42 HydrophobicContact CD1-CB 3.52Å; F39-A42 HydrophobicContact CG-CB 4.01Å; F39-A42 WeakPolarHBondContact O-CB 3.41Å; F39-A42 PolarHBondContact O-N 3.4Å
43R63.1Low64.3Low105 Ų10579 Ų7940%0.39645%0.447SS..EExtended strand (participates in β ladder)trans-150.9152.5176.6-98.4-174178166.1-0.9113.3L17 R19L17-R43 PolarHBondContact N-O 3.43Å; L17-R43 PolarHBondContact O-N 3.46Å; R19-R43 VanDerWaalsContact NH2-CG 3.33Å
44A60.3Low62.2Low57 Ų5776.4 Ų76.447%0.47144%0.443SS..EExtended strand (participates in β ladder)trans-73.2146.817200000112.3N15 I47N15-A44 CarbonylContact O-C 3.59Å; N15-A44 WeakPolarHBondContact O-CA 3.47Å; A44-I47 HydrophobicContact CB-CD1 4.3Å
45F53.8Low60.2Low66 Ų6682.4 Ų82.429%0.28947%0.47SS..THydrogen-bonded Turntrans-62151.4173.1-85-92.9000113N15 L17 I47 N74 T75N15-F45 VanDerWaalsContact C-CD2 3.49Å; N15-F45 HydrophobicContact CB-CB 4.19Å; N15-F45 HydrophobicContact CB-CD2 3.88Å; N15-F45 HydrophobicContact CB-CG 4.48Å; N15-F45 WeakPolarHBondContact O-CD2 3.27Å; N15-F45 PolarHBondContact O-N 3.11Å; N15-F45 VanDerWaalsContact O-N 3.08Å; L17-F45 HydrophobicContact CD1-CE1 4.45Å; L17-F45 HydrophobicContact CD1-CE2 4.41Å; L17-F45 HydrophobicContact CD1-CZ 4.19Å; L17-F45 HydrophobicContact CD2-CE1 4.37Å; L17-F45 HydrophobicContact CD2-CE2 3.84Å; L17-F45 HydrophobicContact CD2-CZ 3.51Å; L17-F45 HydrophobicContact CG-CD2 4.42Å; L17-F45 HydrophobicContact CG-CE2 3.77Å; L17-F45 HydrophobicContact CG-CZ 3.82Å; F45-I47 VanDerWaalsContact C-N 3.3Å; F45-I47 PolarHBondContact O-N 2.94Å; F45-N74 HydrophobicContact CE1-CB 4.1Å; F45-T75 HydrophobicContact CE1-CG2 4.35Å; F45-T75 HydrophobicContact CE2-CG2 3.88Å; F45-T75 HydrophobicContact CZ-CG2 3.34Å
46G44.8Very low58.3Low77 Ų7778 Ų7879%0.79445%0.452SS*.THydrogen-bonded Turntrans79.4-0.516300000116.4P48G46-P48 VanDerWaalsContact O-CD 3.22Å; G46-P48 WeakPolarHBondContact O-CD 3.2Å
47I44.4Very low56.5Low108 Ų10877.1 Ų77.155%0.55445%0.449SS*.  trans-79.5110169.3-51.6-178.9000107.4A44 F45 V49A44-I47 HydrophobicContact CB-CD1 4.3Å; F45-I47 VanDerWaalsContact C-N 3.3Å; F45-I47 PolarHBondContact O-N 2.94Å; I47-V49 HydrophobicContact CB-CG2 4.34Å; I47-V49 HydrophobicContact CG2-CG2 3.95Å; I47-V49 WeakPolarHBondContact O-CG2 3.43Å; I47-V49 PolarHBondContact O-N 2.91Å; I47-V49 VanDerWaalsContact O-N 3.09Å
48P38.6Very low55.5Low125 Ų12578.4 Ų78.481%0.81245%0.454SS*.  trans-72.1107.1177.286.3000107.6G46G46-P48 VanDerWaalsContact O-CD 3.22Å; G46-P48 WeakPolarHBondContact O-CD 3.2Å
49V45Very low55.8Low49 Ų4976.1 Ų76.130%0.29744%0.442SS..  trans-105.5120.7180-161.30000109.7I47 C51I47-V49 HydrophobicContact CB-CG2 4.34Å; I47-V49 HydrophobicContact CG2-CG2 3.95Å; I47-V49 WeakPolarHBondContact O-CG2 3.43Å; I47-V49 PolarHBondContact O-N 2.91Å; I47-V49 VanDerWaalsContact O-N 3.09Å; V49-C51 PolarHBondContact O-N 3.24Å; V49-C51 VanDerWaalsContact O-N 3.15Å
50R38.5Very low56.4Low235 Ų23576.8 Ų76.889%0.88744%0.442SS*.SBendtrans-48.6116.5169.7-69.1176.9174.6179.7-1.8109.3
51C35.6Very low57.7Low108 Ų10873.9 Ų73.973%0.7341%0.41SS*.  trans52.496.7167-63.90000116.3V49V49-C51 PolarHBondContact O-N 3.24Å; V49-C51 VanDerWaalsContact O-N 3.15Å
52Y46Very low59Low32 Ų3272 Ų7213%0.12540%0.399CS..  trans-62.5131.9157.2-70.7-76000111K71 Y73Y52-K71 VanDerWaalsContact CD2-O 3.24Å; Y52-K71 WeakPolarHBondContact CD2-O 3.36Å; Y52-K71 WeakPolarHBondContact CE2-O 3.47Å; Y52-K71 PolarHBondContact O-NZ 3.49Å; Y52-Y73 VanDerWaalsContact CB-OH 3.27Å; Y52-Y73 WeakPolarHBondContact CB-OH 3.24Å; Y52-Y73 AromaticContact CD1-CD2 3.83Å; Y52-Y73 HydrophobicContact CD1-CD2 3.83Å; Y52-Y73 AromaticContact CD1-CE2 3.2Å; Y52-Y73 HydrophobicContact CD1-CE2 3.2Å; Y52-Y73 AromaticContact CD2-CD2 3.82Å; Y52-Y73 HydrophobicContact CD2-CD2 3.82Å; Y52-Y73 AromaticContact CD2-CE2 3.31Å; Y52-Y73 HydrophobicContact CD2-CE2 3.31Å; Y52-Y73 AromaticContact CD2-CZ 3.68Å; Y52-Y73 AromaticContact CE1-CD2 3.4Å; Y52-Y73 HydrophobicContact CE1-CD2 3.4Å; Y52-Y73 VanDerWaalsContact CE1-CD2 3.4Å; Y52-Y73 AromaticContact CE1-CE2 3.32Å; Y52-Y73 HydrophobicContact CE1-CE2 3.32Å; Y52-Y73 AromaticContact CE2-CD2 3.4Å; Y52-Y73 HydrophobicContact CE2-CD2 3.4Å; Y52-Y73 VanDerWaalsContact CE2-CD2 3.4Å; Y52-Y73 AromaticContact CE2-CE2 3.45Å; Y52-Y73 HydrophobicContact CE2-CE2 3.45Å; Y52-Y73 VanDerWaalsContact CE2-CE2 3.45Å; Y52-Y73 HydrophobicContact CE2-CG 4.1Å; Y52-Y73 AromaticContact CG-CD2 3.99Å; Y52-Y73 HydrophobicContact CG-CD2 3.99Å; Y52-Y73 AromaticContact CG-CE2 3.15Å; Y52-Y73 HydrophobicContact CG-CE2 3.15Å; Y52-Y73 AromaticContact CG-CZ 3.65Å; Y52-Y73 AromaticContact CZ-CD2 3.14Å; Y52-Y73 AromaticContact CZ-CE2 3.42Å; Y52-Y73 VanDerWaalsContact CZ-CE2 3.42Å; Y52-Y73 WeakPolarHBondContact OH-CD2 3.37Å
53S45Very low60.6Low75 Ų7570.6 Ų70.652%0.52439%0.388SS..  trans-72.3136.8156.151.80000107.9E55 V56S53-E55 PolarHBondContact O-N 2.86Å; S53-V56 WeakPolarHBondContact O-CG2 3.46Å
54A50.2Low62.1Low42 Ų4265.6 Ų65.635%0.34737%0.369SS..THydrogen-bonded Turntrans-69-1.6-17400000114V56 R62A54-V56 PolarHBondContact O-N 3.09Å; A54-R62 PolarHBondContact O-NH1 3.37Å; A54-R62 PolarHBondContact O-NH2 3.06Å
55E53Low63.8Low163 Ų16363.1 Ų63.176%0.76235%0.348SS*.THydrogen-bonded Turntrans-87.3-2.6-166.9-67.8-177.9158.400115.3S53 V57 R62S53-E55 PolarHBondContact O-N 2.86Å; E55-V57 PolarHBondContact O-N 3.34Å; E55-R62 PolarHBondContact O-NH2 3Å
56V53.3Low65.6Low28 Ų2860.2 Ų60.217%0.1734%0.336CS..SBendtrans-73.712.8-161.6-152.90000115.6L41 S53 A54L41-V56 HydrophobicContact CB-CG1 4.05Å; L41-V56 HydrophobicContact CD1-CG1 3.61Å; L41-V56 WeakPolarHBondContact CD1-O 3.14Å; L41-V56 HydrophobicContact CD2-CG1 3.8Å; L41-V56 HydrophobicContact CG-CG1 4.01Å; S53-V56 WeakPolarHBondContact O-CG2 3.46Å; A54-V56 PolarHBondContact O-N 3.09Å
57V57.4Low68Low11 Ų1156.9 Ų56.97%0.06730%0.299CS..SBendtrans-145.8141.7179.8-163.10000110R19 E55 L59 R62R19-V57 VanDerWaalsContact O-CG2 3.29Å; R19-V57 WeakPolarHBondContact O-CG2 3.27Å; E55-V57 PolarHBondContact O-N 3.34Å; V57-L59 PolarHBondContact O-N 3.05Å; V57-L59 VanDerWaalsContact O-N 3.1Å; V57-R62 HydrophobicContact CB-CB 4.2Å; V57-R62 HydrophobicContact CB-CG 4.17Å; V57-R62 HydrophobicContact CG1-CB 4.44Å; V57-R62 HydrophobicContact CG2-CG 4.18Å; V57-R62 PolarHBondContact O-NE 3.06Å; V57-R62 PolarHBondContact O-NH2 3.25Å
58T70.5Confident70.3Confident49 Ų4951.7 Ų51.730%0.30127%0.273SS..  trans-51120164.8-56.10000109.7D20 K22 W60 Y61D20-T58 PolarHBondContact OD1-N 2.9Å; D20-T58 PolarHBondContact OD1-OG1 3.31Å; K22-T58 WeakPolarHBondContact CD-OG1 3.32Å; T58-W60 PolarHBondContact O-N 3.09Å; T58-Y61 HydrophobicContact CG2-CD2 4.01Å; T58-Y61 HydrophobicContact CG2-CE2 4.08Å; T58-Y61 PolarHBondContact O-N 3.09Å
59L90.8Very high72.7Confident31 Ų3145.8 Ų45.816%0.16224%0.235CC..G310 helixtrans-49.2-38.3-164.7178.161.2000113.8V57 Y61 R62 L67 G99 D101 V102 Q105V57-L59 PolarHBondContact O-N 3.05Å; V57-L59 VanDerWaalsContact O-N 3.1Å; L59-Y61 PolarHBondContact O-N 2.65Å; L59-R62 WeakPolarHBondContact O-CB 3.49Å; L59-R62 PolarHBondContact O-N 2.8Å; L59-R62 VanDerWaalsContact O-N 3.17Å; L59-L67 HydrophobicContact CD1-CD2 3.7Å; L59-G99 WeakPolarHBondContact CD2-O 3.38Å; L59-D101 WeakPolarHBondContact CD2-O 3.47Å; L59-V102 HydrophobicContact CD1-CG2 4.23Å; L59-Q105 HydrophobicContact CD1-CB 3.91Å; L59-Q105 HydrophobicContact CD1-CG 3.94Å; L59-Q105 HydrophobicContact CD2-CB 4.45Å; L59-Q105 HydrophobicContact CG-CB 4.1Å; L59-Q105 HydrophobicContact CG-CG 4.14Å; L59-Q105 PolarHBondContact O-NE2 2.9Å
60W95.6Very high74.9Confident99 Ų9943.9 Ų43.938%0.37522%0.224SC..G310 helixtrans-65.4-23.8-173.9-57.1-8.8000114.4T58 P95 F97 P98 G99 Q105T58-W60 PolarHBondContact O-N 3.09Å; W60-P95 HydrophobicContact CE3-CB 3.8Å; W60-P95 HydrophobicContact CE3-CG 3.64Å; W60-P95 HydrophobicContact CH2-CG 4.45Å; W60-P95 HydrophobicContact CZ3-CB 4.17Å; W60-P95 HydrophobicContact CZ3-CG 3.49Å; W60-P95 VanDerWaalsContact CZ3-CG 3.49Å; W60-F97 VanDerWaalsContact CA-O 3.29Å; W60-F97 WeakPolarHBondContact CA-O 3.27Å; W60-F97 WeakPolarHBondContact CB-O 3.44Å; W60-P98 HydrophobicContact CD2-CB 4.14Å; W60-P98 HydrophobicContact CH2-CB 4.45Å; W60-P98 HydrophobicContact CZ2-CB 4.07Å; W60-G99 PolarHBondContact NE1-O 3.15Å; W60-Q105 PolarHBondContact O-NE2 3.06Å
61Y96.1Very high77Confident3 Ų337.2 Ų37.21%0.01220%0.202CC..G310 helixtrans-109.47.4-178.3-49.1-84.2000111.9L21 K22 P23 T58 L59 S81 C84 I85 E88L21-Y61 WeakPolarHBondContact O-CB 3.47Å; K22-Y61 HydrophobicContact CB-CD2 3.8Å; K22-Y61 HydrophobicContact CB-CE2 3.71Å; K22-Y61 HydrophobicContact CB-CG 4.49Å; P23-Y61 WeakPolarHBondContact CD-OH 3.22Å; P23-Y61 HydrophobicContact CG-CE1 4.32Å; P23-Y61 WeakPolarHBondContact CG-OH 3.25Å; T58-Y61 HydrophobicContact CG2-CD2 4.01Å; T58-Y61 HydrophobicContact CG2-CE2 4.08Å; T58-Y61 PolarHBondContact O-N 3.09Å; L59-Y61 PolarHBondContact O-N 2.65Å; Y61-S81 PolarHBondContact O-OG 2.96Å; Y61-C84 HydrophobicContact CD1-CB 3.62Å; Y61-C84 HydrophobicContact CE1-CB 4.29Å; Y61-I85 HydrophobicContact CD1-CG1 3.92Å; Y61-I85 HydrophobicContact CE1-CG1 3.9Å; Y61-E88 VanDerWaalsContact CE1-OE2 3.32Å; Y61-E88 WeakPolarHBondContact CE1-OE2 3.42Å; Y61-E88 PolarHBondContact OH-OE2 2.93Å
62R94.2Very high79.1Confident20 Ų2039.4 Ų39.48%0.07521%0.205CC..  trans-81.5132.7-178.5-164.7-179-63.6166.2-0.5110.5A54 E55 V57 L59 V66 L67 W80A54-R62 PolarHBondContact O-NH1 3.37Å; A54-R62 PolarHBondContact O-NH2 3.06Å; E55-R62 PolarHBondContact O-NH2 3Å; V57-R62 HydrophobicContact CB-CB 4.2Å; V57-R62 HydrophobicContact CB-CG 4.17Å; V57-R62 HydrophobicContact CG1-CB 4.44Å; V57-R62 HydrophobicContact CG2-CG 4.18Å; V57-R62 PolarHBondContact O-NE 3.06Å; V57-R62 PolarHBondContact O-NH2 3.25Å; L59-R62 WeakPolarHBondContact O-CB 3.49Å; L59-R62 PolarHBondContact O-N 2.8Å; L59-R62 VanDerWaalsContact O-N 3.17Å; R62-V66 HydrophobicContact CG-CB 3.88Å; R62-V66 HydrophobicContact CG-CG1 3.75Å; R62-L67 HydrophobicContact CB-CD2 4.23Å; R62-L67 HydrophobicContact CB-CG 4.35Å; R62-L67 HydrophobicContact CG-CD2 4.13Å; R62-L67 HydrophobicContact CG-CG 4.1Å; R62-W80 PolarHBondContact O-NE1 2.72Å
63P95.9Very high80.8Confident0 Ų039 Ų390%020%0.203CC..  trans-80.2160-178.635.1-39.7000113D65 V66 L67 I77 W80P63-D65 VanDerWaalsContact C-N 3.31Å; P63-D65 WeakPolarHBondContact CB-OD1 3.34Å; P63-D65 WeakPolarHBondContact CG-OD1 3.18Å; P63-D65 PolarHBondContact O-N 2.78Å; P63-V66 HydrophobicContact CG-CB 3.96Å; P63-V66 HydrophobicContact CG-CG2 3.5Å; P63-V66 VanDerWaalsContact CG-CG2 3.5Å; P63-V66 PolarHBondContact O-N 3.11Å; P63-L67 WeakPolarHBondContact O-CG 3.39Å; P63-L67 PolarHBondContact O-N 3.28Å; P63-I77 HydrophobicContact CG-CB 4.3Å; P63-I77 HydrophobicContact CG-CG1 4.11Å; P63-I77 HydrophobicContact CG-CG2 3.98Å; P63-W80 HydrophobicContact CB-CB 3.7Å; P63-W80 HydrophobicContact CB-CD2 3.81Å; P63-W80 HydrophobicContact CB-CE3 4.42Å; P63-W80 HydrophobicContact CB-CG 3.44Å; P63-W80 VanDerWaalsContact CB-CG 3.44Å
64P95.9Very high82.8Confident0 Ų038.4 Ų38.40%019%0.194CC..Hα-helixtrans-55.1-39.2-178.5-29.136.7000114.7V66 L67 F68 W80 I109 W121P64-V66 VanDerWaalsContact C-N 3.35Å; P64-V66 PolarHBondContact O-N 3.22Å; P64-L67 PolarHBondContact O-N 3.24Å; P64-F68 HydrophobicContact CB-CD2 4.48Å; P64-F68 HydrophobicContact CB-CE2 4.4Å; P64-F68 WeakPolarHBondContact O-CD2 3.29Å; P64-F68 PolarHBondContact O-N 3.05Å; P64-W80 HydrophobicContact CG-CH2 3.68Å; P64-W80 HydrophobicContact CG-CZ2 4.1Å; P64-W80 HydrophobicContact CG-CZ3 3.95Å; P64-I109 HydrophobicContact CG-CD1 4.23Å; P64-I109 HydrophobicContact CG-CG2 4.08Å; P64-W121 HydrophobicContact CB-CH2 4.08Å; P64-W121 HydrophobicContact CB-CZ3 3.81Å
65D94.7Very high84.9Confident5 Ų538.1 Ų38.13%0.02719%0.188CC..Hα-helixtrans-64-41.2-179.453.8-49.4000111.8P63 F68 G69 A70 W121 P182 R185P63-D65 VanDerWaalsContact C-N 3.31Å; P63-D65 WeakPolarHBondContact CB-OD1 3.34Å; P63-D65 WeakPolarHBondContact CG-OD1 3.18Å; P63-D65 PolarHBondContact O-N 2.78Å; D65-F68 PolarHBondContact O-N 3.27Å; D65-G69 PolarHBondContact O-N 2.9Å; D65-A70 HydrophobicContact CB-CB 4.21Å; D65-A70 WeakPolarHBondContact O-CB 3.44Å; D65-A70 PolarHBondContact O-N 3.29Å; D65-W121 HydrophobicContact CB-CH2 3.68Å; D65-W121 HydrophobicContact CB-CZ2 3.66Å; D65-P182 HydrophobicContact CB-CG 4.17Å; D65-R185 IonicContact OD1-CZ 2.8Å; D65-R185 IonicContact OD1-NH1 2.72Å; D65-R185 PolarHBondContact OD1-NH1 3Å; D65-R185 IonicContact OD1-NH2 2.95Å; D65-R185 PolarHBondContact OD1-NH2 3.35Å; D65-R185 IonicContact OD2-NH1 2.69Å
66V92.9Very high86.9Confident5 Ų530.6 Ų30.63%0.0315%0.153CC..Hα-helixtrans-70-38.7174.5-177.50000110.7R62 P63 P64 F68 G69 Y73 I77R62-V66 HydrophobicContact CG-CB 3.88Å; R62-V66 HydrophobicContact CG-CG1 3.75Å; P63-V66 HydrophobicContact CG-CB 3.96Å; P63-V66 HydrophobicContact CG-CG2 3.5Å; P63-V66 VanDerWaalsContact CG-CG2 3.5Å; P63-V66 PolarHBondContact O-N 3.11Å; P64-V66 VanDerWaalsContact C-N 3.35Å; P64-V66 PolarHBondContact O-N 3.22Å; V66-F68 VanDerWaalsContact C-N 3.27Å; V66-F68 PolarHBondContact O-N 2.72Å; V66-G69 PolarHBondContact O-N 3.42Å; V66-Y73 HydrophobicContact CB-CE1 4.44Å; V66-Y73 HydrophobicContact CG1-CE1 4.38Å; V66-Y73 HydrophobicContact CG2-CD1 4.05Å; V66-Y73 HydrophobicContact CG2-CE1 3.72Å; V66-I77 HydrophobicContact CG2-CD1 3.64Å; V66-I77 HydrophobicContact CG2-CG1 3.97Å; V66-I77 HydrophobicContact CG2-CG2 4.45Å
67L93.6Very high88.8Confident6 Ų629.4 Ų29.43%0.03115%0.146CC..Hα-helixtrans-63.5-31.5175.8-67.7164.8000112.6L59 R62 P63 P64 G69 V102 Q105 L106 I109L59-L67 HydrophobicContact CD1-CD2 3.7Å; R62-L67 HydrophobicContact CB-CD2 4.23Å; R62-L67 HydrophobicContact CB-CG 4.35Å; R62-L67 HydrophobicContact CG-CD2 4.13Å; R62-L67 HydrophobicContact CG-CG 4.1Å; P63-L67 WeakPolarHBondContact O-CG 3.39Å; P63-L67 PolarHBondContact O-N 3.28Å; P64-L67 PolarHBondContact O-N 3.24Å; L67-G69 PolarHBondContact O-N 3.02Å; L67-V102 HydrophobicContact CB-CG1 4.23Å; L67-V102 HydrophobicContact CD2-CB 4.42Å; L67-V102 HydrophobicContact CD2-CG1 3.82Å; L67-V102 HydrophobicContact CD2-CG2 4.32Å; L67-Q105 HydrophobicContact CD1-CB 4.43Å; L67-Q105 HydrophobicContact CD1-CG 3.72Å; L67-Q105 HydrophobicContact CD2-CB 4.48Å; L67-Q105 HydrophobicContact CD2-CG 4.17Å; L67-L106 HydrophobicContact CB-CD2 3.81Å; L67-L106 HydrophobicContact CB-CG 4.17Å; L67-L106 HydrophobicContact CD1-CD2 3.83Å; L67-L106 HydrophobicContact CD1-CG 4.19Å; L67-L106 HydrophobicContact CG-CD2 4.45Å; L67-I109 HydrophobicContact CD1-CD1 3.68Å
68F93.1Very high90.6Very high0 Ų028.9 Ų28.90%014%0.143CC..THydrogen-bonded Turntrans-84.49.1172.3-71.9-57.3000114P64 D65 V66 L106 F110 W121 L124 L127 P128 D129 F133 F134P64-F68 HydrophobicContact CB-CD2 4.48Å; P64-F68 HydrophobicContact CB-CE2 4.4Å; P64-F68 WeakPolarHBondContact O-CD2 3.29Å; P64-F68 PolarHBondContact O-N 3.05Å; D65-F68 PolarHBondContact O-N 3.27Å; V66-F68 VanDerWaalsContact C-N 3.27Å; V66-F68 PolarHBondContact O-N 2.72Å; F68-L106 HydrophobicContact CD1-CD1 4.4Å; F68-L106 HydrophobicContact CD2-CD2 4.5Å; F68-L106 HydrophobicContact CE1-CD1 3.81Å; F68-L106 HydrophobicContact CE1-CD2 4.29Å; F68-L106 HydrophobicContact CE2-CD2 3.91Å; F68-L106 HydrophobicContact CZ-CD1 4.05Å; F68-L106 HydrophobicContact CZ-CD2 3.76Å; F68-F110 AromaticContact CE2-CZ 3.77Å; F68-F110 HydrophobicContact CE2-CZ 3.77Å; F68-F110 AromaticContact CZ-CE2 3.99Å; F68-F110 HydrophobicContact CZ-CE2 3.99Å; F68-F110 AromaticContact CZ-CZ 3.65Å; F68-F110 HydrophobicContact CZ-CZ 3.65Å; F68-W121 HydrophobicContact CD2-CH2 4.2Å; F68-W121 HydrophobicContact CD2-CZ3 4.27Å; F68-W121 HydrophobicContact CE2-CZ3 4.38Å; F68-L124 HydrophobicContact CD2-CD1 3.81Å; F68-L124 HydrophobicContact CE2-CD1 3.76Å; F68-L124 HydrophobicContact CZ-CD1 4.44Å; F68-L127 HydrophobicContact CB-CB 3.75Å; F68-L127 HydrophobicContact CB-CD1 3.51Å; F68-L127 HydrophobicContact CB-CG 4.25Å; F68-L127 HydrophobicContact CD2-CD1 4.08Å; F68-L127 HydrophobicContact CG-CD1 4.12Å; F68-P128 WeakPolarHBondContact O-CD 3.39Å; F68-D129 PolarHBondContact O-N 3.17Å; F68-F133 AromaticContact CD1-CD2 3.8Å; F68-F133 HydrophobicContact CD1-CD2 3.8Å; F68-F133 HydrophobicContact CD1-CE2 4.39Å; F68-F133 HydrophobicContact CE1-CB 4.22Å; F68-F133 AromaticContact CE1-CD2 3.76Å; F68-F133 HydrophobicContact CE1-CD2 3.76Å; F68-F133 HydrophobicContact CE1-CG 4.35Å; F68-F134 HydrophobicContact CE1-CD2 4.19Å; F68-F134 AromaticContact CE1-CE2 3.66Å; F68-F134 HydrophobicContact CE1-CE2 3.66Å; F68-F134 HydrophobicContact CZ-CD2 4.45Å; F68-F134 AromaticContact CZ-CE2 3.51Å; F68-F134 HydrophobicContact CZ-CE2 3.51Å; F68-F134 HydrophobicContact CZ-CZ 4.24Å
69G90.1Very high92Very high1 Ų126.6 Ų26.61%0.0113%0.128CC..THydrogen-bonded Turntrans80.718.3171.900000114.7D65 V66 L67 K71 P128 D129D65-G69 PolarHBondContact O-N 2.9Å; V66-G69 PolarHBondContact O-N 3.42Å; L67-G69 PolarHBondContact O-N 3.02Å; G69-K71 PolarHBondContact O-N 2.95Å; G69-P128 WeakPolarHBondContact O-CG 3.2Å; G69-D129 WeakPolarHBondContact CA-OD2 3.4Å
70A90.5Very high92.3Very high9 Ų925.1 Ų25.17%0.07412%0.121CC..  trans-48.3140173.300000110.6D65 Y73 L127D65-A70 HydrophobicContact CB-CB 4.21Å; D65-A70 WeakPolarHBondContact O-CB 3.44Å; D65-A70 PolarHBondContact O-N 3.29Å; A70-Y73 HydrophobicContact CB-CE1 4.35Å; A70-Y73 WeakPolarHBondContact O-CE1 3.07Å; A70-Y73 PolarHBondContact O-OH 3.43Å; A70-L127 HydrophobicContact CB-CD2 3.97Å
71K82Confident92.4Very high94 Ų9420.4 Ų20.441%0.40910%0.103SC..SBendtrans-106.3-5.4-179-58.8-56.7-175.8-164.70113.4Y52 G69Y52-K71 VanDerWaalsContact CD2-O 3.24Å; Y52-K71 WeakPolarHBondContact CD2-O 3.36Å; Y52-K71 WeakPolarHBondContact CE2-O 3.47Å; Y52-K71 PolarHBondContact O-NZ 3.49Å; G69-K71 PolarHBondContact O-N 2.95Å
72I81Confident92.5Very high155 Ų15520.2 Ų20.280%0.79510%0.102SC*.  trans-115.6122.7177.5-59.2176.6000106.6
73Y80Confident92.7Very high24 Ų2419.3 Ų19.39%0.09410%0.099CC..  trans-117.4143.9-175.5-63.8-26.4000110.1Y52 V66 A70 I77Y52-Y73 VanDerWaalsContact CB-OH 3.27Å; Y52-Y73 WeakPolarHBondContact CB-OH 3.24Å; Y52-Y73 AromaticContact CD1-CD2 3.83Å; Y52-Y73 HydrophobicContact CD1-CD2 3.83Å; Y52-Y73 AromaticContact CD1-CE2 3.2Å; Y52-Y73 HydrophobicContact CD1-CE2 3.2Å; Y52-Y73 AromaticContact CD2-CD2 3.82Å; Y52-Y73 HydrophobicContact CD2-CD2 3.82Å; Y52-Y73 AromaticContact CD2-CE2 3.31Å; Y52-Y73 HydrophobicContact CD2-CE2 3.31Å; Y52-Y73 AromaticContact CD2-CZ 3.68Å; Y52-Y73 AromaticContact CE1-CD2 3.4Å; Y52-Y73 HydrophobicContact CE1-CD2 3.4Å; Y52-Y73 VanDerWaalsContact CE1-CD2 3.4Å; Y52-Y73 AromaticContact CE1-CE2 3.32Å; Y52-Y73 HydrophobicContact CE1-CE2 3.32Å; Y52-Y73 AromaticContact CE2-CD2 3.4Å; Y52-Y73 HydrophobicContact CE2-CD2 3.4Å; Y52-Y73 VanDerWaalsContact CE2-CD2 3.4Å; Y52-Y73 AromaticContact CE2-CE2 3.45Å; Y52-Y73 HydrophobicContact CE2-CE2 3.45Å; Y52-Y73 VanDerWaalsContact CE2-CE2 3.45Å; Y52-Y73 HydrophobicContact CE2-CG 4.1Å; Y52-Y73 AromaticContact CG-CD2 3.99Å; Y52-Y73 HydrophobicContact CG-CD2 3.99Å; Y52-Y73 AromaticContact CG-CE2 3.15Å; Y52-Y73 HydrophobicContact CG-CE2 3.15Å; Y52-Y73 AromaticContact CG-CZ 3.65Å; Y52-Y73 AromaticContact CZ-CD2 3.14Å; Y52-Y73 AromaticContact CZ-CE2 3.42Å; Y52-Y73 VanDerWaalsContact CZ-CE2 3.42Å; Y52-Y73 WeakPolarHBondContact OH-CD2 3.37Å; V66-Y73 HydrophobicContact CB-CE1 4.44Å; V66-Y73 HydrophobicContact CG1-CE1 4.38Å; V66-Y73 HydrophobicContact CG2-CD1 4.05Å; V66-Y73 HydrophobicContact CG2-CE1 3.72Å; A70-Y73 HydrophobicContact CB-CE1 4.35Å; A70-Y73 WeakPolarHBondContact O-CE1 3.07Å; A70-Y73 PolarHBondContact O-OH 3.43Å; Y73-I77 HydrophobicContact CD1-CD1 3.4Å; Y73-I77 VanDerWaalsContact CD1-CD1 3.4Å; Y73-I77 HydrophobicContact CD2-CD1 4.12Å; Y73-I77 HydrophobicContact CE1-CD1 4.28Å; Y73-I77 HydrophobicContact CG-CD1 3.36Å
74N87.8Confident92.8Very high62 Ų6219.4 Ų19.433%0.33210%0.099SC..  trans-137.8-173.9176.665.416.6000110.1L17 F45 S76 I77L17-N74 VanDerWaalsContact CD2-O 3.27Å; L17-N74 WeakPolarHBondContact CD2-O 3.19Å; F45-N74 HydrophobicContact CE1-CB 4.1Å; N74-S76 PolarHBondContact O-N 3.01Å; N74-S76 WeakPolarHBondContact OD1-CB 3.27Å; N74-S76 PolarHBondContact OD1-N 3.32Å; N74-S76 PolarHBondContact OD1-OG 3.03Å; N74-I77 PolarHBondContact O-N 3.35Å
75T94.1Very high92.8Very high36 Ų3619.5 Ų19.522%0.22110%0.1CC..THydrogen-bonded Turntrans-55.3-26.3-178.348.40000112.8H12 L17 F45 I77 D78 M79H12-T75 HydrophobicContact CB-CG2 3.68Å; H12-T75 WeakPolarHBondContact ND1-CG2 3.48Å; L17-T75 VanDerWaalsContact CD2-CA 3.47Å; L17-T75 HydrophobicContact CD2-CG2 4.44Å; F45-T75 HydrophobicContact CE1-CG2 4.35Å; F45-T75 HydrophobicContact CE2-CG2 3.88Å; F45-T75 HydrophobicContact CZ-CG2 3.34Å; T75-I77 PolarHBondContact O-N 3.47Å; T75-I77 VanDerWaalsContact O-N 3.09Å; T75-D78 PolarHBondContact O-N 3.26Å; T75-D78 VanDerWaalsContact O-N 3.09Å; T75-M79 WeakPolarHBondContact O-CG 3.07Å; T75-M79 PolarHBondContact O-N 2.58Å
76S95.2Very high93Very high5 Ų519.6 Ų19.64%0.03510%0.1CC..Hα-helixtrans-62.5-19.2-174.382.70000114.1N74 M79 W80 P182 R185N74-S76 PolarHBondContact O-N 3.01Å; N74-S76 WeakPolarHBondContact OD1-CB 3.27Å; N74-S76 PolarHBondContact OD1-N 3.32Å; N74-S76 PolarHBondContact OD1-OG 3.03Å; S76-M79 PolarHBondContact O-N 3.34Å; S76-W80 PolarHBondContact O-N 3.35Å; S76-P182 WeakPolarHBondContact CB-O 3.17Å; S76-P182 WeakPolarHBondContact OG-CB 2.96Å; S76-R185 PolarHBondContact O-NH1 3.02Å; S76-R185 PolarHBondContact OG-NH1 3.25Å
77I94.2Very high93.2Very high3 Ų319.3 Ų19.32%0.01510%0.099CC..Hα-helixtrans-67.5-49.8174.6-61.4176.4000109.8P63 V66 Y73 N74 T75 M79 W80 S81P63-I77 HydrophobicContact CG-CB 4.3Å; P63-I77 HydrophobicContact CG-CG1 4.11Å; P63-I77 HydrophobicContact CG-CG2 3.98Å; V66-I77 HydrophobicContact CG2-CD1 3.64Å; V66-I77 HydrophobicContact CG2-CG1 3.97Å; V66-I77 HydrophobicContact CG2-CG2 4.45Å; Y73-I77 HydrophobicContact CD1-CD1 3.4Å; Y73-I77 VanDerWaalsContact CD1-CD1 3.4Å; Y73-I77 HydrophobicContact CD2-CD1 4.12Å; Y73-I77 HydrophobicContact CE1-CD1 4.28Å; Y73-I77 HydrophobicContact CG-CD1 3.36Å; N74-I77 PolarHBondContact O-N 3.35Å; T75-I77 PolarHBondContact O-N 3.47Å; T75-I77 VanDerWaalsContact O-N 3.09Å; I77-M79 PolarHBondContact O-N 3.3Å; I77-W80 PolarHBondContact O-N 2.83Å; I77-S81 PolarHBondContact O-N 3.08Å; I77-S81 VanDerWaalsContact O-N 3.08Å; I77-S81 PolarHBondContact O-OG 3.46Å
78D95.5Very high93.4Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-61.9-36.8177-67.6-23.6000110.6L8 H12 H18 R19 L21 T75 S81 S82L8-D78 HydrophobicContact CD1-CB 4.46Å; L8-D78 HydrophobicContact CD2-CB 4.21Å; H12-D78 IonicContact CD2-OD2 3.63Å; H12-D78 IonicContact CE1-OD2 3.75Å; H12-D78 IonicContact NE2-OD2 3.63Å; H12-D78 PolarHBondContact NE2-OD2 2.92Å; H18-D78 PolarHBondContact N-OD1 2.8Å; H18-D78 PolarHBondContact N-OD2 2.82Å; R19-D78 PolarHBondContact N-OD1 3.33Å; L21-D78 HydrophobicContact CD1-CB 3.72Å; L21-D78 WeakPolarHBondContact CD1-O 3.36Å; T75-D78 PolarHBondContact O-N 3.26Å; T75-D78 VanDerWaalsContact O-N 3.09Å; D78-S81 PolarHBondContact O-N 2.85Å; D78-S82 WeakPolarHBondContact O-CB 3.5Å; D78-S82 PolarHBondContact O-N 3.49Å
79M98.2Very high93.5Very high0 Ų024.9 Ų24.90%013%0.127CC..Hα-helixtrans-64.4-43178.2-57.9-46.5-58.300112.1L5 L8 T75 S76 I77 S82 G83 L177 L186 A188 A191L5-M79 HydrophobicContact CD2-CE 3.69Å; L8-M79 HydrophobicContact CD1-SD 4.37Å; T75-M79 WeakPolarHBondContact O-CG 3.07Å; T75-M79 PolarHBondContact O-N 2.58Å; S76-M79 PolarHBondContact O-N 3.34Å; I77-M79 PolarHBondContact O-N 3.3Å; M79-S82 PolarHBondContact O-N 2.7Å; M79-S82 PolarHBondContact O-OG 2.87Å; M79-G83 PolarHBondContact O-N 3.01Å; M79-L177 HydrophobicContact CB-CD2 4.39Å; M79-L177 HydrophobicContact CE-CD2 3.55Å; M79-L186 WeakPolarHBondContact CE-O 3.47Å; M79-L186 WeakPolarHBondContact CG-O 3.21Å; M79-A188 HydrophobicContact CE-CB 4.05Å; M79-A188 HydrophobicContact SD-CB 3.76Å; M79-A191 HydrophobicContact CE-CB 4.27Å
80W97.9Very high93.7Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-59.7-51.3172.9176.4-84.3000111.8R62 P63 P64 S76 I77 S82 G83 C84 F97 I109 L113 L178R62-W80 PolarHBondContact O-NE1 2.72Å; P63-W80 HydrophobicContact CB-CB 3.7Å; P63-W80 HydrophobicContact CB-CD2 3.81Å; P63-W80 HydrophobicContact CB-CE3 4.42Å; P63-W80 HydrophobicContact CB-CG 3.44Å; P63-W80 VanDerWaalsContact CB-CG 3.44Å; P64-W80 HydrophobicContact CG-CH2 3.68Å; P64-W80 HydrophobicContact CG-CZ2 4.1Å; P64-W80 HydrophobicContact CG-CZ3 3.95Å; S76-W80 PolarHBondContact O-N 3.35Å; I77-W80 PolarHBondContact O-N 2.83Å; W80-S82 PolarHBondContact O-N 3.44Å; W80-G83 WeakPolarHBondContact O-CA 3.47Å; W80-G83 PolarHBondContact O-N 3.29Å; W80-C84 PolarHBondContact NE1-SG 3.37Å; W80-C84 VanDerWaalsContact NE1-SG 3.41Å; W80-C84 PolarHBondContact O-N 3.19Å; W80-F97 HydrophobicContact CH2-CE2 4.48Å; W80-F97 HydrophobicContact CZ2-CD2 4.36Å; W80-F97 AromaticContact CZ2-CE2 3.88Å; W80-F97 HydrophobicContact CZ2-CE2 3.88Å; W80-I109 HydrophobicContact CH2-CD1 4.4Å; W80-I109 HydrophobicContact CH2-CG1 4.42Å; W80-I109 HydrophobicContact CH2-CG2 3.7Å; W80-I109 HydrophobicContact CZ2-CD1 3.75Å; W80-I109 HydrophobicContact CZ2-CG1 3.94Å; W80-I109 HydrophobicContact CZ2-CG2 4.08Å; W80-L113 HydrophobicContact CH2-CD1 3.58Å; W80-L113 HydrophobicContact CZ3-CD1 3.89Å; W80-L178 HydrophobicContact CD2-CD2 4.03Å; W80-L178 HydrophobicContact CE3-CD2 4.1Å; W80-L178 HydrophobicContact CH2-CD2 4.44Å; W80-L178 HydrophobicContact CZ2-CD2 4.37Å; W80-L178 HydrophobicContact CZ3-CB 4.4Å; W80-L178 HydrophobicContact CZ3-CD2 4.31Å
81S97Very high93.9Very high0 Ų026.4 Ų26.40%014%0.138CC..Hα-helixtrans-58.8-39.1179.5-54.70000111.3Y61 I77 D78 G83 C84 I85Y61-S81 PolarHBondContact O-OG 2.96Å; I77-S81 PolarHBondContact O-N 3.08Å; I77-S81 VanDerWaalsContact O-N 3.08Å; I77-S81 PolarHBondContact O-OG 3.46Å; D78-S81 PolarHBondContact O-N 2.85Å; S81-G83 VanDerWaalsContact C-N 3.32Å; S81-G83 PolarHBondContact O-N 3.26Å; S81-C84 WeakPolarHBondContact O-CB 3.4Å; S81-C84 PolarHBondContact O-N 3.46Å; S81-I85 WeakPolarHBondContact O-CG1 3.36Å; S81-I85 PolarHBondContact O-N 2.98Å
82S98Very high94.5Very high0 Ų026.5 Ų26.50%016%0.156CC..Hα-helixtrans-63.2-35.9174.284.70000112.8D78 M79 W80 I85 F86D78-S82 WeakPolarHBondContact O-CB 3.5Å; D78-S82 PolarHBondContact O-N 3.49Å; M79-S82 PolarHBondContact O-N 2.7Å; M79-S82 PolarHBondContact O-OG 2.87Å; W80-S82 PolarHBondContact O-N 3.44Å; S82-I85 PolarHBondContact O-N 3.21Å; S82-F86 WeakPolarHBondContact O-CB 3.32Å; S82-F86 PolarHBondContact O-N 2.96Å
83G98.2Very high95.1Very high0 Ų021.3 Ų21.30%014%0.141CC..Hα-helixtrans-64.8-45172.700000112.1M79 W80 S81 I85 F86 A87 L174M79-G83 PolarHBondContact O-N 3.01Å; W80-G83 WeakPolarHBondContact O-CA 3.47Å; W80-G83 PolarHBondContact O-N 3.29Å; S81-G83 VanDerWaalsContact C-N 3.32Å; S81-G83 PolarHBondContact O-N 3.26Å; G83-I85 VanDerWaalsContact C-N 3.35Å; G83-I85 PolarHBondContact O-N 3.07Å; G83-F86 WeakPolarHBondContact O-CB 3.42Å; G83-F86 PolarHBondContact O-N 3.43Å; G83-A87 PolarHBondContact O-N 3.49Å; G83-L174 WeakPolarHBondContact O-CD1 3.3Å
84C98.1Very high95.8Very high2 Ų228.8 Ų28.81%0.01417%0.169CC..Hα-helixtrans-59.7-44.1174.3-68.70000111.9Y61 W80 S81 A87 E88Y61-C84 HydrophobicContact CD1-CB 3.62Å; Y61-C84 HydrophobicContact CE1-CB 4.29Å; W80-C84 PolarHBondContact NE1-SG 3.37Å; W80-C84 VanDerWaalsContact NE1-SG 3.41Å; W80-C84 PolarHBondContact O-N 3.19Å; S81-C84 WeakPolarHBondContact O-CB 3.4Å; S81-C84 PolarHBondContact O-N 3.46Å; C84-A87 PolarHBondContact O-N 3.03Å; C84-E88 WeakPolarHBondContact O-CB 3.13Å; C84-E88 PolarHBondContact O-N 3.05Å
85I97.5Very high96.2Very high2 Ų227.6 Ų27.61%0.0117%0.165CC..Hα-helixtrans-63.3-41.7175.3-67.8165.1000110.9L4 L21 P23 L26 Y61 S81 S82 G83 A87 E88 I89L4-I85 HydrophobicContact CD2-CB 4.5Å; L4-I85 HydrophobicContact CD2-CG2 4.15Å; L21-I85 HydrophobicContact CB-CD1 4.04Å; P23-I85 HydrophobicContact CG-CG1 4.38Å; L26-I85 HydrophobicContact CD1-CD1 4.12Å; L26-I85 HydrophobicContact CD1-CG2 3.76Å; Y61-I85 HydrophobicContact CD1-CG1 3.92Å; Y61-I85 HydrophobicContact CE1-CG1 3.9Å; S81-I85 WeakPolarHBondContact O-CG1 3.36Å; S81-I85 PolarHBondContact O-N 2.98Å; S82-I85 PolarHBondContact O-N 3.21Å; G83-I85 VanDerWaalsContact C-N 3.35Å; G83-I85 PolarHBondContact O-N 3.07Å; I85-A87 VanDerWaalsContact C-N 3.33Å; I85-A87 PolarHBondContact O-N 2.88Å; I85-E88 PolarHBondContact O-N 3.19Å; I85-I89 HydrophobicContact CG2-CD1 3.88Å; I85-I89 HydrophobicContact CG2-CG1 4.4Å; I85-I89 VanDerWaalsContact O-CG1 3.32Å; I85-I89 WeakPolarHBondContact O-CG1 3.15Å; I85-I89 PolarHBondContact O-N 3.47Å
86F98Very high96.3Very high7 Ų727.1 Ų27.13%0.03116%0.16CC..Hα-helixtrans-60.8-45.1178.5-175.1-156.5000111.6M1 S82 G83 I89 A90 L166 G170 L173 L174 L177 Y196M1-F86 HydrophobicContact CB-CD2 4.2Å; M1-F86 HydrophobicContact CB-CE2 4.28Å; M1-F86 HydrophobicContact CE-CB 4.35Å; M1-F86 HydrophobicContact CG-CD1 4.37Å; M1-F86 HydrophobicContact CG-CD2 4.07Å; M1-F86 HydrophobicContact CG-CE2 4.36Å; M1-F86 HydrophobicContact CG-CG 4.08Å; M1-F86 HydrophobicContact SD-CB 3.58Å; M1-F86 VanDerWaalsContact SD-CB 3.58Å; M1-F86 HydrophobicContact SD-CD1 4.38Å; M1-F86 HydrophobicContact SD-CD2 4.01Å; M1-F86 HydrophobicContact SD-CG 3.74Å; S82-F86 WeakPolarHBondContact O-CB 3.32Å; S82-F86 PolarHBondContact O-N 2.96Å; G83-F86 WeakPolarHBondContact O-CB 3.42Å; G83-F86 PolarHBondContact O-N 3.43Å; F86-I89 PolarHBondContact O-N 2.89Å; F86-A90 PolarHBondContact O-N 3.34Å; F86-L166 HydrophobicContact CE1-CD2 4.19Å; F86-L166 HydrophobicContact CE2-CD1 3.87Å; F86-L166 HydrophobicContact CZ-CD1 3.71Å; F86-L166 HydrophobicContact CZ-CD2 4.05Å; F86-L166 HydrophobicContact CZ-CG 4.47Å; F86-G170 WeakPolarHBondContact CE1-O 3.32Å; F86-L173 HydrophobicContact CE1-CB 4.3Å; F86-L173 HydrophobicContact CE1-CD2 3.91Å; F86-L173 HydrophobicContact CE1-CG 4.16Å; F86-L174 HydrophobicContact CB-CD1 4.35Å; F86-L174 HydrophobicContact CD1-CB 4.14Å; F86-L174 HydrophobicContact CD1-CD1 4.07Å; F86-L174 HydrophobicContact CE1-CB 4.25Å; F86-L177 HydrophobicContact CD1-CD1 4.46Å; F86-Y196 HydrophobicContact CE1-CE1 4.38Å; F86-Y196 HydrophobicContact CE2-CE1 4.02Å; F86-Y196 HydrophobicContact CZ-CD1 4.16Å; F86-Y196 AromaticContact CZ-CE1 3.49Å; F86-Y196 HydrophobicContact CZ-CE1 3.49Å; F86-Y196 VanDerWaalsContact CZ-CE1 3.49Å; F86-Y196 HydrophobicContact CZ-CE2 4.33Å; F86-Y196 AromaticContact CZ-CZ 3.59Å
87A97.7Very high96.4Very high0 Ų027 Ų270%016%0.159CC..Hα-helixtrans-61.2-43.1174.500000112.2G83 C84 I85 I89 A90 C91 L96 I163 L174G83-A87 PolarHBondContact O-N 3.49Å; C84-A87 PolarHBondContact O-N 3.03Å; I85-A87 VanDerWaalsContact C-N 3.33Å; I85-A87 PolarHBondContact O-N 2.88Å; A87-I89 PolarHBondContact O-N 3.23Å; A87-A90 PolarHBondContact O-N 3.21Å; A87-C91 WeakPolarHBondContact O-CB 3.32Å; A87-C91 PolarHBondContact O-N 2.73Å; A87-L96 HydrophobicContact CB-CB 3.93Å; A87-L96 HydrophobicContact CB-CD1 4.22Å; A87-L96 HydrophobicContact CB-CD2 3.65Å; A87-L96 HydrophobicContact CB-CG 4.14Å; A87-I163 HydrophobicContact CB-CD1 3.48Å; A87-I163 VanDerWaalsContact CB-CD1 3.48Å; A87-L174 HydrophobicContact CB-CD1 4.25Å; A87-L174 HydrophobicContact CB-CD2 3.98Å
88E96.8Very high96.4Very high20 Ų2028.9 Ų28.99%0.09317%0.171CC..Hα-helixtrans-63.1-41.9178.6-178.6170.6164.600112.5Y61 C84 I85 A90 C91 A92 G93 R94Y61-E88 VanDerWaalsContact CE1-OE2 3.32Å; Y61-E88 WeakPolarHBondContact CE1-OE2 3.42Å; Y61-E88 PolarHBondContact OH-OE2 2.93Å; C84-E88 WeakPolarHBondContact O-CB 3.13Å; C84-E88 PolarHBondContact O-N 3.05Å; I85-E88 PolarHBondContact O-N 3.19Å; E88-A90 VanDerWaalsContact C-N 3.34Å; E88-A90 PolarHBondContact O-N 2.84Å; E88-C91 CarbonylContact O-C 3.53Å; E88-C91 PolarHBondContact O-N 2.98Å; E88-A92 PolarHBondContact O-N 2.57Å; E88-G93 WeakPolarHBondContact O-CA 3.47Å; E88-G93 PolarHBondContact O-N 3.22Å; E88-R94 WeakPolarHBondContact CA-O 3.46Å
89I95.1Very high96.4Very high103 Ų10329 Ų2953%0.52817%0.172SC..Hα-helixtrans-58.9-47.3172.7-67.9165.8000110.1I85 F86 A87 C91 A92I85-I89 HydrophobicContact CG2-CD1 3.88Å; I85-I89 HydrophobicContact CG2-CG1 4.4Å; I85-I89 VanDerWaalsContact O-CG1 3.32Å; I85-I89 WeakPolarHBondContact O-CG1 3.15Å; I85-I89 PolarHBondContact O-N 3.47Å; F86-I89 PolarHBondContact O-N 2.89Å; A87-I89 PolarHBondContact O-N 3.23Å; I89-C91 PolarHBondContact O-N 3.33Å; I89-A92 PolarHBondContact O-N 3.49Å
90A95.9Very high96Very high23 Ų2334.6 Ų34.619%0.1921%0.206CC..Hα-helixtrans-66.1-26.9179.800000113.2F86 A87 E88 A92 I163 T165 L166F86-A90 PolarHBondContact O-N 3.34Å; A87-A90 PolarHBondContact O-N 3.21Å; E88-A90 VanDerWaalsContact C-N 3.34Å; E88-A90 PolarHBondContact O-N 2.84Å; A90-A92 VanDerWaalsContact C-N 3.33Å; A90-I163 HydrophobicContact CB-CG2 3.43Å; A90-I163 VanDerWaalsContact CB-CG2 3.43Å; A90-T165 PolarHBondContact O-OG1 3.43Å; A90-L166 HydrophobicContact CB-CB 4.24Å; A90-L166 HydrophobicContact CB-CD1 4.18Å; A90-L166 HydrophobicContact CB-CD2 4.44Å
91C94.6Very high95.7Very high18 Ų1838 Ų3812%0.12223%0.225CC..THydrogen-bonded Turntrans-91.317.9177.2-76.10000114.3A87 E88 I89 G93 R94A87-C91 WeakPolarHBondContact O-CB 3.32Å; A87-C91 PolarHBondContact O-N 2.73Å; E88-C91 CarbonylContact O-C 3.53Å; E88-C91 PolarHBondContact O-N 2.98Å; I89-C91 PolarHBondContact O-N 3.33Å; C91-G93 PolarHBondContact O-N 3.1Å; C91-R94 HydrophobicContact CB-CB 4.19Å; C91-R94 PolarHBondContact O-N 3.46Å; C91-R94 PolarHBondContact O-NE 2.69Å
92A93.6Very high95.4Very high96 Ų9640 Ų4079%0.79324%0.237SC*.THydrogen-bonded Turntrans57.344.7-179.700000113.3E88 I89 A90E88-A92 PolarHBondContact O-N 2.57Å; I89-A92 PolarHBondContact O-N 3.49Å; A90-A92 VanDerWaalsContact C-N 3.33Å
93G93.4Very high95.1Very high46 Ų4641.4 Ų41.447%0.47424%0.243SC..THydrogen-bonded Turntrans84.28.7176.200000114.7E88 C91 P95E88-G93 WeakPolarHBondContact O-CA 3.47Å; E88-G93 PolarHBondContact O-N 3.22Å; C91-G93 PolarHBondContact O-N 3.1Å; G93-P95 WeakPolarHBondContact O-CD 3.46Å
94R94.9Very high94.8Very high181 Ų18143.1 Ų43.168%0.68325%0.253SS*.  trans-87119173.2-70.7-175.3-71.8175.2-2.9110.4E88 C91E88-R94 WeakPolarHBondContact CA-O 3.46Å; C91-R94 HydrophobicContact CB-CB 4.19Å; C91-R94 PolarHBondContact O-N 3.46Å; C91-R94 PolarHBondContact O-NE 2.69Å
95P95.6Very high94.7Very high38 Ų3843 Ų4325%0.24725%0.252CS..  trans-59.8142.1-179.5-21.830.8000112W60 G93 P98W60-P95 HydrophobicContact CE3-CB 3.8Å; W60-P95 HydrophobicContact CE3-CG 3.64Å; W60-P95 HydrophobicContact CH2-CG 4.45Å; W60-P95 HydrophobicContact CZ3-CB 4.17Å; W60-P95 HydrophobicContact CZ3-CG 3.49Å; W60-P95 VanDerWaalsContact CZ3-CG 3.49Å; G93-P95 WeakPolarHBondContact O-CD 3.46Å; P95-P98 HydrophobicContact CB-CB 4.22Å
96L96.8Very high94.6Very high25 Ų2542.9 Ų42.913%0.13125%0.251CS..SBendtrans-69.9-41.8-178.8-176.262.4000112.5A87 L112 V162 I163 L178A87-L96 HydrophobicContact CB-CB 3.93Å; A87-L96 HydrophobicContact CB-CD1 4.22Å; A87-L96 HydrophobicContact CB-CD2 3.65Å; A87-L96 HydrophobicContact CB-CG 4.14Å; L96-L112 HydrophobicContact CD1-CD2 3.97Å; L96-L112 HydrophobicContact CD2-CD2 4.14Å; L96-L112 HydrophobicContact CG-CD2 4.34Å; L96-V162 HydrophobicContact CD1-CG1 3.7Å; L96-I163 HydrophobicContact CD1-CD1 4.35Å; L96-L178 HydrophobicContact CD2-CD1 3.46Å; L96-L178 VanDerWaalsContact CD2-CD1 3.46Å
97F96.8Very high94.4Very high4 Ų446.4 Ų46.42%0.01826%0.264CS..  trans-131.476.7-177.3-52.4-58.1000110.5W60 W80 G99 Q105 R108 I109 L112W60-F97 VanDerWaalsContact CA-O 3.29Å; W60-F97 WeakPolarHBondContact CA-O 3.27Å; W60-F97 WeakPolarHBondContact CB-O 3.44Å; W80-F97 HydrophobicContact CH2-CE2 4.48Å; W80-F97 HydrophobicContact CZ2-CD2 4.36Å; W80-F97 AromaticContact CZ2-CE2 3.88Å; W80-F97 HydrophobicContact CZ2-CE2 3.88Å; F97-G99 VanDerWaalsContact C-N 3.26Å; F97-G99 PolarHBondContact O-N 2.72Å; F97-Q105 PolarHBondContact O-NE2 3.34Å; F97-Q105 PolarHBondContact O-OE1 2.93Å; F97-R108 HydrophobicContact CB-CB 4.44Å; F97-R108 HydrophobicContact CD1-CB 4.06Å; F97-I109 HydrophobicContact CD1-CG1 4.16Å; F97-I109 HydrophobicContact CD2-CG1 3.93Å; F97-I109 HydrophobicContact CE1-CG1 4.29Å; F97-I109 HydrophobicContact CE2-CG1 4.07Å; F97-I109 HydrophobicContact CG-CG1 3.97Å; F97-I109 HydrophobicContact CZ-CG1 4.22Å; F97-L112 HydrophobicContact CE1-CB 4.03Å; F97-L112 HydrophobicContact CE1-CD2 3.83Å; F97-L112 HydrophobicContact CZ-CB 4.43Å; F97-L112 HydrophobicContact CZ-CD2 3.79Å
98P95.2Very high94.3Very high41 Ų4150.6 Ų50.627%0.26628%0.28SS..  trans-83.767.6178.633.2-33.8000111.1W60 P95 R108W60-P98 HydrophobicContact CD2-CB 4.14Å; W60-P98 HydrophobicContact CH2-CB 4.45Å; W60-P98 HydrophobicContact CZ2-CB 4.07Å; P95-P98 HydrophobicContact CB-CB 4.22Å; P98-R108 PolarHBondContact O-NE 3.06Å
99G94.9Very high94.4Very high2 Ų249.7 Ų49.72%0.02128%0.276CS..  trans-69.2142.2176.800000112.7L59 W60 F97 D104L59-G99 WeakPolarHBondContact CD2-O 3.38Å; W60-G99 PolarHBondContact NE1-O 3.15Å; F97-G99 VanDerWaalsContact C-N 3.26Å; F97-G99 PolarHBondContact O-N 2.72Å; G99-D104 WeakPolarHBondContact CA-OD2 3.31Å
100V91.1Very high94.4Very high118 Ų11844.8 Ų44.872%0.71525%0.251SS*.SBendtrans-85.7-25.8175.6-60.80000113D104V100-D104 HydrophobicContact CG2-CB 4Å; V100-D104 PolarHBondContact N-OD2 3.05Å; V100-D104 VanDerWaalsContact N-OD2 3.08Å
101D90.1Very high94.4Very high72 Ų7250.8 Ų50.839%0.38527%0.268SS..SBendtrans-146.7177.6173.860.549.1000110.2L59 E103 D104 Q105L59-D101 WeakPolarHBondContact CD2-O 3.47Å; D101-E103 VanDerWaalsContact C-N 3.28Å; D101-E103 PolarHBondContact O-N 3.23Å; D101-E103 WeakPolarHBondContact OD1-CA 3.3Å; D101-E103 WeakPolarHBondContact OD1-CB 3.47Å; D101-E103 PolarHBondContact OD1-N 3.18Å; D101-D104 PolarHBondContact O-N 3.38Å; D101-D104 PolarHBondContact OD1-N 3.23Å; D101-Q105 VanDerWaalsContact O-CB 3.29Å; D101-Q105 WeakPolarHBondContact O-CB 3.06Å; D101-Q105 PolarHBondContact O-N 3.35Å
102V91.4Very high94.5Very high42 Ų4250.5 Ų50.526%0.25527%0.266SS..Hα-helixtrans-61.4-36.6-176.7176.30000112.1L59 L67 L106 F133L59-V102 HydrophobicContact CD1-CG2 4.23Å; L67-V102 HydrophobicContact CB-CG1 4.23Å; L67-V102 HydrophobicContact CD2-CB 4.42Å; L67-V102 HydrophobicContact CD2-CG1 3.82Å; L67-V102 HydrophobicContact CD2-CG2 4.32Å; V102-L106 HydrophobicContact CG1-CD1 4.23Å; V102-L106 WeakPolarHBondContact O-CG 3.36Å; V102-L106 PolarHBondContact O-N 3.12Å; V102-F133 HydrophobicContact CB-CE1 4.49Å; V102-F133 HydrophobicContact CB-CZ 4.14Å; V102-F133 HydrophobicContact CG1-CE1 4Å; V102-F133 HydrophobicContact CG1-CE2 4Å; V102-F133 HydrophobicContact CG1-CZ 3.34Å
103E91.1Very high94.6Very high29 Ų2948.4 Ų48.414%0.13624%0.241CC..Hα-helixtrans-70.6-49.2180-178-177141.200111.1D101 Q105 L106 R107 F133 F147D101-E103 VanDerWaalsContact C-N 3.28Å; D101-E103 PolarHBondContact O-N 3.23Å; D101-E103 WeakPolarHBondContact OD1-CA 3.3Å; D101-E103 WeakPolarHBondContact OD1-CB 3.47Å; D101-E103 PolarHBondContact OD1-N 3.18Å; E103-Q105 PolarHBondContact O-N 3.11Å; E103-L106 PolarHBondContact O-N 3.41Å; E103-L106 VanDerWaalsContact O-N 3.16Å; E103-R107 HydrophobicContact CG-CG 4.44Å; E103-R107 WeakPolarHBondContact O-CG 3.44Å; E103-R107 PolarHBondContact O-N 3.15Å; E103-R107 IonicContact OE1-CZ 3.06Å; E103-R107 IonicContact OE1-NE 3.86Å; E103-R107 PolarHBondContact OE1-NE 3.01Å; E103-R107 IonicContact OE1-NH2 2.75Å; E103-R107 PolarHBondContact OE1-NH2 3.33Å; E103-F133 HydrophobicContact CB-CD1 4.36Å; E103-F133 HydrophobicContact CB-CE1 4.21Å; E103-F147 WeakPolarHBondContact OE2-CB 3.35Å; E103-F147 WeakPolarHBondContact OE2-CD1 3.28Å; E103-F147 WeakPolarHBondContact OE2-CG 3.06Å
104D92.4Very high94.7Very high36 Ų3646.6 Ų46.619%0.19322%0.222CC..Hα-helixtrans-59.1-39.5176.3-17640.4000110.7G99 V100 D101 R107 R108G99-D104 WeakPolarHBondContact CA-OD2 3.31Å; V100-D104 HydrophobicContact CG2-CB 4Å; V100-D104 PolarHBondContact N-OD2 3.05Å; V100-D104 VanDerWaalsContact N-OD2 3.08Å; D101-D104 PolarHBondContact O-N 3.38Å; D101-D104 PolarHBondContact OD1-N 3.23Å; D104-R107 PolarHBondContact O-N 3.19Å; D104-R108 WeakPolarHBondContact O-CB 3.41Å; D104-R108 WeakPolarHBondContact O-CG 3.38Å; D104-R108 PolarHBondContact O-N 3.36Å; D104-R108 IonicContact OD1-CZ 3.18Å; D104-R108 IonicContact OD1-NE 2.84Å; D104-R108 PolarHBondContact OD1-NE 3.39Å; D104-R108 VanDerWaalsContact OD1-NE 3.15Å; D104-R108 IonicContact OD1-NH2 2.67Å; D104-R108 IonicContact OD2-CZ 3.72Å; D104-R108 VanDerWaalsContact OD2-CZ 3.3Å; D104-R108 IonicContact OD2-NE 3.15Å; D104-R108 PolarHBondContact OD2-NE 3.33Å; D104-R108 IonicContact OD2-NH2 3.54Å; D104-R108 PolarHBondContact OD2-NH2 3.02Å
105Q95.3Very high94.8Very high0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-58.8-50.3173.9-172.265.512.600111.8L59 W60 L67 F97 D101 E103 R107 R108 I109L59-Q105 HydrophobicContact CD1-CB 3.91Å; L59-Q105 HydrophobicContact CD1-CG 3.94Å; L59-Q105 HydrophobicContact CD2-CB 4.45Å; L59-Q105 HydrophobicContact CG-CB 4.1Å; L59-Q105 HydrophobicContact CG-CG 4.14Å; L59-Q105 PolarHBondContact O-NE2 2.9Å; W60-Q105 PolarHBondContact O-NE2 3.06Å; L67-Q105 HydrophobicContact CD1-CB 4.43Å; L67-Q105 HydrophobicContact CD1-CG 3.72Å; L67-Q105 HydrophobicContact CD2-CB 4.48Å; L67-Q105 HydrophobicContact CD2-CG 4.17Å; F97-Q105 PolarHBondContact O-NE2 3.34Å; F97-Q105 PolarHBondContact O-OE1 2.93Å; D101-Q105 VanDerWaalsContact O-CB 3.29Å; D101-Q105 WeakPolarHBondContact O-CB 3.06Å; D101-Q105 PolarHBondContact O-N 3.35Å; E103-Q105 PolarHBondContact O-N 3.11Å; Q105-R107 PolarHBondContact O-N 3.35Å; Q105-R108 PolarHBondContact O-N 3.44Å; Q105-I109 HydrophobicContact CG-CD1 4.16Å; Q105-I109 VanDerWaalsContact O-CG1 3.28Å; Q105-I109 WeakPolarHBondContact O-CG1 3.35Å; Q105-I109 PolarHBondContact O-N 2.88Å
106L95.8Very high94.8Very high0 Ų037.1 Ų37.10%018%0.184CC..Hα-helixtrans-61.1-44.3177.2-74.5170.6000111.8L67 F68 V102 E103 R108 I109 F110 F133 I150L67-L106 HydrophobicContact CB-CD2 3.81Å; L67-L106 HydrophobicContact CB-CG 4.17Å; L67-L106 HydrophobicContact CD1-CD2 3.83Å; L67-L106 HydrophobicContact CD1-CG 4.19Å; L67-L106 HydrophobicContact CG-CD2 4.45Å; F68-L106 HydrophobicContact CD1-CD1 4.4Å; F68-L106 HydrophobicContact CD2-CD2 4.5Å; F68-L106 HydrophobicContact CE1-CD1 3.81Å; F68-L106 HydrophobicContact CE1-CD2 4.29Å; F68-L106 HydrophobicContact CE2-CD2 3.91Å; F68-L106 HydrophobicContact CZ-CD1 4.05Å; F68-L106 HydrophobicContact CZ-CD2 3.76Å; V102-L106 HydrophobicContact CG1-CD1 4.23Å; V102-L106 WeakPolarHBondContact O-CG 3.36Å; V102-L106 PolarHBondContact O-N 3.12Å; E103-L106 PolarHBondContact O-N 3.41Å; E103-L106 VanDerWaalsContact O-N 3.16Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 3.48Å; L106-I109 PolarHBondContact O-N 3.38Å; L106-F110 HydrophobicContact CB-CD2 4.39Å; L106-F110 HydrophobicContact CB-CE2 3.89Å; L106-F110 HydrophobicContact CB-CZ 4.43Å; L106-F110 HydrophobicContact CD2-CE2 4Å; L106-F110 HydrophobicContact CD2-CZ 3.73Å; L106-F110 HydrophobicContact CG-CE2 4.47Å; L106-F110 WeakPolarHBondContact O-CD2 3.47Å; L106-F110 VanDerWaalsContact O-CG 3.25Å; L106-F110 WeakPolarHBondContact O-CG 3.2Å; L106-F110 PolarHBondContact O-N 2.75Å; L106-F133 HydrophobicContact CD1-CB 4.39Å; L106-F133 HydrophobicContact CD1-CD1 3.97Å; L106-F133 HydrophobicContact CD1-CD2 3.6Å; L106-F133 HydrophobicContact CD1-CE1 4.16Å; L106-F133 HydrophobicContact CD1-CE2 3.8Å; L106-F133 HydrophobicContact CD1-CG 3.71Å; L106-F133 HydrophobicContact CD1-CZ 4.09Å; L106-I150 HydrophobicContact CB-CD1 3.7Å; L106-I150 HydrophobicContact CD1-CD1 4.12Å
107R94.6Very high94.6Very high80 Ų8038.4 Ų38.430%0.30219%0.193SC..Hα-helixtrans-60-41.7177.5-72.1-178.9-174.4-73.4-1.7111.9E103 D104 Q105 F110 R111 Q148 I150E103-R107 HydrophobicContact CG-CG 4.44Å; E103-R107 WeakPolarHBondContact O-CG 3.44Å; E103-R107 PolarHBondContact O-N 3.15Å; E103-R107 IonicContact OE1-CZ 3.06Å; E103-R107 IonicContact OE1-NE 3.86Å; E103-R107 PolarHBondContact OE1-NE 3.01Å; E103-R107 IonicContact OE1-NH2 2.75Å; E103-R107 PolarHBondContact OE1-NH2 3.33Å; D104-R107 PolarHBondContact O-N 3.19Å; Q105-R107 PolarHBondContact O-N 3.35Å; R107-F110 PolarHBondContact O-N 2.82Å; R107-R111 WeakPolarHBondContact O-CB 3.13Å; R107-R111 PolarHBondContact O-N 2.72Å; R107-Q148 PolarHBondContact NH2-O 3.46Å; R107-I150 HydrophobicContact CG-CD1 4.38Å; R107-I150 HydrophobicContact CG-CG1 4.26Å
108R96Very high94.5Very high89 Ų8941.9 Ų41.934%0.33621%0.209SC..Hα-helixtrans-64.3-43.2176-71.7167.6-172.6-87.30.7112F97 P98 D104 Q105 L106 R111 L112F97-R108 HydrophobicContact CB-CB 4.44Å; F97-R108 HydrophobicContact CD1-CB 4.06Å; P98-R108 PolarHBondContact O-NE 3.06Å; D104-R108 WeakPolarHBondContact O-CB 3.41Å; D104-R108 WeakPolarHBondContact O-CG 3.38Å; D104-R108 PolarHBondContact O-N 3.36Å; D104-R108 IonicContact OD1-CZ 3.18Å; D104-R108 IonicContact OD1-NE 2.84Å; D104-R108 PolarHBondContact OD1-NE 3.39Å; D104-R108 VanDerWaalsContact OD1-NE 3.15Å; D104-R108 IonicContact OD1-NH2 2.67Å; D104-R108 IonicContact OD2-CZ 3.72Å; D104-R108 VanDerWaalsContact OD2-CZ 3.3Å; D104-R108 IonicContact OD2-NE 3.15Å; D104-R108 PolarHBondContact OD2-NE 3.33Å; D104-R108 IonicContact OD2-NH2 3.54Å; D104-R108 PolarHBondContact OD2-NH2 3.02Å; Q105-R108 PolarHBondContact O-N 3.44Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 3.48Å; R108-R111 PolarHBondContact O-N 3.34Å; R108-L112 PolarHBondContact O-N 2.86Å
109I97.2Very high94.5Very high0 Ų048.5 Ų48.50%024%0.236CC..Hα-helixtrans-59.7-51.8176-68.2167.1000110.1P64 L67 W80 F97 Q105 L106 R111 L112 L113P64-I109 HydrophobicContact CG-CD1 4.23Å; P64-I109 HydrophobicContact CG-CG2 4.08Å; L67-I109 HydrophobicContact CD1-CD1 3.68Å; W80-I109 HydrophobicContact CH2-CD1 4.4Å; W80-I109 HydrophobicContact CH2-CG1 4.42Å; W80-I109 HydrophobicContact CH2-CG2 3.7Å; W80-I109 HydrophobicContact CZ2-CD1 3.75Å; W80-I109 HydrophobicContact CZ2-CG1 3.94Å; W80-I109 HydrophobicContact CZ2-CG2 4.08Å; F97-I109 HydrophobicContact CD1-CG1 4.16Å; F97-I109 HydrophobicContact CD2-CG1 3.93Å; F97-I109 HydrophobicContact CE1-CG1 4.29Å; F97-I109 HydrophobicContact CE2-CG1 4.07Å; F97-I109 HydrophobicContact CG-CG1 3.97Å; F97-I109 HydrophobicContact CZ-CG1 4.22Å; Q105-I109 HydrophobicContact CG-CD1 4.16Å; Q105-I109 VanDerWaalsContact O-CG1 3.28Å; Q105-I109 WeakPolarHBondContact O-CG1 3.35Å; Q105-I109 PolarHBondContact O-N 2.88Å; L106-I109 PolarHBondContact O-N 3.38Å; I109-R111 VanDerWaalsContact C-N 3.29Å; I109-R111 PolarHBondContact O-N 2.9Å; I109-L112 PolarHBondContact O-N 3Å; I109-L113 HydrophobicContact CG2-CD1 3.89Å; I109-L113 HydrophobicContact CG2-CG 4.4Å; I109-L113 PolarHBondContact O-N 2.95Å
110F96.4Very high94.5Very high0 Ų052.1 Ų52.10%026%0.258CS..Hα-helixtrans-73.4-19.2-176.4-56-32.7000113.8F68 L106 R107 L112 G114 P116 F134 I150 Q153F68-F110 AromaticContact CE2-CZ 3.77Å; F68-F110 HydrophobicContact CE2-CZ 3.77Å; F68-F110 AromaticContact CZ-CE2 3.99Å; F68-F110 HydrophobicContact CZ-CE2 3.99Å; F68-F110 AromaticContact CZ-CZ 3.65Å; F68-F110 HydrophobicContact CZ-CZ 3.65Å; L106-F110 HydrophobicContact CB-CD2 4.39Å; L106-F110 HydrophobicContact CB-CE2 3.89Å; L106-F110 HydrophobicContact CB-CZ 4.43Å; L106-F110 HydrophobicContact CD2-CE2 4Å; L106-F110 HydrophobicContact CD2-CZ 3.73Å; L106-F110 HydrophobicContact CG-CE2 4.47Å; L106-F110 WeakPolarHBondContact O-CD2 3.47Å; L106-F110 VanDerWaalsContact O-CG 3.25Å; L106-F110 WeakPolarHBondContact O-CG 3.2Å; L106-F110 PolarHBondContact O-N 2.75Å; R107-F110 PolarHBondContact O-N 2.82Å; F110-L112 VanDerWaalsContact C-N 3.26Å; F110-L112 PolarHBondContact O-N 3.42Å; F110-G114 WeakPolarHBondContact CD1-O 3.37Å; F110-G114 CarbonylContact O-C 3.55Å; F110-G114 WeakPolarHBondContact O-CA 3.48Å; F110-G114 PolarHBondContact O-N 3.01Å; F110-P116 HydrophobicContact CE1-CG 3.87Å; F110-P116 HydrophobicContact CZ-CG 4.23Å; F110-F134 AromaticContact CE2-CZ 3.96Å; F110-F134 HydrophobicContact CE2-CZ 3.96Å; F110-I150 HydrophobicContact CD2-CD1 4.47Å; F110-I150 HydrophobicContact CD2-CG2 3.85Å; F110-I150 HydrophobicContact CE2-CD1 4.23Å; F110-I150 HydrophobicContact CE2-CG2 4.3Å; F110-Q153 PolarHBondContact O-NE2 3Å
111R95.3Very high94.8Very high149 Ų14947.1 Ų47.156%0.56223%0.227SC*.Hα-helixtrans-63.4-35.9168.2-171.8176.3-179164.21.8111.5R107 R108 I109 A156 M157R107-R111 WeakPolarHBondContact O-CB 3.13Å; R107-R111 PolarHBondContact O-N 2.72Å; R108-R111 PolarHBondContact O-N 3.34Å; I109-R111 VanDerWaalsContact C-N 3.29Å; I109-R111 PolarHBondContact O-N 2.9Å; R111-A156 HydrophobicContact CG-CB 4.06Å; R111-A156 PolarHBondContact O-N 3.03Å; R111-M157 HydrophobicContact CG-SD 4.37Å; R111-M157 PolarHBondContact O-N 2.94Å
112L96.1Very high95.1Very high13 Ų1347.8 Ų47.87%0.06824%0.235CC..Hα-helixtrans-89.3-42.3179.3-177.255.7000113.1L96 F97 R108 I109 F110 A155 M157 L159 V162L96-L112 HydrophobicContact CD1-CD2 3.97Å; L96-L112 HydrophobicContact CD2-CD2 4.14Å; L96-L112 HydrophobicContact CG-CD2 4.34Å; F97-L112 HydrophobicContact CE1-CB 4.03Å; F97-L112 HydrophobicContact CE1-CD2 3.83Å; F97-L112 HydrophobicContact CZ-CB 4.43Å; F97-L112 HydrophobicContact CZ-CD2 3.79Å; R108-L112 PolarHBondContact O-N 2.86Å; I109-L112 PolarHBondContact O-N 3Å; F110-L112 VanDerWaalsContact C-N 3.26Å; F110-L112 PolarHBondContact O-N 3.42Å; L112-A155 WeakPolarHBondContact O-CB 3.41Å; L112-M157 HydrophobicContact CD1-CB 4.12Å; L112-L159 HydrophobicContact CD1-CD2 4.38Å; L112-L159 HydrophobicContact CD2-CD2 3.95Å; L112-L159 HydrophobicContact CG-CD2 4.48Å; L112-V162 HydrophobicContact CD1-CG2 3.74Å
113L96.6Very high95.2Very high52 Ų5247 Ų4727%0.27224%0.236SC..Hα-helixtrans-99-10.6-171.8-57.4-175.3000113.8W80 I109 L178W80-L113 HydrophobicContact CH2-CD1 3.58Å; W80-L113 HydrophobicContact CZ3-CD1 3.89Å; I109-L113 HydrophobicContact CG2-CD1 3.89Å; I109-L113 HydrophobicContact CG2-CG 4.4Å; I109-L113 PolarHBondContact O-N 2.95Å; L113-L178 HydrophobicContact CD1-CB 4.42Å; L113-L178 WeakPolarHBondContact CD1-O 3.41Å; L113-L178 HydrophobicContact CD2-CB 4.44Å
114G96.1Very high95.3Very high7 Ų745.7 Ų45.77%0.07223%0.229CC..  trans77.9161.3-164.800000111.8F110 Q153F110-G114 WeakPolarHBondContact CD1-O 3.37Å; F110-G114 CarbonylContact O-C 3.55Å; F110-G114 WeakPolarHBondContact O-CA 3.48Å; F110-G114 PolarHBondContact O-N 3.01Å; G114-Q153 WeakPolarHBondContact CA-O 3.29Å
115T95.9Very high95.4Very high12 Ų1246.7 Ų46.77%0.07424%0.236CC..  trans-77.4123.6176.1-54.70000109.2F134 A151 I152 Q153T115-F134 HydrophobicContact CG2-CE1 3.55Å; T115-F134 HydrophobicContact CG2-CZ 3.62Å; T115-A151 PolarHBondContact OG1-O 2.85Å; T115-A151 VanDerWaalsContact OG1-O 3.1Å; T115-I152 HydrophobicContact CG2-CG1 4.27Å; T115-Q153 PolarHBondContact N-O 2.81Å; T115-Q153 PolarHBondContact OG1-N 3.49Å
116P95.4Very high95.3Very high8 Ų853.7 Ų53.75%0.05227%0.273CS..  trans-66.5149.8176.328.6-33.7000110.9F110 W121 L124 C180F110-P116 HydrophobicContact CE1-CG 3.87Å; F110-P116 HydrophobicContact CZ-CG 4.23Å; P116-W121 HydrophobicContact CB-CB 4.21Å; P116-W121 HydrophobicContact CB-CE3 4.01Å; P116-W121 HydrophobicContact CG-CE3 3.99Å; P116-W121 HydrophobicContact CG-CZ3 4.4Å; P116-L124 HydrophobicContact CB-CD2 3.88Å; P116-L124 HydrophobicContact CG-CD1 4.5Å; P116-L124 HydrophobicContact CG-CD2 3.71Å; P116-L124 VanDerWaalsContact O-CD2 3.3Å; P116-L124 WeakPolarHBondContact O-CD2 3.48Å; P116-C180 HydrophobicContact CB-CB 4.08Å; P116-C180 HydrophobicContact CG-CB 4.17Å
117T93.4Very high95.2Very high53 Ų5355 Ų5533%0.32528%0.28SS..  trans-121.7169.3179610000109.1E119 T120 W121T117-E119 PolarHBondContact O-N 3.39Å; T117-E119 VanDerWaalsContact O-N 3.15Å; T117-E119 PolarHBondContact OG1-N 3.41Å; T117-T120 PolarHBondContact N-OG1 3.18Å; T117-T120 PolarHBondContact O-N 3.02Å; T117-T120 VanDerWaalsContact O-N 3.13Å; T117-T120 PolarHBondContact O-OG1 3.47Å; T117-T120 PolarHBondContact OG1-N 3.21Å; T117-T120 PolarHBondContact OG1-OG1 3.26Å; T117-W121 CarbonylContact O-C 3.56Å; T117-W121 PolarHBondContact O-N 3.27Å
118E94.2Very high95Very high77 Ų7754.7 Ų54.736%0.3629%0.289SS..THydrogen-bonded Turntrans-59.8-22.1172.5-76.6-63.714800113.4P122 G123 L124 T125E118-P122 WeakPolarHBondContact O-CA 3.39Å; E118-P122 WeakPolarHBondContact O-CG 3.48Å; E118-G123 PolarHBondContact OE2-N 3.41Å; E118-L124 PolarHBondContact OE1-N 3.45Å; E118-T125 HydrophobicContact CG-CG2 3.88Å; E118-T125 WeakPolarHBondContact OE1-CB 3.38Å; E118-T125 WeakPolarHBondContact OE1-CG2 3.37Å; E118-T125 PolarHBondContact OE1-N 3.41Å; E118-T125 PolarHBondContact OE1-OG1 2.83Å
119E95.2Very high94.7Very high179 Ų17953.1 Ų53.184%0.83629%0.287SS*.THydrogen-bonded Turntrans-73-44.7174-175.3-177176.800111.9T117T117-E119 PolarHBondContact O-N 3.39Å; T117-E119 VanDerWaalsContact O-N 3.15Å; T117-E119 PolarHBondContact OG1-N 3.41Å
120T95Very high94.5Very high78 Ų7854.6 Ų54.648%0.47929%0.293SS..THydrogen-bonded Turntrans-86-24.7-176.749.80000112.8T117T117-T120 PolarHBondContact N-OG1 3.18Å; T117-T120 PolarHBondContact O-N 3.02Å; T117-T120 VanDerWaalsContact O-N 3.13Å; T117-T120 PolarHBondContact O-OG1 3.47Å; T117-T120 PolarHBondContact OG1-N 3.21Å; T117-T120 PolarHBondContact OG1-OG1 3.26Å
121W96.5Very high94Very high14 Ų1462.3 Ų62.35%0.05332%0.321CS..SBendtrans-143.785.2175.6-173.3-5.7000110.6P64 D65 F68 P116 T117 G123 L124 L127 C180 N181 P182P64-W121 HydrophobicContact CB-CH2 4.08Å; P64-W121 HydrophobicContact CB-CZ3 3.81Å; D65-W121 HydrophobicContact CB-CH2 3.68Å; D65-W121 HydrophobicContact CB-CZ2 3.66Å; F68-W121 HydrophobicContact CD2-CH2 4.2Å; F68-W121 HydrophobicContact CD2-CZ3 4.27Å; F68-W121 HydrophobicContact CE2-CZ3 4.38Å; P116-W121 HydrophobicContact CB-CB 4.21Å; P116-W121 HydrophobicContact CB-CE3 4.01Å; P116-W121 HydrophobicContact CG-CE3 3.99Å; P116-W121 HydrophobicContact CG-CZ3 4.4Å; T117-W121 CarbonylContact O-C 3.56Å; T117-W121 PolarHBondContact O-N 3.27Å; W121-G123 PolarHBondContact O-N 2.96Å; W121-L124 HydrophobicContact CB-CB 4.23Å; W121-L124 HydrophobicContact CD2-CB 4.15Å; W121-L124 HydrophobicContact CD2-CD1 4.13Å; W121-L124 HydrophobicContact CE3-CB 4.49Å; W121-L124 HydrophobicContact CE3-CD1 3.75Å; W121-L124 HydrophobicContact CE3-CG 4.49Å; W121-L124 HydrophobicContact CG-CB 4.04Å; W121-L124 HydrophobicContact CH2-CD1 4.18Å; W121-L124 HydrophobicContact CZ3-CD1 3.77Å; W121-L124 VanDerWaalsContact O-CB 3.24Å; W121-L124 WeakPolarHBondContact O-CB 3.29Å; W121-L124 PolarHBondContact O-N 3.26Å; W121-L124 VanDerWaalsContact O-N 3.16Å; W121-L127 HydrophobicContact CH2-CD1 3.78Å; W121-L127 HydrophobicContact CZ2-CD1 3.56Å; W121-C180 HydrophobicContact CE3-CB 3.86Å; W121-C180 HydrophobicContact CZ3-CB 4.11Å; W121-C180 WeakPolarHBondContact CZ3-O 3.34Å; W121-N181 HydrophobicContact CB-CB 4.02Å; W121-N181 HydrophobicContact CD2-CB 4.29Å; W121-N181 HydrophobicContact CG-CB 3.84Å; W121-P182 HydrophobicContact CZ2-CG 4.39Å
122P96.1Very high93.6Very high86 Ų8659.5 Ų59.556%0.55832%0.321SS*.THydrogen-bonded Turntrans-57.5130174.7-25.634.6000111.9E118E118-P122 WeakPolarHBondContact O-CA 3.39Å; E118-P122 WeakPolarHBondContact O-CG 3.48Å
123G94.2Very high93.1Very high26 Ų2660.2 Ų60.227%0.26832%0.324SS..THydrogen-bonded Turntrans87.43.1-17900000114.9E118 W121 T125 L126E118-G123 PolarHBondContact OE2-N 3.41Å; W121-G123 PolarHBondContact O-N 2.96Å; G123-T125 VanDerWaalsContact C-N 3.29Å; G123-T125 PolarHBondContact O-N 3.39Å; G123-L126 WeakPolarHBondContact O-CB 3.35Å; G123-L126 PolarHBondContact O-N 3.46Å; G123-L126 VanDerWaalsContact O-N 3.09Å
124L94.2Very high92.7Very high1 Ų158.8 Ų58.81%0.00532%0.315CS..G310 helixtrans-53.6-44.5174.8168.765.5000112.2F68 P116 E118 W121 L126 L127 Y130F68-L124 HydrophobicContact CD2-CD1 3.81Å; F68-L124 HydrophobicContact CE2-CD1 3.76Å; F68-L124 HydrophobicContact CZ-CD1 4.44Å; P116-L124 HydrophobicContact CB-CD2 3.88Å; P116-L124 HydrophobicContact CG-CD1 4.5Å; P116-L124 HydrophobicContact CG-CD2 3.71Å; P116-L124 VanDerWaalsContact O-CD2 3.3Å; P116-L124 WeakPolarHBondContact O-CD2 3.48Å; E118-L124 PolarHBondContact OE1-N 3.45Å; W121-L124 HydrophobicContact CB-CB 4.23Å; W121-L124 HydrophobicContact CD2-CB 4.15Å; W121-L124 HydrophobicContact CD2-CD1 4.13Å; W121-L124 HydrophobicContact CE3-CB 4.49Å; W121-L124 HydrophobicContact CE3-CD1 3.75Å; W121-L124 HydrophobicContact CE3-CG 4.49Å; W121-L124 HydrophobicContact CG-CB 4.04Å; W121-L124 HydrophobicContact CH2-CD1 4.18Å; W121-L124 HydrophobicContact CZ3-CD1 3.77Å; W121-L124 VanDerWaalsContact O-CB 3.24Å; W121-L124 WeakPolarHBondContact O-CB 3.29Å; W121-L124 PolarHBondContact O-N 3.26Å; W121-L124 VanDerWaalsContact O-N 3.16Å; L124-L126 PolarHBondContact O-N 3.34Å; L124-L126 VanDerWaalsContact O-N 3.17Å; L124-L127 HydrophobicContact CD1-CD1 4.04Å; L124-L127 WeakPolarHBondContact O-CB 3.46Å; L124-L127 WeakPolarHBondContact O-CG 3.49Å; L124-L127 PolarHBondContact O-N 2.9Å; L124-L127 VanDerWaalsContact O-N 3.09Å; L124-Y130 HydrophobicContact CD1-CD2 3.99Å; L124-Y130 HydrophobicContact CD1-CE2 4.35Å; L124-Y130 HydrophobicContact CD2-CD2 4.34Å; L124-Y130 HydrophobicContact CD2-CE2 3.86Å; L124-Y130 HydrophobicContact CG-CD2 3.7Å; L124-Y130 HydrophobicContact CG-CE2 3.69Å
125T93Very high91.8Very high56 Ų5663.1 Ų63.134%0.34434%0.336SS..G310 helixtrans-66.4-15-178.957.20000113.6E118 G123 Y130E118-T125 HydrophobicContact CG-CG2 3.88Å; E118-T125 WeakPolarHBondContact OE1-CB 3.38Å; E118-T125 WeakPolarHBondContact OE1-CG2 3.37Å; E118-T125 PolarHBondContact OE1-N 3.41Å; E118-T125 PolarHBondContact OE1-OG1 2.83Å; G123-T125 VanDerWaalsContact C-N 3.29Å; G123-T125 PolarHBondContact O-N 3.39Å; T125-Y130 HydrophobicContact CG2-CD1 4.22Å; T125-Y130 HydrophobicContact CG2-CE1 3.65Å; T125-Y130 HydrophobicContact CG2-CE2 4.14Å
126L93.8Very high90.2Very high147 Ų14765.5 Ų65.577%0.7735%0.348SS*.G310 helixtrans-88.8-8.2177.5-54.4177.1000112.6G123 L124G123-L126 WeakPolarHBondContact O-CB 3.35Å; G123-L126 PolarHBondContact O-N 3.46Å; G123-L126 VanDerWaalsContact O-N 3.09Å; L124-L126 PolarHBondContact O-N 3.34Å; L124-L126 VanDerWaalsContact O-N 3.17Å
127L93Very high88.2Confident29 Ų2974.8 Ų74.815%0.15238%0.382CS..SBendtrans-68.1140.7177.6-65.7177.4000110.9F68 A70 W121 L124 D129 Y130F68-L127 HydrophobicContact CB-CB 3.75Å; F68-L127 HydrophobicContact CB-CD1 3.51Å; F68-L127 HydrophobicContact CB-CG 4.25Å; F68-L127 HydrophobicContact CD2-CD1 4.08Å; F68-L127 HydrophobicContact CG-CD1 4.12Å; A70-L127 HydrophobicContact CB-CD2 3.97Å; W121-L127 HydrophobicContact CH2-CD1 3.78Å; W121-L127 HydrophobicContact CZ2-CD1 3.56Å; L124-L127 HydrophobicContact CD1-CD1 4.04Å; L124-L127 WeakPolarHBondContact O-CB 3.46Å; L124-L127 WeakPolarHBondContact O-CG 3.49Å; L124-L127 PolarHBondContact O-N 2.9Å; L124-L127 VanDerWaalsContact O-N 3.09Å; L127-D129 VanDerWaalsContact C-N 3.28Å; L127-D129 PolarHBondContact O-N 3.22Å; L127-D129 VanDerWaalsContact O-N 3.13Å; L127-Y130 WeakPolarHBondContact O-CB 3.37Å; L127-Y130 PolarHBondContact O-N 3.44Å
128P91.3Very high86Confident73 Ų7375.9 Ų75.947%0.47440%0.396SS..THydrogen-bonded Turntrans-51.4-42.5-170.3-32.438.8000114.8F68 G69F68-P128 WeakPolarHBondContact O-CD 3.39Å; G69-P128 WeakPolarHBondContact O-CG 3.2Å
129D90.7Very high83.7Confident55 Ų5578.1 Ų78.129%0.29441%0.41SS..THydrogen-bonded Turntrans-995.1-173.4-55.7-35.1000112.7F68 G69 L127 R131 V132 F133F68-D129 PolarHBondContact O-N 3.17Å; G69-D129 WeakPolarHBondContact CA-OD2 3.4Å; L127-D129 VanDerWaalsContact C-N 3.28Å; L127-D129 PolarHBondContact O-N 3.22Å; L127-D129 VanDerWaalsContact O-N 3.13Å; D129-R131 VanDerWaalsContact C-N 3.29Å; D129-R131 PolarHBondContact O-N 3.48Å; D129-V132 HydrophobicContact CB-CB 4.48Å; D129-V132 HydrophobicContact CB-CG2 4.37Å; D129-V132 WeakPolarHBondContact O-CB 3.43Å; D129-V132 PolarHBondContact O-N 3.22Å; D129-V132 VanDerWaalsContact O-N 3.08Å; D129-F133 HydrophobicContact CB-CD2 4.24Å; D129-F133 HydrophobicContact CB-CE2 3.78Å; D129-F133 WeakPolarHBondContact O-CD2 3.38Å; D129-F133 PolarHBondContact O-N 3.19Å
130Y91.1Very high81.2Confident32 Ų3275.2 Ų75.213%0.12541%0.409CS..Hα-helixtrans-54.8-46.4177.6178.3-92.3000111.7L124 T125 L127 V132 F133 F134 L135L124-Y130 HydrophobicContact CD1-CD2 3.99Å; L124-Y130 HydrophobicContact CD1-CE2 4.35Å; L124-Y130 HydrophobicContact CD2-CD2 4.34Å; L124-Y130 HydrophobicContact CD2-CE2 3.86Å; L124-Y130 HydrophobicContact CG-CD2 3.7Å; L124-Y130 HydrophobicContact CG-CE2 3.69Å; T125-Y130 HydrophobicContact CG2-CD1 4.22Å; T125-Y130 HydrophobicContact CG2-CE1 3.65Å; T125-Y130 HydrophobicContact CG2-CE2 4.14Å; L127-Y130 WeakPolarHBondContact O-CB 3.37Å; L127-Y130 PolarHBondContact O-N 3.44Å; Y130-V132 VanDerWaalsContact C-N 3.26Å; Y130-V132 PolarHBondContact O-N 2.98Å; Y130-F133 PolarHBondContact O-N 3.42Å; Y130-F134 HydrophobicContact CD1-CB 4.49Å; Y130-F134 HydrophobicContact CD1-CD2 4.5Å; Y130-F134 AromaticContact CD2-CD2 3.51Å; Y130-F134 HydrophobicContact CD2-CD2 3.51Å; Y130-F134 AromaticContact CD2-CE2 3.89Å; Y130-F134 HydrophobicContact CD2-CE2 3.89Å; Y130-F134 HydrophobicContact CD2-CG 4.46Å; Y130-F134 HydrophobicContact CE1-CB 4Å; Y130-F134 HydrophobicContact CE1-CD2 4.32Å; Y130-F134 HydrophobicContact CE1-CG 4.42Å; Y130-F134 HydrophobicContact CE2-CB 4.38Å; Y130-F134 AromaticContact CE2-CD2 3.28Å; Y130-F134 HydrophobicContact CE2-CD2 3.28Å; Y130-F134 AromaticContact CE2-CE2 3.63Å; Y130-F134 HydrophobicContact CE2-CE2 3.63Å; Y130-F134 AromaticContact CE2-CG 3.93Å; Y130-F134 HydrophobicContact CE2-CG 3.93Å; Y130-F134 HydrophobicContact CG-CD2 4.13Å; Y130-F134 AromaticContact CZ-CD2 3.73Å; Y130-F134 AromaticContact CZ-CG 3.9Å; Y130-F134 PolarHBondContact O-N 3.42Å; Y130-L135 HydrophobicContact CE1-CD1 4.35Å
131R87.2Confident78.5Confident161 Ų16176.6 Ų76.661%0.60842%0.417SS*.Hα-helixtrans-66.2-30.2-179-59.9-164.7167.9-110.3-0.4112.8D129 F133 L135D129-R131 VanDerWaalsContact C-N 3.29Å; D129-R131 PolarHBondContact O-N 3.48Å; R131-F133 VanDerWaalsContact C-N 3.33Å; R131-L135 HydrophobicContact CB-CB 4.47Å; R131-L135 HydrophobicContact CB-CD1 4.32Å; R131-L135 HydrophobicContact CG-CD1 3.92Å; R131-L135 PolarHBondContact O-N 2.95Å; R131-L135 VanDerWaalsContact O-N 3.13Å
132V86.4Confident75.9Confident91 Ų9184 Ų8455%0.55246%0.455SS*.Hα-helixtrans-62.2-45.4178.1179.50000109.5D129 Y130D129-V132 HydrophobicContact CB-CB 4.48Å; D129-V132 HydrophobicContact CB-CG2 4.37Å; D129-V132 WeakPolarHBondContact O-CB 3.43Å; D129-V132 PolarHBondContact O-N 3.22Å; D129-V132 VanDerWaalsContact O-N 3.08Å; Y130-V132 VanDerWaalsContact C-N 3.26Å; Y130-V132 PolarHBondContact O-N 2.98Å
133F86.3Confident73.5Confident28 Ų2884.1 Ų84.112%0.12347%0.471CS..Hα-helixtrans-88.4-26.6-174.9-60.8-65.3000114.9F68 V102 E103 L106 D129 Y130 R131 P149 I150F68-F133 AromaticContact CD1-CD2 3.8Å; F68-F133 HydrophobicContact CD1-CD2 3.8Å; F68-F133 HydrophobicContact CD1-CE2 4.39Å; F68-F133 HydrophobicContact CE1-CB 4.22Å; F68-F133 AromaticContact CE1-CD2 3.76Å; F68-F133 HydrophobicContact CE1-CD2 3.76Å; F68-F133 HydrophobicContact CE1-CG 4.35Å; V102-F133 HydrophobicContact CB-CE1 4.49Å; V102-F133 HydrophobicContact CB-CZ 4.14Å; V102-F133 HydrophobicContact CG1-CE1 4Å; V102-F133 HydrophobicContact CG1-CE2 4Å; V102-F133 HydrophobicContact CG1-CZ 3.34Å; E103-F133 HydrophobicContact CB-CD1 4.36Å; E103-F133 HydrophobicContact CB-CE1 4.21Å; L106-F133 HydrophobicContact CD1-CB 4.39Å; L106-F133 HydrophobicContact CD1-CD1 3.97Å; L106-F133 HydrophobicContact CD1-CD2 3.6Å; L106-F133 HydrophobicContact CD1-CE1 4.16Å; L106-F133 HydrophobicContact CD1-CE2 3.8Å; L106-F133 HydrophobicContact CD1-CG 3.71Å; L106-F133 HydrophobicContact CD1-CZ 4.09Å; D129-F133 HydrophobicContact CB-CD2 4.24Å; D129-F133 HydrophobicContact CB-CE2 3.78Å; D129-F133 WeakPolarHBondContact O-CD2 3.38Å; D129-F133 PolarHBondContact O-N 3.19Å; Y130-F133 PolarHBondContact O-N 3.42Å; R131-F133 VanDerWaalsContact C-N 3.33Å; F133-P149 WeakPolarHBondContact O-CA 3.41Å; F133-I150 HydrophobicContact CB-CD1 3.98Å; F133-I150 HydrophobicContact CB-CG1 4.4Å; F133-I150 PolarHBondContact O-N 2.89Å
134F86.8Confident71Confident21 Ų2191.6 Ų91.69%0.09250%0.499CS..Hα-helixtrans-111-23.2-173-74.3-75.2000116.1F68 F110 T115 Y130 I150F68-F134 HydrophobicContact CE1-CD2 4.19Å; F68-F134 AromaticContact CE1-CE2 3.66Å; F68-F134 HydrophobicContact CE1-CE2 3.66Å; F68-F134 HydrophobicContact CZ-CD2 4.45Å; F68-F134 AromaticContact CZ-CE2 3.51Å; F68-F134 HydrophobicContact CZ-CE2 3.51Å; F68-F134 HydrophobicContact CZ-CZ 4.24Å; F110-F134 AromaticContact CE2-CZ 3.96Å; F110-F134 HydrophobicContact CE2-CZ 3.96Å; T115-F134 HydrophobicContact CG2-CE1 3.55Å; T115-F134 HydrophobicContact CG2-CZ 3.62Å; Y130-F134 HydrophobicContact CD1-CB 4.49Å; Y130-F134 HydrophobicContact CD1-CD2 4.5Å; Y130-F134 AromaticContact CD2-CD2 3.51Å; Y130-F134 HydrophobicContact CD2-CD2 3.51Å; Y130-F134 AromaticContact CD2-CE2 3.89Å; Y130-F134 HydrophobicContact CD2-CE2 3.89Å; Y130-F134 HydrophobicContact CD2-CG 4.46Å; Y130-F134 HydrophobicContact CE1-CB 4Å; Y130-F134 HydrophobicContact CE1-CD2 4.32Å; Y130-F134 HydrophobicContact CE1-CG 4.42Å; Y130-F134 HydrophobicContact CE2-CB 4.38Å; Y130-F134 AromaticContact CE2-CD2 3.28Å; Y130-F134 HydrophobicContact CE2-CD2 3.28Å; Y130-F134 AromaticContact CE2-CE2 3.63Å; Y130-F134 HydrophobicContact CE2-CE2 3.63Å; Y130-F134 AromaticContact CE2-CG 3.93Å; Y130-F134 HydrophobicContact CE2-CG 3.93Å; Y130-F134 HydrophobicContact CG-CD2 4.13Å; Y130-F134 AromaticContact CZ-CD2 3.73Å; Y130-F134 AromaticContact CZ-CG 3.9Å; Y130-F134 PolarHBondContact O-N 3.42Å; F134-I150 HydrophobicContact CD1-CB 4.07Å; F134-I150 HydrophobicContact CD1-CG2 4.49Å; F134-I150 VanDerWaalsContact CD1-O 3.23Å; F134-I150 WeakPolarHBondContact CD1-O 3.34Å; F134-I150 HydrophobicContact CE1-CB 3.7Å; F134-I150 HydrophobicContact CE1-CG2 3.67Å; F134-I150 WeakPolarHBondContact CE1-O 3.34Å; F134-I150 HydrophobicContact CZ-CB 4.21Å; F134-I150 HydrophobicContact CZ-CG2 4.05Å
135L78.4Confident68.9Low98 Ų9899.1 Ų99.151%0.51353%0.534SS..SBendtrans-114.71.8-168.8-75.8165.5000114.5Y130 R131Y130-L135 HydrophobicContact CE1-CD1 4.35Å; R131-L135 HydrophobicContact CB-CB 4.47Å; R131-L135 HydrophobicContact CB-CD1 4.32Å; R131-L135 HydrophobicContact CG-CD1 3.92Å; R131-L135 PolarHBondContact O-N 2.95Å; R131-L135 VanDerWaalsContact O-N 3.13Å
136N62.2Low67.1Low62 Ų62103.8 Ų103.833%0.33256%0.556SS.*  trans37.579.2-177.8-124.4-14.5000112.5A138 F147 P149N136-A138 PolarHBondContact O-N 3.35Å; N136-F147 PolarHBondContact ND2-O 3.09Å; N136-F147 PolarHBondContact OD1-O 3.07Å; N136-F147 VanDerWaalsContact OD1-O 3.07Å; N136-P149 HydrophobicContact CB-CG 3.73Å; N136-P149 VanDerWaalsContact ND2-CD 3.31Å; N136-P149 WeakPolarHBondContact ND2-CD 3.47Å
137R53.3Low65.5Low204 Ų204101.9 Ų101.977%0.7754%0.542SS*.  trans-72.996.3154.9-67-153.692.61696.3105.7I139R137-I139 HydrophobicContact CB-CG1 4.13Å; R137-I139 PolarHBondContact O-N 3.44Å
138A46.5Very low64.6Low75 Ų75107.1 Ų107.162%0.6257%0.565SS**  trans-52.179.7149.600000107.6N136 S140N136-A138 PolarHBondContact O-N 3.35Å; A138-S140 PolarHBondContact O-N 3.09Å
139I46.1Very low64.1Low125 Ų125105.8 Ų105.864%0.64156%0.557SS**  trans-78.176.8154.4-64.5-174.8000103.2R137 V141R137-I139 HydrophobicContact CB-CG1 4.13Å; R137-I139 PolarHBondContact O-N 3.44Å; I139-V141 HydrophobicContact CG2-CG2 3.17Å; I139-V141 PolarHBondContact O-N 3.17Å
140S42.3Very low63.8Low118 Ų118103.6 Ų103.683%0.82555%0.545SS*.  trans-66.477.7162.2-163.50000106.6A138A138-S140 PolarHBondContact O-N 3.09Å
141V40Very low63.6Low106 Ų106104.9 Ų104.964%0.64256%0.562SS**SBendtrans-136.5106.4157-99.10000106.3I139I139-V141 HydrophobicContact CG2-CG2 3.17Å; I139-V141 PolarHBondContact O-N 3.17Å
142M41.4Very low63.6Low171 Ų171103 Ų10384%0.84256%0.563SS**SBendtrans78.467.6166.5-49.1-151.7-80.500116.4H144M142-H144 VanDerWaalsContact C-N 3.29Å; M142-H144 PolarHBondContact O-N 3.13Å
143G44.6Very low63.8Low87 Ų87102.6 Ų102.690%0.89756%0.555SS**SBendtrans69.11.513700000119.7
144H43.2Very low64Low184 Ų184105.3 Ų105.385%0.85258%0.583SS**  trans-107.1130.6178.8-81.1-81.4000112.6M142M142-H144 VanDerWaalsContact C-N 3.29Å; M142-H144 PolarHBondContact O-N 3.13Å
145Q49.5Very low64.2Low158 Ų158106.8 Ų106.874%0.73860%0.599SS**  trans-2.6120.3-179-85.6169.9-27.800118.8F147Q145-F147 PolarHBondContact O-N 2.97Å; Q145-F147 VanDerWaalsContact O-N 3.13Å
146L54.9Low64.7Low154 Ų154105.5 Ų105.581%0.80660%0.602SS**  trans-64.3102.7162.5-65.8167000109.3
147F61.1Low66Low108 Ų108105.9 Ų105.947%0.47460%0.603SS.*PPolyproline II helixtrans-69.9139.1165.5-67.9-71.6000109.5E103 N136 Q145E103-F147 WeakPolarHBondContact OE2-CB 3.35Å; E103-F147 WeakPolarHBondContact OE2-CD1 3.28Å; E103-F147 WeakPolarHBondContact OE2-CG 3.06Å; N136-F147 PolarHBondContact ND2-O 3.09Å; N136-F147 PolarHBondContact OD1-O 3.07Å; N136-F147 VanDerWaalsContact OD1-O 3.07Å; Q145-F147 PolarHBondContact O-N 2.97Å; Q145-F147 VanDerWaalsContact O-N 3.13Å
148Q73.1Confident67.8Low138 Ų13898.8 Ų98.865%0.64558%0.584SS**PPolyproline II helixtrans-85.6140171.1-75.3-70.1-16.500108.3R107 I150R107-Q148 PolarHBondContact NH2-O 3.46Å; Q148-I150 PolarHBondContact O-N 2.87Å
149P81.5Confident70Confident46 Ų4696 Ų9630%0.29956%0.559SS.*PPolyproline II helixtrans-57.8146.5177.4-2438.5000110.7F133 N136 A151F133-P149 WeakPolarHBondContact O-CA 3.41Å; N136-P149 HydrophobicContact CB-CG 3.73Å; N136-P149 VanDerWaalsContact ND2-CD 3.31Å; N136-P149 WeakPolarHBondContact ND2-CD 3.47Å; P149-A151 PolarHBondContact O-N 3.26Å
150I84.4Confident72.2Confident8 Ų891 Ų914%0.04154%0.538CS..PPolyproline II helixtrans-65.5120.2168.3-62.6-177.1000107.6L106 R107 F110 F133 F134 Q148L106-I150 HydrophobicContact CB-CD1 3.7Å; L106-I150 HydrophobicContact CD1-CD1 4.12Å; R107-I150 HydrophobicContact CG-CD1 4.38Å; R107-I150 HydrophobicContact CG-CG1 4.26Å; F110-I150 HydrophobicContact CD2-CD1 4.47Å; F110-I150 HydrophobicContact CD2-CG2 3.85Å; F110-I150 HydrophobicContact CE2-CD1 4.23Å; F110-I150 HydrophobicContact CE2-CG2 4.3Å; F133-I150 HydrophobicContact CB-CD1 3.98Å; F133-I150 HydrophobicContact CB-CG1 4.4Å; F133-I150 PolarHBondContact O-N 2.89Å; F134-I150 HydrophobicContact CD1-CB 4.07Å; F134-I150 HydrophobicContact CD1-CG2 4.49Å; F134-I150 VanDerWaalsContact CD1-O 3.23Å; F134-I150 WeakPolarHBondContact CD1-O 3.34Å; F134-I150 HydrophobicContact CE1-CB 3.7Å; F134-I150 HydrophobicContact CE1-CG2 3.67Å; F134-I150 WeakPolarHBondContact CE1-O 3.34Å; F134-I150 HydrophobicContact CZ-CB 4.21Å; F134-I150 HydrophobicContact CZ-CG2 4.05Å; Q148-I150 PolarHBondContact O-N 2.87Å
151A85.6Confident74.6Confident60 Ų6091.7 Ų91.750%0.49653%0.528SS..PPolyproline II helixtrans-68.3140.8176.100000110.5T115 P149 Q153T115-A151 PolarHBondContact OG1-O 2.85Å; T115-A151 VanDerWaalsContact OG1-O 3.1Å; P149-A151 PolarHBondContact O-N 3.26Å; A151-Q153 PolarHBondContact O-N 3.01Å
152I88.1Confident77.1Confident122 Ų12288.6 Ų88.663%0.62651%0.51SS*.PPolyproline II helixtrans-72.1120.4168.5-61.8173.2000107.4T115T115-I152 HydrophobicContact CG2-CG1 4.27Å
153Q89.8Confident79.7Confident82 Ų8280.5 Ų80.538%0.38347%0.47SS..  trans-142.3151.6-176.264.2-177.223.400111.1F110 G114 T115 A151F110-Q153 PolarHBondContact O-NE2 3Å; G114-Q153 WeakPolarHBondContact CA-O 3.29Å; T115-Q153 PolarHBondContact N-O 2.81Å; T115-Q153 PolarHBondContact OG1-N 3.49Å; A151-Q153 PolarHBondContact O-N 3.01Å
154A91.6Very high82Confident85 Ų8580.8 Ų80.870%0.70246%0.456SS*.  trans-68.7163.4164.300000110.5A156A154-A156 PolarHBondContact O-N 3.22Å
155A91.6Very high84.4Confident52 Ų5277.2 Ų77.243%0.4345%0.447SS..  trans-56.4121.7171.200000109.9L112 M157L112-A155 WeakPolarHBondContact O-CB 3.41Å; A155-M157 VanDerWaalsContact C-N 3.29Å
156A87.1Confident86.5Confident70 Ų7070.2 Ų70.258%0.57942%0.415SS*.SBendtrans-83.8-10.717900000112.4R111 A154R111-A156 HydrophobicContact CG-CB 4.06Å; R111-A156 PolarHBondContact O-N 3.03Å; A154-A156 PolarHBondContact O-N 3.22Å
157M90.4Very high88.4Confident70 Ų7065.7 Ų65.735%0.34540%0.396SS..SBendtrans-141.8155.1-176.7-57.5-178.476.900110R111 L112 A155 V162R111-M157 HydrophobicContact CG-SD 4.37Å; R111-M157 PolarHBondContact O-N 2.94Å; L112-M157 HydrophobicContact CD1-CB 4.12Å; A155-M157 VanDerWaalsContact C-N 3.29Å; M157-V162 HydrophobicContact CB-CG2 4.08Å; M157-V162 HydrophobicContact CE-CG2 3.55Å; M157-V162 HydrophobicContact SD-CG2 4.14Å
158S90.8Very high90.1Very high56 Ų5664.7 Ų64.739%0.39240%0.402SS..  trans-105.6155.4168.766.10000111.4G160 Q161 V162S158-G160 PolarHBondContact O-N 3.45Å; S158-G160 VanDerWaalsContact O-N 3.17Å; S158-Q161 PolarHBondContact O-N 3.36Å; S158-Q161 WeakPolarHBondContact OG-CG 3.33Å; S158-Q161 PolarHBondContact OG-N 3.33Å; S158-Q161 PolarHBondContact OG-OE1 3.5Å; S158-V162 PolarHBondContact O-N 2.92Å; S158-V162 VanDerWaalsContact O-N 3.1Å
159L92.5Very high91.2Very high17 Ų1761.6 Ų61.69%0.08939%0.387CS..Hα-helixtrans-57-30173.2-73.9173000112.8L112 Q161 V162 I163 R171 L174 Q175L112-L159 HydrophobicContact CD1-CD2 4.38Å; L112-L159 HydrophobicContact CD2-CD2 3.95Å; L112-L159 HydrophobicContact CG-CD2 4.48Å; L159-Q161 VanDerWaalsContact C-N 3.34Å; L159-V162 PolarHBondContact O-N 3.04Å; L159-I163 HydrophobicContact CD2-CD1 4.41Å; L159-I163 WeakPolarHBondContact O-CA 3.5Å; L159-I163 PolarHBondContact O-N 3.08Å; L159-R171 HydrophobicContact CB-CG 4.45Å; L159-L174 HydrophobicContact CD1-CD2 4.47Å; L159-L174 HydrophobicContact CD1-CG 4.38Å; L159-L174 HydrophobicContact CD2-CD2 3.82Å; L159-L174 HydrophobicContact CD2-CG 4.32Å; L159-Q175 HydrophobicContact CD1-CB 3.77Å; L159-Q175 HydrophobicContact CD1-CG 4.3Å
160G92.6Very high91.9Very high19 Ų1959.4 Ų59.420%0.19637%0.372CS..Hα-helixtrans-66.6-33.3175.200000114S158 P164S158-G160 PolarHBondContact O-N 3.45Å; S158-G160 VanDerWaalsContact O-N 3.17Å; G160-P164 WeakPolarHBondContact O-CA 3.4Å
161Q92.7Very high92.5Very high132 Ų13263.1 Ų63.162%0.61739%0.386SS*.Hα-helixtrans-77.9-38.2175.9-70163.9-61.400111.7S158 L159S158-Q161 PolarHBondContact O-N 3.36Å; S158-Q161 WeakPolarHBondContact OG-CG 3.33Å; S158-Q161 PolarHBondContact OG-N 3.33Å; S158-Q161 PolarHBondContact OG-OE1 3.5Å; L159-Q161 VanDerWaalsContact C-N 3.34Å
162V93Very high93.1Very high42 Ų4263 Ų6326%0.25538%0.377SS..Hα-helixtrans-76.2-37.8-178.5-179.20000111.8L96 L112 M157 S158 L159L96-V162 HydrophobicContact CD1-CG1 3.7Å; L112-V162 HydrophobicContact CD1-CG2 3.74Å; M157-V162 HydrophobicContact CB-CG2 4.08Å; M157-V162 HydrophobicContact CE-CG2 3.55Å; M157-V162 HydrophobicContact SD-CG2 4.14Å; S158-V162 PolarHBondContact O-N 2.92Å; S158-V162 VanDerWaalsContact O-N 3.1Å; L159-V162 PolarHBondContact O-N 3.04Å
163I94.8Very high93.5Very high0 Ų057.2 Ų57.20%035%0.347CS..  trans-132.666.9-172.3-40.7-177.9000109.8A87 A90 L96 L159 T165 L166 L174A87-I163 HydrophobicContact CB-CD1 3.48Å; A87-I163 VanDerWaalsContact CB-CD1 3.48Å; A90-I163 HydrophobicContact CB-CG2 3.43Å; A90-I163 VanDerWaalsContact CB-CG2 3.43Å; L96-I163 HydrophobicContact CD1-CD1 4.35Å; L159-I163 HydrophobicContact CD2-CD1 4.41Å; L159-I163 WeakPolarHBondContact O-CA 3.5Å; L159-I163 PolarHBondContact O-N 3.08Å; I163-T165 PolarHBondContact O-N 3.38Å; I163-L166 HydrophobicContact CB-CB 4.45Å; I163-L166 HydrophobicContact CG2-CB 3.69Å; I163-L166 HydrophobicContact CG2-CD2 4.43Å; I163-L166 PolarHBondContact O-N 3.15Å; I163-L174 HydrophobicContact CD1-CD2 3.44Å; I163-L174 VanDerWaalsContact CD1-CD2 3.44Å
164P93.7Very high93.9Very high94 Ų9453.3 Ų53.361%0.6133%0.329SS*.THydrogen-bonded Turntrans-67.3-23.5-173.927.4-35.6000113.3G160 L166G160-P164 WeakPolarHBondContact O-CA 3.4Å; P164-L166 VanDerWaalsContact C-N 3.28Å; P164-L166 PolarHBondContact O-N 2.6Å
165T93Very high94.2Very high108 Ų10855.2 Ų55.266%0.66332%0.323SS*.THydrogen-bonded Turntrans-72.5-19.1179.4500000113.2A90 I163A90-T165 PolarHBondContact O-OG1 3.43Å; I163-T165 PolarHBondContact O-N 3.38Å
166L95Very high94.5Very high12 Ų1256.2 Ų56.26%0.06332%0.318CS..SBendtrans-83.9129.9-177.8-168.662.4000110.7F86 A90 I163 P164 G170 R171 L174F86-L166 HydrophobicContact CE1-CD2 4.19Å; F86-L166 HydrophobicContact CE2-CD1 3.87Å; F86-L166 HydrophobicContact CZ-CD1 3.71Å; F86-L166 HydrophobicContact CZ-CD2 4.05Å; F86-L166 HydrophobicContact CZ-CG 4.47Å; A90-L166 HydrophobicContact CB-CB 4.24Å; A90-L166 HydrophobicContact CB-CD1 4.18Å; A90-L166 HydrophobicContact CB-CD2 4.44Å; I163-L166 HydrophobicContact CB-CB 4.45Å; I163-L166 HydrophobicContact CG2-CB 3.69Å; I163-L166 HydrophobicContact CG2-CD2 4.43Å; I163-L166 PolarHBondContact O-N 3.15Å; P164-L166 VanDerWaalsContact C-N 3.28Å; P164-L166 PolarHBondContact O-N 2.6Å; L166-G170 VanDerWaalsContact CD2-C 3.46Å; L166-R171 HydrophobicContact CB-CG 3.95Å; L166-R171 HydrophobicContact CD2-CG 4.02Å; L166-R171 HydrophobicContact CG-CG 4.07Å; L166-R171 PolarHBondContact O-NE 3.16Å; L166-L174 HydrophobicContact CD2-CB 4.37Å; L166-L174 HydrophobicContact CD2-CD2 4.07Å
167S94.9Very high95Very high59 Ų5952.9 Ų52.941%0.41329%0.29SS..  trans-56.4159.9178.770.40000111.9K169 G170 R171S167-K169 VanDerWaalsContact C-N 3.32Å; S167-K169 PolarHBondContact O-N 3.35Å; S167-G170 WeakPolarHBondContact O-CA 3.35Å; S167-G170 PolarHBondContact O-N 2.82Å; S167-G170 PolarHBondContact OG-N 2.77Å; S167-R171 PolarHBondContact O-N 3.25Å
168S95.2Very high95.4Very high86 Ų8649.7 Ų49.760%0.60128%0.275SS*.Hα-helixtrans-54.7-47177.152.30000112G170 R171 D172S168-G170 VanDerWaalsContact C-N 3.29Å; S168-G170 PolarHBondContact O-N 2.78Å; S168-R171 PolarHBondContact O-N 3.29Å; S168-D172 WeakPolarHBondContact O-CB 3.24Å; S168-D172 PolarHBondContact O-N 3.13Å
169K96.3Very high95.7Very high74 Ų7448.9 Ų48.932%0.32227%0.267SS..Hα-helixtrans-60.1-36.9174.4-63-179.4-178179.90112.5S167 L173 H194 S195 Y196 D199S167-K169 VanDerWaalsContact C-N 3.32Å; S167-K169 PolarHBondContact O-N 3.35Å; K169-L173 PolarHBondContact O-N 2.84Å; K169-H194 PolarHBondContact O-CE1 2.73Å; K169-S195 WeakPolarHBondContact CD-O 2.84Å; K169-Y196 HydrophobicContact CB-CD2 4.12Å; K169-D199 IonicContact NZ-OD2 3.3Å; K169-D199 PolarHBondContact NZ-OD2 2.8Å
170G96.7Very high95.9Very high0 Ų048.7 Ų48.70%027%0.268CS..Hα-helixtrans-70.5-42.4178.200000112.4F86 L166 S167 S168 D172 L173 L174 Y196F86-G170 WeakPolarHBondContact CE1-O 3.32Å; L166-G170 VanDerWaalsContact CD2-C 3.46Å; S167-G170 WeakPolarHBondContact O-CA 3.35Å; S167-G170 PolarHBondContact O-N 2.82Å; S167-G170 PolarHBondContact OG-N 2.77Å; S168-G170 VanDerWaalsContact C-N 3.29Å; S168-G170 PolarHBondContact O-N 2.78Å; G170-D172 VanDerWaalsContact C-N 3.29Å; G170-D172 PolarHBondContact O-N 3.38Å; G170-L173 PolarHBondContact O-N 3.4Å; G170-L174 WeakPolarHBondContact O-CB 3.16Å; G170-L174 PolarHBondContact O-N 3.01Å; G170-Y196 VanDerWaalsContact CA-CE2 3.5Å; G170-Y196 VanDerWaalsContact N-CD2 3.29Å
171R97.2Very high96.1Very high85 Ų8548.7 Ų48.732%0.32126%0.263SS..Hα-helixtrans-63.5-37.3173.6-73.5-175.1-82.2154-6.1111.7L159 L166 S167 S168 L174 Q175L159-R171 HydrophobicContact CB-CG 4.45Å; L166-R171 HydrophobicContact CB-CG 3.95Å; L166-R171 HydrophobicContact CD2-CG 4.02Å; L166-R171 HydrophobicContact CG-CG 4.07Å; L166-R171 PolarHBondContact O-NE 3.16Å; S167-R171 PolarHBondContact O-N 3.25Å; S168-R171 PolarHBondContact O-N 3.29Å; R171-L174 PolarHBondContact O-N 2.9Å; R171-Q175 WeakPolarHBondContact O-CB 3.37Å; R171-Q175 PolarHBondContact O-N 3.14Å
172D97.1Very high96.2Very high59 Ų5943.5 Ų43.532%0.31624%0.24SC..Hα-helixtrans-63.7-45.5174.2179.848.3000112.2S168 G170 L174 Q175 K176 H194S168-D172 WeakPolarHBondContact O-CB 3.24Å; S168-D172 PolarHBondContact O-N 3.13Å; G170-D172 VanDerWaalsContact C-N 3.29Å; G170-D172 PolarHBondContact O-N 3.38Å; D172-L174 VanDerWaalsContact C-N 3.33Å; D172-L174 PolarHBondContact O-N 3.17Å; D172-Q175 PolarHBondContact O-N 2.93Å; D172-K176 WeakPolarHBondContact O-CG 3.36Å; D172-K176 PolarHBondContact O-N 3.29Å; D172-K176 IonicContact OD1-NZ 3.78Å; D172-K176 PolarHBondContact OD1-NZ 3.08Å; D172-K176 IonicContact OD2-NZ 3.02Å; D172-K176 PolarHBondContact OD2-NZ 2.91Å; D172-H194 IonicContact OD2-CE1 2.9Å; D172-H194 PolarHBondContact OD2-CE1 2.87Å; D172-H194 IonicContact OD2-NE2 2.72Å; D172-H194 PolarHBondContact OD2-NE2 2.84Å
173L98.1Very high96.4Very high0 Ų045.5 Ų45.50%026%0.261CS..Hα-helixtrans-58.5-47.3172.1175.158.2000111.1L5 F86 K169 G170 Q175 K176 L177 L186 A191 H194 Y196 F197L5-L173 HydrophobicContact CD1-CD2 4.49Å; F86-L173 HydrophobicContact CE1-CB 4.3Å; F86-L173 HydrophobicContact CE1-CD2 3.91Å; F86-L173 HydrophobicContact CE1-CG 4.16Å; K169-L173 PolarHBondContact O-N 2.84Å; G170-L173 PolarHBondContact O-N 3.4Å; L173-Q175 VanDerWaalsContact C-N 3.31Å; L173-Q175 PolarHBondContact O-N 3.29Å; L173-K176 PolarHBondContact O-N 3.35Å; L173-K176 VanDerWaalsContact O-N 3.15Å; L173-L177 HydrophobicContact CD1-CD1 4.2Å; L173-L177 HydrophobicContact CD1-CG 4.29Å; L173-L177 HydrophobicContact CG-CD1 4.08Å; L173-L177 WeakPolarHBondContact O-CG 3.07Å; L173-L177 PolarHBondContact O-N 3.47Å; L173-L177 VanDerWaalsContact O-N 3.11Å; L173-L186 HydrophobicContact CD1-CD2 3.87Å; L173-A191 HydrophobicContact CD1-CB 4.18Å; L173-H194 HydrophobicContact CD1-CB 3.91Å; L173-H194 PolarHBondContact N-CE1 2.67Å; L173-H194 VanDerWaalsContact N-CE1 3.35Å; L173-Y196 HydrophobicContact CD2-CD1 3.6Å; L173-Y196 HydrophobicContact CD2-CE1 4.39Å; L173-Y196 HydrophobicContact CD2-CG 4.18Å; L173-F197 HydrophobicContact CD2-CE2 3.68Å; L173-F197 HydrophobicContact CD2-CZ 3.78Å
174L97.9Very high96.5Very high0 Ų051 Ų510%029%0.29CS..Hα-helixtrans-61.5-39.4-178.7-177.361.3000112.1G83 F86 A87 L159 I163 L166 G170 R171 D172 K176 L177 L178G83-L174 WeakPolarHBondContact O-CD1 3.3Å; F86-L174 HydrophobicContact CB-CD1 4.35Å; F86-L174 HydrophobicContact CD1-CB 4.14Å; F86-L174 HydrophobicContact CD1-CD1 4.07Å; F86-L174 HydrophobicContact CE1-CB 4.25Å; A87-L174 HydrophobicContact CB-CD1 4.25Å; A87-L174 HydrophobicContact CB-CD2 3.98Å; L159-L174 HydrophobicContact CD1-CD2 4.47Å; L159-L174 HydrophobicContact CD1-CG 4.38Å; L159-L174 HydrophobicContact CD2-CD2 3.82Å; L159-L174 HydrophobicContact CD2-CG 4.32Å; I163-L174 HydrophobicContact CD1-CD2 3.44Å; I163-L174 VanDerWaalsContact CD1-CD2 3.44Å; L166-L174 HydrophobicContact CD2-CB 4.37Å; L166-L174 HydrophobicContact CD2-CD2 4.07Å; G170-L174 WeakPolarHBondContact O-CB 3.16Å; G170-L174 PolarHBondContact O-N 3.01Å; R171-L174 PolarHBondContact O-N 2.9Å; D172-L174 VanDerWaalsContact C-N 3.33Å; D172-L174 PolarHBondContact O-N 3.17Å; L174-K176 VanDerWaalsContact C-N 3.28Å; L174-K176 PolarHBondContact O-N 3.35Å; L174-L177 PolarHBondContact O-N 3.22Å; L174-L178 HydrophobicContact CD1-CD1 3.63Å; L174-L178 HydrophobicContact CD1-CG 3.88Å; L174-L178 HydrophobicContact CD2-CD1 4.5Å; L174-L178 HydrophobicContact CG-CD1 3.91Å; L174-L178 HydrophobicContact CG-CG 4.38Å; L174-L178 WeakPolarHBondContact O-CB 3.32Å; L174-L178 PolarHBondContact O-N 3.4Å
175Q97.2Very high96.6Very high124 Ų12447.3 Ų47.358%0.57926%0.264SS*.Hα-helixtrans-64.1-33.4177-167.416416.100112.4L159 R171 D172 L173 V179L159-Q175 HydrophobicContact CD1-CB 3.77Å; L159-Q175 HydrophobicContact CD1-CG 4.3Å; R171-Q175 WeakPolarHBondContact O-CB 3.37Å; R171-Q175 PolarHBondContact O-N 3.14Å; D172-Q175 PolarHBondContact O-N 2.93Å; L173-Q175 VanDerWaalsContact C-N 3.31Å; L173-Q175 PolarHBondContact O-N 3.29Å; Q175-V179 VanDerWaalsContact O-CG2 3.3Å; Q175-V179 WeakPolarHBondContact O-CG2 3.16Å
176K98Very high96.9Very high73 Ų7343.9 Ų43.932%0.31724%0.241SC..Hα-helixtrans-76.7-23.4175.1-64.2-174.1-178790113.5D172 L173 L174 L186 H194D172-K176 WeakPolarHBondContact O-CG 3.36Å; D172-K176 PolarHBondContact O-N 3.29Å; D172-K176 IonicContact OD1-NZ 3.78Å; D172-K176 PolarHBondContact OD1-NZ 3.08Å; D172-K176 IonicContact OD2-NZ 3.02Å; D172-K176 PolarHBondContact OD2-NZ 2.91Å; L173-K176 PolarHBondContact O-N 3.35Å; L173-K176 VanDerWaalsContact O-N 3.15Å; L174-K176 VanDerWaalsContact C-N 3.28Å; L174-K176 PolarHBondContact O-N 3.35Å; K176-L186 HydrophobicContact CB-CB 4.02Å; K176-L186 HydrophobicContact CB-CD2 3.97Å; K176-L186 HydrophobicContact CB-CG 4.47Å; K176-L186 HydrophobicContact CD-CD1 4.41Å; K176-L186 HydrophobicContact CD-CD2 4.17Å; K176-L186 PolarHBondContact O-N 3.16Å; K176-H194 PolarHBondContact NZ-NE2 2.68Å
177L98.3Very high97Very high0 Ų046.9 Ų46.90%026%0.258CS..Hα-helixtrans-81.9-38173.7-66.8171.8000112M1 M79 F86 L173 L174 V179 L186 A191M1-L177 HydrophobicContact CE-CD1 4.41Å; M79-L177 HydrophobicContact CB-CD2 4.39Å; M79-L177 HydrophobicContact CE-CD2 3.55Å; F86-L177 HydrophobicContact CD1-CD1 4.46Å; L173-L177 HydrophobicContact CD1-CD1 4.2Å; L173-L177 HydrophobicContact CD1-CG 4.29Å; L173-L177 HydrophobicContact CG-CD1 4.08Å; L173-L177 WeakPolarHBondContact O-CG 3.07Å; L173-L177 PolarHBondContact O-N 3.47Å; L173-L177 VanDerWaalsContact O-N 3.11Å; L174-L177 PolarHBondContact O-N 3.22Å; L177-V179 PolarHBondContact O-N 3.48Å; L177-L186 HydrophobicContact CD2-CB 4.37Å; L177-A191 HydrophobicContact CD2-CB 4.47Å
178L97.9Very high97.1Very high4 Ų444.2 Ų44.22%0.02124%0.239CC..SBendtrans-96.164.5-177.8-62.5-177.5000112W80 L96 L113 L174W80-L178 HydrophobicContact CD2-CD2 4.03Å; W80-L178 HydrophobicContact CE3-CD2 4.1Å; W80-L178 HydrophobicContact CH2-CD2 4.44Å; W80-L178 HydrophobicContact CZ2-CD2 4.37Å; W80-L178 HydrophobicContact CZ3-CB 4.4Å; W80-L178 HydrophobicContact CZ3-CD2 4.31Å; L96-L178 HydrophobicContact CD2-CD1 3.46Å; L96-L178 VanDerWaalsContact CD2-CD1 3.46Å; L113-L178 HydrophobicContact CD1-CB 4.42Å; L113-L178 WeakPolarHBondContact CD1-O 3.41Å; L113-L178 HydrophobicContact CD2-CB 4.44Å; L174-L178 HydrophobicContact CD1-CD1 3.63Å; L174-L178 HydrophobicContact CD1-CG 3.88Å; L174-L178 HydrophobicContact CD2-CD1 4.5Å; L174-L178 HydrophobicContact CG-CD1 3.91Å; L174-L178 HydrophobicContact CG-CG 4.38Å; L174-L178 WeakPolarHBondContact O-CB 3.32Å; L174-L178 PolarHBondContact O-N 3.4Å
179V97.1Very high97.2Very high38 Ų3845.7 Ų45.723%0.2324%0.236CC..  trans-107.8130.8174.9-176.90000109.3Q175 L177 N181 L184 R185Q175-V179 VanDerWaalsContact O-CG2 3.3Å; Q175-V179 WeakPolarHBondContact O-CG2 3.16Å; L177-V179 PolarHBondContact O-N 3.48Å; V179-N181 HydrophobicContact CG1-CB 4.48Å; V179-N181 PolarHBondContact O-N 3.07Å; V179-L184 HydrophobicContact CG1-CB 3.91Å; V179-R185 HydrophobicContact CB-CG 3.9Å; V179-R185 WeakPolarHBondContact O-CG 3.37Å; V179-R185 PolarHBondContact O-NE 3.1Å
180C96.9Very high97.3Very high14 Ų1443.2 Ų43.210%0.09523%0.23CC..SBendtrans-59.6-47.1-178.9-71.80000111.9P116 W121 P182 R185P116-C180 HydrophobicContact CB-CB 4.08Å; P116-C180 HydrophobicContact CG-CB 4.17Å; W121-C180 HydrophobicContact CE3-CB 3.86Å; W121-C180 HydrophobicContact CZ3-CB 4.11Å; W121-C180 WeakPolarHBondContact CZ3-O 3.34Å; C180-P182 VanDerWaalsContact O-CD 3.31Å; C180-P182 WeakPolarHBondContact O-CD 3.25Å; C180-R185 PolarHBondContact O-NH2 2.86Å
181N96.5Very high97.3Very high19 Ų1943.2 Ų43.210%0.10223%0.23CC..SBendtrans-70113.7176.3-175.5-14.1000110.8W121 V179 A183 L184W121-N181 HydrophobicContact CB-CB 4.02Å; W121-N181 HydrophobicContact CD2-CB 4.29Å; W121-N181 HydrophobicContact CG-CB 3.84Å; V179-N181 HydrophobicContact CG1-CB 4.48Å; V179-N181 PolarHBondContact O-N 3.07Å; N181-A183 PolarHBondContact O-N 3.43Å; N181-A183 WeakPolarHBondContact OD1-CB 3.37Å; N181-A183 PolarHBondContact OD1-N 2.91Å; N181-L184 HydrophobicContact CB-CB 4.44Å; N181-L184 HydrophobicContact CB-CD1 4.17Å; N181-L184 HydrophobicContact CB-CG 4.25Å; N181-L184 PolarHBondContact O-N 3.35Å; N181-L184 VanDerWaalsContact O-N 3.12Å
182P96Very high97.3Very high22 Ų2241 Ų4114%0.14322%0.224CC..G310 helixtrans-62.4-27.4-177.525-33.8000113.7D65 S76 W121 C180 L184 R185D65-P182 HydrophobicContact CB-CG 4.17Å; S76-P182 WeakPolarHBondContact CB-O 3.17Å; S76-P182 WeakPolarHBondContact OG-CB 2.96Å; W121-P182 HydrophobicContact CZ2-CG 4.39Å; C180-P182 VanDerWaalsContact O-CD 3.31Å; C180-P182 WeakPolarHBondContact O-CD 3.25Å; P182-L184 PolarHBondContact O-N 3.49Å; P182-R185 PolarHBondContact O-N 3.35Å
183A95.6Very high97.3Very high84 Ų8446 Ų4669%0.69424%0.239SC*.G310 helixtrans-71.3-17.8179.300000113.3N181N181-A183 PolarHBondContact O-N 3.43Å; N181-A183 WeakPolarHBondContact OD1-CB 3.37Å; N181-A183 PolarHBondContact OD1-N 2.91Å
184L96.8Very high97.3Very high115 Ų11546.8 Ų46.860%0.60224%0.242SC*.G310 helixtrans-103.7-2.4179.5-59.5-178.9000112.7V179 N181 P182V179-L184 HydrophobicContact CG1-CB 3.91Å; N181-L184 HydrophobicContact CB-CB 4.44Å; N181-L184 HydrophobicContact CB-CD1 4.17Å; N181-L184 HydrophobicContact CB-CG 4.25Å; N181-L184 PolarHBondContact O-N 3.35Å; N181-L184 VanDerWaalsContact O-N 3.12Å; P182-L184 PolarHBondContact O-N 3.49Å
185R97.4Very high97.2Very high18 Ų1849.3 Ų49.37%0.06826%0.26CS..SBendtrans-71.5137.5176.7-70-179.5-153.8144.87.1109.9D65 S76 V179 C180 P182 D187D65-R185 IonicContact OD1-CZ 2.8Å; D65-R185 IonicContact OD1-NH1 2.72Å; D65-R185 PolarHBondContact OD1-NH1 3Å; D65-R185 IonicContact OD1-NH2 2.95Å; D65-R185 PolarHBondContact OD1-NH2 3.35Å; D65-R185 IonicContact OD2-NH1 2.69Å; S76-R185 PolarHBondContact O-NH1 3.02Å; S76-R185 PolarHBondContact OG-NH1 3.25Å; V179-R185 HydrophobicContact CB-CG 3.9Å; V179-R185 WeakPolarHBondContact O-CG 3.37Å; V179-R185 PolarHBondContact O-NE 3.1Å; C180-R185 PolarHBondContact O-NH2 2.86Å; P182-R185 PolarHBondContact O-N 3.35Å; R185-D187 PolarHBondContact O-N 2.93Å
186L97.6Very high97.1Very high35 Ų3546.6 Ų46.618%0.18325%0.245CC..PPolyproline II helixtrans-62.5130.3177.3-159.666.7000110.8M79 L173 K176 L177 A190 A191M79-L186 WeakPolarHBondContact CE-O 3.47Å; M79-L186 WeakPolarHBondContact CG-O 3.21Å; L173-L186 HydrophobicContact CD1-CD2 3.87Å; K176-L186 HydrophobicContact CB-CB 4.02Å; K176-L186 HydrophobicContact CB-CD2 3.97Å; K176-L186 HydrophobicContact CB-CG 4.47Å; K176-L186 HydrophobicContact CD-CD1 4.41Å; K176-L186 HydrophobicContact CD-CD2 4.17Å; K176-L186 PolarHBondContact O-N 3.16Å; L177-L186 HydrophobicContact CD2-CB 4.37Å; L186-A190 HydrophobicContact CD1-CB 3.67Å; L186-A190 HydrophobicContact CG-CB 4.02Å; L186-A191 HydrophobicContact CD2-CB 3.78Å; L186-A191 HydrophobicContact CG-CB 4.18Å
187D97.9Very high97Very high75 Ų7544 Ų4440%0.40123%0.234SC..PPolyproline II helixtrans-75.3165.5172.268.769.1000111.9R185 E189 A190 A191R185-D187 PolarHBondContact O-N 2.93Å; D187-E189 VanDerWaalsContact C-N 3.32Å; D187-E189 PolarHBondContact O-N 2.9Å; D187-E189 WeakPolarHBondContact OD1-CA 3.47Å; D187-E189 WeakPolarHBondContact OD1-CB 3.48Å; D187-E189 PolarHBondContact OD1-N 3.36Å; D187-A190 WeakPolarHBondContact OD1-CB 3.49Å; D187-A190 PolarHBondContact OD1-N 2.81Å; D187-A191 WeakPolarHBondContact O-CB 3.16Å; D187-A191 PolarHBondContact O-N 3.35Å
188A97.8Very high96.7Very high3 Ų347.5 Ų47.53%0.02526%0.263CS..Hα-helixtrans-63.6-35-175.200000113.4L8 A9 M79 A191 L192L8-A188 HydrophobicContact CB-CB 4.13Å; A9-A188 HydrophobicContact CB-CB 3.82Å; M79-A188 HydrophobicContact CE-CB 4.05Å; M79-A188 HydrophobicContact SD-CB 3.76Å; A188-A191 PolarHBondContact O-N 3.2Å; A188-L192 VanDerWaalsContact O-CG 3.32Å; A188-L192 WeakPolarHBondContact O-CG 3.48Å; A188-L192 PolarHBondContact O-N 2.98Å
189E96.8Very high96Very high117 Ų11753.5 Ų53.555%0.54730%0.295SS..Hα-helixtrans-74.5-43.4-177.6-155.6-167.8138.900111.1D187 A191 L192 R193D187-E189 VanDerWaalsContact C-N 3.32Å; D187-E189 PolarHBondContact O-N 2.9Å; D187-E189 WeakPolarHBondContact OD1-CA 3.47Å; D187-E189 WeakPolarHBondContact OD1-CB 3.48Å; D187-E189 PolarHBondContact OD1-N 3.36Å; E189-A191 VanDerWaalsContact C-N 3.33Å; E189-L192 PolarHBondContact O-N 2.8Å; E189-R193 PolarHBondContact O-N 3.15Å; E189-R193 IonicContact OE1-CZ 3Å; E189-R193 IonicContact OE1-NH1 2.72Å; E189-R193 PolarHBondContact OE1-NH1 3.1Å; E189-R193 IonicContact OE1-NH2 3.35Å
190A97.5Very high95.1Very high23 Ų2357 Ų5719%0.1931%0.307CS..Hα-helixtrans-63.4-38.7171.500000111.7L186 D187 L192 R193 H194L186-A190 HydrophobicContact CD1-CB 3.67Å; L186-A190 HydrophobicContact CG-CB 4.02Å; D187-A190 WeakPolarHBondContact OD1-CB 3.49Å; D187-A190 PolarHBondContact OD1-N 2.81Å; A190-L192 VanDerWaalsContact C-N 3.34Å; A190-L192 PolarHBondContact O-N 2.86Å; A190-R193 PolarHBondContact O-N 3.17Å; A190-H194 PolarHBondContact O-N 2.9Å
191A98.1Very high93.5Very high0 Ų064.1 Ų64.10%034%0.339CS..Hα-helixtrans-63.6-37.3176.100000112.7L5 M79 L173 L177 L186 D187 A188 E189 R193 H194 F197L5-A191 HydrophobicContact CD1-CB 3.84Å; L5-A191 HydrophobicContact CD2-CB 3.95Å; L5-A191 HydrophobicContact CG-CB 4.46Å; M79-A191 HydrophobicContact CE-CB 4.27Å; L173-A191 HydrophobicContact CD1-CB 4.18Å; L177-A191 HydrophobicContact CD2-CB 4.47Å; L186-A191 HydrophobicContact CD2-CB 3.78Å; L186-A191 HydrophobicContact CG-CB 4.18Å; D187-A191 WeakPolarHBondContact O-CB 3.16Å; D187-A191 PolarHBondContact O-N 3.35Å; A188-A191 PolarHBondContact O-N 3.2Å; E189-A191 VanDerWaalsContact C-N 3.33Å; A191-R193 VanDerWaalsContact C-N 3.26Å; A191-R193 PolarHBondContact O-N 3.13Å; A191-H194 WeakPolarHBondContact O-CB 3.45Å; A191-H194 PolarHBondContact O-N 3.4Å; A191-H194 VanDerWaalsContact O-N 3.14Å; A191-F197 WeakPolarHBondContact O-CD2 3.23Å; A191-F197 WeakPolarHBondContact O-CE2 3.34Å
192L96.9Very high91.8Very high38 Ų3869.1 Ų69.120%0.19936%0.364CS..Hα-helixtrans-65.4-28.6175.2-75.5165.3000113.1F2 L5 R6 A9 A188 E189 A190 H194F2-L192 HydrophobicContact CD2-CD2 3.92Å; F2-L192 HydrophobicContact CE2-CD2 3.75Å; F2-L192 HydrophobicContact CG-CD2 4.42Å; F2-L192 HydrophobicContact CZ-CD2 4.1Å; L5-L192 HydrophobicContact CB-CD2 3.75Å; L5-L192 HydrophobicContact CB-CG 3.97Å; R6-L192 HydrophobicContact CB-CD2 4.27Å; A9-L192 HydrophobicContact CB-CD1 3.7Å; A188-L192 VanDerWaalsContact O-CG 3.32Å; A188-L192 WeakPolarHBondContact O-CG 3.48Å; A188-L192 PolarHBondContact O-N 2.98Å; E189-L192 PolarHBondContact O-N 2.8Å; A190-L192 VanDerWaalsContact C-N 3.34Å; A190-L192 PolarHBondContact O-N 2.86Å; L192-H194 VanDerWaalsContact C-N 3.28Å
193R96.6Very high89.4Confident163 Ų16377.2 Ų77.262%0.61541%0.414SS*.THydrogen-bonded Turntrans-83.90.5175-68-175.8-74.6-101.5-1.2113.7E189 A190 A191E189-R193 PolarHBondContact O-N 3.15Å; E189-R193 IonicContact OE1-CZ 3Å; E189-R193 IonicContact OE1-NH1 2.72Å; E189-R193 PolarHBondContact OE1-NH1 3.1Å; E189-R193 IonicContact OE1-NH2 3.35Å; A190-R193 PolarHBondContact O-N 3.17Å; A191-R193 VanDerWaalsContact C-N 3.26Å; A191-R193 PolarHBondContact O-N 3.13Å
194H97.8Very high89.1Confident17 Ų1776.9 Ų76.98%0.07940%0.4CS..SBendtrans-65.2144.5-176.9-163.5-90.4000111.7K169 D172 L173 K176 A190 A191 L192 Y196 F197K169-H194 PolarHBondContact O-CE1 2.73Å; D172-H194 IonicContact OD2-CE1 2.9Å; D172-H194 PolarHBondContact OD2-CE1 2.87Å; D172-H194 IonicContact OD2-NE2 2.72Å; D172-H194 PolarHBondContact OD2-NE2 2.84Å; L173-H194 HydrophobicContact CD1-CB 3.91Å; L173-H194 PolarHBondContact N-CE1 2.67Å; L173-H194 VanDerWaalsContact N-CE1 3.35Å; K176-H194 PolarHBondContact NZ-NE2 2.68Å; A190-H194 PolarHBondContact O-N 2.9Å; A191-H194 WeakPolarHBondContact O-CB 3.45Å; A191-H194 PolarHBondContact O-N 3.4Å; A191-H194 VanDerWaalsContact O-N 3.14Å; L192-H194 VanDerWaalsContact C-N 3.28Å; H194-Y196 PolarHBondContact ND1-N 2.87Å; H194-Y196 PolarHBondContact O-N 2.9Å; H194-F197 PolarHBondContact O-N 3.5Å
195S96.3Very high88.7Confident54 Ų5474.9 Ų74.938%0.37839%0.389SS..G310 helixtrans-56.7-20.2-179.263.90000114.2K169 F197 A198K169-S195 WeakPolarHBondContact CD-O 2.84Å; S195-F197 PolarHBondContact O-N 3.13Å; S195-A198 VanDerWaalsContact O-CB 3.27Å; S195-A198 WeakPolarHBondContact O-CB 3.48Å; S195-A198 PolarHBondContact O-N 3.22Å; S195-A198 VanDerWaalsContact O-N 3.11Å
196Y96.2Very high88.2Confident67 Ų6778.1 Ų78.126%0.26341%0.407SS..G310 helixtrans-58.6-29.4172.8-178.9-115.9000112.9F86 K169 G170 L173 H194F86-Y196 HydrophobicContact CE1-CE1 4.38Å; F86-Y196 HydrophobicContact CE2-CE1 4.02Å; F86-Y196 HydrophobicContact CZ-CD1 4.16Å; F86-Y196 AromaticContact CZ-CE1 3.49Å; F86-Y196 HydrophobicContact CZ-CE1 3.49Å; F86-Y196 VanDerWaalsContact CZ-CE1 3.49Å; F86-Y196 HydrophobicContact CZ-CE2 4.33Å; F86-Y196 AromaticContact CZ-CZ 3.59Å; K169-Y196 HydrophobicContact CB-CD2 4.12Å; G170-Y196 VanDerWaalsContact CA-CE2 3.5Å; G170-Y196 VanDerWaalsContact N-CD2 3.29Å; L173-Y196 HydrophobicContact CD2-CD1 3.6Å; L173-Y196 HydrophobicContact CD2-CE1 4.39Å; L173-Y196 HydrophobicContact CD2-CG 4.18Å; H194-Y196 PolarHBondContact ND1-N 2.87Å; H194-Y196 PolarHBondContact O-N 2.9Å
197F95.8Very high87.7Confident19 Ų1980.6 Ų80.68%0.08342%0.42CS..G310 helixtrans-100.65.4177.1-55.4-62.1000113.4M1 F2 L5 L173 A191 H194 S195 D199 F200M1-F197 HydrophobicContact CB-CE1 4.19Å; M1-F197 HydrophobicContact CB-CZ 4.06Å; M1-F197 HydrophobicContact CG-CZ 3.92Å; F2-F197 HydrophobicContact CB-CD1 4.08Å; F2-F197 HydrophobicContact CB-CE1 3.87Å; F2-F197 HydrophobicContact CB-CZ 4.5Å; F2-F197 HydrophobicContact CD2-CB 4.18Å; F2-F197 AromaticContact CD2-CD1 3.82Å; F2-F197 HydrophobicContact CD2-CD1 3.82Å; F2-F197 HydrophobicContact CD2-CD2 4.3Å; F2-F197 HydrophobicContact CD2-CE1 4.27Å; F2-F197 AromaticContact CD2-CG 3.84Å; F2-F197 HydrophobicContact CD2-CG 3.84Å; F2-F197 HydrophobicContact CG-CD1 4.45Å; L5-F197 HydrophobicContact CD1-CE2 3.49Å; L5-F197 VanDerWaalsContact CD1-CE2 3.49Å; L5-F197 HydrophobicContact CD1-CZ 3.65Å; L173-F197 HydrophobicContact CD2-CE2 3.68Å; L173-F197 HydrophobicContact CD2-CZ 3.78Å; A191-F197 WeakPolarHBondContact O-CD2 3.23Å; A191-F197 WeakPolarHBondContact O-CE2 3.34Å; H194-F197 PolarHBondContact O-N 3.5Å; S195-F197 PolarHBondContact O-N 3.13Å; F197-D199 PolarHBondContact O-N 2.91Å; F197-F200 HydrophobicContact CB-CB 4.34Å; F197-F200 VanDerWaalsContact O-CB 3.25Å; F197-F200 WeakPolarHBondContact O-CB 3.31Å; F197-F200 PolarHBondContact O-N 2.88Å
198A91.2Very high87Confident73 Ų7380.9 Ų80.960%0.60342%0.422SS*.THydrogen-bonded Turntrans-61-33.1-17700000112.9S195 F200S195-A198 VanDerWaalsContact O-CB 3.27Å; S195-A198 WeakPolarHBondContact O-CB 3.48Å; S195-A198 PolarHBondContact O-N 3.22Å; S195-A198 VanDerWaalsContact O-N 3.11Å; A198-F200 VanDerWaalsContact C-N 3.3Å
199D84.1Confident86.3Confident130 Ų13086.1 Ų86.170%0.69545%0.448SS*.THydrogen-bonded Turntrans-89.21.5180-51.3-49.8000111.9K169 F197 Q201K169-D199 IonicContact NZ-OD2 3.3Å; K169-D199 PolarHBondContact NZ-OD2 2.8Å; F197-D199 PolarHBondContact O-N 2.91Å; D199-Q201 PolarHBondContact O-N 3.02Å
200F77.9Confident85.6Confident110 Ų11083.9 Ų83.948%0.48244%0.441SS..  trans-88.8105.8-178.1-169-102.5000110.2F2 F197 A198 I202F2-F200 HydrophobicContact CB-CD1 4.46Å; F2-F200 HydrophobicContact CB-CE1 4.16Å; F2-F200 HydrophobicContact CB-CZ 4.45Å; F2-F200 HydrophobicContact CD1-CD1 4.21Å; F2-F200 AromaticContact CD1-CE1 3.67Å; F2-F200 HydrophobicContact CD1-CE1 3.67Å; F2-F200 HydrophobicContact CD1-CZ 4.48Å; F2-F200 AromaticContact CD2-CD1 3.97Å; F2-F200 HydrophobicContact CD2-CD1 3.97Å; F2-F200 HydrophobicContact CD2-CE1 4.24Å; F2-F200 HydrophobicContact CE1-CD1 4.49Å; F2-F200 HydrophobicContact CE1-CE1 4.11Å; F2-F200 HydrophobicContact CE2-CD1 4.25Å; F2-F200 AromaticContact CG-CD1 3.95Å; F2-F200 HydrophobicContact CG-CD1 3.95Å; F2-F200 AromaticContact CG-CE1 3.75Å; F2-F200 HydrophobicContact CG-CE1 3.75Å; F2-F200 HydrophobicContact CG-CZ 4.49Å; F197-F200 HydrophobicContact CB-CB 4.34Å; F197-F200 VanDerWaalsContact O-CB 3.25Å; F197-F200 WeakPolarHBondContact O-CB 3.31Å; F197-F200 PolarHBondContact O-N 2.88Å; A198-F200 VanDerWaalsContact C-N 3.3Å; F200-I202 HydrophobicContact CD1-CG1 4.32Å; F200-I202 HydrophobicContact CE1-CG1 4.36Å
201Q62Low84.6Confident165 Ų16588.6 Ų88.677%0.77146%0.46SS*.  trans-80.8121.2171-69.7-174.1-4.300109.6D199 T203D199-Q201 PolarHBondContact O-N 3.02Å; Q201-T203 PolarHBondContact O-N 3.07Å; Q201-T203 VanDerWaalsContact O-N 3.08Å
202I60.9Low83.5Confident123 Ų12396 Ų9663%0.63150%0.499SS*.  trans-76.293.2168.8-52.3172.8000106.5F2 F200F2-I202 HydrophobicContact CE1-CD1 4Å; F2-I202 HydrophobicContact CE1-CG1 4.17Å; F2-I202 HydrophobicContact CZ-CD1 3.6Å; F2-I202 HydrophobicContact CZ-CG1 4.01Å; F200-I202 HydrophobicContact CD1-CG1 4.32Å; F200-I202 HydrophobicContact CE1-CG1 4.36Å
203T46.6Very low82.3Confident193 Ų193101.3 Ų101.3100%1.18453%0.526SS*.  trans-76.50162.644.70000110.8Q201Q201-T203 PolarHBondContact O-N 3.07Å; Q201-T203 VanDerWaalsContact O-N 3.08Å

Retrieved 203 of 203 residues in 1491 ms (Link to these results)

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