A0A096MV57_PAPAN Loading...

Protein-arginine deiminase

Catalyzes the deimination of arginine residues of proteins.

AlphaFold DB , UniProt , Accession A0A096MV57, Species PAPAN (Papio anubis, Olive baboon), Gene PADI2, Length 665 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
1M48.8Very low88.5Confident242 Ų242104 Ų104100%1.19247%0.472SS*.  0139.10-69179.7-158.700107.8
2L73Confident88.1Confident106 Ų10699.4 Ų99.456%0.55548%0.475SS*.PPolyproline II helixtrans-66.1142.7173.3-63.1167.4000109.1G22 Y24L2-G22 WeakPolarHBondContact CD2-O 3.46Å; L2-Y24 HydrophobicContact CB-CD1 3.74Å; L2-Y24 HydrophobicContact CB-CE1 3.99Å
3R88.1Confident88.1Confident153 Ų15394.7 Ų94.758%0.57746%0.459SS*.EExtended strand (participates in β ladder)trans-81.7127.8178.5-70.3-179.3179169.70.4110T23 Y24 T287R3-T23 HydrophobicContact CB-CG2 4.36Å; R3-T23 CarbonylContact O-C 3.57Å; R3-T23 WeakPolarHBondContact O-CA 3.37Å; R3-T23 VanDerWaalsContact O-CB 3.32Å; R3-T23 WeakPolarHBondContact O-CB 3.43Å; R3-Y24 PolarHBondContact O-N 3.22Å; R3-T287 PolarHBondContact NH1-O 3.26Å
4E93.9Very high88.5Confident108 Ų10899.3 Ų99.351%0.50547%0.469SS..EExtended strand (participates in β ladder)trans-81.3136.4171.9-169.8171.4-123.600110.3Y24 W26E4-Y24 CarbonylContact C-O 3.6Å; E4-Y24 WeakPolarHBondContact CA-O 3.44Å; E4-Y24 HydrophobicContact CB-CD2 4.39Å; E4-Y24 HydrophobicContact CB-CE1 4Å; E4-Y24 HydrophobicContact CB-CE2 3.73Å; E4-Y24 HydrophobicContact CG-CD2 4.06Å; E4-Y24 HydrophobicContact CG-CE2 3.45Å; E4-Y24 VanDerWaalsContact CG-CE2 3.45Å; E4-Y24 VanDerWaalsContact OE1-CE2 3.27Å; E4-Y24 WeakPolarHBondContact OE1-CE2 3.49Å; E4-W26 HydrophobicContact CG-CB 3.93Å
5R95.8Very high89Confident46 Ų4694.3 Ų94.317%0.17445%0.448CS..EExtended strand (participates in β ladder)trans-123.4135.1172.7175.1-178168.2-154.90.1110.3V7 V18 Y24 L25 W26R5-V7 HydrophobicContact CG-CG2 4.37Å; R5-V18 PolarHBondContact NH1-O 2.66Å; R5-Y24 PolarHBondContact N-O 3.42Å; R5-L25 HydrophobicContact CB-CD2 3.93Å; R5-L25 HydrophobicContact CG-CD2 4.21Å; R5-L25 CarbonylContact O-C 3.57Å; R5-L25 WeakPolarHBondContact O-CA 3.34Å; R5-W26 PolarHBondContact O-N 3.49Å
6T97.4Very high89.5Confident77 Ų7795.3 Ų95.347%0.47245%0.452SS..EExtended strand (participates in β ladder)trans-79128.5173.2-64.70000111.5R8 W26T6-R8 HydrophobicContact CG2-CG 4.08Å; T6-W26 WeakPolarHBondContact CA-O 3.37Å; T6-W26 HydrophobicContact CG2-CE3 3.66Å; T6-W26 HydrophobicContact CG2-CZ3 3.63Å
7V97.2Very high89.9Confident12 Ų1290.1 Ų90.17%0.07343%0.428CS..  trans-138.2109.6167.8178.40000108.4R5 V15 A17 L25 W26 T27 L111R5-V7 HydrophobicContact CG-CG2 4.37Å; V7-V15 HydrophobicContact CG1-CG1 4.33Å; V7-A17 HydrophobicContact CG1-CB 4.39Å; V7-L25 HydrophobicContact CB-CD1 4.27Å; V7-L25 HydrophobicContact CG2-CD1 3.99Å; V7-L25 HydrophobicContact CG2-CD2 3.95Å; V7-L25 HydrophobicContact CG2-CG 4.41Å; V7-W26 PolarHBondContact N-O 3.07Å; V7-T27 WeakPolarHBondContact O-CA 3.45Å; V7-T27 VanDerWaalsContact O-CB 3.28Å; V7-T27 WeakPolarHBondContact O-CB 3.41Å; V7-T27 VanDerWaalsContact O-CG2 3.31Å; V7-T27 WeakPolarHBondContact O-CG2 3.49Å; V7-T27 PolarHBondContact O-OG1 3.45Å; V7-L111 HydrophobicContact CG1-CD1 3.79Å
8R97.3Very high90.3Very high130 Ų13085.1 Ų85.149%0.49141%0.405SS..  trans-86.2144.5-178-54.7-173.4-179.5-96.9-3.2110.6T6 D28T6-R8 HydrophobicContact CG2-CG 4.08Å; R8-D28 HydrophobicContact CB-CB 4.28Å; R8-D28 HydrophobicContact CG-CB 4.01Å; R8-D28 IonicContact CZ-OD2 2.71Å; R8-D28 IonicContact NH1-OD2 3.92Å; R8-D28 PolarHBondContact NH1-OD2 3.47Å
9L96.4Very high90.8Very high8 Ų880.6 Ų80.64%0.04238%0.383CS..  trans-68.3152.5163.5-62-169.8000109.5T27 D28 V29 A32 V95 A109 L111L9-T27 HydrophobicContact CD2-CG2 3.93Å; L9-T27 HydrophobicContact CG-CG2 3.82Å; L9-D28 PolarHBondContact N-O 2.91Å; L9-V29 HydrophobicContact CD1-CB 4.22Å; L9-V29 HydrophobicContact CD1-CG1 3.74Å; L9-V29 HydrophobicContact CG-CG1 4.34Å; L9-A32 HydrophobicContact CB-CB 3.51Å; L9-V95 HydrophobicContact CD1-CB 3.91Å; L9-V95 HydrophobicContact CD1-CG2 3.64Å; L9-A109 HydrophobicContact CB-CB 4.17Å; L9-A109 HydrophobicContact CD1-CB 3.88Å; L9-L111 HydrophobicContact CD2-CB 3.75Å
10Q94.2Very high91.1Very high115 Ų11576.7 Ų76.754%0.53737%0.365SS..  trans-110.2136.8179.2-171.4177.1-13.100110.1G12 S13 V15Q10-G12 PolarHBondContact O-N 2.9Å; Q10-S13 VanDerWaalsContact CB-OG 3.32Å; Q10-S13 WeakPolarHBondContact CB-OG 3.2Å; Q10-S13 WeakPolarHBondContact CG-OG 3.42Å; Q10-S13 PolarHBondContact NE2-OG 3.5Å; Q10-S13 PolarHBondContact O-N 3.42Å; Q10-S13 PolarHBondContact OE1-OG 3Å; Q10-V15 HydrophobicContact CB-CG2 3.67Å
11Y91.4Very high91.4Very high147 Ų14774.7 Ų74.758%0.57636%0.356SS*.THydrogen-bonded Turntrans-60.2124.8-180175.2-108.4000111.6S13 P34Y11-S13 PolarHBondContact O-N 3.21Å; Y11-S13 VanDerWaalsContact O-N 3.12Å; Y11-P34 HydrophobicContact CE2-CB 3.93Å
12G83.4Confident93.5Very high49 Ų4965.5 Ų65.551%0.50532%0.323SS..THydrogen-bonded Turntrans658.817600000116Q10Q10-G12 PolarHBondContact O-N 2.9Å
13S88.6Confident94.6Very high38 Ų3861.1 Ų61.127%0.26630%0.301SS..SBendtrans-137.2164.6-179.370.10000112.7Q10 Y11Q10-S13 VanDerWaalsContact CB-OG 3.32Å; Q10-S13 WeakPolarHBondContact CB-OG 3.2Å; Q10-S13 WeakPolarHBondContact CG-OG 3.42Å; Q10-S13 PolarHBondContact NE2-OG 3.5Å; Q10-S13 PolarHBondContact O-N 3.42Å; Q10-S13 PolarHBondContact OE1-OG 3Å; Y11-S13 PolarHBondContact O-N 3.21Å; Y11-S13 VanDerWaalsContact O-N 3.12Å
14R93.9Very high94.9Very high159 Ų15956.3 Ų56.360%0.628%0.283SS*.EExtended strand (participates in β ladder)trans-90.1144.6170.671.3-179.9-168.3-137.53.1110.3E16 G110 F112R14-E16 IonicContact CZ-OE1 3.33Å; R14-E16 IonicContact NE-OE1 2.87Å; R14-E16 PolarHBondContact NE-OE1 3.02Å; R14-E16 IonicContact NH2-OE1 2.95Å; R14-E16 PolarHBondContact NH2-OE1 3.1Å; R14-G110 WeakPolarHBondContact CA-O 3.48Å; R14-F112 HydrophobicContact CB-CD2 4Å; R14-F112 HydrophobicContact CB-CE2 3.81Å; R14-F112 HydrophobicContact CG-CD2 4.45Å; R14-F112 HydrophobicContact CG-CE2 4.37Å
15V96.1Very high95.1Very high25 Ų2551.1 Ų51.115%0.15226%0.259CS..EExtended strand (participates in β ladder)trans-105.5130.5172.1-179.60000108.1V7 Q10 G110 L111 F112V7-V15 HydrophobicContact CG1-CG1 4.33Å; Q10-V15 HydrophobicContact CB-CG2 3.67Å; V15-G110 PolarHBondContact N-O 3.33Å; V15-L111 HydrophobicContact CB-CD1 4.12Å; V15-L111 HydrophobicContact CG1-CD1 3.99Å; V15-L111 CarbonylContact O-C 3.58Å; V15-L111 WeakPolarHBondContact O-CA 3.48Å; V15-F112 PolarHBondContact O-N 3.17Å
16E96.4Very high95.2Very high109 Ų10952 Ų5251%0.50926%0.262SS..EExtended strand (participates in β ladder)trans-109126.5172.3-64.6178.3-157.500107.4R14 F112R14-E16 IonicContact CZ-OE1 3.33Å; R14-E16 IonicContact NE-OE1 2.87Å; R14-E16 PolarHBondContact NE-OE1 3.02Å; R14-E16 IonicContact NH2-OE1 2.95Å; R14-E16 PolarHBondContact NH2-OE1 3.1Å; E16-F112 WeakPolarHBondContact CA-O 3.37Å; E16-F112 HydrophobicContact CG-CB 4.08Å
17A96.8Very high95.2Very high7 Ų748.4 Ų48.46%0.05824%0.24CC..EExtended strand (participates in β ladder)trans-143.3142-175.500000112.3V7 L111 F112 L113 T114V7-A17 HydrophobicContact CG1-CB 4.39Å; A17-L111 HydrophobicContact CB-CD1 4.23Å; A17-F112 PolarHBondContact N-O 2.71Å; A17-L113 HydrophobicContact CB-CD2 4.26Å; A17-L113 WeakPolarHBondContact O-CA 3.5Å; A17-T114 PolarHBondContact O-N 2.67Å
18V97.6Very high95.2Very high0 Ų048.2 Ų48.20%024%0.239CC..EExtended strand (participates in β ladder)trans-79.2132.8169.2177.30000109.9R5 T114 I116 P195 Y198 L272R5-V18 PolarHBondContact NH1-O 2.66Å; V18-T114 CarbonylContact C-O 3.5Å; V18-T114 WeakPolarHBondContact CA-O 3.45Å; V18-I116 HydrophobicContact CG1-CD1 3.55Å; V18-I116 HydrophobicContact CG1-CG1 3.67Å; V18-P195 HydrophobicContact CG2-CB 4.41Å; V18-P195 HydrophobicContact CG2-CG 3.71Å; V18-Y198 HydrophobicContact CB-CD1 4.16Å; V18-Y198 HydrophobicContact CB-CE1 3.78Å; V18-Y198 HydrophobicContact CG2-CD1 3.65Å; V18-Y198 HydrophobicContact CG2-CD2 3.89Å; V18-Y198 HydrophobicContact CG2-CE1 3.58Å; V18-Y198 HydrophobicContact CG2-CE2 3.87Å; V18-Y198 HydrophobicContact CG2-CG 3.79Å; V18-L272 HydrophobicContact CB-CD2 3.97Å; V18-L272 HydrophobicContact CG1-CD2 3.54Å
19Y98.1Very high95.2Very high0 Ų042.1 Ų42.10%022%0.216CC..EExtended strand (participates in β ladder)trans-105125.1173.2-177.3-73.8000109.2L21 T23 L25 T80 M81 T114 A115 I116Y19-L21 HydrophobicContact CD1-CD2 4.26Å; Y19-L21 HydrophobicContact CE1-CD2 4.11Å; Y19-T23 VanDerWaalsContact CZ-O 3.32Å; Y19-T23 PolarHBondContact OH-O 2.78Å; Y19-L25 HydrophobicContact CD2-CD1 3.91Å; Y19-L25 HydrophobicContact CD2-CD2 4.09Å; Y19-L25 HydrophobicContact CD2-CG 3.75Å; Y19-L25 HydrophobicContact CE2-CD1 4.46Å; Y19-L25 HydrophobicContact CE2-CD2 4.35Å; Y19-L25 HydrophobicContact CE2-CG 3.88Å; Y19-T80 WeakPolarHBondContact OH-CA 3.29Å; Y19-M81 HydrophobicContact CD1-CB 3.95Å; Y19-M81 HydrophobicContact CD1-CG 4.47Å; Y19-M81 HydrophobicContact CD2-CG 4.31Å; Y19-M81 HydrophobicContact CD2-SD 4.36Å; Y19-M81 HydrophobicContact CE1-CB 3.76Å; Y19-M81 HydrophobicContact CE2-CB 4.34Å; Y19-M81 HydrophobicContact CE2-CG 4.31Å; Y19-M81 HydrophobicContact CG-CB 4.36Å; Y19-M81 HydrophobicContact CG-CG 4.39Å; Y19-M81 HydrophobicContact CG-SD 4.14Å; Y19-M81 VanDerWaalsContact CZ-N 3.31Å; Y19-M81 PolarHBondContact OH-N 2.76Å; Y19-T114 PolarHBondContact N-O 3.5Å; Y19-A115 HydrophobicContact CD1-CB 4.35Å; Y19-A115 CarbonylContact O-C 3.51Å; Y19-A115 VanDerWaalsContact O-CA 3.24Å; Y19-A115 WeakPolarHBondContact O-CA 3.17Å; Y19-I116 PolarHBondContact O-N 3.07Å
20V97.8Very high95.1Very high2 Ų246.9 Ų46.91%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-97.8125.7175.9-175.60000109.9T23 I116 I118 L272 F286V20-T23 WeakPolarHBondContact O-CB 3.35Å; V20-T23 PolarHBondContact O-N 3.09Å; V20-T23 PolarHBondContact O-OG1 3.5Å; V20-I116 CarbonylContact C-O 3.44Å; V20-I116 WeakPolarHBondContact CA-O 3.47Å; V20-I116 HydrophobicContact CG2-CG1 4.3Å; V20-I118 HydrophobicContact CG1-CB 4.35Å; V20-I118 HydrophobicContact CG2-CD1 4.4Å; V20-L272 HydrophobicContact CG2-CD2 4.01Å; V20-F286 HydrophobicContact CB-CB 4.33Å; V20-F286 HydrophobicContact CB-CD2 3.94Å; V20-F286 HydrophobicContact CB-CE2 4.38Å; V20-F286 HydrophobicContact CB-CG 4.03Å; V20-F286 HydrophobicContact CG1-CD1 3.94Å; V20-F286 HydrophobicContact CG1-CD2 3.74Å; V20-F286 HydrophobicContact CG1-CE1 3.94Å; V20-F286 HydrophobicContact CG1-CE2 3.75Å; V20-F286 HydrophobicContact CG1-CG 3.83Å; V20-F286 HydrophobicContact CG1-CZ 3.84Å; V20-F286 HydrophobicContact CG2-CB 3.75Å; V20-F286 HydrophobicContact CG2-CD1 4.35Å; V20-F286 HydrophobicContact CG2-CD2 4.29Å; V20-F286 HydrophobicContact CG2-CG 3.89Å
21L96.7Very high95.2Very high36 Ų3644.7 Ų44.719%0.18823%0.232CC..THydrogen-bonded Turntrans-57.4145.1179.1-62.5-174.5000111.6Y19 T23 M81 A84 A115 I116 E117Y19-L21 HydrophobicContact CD1-CD2 4.26Å; Y19-L21 HydrophobicContact CE1-CD2 4.11Å; L21-T23 VanDerWaalsContact C-N 3.28Å; L21-M81 WeakPolarHBondContact CD2-O 3.31Å; L21-A84 HydrophobicContact CD1-CB 4.38Å; L21-A115 HydrophobicContact CD2-CB 4.38Å; L21-I116 PolarHBondContact N-O 3.43Å; L21-E117 HydrophobicContact CD1-CB 4.05Å; L21-E117 HydrophobicContact CD1-CG 4.41Å
22G92.5Very high95.4Very high48 Ų4837.7 Ų37.750%0.49520%0.204SC..THydrogen-bonded Turntrans84.7-2.8-172.300000114.4L2L2-G22 WeakPolarHBondContact CD2-O 3.46Å
23T96.3Very high96Very high14 Ų1436.3 Ų36.39%0.08619%0.188CC..EExtended strand (participates in β ladder)trans-105176.4164.973.40000110.6R3 Y19 V20 L21 F286R3-T23 HydrophobicContact CB-CG2 4.36Å; R3-T23 CarbonylContact O-C 3.57Å; R3-T23 WeakPolarHBondContact O-CA 3.37Å; R3-T23 VanDerWaalsContact O-CB 3.32Å; R3-T23 WeakPolarHBondContact O-CB 3.43Å; Y19-T23 VanDerWaalsContact CZ-O 3.32Å; Y19-T23 PolarHBondContact OH-O 2.78Å; V20-T23 WeakPolarHBondContact O-CB 3.35Å; V20-T23 PolarHBondContact O-N 3.09Å; V20-T23 PolarHBondContact O-OG1 3.5Å; L21-T23 VanDerWaalsContact C-N 3.28Å; T23-F286 HydrophobicContact CG2-CD2 4.11Å; T23-F286 HydrophobicContact CG2-CE2 4.22Å
24Y96.1Very high96.2Very high52 Ų5235.4 Ų35.420%0.20418%0.181CC..EExtended strand (participates in β ladder)trans-143.9159.9162.465.9-86.1000109.8L2 R3 E4 R5 R78L2-Y24 HydrophobicContact CB-CD1 3.74Å; L2-Y24 HydrophobicContact CB-CE1 3.99Å; R3-Y24 PolarHBondContact O-N 3.22Å; E4-Y24 CarbonylContact C-O 3.6Å; E4-Y24 WeakPolarHBondContact CA-O 3.44Å; E4-Y24 HydrophobicContact CB-CD2 4.39Å; E4-Y24 HydrophobicContact CB-CE1 4Å; E4-Y24 HydrophobicContact CB-CE2 3.73Å; E4-Y24 HydrophobicContact CG-CD2 4.06Å; E4-Y24 HydrophobicContact CG-CE2 3.45Å; E4-Y24 VanDerWaalsContact CG-CE2 3.45Å; E4-Y24 VanDerWaalsContact OE1-CE2 3.27Å; E4-Y24 WeakPolarHBondContact OE1-CE2 3.49Å; R5-Y24 PolarHBondContact N-O 3.42Å; Y24-R78 HydrophobicContact CD2-CG 3.73Å; Y24-R78 HydrophobicContact CE2-CG 4.15Å
25L97.8Very high96.2Very high0 Ų032.9 Ų32.90%019%0.194CC..EExtended strand (participates in β ladder)trans-103.2137.4-178-45.8-179.3000111.6R5 V7 Y19 R78 V79 L111 L113R5-L25 HydrophobicContact CB-CD2 3.93Å; R5-L25 HydrophobicContact CG-CD2 4.21Å; R5-L25 CarbonylContact O-C 3.57Å; R5-L25 WeakPolarHBondContact O-CA 3.34Å; V7-L25 HydrophobicContact CB-CD1 4.27Å; V7-L25 HydrophobicContact CG2-CD1 3.99Å; V7-L25 HydrophobicContact CG2-CD2 3.95Å; V7-L25 HydrophobicContact CG2-CG 4.41Å; Y19-L25 HydrophobicContact CD2-CD1 3.91Å; Y19-L25 HydrophobicContact CD2-CD2 4.09Å; Y19-L25 HydrophobicContact CD2-CG 3.75Å; Y19-L25 HydrophobicContact CE2-CD1 4.46Å; Y19-L25 HydrophobicContact CE2-CD2 4.35Å; Y19-L25 HydrophobicContact CE2-CG 3.88Å; L25-R78 CarbonylContact O-C 3.55Å; L25-R78 WeakPolarHBondContact O-CA 3.43Å; L25-V79 HydrophobicContact CB-CB 4.16Å; L25-V79 PolarHBondContact N-O 2.92Å; L25-V79 PolarHBondContact O-N 3.01Å; L25-L111 HydrophobicContact CD1-CD2 4.38Å; L25-L113 HydrophobicContact CD1-CD2 3.89Å
26W97.2Very high95.9Very high64 Ų6434.6 Ų34.624%0.24222%0.217CC..EExtended strand (participates in β ladder)trans-97.1123.5157.8173.485.4000108.7E4 R5 T6 V7 D28 T76E4-W26 HydrophobicContact CG-CB 3.93Å; R5-W26 PolarHBondContact O-N 3.49Å; T6-W26 WeakPolarHBondContact CA-O 3.37Å; T6-W26 HydrophobicContact CG2-CE3 3.66Å; T6-W26 HydrophobicContact CG2-CZ3 3.63Å; V7-W26 PolarHBondContact N-O 3.07Å; W26-D28 HydrophobicContact CH2-CB 3.95Å; W26-D28 HydrophobicContact CZ2-CB 4.49Å; W26-D28 HydrophobicContact CZ3-CB 4.19Å; W26-T76 HydrophobicContact CZ2-CG2 3.67Å; W26-T76 PolarHBondContact NE1-OG1 3.15Å
27T98Very high95.8Very high1 Ų130.2 Ų30.21%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-123.6113.3-173-67.30000111.9V7 L9 V29 L77V7-T27 WeakPolarHBondContact O-CA 3.45Å; V7-T27 VanDerWaalsContact O-CB 3.28Å; V7-T27 WeakPolarHBondContact O-CB 3.41Å; V7-T27 VanDerWaalsContact O-CG2 3.31Å; V7-T27 WeakPolarHBondContact O-CG2 3.49Å; V7-T27 PolarHBondContact O-OG1 3.45Å; L9-T27 HydrophobicContact CD2-CG2 3.93Å; L9-T27 HydrophobicContact CG-CG2 3.82Å; T27-V29 HydrophobicContact CG2-CG1 4.43Å; T27-V29 PolarHBondContact O-N 3.16Å; T27-L77 PolarHBondContact N-O 3.21Å; T27-L77 PolarHBondContact O-N 2.8Å
28D96.7Very high95.7Very high8 Ų834.4 Ų34.44%0.04322%0.218CC..  trans-73.3119.2170.7174.514.6000110.3R8 L9 W26 Y30 S31R8-D28 HydrophobicContact CB-CB 4.28Å; R8-D28 HydrophobicContact CG-CB 4.01Å; R8-D28 IonicContact CZ-OD2 2.71Å; R8-D28 IonicContact NH1-OD2 3.92Å; R8-D28 PolarHBondContact NH1-OD2 3.47Å; L9-D28 PolarHBondContact N-O 2.91Å; W26-D28 HydrophobicContact CH2-CB 3.95Å; W26-D28 HydrophobicContact CZ2-CB 4.49Å; W26-D28 HydrophobicContact CZ3-CB 4.19Å; D28-Y30 WeakPolarHBondContact OD1-CB 3.31Å; D28-Y30 PolarHBondContact OD1-N 3.3Å; D28-S31 PolarHBondContact OD1-N 3.27Å; D28-S31 VanDerWaalsContact OD2-CB 3.3Å; D28-S31 WeakPolarHBondContact OD2-CB 3.41Å; D28-S31 PolarHBondContact OD2-OG 3.33Å
29V96.4Very high95.6Very high2 Ų235.7 Ų35.71%0.01223%0.226CC..  trans-102.9-17.2174.8-58.30000112.3L9 T27 A32 F40 L77 V95 Y97L9-V29 HydrophobicContact CD1-CB 4.22Å; L9-V29 HydrophobicContact CD1-CG1 3.74Å; L9-V29 HydrophobicContact CG-CG1 4.34Å; T27-V29 HydrophobicContact CG2-CG1 4.43Å; T27-V29 PolarHBondContact O-N 3.16Å; V29-A32 PolarHBondContact O-N 3.12Å; V29-F40 HydrophobicContact CG2-CD1 4.36Å; V29-F40 HydrophobicContact CG2-CE1 4.05Å; V29-F40 HydrophobicContact CG2-CE2 4.3Å; V29-F40 HydrophobicContact CG2-CZ 4.02Å; V29-L77 HydrophobicContact CG1-CD1 3.55Å; V29-L77 HydrophobicContact CG1-CG 3.6Å; V29-V95 HydrophobicContact CG1-CG2 4.14Å; V29-Y97 PolarHBondContact O-OH 3.41Å
30Y96.2Very high95.6Very high109 Ų10935.7 Ų35.743%0.42723%0.226SC..G310 helixtrans-66.5-45.5-176.4176.1-93.1000110.9D28 A32 A33 V71 P73D28-Y30 WeakPolarHBondContact OD1-CB 3.31Å; D28-Y30 PolarHBondContact OD1-N 3.3Å; Y30-A32 PolarHBondContact O-N 3.33Å; Y30-A32 VanDerWaalsContact O-N 3.17Å; Y30-A33 WeakPolarHBondContact O-CB 3.23Å; Y30-A33 PolarHBondContact O-N 3.35Å; Y30-A33 VanDerWaalsContact O-N 3.09Å; Y30-V71 HydrophobicContact CD2-CG1 3.46Å; Y30-V71 VanDerWaalsContact CD2-CG1 3.46Å; Y30-V71 HydrophobicContact CE2-CG1 3.93Å; Y30-V71 HydrophobicContact CG-CG1 4.41Å; Y30-P73 HydrophobicContact CD1-CG 4.19Å; Y30-P73 HydrophobicContact CD2-CG 4.06Å; Y30-P73 HydrophobicContact CE1-CG 4.03Å; Y30-P73 HydrophobicContact CE2-CG 3.9Å; Y30-P73 HydrophobicContact CG-CG 4.21Å
31S94.8Very high95.5Very high69 Ų6935.8 Ų35.848%0.48323%0.226SC..G310 helixtrans-65.6-20.2-176.6-60.90000114.4D28D28-S31 PolarHBondContact OD1-N 3.27Å; D28-S31 VanDerWaalsContact OD2-CB 3.3Å; D28-S31 WeakPolarHBondContact OD2-CB 3.41Å; D28-S31 PolarHBondContact OD2-OG 3.33Å
32A95.9Very high95.5Very high0 Ų034.1 Ų34.10%022%0.218CC..G310 helixtrans-95-2.6178.400000113.3L9 V29 Y30 Y97 A109L9-A32 HydrophobicContact CB-CB 3.51Å; V29-A32 PolarHBondContact O-N 3.12Å; Y30-A32 PolarHBondContact O-N 3.33Å; Y30-A32 VanDerWaalsContact O-N 3.17Å; A32-Y97 WeakPolarHBondContact O-CE2 3.42Å; A32-A109 HydrophobicContact CB-CB 4.03Å
33A95.6Very high95.7Very high20 Ų2036 Ų3617%0.16521%0.212CC..SBendtrans-74.3135.817900000110.8Y30 A37 V71 Y97Y30-A33 WeakPolarHBondContact O-CB 3.23Å; Y30-A33 PolarHBondContact O-N 3.35Å; Y30-A33 VanDerWaalsContact O-N 3.09Å; A33-A37 HydrophobicContact CB-CB 4.13Å; A33-V71 HydrophobicContact CB-CG1 3.95Å; A33-Y97 HydrophobicContact CB-CD1 3.72Å; A33-Y97 HydrophobicContact CB-CE1 3.67Å; A33-Y97 HydrophobicContact CB-CG 4.32Å
34P94.4Very high95.7Very high19 Ų1936.4 Ų36.412%0.12321%0.213CC..PPolyproline II helixtrans-64.8150.4172.427.7-34.1000111.1Y11 G36 A37 I106 D107Y11-P34 HydrophobicContact CE2-CB 3.93Å; P34-G36 PolarHBondContact O-N 3.23Å; P34-A37 HydrophobicContact CG-CB 4.12Å; P34-A37 VanDerWaalsContact O-CB 3.26Å; P34-A37 WeakPolarHBondContact O-CB 2.96Å; P34-A37 PolarHBondContact O-N 2.65Å; P34-I106 HydrophobicContact CG-CD1 3.67Å; P34-I106 HydrophobicContact CG-CG1 3.94Å; P34-D107 HydrophobicContact CB-CB 4.46Å; P34-D107 HydrophobicContact CG-CB 3.74Å
35A93Very high95.7Very high106 Ų10635 Ų3588%0.87621%0.211SC*.THydrogen-bonded Turntrans-55.7127.5176.700000110.4
36G90.6Very high95.4Very high61 Ų6143.5 Ų43.563%0.62925%0.251SS*.THydrogen-bonded Turntrans90.8-2.4-177.200000115.3P34 Q38P34-G36 PolarHBondContact O-N 3.23Å; G36-Q38 PolarHBondContact O-N 3.41Å
37A93.8Very high95.2Very high17 Ų1744.7 Ų44.714%0.1426%0.255CS..  trans-64.8131.917000000111.3A33 P34 I106A33-A37 HydrophobicContact CB-CB 4.13Å; P34-A37 HydrophobicContact CG-CB 4.12Å; P34-A37 VanDerWaalsContact O-CB 3.26Å; P34-A37 WeakPolarHBondContact O-CB 2.96Å; P34-A37 PolarHBondContact O-N 2.65Å; A37-I106 HydrophobicContact CB-CD1 4.16Å
38Q94.7Very high95.1Very high95 Ų9544.7 Ų44.744%0.44426%0.255SS..  trans-102.5-38.8179.5-71.2-70.4-8.900112.1G36 V71 Y98 E100G36-Q38 PolarHBondContact O-N 3.41Å; Q38-V71 PolarHBondContact O-N 2.91Å; Q38-Y98 PolarHBondContact N-O 3Å; Q38-E100 HydrophobicContact CG-CB 4.32Å
39T96.3Very high95.2Very high27 Ų2751.2 Ų51.217%0.16628%0.279CS..EExtended strand (participates in β ladder)trans-134.4159.3-176.161.80000112.2W69 L70 Y98T39-W69 CarbonylContact C-O 3.59Å; T39-W69 WeakPolarHBondContact CA-O 3.47Å; T39-W69 WeakPolarHBondContact CB-O 3.43Å; T39-L70 HydrophobicContact CG2-CD2 4.08Å; T39-Y98 PolarHBondContact N-O 3.26Å; T39-Y98 PolarHBondContact O-N 2.87Å
40F96.3Very high95.2Very high0 Ų051.1 Ų51.10%028%0.278CS..EExtended strand (participates in β ladder)trans-130.7152.8170.974.5-85.4000111.2V29 L42 V52 R68 W69 V71 T75 L77 V95 N96 Y97V29-F40 HydrophobicContact CG2-CD1 4.36Å; V29-F40 HydrophobicContact CG2-CE1 4.05Å; V29-F40 HydrophobicContact CG2-CE2 4.3Å; V29-F40 HydrophobicContact CG2-CZ 4.02Å; F40-L42 HydrophobicContact CE2-CD2 4.43Å; F40-V52 HydrophobicContact CZ-CG1 4.45Å; F40-R68 CarbonylContact O-C 3.57Å; F40-R68 WeakPolarHBondContact O-CA 3.28Å; F40-W69 HydrophobicContact CD1-CB 4.38Å; F40-W69 WeakPolarHBondContact CD1-O 3.31Å; F40-W69 HydrophobicContact CD2-CE3 4.39Å; F40-W69 HydrophobicContact CE1-CB 3.75Å; F40-W69 AromaticContact CE2-CE3 3.93Å; F40-W69 HydrophobicContact CE2-CE3 3.93Å; F40-W69 HydrophobicContact CZ-CB 3.87Å; F40-W69 HydrophobicContact CZ-CE3 4.27Å; F40-W69 HydrophobicContact CZ-CG 4.45Å; F40-W69 PolarHBondContact N-O 3.3Å; F40-W69 PolarHBondContact O-N 2.96Å; F40-V71 HydrophobicContact CB-CG2 4.23Å; F40-V71 HydrophobicContact CD1-CG2 3.95Å; F40-T75 HydrophobicContact CE1-CG2 3.75Å; F40-T75 HydrophobicContact CZ-CG2 3.8Å; F40-L77 HydrophobicContact CE2-CD2 4.24Å; F40-V95 HydrophobicContact CB-CG1 3.87Å; F40-V95 HydrophobicContact CD2-CG1 3.82Å; F40-V95 HydrophobicContact CG-CG1 4.18Å; F40-N96 CarbonylContact C-O 3.56Å; F40-N96 WeakPolarHBondContact CA-O 3.24Å; F40-Y97 HydrophobicContact CB-CD1 3.75Å; F40-Y97 HydrophobicContact CB-CE1 3.95Å
41S96Very high95.3Very high3 Ų347.9 Ų47.92%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-122.3162.5165.272.40000109.3Q67 V95 N96 Y98S41-Q67 WeakPolarHBondContact CA-O 3.37Å; S41-Q67 WeakPolarHBondContact CB-O 3.46Å; S41-V95 CarbonylContact O-C 3.51Å; S41-V95 WeakPolarHBondContact O-CA 3.32Å; S41-N96 PolarHBondContact N-O 3.15Å; S41-N96 PolarHBondContact O-N 3.34Å; S41-Y98 WeakPolarHBondContact OG-CE2 3.5Å; S41-Y98 PolarHBondContact OG-OH 2.77Å
42L96.6Very high95.4Very high1 Ų144.6 Ų44.61%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-133.9153.5177.772.887.7000112.6F40 V50 V52 V61 W69 L77 T94 V95F40-L42 HydrophobicContact CE2-CD2 4.43Å; L42-V50 HydrophobicContact CD1-CB 4.26Å; L42-V50 HydrophobicContact CD1-CG1 4.02Å; L42-V50 HydrophobicContact CD2-CG1 3.86Å; L42-V52 HydrophobicContact CD2-CG2 3.68Å; L42-V61 HydrophobicContact CD1-CB 4.07Å; L42-V61 HydrophobicContact CD1-CG1 3.66Å; L42-V61 HydrophobicContact CD2-CG2 4.3Å; L42-V61 HydrophobicContact CG-CG1 4.04Å; L42-W69 HydrophobicContact CD2-CZ3 4.18Å; L42-W69 HydrophobicContact CG-CZ3 4.19Å; L42-L77 HydrophobicContact CD2-CD1 4.18Å; L42-L77 HydrophobicContact CD2-CD2 3.47Å; L42-L77 VanDerWaalsContact CD2-CD2 3.47Å; L42-L77 HydrophobicContact CD2-CG 4.48Å; L42-T94 CarbonylContact C-O 3.58Å; L42-T94 VanDerWaalsContact CA-O 3.25Å; L42-T94 WeakPolarHBondContact CA-O 3.4Å; L42-V95 HydrophobicContact CB-CG2 4.21Å
43K96.4Very high95.4Very high88 Ų8845.6 Ų45.638%0.38325%0.25SS..EExtended strand (participates in β ladder)trans-129.9149.5167.8-60-175.6-178.7-160.10108.6T63 N64 V93 T94K43-T63 CarbonylContact C-O 3.56Å; K43-T63 VanDerWaalsContact CA-O 3.29Å; K43-T63 WeakPolarHBondContact CA-O 3.16Å; K43-N64 VanDerWaalsContact CD-OD1 3.24Å; K43-N64 WeakPolarHBondContact CD-OD1 3.11Å; K43-N64 WeakPolarHBondContact CE-OD1 3.29Å; K43-N64 PolarHBondContact NZ-OD1 3.43Å; K43-V93 CarbonylContact O-C 3.55Å; K43-V93 WeakPolarHBondContact O-CA 3.43Å; K43-T94 PolarHBondContact N-O 3.3Å; K43-T94 PolarHBondContact O-N 3.14Å
44H96.8Very high95.4Very high22 Ų2249.9 Ų49.910%0.10226%0.262CS..EExtended strand (participates in β ladder)trans-145.5158.517562.688.3000111.4V48 V50 V61 T63 K92 V93H44-V48 HydrophobicContact CB-CB 4.48Å; H44-V48 PolarHBondContact CE1-O 2.84Å; H44-V48 PolarHBondContact ND1-O 3.4Å; H44-V50 HydrophobicContact CB-CG2 3.69Å; H44-V61 PolarHBondContact NE2-O 3.05Å; H44-T63 PolarHBondContact N-O 3.32Å; H44-T63 WeakPolarHBondContact NE2-CA 3.44Å; H44-T63 PolarHBondContact NE2-N 3.47Å; H44-T63 WeakPolarHBondContact O-CB 3.45Å; H44-K92 CarbonylContact C-O 3.58Å; H44-K92 VanDerWaalsContact CA-O 3.23Å; H44-K92 WeakPolarHBondContact CA-O 3.3Å; H44-V93 HydrophobicContact CB-CG2 4.11Å
45S95.5Very high95.3Very high23 Ų2355.3 Ų55.316%0.16129%0.29CS..  trans-71161.3174.363.50000111.5R47 V48 S90 D91 K92S45-R47 PolarHBondContact O-N 3.23Å; S45-V48 PolarHBondContact O-N 2.99Å; S45-V48 VanDerWaalsContact O-O 3.1Å; S45-V48 VanDerWaalsContact OG-CG2 3.29Å; S45-V48 WeakPolarHBondContact OG-CG2 3.37Å; S45-S90 WeakPolarHBondContact CB-O 3.39Å; S45-D91 WeakPolarHBondContact OG-CA 3.43Å; S45-K92 PolarHBondContact N-O 2.9Å; S45-K92 PolarHBondContact OG-N 2.86Å
46E92.8Very high95Very high179 Ų17953.1 Ų53.184%0.83628%0.278SS*.THydrogen-bonded Turntrans-58.6-32-175.4-171.8-178.5179.700114.1
47R92.8Very high95.1Very high88 Ų8857.3 Ų57.333%0.33228%0.281SS..THydrogen-bonded Turntrans-86.4-9.1-176.4-54.6-175.2169.9-170.4-2.9113.8S45 Q83 S89 D91S45-R47 PolarHBondContact O-N 3.23Å; R47-Q83 VanDerWaalsContact CD-NE2 3.28Å; R47-Q83 VanDerWaalsContact CG-NE2 3.3Å; R47-S89 PolarHBondContact NH1-OG 3.33Å; R47-D91 WeakPolarHBondContact CB-OD1 3.33Å
48V96.7Very high95.1Very high1 Ų158.5 Ų58.51%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-103.1125.1179.4-178.60000107.2H44 S45 V50 V79 M81 D91 V93 L113H44-V48 HydrophobicContact CB-CB 4.48Å; H44-V48 PolarHBondContact CE1-O 2.84Å; H44-V48 PolarHBondContact ND1-O 3.4Å; S45-V48 PolarHBondContact O-N 2.99Å; S45-V48 VanDerWaalsContact O-O 3.1Å; S45-V48 VanDerWaalsContact OG-CG2 3.29Å; S45-V48 WeakPolarHBondContact OG-CG2 3.37Å; V48-V50 HydrophobicContact CG1-CG2 3.92Å; V48-V79 HydrophobicContact CG1-CG1 3.46Å; V48-V79 VanDerWaalsContact CG1-CG1 3.46Å; V48-M81 HydrophobicContact CG2-CE 4Å; V48-M81 HydrophobicContact CG2-CG 4.15Å; V48-M81 HydrophobicContact CG2-SD 3.99Å; V48-D91 HydrophobicContact CG2-CB 3.94Å; V48-V93 HydrophobicContact CG1-CG2 3.71Å; V48-L113 HydrophobicContact CG1-CD1 4.3Å; V48-L113 HydrophobicContact CG2-CD1 4.34Å
49R96.9Very high95.2Very high145 Ų14556.9 Ų56.955%0.54728%0.283SS..EExtended strand (participates in β ladder)trans-96.6134.9169.8-63-170.5-173.6-163.61.8109V79 T80R49-V79 WeakPolarHBondContact O-CA 3.45Å; R49-T80 PolarHBondContact N-O 3.22Å; R49-T80 PolarHBondContact O-N 2.85Å
50V97.4Very high95.1Very high0 Ų061.3 Ų61.30%030%0.302CS..EExtended strand (participates in β ladder)trans-129.4128.1-178.5-1750000109.1L42 H44 V48 V61 L77 R78 V93L42-V50 HydrophobicContact CD1-CB 4.26Å; L42-V50 HydrophobicContact CD1-CG1 4.02Å; L42-V50 HydrophobicContact CD2-CG1 3.86Å; H44-V50 HydrophobicContact CB-CG2 3.69Å; V48-V50 HydrophobicContact CG1-CG2 3.92Å; V50-V61 PolarHBondContact O-N 3.26Å; V50-L77 HydrophobicContact CG1-CB 4.26Å; V50-L77 HydrophobicContact CG1-CD1 4.22Å; V50-L77 HydrophobicContact CG1-CD2 4.11Å; V50-L77 HydrophobicContact CG1-CG 4.42Å; V50-R78 WeakPolarHBondContact CA-O 3.33Å; V50-V93 HydrophobicContact CG2-CG1 4.27Å; V50-V93 HydrophobicContact CG2-CG2 3.72Å
51E97.4Very high95Very high42 Ų4261.7 Ų61.720%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-114.5136.6170.7-60163.198.600109A58 E59 E60 L77 R78E51-A58 HydrophobicContact CB-CB 4.37Å; E51-E59 CarbonylContact C-O 3.55Å; E51-E59 WeakPolarHBondContact CA-O 3.48Å; E51-E60 HydrophobicContact CG-CB 4.17Å; E51-E60 HydrophobicContact CG-CG 4.47Å; E51-L77 CarbonylContact O-C 3.52Å; E51-L77 VanDerWaalsContact O-CA 3.31Å; E51-L77 WeakPolarHBondContact O-CA 3.31Å; E51-R78 HydrophobicContact CB-CB 4.28Å; E51-R78 PolarHBondContact N-O 3.42Å; E51-R78 PolarHBondContact O-N 3.41Å; E51-R78 IonicContact OE1-CZ 2.88Å; E51-R78 IonicContact OE1-NE 2.82Å; E51-R78 IonicContact OE1-NH2 2.75Å; E51-R78 PolarHBondContact OE1-NH2 3.34Å; E51-R78 IonicContact OE2-CZ 2.69Å; E51-R78 IonicContact OE2-NE 3.65Å; E51-R78 PolarHBondContact OE2-NE 3.5Å; E51-R78 IonicContact OE2-NH2 3.86Å; E51-R78 PolarHBondContact OE2-NH2 2.83Å; E51-R78 VanDerWaalsContact OE2-NH2 3.15Å
52V97.3Very high94.8Very high0 Ų064.8 Ų64.80%033%0.33CS..EExtended strand (participates in β ladder)trans-87.3121.31681740000107.5F40 L42 R54 A58 E59 V61 W69 T75 L77F40-V52 HydrophobicContact CZ-CG1 4.45Å; L42-V52 HydrophobicContact CD2-CG2 3.68Å; V52-R54 HydrophobicContact CG1-CG 4.12Å; V52-A58 WeakPolarHBondContact O-CA 3.44Å; V52-E59 PolarHBondContact N-O 2.98Å; V52-E59 PolarHBondContact O-N 3.45Å; V52-V61 HydrophobicContact CB-CG2 4.37Å; V52-V61 HydrophobicContact CG2-CG2 3.67Å; V52-W69 HydrophobicContact CB-CD2 4.48Å; V52-W69 HydrophobicContact CB-CZ2 4.43Å; V52-W69 HydrophobicContact CG1-CD2 4.17Å; V52-W69 HydrophobicContact CG1-CG 4.01Å; V52-W69 HydrophobicContact CG2-CD2 3.97Å; V52-W69 HydrophobicContact CG2-CE3 4.09Å; V52-W69 HydrophobicContact CG2-CH2 4.03Å; V52-W69 HydrophobicContact CG2-CZ2 3.88Å; V52-W69 HydrophobicContact CG2-CZ3 4.13Å; V52-T75 HydrophobicContact CG1-CG2 3.82Å; V52-L77 HydrophobicContact CB-CD2 4.48Å; V52-L77 HydrophobicContact CG2-CD2 3.65Å
53V97.1Very high94.5Very high20 Ų2068 Ų6812%0.12135%0.35CS..EExtended strand (participates in β ladder)trans-105.1117.5-178.9-175.30000108.6E57 A58 T75 T76 R78V53-E57 CarbonylContact C-O 3.44Å; V53-E57 VanDerWaalsContact CA-O 3.28Å; V53-E57 WeakPolarHBondContact CA-O 3.33Å; V53-A58 HydrophobicContact CG2-CB 4.15Å; V53-T75 CarbonylContact O-C 2.99Å; V53-T75 VanDerWaalsContact O-CA 3.3Å; V53-T75 WeakPolarHBondContact O-CA 3.46Å; V53-T76 PolarHBondContact N-O 2.96Å; V53-T76 PolarHBondContact O-N 3.05Å; V53-R78 HydrophobicContact CG2-CB 3.86Å
54R95.6Very high94Very high111 Ų11168.8 Ų68.842%0.41936%0.358SS..EExtended strand (participates in β ladder)trans-118112178.9-68.8177.8-74135.4-7.4109V52 G56 E57 E59 T75V52-R54 HydrophobicContact CG1-CG 4.12Å; R54-G56 PolarHBondContact O-N 3.44Å; R54-E57 PolarHBondContact N-O 3.31Å; R54-E57 WeakPolarHBondContact O-CB 3.46Å; R54-E57 PolarHBondContact O-N 3.37Å; R54-E59 IonicContact CZ-OE2 3.48Å; R54-E59 IonicContact NH2-OE2 3.99Å; R54-E59 PolarHBondContact NH2-OE2 3.47Å; R54-T75 HydrophobicContact CG-CG2 3.84Å
55D90.7Very high93.1Very high132 Ų13268.5 Ų68.571%0.70636%0.361SS*.THydrogen-bonded Turntrans50.132.7-179.5-59-32.8000113.6S74D55-S74 PolarHBondContact N-O 2.92Å; D55-S74 WeakPolarHBondContact OD1-CB 3.44Å; D55-S74 PolarHBondContact OD1-OG 2.94Å
56G87.4Confident92.5Very high60 Ų6076.8 Ų76.862%0.61939%0.394SS*.THydrogen-bonded Turntrans97.4-16.2-178.500000115.6R54R54-G56 PolarHBondContact O-N 3.44Å
57E92.8Very high92.5Very high149 Ų14972.3 Ų72.370%0.69637%0.374SS*.EExtended strand (participates in β ladder)trans-83.5122.2177.3-64.9-63.2154.600110.8V53 R54V53-E57 CarbonylContact C-O 3.44Å; V53-E57 VanDerWaalsContact CA-O 3.28Å; V53-E57 WeakPolarHBondContact CA-O 3.33Å; R54-E57 PolarHBondContact N-O 3.31Å; R54-E57 WeakPolarHBondContact O-CB 3.46Å; R54-E57 PolarHBondContact O-N 3.37Å
58A94.7Very high92.6Very high43 Ų4372.8 Ų72.836%0.35538%0.375SS..EExtended strand (participates in β ladder)trans-103.5129.7-175.400000112.4E51 V52 V53E51-A58 HydrophobicContact CB-CB 4.37Å; V52-A58 WeakPolarHBondContact O-CA 3.44Å; V53-A58 HydrophobicContact CG2-CB 4.15Å
59E95.4Very high92.5Very high60 Ų6073.4 Ų73.428%0.2838%0.378SS..EExtended strand (participates in β ladder)trans-123.1115.7178.8-176.9-176.7172.900109.7E51 V52 R54 Q67E51-E59 CarbonylContact C-O 3.55Å; E51-E59 WeakPolarHBondContact CA-O 3.48Å; V52-E59 PolarHBondContact N-O 2.98Å; V52-E59 PolarHBondContact O-N 3.45Å; R54-E59 IonicContact CZ-OE2 3.48Å; R54-E59 IonicContact NH2-OE2 3.99Å; R54-E59 PolarHBondContact NH2-OE2 3.47Å; E59-Q67 PolarHBondContact OE1-NE2 2.95Å
60E94.9Very high92.5Very high120 Ų12072.1 Ų72.156%0.56138%0.381SS*.EExtended strand (participates in β ladder)trans-69.4135177.3-169.5171.4-161.600111E51E51-E60 HydrophobicContact CG-CB 4.17Å; E51-E60 HydrophobicContact CG-CG 4.47Å
61V94.8Very high92.4Very high9 Ų973.4 Ų73.46%0.05539%0.389CS..  trans-107.8147-174.4-176.50000110.9L42 H44 V50 V52 W69L42-V61 HydrophobicContact CD1-CB 4.07Å; L42-V61 HydrophobicContact CD1-CG1 3.66Å; L42-V61 HydrophobicContact CD2-CG2 4.3Å; L42-V61 HydrophobicContact CG-CG1 4.04Å; H44-V61 PolarHBondContact NE2-O 3.05Å; V50-V61 PolarHBondContact O-N 3.26Å; V52-V61 HydrophobicContact CB-CG2 4.37Å; V52-V61 HydrophobicContact CG2-CG2 3.67Å; V61-W69 HydrophobicContact CB-CH2 4.34Å; V61-W69 HydrophobicContact CG1-CH2 3.7Å; V61-W69 HydrophobicContact CG1-CZ2 4.46Å; V61-W69 HydrophobicContact CG2-CH2 3.59Å; V61-W69 HydrophobicContact CG2-CZ2 3.68Å
62A91.6Very high92.3Very high67 Ų6773 Ų7355%0.55439%0.39SS*.  trans-77.2148.5173.300000112.4N64 G65A62-N64 PolarHBondContact O-N 2.85Å; A62-G65 PolarHBondContact O-N 3.45Å; A62-G65 VanDerWaalsContact O-N 3.13Å
63T89.6Confident92.2Very high68 Ų6877.1 Ų77.142%0.41742%0.418SS..THydrogen-bonded Turntrans-50.7-36.3-175.352.20000115.2K43 H44K43-T63 CarbonylContact C-O 3.56Å; K43-T63 VanDerWaalsContact CA-O 3.29Å; K43-T63 WeakPolarHBondContact CA-O 3.16Å; H44-T63 PolarHBondContact N-O 3.32Å; H44-T63 WeakPolarHBondContact NE2-CA 3.44Å; H44-T63 PolarHBondContact NE2-N 3.47Å; H44-T63 WeakPolarHBondContact O-CB 3.45Å
64N86.9Confident92Very high105 Ų10578.6 Ų78.656%0.56143%0.428SS*.THydrogen-bonded Turntrans-128.847.6179.3-166.634.5000111.5K43 A62K43-N64 VanDerWaalsContact CD-OD1 3.24Å; K43-N64 WeakPolarHBondContact CD-OD1 3.11Å; K43-N64 WeakPolarHBondContact CE-OD1 3.29Å; K43-N64 PolarHBondContact NZ-OD1 3.43Å; A62-N64 PolarHBondContact O-N 2.85Å
65G77.8Confident92.1Very high16 Ų1673.8 Ų73.817%0.16541%0.412CS..  trans-63.2145.2175.300000113A62A62-G65 PolarHBondContact O-N 3.45Å; A62-G65 VanDerWaalsContact O-N 3.13Å
66K82.7Confident92.4Very high197 Ų19767.9 Ų67.986%0.85738%0.38SS*.  trans-100.84165.7-66.9-175179.2-179.20112.4
67Q92.4Very high92.9Very high86 Ų8665.1 Ų65.140%0.40235%0.351SS..  trans-62.8141.3179.3-171.7172.3-7.100109.8S41 E59 W69S41-Q67 WeakPolarHBondContact CA-O 3.37Å; S41-Q67 WeakPolarHBondContact CB-O 3.46Å; E59-Q67 PolarHBondContact OE1-NE2 2.95Å; Q67-W69 HydrophobicContact CB-CH2 3.73Å; Q67-W69 HydrophobicContact CB-CZ2 3.95Å; Q67-W69 HydrophobicContact CB-CZ3 4.26Å; Q67-W69 HydrophobicContact CG-CD2 4.42Å; Q67-W69 HydrophobicContact CG-CH2 3.81Å; Q67-W69 HydrophobicContact CG-CZ2 3.49Å; Q67-W69 VanDerWaalsContact CG-CZ2 3.49Å; Q67-W69 HydrophobicContact CG-CZ3 4.41Å; Q67-W69 WeakPolarHBondContact O-CZ3 3.27Å
68R94.1Very high93.2Very high97 Ų9761.4 Ų61.437%0.36633%0.331SS..  trans-120.7143.5179.2-66.8-176.7-168.4176.43.5109.7F40 Y98 S103F40-R68 CarbonylContact O-C 3.57Å; F40-R68 WeakPolarHBondContact O-CA 3.28Å; R68-Y98 HydrophobicContact CG-CD2 4.46Å; R68-Y98 HydrophobicContact CG-CE2 4.35Å; R68-S103 PolarHBondContact NH2-O 3.36Å
69W95.9Very high93.3Very high15 Ų1559.4 Ų59.46%0.05731%0.314CS..EExtended strand (participates in β ladder)trans-123.8153.4173.5-58.2-94.1000109.5T39 F40 L42 V52 V61 Q67 T75T39-W69 CarbonylContact C-O 3.59Å; T39-W69 WeakPolarHBondContact CA-O 3.47Å; T39-W69 WeakPolarHBondContact CB-O 3.43Å; F40-W69 HydrophobicContact CD1-CB 4.38Å; F40-W69 WeakPolarHBondContact CD1-O 3.31Å; F40-W69 HydrophobicContact CD2-CE3 4.39Å; F40-W69 HydrophobicContact CE1-CB 3.75Å; F40-W69 AromaticContact CE2-CE3 3.93Å; F40-W69 HydrophobicContact CE2-CE3 3.93Å; F40-W69 HydrophobicContact CZ-CB 3.87Å; F40-W69 HydrophobicContact CZ-CE3 4.27Å; F40-W69 HydrophobicContact CZ-CG 4.45Å; F40-W69 PolarHBondContact N-O 3.3Å; F40-W69 PolarHBondContact O-N 2.96Å; L42-W69 HydrophobicContact CD2-CZ3 4.18Å; L42-W69 HydrophobicContact CG-CZ3 4.19Å; V52-W69 HydrophobicContact CB-CD2 4.48Å; V52-W69 HydrophobicContact CB-CZ2 4.43Å; V52-W69 HydrophobicContact CG1-CD2 4.17Å; V52-W69 HydrophobicContact CG1-CG 4.01Å; V52-W69 HydrophobicContact CG2-CD2 3.97Å; V52-W69 HydrophobicContact CG2-CE3 4.09Å; V52-W69 HydrophobicContact CG2-CH2 4.03Å; V52-W69 HydrophobicContact CG2-CZ2 3.88Å; V52-W69 HydrophobicContact CG2-CZ3 4.13Å; V61-W69 HydrophobicContact CB-CH2 4.34Å; V61-W69 HydrophobicContact CG1-CH2 3.7Å; V61-W69 HydrophobicContact CG1-CZ2 4.46Å; V61-W69 HydrophobicContact CG2-CH2 3.59Å; V61-W69 HydrophobicContact CG2-CZ2 3.68Å; Q67-W69 HydrophobicContact CB-CH2 3.73Å; Q67-W69 HydrophobicContact CB-CZ2 3.95Å; Q67-W69 HydrophobicContact CB-CZ3 4.26Å; Q67-W69 HydrophobicContact CG-CD2 4.42Å; Q67-W69 HydrophobicContact CG-CH2 3.81Å; Q67-W69 HydrophobicContact CG-CZ2 3.49Å; Q67-W69 VanDerWaalsContact CG-CZ2 3.49Å; Q67-W69 HydrophobicContact CG-CZ3 4.41Å; Q67-W69 WeakPolarHBondContact O-CZ3 3.27Å; W69-T75 HydrophobicContact CB-CG2 4.48Å
70L96.1Very high93.4Very high118 Ų11858.4 Ų58.462%0.61831%0.312SS*.EExtended strand (participates in β ladder)trans-65.7136.4174.6-71.4169.2000110.1T39 S72T39-L70 HydrophobicContact CG2-CD2 4.08Å; L70-S72 PolarHBondContact O-N 2.88Å
71V95.4Very high93.5Very high26 Ų2653 Ų5316%0.15829%0.287CS..  trans-70.4112.1172174.70000107.6Y30 A33 Q38 F40 Y97Y30-V71 HydrophobicContact CD2-CG1 3.46Å; Y30-V71 VanDerWaalsContact CD2-CG1 3.46Å; Y30-V71 HydrophobicContact CE2-CG1 3.93Å; Y30-V71 HydrophobicContact CG-CG1 4.41Å; A33-V71 HydrophobicContact CB-CG1 3.95Å; Q38-V71 PolarHBondContact O-N 2.91Å; F40-V71 HydrophobicContact CB-CG2 4.23Å; F40-V71 HydrophobicContact CD1-CG2 3.95Å; V71-Y97 HydrophobicContact CG2-CD1 4.35Å
72S95.6Very high93.5Very high33 Ų3357.1 Ų57.123%0.23132%0.316CS..  trans-141.4145.2179.9172.80000109.7L70 S74 T75L70-S72 PolarHBondContact O-N 2.88Å; S72-S74 PolarHBondContact O-N 3.36Å; S72-S74 VanDerWaalsContact O-N 3.16Å; S72-S74 PolarHBondContact OG-N 3.01Å; S72-S74 PolarHBondContact OG-OG 3.27Å; S72-S74 VanDerWaalsContact OG-OG 3.14Å; S72-T75 PolarHBondContact O-N 3.44Å
73P94.2Very high93.7Very high88 Ų8858.2 Ų58.257%0.57131%0.31SS*.THydrogen-bonded Turntrans-57.7-24.1171.8-23.834.2000114.1Y30Y30-P73 HydrophobicContact CD1-CG 4.19Å; Y30-P73 HydrophobicContact CD2-CG 4.06Å; Y30-P73 HydrophobicContact CE1-CG 4.03Å; Y30-P73 HydrophobicContact CE2-CG 3.9Å; Y30-P73 HydrophobicContact CG-CG 4.21Å
74S94.5Very high94Very high50 Ų5055.4 Ų55.435%0.3529%0.294SS..THydrogen-bonded Turntrans-96.30.7178.268.80000114.3D55 S72D55-S74 PolarHBondContact N-O 2.92Å; D55-S74 WeakPolarHBondContact OD1-CB 3.44Å; D55-S74 PolarHBondContact OD1-OG 2.94Å; S72-S74 PolarHBondContact O-N 3.36Å; S72-S74 VanDerWaalsContact O-N 3.16Å; S72-S74 PolarHBondContact OG-N 3.01Å; S72-S74 PolarHBondContact OG-OG 3.27Å; S72-S74 VanDerWaalsContact OG-OG 3.14Å
75T96.9Very high94.5Very high11 Ų1150.7 Ų50.77%0.06727%0.269CS..EExtended strand (participates in β ladder)trans-103.7109.4173.5-59.80000109.4F40 V52 V53 R54 W69 S72F40-T75 HydrophobicContact CE1-CG2 3.75Å; F40-T75 HydrophobicContact CZ-CG2 3.8Å; V52-T75 HydrophobicContact CG1-CG2 3.82Å; V53-T75 CarbonylContact O-C 2.99Å; V53-T75 VanDerWaalsContact O-CA 3.3Å; V53-T75 WeakPolarHBondContact O-CA 3.46Å; R54-T75 HydrophobicContact CG-CG2 3.84Å; W69-T75 HydrophobicContact CB-CG2 4.48Å; S72-T75 PolarHBondContact O-N 3.44Å
76T97.7Very high95.2Very high8 Ų853.2 Ų53.25%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-130.3175.7-174.358.10000112W26 V53W26-T76 HydrophobicContact CZ2-CG2 3.67Å; W26-T76 PolarHBondContact NE1-OG1 3.15Å; V53-T76 PolarHBondContact N-O 2.96Å; V53-T76 PolarHBondContact O-N 3.05Å
77L97.8Very high95.4Very high1 Ų149.2 Ų49.21%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-107.1139.8174-53.8-178.4000111T27 V29 F40 L42 V50 E51 V52 V79 V93 V95T27-L77 PolarHBondContact N-O 3.21Å; T27-L77 PolarHBondContact O-N 2.8Å; V29-L77 HydrophobicContact CG1-CD1 3.55Å; V29-L77 HydrophobicContact CG1-CG 3.6Å; F40-L77 HydrophobicContact CE2-CD2 4.24Å; L42-L77 HydrophobicContact CD2-CD1 4.18Å; L42-L77 HydrophobicContact CD2-CD2 3.47Å; L42-L77 VanDerWaalsContact CD2-CD2 3.47Å; L42-L77 HydrophobicContact CD2-CG 4.48Å; V50-L77 HydrophobicContact CG1-CB 4.26Å; V50-L77 HydrophobicContact CG1-CD1 4.22Å; V50-L77 HydrophobicContact CG1-CD2 4.11Å; V50-L77 HydrophobicContact CG1-CG 4.42Å; E51-L77 CarbonylContact O-C 3.52Å; E51-L77 VanDerWaalsContact O-CA 3.31Å; E51-L77 WeakPolarHBondContact O-CA 3.31Å; V52-L77 HydrophobicContact CB-CD2 4.48Å; V52-L77 HydrophobicContact CG2-CD2 3.65Å; L77-V79 HydrophobicContact CB-CG2 4.27Å; L77-V93 HydrophobicContact CD1-CG1 4.19Å; L77-V95 HydrophobicContact CD1-CG2 4.02Å
78R97.8Very high94.9Very high72 Ų7249.5 Ų49.527%0.27228%0.282SS..EExtended strand (participates in β ladder)trans-105.3119.7162.3-177.5164.265.9-149.51.9108.5Y24 L25 V50 E51 V53Y24-R78 HydrophobicContact CD2-CG 3.73Å; Y24-R78 HydrophobicContact CE2-CG 4.15Å; L25-R78 CarbonylContact O-C 3.55Å; L25-R78 WeakPolarHBondContact O-CA 3.43Å; V50-R78 WeakPolarHBondContact CA-O 3.33Å; E51-R78 HydrophobicContact CB-CB 4.28Å; E51-R78 PolarHBondContact N-O 3.42Å; E51-R78 PolarHBondContact O-N 3.41Å; E51-R78 IonicContact OE1-CZ 2.88Å; E51-R78 IonicContact OE1-NE 2.82Å; E51-R78 IonicContact OE1-NH2 2.75Å; E51-R78 PolarHBondContact OE1-NH2 3.34Å; E51-R78 IonicContact OE2-CZ 2.69Å; E51-R78 IonicContact OE2-NE 3.65Å; E51-R78 PolarHBondContact OE2-NE 3.5Å; E51-R78 IonicContact OE2-NH2 3.86Å; E51-R78 PolarHBondContact OE2-NH2 2.83Å; E51-R78 VanDerWaalsContact OE2-NH2 3.15Å; V53-R78 HydrophobicContact CG2-CB 3.86Å
79V97.8Very high94.5Very high0 Ų046.1 Ų46.10%027%0.274CS..EExtended strand (participates in β ladder)trans-114.5125.3-174.7-173.20000109.7L25 V48 R49 L77 V93 L113L25-V79 HydrophobicContact CB-CB 4.16Å; L25-V79 PolarHBondContact N-O 2.92Å; L25-V79 PolarHBondContact O-N 3.01Å; V48-V79 HydrophobicContact CG1-CG1 3.46Å; V48-V79 VanDerWaalsContact CG1-CG1 3.46Å; R49-V79 WeakPolarHBondContact O-CA 3.45Å; L77-V79 HydrophobicContact CB-CG2 4.27Å; V79-V93 HydrophobicContact CG1-CG2 4.24Å; V79-V93 HydrophobicContact CG2-CG2 4.48Å; V79-L113 HydrophobicContact CG1-CD1 3.88Å
80T97.4Very high94.1Very high40 Ų4049.6 Ų49.625%0.24530%0.3CS..EExtended strand (participates in β ladder)trans-129.5140.1-178-52.70000111.4Y19 R49Y19-T80 WeakPolarHBondContact OH-CA 3.29Å; R49-T80 PolarHBondContact N-O 3.22Å; R49-T80 PolarHBondContact O-N 2.85Å
81M97.2Very high94.1Very high7 Ų744.4 Ų44.43%0.03427%0.273CS..EExtended strand (participates in β ladder)trans-129.8137.1171.8-60.9-1777100109.8Y19 L21 V48 D91 L113 A115Y19-M81 HydrophobicContact CD1-CB 3.95Å; Y19-M81 HydrophobicContact CD1-CG 4.47Å; Y19-M81 HydrophobicContact CD2-CG 4.31Å; Y19-M81 HydrophobicContact CD2-SD 4.36Å; Y19-M81 HydrophobicContact CE1-CB 3.76Å; Y19-M81 HydrophobicContact CE2-CB 4.34Å; Y19-M81 HydrophobicContact CE2-CG 4.31Å; Y19-M81 HydrophobicContact CG-CB 4.36Å; Y19-M81 HydrophobicContact CG-CG 4.39Å; Y19-M81 HydrophobicContact CG-SD 4.14Å; Y19-M81 VanDerWaalsContact CZ-N 3.31Å; Y19-M81 PolarHBondContact OH-N 2.76Å; L21-M81 WeakPolarHBondContact CD2-O 3.31Å; V48-M81 HydrophobicContact CG2-CE 4Å; V48-M81 HydrophobicContact CG2-CG 4.15Å; V48-M81 HydrophobicContact CG2-SD 3.99Å; M81-D91 HydrophobicContact CE-CB 3.67Å; M81-D91 VanDerWaalsContact CE-CG 3.44Å; M81-D91 WeakPolarHBondContact CE-OD2 3.48Å; M81-L113 HydrophobicContact SD-CB 3.91Å; M81-L113 HydrophobicContact SD-CD1 3.82Å; M81-A115 HydrophobicContact CB-CB 4.42Å; M81-A115 HydrophobicContact CE-CB 3.53Å; M81-A115 HydrophobicContact SD-CB 3.83Å
82S94.8Very high94.1Very high95 Ų9547.2 Ų47.266%0.66428%0.283SS*.  trans-108.9-3.1-17663.50000114.1
83Q95.3Very high94.2Very high90 Ų9045.8 Ų45.842%0.42127%0.273SS..SBendtrans-144.3148.5-178.363.3-175.4-3.700111R47 A115R47-Q83 VanDerWaalsContact CD-NE2 3.28Å; R47-Q83 VanDerWaalsContact CG-NE2 3.3Å; Q83-A115 WeakPolarHBondContact O-CB 3.32Å
84A96.6Very high94.4Very high9 Ų942.6 Ų42.67%0.07425%0.252CS..  trans-68.6147177.700000111.3L21 A115 K189L21-A84 HydrophobicContact CD1-CB 4.38Å; A84-A115 CarbonylContact C-O 3.58Å; A84-A115 WeakPolarHBondContact CA-O 3.4Å; A84-K189 HydrophobicContact CB-CB 4.18Å; A84-K189 HydrophobicContact CB-CD 4.24Å; A84-K189 HydrophobicContact CB-CG 3.91Å; A84-K189 WeakPolarHBondContact CB-O 3.31Å
85S96.3Very high94.5Very high6 Ų640.2 Ų40.24%0.04224%0.236CC..  trans-69.7151.6174.2-58.80000110.6D91 A115 G190S85-D91 PolarHBondContact OG-OD2 2.86Å; S85-A115 PolarHBondContact N-O 3.38Å; S85-A115 PolarHBondContact OG-N 3.26Å; S85-G190 CarbonylContact O-C 3.35Å
86T93Very high94.4Very high69 Ų6940.3 Ų40.342%0.42324%0.235SC..  trans-120.5170172.663.40000109.4A88 S89T86-A88 PolarHBondContact O-N 2.94Å; T86-A88 VanDerWaalsContact O-N 3.07Å; T86-S89 PolarHBondContact N-OG 2.94Å; T86-S89 WeakPolarHBondContact O-CB 3.42Å; T86-S89 PolarHBondContact O-N 3.1Å; T86-S89 PolarHBondContact O-OG 2.91Å; T86-S89 VanDerWaalsContact O-OG 3.05Å; T86-S89 PolarHBondContact OG1-OG 3.43Å; T86-S89 VanDerWaalsContact OG1-OG 3.1Å
87E86.6Confident94.3Very high113 Ų11339.9 Ų39.953%0.52823%0.233SC..THydrogen-bonded Turntrans-55.4-28.3176.2-66.2-56.3120.900114S89 P191 D192E87-S89 VanDerWaalsContact C-N 3.27Å; E87-S89 PolarHBondContact O-N 3.18Å; E87-P191 VanDerWaalsContact OE1-CB 3.23Å; E87-P191 WeakPolarHBondContact OE1-CB 3.37Å; E87-D192 HydrophobicContact CG-CB 4.44Å; E87-D192 WeakPolarHBondContact OE1-CB 3.35Å; E87-D192 PolarHBondContact OE1-N 3.11Å
88A82.3Confident94.2Very high91 Ų9140.7 Ų40.775%0.75224%0.236SC*.THydrogen-bonded Turntrans-81.2-3.1176.500000113.7T86T86-A88 PolarHBondContact O-N 2.94Å; T86-A88 VanDerWaalsContact O-N 3.07Å
89S84.4Confident93.9Very high27 Ų2740.2 Ų40.219%0.18924%0.239CC..  trans-80141.7-174.4-55.30000111.2R47 T86 E87 D91R47-S89 PolarHBondContact NH1-OG 3.33Å; T86-S89 PolarHBondContact N-OG 2.94Å; T86-S89 WeakPolarHBondContact O-CB 3.42Å; T86-S89 PolarHBondContact O-N 3.1Å; T86-S89 PolarHBondContact O-OG 2.91Å; T86-S89 VanDerWaalsContact O-OG 3.05Å; T86-S89 PolarHBondContact OG1-OG 3.43Å; T86-S89 VanDerWaalsContact OG1-OG 3.1Å; E87-S89 VanDerWaalsContact C-N 3.27Å; E87-S89 PolarHBondContact O-N 3.18Å; S89-D91 WeakPolarHBondContact CB-OD2 3.49Å
90S88.8Confident93.2Very high88 Ų8848 Ų4862%0.61528%0.275SS*.  trans-13160.8173.9-70.90000108.1S45 K92S45-S90 WeakPolarHBondContact CB-O 3.39Å; S90-K92 PolarHBondContact O-N 3.05Å
91D95.4Very high91.9Very high8 Ų855.2 Ų55.24%0.04331%0.306CS..  trans-76.2113.7-172.6-60.7-40.9000110S45 R47 V48 M81 S85 S89 L113S45-D91 WeakPolarHBondContact OG-CA 3.43Å; R47-D91 WeakPolarHBondContact CB-OD1 3.33Å; V48-D91 HydrophobicContact CG2-CB 3.94Å; M81-D91 HydrophobicContact CE-CB 3.67Å; M81-D91 VanDerWaalsContact CE-CG 3.44Å; M81-D91 WeakPolarHBondContact CE-OD2 3.48Å; S85-D91 PolarHBondContact OG-OD2 2.86Å; S89-D91 WeakPolarHBondContact CB-OD2 3.49Å; D91-L113 HydrophobicContact CB-CB 4.26Å; D91-L113 PolarHBondContact O-N 3.12Å
92K96.6Very high90.6Very high85 Ų8556 Ų5637%0.3732%0.316SS..EExtended strand (participates in β ladder)trans-155153.3-175.965.1-173.8173.1-174.30113H44 S45 S90 L111 F112H44-K92 CarbonylContact C-O 3.58Å; H44-K92 VanDerWaalsContact CA-O 3.23Å; H44-K92 WeakPolarHBondContact CA-O 3.3Å; S45-K92 PolarHBondContact N-O 2.9Å; S45-K92 PolarHBondContact OG-N 2.86Å; S90-K92 PolarHBondContact O-N 3.05Å; K92-L111 CarbonylContact C-O 3.48Å; K92-L111 WeakPolarHBondContact CA-O 3.48Å; K92-L111 WeakPolarHBondContact CB-O 3.16Å; K92-F112 HydrophobicContact CB-CD1 4.08Å; K92-F112 HydrophobicContact CB-CE1 4.31Å; K92-F112 HydrophobicContact CB-CG 4.4Å; K92-F112 HydrophobicContact CD-CD1 4.42Å; K92-F112 HydrophobicContact CD-CE1 3.89Å; K92-F112 HydrophobicContact CD-CZ 4.33Å
93V97.3Very high89.8Confident3 Ų356.1 Ų56.12%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-118.2136.6164.8-174.30000107.5K43 H44 V48 V50 L77 V79 L111K43-V93 CarbonylContact O-C 3.55Å; K43-V93 WeakPolarHBondContact O-CA 3.43Å; H44-V93 HydrophobicContact CB-CG2 4.11Å; V48-V93 HydrophobicContact CG1-CG2 3.71Å; V50-V93 HydrophobicContact CG2-CG1 4.27Å; V50-V93 HydrophobicContact CG2-CG2 3.72Å; L77-V93 HydrophobicContact CD1-CG1 4.19Å; V79-V93 HydrophobicContact CG1-CG2 4.24Å; V79-V93 HydrophobicContact CG2-CG2 4.48Å; V93-L111 HydrophobicContact CB-CB 4.35Å; V93-L111 PolarHBondContact N-O 3.36Å; V93-L111 PolarHBondContact O-N 3.2Å
94T96.8Very high89.6Confident21 Ų2158.5 Ų58.513%0.12933%0.331CS..EExtended strand (participates in β ladder)trans-129.8122.1-179.6-56.80000108.6L42 K43 Q108L42-T94 CarbonylContact C-O 3.58Å; L42-T94 VanDerWaalsContact CA-O 3.25Å; L42-T94 WeakPolarHBondContact CA-O 3.4Å; K43-T94 PolarHBondContact N-O 3.3Å; K43-T94 PolarHBondContact O-N 3.14Å; T94-Q108 HydrophobicContact CG2-CG 3.58Å
95V96.6Very high89.3Confident1 Ų160.7 Ų60.71%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-109125.9-179.9179.10000108.6L9 V29 F40 S41 L42 L77 Y97 Q108 A109L9-V95 HydrophobicContact CD1-CB 3.91Å; L9-V95 HydrophobicContact CD1-CG2 3.64Å; V29-V95 HydrophobicContact CG1-CG2 4.14Å; F40-V95 HydrophobicContact CB-CG1 3.87Å; F40-V95 HydrophobicContact CD2-CG1 3.82Å; F40-V95 HydrophobicContact CG-CG1 4.18Å; S41-V95 CarbonylContact O-C 3.51Å; S41-V95 WeakPolarHBondContact O-CA 3.32Å; L42-V95 HydrophobicContact CB-CG2 4.21Å; L77-V95 HydrophobicContact CD1-CG2 4.02Å; V95-Y97 HydrophobicContact CG1-CD1 4.4Å; V95-Y97 HydrophobicContact CG1-CE1 3.74Å; V95-Y97 HydrophobicContact CG1-CE2 4.27Å; V95-Q108 CarbonylContact O-C 3.56Å; V95-Q108 VanDerWaalsContact O-CA 3.31Å; V95-Q108 WeakPolarHBondContact O-CA 3.35Å; V95-A109 PolarHBondContact N-O 3.08Å; V95-A109 PolarHBondContact O-N 3.41Å
96N95.6Very high89.2Confident12 Ų1263.9 Ų63.96%0.06436%0.361CS..EExtended strand (participates in β ladder)trans-107.3132.5175.8-64.2-51.7000109.2F40 S41 Y98 P105 Q108F40-N96 CarbonylContact C-O 3.56Å; F40-N96 WeakPolarHBondContact CA-O 3.24Å; S41-N96 PolarHBondContact N-O 3.15Å; S41-N96 PolarHBondContact O-N 3.34Å; N96-Y98 HydrophobicContact CB-CE2 4.02Å; N96-Y98 VanDerWaalsContact O-CE2 3.3Å; N96-Y98 WeakPolarHBondContact O-CE2 3.38Å; N96-P105 HydrophobicContact CB-CB 3.96Å; N96-P105 HydrophobicContact CB-CG 3.94Å; N96-Q108 PolarHBondContact OD1-NE2 3.47Å
97Y95.6Very high89.3Confident0 Ų062.7 Ų62.70%035%0.352CS..EExtended strand (participates in β ladder)trans-101.4150.3178-57.5-74.5000111.4V29 A32 A33 F40 V71 V95 P105 I106 D107 A109V29-Y97 PolarHBondContact O-OH 3.41Å; A32-Y97 WeakPolarHBondContact O-CE2 3.42Å; A33-Y97 HydrophobicContact CB-CD1 3.72Å; A33-Y97 HydrophobicContact CB-CE1 3.67Å; A33-Y97 HydrophobicContact CB-CG 4.32Å; F40-Y97 HydrophobicContact CB-CD1 3.75Å; F40-Y97 HydrophobicContact CB-CE1 3.95Å; V71-Y97 HydrophobicContact CG2-CD1 4.35Å; V95-Y97 HydrophobicContact CG1-CD1 4.4Å; V95-Y97 HydrophobicContact CG1-CE1 3.74Å; V95-Y97 HydrophobicContact CG1-CE2 4.27Å; Y97-P105 CarbonylContact O-C 3.58Å; Y97-P105 VanDerWaalsContact O-CA 3.26Å; Y97-P105 WeakPolarHBondContact O-CA 3.15Å; Y97-I106 WeakPolarHBondContact O-CG1 3.32Å; Y97-I106 PolarHBondContact O-N 2.98Å; Y97-D107 HydrophobicContact CD2-CB 4.38Å; Y97-D107 PolarHBondContact N-O 3.33Å; Y97-A109 HydrophobicContact CE2-CB 3.88Å
98Y94.9Very high89.6Confident18 Ų1862.4 Ų62.47%0.07135%0.351CS..EExtended strand (participates in β ladder)trans-135.3142.5-179-52.5-92.2000110.7Q38 T39 S41 R68 N96 P105Q38-Y98 PolarHBondContact N-O 3Å; T39-Y98 PolarHBondContact N-O 3.26Å; T39-Y98 PolarHBondContact O-N 2.87Å; S41-Y98 WeakPolarHBondContact OG-CE2 3.5Å; S41-Y98 PolarHBondContact OG-OH 2.77Å; R68-Y98 HydrophobicContact CG-CD2 4.46Å; R68-Y98 HydrophobicContact CG-CE2 4.35Å; N96-Y98 HydrophobicContact CB-CE2 4.02Å; N96-Y98 VanDerWaalsContact O-CE2 3.3Å; N96-Y98 WeakPolarHBondContact O-CE2 3.38Å; Y98-P105 HydrophobicContact CE1-CB 4.25Å; Y98-P105 HydrophobicContact CE1-CG 3.74Å
99D92.5Very high90.3Very high62 Ų6258.1 Ų58.133%0.33232%0.315SS..  trans-81.7-172167.259.717000111.1E101 G102 I106D99-E101 PolarHBondContact OD1-N 2.82Å; D99-G102 WeakPolarHBondContact OD1-CA 3.26Å; D99-G102 PolarHBondContact OD1-N 2.7Å; D99-I106 HydrophobicContact CB-CD1 4.14Å; D99-I106 HydrophobicContact CB-CG2 4.17Å; D99-I106 WeakPolarHBondContact OD2-CG2 3.18Å
100E82.1Confident90.8Very high163 Ų16357.1 Ų57.176%0.76231%0.309SS*.SBendtrans-75.3-29.9-174.2-162.5169.3-17600113.5Q38Q38-E100 HydrophobicContact CG-CB 4.32Å
101E70.6Confident91.2Very high191 Ų19153 Ų5389%0.89328%0.28SS*.SBendtrans-107.2-11.1-169.9-64-172.5167.900113.9D99D99-E101 PolarHBondContact OD1-N 2.82Å
102G70Confident91.3Very high24 Ų2456.1 Ų56.125%0.24729%0.294CS..  trans-108.2142.2-171.400000116.5D99D99-G102 WeakPolarHBondContact OD1-CA 3.26Å; D99-G102 PolarHBondContact OD1-N 2.7Å
103S78.9Confident91.3Very high98 Ų9852.5 Ų52.569%0.68528%0.278SS*.SBendtrans-94.4-4164.7-72.60000113.9R68R68-S103 PolarHBondContact NH2-O 3.36Å
104I89.8Confident91.4Very high139 Ų13954 Ų5471%0.71329%0.288SS*.SBendtrans-96.4133.1179.2-58.7176.9000107.7I106I104-I106 PolarHBondContact O-N 3.32Å
105P92.1Very high91.4Very high56 Ų5653 Ų5336%0.36428%0.281SS..  trans-55.8129.6175.3-25.434.6000111.8N96 Y97 Y98N96-P105 HydrophobicContact CB-CB 3.96Å; N96-P105 HydrophobicContact CB-CG 3.94Å; Y97-P105 CarbonylContact O-C 3.58Å; Y97-P105 VanDerWaalsContact O-CA 3.26Å; Y97-P105 WeakPolarHBondContact O-CA 3.15Å; Y98-P105 HydrophobicContact CE1-CB 4.25Å; Y98-P105 HydrophobicContact CE1-CG 3.74Å
106I93.8Very high91.5Very high72 Ų7253 Ų5337%0.36928%0.281SS..SBendtrans-81.7-2717560.2172.9000111.9P34 A37 Y97 D99 I104P34-I106 HydrophobicContact CG-CD1 3.67Å; P34-I106 HydrophobicContact CG-CG1 3.94Å; A37-I106 HydrophobicContact CB-CD1 4.16Å; Y97-I106 WeakPolarHBondContact O-CG1 3.32Å; Y97-I106 PolarHBondContact O-N 2.98Å; D99-I106 HydrophobicContact CB-CD1 4.14Å; D99-I106 HydrophobicContact CB-CG2 4.17Å; D99-I106 WeakPolarHBondContact OD2-CG2 3.18Å; I104-I106 PolarHBondContact O-N 3.32Å
107D94.3Very high91.6Very high45 Ų4556.1 Ų56.124%0.24130%0.295CS..EExtended strand (participates in β ladder)trans-157.9167.9175-163.714.3000110.5P34 Y97P34-D107 HydrophobicContact CB-CB 4.46Å; P34-D107 HydrophobicContact CG-CB 3.74Å; Y97-D107 HydrophobicContact CD2-CB 4.38Å; Y97-D107 PolarHBondContact N-O 3.33Å
108Q94Very high91.8Very high107 Ų10756.6 Ų56.650%0.530%0.298SS..EExtended strand (participates in β ladder)trans-140.7134.6179.2176176.688.700111.4T94 V95 N96T94-Q108 HydrophobicContact CG2-CG 3.58Å; V95-Q108 CarbonylContact O-C 3.56Å; V95-Q108 VanDerWaalsContact O-CA 3.31Å; V95-Q108 WeakPolarHBondContact O-CA 3.35Å; N96-Q108 PolarHBondContact OD1-NE2 3.47Å
109A95.6Very high91.9Very high0 Ų055.9 Ų55.90%030%0.295CS..EExtended strand (participates in β ladder)trans-116140.9168.200000110.4L9 A32 V95 Y97L9-A109 HydrophobicContact CB-CB 4.17Å; L9-A109 HydrophobicContact CD1-CB 3.88Å; A32-A109 HydrophobicContact CB-CB 4.03Å; V95-A109 PolarHBondContact N-O 3.08Å; V95-A109 PolarHBondContact O-N 3.41Å; Y97-A109 HydrophobicContact CE2-CB 3.88Å
110G95.1Very high92.2Very high7 Ų752.9 Ų52.97%0.07228%0.279CS..EExtended strand (participates in β ladder)trans-125141.8-176.200000112.4R14 V15R14-G110 WeakPolarHBondContact CA-O 3.48Å; V15-G110 PolarHBondContact N-O 3.33Å
111L97.4Very high93Very high1 Ų145.2 Ų45.21%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-118.7113.9169.5176.861.7000108.6V7 L9 V15 A17 L25 K92 V93 L113V7-L111 HydrophobicContact CG1-CD1 3.79Å; L9-L111 HydrophobicContact CD2-CB 3.75Å; V15-L111 HydrophobicContact CB-CD1 4.12Å; V15-L111 HydrophobicContact CG1-CD1 3.99Å; V15-L111 CarbonylContact O-C 3.58Å; V15-L111 WeakPolarHBondContact O-CA 3.48Å; A17-L111 HydrophobicContact CB-CD1 4.23Å; L25-L111 HydrophobicContact CD1-CD2 4.38Å; K92-L111 CarbonylContact C-O 3.48Å; K92-L111 WeakPolarHBondContact CA-O 3.48Å; K92-L111 WeakPolarHBondContact CB-O 3.16Å; V93-L111 HydrophobicContact CB-CB 4.35Å; V93-L111 PolarHBondContact N-O 3.36Å; V93-L111 PolarHBondContact O-N 3.2Å; L111-L113 HydrophobicContact CD1-CD2 3.92Å; L111-L113 HydrophobicContact CD2-CD1 4.44Å; L111-L113 HydrophobicContact CD2-CD2 4.03Å; L111-L113 HydrophobicContact CD2-CG 4.4Å; L111-L113 HydrophobicContact CG-CD2 3.79Å; L111-L113 HydrophobicContact CG-CG 4.05Å
112F97.3Very high94.4Very high74 Ų7436.2 Ų36.233%0.32520%0.202SC..EExtended strand (participates in β ladder)trans-102.7126.1177.3-69.7-102.5000108.4R14 V15 E16 A17 K92R14-F112 HydrophobicContact CB-CD2 4Å; R14-F112 HydrophobicContact CB-CE2 3.81Å; R14-F112 HydrophobicContact CG-CD2 4.45Å; R14-F112 HydrophobicContact CG-CE2 4.37Å; V15-F112 PolarHBondContact O-N 3.17Å; E16-F112 WeakPolarHBondContact CA-O 3.37Å; E16-F112 HydrophobicContact CG-CB 4.08Å; A17-F112 PolarHBondContact N-O 2.71Å; K92-F112 HydrophobicContact CB-CD1 4.08Å; K92-F112 HydrophobicContact CB-CE1 4.31Å; K92-F112 HydrophobicContact CB-CG 4.4Å; K92-F112 HydrophobicContact CD-CD1 4.42Å; K92-F112 HydrophobicContact CD-CE1 3.89Å; K92-F112 HydrophobicContact CD-CZ 4.33Å
113L97.8Very high95.8Very high9 Ų936 Ų365%0.04720%0.195CC..EExtended strand (participates in β ladder)trans-113.7141.8-171.1-63.8173.5000110.5A17 L25 V48 V79 M81 D91 L111A17-L113 HydrophobicContact CB-CD2 4.26Å; A17-L113 WeakPolarHBondContact O-CA 3.5Å; L25-L113 HydrophobicContact CD1-CD2 3.89Å; V48-L113 HydrophobicContact CG1-CD1 4.3Å; V48-L113 HydrophobicContact CG2-CD1 4.34Å; V79-L113 HydrophobicContact CG1-CD1 3.88Å; M81-L113 HydrophobicContact SD-CB 3.91Å; M81-L113 HydrophobicContact SD-CD1 3.82Å; D91-L113 HydrophobicContact CB-CB 4.26Å; D91-L113 PolarHBondContact O-N 3.12Å; L111-L113 HydrophobicContact CD1-CD2 3.92Å; L111-L113 HydrophobicContact CD2-CD1 4.44Å; L111-L113 HydrophobicContact CD2-CD2 4.03Å; L111-L113 HydrophobicContact CD2-CG 4.4Å; L111-L113 HydrophobicContact CG-CD2 3.79Å; L111-L113 HydrophobicContact CG-CG 4.05Å
114T98.1Very high96.7Very high35 Ų3531.3 Ų31.322%0.21516%0.162CC..EExtended strand (participates in β ladder)trans-121106.1164.3-62.50000108A17 V18 Y19 I116 P191 P195A17-T114 PolarHBondContact O-N 2.67Å; V18-T114 CarbonylContact C-O 3.5Å; V18-T114 WeakPolarHBondContact CA-O 3.45Å; Y19-T114 PolarHBondContact N-O 3.5Å; T114-I116 HydrophobicContact CG2-CG2 4.35Å; T114-P191 HydrophobicContact CG2-CG 3.69Å; T114-P195 HydrophobicContact CG2-CG 3.91Å
115A98.1Very high97.1Very high0 Ų028.1 Ų28.10%015%0.147CC..EExtended strand (participates in β ladder)trans-82129.8179.800000111.5Y19 L21 M81 Q83 A84 S85Y19-A115 HydrophobicContact CD1-CB 4.35Å; Y19-A115 CarbonylContact O-C 3.51Å; Y19-A115 VanDerWaalsContact O-CA 3.24Å; Y19-A115 WeakPolarHBondContact O-CA 3.17Å; L21-A115 HydrophobicContact CD2-CB 4.38Å; M81-A115 HydrophobicContact CB-CB 4.42Å; M81-A115 HydrophobicContact CE-CB 3.53Å; M81-A115 HydrophobicContact SD-CB 3.83Å; Q83-A115 WeakPolarHBondContact O-CB 3.32Å; A84-A115 CarbonylContact C-O 3.58Å; A84-A115 WeakPolarHBondContact CA-O 3.4Å; S85-A115 PolarHBondContact N-O 3.38Å; S85-A115 PolarHBondContact OG-N 3.26Å
116I98.1Very high97.4Very high1 Ų126.4 Ų26.41%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-132.8150.5174.165.1179.1000111.2V18 Y19 V20 L21 T114 I118 K189 L194 L272V18-I116 HydrophobicContact CG1-CD1 3.55Å; V18-I116 HydrophobicContact CG1-CG1 3.67Å; Y19-I116 PolarHBondContact O-N 3.07Å; V20-I116 CarbonylContact C-O 3.44Å; V20-I116 WeakPolarHBondContact CA-O 3.47Å; V20-I116 HydrophobicContact CG2-CG1 4.3Å; L21-I116 PolarHBondContact N-O 3.43Å; T114-I116 HydrophobicContact CG2-CG2 4.35Å; I116-I118 HydrophobicContact CD1-CD1 3.61Å; I116-I118 HydrophobicContact CD1-CG1 3.95Å; I116-I118 HydrophobicContact CG1-CD1 4.21Å; I116-I118 HydrophobicContact CG1-CG1 4.16Å; I116-K189 CarbonylContact C-O 3.51Å; I116-K189 WeakPolarHBondContact CA-O 3.18Å; I116-L194 HydrophobicContact CD1-CD2 3.81Å; I116-L272 HydrophobicContact CD1-CD1 4.35Å; I116-L272 HydrophobicContact CD1-CD2 4.22Å
117E98.3Very high97.6Very high77 Ų7728.1 Ų28.136%0.3614%0.143SC..EExtended strand (participates in β ladder)trans-94.7132.7166.7-163.8176.1163.900108.6L21 T188 K189L21-E117 HydrophobicContact CD1-CB 4.05Å; L21-E117 HydrophobicContact CD1-CG 4.41Å; E117-T188 VanDerWaalsContact O-CA 3.22Å; E117-T188 WeakPolarHBondContact O-CA 3.29Å; E117-K189 HydrophobicContact CB-CB 3.67Å; E117-K189 PolarHBondContact N-O 3.16Å; E117-K189 PolarHBondContact O-N 3.19Å; E117-K189 VanDerWaalsContact O-N 3.08Å
118I98.3Very high97.7Very high9 Ų927.6 Ų27.65%0.04615%0.148CC..EExtended strand (participates in β ladder)trans-136.9118.5171.3-58.2176.4000106.4V20 I116 L186 M200 V270 L272 F286V20-I118 HydrophobicContact CG1-CB 4.35Å; V20-I118 HydrophobicContact CG2-CD1 4.4Å; I116-I118 HydrophobicContact CD1-CD1 3.61Å; I116-I118 HydrophobicContact CD1-CG1 3.95Å; I116-I118 HydrophobicContact CG1-CD1 4.21Å; I116-I118 HydrophobicContact CG1-CG1 4.16Å; I118-L186 HydrophobicContact CG2-CD1 4.01Å; I118-M200 HydrophobicContact CD1-CG 4.41Å; I118-M200 HydrophobicContact CD1-SD 3.97Å; I118-M200 HydrophobicContact CG1-SD 4.24Å; I118-V270 HydrophobicContact CG2-CG1 4.07Å; I118-V270 HydrophobicContact CG2-CG2 4.5Å; I118-L272 HydrophobicContact CD1-CB 4Å; I118-L272 HydrophobicContact CD1-CD1 4.35Å; I118-L272 HydrophobicContact CD1-CD2 4.49Å; I118-F286 HydrophobicContact CB-CD1 4.33Å; I118-F286 HydrophobicContact CB-CE1 3.97Å; I118-F286 HydrophobicContact CD1-CD1 4.44Å; I118-F286 HydrophobicContact CG2-CD1 4.4Å; I118-F286 HydrophobicContact CG2-CE1 4.04Å
119S98.6Very high97.9Very high3 Ų327.1 Ų27.12%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-139.4123.6173.9-161.60000110D121 N133 K137 R187S119-D121 PolarHBondContact OG-OD1 3.38Å; S119-N133 VanDerWaalsContact OG-CB 3.26Å; S119-N133 WeakPolarHBondContact OG-CB 3.32Å; S119-N133 VanDerWaalsContact OG-CG 3.28Å; S119-N133 PolarHBondContact OG-OD1 3.47Å; S119-K137 PolarHBondContact OG-NZ 2.92Å; S119-R187 PolarHBondContact N-O 3.17Å; S119-R187 PolarHBondContact O-N 3.34Å
120L98.8Very high98.1Very high0 Ų027.7 Ų27.70%016%0.155CC..EExtended strand (participates in β ladder)trans-93.6116.5169.2-172.564.2000108.3K137 M184 L186 L202 I268 V270 D288 V290L120-K137 WeakPolarHBondContact O-CD 3.43Å; L120-K137 WeakPolarHBondContact O-CE 3.38Å; L120-K137 PolarHBondContact O-NZ 3.02Å; L120-M184 HydrophobicContact CD1-CE 4.16Å; L120-M184 HydrophobicContact CD1-CG 3.64Å; L120-M184 HydrophobicContact CD1-SD 3.73Å; L120-M184 HydrophobicContact CD2-SD 3.9Å; L120-M184 HydrophobicContact CG-CG 4.08Å; L120-M184 HydrophobicContact CG-SD 3.95Å; L120-L186 HydrophobicContact CD1-CB 4.18Å; L120-L202 HydrophobicContact CD1-CD2 4.07Å; L120-L202 HydrophobicContact CD2-CD2 4.1Å; L120-I268 HydrophobicContact CD2-CG2 4.17Å; L120-V270 HydrophobicContact CB-CB 4.47Å; L120-V270 HydrophobicContact CB-CG1 3.76Å; L120-V270 HydrophobicContact CD2-CB 4.36Å; L120-V270 HydrophobicContact CD2-CG1 4.39Å; L120-D288 PolarHBondContact N-OD2 3.24Å; L120-V290 HydrophobicContact CB-CG1 4.31Å; L120-V290 HydrophobicContact CD2-CG1 4.34Å; L120-V290 HydrophobicContact CD2-CG2 3.84Å; L120-V290 HydrophobicContact CG-CG1 4.06Å; L120-V290 HydrophobicContact CG-CG2 4.2Å; L120-V290 WeakPolarHBondContact O-CG1 3.4Å
121D98.9Very high98.2Very high2 Ų229 Ų291%0.01116%0.16CC..EExtended strand (participates in β ladder)trans-122.3145-166.8-65.2-21.7000111.4S119 V130 E131 N133 K137 M184 I185 R187S119-D121 PolarHBondContact OG-OD1 3.38Å; D121-V130 VanDerWaalsContact C-CG1 3.46Å; D121-V130 HydrophobicContact CB-CG1 3.78Å; D121-V130 WeakPolarHBondContact O-CG1 3.48Å; D121-E131 WeakPolarHBondContact CB-O 3.45Å; D121-N133 VanDerWaalsContact CG-N 3.27Å; D121-N133 VanDerWaalsContact OD1-CA 3.24Å; D121-N133 WeakPolarHBondContact OD1-CA 3.33Å; D121-N133 PolarHBondContact OD1-N 2.82Å; D121-N133 VanDerWaalsContact OD1-N 3.12Å; D121-N133 PolarHBondContact OD2-N 3.45Å; D121-N133 VanDerWaalsContact OD2-N 3.15Å; D121-K137 IonicContact OD1-NZ 3.85Å; D121-K137 PolarHBondContact OD1-NZ 2.77Å; D121-M184 CarbonylContact O-C 3.57Å; D121-M184 WeakPolarHBondContact O-CA 3.41Å; D121-I185 PolarHBondContact N-O 3.05Å; D121-I185 PolarHBondContact O-N 3Å; D121-R187 VanDerWaalsContact CG-NH1 3.35Å; D121-R187 WeakPolarHBondContact OD2-CD 3.46Å; D121-R187 IonicContact OD2-CZ 2.69Å; D121-R187 IonicContact OD2-NH1 3.67Å; D121-R187 PolarHBondContact OD2-NH1 2.89Å
122V98.9Very high98.3Very high2 Ų236.4 Ų36.41%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-143.5160.2-178.8-66.20000108.4A124 K137 A149 M184 V290 F292V122-A124 VanDerWaalsContact C-N 3.35Å; V122-A124 HydrophobicContact CG2-CB 4.39Å; V122-A124 PolarHBondContact O-N 2.89Å; V122-K137 HydrophobicContact CG2-CB 4.16Å; V122-A149 HydrophobicContact CB-CB 3.9Å; V122-A149 HydrophobicContact CG2-CB 3.72Å; V122-M184 HydrophobicContact CG1-CB 4.05Å; V122-M184 HydrophobicContact CG1-CG 3.8Å; V122-V290 HydrophobicContact CG1-CB 3.84Å; V122-V290 HydrophobicContact CG1-CG1 3.96Å; V122-V290 HydrophobicContact CG1-CG2 3.78Å; V122-V290 HydrophobicContact CG2-CB 3.88Å; V122-V290 HydrophobicContact CG2-CG1 3.9Å; V122-F292 HydrophobicContact CB-CE1 4.48Å; V122-F292 HydrophobicContact CB-CZ 4.02Å; V122-F292 HydrophobicContact CG1-CE1 4.25Å; V122-F292 HydrophobicContact CG1-CE2 3.68Å; V122-F292 HydrophobicContact CG1-CZ 3.35Å
123D98.8Very high98.3Very high18 Ų1837.2 Ų37.210%0.09620%0.199CC..  trans-67.785.8171.6172.316.9000110.2R126 D127 G128 E131 A149D123-R126 WeakPolarHBondContact OD1-CA 3.34Å; D123-R126 PolarHBondContact OD1-N 3.21Å; D123-D127 PolarHBondContact OD1-N 2.81Å; D123-D127 VanDerWaalsContact OD1-N 3.11Å; D123-G128 VanDerWaalsContact OD2-CA 3.25Å; D123-G128 WeakPolarHBondContact OD2-CA 3.29Å; D123-G128 PolarHBondContact OD2-N 3.16Å; D123-E131 VanDerWaalsContact CA-OE2 3.25Å; D123-E131 WeakPolarHBondContact CA-OE2 3.42Å; D123-A149 VanDerWaalsContact O-CA 3.23Å; D123-A149 WeakPolarHBondContact O-CA 3.48Å; D123-A149 WeakPolarHBondContact O-CB 3.42Å
124A98.8Very high98.3Very high0 Ų037.5 Ų37.50%020%0.201CC..  trans-94.8-18.3-176.800000113.1V122 E131 N134 K137 Q147 G148V122-A124 VanDerWaalsContact C-N 3.35Å; V122-A124 HydrophobicContact CG2-CB 4.39Å; V122-A124 PolarHBondContact O-N 2.89Å; A124-E131 WeakPolarHBondContact CA-OE1 3.35Å; A124-E131 VanDerWaalsContact CB-OE1 3.29Å; A124-E131 WeakPolarHBondContact CB-OE1 3.26Å; A124-E131 PolarHBondContact N-OE1 3.23Å; A124-E131 PolarHBondContact N-OE2 2.91Å; A124-N134 HydrophobicContact CB-CB 4.2Å; A124-K137 HydrophobicContact CB-CB 4.2Å; A124-Q147 CarbonylContact O-C 3.59Å; A124-Q147 VanDerWaalsContact O-CA 3.29Å; A124-Q147 WeakPolarHBondContact O-CA 3.43Å; A124-Q147 WeakPolarHBondContact O-CB 3.49Å; A124-G148 PolarHBondContact O-N 3.2Å
125D98.4Very high98.3Very high73 Ų7341.9 Ų41.939%0.3923%0.23SC..SBendtrans-90.5-5.9173.166.418.3000114.2E131D125-E131 PolarHBondContact N-OE1 3.42Å
126R98.5Very high98.3Very high20 Ų2046.2 Ų46.28%0.07525%0.249CC..SBendtrans72.937.4166.2-51.9168.4-177.2162.3-3.8113D123 T141 G146 Q147 G148 I150 P361 W661D123-R126 WeakPolarHBondContact OD1-CA 3.34Å; D123-R126 PolarHBondContact OD1-N 3.21Å; R126-T141 PolarHBondContact NH2-O 3.01Å; R126-G146 PolarHBondContact NH1-O 2.82Å; R126-Q147 PolarHBondContact NH2-O 2.61Å; R126-G148 PolarHBondContact NE-O 2.85Å; R126-G148 PolarHBondContact NH2-O 3.46Å; R126-I150 HydrophobicContact CG-CD1 4.32Å; R126-P361 HydrophobicContact CB-CG 3.67Å; R126-P361 HydrophobicContact CG-CG 4.37Å; R126-P361 WeakPolarHBondContact O-CB 3.49Å; R126-W661 VanDerWaalsContact CD-CD1 3.49Å
127D97.9Very high98.3Very high108 Ų10846.5 Ų46.558%0.57825%0.25SS*.SBendtrans-99.1-4.5177.384-4.8000113.9D123 V129D123-D127 PolarHBondContact OD1-N 2.81Å; D123-D127 VanDerWaalsContact OD1-N 3.11Å; D127-V129 WeakPolarHBondContact OD1-CA 3.23Å; D127-V129 WeakPolarHBondContact OD1-CB 3.39Å; D127-V129 PolarHBondContact OD1-N 3.36Å
128G96.3Very high98.3Very high34 Ų3445.2 Ų45.235%0.35125%0.253SS..SBendtrans932.5-178.600000114.5D123D123-G128 VanDerWaalsContact OD2-CA 3.25Å; D123-G128 WeakPolarHBondContact OD2-CA 3.29Å; D123-G128 PolarHBondContact OD2-N 3.16Å
129V98.3Very high98.3Very high96 Ų9647.1 Ų47.158%0.58227%0.267SS*.SBendtrans-125.5135.8-179.6-175.70000110.6D127 E131D127-V129 WeakPolarHBondContact OD1-CA 3.23Å; D127-V129 WeakPolarHBondContact OD1-CB 3.39Å; D127-V129 PolarHBondContact OD1-N 3.36Å; V129-E131 PolarHBondContact O-N 3.18Å; V129-E131 VanDerWaalsContact O-N 3.11Å
130V98.8Very high98.3Very high12 Ų1248.2 Ų48.27%0.07327%0.271CS..  trans-76101.6179178.60000111.2D121 Q183 I185 R187D121-V130 VanDerWaalsContact C-CG1 3.46Å; D121-V130 HydrophobicContact CB-CG1 3.78Å; D121-V130 WeakPolarHBondContact O-CG1 3.48Å; V130-Q183 HydrophobicContact CG2-CB 3.71Å; V130-Q183 WeakPolarHBondContact CG2-O 3.5Å; V130-I185 HydrophobicContact CB-CD1 3.84Å; V130-I185 HydrophobicContact CB-CG1 4.27Å; V130-I185 HydrophobicContact CG1-CB 4.19Å; V130-I185 HydrophobicContact CG1-CD1 3.92Å; V130-I185 HydrophobicContact CG1-CG1 3.99Å; V130-I185 HydrophobicContact CG2-CD1 4.33Å; V130-I185 HydrophobicContact CG2-CG1 4.44Å; V130-R187 PolarHBondContact O-NH2 3.47Å
131E98.6Very high98.3Very high35 Ų3551.2 Ų51.216%0.16429%0.289CS..  trans-69.2166.1176.777.3-81.5-159.800112.8D121 D123 A124 D125 V129 N134 R187D121-E131 WeakPolarHBondContact CB-O 3.45Å; D123-E131 VanDerWaalsContact CA-OE2 3.25Å; D123-E131 WeakPolarHBondContact CA-OE2 3.42Å; A124-E131 WeakPolarHBondContact CA-OE1 3.35Å; A124-E131 VanDerWaalsContact CB-OE1 3.29Å; A124-E131 WeakPolarHBondContact CB-OE1 3.26Å; A124-E131 PolarHBondContact N-OE1 3.23Å; A124-E131 PolarHBondContact N-OE2 2.91Å; D125-E131 PolarHBondContact N-OE1 3.42Å; V129-E131 PolarHBondContact O-N 3.18Å; V129-E131 VanDerWaalsContact O-N 3.11Å; E131-N134 HydrophobicContact CG-CB 3.69Å; E131-N134 WeakPolarHBondContact OE1-CB 3.41Å; E131-N134 VanDerWaalsContact OE1-CG 3.29Å; E131-N134 PolarHBondContact OE1-ND2 2.9Å; E131-R187 PolarHBondContact O-NH1 3.1Å
132K98.4Very high98.3Very high157 Ų15754.1 Ų54.168%0.68330%0.3SS*.SBendtrans-89.3117.2-178.6-68.9-173.9178.2-174.50110.9N134K132-N134 PolarHBondContact O-N 2.99Å
133N97.8Very high98.2Very high90 Ų9054.1 Ų54.148%0.48130%0.3SS..  trans44.354.7172.7-163.417.7000114.9S119 D121 K137S119-N133 VanDerWaalsContact OG-CB 3.26Å; S119-N133 WeakPolarHBondContact OG-CB 3.32Å; S119-N133 VanDerWaalsContact OG-CG 3.28Å; S119-N133 PolarHBondContact OG-OD1 3.47Å; D121-N133 VanDerWaalsContact CG-N 3.27Å; D121-N133 VanDerWaalsContact OD1-CA 3.24Å; D121-N133 WeakPolarHBondContact OD1-CA 3.33Å; D121-N133 PolarHBondContact OD1-N 2.82Å; D121-N133 VanDerWaalsContact OD1-N 3.12Å; D121-N133 PolarHBondContact OD2-N 3.45Å; D121-N133 VanDerWaalsContact OD2-N 3.15Å; N133-K137 WeakPolarHBondContact OD1-CE 3.48Å; N133-K137 PolarHBondContact OD1-NZ 2.97Å
134N98.1Very high98.1Very high16 Ų1657.6 Ų57.69%0.08632%0.324CS..  trans-57.9125.8175.2-177-34.7000110.3A124 E131 K132 K136 K137 Q147A124-N134 HydrophobicContact CB-CB 4.2Å; E131-N134 HydrophobicContact CG-CB 3.69Å; E131-N134 WeakPolarHBondContact OE1-CB 3.41Å; E131-N134 VanDerWaalsContact OE1-CG 3.29Å; E131-N134 PolarHBondContact OE1-ND2 2.9Å; K132-N134 PolarHBondContact O-N 2.99Å; N134-K136 PolarHBondContact O-N 2.79Å; N134-K136 VanDerWaalsContact O-N 3.08Å; N134-K136 PolarHBondContact OD1-N 2.89Å; N134-K137 HydrophobicContact CB-CB 4.4Å; N134-K137 WeakPolarHBondContact O-CB 3.38Å; N134-K137 WeakPolarHBondContact O-CD 3.42Å; N134-K137 WeakPolarHBondContact O-CG 3.44Å; N134-K137 PolarHBondContact O-N 3.48Å; N134-K137 VanDerWaalsContact O-N 3.13Å; N134-Q147 PolarHBondContact ND2-OE1 3Å; N134-Q147 PolarHBondContact OD1-OE1 3.35Å
135P97Very high98.1Very high126 Ų12665.3 Ų65.382%0.81836%0.36SS*.THydrogen-bonded Turntrans-64.4-16.2-176.527-36.6000114
136K97.9Very high98Very high92 Ų9262.2 Ų62.240%0.435%0.345SS..THydrogen-bonded Turntrans-100.50.2179.6-64-176.2-170.3164.30113.9N134 A138 S139 Q147N134-K136 PolarHBondContact O-N 2.79Å; N134-K136 VanDerWaalsContact O-N 3.08Å; N134-K136 PolarHBondContact OD1-N 2.89Å; K136-A138 PolarHBondContact O-N 2.95Å; K136-S139 PolarHBondContact O-N 2.97Å; K136-S139 VanDerWaalsContact O-O 3.12Å; K136-S139 PolarHBondContact O-OG 3.41Å; K136-Q147 HydrophobicContact CB-CB 4.09Å; K136-Q147 HydrophobicContact CD-CB 3.95Å; K136-Q147 HydrophobicContact CD-CG 4.14Å; K136-Q147 VanDerWaalsContact NZ-NE2 3.2Å
137K98.3Very high98Very high6 Ų663.2 Ų63.23%0.02635%0.351CS..THydrogen-bonded Turntrans-56.9-23.4-178.272.9-170-176.1178.70114.8S119 L120 D121 V122 A124 N133 N134 S139 D288 V290 I291S119-K137 PolarHBondContact OG-NZ 2.92Å; L120-K137 WeakPolarHBondContact O-CD 3.43Å; L120-K137 WeakPolarHBondContact O-CE 3.38Å; L120-K137 PolarHBondContact O-NZ 3.02Å; D121-K137 IonicContact OD1-NZ 3.85Å; D121-K137 PolarHBondContact OD1-NZ 2.77Å; V122-K137 HydrophobicContact CG2-CB 4.16Å; A124-K137 HydrophobicContact CB-CB 4.2Å; N133-K137 WeakPolarHBondContact OD1-CE 3.48Å; N133-K137 PolarHBondContact OD1-NZ 2.97Å; N134-K137 HydrophobicContact CB-CB 4.4Å; N134-K137 WeakPolarHBondContact O-CB 3.38Å; N134-K137 WeakPolarHBondContact O-CD 3.42Å; N134-K137 WeakPolarHBondContact O-CG 3.44Å; N134-K137 PolarHBondContact O-N 3.48Å; N134-K137 VanDerWaalsContact O-N 3.13Å; K137-S139 VanDerWaalsContact C-N 3.3Å; K137-S139 PolarHBondContact O-N 2.81Å; K137-D288 VanDerWaalsContact CE-OD1 3.23Å; K137-D288 WeakPolarHBondContact CE-OD1 3.49Å; K137-D288 WeakPolarHBondContact CE-OD2 3.49Å; K137-D288 IonicContact NZ-OD1 3.74Å; K137-D288 IonicContact NZ-OD2 2.83Å; K137-D288 PolarHBondContact NZ-OD2 3.12Å; K137-V290 HydrophobicContact CB-CG1 4.31Å; K137-V290 HydrophobicContact CD-CG1 4.01Å; K137-V290 HydrophobicContact CG-CG1 4.08Å; K137-V290 WeakPolarHBondContact O-CA 3.31Å; K137-I291 PolarHBondContact O-N 3.26Å
138A98.4Very high98Very high51 Ų5158.1 Ų58.142%0.42132%0.323SS..THydrogen-bonded Turntrans-88.513.617800000113.9K136 T289 I291K136-A138 PolarHBondContact O-N 2.95Å; A138-T289 WeakPolarHBondContact CB-O 3.27Å; A138-I291 WeakPolarHBondContact O-CD1 3.41Å
139S98.1Very high98.1Very high49 Ų4956.6 Ų56.634%0.34331%0.307SS..  trans-144.9163.3-179.966.80000110.4K136 K137 G148K136-S139 PolarHBondContact O-N 2.97Å; K136-S139 VanDerWaalsContact O-O 3.12Å; K136-S139 PolarHBondContact O-OG 3.41Å; K137-S139 VanDerWaalsContact C-N 3.3Å; K137-S139 PolarHBondContact O-N 2.81Å; S139-G148 WeakPolarHBondContact O-CA 3.15Å
140W98.8Very high98.2Very high25 Ų2552.3 Ų52.310%0.09528%0.281CS..  trans-134.7127.6175-158.9100.5000111W142 Q147 G148 A149 L265 I291 R293 W660 W661W140-W142 AromaticContact CH2-CD2 3.65Å; W140-W142 HydrophobicContact CH2-CD2 3.65Å; W140-W142 AromaticContact CH2-CE2 3.92Å; W140-W142 AromaticContact CH2-CE3 3.67Å; W140-W142 HydrophobicContact CH2-CE3 3.67Å; W140-W142 HydrophobicContact CH2-CG 4.2Å; W140-W142 HydrophobicContact CH2-CH2 4.24Å; W140-W142 HydrophobicContact CH2-CZ2 4.2Å; W140-W142 AromaticContact CH2-CZ3 3.99Å; W140-W142 HydrophobicContact CH2-CZ3 3.99Å; W140-W142 HydrophobicContact CZ3-CB 4.22Å; W140-W142 AromaticContact CZ3-CD1 3.71Å; W140-W142 AromaticContact CZ3-CD2 3.36Å; W140-W142 HydrophobicContact CZ3-CD2 3.36Å; W140-W142 AromaticContact CZ3-CE2 3.46Å; W140-W142 VanDerWaalsContact CZ3-CE2 3.46Å; W140-W142 AromaticContact CZ3-CE3 3.9Å; W140-W142 HydrophobicContact CZ3-CE3 3.9Å; W140-W142 AromaticContact CZ3-CG 3.52Å; W140-W142 HydrophobicContact CZ3-CG 3.52Å; W140-W142 HydrophobicContact CZ3-CZ2 4.07Å; W140-W142 HydrophobicContact CZ3-CZ3 4.47Å; W140-W142 AromaticContact CZ3-NE1 3.67Å; W140-Q147 CarbonylContact C-O 3.54Å; W140-Q147 WeakPolarHBondContact CA-O 3.44Å; W140-G148 VanDerWaalsContact CD1-C 3.48Å; W140-G148 PolarHBondContact NE1-O 3.03Å; W140-A149 VanDerWaalsContact CD1-O 3.27Å; W140-A149 PolarHBondContact NE1-O 3.38Å; W140-L265 HydrophobicContact CB-CD2 3.74Å; W140-L265 HydrophobicContact CG-CD2 4.01Å; W140-I291 HydrophobicContact CB-CG2 4.1Å; W140-R293 HydrophobicContact CD2-CB 3.9Å; W140-R293 VanDerWaalsContact CD2-NE 3.33Å; W140-R293 VanDerWaalsContact CE2-CB 3.44Å; W140-R293 HydrophobicContact CG-CB 4.01Å; W140-R293 VanDerWaalsContact CH2-NE 3.34Å; W140-R293 HydrophobicContact CZ2-CB 3.97Å; W140-R293 VanDerWaalsContact CZ2-CD 3.41Å; W140-R293 HydrophobicContact CZ2-CG 4.24Å; W140-R293 VanDerWaalsContact NE1-CB 3.26Å; W140-W660 HydrophobicContact CH2-CH2 4.46Å; W140-W660 HydrophobicContact CH2-CZ3 4.03Å; W140-W660 HydrophobicContact CZ2-CH2 4.01Å; W140-W660 HydrophobicContact CZ2-CZ3 4.05Å; W140-W661 HydrophobicContact CH2-CB 4.4Å; W140-W661 HydrophobicContact CZ2-CB 4.23Å
141T98.7Very high98.2Very high64 Ų6451.7 Ų51.739%0.39328%0.278SS..  trans-131.9139.7-176.546.90000112R126 G146 Q147R126-T141 PolarHBondContact NH2-O 3.01Å; T141-G146 VanDerWaalsContact O-CA 3.3Å; T141-G146 WeakPolarHBondContact O-CA 3.48Å; T141-G146 WeakPolarHBondContact OG1-CA 3.2Å; T141-Q147 PolarHBondContact N-O 2.83Å; T141-Q147 PolarHBondContact OG1-N 2.89Å; T141-Q147 PolarHBondContact OG1-O 3.44Å
142W98.7Very high98.2Very high62 Ų6250 Ų5024%0.23527%0.27CS..  trans-76.6161.5177.1-72.1101.9000111.9W140 V456 W660 M663 P665W140-W142 AromaticContact CH2-CD2 3.65Å; W140-W142 HydrophobicContact CH2-CD2 3.65Å; W140-W142 AromaticContact CH2-CE2 3.92Å; W140-W142 AromaticContact CH2-CE3 3.67Å; W140-W142 HydrophobicContact CH2-CE3 3.67Å; W140-W142 HydrophobicContact CH2-CG 4.2Å; W140-W142 HydrophobicContact CH2-CH2 4.24Å; W140-W142 HydrophobicContact CH2-CZ2 4.2Å; W140-W142 AromaticContact CH2-CZ3 3.99Å; W140-W142 HydrophobicContact CH2-CZ3 3.99Å; W140-W142 HydrophobicContact CZ3-CB 4.22Å; W140-W142 AromaticContact CZ3-CD1 3.71Å; W140-W142 AromaticContact CZ3-CD2 3.36Å; W140-W142 HydrophobicContact CZ3-CD2 3.36Å; W140-W142 AromaticContact CZ3-CE2 3.46Å; W140-W142 VanDerWaalsContact CZ3-CE2 3.46Å; W140-W142 AromaticContact CZ3-CE3 3.9Å; W140-W142 HydrophobicContact CZ3-CE3 3.9Å; W140-W142 AromaticContact CZ3-CG 3.52Å; W140-W142 HydrophobicContact CZ3-CG 3.52Å; W140-W142 HydrophobicContact CZ3-CZ2 4.07Å; W140-W142 HydrophobicContact CZ3-CZ3 4.47Å; W140-W142 AromaticContact CZ3-NE1 3.67Å; W142-V456 HydrophobicContact CH2-CG1 3.83Å; W142-V456 HydrophobicContact CZ3-CG1 3.93Å; W142-W660 AromaticContact CH2-CE3 3.83Å; W142-W660 HydrophobicContact CH2-CE3 3.83Å; W142-W660 AromaticContact CH2-CZ3 3.62Å; W142-W660 HydrophobicContact CH2-CZ3 3.62Å; W142-W660 AromaticContact CZ3-CE3 3.58Å; W142-W660 HydrophobicContact CZ3-CE3 3.58Å; W142-W660 AromaticContact CZ3-CZ3 3.65Å; W142-W660 HydrophobicContact CZ3-CZ3 3.65Å; W142-M663 WeakPolarHBondContact CB-O 3.49Å; W142-P665 HydrophobicContact CD2-CG 3.64Å; W142-P665 HydrophobicContact CE3-CG 3.64Å; W142-P665 HydrophobicContact CG-CG 4.36Å; W142-P665 HydrophobicContact CH2-CG 3.74Å; W142-P665 HydrophobicContact CZ2-CG 3.75Å; W142-P665 HydrophobicContact CZ3-CG 3.66Å
143G97.9Very high98.2Very high2 Ų242.8 Ų42.82%0.02124%0.239CC..SBendtrans99.6173.1171.200000114.3E145 G146 W661 H662 M663G143-E145 VanDerWaalsContact C-N 3.28Å; G143-E145 PolarHBondContact O-N 2.96Å; G143-G146 WeakPolarHBondContact O-CA 3.47Å; G143-G146 PolarHBondContact O-N 3.33Å; G143-W661 PolarHBondContact N-O 2.93Å; G143-W661 VanDerWaalsContact N-O 3.08Å; G143-H662 WeakPolarHBondContact CA-O 3.1Å; G143-M663 PolarHBondContact N-O 3.07Å; G143-M663 VanDerWaalsContact N-O 3.09Å
144P97.2Very high98.2Very high91 Ų9138.5 Ų38.559%0.59122%0.216SC*.THydrogen-bonded Turntrans-63.4-32.2-178.525.1-34000113.1G146P144-G146 VanDerWaalsContact C-N 3.31Å
145E97.6Very high98.2Very high163 Ų16337.9 Ų37.976%0.76221%0.213SC*.THydrogen-bonded Turntrans-90.51.8174.8-55.4-57136.100112.8G143G143-E145 VanDerWaalsContact C-N 3.28Å; G143-E145 PolarHBondContact O-N 2.96Å
146G96.8Very high98.3Very high7 Ų731.9 Ų31.97%0.07217%0.174CC..  trans-70.4142.9-177.900000111.4R126 T141 G143 P144R126-G146 PolarHBondContact NH1-O 2.82Å; T141-G146 VanDerWaalsContact O-CA 3.3Å; T141-G146 WeakPolarHBondContact O-CA 3.48Å; T141-G146 WeakPolarHBondContact OG1-CA 3.2Å; G143-G146 WeakPolarHBondContact O-CA 3.47Å; G143-G146 PolarHBondContact O-N 3.33Å; P144-G146 VanDerWaalsContact C-N 3.31Å
147Q98.2Very high98.2Very high42 Ų4229.2 Ų29.220%0.19616%0.161CC..  trans-127.3167.1177.1-69.7-172.931.900111.3A124 R126 N134 K136 W140 T141A124-Q147 CarbonylContact O-C 3.59Å; A124-Q147 VanDerWaalsContact O-CA 3.29Å; A124-Q147 WeakPolarHBondContact O-CA 3.43Å; A124-Q147 WeakPolarHBondContact O-CB 3.49Å; R126-Q147 PolarHBondContact NH2-O 2.61Å; N134-Q147 PolarHBondContact ND2-OE1 3Å; N134-Q147 PolarHBondContact OD1-OE1 3.35Å; K136-Q147 HydrophobicContact CB-CB 4.09Å; K136-Q147 HydrophobicContact CD-CB 3.95Å; K136-Q147 HydrophobicContact CD-CG 4.14Å; K136-Q147 VanDerWaalsContact NZ-NE2 3.2Å; W140-Q147 CarbonylContact C-O 3.54Å; W140-Q147 WeakPolarHBondContact CA-O 3.44Å; T141-Q147 PolarHBondContact N-O 2.83Å; T141-Q147 PolarHBondContact OG1-N 2.89Å; T141-Q147 PolarHBondContact OG1-O 3.44Å
148G98.3Very high97.9Very high0 Ų030.3 Ų30.30%017%0.166CC..  trans116.8140.4-174.300000110.5A124 R126 S139 W140A124-G148 PolarHBondContact O-N 3.2Å; R126-G148 PolarHBondContact NE-O 2.85Å; R126-G148 PolarHBondContact NH2-O 3.46Å; S139-G148 WeakPolarHBondContact O-CA 3.15Å; W140-G148 VanDerWaalsContact CD1-C 3.48Å; W140-G148 PolarHBondContact NE1-O 3.03Å
149A98.8Very high97.4Very high2 Ų229 Ų292%0.01715%0.154CC..EExtended strand (participates in β ladder)trans-69.9156.9-172.400000112.7V122 D123 W140 I291 F292 R293V122-A149 HydrophobicContact CB-CB 3.9Å; V122-A149 HydrophobicContact CG2-CB 3.72Å; D123-A149 VanDerWaalsContact O-CA 3.23Å; D123-A149 WeakPolarHBondContact O-CA 3.48Å; D123-A149 WeakPolarHBondContact O-CB 3.42Å; W140-A149 VanDerWaalsContact CD1-O 3.27Å; W140-A149 PolarHBondContact NE1-O 3.38Å; A149-I291 PolarHBondContact N-O 3.38Å; A149-F292 HydrophobicContact CB-CD1 3.5Å; A149-F292 HydrophobicContact CB-CE1 3.54Å; A149-F292 HydrophobicContact CB-CG 4.21Å; A149-F292 HydrophobicContact CB-CZ 4.27Å; A149-F292 WeakPolarHBondContact O-CA 3.44Å; A149-R293 PolarHBondContact O-N 2.82Å
150I98.9Very high96.7Very high6 Ų630.8 Ų30.83%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-118.5140.9-179.2-66.8171.3000108.7R126 S182 R293 A295 A360 P361 W660 W661R126-I150 HydrophobicContact CG-CD1 4.32Å; I150-S182 PolarHBondContact O-OG 2.79Å; I150-R293 WeakPolarHBondContact CA-O 3.43Å; I150-A295 HydrophobicContact CG2-CB 4.3Å; I150-A360 HydrophobicContact CB-CB 4.48Å; I150-A360 HydrophobicContact CG2-CB 3.73Å; I150-P361 HydrophobicContact CD1-CG 4.39Å; I150-W660 HydrophobicContact CD1-CH2 4.31Å; I150-W660 HydrophobicContact CD1-CZ2 3.92Å; I150-W660 HydrophobicContact CG1-CH2 4.3Å; I150-W660 HydrophobicContact CG1-CZ2 4.13Å; I150-W660 HydrophobicContact CG2-CH2 4.46Å; I150-W660 HydrophobicContact CG2-CZ2 3.71Å; I150-W661 HydrophobicContact CD1-CB 3.73Å; I150-W661 HydrophobicContact CD1-CD2 3.46Å; I150-W661 VanDerWaalsContact CD1-CD2 3.46Å; I150-W661 HydrophobicContact CD1-CE3 3.51Å; I150-W661 HydrophobicContact CD1-CG 3.59Å; I150-W661 HydrophobicContact CD1-CZ3 4.24Å
151L98.9Very high95.9Very high0 Ų040.7 Ų40.70%020%0.201CC..EExtended strand (participates in β ladder)trans-126.6134.4-178.8-177.760.3000110.3V212 V252 V266 F292 R293 I294 A295L151-V212 HydrophobicContact CD2-CG1 3.87Å; L151-V252 HydrophobicContact CD1-CB 4.09Å; L151-V252 HydrophobicContact CD1-CG1 3.9Å; L151-V252 WeakPolarHBondContact CD1-O 3.47Å; L151-V252 HydrophobicContact CD2-CG1 3.91Å; L151-V266 HydrophobicContact CD2-CG2 4.39Å; L151-F292 HydrophobicContact CB-CB 3.96Å; L151-F292 HydrophobicContact CB-CD1 3.89Å; L151-F292 HydrophobicContact CB-CG 4.21Å; L151-F292 HydrophobicContact CD2-CB 4.34Å; L151-R293 PolarHBondContact N-O 3.1Å; L151-I294 HydrophobicContact CB-CG1 4.42Å; L151-I294 HydrophobicContact CD2-CG1 4.21Å; L151-I294 CarbonylContact O-C 3.48Å; L151-I294 VanDerWaalsContact O-CA 3.27Å; L151-I294 WeakPolarHBondContact O-CA 3.48Å; L151-A295 PolarHBondContact O-N 2.81Å
152L98.9Very high95.4Very high0 Ų040.5 Ų40.50%020%0.198CC..  trans-84.9148.1172.6-63.8-177.4000110.8G254 A295 I358 A360 K363 F365L152-G254 VanDerWaalsContact O-CA 3.27Å; L152-G254 WeakPolarHBondContact O-CA 3.33Å; L152-G254 PolarHBondContact O-N 3.03Å; L152-A295 HydrophobicContact CD2-CB 3.88Å; L152-I358 HydrophobicContact CB-CD1 4.02Å; L152-I358 HydrophobicContact CD2-CB 4.19Å; L152-I358 HydrophobicContact CD2-CD1 3.94Å; L152-I358 HydrophobicContact CD2-CG1 3.96Å; L152-I358 HydrophobicContact CG-CD1 4.41Å; L152-A360 HydrophobicContact CD1-CB 4.26Å; L152-A360 HydrophobicContact CD2-CB 3.63Å; L152-A360 HydrophobicContact CG-CB 3.76Å; L152-K363 HydrophobicContact CD1-CB 4.15Å; L152-F365 HydrophobicContact CD1-CD1 4.4Å; L152-F365 HydrophobicContact CD1-CE1 3.93Å
153V98.9Very high94.7Very high4 Ų442 Ų422%0.02422%0.215CC..BIsolated β-bridgetrans-76.6121.2161.8-174.80000107.7C155 G254 F257 I294 I358V153-C155 HydrophobicContact CG1-CB 3.97Å; V153-C155 PolarHBondContact O-N 3.01Å; V153-C155 PolarHBondContact O-SG 3.36Å; V153-C155 VanDerWaalsContact O-SG 3.4Å; V153-G254 VanDerWaalsContact CA-O 3.32Å; V153-G254 WeakPolarHBondContact CA-O 3.45Å; V153-F257 HydrophobicContact CB-CD2 4.15Å; V153-F257 HydrophobicContact CB-CE1 4.27Å; V153-F257 HydrophobicContact CB-CE2 3.78Å; V153-F257 HydrophobicContact CB-CZ 3.84Å; V153-F257 HydrophobicContact CG1-CD2 4.05Å; V153-F257 HydrophobicContact CG1-CE2 3.81Å; V153-F257 HydrophobicContact CG1-CZ 4.38Å; V153-F257 HydrophobicContact CG2-CB 4.48Å; V153-F257 HydrophobicContact CG2-CD1 3.84Å; V153-F257 HydrophobicContact CG2-CD2 3.85Å; V153-F257 HydrophobicContact CG2-CE1 3.92Å; V153-F257 HydrophobicContact CG2-CE2 3.93Å; V153-F257 HydrophobicContact CG2-CG 3.81Å; V153-F257 HydrophobicContact CG2-CZ 3.96Å; V153-I294 HydrophobicContact CG2-CG2 3.32Å; V153-I358 WeakPolarHBondContact O-CD1 3.47Å
154N98.6Very high94.5Very high1 Ų148.1 Ų48.11%0.00524%0.241CC..  trans-80.766.6-177.2-166.924.1000111.1D156 C167 D177 E253 G254N154-D156 PolarHBondContact OD1-OD1 3.23Å; N154-C167 HydrophobicContact CB-CB 4.24Å; N154-C167 WeakPolarHBondContact O-CB 3.44Å; N154-C167 PolarHBondContact O-N 3.15Å; N154-C167 PolarHBondContact O-SG 3.49Å; N154-D177 PolarHBondContact ND2-OD1 3.42Å; N154-E253 HydrophobicContact CB-CB 3.87Å; N154-E253 WeakPolarHBondContact CB-OE2 3.41Å; N154-E253 PolarHBondContact ND2-OE2 3.26Å; N154-G254 PolarHBondContact N-O 3.32Å
155C98.2Very high94.4Very high3 Ų344.7 Ų44.72%0.0222%0.217CC..  trans-102.97.3-166.5590000114.3V153 F257 G391 Y392V153-C155 HydrophobicContact CG1-CB 3.97Å; V153-C155 PolarHBondContact O-N 3.01Å; V153-C155 PolarHBondContact O-SG 3.36Å; V153-C155 VanDerWaalsContact O-SG 3.4Å; C155-F257 HydrophobicContact CB-CE2 4.48Å; C155-G391 CarbonylContact O-C 3.59Å; C155-G391 VanDerWaalsContact O-CA 3.26Å; C155-G391 WeakPolarHBondContact O-CA 3.46Å; C155-Y392 WeakPolarHBondContact CB-O 3.48Å; C155-Y392 PolarHBondContact O-N 3.46Å
156D97.4Very high94.3Very high0 Ų037.4 Ų37.40%018%0.184CC..SBendtrans-90.4-164.5171.376.7-49.4000110.5N154 E165 D166 F365 G387 D389N154-D156 PolarHBondContact OD1-OD1 3.23Å; D156-E165 CarbonylContact O-C 3.58Å; D156-E165 VanDerWaalsContact O-CA 3.28Å; D156-E165 WeakPolarHBondContact O-CA 3.45Å; D156-D166 PolarHBondContact O-N 2.9Å; D156-F365 HydrophobicContact CB-CD2 4.45Å; D156-F365 HydrophobicContact CB-CE2 4Å; D156-F365 HydrophobicContact CB-CZ 4.39Å; D156-G387 WeakPolarHBondContact CB-O 3.46Å; D156-D389 PolarHBondContact OD2-N 3.4Å
157R96.1Very high94.3Very high35 Ų3537.2 Ų37.213%0.13218%0.181CC..  trans-148.6107.3-176.2-177.7-173.458.8172.6-6.3112.1L162 D166 L386 G387 P388R157-L162 WeakPolarHBondContact CD-O 3.48Å; R157-L162 PolarHBondContact NH1-O 3.49Å; R157-D166 WeakPolarHBondContact CA-OD2 3.49Å; R157-L386 HydrophobicContact CB-CD1 3.79Å; R157-L386 HydrophobicContact CB-CD2 4.38Å; R157-L386 HydrophobicContact CB-CG 3.81Å; R157-L386 PolarHBondContact NH2-O 3.3Å; R157-G387 PolarHBondContact N-O 3.17Å; R157-G387 CarbonylContact O-C 3.58Å; R157-G387 WeakPolarHBondContact O-CA 3.35Å; R157-P388 VanDerWaalsContact O-CD 3.22Å; R157-P388 WeakPolarHBondContact O-CD 3.39Å
158E92.8Very high94.2Very high29 Ų2941 Ų4114%0.13619%0.194CC..SBendtrans-73.6-38.5178.3-73-61.1143.600113.4D166 E176 D177E158-D166 WeakPolarHBondContact CB-OD2 3.45Å; E158-D166 WeakPolarHBondContact CG-OD2 3.16Å; E158-D166 PolarHBondContact N-OD2 3.13Å; E158-E176 VanDerWaalsContact OE2-CB 3.24Å; E158-E176 WeakPolarHBondContact OE2-CB 3.47Å; E158-D177 HydrophobicContact CG-CB 3.94Å
159T88.1Confident94.1Very high25 Ų2543.1 Ų43.115%0.15321%0.205CC..  trans-107.3110.5-174.959.80000112.6W161 L162T159-W161 PolarHBondContact O-N 3Å; T159-W161 VanDerWaalsContact O-N 3.12Å; T159-L162 PolarHBondContact O-N 2.99Å; T159-L162 VanDerWaalsContact O-N 3.15Å; T159-L162 WeakPolarHBondContact OG1-CD1 3.43Å
160P82.8Confident94Very high85 Ų8545.2 Ų45.255%0.55221%0.214SC*.THydrogen-bonded Turntrans-69.3-16.6-169.826.3-35.3000114.6L162P160-L162 VanDerWaalsContact C-N 3.3Å
161W82.3Confident93.9Very high233 Ų23350.7 Ų50.788%0.88324%0.238SC*.THydrogen-bonded Turntrans-78.3-13.5177.2-57.2-71.7000113.6T159T159-W161 PolarHBondContact O-N 3Å; T159-W161 VanDerWaalsContact O-N 3.12Å
162L87.4Confident93.8Very high61 Ų6151.2 Ų51.232%0.31924%0.241SC..SBendtrans-89.8138.7170.8-62.5-178.9000109.4R157 T159 P160 K164 Y173R157-L162 WeakPolarHBondContact CD-O 3.48Å; R157-L162 PolarHBondContact NH1-O 3.49Å; T159-L162 PolarHBondContact O-N 2.99Å; T159-L162 VanDerWaalsContact O-N 3.15Å; T159-L162 WeakPolarHBondContact OG1-CD1 3.43Å; P160-L162 VanDerWaalsContact C-N 3.3Å; L162-K164 VanDerWaalsContact C-N 3.33Å; L162-Y173 HydrophobicContact CD1-CD2 3.87Å; L162-Y173 HydrophobicContact CD1-CE2 3.4Å
163P85.7Confident93.5Very high94 Ų9455.9 Ų55.961%0.6126%0.259SS*.SBendtrans-86.5-1.9-174.932.2-34.6000114.2
164K92.2Very high93.1Very high129 Ų12957.2 Ų57.256%0.56127%0.269SS*.SBendtrans-125.6165.5-167.8-73-171.9178.5-172.50111.4L162 R168L162-K164 VanDerWaalsContact C-N 3.33Å; K164-R168 HydrophobicContact CB-CB 4.06Å; K164-R168 HydrophobicContact CB-CG 4.04Å; K164-R168 HydrophobicContact CD-CB 4.18Å; K164-R168 HydrophobicContact CD-CG 4.3Å
165E95.9Very high92.9Very high19 Ų1963 Ų639%0.08929%0.294CS..  trans-62.5148.2173-37.593.2110.100110.8D156 C167 R168 L386 Y392D156-E165 CarbonylContact O-C 3.58Å; D156-E165 VanDerWaalsContact O-CA 3.28Å; D156-E165 WeakPolarHBondContact O-CA 3.45Å; E165-C167 VanDerWaalsContact C-N 3.3Å; E165-C167 PolarHBondContact O-N 3.17Å; E165-R168 HydrophobicContact CB-CG 4.16Å; E165-R168 VanDerWaalsContact CD-NE 3.35Å; E165-R168 VanDerWaalsContact O-CB 3.25Å; E165-R168 WeakPolarHBondContact O-CB 3.36Å; E165-R168 WeakPolarHBondContact O-CG 3.47Å; E165-R168 PolarHBondContact O-N 2.99Å; E165-R168 IonicContact OE1-CZ 2.97Å; E165-R168 VanDerWaalsContact OE1-CZ 3.28Å; E165-R168 IonicContact OE1-NE 2.75Å; E165-R168 PolarHBondContact OE1-NE 2.99Å; E165-R168 IonicContact OE1-NH2 2.73Å; E165-R168 PolarHBondContact OE1-NH2 3.5Å; E165-R168 WeakPolarHBondContact OE2-CG 3.25Å; E165-R168 IonicContact OE2-NE 2.83Å; E165-R168 PolarHBondContact OE2-NE 2.8Å; E165-L386 HydrophobicContact CG-CD1 4.36Å; E165-L386 HydrophobicContact CG-CD2 4.29Å; E165-Y392 HydrophobicContact CG-CD1 4.2Å
166D96Very high92.8Very high11 Ų1166.9 Ų66.96%0.05931%0.312CS..G310 helixtrans-61-36.9-174.1-72.3-32.4000112.3D156 R157 E158 R168D156-D166 PolarHBondContact O-N 2.9Å; R157-D166 WeakPolarHBondContact CA-OD2 3.49Å; E158-D166 WeakPolarHBondContact CB-OD2 3.45Å; E158-D166 WeakPolarHBondContact CG-OD2 3.16Å; E158-D166 PolarHBondContact N-OD2 3.13Å; D166-R168 PolarHBondContact O-N 2.83Å
167C96.9Very high92.8Very high2 Ų267 Ų671%0.01431%0.313CS..G310 helixtrans-66.60.3175.671.10000115.8N154 E165 R232 L255N154-C167 HydrophobicContact CB-CB 4.24Å; N154-C167 WeakPolarHBondContact O-CB 3.44Å; N154-C167 PolarHBondContact O-N 3.15Å; N154-C167 PolarHBondContact O-SG 3.49Å; E165-C167 VanDerWaalsContact C-N 3.3Å; E165-C167 PolarHBondContact O-N 3.17Å; C167-R232 PolarHBondContact O-NH1 3.05Å; C167-R232 PolarHBondContact O-NH2 2.89Å; C167-L255 HydrophobicContact CB-CD2 3.64Å
168R96Very high92.9Very high123 Ų12366 Ų6646%0.46431%0.309SS..G310 helixtrans-83.2-16.3-179.4-67.7-66.6169.5-164.6-12.3114.7K164 E165 D166 R232K164-R168 HydrophobicContact CB-CB 4.06Å; K164-R168 HydrophobicContact CB-CG 4.04Å; K164-R168 HydrophobicContact CD-CB 4.18Å; K164-R168 HydrophobicContact CD-CG 4.3Å; E165-R168 HydrophobicContact CB-CG 4.16Å; E165-R168 VanDerWaalsContact CD-NE 3.35Å; E165-R168 VanDerWaalsContact O-CB 3.25Å; E165-R168 WeakPolarHBondContact O-CB 3.36Å; E165-R168 WeakPolarHBondContact O-CG 3.47Å; E165-R168 PolarHBondContact O-N 2.99Å; E165-R168 IonicContact OE1-CZ 2.97Å; E165-R168 VanDerWaalsContact OE1-CZ 3.28Å; E165-R168 IonicContact OE1-NE 2.75Å; E165-R168 PolarHBondContact OE1-NE 2.99Å; E165-R168 IonicContact OE1-NH2 2.73Å; E165-R168 PolarHBondContact OE1-NH2 3.5Å; E165-R168 WeakPolarHBondContact OE2-CG 3.25Å; E165-R168 IonicContact OE2-NE 2.83Å; E165-R168 PolarHBondContact OE2-NE 2.8Å; D166-R168 PolarHBondContact O-N 2.83Å; R168-R232 PolarHBondContact O-NH1 3.25Å
169D94.9Very high93.2Very high43 Ų4369.6 Ų69.623%0.2333%0.325CS..SBendtrans-117.6-157.6172.879.924.2000111.6K171 Y173 R232D169-K171 WeakPolarHBondContact OD1-CA 3.23Å; D169-K171 WeakPolarHBondContact OD1-CB 3.36Å; D169-K171 PolarHBondContact OD1-N 2.83Å; D169-Y173 PolarHBondContact OD2-OH 3.48Å; D169-R232 PolarHBondContact O-NH1 3.49Å
170E97.3Very high93.7Very high46 Ų4668.4 Ų68.422%0.21532%0.317CS..SBendtrans-129.135.3178.8-60.689.2-174.200110.3H228 R232 R233E170-H228 HydrophobicContact CB-CB 4.44Å; E170-H228 VanDerWaalsContact O-CB 3.29Å; E170-H228 WeakPolarHBondContact O-CB 3.41Å; E170-R232 HydrophobicContact CG-CB 4.28Å; E170-R232 WeakPolarHBondContact OE1-CB 3.31Å; E170-R232 WeakPolarHBondContact OE1-CD 3.28Å; E170-R233 IonicContact OE1-CZ 2.61Å; E170-R233 VanDerWaalsContact OE1-CZ 3.26Å; E170-R233 IonicContact OE1-NH1 3.32Å; E170-R233 PolarHBondContact OE1-NH1 2.83Å; E170-R233 IonicContact OE1-NH2 3.98Å; E170-R233 PolarHBondContact OE1-NH2 2.9Å; E170-R233 IonicContact OE2-CZ 3.93Å; E170-R233 IonicContact OE2-NH2 3.01Å; E170-R233 PolarHBondContact OE2-NH2 2.84Å
171K96.5Very high94.4Very high121 Ų12164.5 Ų64.553%0.52629%0.292SS..  trans-135.8140.1-174.6-53.3-161.5-138.2133.80111.3D169 Y173D169-K171 WeakPolarHBondContact OD1-CA 3.23Å; D169-K171 WeakPolarHBondContact OD1-CB 3.36Å; D169-K171 PolarHBondContact OD1-N 2.83Å; K171-Y173 HydrophobicContact CB-CE1 4.05Å; K171-Y173 HydrophobicContact CB-CE2 3.86Å; K171-Y173 HydrophobicContact CD-CE1 4.02Å; K171-Y173 VanDerWaalsContact CD-OH 3.28Å; K171-Y173 WeakPolarHBondContact CD-OH 3.24Å; K171-Y173 PolarHBondContact NZ-OH 2.92Å
172V96.7Very high95.2Very high11 Ų1153.6 Ų53.67%0.06725%0.251CS..  trans-107.3130.3167.61720000107.7S174 D177 L178 M181 F215 Y226V172-S174 WeakPolarHBondContact CG1-O 3.4Å; V172-D177 HydrophobicContact CG1-CB 4.1Å; V172-D177 WeakPolarHBondContact CG1-OD2 3.28Å; V172-D177 WeakPolarHBondContact CG2-OD2 3.35Å; V172-L178 HydrophobicContact CG1-CD2 4.08Å; V172-M181 HydrophobicContact CG2-CE 3.57Å; V172-F215 HydrophobicContact CB-CD1 4.41Å; V172-F215 HydrophobicContact CB-CE1 4.44Å; V172-F215 HydrophobicContact CG2-CD1 3.66Å; V172-F215 HydrophobicContact CG2-CD2 3.99Å; V172-F215 HydrophobicContact CG2-CE1 3.63Å; V172-F215 HydrophobicContact CG2-CE2 3.97Å; V172-F215 HydrophobicContact CG2-CG 3.84Å; V172-F215 HydrophobicContact CG2-CZ 3.79Å; V172-Y226 HydrophobicContact CB-CD2 4.01Å; V172-Y226 HydrophobicContact CB-CG 3.84Å; V172-Y226 HydrophobicContact CG1-CD1 4.03Å; V172-Y226 HydrophobicContact CG1-CD2 3.68Å; V172-Y226 HydrophobicContact CG1-CE1 4.43Å; V172-Y226 HydrophobicContact CG1-CE2 4.07Å; V172-Y226 HydrophobicContact CG1-CG 3.64Å; V172-Y226 VanDerWaalsContact O-CD2 3.27Å; V172-Y226 WeakPolarHBondContact O-CD2 3.49Å
173Y92.8Very high95.8Very high98 Ų9855 Ų5538%0.38426%0.256SS..  trans-110.2-27.1-179.6-54.7-80.5000112.6L162 D169 K171L162-Y173 HydrophobicContact CD1-CD2 3.87Å; L162-Y173 HydrophobicContact CD1-CE2 3.4Å; D169-Y173 PolarHBondContact OD2-OH 3.48Å; K171-Y173 HydrophobicContact CB-CE1 4.05Å; K171-Y173 HydrophobicContact CB-CE2 3.86Å; K171-Y173 HydrophobicContact CD-CE1 4.02Å; K171-Y173 VanDerWaalsContact CD-OH 3.28Å; K171-Y173 WeakPolarHBondContact CD-OH 3.24Å; K171-Y173 PolarHBondContact NZ-OH 2.92Å
174S91.4Very high96.4Very high32 Ų3250.6 Ų50.622%0.22423%0.227CC..  trans-117.6150.6-176.1-175.40000110.8V172 E176 D177V172-S174 WeakPolarHBondContact CG1-O 3.4Å; S174-E176 WeakPolarHBondContact OG-CB 3.26Å; S174-E176 PolarHBondContact OG-N 2.81Å; S174-E176 VanDerWaalsContact OG-N 3.13Å; S174-D177 WeakPolarHBondContact O-CB 3.23Å
175K94.6Very high96.7Very high124 Ų12445.1 Ų45.154%0.53920%0.204SC..SBendtrans-71.4-23.9169-175.5177.1174.2-1770111.6D177 L178 Y226K175-D177 VanDerWaalsContact C-N 3.34Å; K175-L178 WeakPolarHBondContact O-CB 3.46Å; K175-L178 PolarHBondContact O-N 3.2Å; K175-Y226 WeakPolarHBondContact CA-OH 3.31Å; K175-Y226 WeakPolarHBondContact CB-OH 3.15Å; K175-Y226 PolarHBondContact N-OH 3.2Å
176E96Very high96.8Very high84 Ų8444.2 Ų44.239%0.39320%0.2SC..SBendtrans-65.4-38.8-178.7-63.5-62.2118.100111.5E158 S174 L178 K179E158-E176 VanDerWaalsContact OE2-CB 3.24Å; E158-E176 WeakPolarHBondContact OE2-CB 3.47Å; S174-E176 WeakPolarHBondContact OG-CB 3.26Å; S174-E176 PolarHBondContact OG-N 2.81Å; S174-E176 VanDerWaalsContact OG-N 3.13Å; E176-L178 PolarHBondContact O-N 2.78Å; E176-L178 VanDerWaalsContact O-N 3.15Å; E176-K179 WeakPolarHBondContact O-CB 3.3Å; E176-K179 WeakPolarHBondContact O-CG 3.31Å; E176-K179 PolarHBondContact O-N 3.3Å; E176-K179 WeakPolarHBondContact OE1-CE 3.08Å; E176-K179 IonicContact OE1-NZ 3.67Å; E176-K179 PolarHBondContact OE1-NZ 3.25Å; E176-K179 WeakPolarHBondContact OE2-CE 3.2Å; E176-K179 IonicContact OE2-NZ 3.96Å; E176-K179 PolarHBondContact OE2-NZ 3.07Å
177D97.1Very high97Very high3 Ų345 Ų452%0.01620%0.202CC..G310 helixtrans-51.7-34.5172.2-167.86.7000113N154 E158 V172 S174 K175 K179 D180N154-D177 PolarHBondContact ND2-OD1 3.42Å; E158-D177 HydrophobicContact CG-CB 3.94Å; V172-D177 HydrophobicContact CG1-CB 4.1Å; V172-D177 WeakPolarHBondContact CG1-OD2 3.28Å; V172-D177 WeakPolarHBondContact CG2-OD2 3.35Å; S174-D177 WeakPolarHBondContact O-CB 3.23Å; K175-D177 VanDerWaalsContact C-N 3.34Å; D177-K179 PolarHBondContact O-N 2.98Å; D177-K179 VanDerWaalsContact O-N 3.09Å; D177-D180 PolarHBondContact O-N 3.41Å; D177-D180 VanDerWaalsContact O-N 3.16Å
178L97.8Very high97Very high12 Ų1245.3 Ų45.36%0.06320%0.204CC..G310 helixtrans-66.2-14.3177.1-58.5-174.6000113.7V172 K175 E176 M181 V217 Y226 F251V172-L178 HydrophobicContact CG1-CD2 4.08Å; K175-L178 WeakPolarHBondContact O-CB 3.46Å; K175-L178 PolarHBondContact O-N 3.2Å; E176-L178 PolarHBondContact O-N 2.78Å; E176-L178 VanDerWaalsContact O-N 3.15Å; L178-M181 HydrophobicContact CD2-SD 4.02Å; L178-V217 HydrophobicContact CD1-CG2 3.98Å; L178-Y226 HydrophobicContact CD1-CD1 4.08Å; L178-Y226 HydrophobicContact CD1-CE1 3.66Å; L178-Y226 HydrophobicContact CD2-CD1 4.29Å; L178-Y226 HydrophobicContact CG-CE1 4.26Å; L178-F251 HydrophobicContact CB-CD1 3.9Å; L178-F251 HydrophobicContact CB-CE1 3.95Å; L178-F251 HydrophobicContact CB-CG 4.42Å; L178-F251 HydrophobicContact CD1-CD2 4.33Å; L178-F251 HydrophobicContact CD1-CE1 4.36Å; L178-F251 HydrophobicContact CD1-CE2 4.12Å; L178-F251 HydrophobicContact CD1-CZ 4.13Å; L178-F251 HydrophobicContact CD2-CB 4.05Å; L178-F251 HydrophobicContact CD2-CD1 4.25Å; L178-F251 HydrophobicContact CD2-CD2 4.21Å; L178-F251 HydrophobicContact CD2-CG 3.91Å; L178-F251 HydrophobicContact CG-CD1 4.47Å
179K98.1Very high97.1Very high105 Ų10544.1 Ų44.146%0.45720%0.202SC..G310 helixtrans-78.8-23.2178.1-60.8177.4-176.9170.70111.9E176 D177 M181 K363E176-K179 WeakPolarHBondContact O-CB 3.3Å; E176-K179 WeakPolarHBondContact O-CG 3.31Å; E176-K179 PolarHBondContact O-N 3.3Å; E176-K179 WeakPolarHBondContact OE1-CE 3.08Å; E176-K179 IonicContact OE1-NZ 3.67Å; E176-K179 PolarHBondContact OE1-NZ 3.25Å; E176-K179 WeakPolarHBondContact OE2-CE 3.2Å; E176-K179 IonicContact OE2-NZ 3.96Å; E176-K179 PolarHBondContact OE2-NZ 3.07Å; D177-K179 PolarHBondContact O-N 2.98Å; D177-K179 VanDerWaalsContact O-N 3.09Å; K179-M181 VanDerWaalsContact C-N 3.3Å; K179-K363 HydrophobicContact CB-CD 4.01Å; K179-K363 WeakPolarHBondContact O-CD 3.3Å
180D98.4Very high97.3Very high0 Ų042.4 Ų42.40%020%0.195CC..THydrogen-bonded Turntrans-79.9-18.8173.7-61.4-64.5000112.2D177 K363 F365D177-D180 PolarHBondContact O-N 3.41Å; D177-D180 VanDerWaalsContact O-N 3.16Å; D180-K363 WeakPolarHBondContact OD1-CD 3.19Å; D180-K363 WeakPolarHBondContact OD1-CE 3.45Å; D180-K363 IonicContact OD1-NZ 3.93Å; D180-K363 PolarHBondContact OD1-NZ 2.82Å; D180-K363 IonicContact OD2-NZ 3.33Å; D180-K363 PolarHBondContact OD2-NZ 3.17Å; D180-F365 HydrophobicContact CB-CE1 4.35Å; D180-F365 WeakPolarHBondContact OD1-CD1 3.48Å; D180-F365 WeakPolarHBondContact OD1-CE1 3.19Å
181M98.8Very high97.2Very high4 Ų440.8 Ų40.82%0.0219%0.188CC..SBendtrans-87.1145.1-178.3-60.1-167.9-172.700112.7V172 L178 K179 F215 F251 V252 E253V172-M181 HydrophobicContact CG2-CE 3.57Å; L178-M181 HydrophobicContact CD2-SD 4.02Å; K179-M181 VanDerWaalsContact C-N 3.3Å; M181-F215 HydrophobicContact CE-CD2 3.97Å; M181-F215 HydrophobicContact CE-CE2 4Å; M181-F215 HydrophobicContact SD-CD2 3.89Å; M181-F215 HydrophobicContact SD-CE2 4.46Å; M181-F251 HydrophobicContact CB-CB 3.81Å; M181-F251 HydrophobicContact CB-CD1 4.23Å; M181-F251 HydrophobicContact CG-CB 4.36Å; M181-F251 HydrophobicContact SD-CB 3.66Å; M181-V252 CarbonylContact C-O 3.6Å; M181-V252 VanDerWaalsContact CA-O 3.23Å; M181-V252 WeakPolarHBondContact CA-O 3.37Å; M181-V252 VanDerWaalsContact CB-O 3.29Å; M181-V252 WeakPolarHBondContact CB-O 3.34Å; M181-E253 HydrophobicContact CE-CB 4.11Å; M181-E253 HydrophobicContact CE-CG 4.31Å; M181-E253 HydrophobicContact CG-CB 4.08Å; M181-E253 HydrophobicContact SD-CB 4.31Å
182S98.9Very high97.2Very high4 Ų440.6 Ų40.63%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-83.3136.7172.8-55.70000110.8I150 V252 H362I150-S182 PolarHBondContact O-OG 2.79Å; S182-V252 PolarHBondContact N-O 3.12Å; S182-V252 PolarHBondContact O-N 3.48Å; S182-H362 PolarHBondContact OG-CE1 3.18Å
183Q98.9Very high97.1Very high91 Ų9149.3 Ų49.343%0.42522%0.224SC..EExtended strand (participates in β ladder)trans-77.6141.9177.6-67-177.418.500111.3V130 L249 F250 F251V130-Q183 HydrophobicContact CG2-CB 3.71Å; V130-Q183 WeakPolarHBondContact CG2-O 3.5Å; Q183-L249 HydrophobicContact CB-CD1 3.97Å; Q183-L249 HydrophobicContact CG-CD1 4.03Å; Q183-F250 WeakPolarHBondContact CA-O 3.48Å; Q183-F251 HydrophobicContact CG-CD1 4.23Å; Q183-F251 HydrophobicContact CG-CE1 3.95Å
184M98.9Very high97.3Very high0 Ų045.9 Ų45.90%021%0.212CC..EExtended strand (participates in β ladder)trans-136.4129.5171.8179.1-179.269.100108.3L120 D121 V122 V214 F250 V252 I268 V290L120-M184 HydrophobicContact CD1-CE 4.16Å; L120-M184 HydrophobicContact CD1-CG 3.64Å; L120-M184 HydrophobicContact CD1-SD 3.73Å; L120-M184 HydrophobicContact CD2-SD 3.9Å; L120-M184 HydrophobicContact CG-CG 4.08Å; L120-M184 HydrophobicContact CG-SD 3.95Å; D121-M184 CarbonylContact O-C 3.57Å; D121-M184 WeakPolarHBondContact O-CA 3.41Å; V122-M184 HydrophobicContact CG1-CB 4.05Å; V122-M184 HydrophobicContact CG1-CG 3.8Å; M184-V214 HydrophobicContact CE-CG1 4.01Å; M184-F250 HydrophobicContact CB-CB 4.36Å; M184-F250 HydrophobicContact CE-CB 3.89Å; M184-F250 HydrophobicContact CE-CD2 4Å; M184-F250 HydrophobicContact CE-CG 4.09Å; M184-F250 PolarHBondContact N-O 3.05Å; M184-F250 WeakPolarHBondContact O-CA 3.18Å; M184-F250 WeakPolarHBondContact O-CB 3.4Å; M184-F250 WeakPolarHBondContact O-CD2 3.43Å; M184-F250 PolarHBondContact O-N 3.3Å; M184-V252 HydrophobicContact CB-CG2 3.94Å; M184-V252 HydrophobicContact CE-CG2 4.28Å; M184-V252 HydrophobicContact SD-CG2 4.43Å; M184-I268 HydrophobicContact CE-CD1 4.25Å; M184-I268 HydrophobicContact CE-CG2 4Å; M184-I268 HydrophobicContact SD-CB 4.16Å; M184-I268 HydrophobicContact SD-CD1 3.92Å; M184-I268 HydrophobicContact SD-CG2 3.88Å; M184-V290 HydrophobicContact SD-CG2 3.93Å
185I98.9Very high97.5Very high15 Ų1545.9 Ų45.98%0.07721%0.212CC..EExtended strand (participates in β ladder)trans-119.4123.1-173.8-56.5177.8000109.4D121 V130 R187 E247 L248 L249D121-I185 PolarHBondContact N-O 3.05Å; D121-I185 PolarHBondContact O-N 3Å; V130-I185 HydrophobicContact CB-CD1 3.84Å; V130-I185 HydrophobicContact CB-CG1 4.27Å; V130-I185 HydrophobicContact CG1-CB 4.19Å; V130-I185 HydrophobicContact CG1-CD1 3.92Å; V130-I185 HydrophobicContact CG1-CG1 3.99Å; V130-I185 HydrophobicContact CG2-CD1 4.33Å; V130-I185 HydrophobicContact CG2-CG1 4.44Å; I185-R187 HydrophobicContact CG2-CG 3.65Å; I185-E247 HydrophobicContact CG2-CB 3.93Å; I185-E247 HydrophobicContact CG2-CG 4.35Å; I185-L248 WeakPolarHBondContact CA-O 3.44Å; I185-L249 HydrophobicContact CD1-CD1 4.29Å; I185-L249 HydrophobicContact CG1-CD1 3.75Å
186L98.8Very high97.5Very high0 Ų044.9 Ų44.90%023%0.227CC..EExtended strand (participates in β ladder)trans-89.4110.9165.3177.860.8000108.6I118 L120 T188 M200 V239 E247 L248 F250 V270I118-L186 HydrophobicContact CG2-CD1 4.01Å; L120-L186 HydrophobicContact CD1-CB 4.18Å; L186-T188 HydrophobicContact CD1-CG2 4.36Å; L186-T188 HydrophobicContact CG-CG2 4.15Å; L186-M200 HydrophobicContact CD2-CE 4.45Å; L186-V239 HydrophobicContact CD2-CG1 3.93Å; L186-V239 HydrophobicContact CD2-CG2 4.2Å; L186-E247 WeakPolarHBondContact O-CA 3.39Å; L186-L248 HydrophobicContact CB-CB 4.38Å; L186-L248 HydrophobicContact CD2-CD1 4.44Å; L186-L248 PolarHBondContact N-O 3.04Å; L186-L248 PolarHBondContact O-N 3.08Å; L186-F250 HydrophobicContact CB-CE2 3.74Å; L186-V270 HydrophobicContact CD1-CB 4.46Å; L186-V270 HydrophobicContact CD1-CG1 4.22Å; L186-V270 HydrophobicContact CD1-CG2 4.06Å; L186-V270 HydrophobicContact CD2-CG2 4.26Å
187R98.6Very high97.5Very high27 Ų2742.7 Ų42.710%0.10223%0.226CC..EExtended strand (participates in β ladder)trans-98.7126.8176.8-57.8-169169.6102.3-2.1109.4S119 D121 V130 E131 I185 E247S119-R187 PolarHBondContact N-O 3.17Å; S119-R187 PolarHBondContact O-N 3.34Å; D121-R187 VanDerWaalsContact CG-NH1 3.35Å; D121-R187 WeakPolarHBondContact OD2-CD 3.46Å; D121-R187 IonicContact OD2-CZ 2.69Å; D121-R187 IonicContact OD2-NH1 3.67Å; D121-R187 PolarHBondContact OD2-NH1 2.89Å; V130-R187 PolarHBondContact O-NH2 3.47Å; E131-R187 PolarHBondContact O-NH1 3.1Å; I185-R187 HydrophobicContact CG2-CG 3.65Å; R187-E247 VanDerWaalsContact CD-OE1 3.3Å; R187-E247 WeakPolarHBondContact CD-OE1 3.24Å; R187-E247 HydrophobicContact CG-CG 4.04Å; R187-E247 IonicContact CZ-OE1 2.88Å; R187-E247 IonicContact NE-OE1 2.58Å; R187-E247 PolarHBondContact NE-OE1 2.8Å
188T98.3Very high97.5Very high8 Ų843.7 Ų43.75%0.04923%0.23CC..EExtended strand (participates in β ladder)trans-129.6144.9177.459.50000112E117 L186 M200 A246E117-T188 VanDerWaalsContact O-CA 3.22Å; E117-T188 WeakPolarHBondContact O-CA 3.29Å; L186-T188 HydrophobicContact CD1-CG2 4.36Å; L186-T188 HydrophobicContact CG-CG2 4.15Å; T188-M200 HydrophobicContact CG2-CE 4.07Å; T188-M200 HydrophobicContact CG2-SD 4.01Å; T188-A246 PolarHBondContact N-O 3.09Å; T188-A246 PolarHBondContact O-N 3.18Å
189K98.4Very high97.5Very high99 Ų9946.5 Ų46.543%0.4324%0.243SC..EExtended strand (participates in β ladder)trans-137.4127.2172.2-165.1177.9178.6176.40111A84 I116 E117 G244A84-K189 HydrophobicContact CB-CB 4.18Å; A84-K189 HydrophobicContact CB-CD 4.24Å; A84-K189 HydrophobicContact CB-CG 3.91Å; A84-K189 WeakPolarHBondContact CB-O 3.31Å; I116-K189 CarbonylContact C-O 3.51Å; I116-K189 WeakPolarHBondContact CA-O 3.18Å; E117-K189 HydrophobicContact CB-CB 3.67Å; E117-K189 PolarHBondContact N-O 3.16Å; E117-K189 PolarHBondContact O-N 3.19Å; E117-K189 VanDerWaalsContact O-N 3.08Å; K189-G244 CarbonylContact C-O 3.59Å; K189-G244 VanDerWaalsContact CA-O 3.22Å; K189-G244 WeakPolarHBondContact CA-O 3.17Å
190G97.3Very high97.5Very high7 Ų741.6 Ų41.67%0.07222%0.221CC..EExtended strand (participates in β ladder)trans178.8-167.2179.700000114.9S85 Y241 G244S85-G190 CarbonylContact O-C 3.35Å; G190-Y241 VanDerWaalsContact CA-OH 3.3Å; G190-Y241 WeakPolarHBondContact CA-OH 3.29Å; G190-G244 PolarHBondContact N-O 3.28Å; G190-G244 WeakPolarHBondContact O-CA 3.34Å; G190-G244 PolarHBondContact O-N 2.79Å
191P96.7Very high97.5Very high11 Ų1142 Ų427%0.07122%0.224CC..SBendtrans-67.2177.9176.530.1-35.7000112.2E87 T114 R193 Y241 G243E87-P191 VanDerWaalsContact OE1-CB 3.23Å; E87-P191 WeakPolarHBondContact OE1-CB 3.37Å; T114-P191 HydrophobicContact CG2-CG 3.69Å; P191-R193 WeakPolarHBondContact CG-O 3.48Å; P191-R193 PolarHBondContact O-N 2.86Å; P191-R193 VanDerWaalsContact O-N 3.16Å; P191-Y241 VanDerWaalsContact O-CE1 3.3Å; P191-Y241 WeakPolarHBondContact O-CE1 3.34Å; P191-Y241 PolarHBondContact O-OH 2.91Å; P191-G243 WeakPolarHBondContact O-CA 3.33Å
192D95.4Very high97.5Very high118 Ų11841.8 Ų41.863%0.63122%0.223SC*.SBendtrans-62.2-27-174.7-72.1-10.4000112.9E87E87-D192 HydrophobicContact CG-CB 4.44Å; E87-D192 WeakPolarHBondContact OE1-CB 3.35Å; E87-D192 PolarHBondContact OE1-N 3.11Å
193R95.3Very high97.5Very high194 Ų19445.2 Ų45.273%0.73224%0.236SC*.SBendtrans-145.8151.3179.458.8-176.8172.3-176.6-1.8111.4P191P191-R193 WeakPolarHBondContact CG-O 3.48Å; P191-R193 PolarHBondContact O-N 2.86Å; P191-R193 VanDerWaalsContact O-N 3.16Å
194L96Very high97.5Very high25 Ų2541.1 Ų41.113%0.13122%0.217CC..PPolyproline II helixtrans-64.5151.1167.2-63.4177000110.5I116 M200 Y241 L272I116-L194 HydrophobicContact CD1-CD2 3.81Å; L194-M200 HydrophobicContact CD1-CG 4.23Å; L194-Y241 HydrophobicContact CD1-CD2 4.24Å; L194-Y241 HydrophobicContact CD1-CG 4.16Å; L194-Y241 HydrophobicContact CD2-CD1 4.47Å; L194-Y241 HydrophobicContact CD2-CD2 3.87Å; L194-Y241 HydrophobicContact CD2-CE1 4.38Å; L194-Y241 HydrophobicContact CD2-CE2 3.79Å; L194-Y241 HydrophobicContact CD2-CG 4.21Å; L194-Y241 HydrophobicContact CG-CD1 3.99Å; L194-Y241 HydrophobicContact CG-CD2 3.9Å; L194-Y241 HydrophobicContact CG-CE1 4.32Å; L194-Y241 HydrophobicContact CG-CE2 4.26Å; L194-Y241 HydrophobicContact CG-CG 3.75Å; L194-L272 HydrophobicContact CD1-CD1 4.36Å
195P95.9Very high97.5Very high33 Ų3343.2 Ų43.221%0.21423%0.232CC..PPolyproline II helixtrans-56156.3169-2637.2000112.1V18 T114 G197 Y198V18-P195 HydrophobicContact CG2-CB 4.41Å; V18-P195 HydrophobicContact CG2-CG 3.71Å; T114-P195 HydrophobicContact CG2-CG 3.91Å; P195-G197 PolarHBondContact O-N 3.17Å; P195-Y198 HydrophobicContact CB-CD2 4.01Å; P195-Y198 HydrophobicContact CB-CE2 4.39Å; P195-Y198 PolarHBondContact O-N 3.25Å
196A95Very high97.5Very high103 Ų10349 Ų4985%0.85126%0.26SS*.THydrogen-bonded Turntrans-58.2139.1179.100000111.1
197G95.4Very high97.5Very high37 Ų3753.2 Ų53.238%0.38129%0.289SS..THydrogen-bonded Turntrans84.73.8-179.200000114.9P195 E274 Y275P195-G197 PolarHBondContact O-N 3.17Å; G197-E274 CarbonylContact O-C 3.58Å; G197-E274 WeakPolarHBondContact O-CA 3.38Å; G197-Y275 WeakPolarHBondContact O-CB 3.25Å; G197-Y275 PolarHBondContact O-N 3.31Å
198Y98.1Very high97.5Very high25 Ų2552.9 Ų52.910%0.09829%0.289CS..EExtended strand (participates in β ladder)trans-110.1139.1176.9-71-97000112.6V18 P195 L272 L273 E274 I285V18-Y198 HydrophobicContact CB-CD1 4.16Å; V18-Y198 HydrophobicContact CB-CE1 3.78Å; V18-Y198 HydrophobicContact CG2-CD1 3.65Å; V18-Y198 HydrophobicContact CG2-CD2 3.89Å; V18-Y198 HydrophobicContact CG2-CE1 3.58Å; V18-Y198 HydrophobicContact CG2-CE2 3.87Å; V18-Y198 HydrophobicContact CG2-CG 3.79Å; P195-Y198 HydrophobicContact CB-CD2 4.01Å; P195-Y198 HydrophobicContact CB-CE2 4.39Å; P195-Y198 PolarHBondContact O-N 3.25Å; Y198-L272 HydrophobicContact CD1-CD1 4.07Å; Y198-L272 HydrophobicContact CD1-CD2 4.01Å; Y198-L272 HydrophobicContact CD1-CG 3.97Å; Y198-L272 HydrophobicContact CE1-CD2 4.32Å; Y198-L273 VanDerWaalsContact CA-O 3.31Å; Y198-L273 WeakPolarHBondContact CA-O 3.4Å; Y198-E274 HydrophobicContact CD1-CB 4.25Å; Y198-E274 HydrophobicContact CE1-CB 3.91Å; Y198-E274 HydrophobicContact CE1-CG 4.14Å; Y198-E274 HydrophobicContact CE2-CG 4.31Å; Y198-E274 PolarHBondContact OH-OE1 3.29Å; Y198-I285 HydrophobicContact CE1-CG1 4.17Å
199E97.9Very high97.5Very high70 Ų7052.9 Ų52.933%0.32729%0.29SS..EExtended strand (participates in β ladder)trans-141.1157.8170.664.4177.5-15500111.8V201 V238 L273 L282E199-V201 HydrophobicContact CG-CG2 4.29Å; E199-V238 HydrophobicContact CB-CG1 4.49Å; E199-L273 HydrophobicContact CG-CB 4.09Å; E199-L273 PolarHBondContact N-O 3.4Å; E199-L273 PolarHBondContact O-N 3.21Å; E199-L282 HydrophobicContact CG-CD2 3.84Å; E199-L282 VanDerWaalsContact OE1-CD2 3.29Å; E199-L282 WeakPolarHBondContact OE1-CD2 3.14Å
200M97.9Very high97.5Very high2 Ų251.7 Ų51.71%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-107.3134.4174.4-67.9-174-47.900109.8I118 L186 T188 L194 V239 Y241 S271 L272I118-M200 HydrophobicContact CD1-CG 4.41Å; I118-M200 HydrophobicContact CD1-SD 3.97Å; I118-M200 HydrophobicContact CG1-SD 4.24Å; L186-M200 HydrophobicContact CD2-CE 4.45Å; T188-M200 HydrophobicContact CG2-CE 4.07Å; T188-M200 HydrophobicContact CG2-SD 4.01Å; L194-M200 HydrophobicContact CD1-CG 4.23Å; M200-V239 HydrophobicContact CB-CB 4.1Å; M200-V239 HydrophobicContact CE-CB 4.26Å; M200-V239 HydrophobicContact CE-CG1 3.9Å; M200-V239 PolarHBondContact O-N 3.5Å; M200-Y241 HydrophobicContact CE-CD2 3.7Å; M200-Y241 HydrophobicContact CE-CG 4.42Å; M200-Y241 HydrophobicContact SD-CD2 4.3Å; M200-S271 WeakPolarHBondContact CA-O 3.37Å; M200-L272 HydrophobicContact CG-CD1 4.09Å
201V98.8Very high97.5Very high9 Ų952.7 Ų52.76%0.05529%0.291CS..EExtended strand (participates in β ladder)trans-130.1125.3-178.7-178.20000109.9E199 Y236 H237 V238 V270 S271 L273E199-V201 HydrophobicContact CG-CG2 4.29Å; V201-Y236 HydrophobicContact CG1-CD2 4.08Å; V201-Y236 HydrophobicContact CG1-CG 4.36Å; V201-H237 WeakPolarHBondContact CA-O 3.11Å; V201-V238 HydrophobicContact CG2-CG2 4.2Å; V201-V270 CarbonylContact O-C 3.54Å; V201-V270 WeakPolarHBondContact O-CA 3.47Å; V201-S271 PolarHBondContact N-O 3.36Å; V201-S271 PolarHBondContact O-N 3.44Å; V201-L273 HydrophobicContact CB-CD1 4.02Å; V201-L273 HydrophobicContact CB-CG 4.45Å; V201-L273 HydrophobicContact CG2-CD1 3.5Å; V201-L273 HydrophobicContact CG2-CG 4.12Å
202L98.8Very high97.6Very high0 Ų052.2 Ų52.20%029%0.287CS..EExtended strand (participates in β ladder)trans-86.1138.4165.3-80.5168.2000109L120 I229 L230 Y236 H237 V239 F250 H269 V270L120-L202 HydrophobicContact CD1-CD2 4.07Å; L120-L202 HydrophobicContact CD2-CD2 4.1Å; L202-I229 HydrophobicContact CD1-CD1 4.13Å; L202-L230 HydrophobicContact CB-CD1 4.1Å; L202-Y236 CarbonylContact O-C 3.6Å; L202-Y236 WeakPolarHBondContact O-CA 3.42Å; L202-H237 PolarHBondContact N-O 3.32Å; L202-H237 PolarHBondContact O-N 3.18Å; L202-V239 HydrophobicContact CB-CG2 4.32Å; L202-V239 HydrophobicContact CD1-CG2 3.83Å; L202-V239 HydrophobicContact CG-CG2 3.8Å; L202-F250 HydrophobicContact CD1-CD2 4.38Å; L202-F250 HydrophobicContact CD1-CE1 3.91Å; L202-F250 HydrophobicContact CD1-CE2 3.71Å; L202-F250 HydrophobicContact CD1-CZ 3.44Å; L202-F250 VanDerWaalsContact CD1-CZ 3.44Å; L202-H269 CarbonylContact C-O 3.58Å; L202-H269 VanDerWaalsContact CA-O 3.32Å; L202-H269 WeakPolarHBondContact CA-O 3.36Å; L202-V270 HydrophobicContact CD2-CB 3.78Å; L202-V270 HydrophobicContact CD2-CG2 4.13Å; L202-V270 HydrophobicContact CG-CG2 4.41Å
203Y98.9Very high97.8Very high75 Ų7546.6 Ų46.629%0.29426%0.257SS..EExtended strand (participates in β ladder)trans-154.7162.4178.867.1-85.7000114L235 H269 S271Y203-L235 CarbonylContact C-O 3.4Å; Y203-L235 WeakPolarHBondContact CA-O 3.43Å; Y203-L235 WeakPolarHBondContact CB-O 3.38Å; Y203-H269 HydrophobicContact CD1-CB 3.96Å; Y203-H269 HydrophobicContact CD2-CB 4.03Å; Y203-H269 AromaticContact CD2-CD2 3.82Å; Y203-H269 HydrophobicContact CE1-CB 3.52Å; Y203-H269 HydrophobicContact CE2-CB 3.59Å; Y203-H269 AromaticContact CE2-CD2 3.48Å; Y203-H269 VanDerWaalsContact CE2-CD2 3.48Å; Y203-H269 WeakPolarHBondContact CE2-CD2 3.34Å; Y203-H269 AromaticContact CE2-CG 3.64Å; Y203-H269 HydrophobicContact CG-CB 4.2Å; Y203-H269 AromaticContact CZ-CG 3.78Å; Y203-H269 PolarHBondContact N-O 3Å; Y203-H269 PolarHBondContact O-N 3.48Å; Y203-S271 WeakPolarHBondContact CE1-OG 3.06Å; Y203-S271 PolarHBondContact OH-OG 3.17Å
204I98.9Very high98Very high6 Ų637.3 Ų37.33%0.03122%0.222CC..  trans-131163173.955.3175.1000110.3V212 L230 L235 I268I204-V212 HydrophobicContact CD1-CG2 4Å; I204-V212 HydrophobicContact CG2-CG2 4.34Å; I204-L230 HydrophobicContact CD1-CB 4.18Å; I204-L230 HydrophobicContact CG1-CB 4.42Å; I204-L230 HydrophobicContact CG2-CD1 4.24Å; I204-L235 PolarHBondContact N-O 2.97Å; I204-I268 HydrophobicContact CG2-CB 4.41Å; I204-I268 HydrophobicContact CG2-CG1 3.91Å; I204-I268 HydrophobicContact CG2-CG2 4.38Å
205S98.6Very high98.1Very high44 Ų4436.2 Ų36.231%0.30822%0.216SC..  trans-71.5157.5173.182.90000111.4S207 D208 S209S205-S207 PolarHBondContact O-N 3.44Å; S205-S207 PolarHBondContact OG-N 2.76Å; S205-D208 PolarHBondContact O-N 2.77Å; S205-D208 PolarHBondContact OG-N 2.78Å; S205-D208 VanDerWaalsContact OG-N 3.09Å; S205-D208 PolarHBondContact OG-OD2 2.87Å; S205-S209 PolarHBondContact O-N 3.29Å
206M98.4Very high98.2Very high137 Ų13737.4 Ų37.468%0.67522%0.217SC*.THydrogen-bonded Turntrans-60.5-34.4170.9-177.364-171.100111.6D208 S209 L235M206-D208 VanDerWaalsContact C-N 3.29Å; M206-D208 PolarHBondContact O-N 3.4Å; M206-S209 WeakPolarHBondContact O-CB 3.48Å; M206-S209 PolarHBondContact O-N 3.45Å; M206-S209 PolarHBondContact O-OG 2.97Å; M206-L235 HydrophobicContact CB-CD1 4.39Å; M206-L235 HydrophobicContact SD-CD1 4.08Å; M206-L235 HydrophobicContact SD-CD2 4.05Å
207S98.1Very high98.2Very high87 Ų8733.4 Ų33.461%0.60818%0.182SC*.THydrogen-bonded Turntrans-66.1-29.5-180-1730000113.3S205 D210S205-S207 PolarHBondContact O-N 3.44Å; S205-S207 PolarHBondContact OG-N 2.76Å; S207-D210 VanDerWaalsContact O-OD1 3.11Å
208D98.6Very high98Very high20 Ų2035.3 Ų35.311%0.10718%0.181CC..THydrogen-bonded Turntrans-94.9-9.1-179.9-58-40.8000112.3S205 M206 D210 K211 V212 V266S205-D208 PolarHBondContact O-N 2.77Å; S205-D208 PolarHBondContact OG-N 2.78Å; S205-D208 VanDerWaalsContact OG-N 3.09Å; S205-D208 PolarHBondContact OG-OD2 2.87Å; M206-D208 VanDerWaalsContact C-N 3.29Å; M206-D208 PolarHBondContact O-N 3.4Å; D208-D210 PolarHBondContact O-N 3.33Å; D208-D210 VanDerWaalsContact O-N 3.15Å; D208-K211 WeakPolarHBondContact O-CA 3.48Å; D208-K211 WeakPolarHBondContact O-CB 3.5Å; D208-K211 PolarHBondContact O-N 3.12Å; D208-V212 WeakPolarHBondContact O-CG2 3.21Å; D208-V212 PolarHBondContact O-N 2.72Å; D208-V212 VanDerWaalsContact O-N 3.12Å; D208-V266 HydrophobicContact CB-CG1 4.44Å
209S98.4Very high97.6Very high8 Ų840 Ų406%0.05621%0.208CC..THydrogen-bonded Turntrans-63.5-22.2-174.472.80000114.6S205 M206 G231 R232 L235S205-S209 PolarHBondContact O-N 3.29Å; M206-S209 WeakPolarHBondContact O-CB 3.48Å; M206-S209 PolarHBondContact O-N 3.45Å; M206-S209 PolarHBondContact O-OG 2.97Å; S209-G231 CarbonylContact O-C 3.48Å; S209-R232 VanDerWaalsContact O-CA 3.29Å; S209-R232 WeakPolarHBondContact O-CA 3.49Å; S209-R232 WeakPolarHBondContact O-CG 3.43Å; S209-R232 PolarHBondContact O-N 2.77Å; S209-L235 VanDerWaalsContact CB-CD2 3.49Å
210D98.4Very high97.2Very high75 Ų7539.6 Ų39.640%0.40121%0.211SC..THydrogen-bonded Turntrans-102.14.7173.367.9-30.9000112.8S207 D208S207-D210 VanDerWaalsContact O-OD1 3.11Å; D208-D210 PolarHBondContact O-N 3.33Å; D208-D210 VanDerWaalsContact O-N 3.15Å
211K98.8Very high96.7Very high28 Ų2848.7 Ų48.712%0.12225%0.251CS..THydrogen-bonded Turntrans-107.1-23.9179.3-51.1-58.4-175.6-67.50113D208 L255 C256 F262 V266D208-K211 WeakPolarHBondContact O-CA 3.48Å; D208-K211 WeakPolarHBondContact O-CB 3.5Å; D208-K211 PolarHBondContact O-N 3.12Å; K211-L255 PolarHBondContact O-N 2.78Å; K211-C256 HydrophobicContact CD-CB 3.64Å; K211-F262 HydrophobicContact CB-CE2 4.44Å; K211-F262 HydrophobicContact CB-CZ 4.21Å; K211-F262 HydrophobicContact CD-CD1 4.25Å; K211-F262 HydrophobicContact CD-CD2 4.31Å; K211-F262 HydrophobicContact CD-CE1 4.19Å; K211-F262 HydrophobicContact CD-CE2 4.25Å; K211-F262 HydrophobicContact CD-CG 4.32Å; K211-F262 HydrophobicContact CD-CZ 4.19Å; K211-F262 HydrophobicContact CG-CD2 4.43Å; K211-F262 HydrophobicContact CG-CE2 4.05Å; K211-F262 HydrophobicContact CG-CZ 4.18Å; K211-V266 HydrophobicContact CB-CG1 3.89Å
212V98.8Very high96Very high0 Ų057.9 Ų57.90%029%0.29CS..EExtended strand (participates in β ladder)trans-136.2150.8-179-62.50000113.6L151 I204 D208 G231 E253 L255 V266L151-V212 HydrophobicContact CD2-CG1 3.87Å; I204-V212 HydrophobicContact CD1-CG2 4Å; I204-V212 HydrophobicContact CG2-CG2 4.34Å; D208-V212 WeakPolarHBondContact O-CG2 3.21Å; D208-V212 PolarHBondContact O-N 2.72Å; D208-V212 VanDerWaalsContact O-N 3.12Å; V212-G231 WeakPolarHBondContact O-CA 3.25Å; V212-E253 VanDerWaalsContact CA-O 3.31Å; V212-E253 WeakPolarHBondContact CA-O 3.4Å; V212-L255 VanDerWaalsContact C-CD1 3.49Å; V212-L255 WeakPolarHBondContact O-CD1 3.43Å; V212-V266 HydrophobicContact CG1-CB 3.91Å; V212-V266 HydrophobicContact CG1-CG1 3.99Å; V212-V266 HydrophobicContact CG1-CG2 3.55Å
213G98.8Very high95.3Very high0 Ų059.8 Ų59.80%031%0.31CS..EExtended strand (participates in β ladder)trans-121.5142.8164.800000110.2L230 V252 E253G213-L230 CarbonylContact C-O 3.5Å; G213-V252 WeakPolarHBondContact O-CA 3.45Å; G213-E253 PolarHBondContact N-O 2.8Å; G213-E253 PolarHBondContact O-N 3.28Å
214V98.9Very high94.9Very high0 Ų060 Ų600%031%0.314CS..EExtended strand (participates in β ladder)trans-128.7127.4177.2-172.40000110M184 I229 L230 F250 F251 V252 I268M184-V214 HydrophobicContact CE-CG1 4.01Å; V214-I229 HydrophobicContact CB-CG1 4.06Å; V214-I229 HydrophobicContact CG1-CD1 3.92Å; V214-I229 HydrophobicContact CG1-CG1 3.89Å; V214-I229 VanDerWaalsContact O-CG1 3.25Å; V214-I229 WeakPolarHBondContact O-CG1 3.37Å; V214-I229 PolarHBondContact O-N 3.35Å; V214-L230 HydrophobicContact CB-CB 3.92Å; V214-L230 HydrophobicContact CB-CD1 4.38Å; V214-L230 HydrophobicContact CB-CG 4.47Å; V214-L230 HydrophobicContact CG2-CB 3.89Å; V214-L230 HydrophobicContact CG2-CD1 4.13Å; V214-L230 PolarHBondContact N-O 3.37Å; V214-L230 PolarHBondContact O-N 2.7Å; V214-F250 HydrophobicContact CG1-CB 3.92Å; V214-F250 HydrophobicContact CG1-CD1 4.45Å; V214-F250 HydrophobicContact CG1-CG 4.41Å; V214-F251 WeakPolarHBondContact CA-O 3.12Å; V214-V252 HydrophobicContact CG1-CG2 4.38Å; V214-V252 HydrophobicContact CG2-CG1 4.33Å; V214-V252 HydrophobicContact CG2-CG2 4.34Å; V214-I268 HydrophobicContact CG2-CD1 3.91Å
215F98.8Very high94.7Very high1 Ų167 Ų670%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-117.2141-178.3-62.4-93.7000111.8V172 M181 I227 H228 F250 F251 E253V172-F215 HydrophobicContact CB-CD1 4.41Å; V172-F215 HydrophobicContact CB-CE1 4.44Å; V172-F215 HydrophobicContact CG2-CD1 3.66Å; V172-F215 HydrophobicContact CG2-CD2 3.99Å; V172-F215 HydrophobicContact CG2-CE1 3.63Å; V172-F215 HydrophobicContact CG2-CE2 3.97Å; V172-F215 HydrophobicContact CG2-CG 3.84Å; V172-F215 HydrophobicContact CG2-CZ 3.79Å; M181-F215 HydrophobicContact CE-CD2 3.97Å; M181-F215 HydrophobicContact CE-CE2 4Å; M181-F215 HydrophobicContact SD-CD2 3.89Å; M181-F215 HydrophobicContact SD-CE2 4.46Å; F215-I227 CarbonylContact C-O 3.53Å; F215-I227 VanDerWaalsContact CA-O 3.29Å; F215-I227 WeakPolarHBondContact CA-O 3.48Å; F215-H228 HydrophobicContact CD1-CB 3.93Å; F215-H228 HydrophobicContact CE1-CB 3.58Å; F215-H228 AromaticContact CE1-CD2 3.85Å; F215-H228 HydrophobicContact CZ-CB 4.29Å; F215-H228 AromaticContact CZ-CD2 3.65Å; F215-F250 CarbonylContact O-C 3.51Å; F215-F250 VanDerWaalsContact O-CA 3.28Å; F215-F250 WeakPolarHBondContact O-CA 3.34Å; F215-F251 PolarHBondContact N-O 2.8Å; F215-F251 PolarHBondContact O-N 3.41Å; F215-E253 HydrophobicContact CE2-CG 4.02Å; F215-E253 WeakPolarHBondContact CE2-OE1 3.34Å
216Y97.8Very high94.5Very high59 Ų5966.9 Ų66.923%0.23133%0.333CS..EExtended strand (participates in β ladder)trans-110.1139.3169176.8-117.8000109.7E218 I227 L248 L249 F250Y216-E218 HydrophobicContact CD1-CG 3.67Å; Y216-E218 HydrophobicContact CE1-CG 3.29Å; Y216-I227 PolarHBondContact N-O 2.98Å; Y216-I227 PolarHBondContact O-N 3.37Å; Y216-L248 HydrophobicContact CE2-CD2 4.02Å; Y216-L249 WeakPolarHBondContact CD2-O 3.21Å; Y216-F250 HydrophobicContact CD2-CD1 4.04Å; Y216-F250 AromaticContact CD2-CE1 3.81Å; Y216-F250 HydrophobicContact CD2-CE1 3.81Å; Y216-F250 HydrophobicContact CG-CD1 4.41Å; Y216-F250 HydrophobicContact CG-CE1 4.17Å
217V94.8Very high94.5Very high19 Ų1962.3 Ų62.312%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-106.1115.1-176.9-169.20000110.4L178 Q224 Y226 F251L178-V217 HydrophobicContact CD1-CG2 3.98Å; V217-Q224 HydrophobicContact CG1-CG 3.53Å; V217-Y226 HydrophobicContact CG1-CD1 4Å; V217-Y226 HydrophobicContact CG1-CE1 4Å; V217-Y226 HydrophobicContact CG2-CD1 3.97Å; V217-Y226 HydrophobicContact CG2-CE1 4.42Å; V217-F251 HydrophobicContact CG2-CD2 3.59Å; V217-F251 HydrophobicContact CG2-CE2 3.52Å
218E91.1Very high94.5Very high76 Ų7659 Ų5936%0.35529%0.286SS..EExtended strand (participates in β ladder)trans-101.7148.6172.6-69.3-172.1163.700110.6Y216 P220 Q224 R225 I227Y216-E218 HydrophobicContact CD1-CG 3.67Å; Y216-E218 HydrophobicContact CE1-CG 3.29Å; E218-P220 WeakPolarHBondContact O-CD 3.37Å; E218-Q224 WeakPolarHBondContact O-CA 3.5Å; E218-R225 PolarHBondContact N-O 2.77Å; E218-R225 PolarHBondContact O-N 2.83Å; E218-I227 HydrophobicContact CG-CD1 3.81Å; E218-I227 WeakPolarHBondContact OE2-CD1 3.37Å
219N90.3Very high94.5Very high125 Ų12558.1 Ų58.167%0.66828%0.281SS*.  trans-116.367.4173.4-61.8-69.9000110.2
220P89.3Confident94.5Very high61 Ų6157.7 Ų57.740%0.39628%0.278SS..  trans-67.8169.9174.930.5-36.1000111.8E218 F222 G223 R225E218-P220 WeakPolarHBondContact O-CD 3.37Å; P220-F222 PolarHBondContact O-N 3.48Å; P220-G223 WeakPolarHBondContact CD-O 3.31Å; P220-G223 WeakPolarHBondContact CG-O 3.15Å; P220-G223 PolarHBondContact O-N 2.87Å; P220-R225 HydrophobicContact CG-CB 4.17Å
221F86.8Confident94.5Very high193 Ų19354.1 Ų54.185%0.84626%0.259SS*.THydrogen-bonded Turntrans-51.9-33.5-172.7-172.4-94.7000114.9
222F84.1Confident94.5Very high201 Ų20155.1 Ų55.188%0.88226%0.262SS*.THydrogen-bonded Turntrans-95.59.2-175.5-66.1-71.8000114.8P220P220-F222 PolarHBondContact O-N 3.48Å
223G85.7Confident94.4Very high40 Ų4064.1 Ų64.141%0.41230%0.296SS..SBendtrans124.4175.2176.700000113.5P220P220-G223 WeakPolarHBondContact CD-O 3.31Å; P220-G223 WeakPolarHBondContact CG-O 3.15Å; P220-G223 PolarHBondContact O-N 2.87Å
224Q90.6Very high94.4Very high79 Ų7968.8 Ų68.837%0.36932%0.316SS..  trans-66.3136.4-176.2-163.616821.700111.3V217 E218 Y226V217-Q224 HydrophobicContact CG1-CG 3.53Å; E218-Q224 WeakPolarHBondContact O-CA 3.5Å; Q224-Y226 HydrophobicContact CG-CE1 3.83Å; Q224-Y226 PolarHBondContact OE1-OH 3.09Å
225R93Very high94.4Very high153 Ų15371.6 Ų71.658%0.57733%0.331SS*.EExtended strand (participates in β ladder)trans-127.7134177.9-175-179-177.4-1791.9110.1E218 P220 I227E218-R225 PolarHBondContact N-O 2.77Å; E218-R225 PolarHBondContact O-N 2.83Å; P220-R225 HydrophobicContact CG-CB 4.17Å; R225-I227 HydrophobicContact CG-CG1 4.25Å
226Y96.1Very high94.4Very high42 Ų4279.3 Ų79.317%0.16536%0.361CS..EExtended strand (participates in β ladder)trans-105.2121.9177.2-43.7-75.6000109.3V172 K175 L178 V217 Q224V172-Y226 HydrophobicContact CB-CD2 4.01Å; V172-Y226 HydrophobicContact CB-CG 3.84Å; V172-Y226 HydrophobicContact CG1-CD1 4.03Å; V172-Y226 HydrophobicContact CG1-CD2 3.68Å; V172-Y226 HydrophobicContact CG1-CE1 4.43Å; V172-Y226 HydrophobicContact CG1-CE2 4.07Å; V172-Y226 HydrophobicContact CG1-CG 3.64Å; V172-Y226 VanDerWaalsContact O-CD2 3.27Å; V172-Y226 WeakPolarHBondContact O-CD2 3.49Å; K175-Y226 WeakPolarHBondContact CA-OH 3.31Å; K175-Y226 WeakPolarHBondContact CB-OH 3.15Å; K175-Y226 PolarHBondContact N-OH 3.2Å; L178-Y226 HydrophobicContact CD1-CD1 4.08Å; L178-Y226 HydrophobicContact CD1-CE1 3.66Å; L178-Y226 HydrophobicContact CD2-CD1 4.29Å; L178-Y226 HydrophobicContact CG-CE1 4.26Å; V217-Y226 HydrophobicContact CG1-CD1 4Å; V217-Y226 HydrophobicContact CG1-CE1 4Å; V217-Y226 HydrophobicContact CG2-CD1 3.97Å; V217-Y226 HydrophobicContact CG2-CE1 4.42Å; Q224-Y226 HydrophobicContact CG-CE1 3.83Å; Q224-Y226 PolarHBondContact OE1-OH 3.09Å
227I97.6Very high94.4Very high41 Ų4179.5 Ų79.521%0.2136%0.364CS..EExtended strand (participates in β ladder)trans-111.9114.2-174.8-55.8179.7000108.6F215 Y216 E218 R225 I229F215-I227 CarbonylContact C-O 3.53Å; F215-I227 VanDerWaalsContact CA-O 3.29Å; F215-I227 WeakPolarHBondContact CA-O 3.48Å; Y216-I227 PolarHBondContact N-O 2.98Å; Y216-I227 PolarHBondContact O-N 3.37Å; E218-I227 HydrophobicContact CG-CD1 3.81Å; E218-I227 WeakPolarHBondContact OE2-CD1 3.37Å; R225-I227 HydrophobicContact CG-CG1 4.25Å; I227-I229 HydrophobicContact CB-CG2 4.47Å; I227-I229 HydrophobicContact CG2-CG2 3.94Å; I227-I229 PolarHBondContact O-N 2.77Å
228H98.5Very high94.6Very high17 Ų1781.8 Ų81.88%0.07938%0.378CS..EExtended strand (participates in β ladder)trans-69.4110.9169.8-178.5-109.2000110.2E170 F215 L230 K234E170-H228 HydrophobicContact CB-CB 4.44Å; E170-H228 VanDerWaalsContact O-CB 3.29Å; E170-H228 WeakPolarHBondContact O-CB 3.41Å; F215-H228 HydrophobicContact CD1-CB 3.93Å; F215-H228 HydrophobicContact CE1-CB 3.58Å; F215-H228 AromaticContact CE1-CD2 3.85Å; F215-H228 HydrophobicContact CZ-CB 4.29Å; F215-H228 AromaticContact CZ-CD2 3.65Å; H228-L230 PolarHBondContact CD2-O 2.79Å; H228-L230 PolarHBondContact NE2-O 2.85Å; H228-K234 PolarHBondContact O-NZ 3.25Å
229I98.6Very high94.9Very high2 Ų278.7 Ų78.71%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-103.1-32.3-174.959.1160000113.2L202 V214 I227 H237 F250L202-I229 HydrophobicContact CD1-CD1 4.13Å; V214-I229 HydrophobicContact CB-CG1 4.06Å; V214-I229 HydrophobicContact CG1-CD1 3.92Å; V214-I229 HydrophobicContact CG1-CG1 3.89Å; V214-I229 VanDerWaalsContact O-CG1 3.25Å; V214-I229 WeakPolarHBondContact O-CG1 3.37Å; V214-I229 PolarHBondContact O-N 3.35Å; I227-I229 HydrophobicContact CB-CG2 4.47Å; I227-I229 HydrophobicContact CG2-CG2 3.94Å; I227-I229 PolarHBondContact O-N 2.77Å; I229-H237 HydrophobicContact CB-CB 3.97Å; I229-F250 HydrophobicContact CD1-CD1 3.43Å; I229-F250 VanDerWaalsContact CD1-CD1 3.43Å; I229-F250 HydrophobicContact CD1-CE1 3.43Å; I229-F250 VanDerWaalsContact CD1-CE1 3.43Å; I229-F250 HydrophobicContact CD1-CG 4.44Å; I229-F250 HydrophobicContact CD1-CZ 4.45Å
230L98.8Very high95.1Very high0 Ų081.1 Ų81.10%037%0.369CS..EExtended strand (participates in β ladder)trans-139.9146.1178-59169.9000110.2L202 I204 G213 V214 H228 K234 Y236 H237 I268L202-L230 HydrophobicContact CB-CD1 4.1Å; I204-L230 HydrophobicContact CD1-CB 4.18Å; I204-L230 HydrophobicContact CG1-CB 4.42Å; I204-L230 HydrophobicContact CG2-CD1 4.24Å; G213-L230 CarbonylContact C-O 3.5Å; V214-L230 HydrophobicContact CB-CB 3.92Å; V214-L230 HydrophobicContact CB-CD1 4.38Å; V214-L230 HydrophobicContact CB-CG 4.47Å; V214-L230 HydrophobicContact CG2-CB 3.89Å; V214-L230 HydrophobicContact CG2-CD1 4.13Å; V214-L230 PolarHBondContact N-O 3.37Å; V214-L230 PolarHBondContact O-N 2.7Å; H228-L230 PolarHBondContact CD2-O 2.79Å; H228-L230 PolarHBondContact NE2-O 2.85Å; L230-K234 WeakPolarHBondContact CA-O 3.4Å; L230-Y236 VanDerWaalsContact CD2-CA 3.46Å; L230-H237 HydrophobicContact CD2-CB 4.31Å; L230-I268 HydrophobicContact CD1-CG2 4.29Å
231G98.5Very high95.4Very high0 Ų080 Ų800%036%0.357CS..BIsolated β-bridgetrans143.6-144.417800000110.3S209 V212 R233 K234S209-G231 CarbonylContact O-C 3.48Å; V212-G231 WeakPolarHBondContact O-CA 3.25Å; G231-R233 PolarHBondContact O-N 3.11Å; G231-R233 VanDerWaalsContact O-N 3.11Å; G231-K234 PolarHBondContact N-O 3.39Å; G231-K234 CarbonylContact O-C 3.57Å; G231-K234 PolarHBondContact O-N 3.04Å; G231-K234 VanDerWaalsContact O-O 3.06Å
232R97.8Very high95.7Very high48 Ų4874.5 Ų74.518%0.18134%0.339CS..THydrogen-bonded Turntrans-55.4123.3-176.5-63.8-177.2-171.1118.62.6110.1C167 R168 D169 E170 S209 K234 L255C167-R232 PolarHBondContact O-NH1 3.05Å; C167-R232 PolarHBondContact O-NH2 2.89Å; R168-R232 PolarHBondContact O-NH1 3.25Å; D169-R232 PolarHBondContact O-NH1 3.49Å; E170-R232 HydrophobicContact CG-CB 4.28Å; E170-R232 WeakPolarHBondContact OE1-CB 3.31Å; E170-R232 WeakPolarHBondContact OE1-CD 3.28Å; S209-R232 VanDerWaalsContact O-CA 3.29Å; S209-R232 WeakPolarHBondContact O-CA 3.49Å; S209-R232 WeakPolarHBondContact O-CG 3.43Å; S209-R232 PolarHBondContact O-N 2.77Å; R232-K234 PolarHBondContact O-N 2.88Å; R232-K234 VanDerWaalsContact O-N 3.14Å; R232-L255 HydrophobicContact CG-CD1 4.31Å
233R96.8Very high96.1Very high189 Ų18965.9 Ų65.971%0.71331%0.307SS*.THydrogen-bonded Turntrans64.59.4178.3-48174.6-64.5-75.33.2114.8E170 G231E170-R233 IonicContact OE1-CZ 2.61Å; E170-R233 VanDerWaalsContact OE1-CZ 3.26Å; E170-R233 IonicContact OE1-NH1 3.32Å; E170-R233 PolarHBondContact OE1-NH1 2.83Å; E170-R233 IonicContact OE1-NH2 3.98Å; E170-R233 PolarHBondContact OE1-NH2 2.9Å; E170-R233 IonicContact OE2-CZ 3.93Å; E170-R233 IonicContact OE2-NH2 3.01Å; E170-R233 PolarHBondContact OE2-NH2 2.84Å; G231-R233 PolarHBondContact O-N 3.11Å; G231-R233 VanDerWaalsContact O-N 3.11Å
234K98.4Very high96.6Very high98 Ų9865.5 Ų65.543%0.42630%0.304SS..BIsolated β-bridgetrans-133.197.4174.7-69.8-166.8-177.9-173.50110.4H228 L230 G231 R232H228-K234 PolarHBondContact O-NZ 3.25Å; L230-K234 WeakPolarHBondContact CA-O 3.4Å; G231-K234 PolarHBondContact N-O 3.39Å; G231-K234 CarbonylContact O-C 3.57Å; G231-K234 PolarHBondContact O-N 3.04Å; G231-K234 VanDerWaalsContact O-O 3.06Å; R232-K234 PolarHBondContact O-N 2.88Å; R232-K234 VanDerWaalsContact O-N 3.14Å
235L98.7Very high96.9Very high60 Ų6066.6 Ų66.631%0.31432%0.32SS..  trans-88.3-21.1-175.7-57.9-176.5000113.6Y203 I204 M206 S209Y203-L235 CarbonylContact C-O 3.4Å; Y203-L235 WeakPolarHBondContact CA-O 3.43Å; Y203-L235 WeakPolarHBondContact CB-O 3.38Å; I204-L235 PolarHBondContact N-O 2.97Å; M206-L235 HydrophobicContact CB-CD1 4.39Å; M206-L235 HydrophobicContact SD-CD1 4.08Å; M206-L235 HydrophobicContact SD-CD2 4.05Å; S209-L235 VanDerWaalsContact CB-CD2 3.49Å
236Y98.7Very high97.1Very high162 Ų16260.2 Ų60.264%0.63530%0.3SS*.EExtended strand (participates in β ladder)trans-147.1156.8-178.671.3-87.5000112.3V201 L202 L230V201-Y236 HydrophobicContact CG1-CD2 4.08Å; V201-Y236 HydrophobicContact CG1-CG 4.36Å; L202-Y236 CarbonylContact O-C 3.6Å; L202-Y236 WeakPolarHBondContact O-CA 3.42Å; L230-Y236 VanDerWaalsContact CD2-CA 3.46Å
237H98.6Very high97.2Very high63 Ų6363.3 Ų63.329%0.29232%0.316SS..EExtended strand (participates in β ladder)trans-140.6122.5176.3-177.476.9000110V201 L202 I229 L230 V239V201-H237 WeakPolarHBondContact CA-O 3.11Å; L202-H237 PolarHBondContact N-O 3.32Å; L202-H237 PolarHBondContact O-N 3.18Å; I229-H237 HydrophobicContact CB-CB 3.97Å; L230-H237 HydrophobicContact CD2-CB 4.31Å; H237-V239 PolarHBondContact O-N 3.08Å
238V98.4Very high97.2Very high68 Ų6862.7 Ų62.741%0.41231%0.313SS..EExtended strand (participates in β ladder)trans-74.3119.6173.7-176.30000108.5E199 V201E199-V238 HydrophobicContact CB-CG1 4.49Å; V201-V238 HydrophobicContact CG2-CG2 4.2Å
239V97.2Very high97.2Very high11 Ų1164.9 Ų64.97%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-81.8133.3-176.4-179.50000110L186 M200 L202 H237 Y241 L248L186-V239 HydrophobicContact CD2-CG1 3.93Å; L186-V239 HydrophobicContact CD2-CG2 4.2Å; M200-V239 HydrophobicContact CB-CB 4.1Å; M200-V239 HydrophobicContact CE-CB 4.26Å; M200-V239 HydrophobicContact CE-CG1 3.9Å; M200-V239 PolarHBondContact O-N 3.5Å; L202-V239 HydrophobicContact CB-CG2 4.32Å; L202-V239 HydrophobicContact CD1-CG2 3.83Å; L202-V239 HydrophobicContact CG-CG2 3.8Å; H237-V239 PolarHBondContact O-N 3.08Å; V239-Y241 PolarHBondContact O-N 3.4Å; V239-L248 HydrophobicContact CG1-CD1 3.4Å; V239-L248 VanDerWaalsContact CG1-CD1 3.4Å
240K95.4Very high97.2Very high176 Ų17665 Ų6577%0.76533%0.325SS*.  trans-75.8103.2170.3-173.1-179.9178.6-1760110.3
241Y95.8Very high97.2Very high37 Ų3765.9 Ų65.915%0.14533%0.329CS..  trans-61.3138.6175.4-179.6-98.9000111.7G190 P191 L194 M200 V239G190-Y241 VanDerWaalsContact CA-OH 3.3Å; G190-Y241 WeakPolarHBondContact CA-OH 3.29Å; P191-Y241 VanDerWaalsContact O-CE1 3.3Å; P191-Y241 WeakPolarHBondContact O-CE1 3.34Å; P191-Y241 PolarHBondContact O-OH 2.91Å; L194-Y241 HydrophobicContact CD1-CD2 4.24Å; L194-Y241 HydrophobicContact CD1-CG 4.16Å; L194-Y241 HydrophobicContact CD2-CD1 4.47Å; L194-Y241 HydrophobicContact CD2-CD2 3.87Å; L194-Y241 HydrophobicContact CD2-CE1 4.38Å; L194-Y241 HydrophobicContact CD2-CE2 3.79Å; L194-Y241 HydrophobicContact CD2-CG 4.21Å; L194-Y241 HydrophobicContact CG-CD1 3.99Å; L194-Y241 HydrophobicContact CG-CD2 3.9Å; L194-Y241 HydrophobicContact CG-CE1 4.32Å; L194-Y241 HydrophobicContact CG-CE2 4.26Å; L194-Y241 HydrophobicContact CG-CG 3.75Å; M200-Y241 HydrophobicContact CE-CD2 3.7Å; M200-Y241 HydrophobicContact CE-CG 4.42Å; M200-Y241 HydrophobicContact SD-CD2 4.3Å; V239-Y241 PolarHBondContact O-N 3.4Å
242T93.6Very high97.2Very high77 Ų7765.9 Ų65.947%0.47233%0.329SS..  trans-127.2126.4170.5-56.40000107.9A246T242-A246 HydrophobicContact CG2-CB 4.42Å
243G92.3Very high97.3Very high20 Ų2063.9 Ų63.921%0.20632%0.322CS..SBendtrans-71176.6-179.300000114.5P191P191-G243 WeakPolarHBondContact O-CA 3.33Å
244G95.4Very high97.4Very high33 Ų3354.9 Ų54.934%0.3429%0.288SS..EExtended strand (participates in β ladder)trans72.7-147.8-170.600000111.1K189 G190K189-G244 CarbonylContact C-O 3.59Å; K189-G244 VanDerWaalsContact CA-O 3.22Å; K189-G244 WeakPolarHBondContact CA-O 3.17Å; G190-G244 PolarHBondContact N-O 3.28Å; G190-G244 WeakPolarHBondContact O-CA 3.34Å; G190-G244 PolarHBondContact O-N 2.79Å
245S96.7Very high97.4Very high102 Ų10250.8 Ų50.871%0.71327%0.27SS*.EExtended strand (participates in β ladder)trans-98.6114.6172.2-167.50000108.6
246A97Very high97.4Very high18 Ų1849.6 Ų49.615%0.14927%0.267CS..EExtended strand (participates in β ladder)trans-129149.1-175.800000111.3T188 T242T188-A246 PolarHBondContact N-O 3.09Å; T188-A246 PolarHBondContact O-N 3.18Å; T242-A246 HydrophobicContact CG2-CB 4.42Å
247E98.1Very high97.4Very high107 Ų10742.1 Ų42.150%0.524%0.238SC..EExtended strand (participates in β ladder)trans-129.2130.1173-59.8-165.7157.200108.7I185 L186 R187I185-E247 HydrophobicContact CG2-CB 3.93Å; I185-E247 HydrophobicContact CG2-CG 4.35Å; L186-E247 WeakPolarHBondContact O-CA 3.39Å; R187-E247 VanDerWaalsContact CD-OE1 3.3Å; R187-E247 WeakPolarHBondContact CD-OE1 3.24Å; R187-E247 HydrophobicContact CG-CG 4.04Å; R187-E247 IonicContact CZ-OE1 2.88Å; R187-E247 IonicContact NE-OE1 2.58Å; R187-E247 PolarHBondContact NE-OE1 2.8Å
248L98.1Very high97.4Very high28 Ų2839.4 Ų39.415%0.14723%0.225CC..EExtended strand (participates in β ladder)trans-110.1117.4171.1-64.7172.3000108.3I185 L186 Y216 V239 F250I185-L248 WeakPolarHBondContact CA-O 3.44Å; L186-L248 HydrophobicContact CB-CB 4.38Å; L186-L248 HydrophobicContact CD2-CD1 4.44Å; L186-L248 PolarHBondContact N-O 3.04Å; L186-L248 PolarHBondContact O-N 3.08Å; Y216-L248 HydrophobicContact CE2-CD2 4.02Å; V239-L248 HydrophobicContact CG1-CD1 3.4Å; V239-L248 VanDerWaalsContact CG1-CD1 3.4Å; L248-F250 HydrophobicContact CB-CE2 3.83Å; L248-F250 HydrophobicContact CB-CZ 3.78Å; L248-F250 HydrophobicContact CD1-CZ 4.41Å; L248-F250 WeakPolarHBondContact O-CD2 3.28Å; L248-F250 WeakPolarHBondContact O-CE2 3.48Å
249L98.4Very high97.4Very high63 Ų6337.6 Ų37.633%0.3321%0.214SC..EExtended strand (participates in β ladder)trans-90.5126.7179.3177.562.8000110.6Q183 I185 Y216 F251Q183-L249 HydrophobicContact CB-CD1 3.97Å; Q183-L249 HydrophobicContact CG-CD1 4.03Å; I185-L249 HydrophobicContact CD1-CD1 4.29Å; I185-L249 HydrophobicContact CG1-CD1 3.75Å; Y216-L249 WeakPolarHBondContact CD2-O 3.21Å; L249-F251 HydrophobicContact CD2-CE2 3.71Å; L249-F251 HydrophobicContact CD2-CZ 3.64Å; L249-F251 HydrophobicContact CG-CD2 4.45Å; L249-F251 HydrophobicContact CG-CE2 3.77Å; L249-F251 HydrophobicContact CG-CZ 4.07Å
250F98.8Very high97.4Very high4 Ų442.8 Ų42.82%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-117.4152.6173.5-52.8-78.1000110.3Q183 M184 L186 L202 V214 F215 Y216 I229 L248Q183-F250 WeakPolarHBondContact CA-O 3.48Å; M184-F250 HydrophobicContact CB-CB 4.36Å; M184-F250 HydrophobicContact CE-CB 3.89Å; M184-F250 HydrophobicContact CE-CD2 4Å; M184-F250 HydrophobicContact CE-CG 4.09Å; M184-F250 PolarHBondContact N-O 3.05Å; M184-F250 WeakPolarHBondContact O-CA 3.18Å; M184-F250 WeakPolarHBondContact O-CB 3.4Å; M184-F250 WeakPolarHBondContact O-CD2 3.43Å; M184-F250 PolarHBondContact O-N 3.3Å; L186-F250 HydrophobicContact CB-CE2 3.74Å; L202-F250 HydrophobicContact CD1-CD2 4.38Å; L202-F250 HydrophobicContact CD1-CE1 3.91Å; L202-F250 HydrophobicContact CD1-CE2 3.71Å; L202-F250 HydrophobicContact CD1-CZ 3.44Å; L202-F250 VanDerWaalsContact CD1-CZ 3.44Å; V214-F250 HydrophobicContact CG1-CB 3.92Å; V214-F250 HydrophobicContact CG1-CD1 4.45Å; V214-F250 HydrophobicContact CG1-CG 4.41Å; F215-F250 CarbonylContact O-C 3.51Å; F215-F250 VanDerWaalsContact O-CA 3.28Å; F215-F250 WeakPolarHBondContact O-CA 3.34Å; Y216-F250 HydrophobicContact CD2-CD1 4.04Å; Y216-F250 AromaticContact CD2-CE1 3.81Å; Y216-F250 HydrophobicContact CD2-CE1 3.81Å; Y216-F250 HydrophobicContact CG-CD1 4.41Å; Y216-F250 HydrophobicContact CG-CE1 4.17Å; I229-F250 HydrophobicContact CD1-CD1 3.43Å; I229-F250 VanDerWaalsContact CD1-CD1 3.43Å; I229-F250 HydrophobicContact CD1-CE1 3.43Å; I229-F250 VanDerWaalsContact CD1-CE1 3.43Å; I229-F250 HydrophobicContact CD1-CG 4.44Å; I229-F250 HydrophobicContact CD1-CZ 4.45Å; L248-F250 HydrophobicContact CB-CE2 3.83Å; L248-F250 HydrophobicContact CB-CZ 3.78Å; L248-F250 HydrophobicContact CD1-CZ 4.41Å; L248-F250 WeakPolarHBondContact O-CD2 3.28Å; L248-F250 WeakPolarHBondContact O-CE2 3.48Å
251F98.9Very high97.5Very high20 Ų2038.6 Ų38.69%0.08824%0.243CC..EExtended strand (participates in β ladder)trans-118129.7174.7-66.4-95000108.3L178 M181 Q183 V214 F215 V217 L249L178-F251 HydrophobicContact CB-CD1 3.9Å; L178-F251 HydrophobicContact CB-CE1 3.95Å; L178-F251 HydrophobicContact CB-CG 4.42Å; L178-F251 HydrophobicContact CD1-CD2 4.33Å; L178-F251 HydrophobicContact CD1-CE1 4.36Å; L178-F251 HydrophobicContact CD1-CE2 4.12Å; L178-F251 HydrophobicContact CD1-CZ 4.13Å; L178-F251 HydrophobicContact CD2-CB 4.05Å; L178-F251 HydrophobicContact CD2-CD1 4.25Å; L178-F251 HydrophobicContact CD2-CD2 4.21Å; L178-F251 HydrophobicContact CD2-CG 3.91Å; L178-F251 HydrophobicContact CG-CD1 4.47Å; M181-F251 HydrophobicContact CB-CB 3.81Å; M181-F251 HydrophobicContact CB-CD1 4.23Å; M181-F251 HydrophobicContact CG-CB 4.36Å; M181-F251 HydrophobicContact SD-CB 3.66Å; Q183-F251 HydrophobicContact CG-CD1 4.23Å; Q183-F251 HydrophobicContact CG-CE1 3.95Å; V214-F251 WeakPolarHBondContact CA-O 3.12Å; F215-F251 PolarHBondContact N-O 2.8Å; F215-F251 PolarHBondContact O-N 3.41Å; V217-F251 HydrophobicContact CG2-CD2 3.59Å; V217-F251 HydrophobicContact CG2-CE2 3.52Å; L249-F251 HydrophobicContact CD2-CE2 3.71Å; L249-F251 HydrophobicContact CD2-CZ 3.64Å; L249-F251 HydrophobicContact CG-CD2 4.45Å; L249-F251 HydrophobicContact CG-CE2 3.77Å; L249-F251 HydrophobicContact CG-CZ 4.07Å
252V98.9Very high97.6Very high0 Ų037.9 Ų37.90%024%0.241CC..EExtended strand (participates in β ladder)trans-115.2132.1-174.3-171.30000108.9L151 M181 S182 M184 G213 V214 I268 F292L151-V252 HydrophobicContact CD1-CB 4.09Å; L151-V252 HydrophobicContact CD1-CG1 3.9Å; L151-V252 WeakPolarHBondContact CD1-O 3.47Å; L151-V252 HydrophobicContact CD2-CG1 3.91Å; M181-V252 CarbonylContact C-O 3.6Å; M181-V252 VanDerWaalsContact CA-O 3.23Å; M181-V252 WeakPolarHBondContact CA-O 3.37Å; M181-V252 VanDerWaalsContact CB-O 3.29Å; M181-V252 WeakPolarHBondContact CB-O 3.34Å; S182-V252 PolarHBondContact N-O 3.12Å; S182-V252 PolarHBondContact O-N 3.48Å; M184-V252 HydrophobicContact CB-CG2 3.94Å; M184-V252 HydrophobicContact CE-CG2 4.28Å; M184-V252 HydrophobicContact SD-CG2 4.43Å; G213-V252 WeakPolarHBondContact O-CA 3.45Å; V214-V252 HydrophobicContact CG1-CG2 4.38Å; V214-V252 HydrophobicContact CG2-CG1 4.33Å; V214-V252 HydrophobicContact CG2-CG2 4.34Å; V252-I268 HydrophobicContact CG1-CD1 3.95Å; V252-I268 HydrophobicContact CG2-CD1 4.08Å; V252-F292 HydrophobicContact CG2-CE2 4.39Å; V252-F292 HydrophobicContact CG2-CZ 4.29Å
253E98.9Very high97.9Very high5 Ų537.3 Ų37.32%0.02324%0.24CC..EExtended strand (participates in β ladder)trans-117146.5172.660.9173.1-176.700111.6N154 M181 V212 G213 F215 L255N154-E253 HydrophobicContact CB-CB 3.87Å; N154-E253 WeakPolarHBondContact CB-OE2 3.41Å; N154-E253 PolarHBondContact ND2-OE2 3.26Å; M181-E253 HydrophobicContact CE-CB 4.11Å; M181-E253 HydrophobicContact CE-CG 4.31Å; M181-E253 HydrophobicContact CG-CB 4.08Å; M181-E253 HydrophobicContact SD-CB 4.31Å; V212-E253 VanDerWaalsContact CA-O 3.31Å; V212-E253 WeakPolarHBondContact CA-O 3.4Å; G213-E253 PolarHBondContact N-O 2.8Å; G213-E253 PolarHBondContact O-N 3.28Å; F215-E253 HydrophobicContact CE2-CG 4.02Å; F215-E253 WeakPolarHBondContact CE2-OE1 3.34Å; E253-L255 HydrophobicContact CG-CD2 3.91Å; E253-L255 WeakPolarHBondContact OE1-CD2 3.44Å
254G98.8Very high98.2Very high0 Ų036.3 Ų36.30%023%0.23CC..EExtended strand (participates in β ladder)trans-86.9139.716700000110.8L152 V153 N154L152-G254 VanDerWaalsContact O-CA 3.27Å; L152-G254 WeakPolarHBondContact O-CA 3.33Å; L152-G254 PolarHBondContact O-N 3.03Å; V153-G254 VanDerWaalsContact CA-O 3.32Å; V153-G254 WeakPolarHBondContact CA-O 3.45Å; N154-G254 PolarHBondContact N-O 3.32Å
255L98.8Very high98.3Very high12 Ų1237.6 Ų37.66%0.06323%0.229CC..  trans-108.4-12.8-178.3-51.3-179.3000113C167 K211 V212 R232 E253C167-L255 HydrophobicContact CB-CD2 3.64Å; K211-L255 PolarHBondContact O-N 2.78Å; V212-L255 VanDerWaalsContact C-CD1 3.49Å; V212-L255 WeakPolarHBondContact O-CD1 3.43Å; R232-L255 HydrophobicContact CG-CD1 4.31Å; E253-L255 HydrophobicContact CG-CD2 3.91Å; E253-L255 WeakPolarHBondContact OE1-CD2 3.44Å
256C98.6Very high98.4Very high35 Ų3532.8 Ų32.824%0.23620%0.195CC..SBendtrans-149.1130-170.6-172.80000110.2K211 I294K211-C256 HydrophobicContact CD-CB 3.64Å; C256-I294 WeakPolarHBondContact O-CD1 3.28Å
257F98.9Very high98.5Very high6 Ų633.3 Ų33.33%0.02620%0.198CC..  trans-67.4157.2170.7-79.3-83.5000111.7V153 C155 D259 F262 W297 I358 V367 V393 F450V153-F257 HydrophobicContact CB-CD2 4.15Å; V153-F257 HydrophobicContact CB-CE1 4.27Å; V153-F257 HydrophobicContact CB-CE2 3.78Å; V153-F257 HydrophobicContact CB-CZ 3.84Å; V153-F257 HydrophobicContact CG1-CD2 4.05Å; V153-F257 HydrophobicContact CG1-CE2 3.81Å; V153-F257 HydrophobicContact CG1-CZ 4.38Å; V153-F257 HydrophobicContact CG2-CB 4.48Å; V153-F257 HydrophobicContact CG2-CD1 3.84Å; V153-F257 HydrophobicContact CG2-CD2 3.85Å; V153-F257 HydrophobicContact CG2-CE1 3.92Å; V153-F257 HydrophobicContact CG2-CE2 3.93Å; V153-F257 HydrophobicContact CG2-CG 3.81Å; V153-F257 HydrophobicContact CG2-CZ 3.96Å; C155-F257 HydrophobicContact CB-CE2 4.48Å; F257-D259 PolarHBondContact O-N 3.39Å; F257-F262 WeakPolarHBondContact O-CD1 3.22Å; F257-W297 HydrophobicContact CD1-CB 4.16Å; F257-W297 HydrophobicContact CE1-CB 3.92Å; F257-I358 HydrophobicContact CE1-CG2 3.49Å; F257-I358 VanDerWaalsContact CE1-CG2 3.49Å; F257-I358 HydrophobicContact CZ-CG2 3.76Å; F257-V367 HydrophobicContact CZ-CG1 4.25Å; F257-V393 HydrophobicContact CD2-CB 4.29Å; F257-V393 HydrophobicContact CD2-CG2 3.8Å; F257-V393 HydrophobicContact CE2-CB 3.99Å; F257-V393 HydrophobicContact CE2-CG1 4.37Å; F257-V393 HydrophobicContact CE2-CG2 4.02Å; F257-F450 HydrophobicContact CB-CE2 3.73Å; F257-F450 HydrophobicContact CG-CE2 4.16Å
258P98.8Very high98.6Very high5 Ų528.2 Ų28.23%0.03217%0.174CC..SBendtrans-49.4137.9165.5-24.234.2000111.1A453 Q454P258-A453 HydrophobicContact CB-CB 4.49Å; P258-A453 WeakPolarHBondContact CB-O 3.45Å; P258-Q454 PolarHBondContact O-NE2 3.14Å
259D98.6Very high98.6Very high31 Ų3128.6 Ų28.617%0.16618%0.175CC..BIsolated β-bridgetrans-155178.4-175.2-143.2-38000111.6F257 G261 F262 R395F257-D259 PolarHBondContact O-N 3.39Å; D259-G261 PolarHBondContact O-N 2.98Å; D259-G261 VanDerWaalsContact O-N 3.16Å; D259-F262 PolarHBondContact N-O 2.96Å; D259-F262 CarbonylContact O-C 3.55Å; D259-F262 PolarHBondContact O-N 3.04Å; D259-R395 IonicContact OD2-CZ 3.17Å; D259-R395 IonicContact OD2-NE 2.7Å; D259-R395 PolarHBondContact OD2-NE 3.1Å; D259-R395 IonicContact OD2-NH2 2.77Å; D259-R395 PolarHBondContact OD2-NH2 3.31Å
260E96.9Very high98.6Very high120 Ų12025.6 Ų25.656%0.56116%0.159SC*.THydrogen-bonded Turntrans-54.9121.3170.2-170.575.1164.500110F262 K445 D449E260-F262 VanDerWaalsContact C-N 3.3Å; E260-F262 PolarHBondContact O-N 3.04Å; E260-K445 IonicContact OE1-NZ 3.83Å; E260-D449 HydrophobicContact CB-CB 4.06Å
261G97.3Very high98.6Very high87 Ų8725.4 Ų25.490%0.89716%0.159SC*.THydrogen-bonded Turntrans81.6-1.7-176.900000115.3D259D259-G261 PolarHBondContact O-N 2.98Å; D259-G261 VanDerWaalsContact O-N 3.16Å
262F98.7Very high98.6Very high23 Ų2324.5 Ų24.510%0.10116%0.155CC..BIsolated β-bridgetrans-131.6110.2175.2176.5-124.5000112.5K211 F257 D259 E260 G264 V266 I294K211-F262 HydrophobicContact CB-CE2 4.44Å; K211-F262 HydrophobicContact CB-CZ 4.21Å; K211-F262 HydrophobicContact CD-CD1 4.25Å; K211-F262 HydrophobicContact CD-CD2 4.31Å; K211-F262 HydrophobicContact CD-CE1 4.19Å; K211-F262 HydrophobicContact CD-CE2 4.25Å; K211-F262 HydrophobicContact CD-CG 4.32Å; K211-F262 HydrophobicContact CD-CZ 4.19Å; K211-F262 HydrophobicContact CG-CD2 4.43Å; K211-F262 HydrophobicContact CG-CE2 4.05Å; K211-F262 HydrophobicContact CG-CZ 4.18Å; F257-F262 WeakPolarHBondContact O-CD1 3.22Å; D259-F262 PolarHBondContact N-O 2.96Å; D259-F262 CarbonylContact O-C 3.55Å; D259-F262 PolarHBondContact O-N 3.04Å; E260-F262 VanDerWaalsContact C-N 3.3Å; E260-F262 PolarHBondContact O-N 3.04Å; F262-G264 VanDerWaalsContact CZ-CA 3.44Å; F262-G264 PolarHBondContact O-N 2.73Å; F262-G264 VanDerWaalsContact O-N 3.15Å; F262-V266 HydrophobicContact CE2-CG1 3.89Å; F262-V266 HydrophobicContact CZ-CG1 3.88Å; F262-I294 HydrophobicContact CE1-CD1 3.94Å; F262-I294 HydrophobicContact CZ-CD1 3.76Å; F262-I294 HydrophobicContact CZ-CG1 4.44Å
263S98.4Very high98.6Very high64 Ų6425.9 Ų25.945%0.44816%0.162SC..  trans-70.9-8-174.971.50000115.7L265 R293S263-L265 VanDerWaalsContact C-N 3.31Å; S263-L265 PolarHBondContact OG-N 2.97Å; S263-R293 PolarHBondContact O-NH1 3.07Å
264G98.6Very high98.5Very high0 Ų027.7 Ų27.70%017%0.171CC..SBendtrans84.1-5.3-169.200000114.8F262 R293 I294F262-G264 VanDerWaalsContact CZ-CA 3.44Å; F262-G264 PolarHBondContact O-N 2.73Å; F262-G264 VanDerWaalsContact O-N 3.15Å; G264-R293 CarbonylContact O-C 3.49Å; G264-R293 WeakPolarHBondContact O-CA 3.34Å; G264-I294 PolarHBondContact O-N 2.77Å
265L98.9Very high98.4Very high59 Ų5933.6 Ų33.631%0.30919%0.194SC..EExtended strand (participates in β ladder)trans-89.9134.5177.5-65.4174.4000111.6W140 S263 I291 F292 R293W140-L265 HydrophobicContact CB-CD2 3.74Å; W140-L265 HydrophobicContact CG-CD2 4.01Å; S263-L265 VanDerWaalsContact C-N 3.31Å; S263-L265 PolarHBondContact OG-N 2.97Å; L265-I291 HydrophobicContact CD2-CG2 3.9Å; L265-F292 WeakPolarHBondContact CA-O 3.4Å; L265-R293 HydrophobicContact CD2-CB 3.96Å; L265-R293 HydrophobicContact CD2-CG 4.46Å
266V98.9Very high98.2Very high1 Ų137.2 Ų37.21%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-136.9148.7177.2-63.40000109.6L151 D208 K211 V212 F262 I291 F292L151-V266 HydrophobicContact CD2-CG2 4.39Å; D208-V266 HydrophobicContact CB-CG1 4.44Å; K211-V266 HydrophobicContact CB-CG1 3.89Å; V212-V266 HydrophobicContact CG1-CB 3.91Å; V212-V266 HydrophobicContact CG1-CG1 3.99Å; V212-V266 HydrophobicContact CG1-CG2 3.55Å; F262-V266 HydrophobicContact CE2-CG1 3.89Å; F262-V266 HydrophobicContact CZ-CG1 3.88Å; V266-I291 WeakPolarHBondContact O-CA 3.38Å; V266-F292 HydrophobicContact CG2-CB 3.77Å; V266-F292 PolarHBondContact N-O 3.3Å; V266-F292 PolarHBondContact O-N 2.83Å
267S98.9Very high97.9Very high30 Ų3037.4 Ų37.421%0.2122%0.215CC..EExtended strand (participates in β ladder)trans-121.6139.8-177.7-57.10000111.4V290S267-V290 WeakPolarHBondContact CA-O 3.48Å
268I98.9Very high97.8Very high0 Ų044.2 Ų44.20%025%0.247CC..EExtended strand (participates in β ladder)trans-122.5136.6171.7-55.7173.7000108.3L120 M184 I204 V214 L230 V252 T289 V290 F292L120-I268 HydrophobicContact CD2-CG2 4.17Å; M184-I268 HydrophobicContact CE-CD1 4.25Å; M184-I268 HydrophobicContact CE-CG2 4Å; M184-I268 HydrophobicContact SD-CB 4.16Å; M184-I268 HydrophobicContact SD-CD1 3.92Å; M184-I268 HydrophobicContact SD-CG2 3.88Å; I204-I268 HydrophobicContact CG2-CB 4.41Å; I204-I268 HydrophobicContact CG2-CG1 3.91Å; I204-I268 HydrophobicContact CG2-CG2 4.38Å; V214-I268 HydrophobicContact CG2-CD1 3.91Å; L230-I268 HydrophobicContact CD1-CG2 4.29Å; V252-I268 HydrophobicContact CG1-CD1 3.95Å; V252-I268 HydrophobicContact CG2-CD1 4.08Å; I268-T289 WeakPolarHBondContact O-CA 3.45Å; I268-V290 HydrophobicContact CB-CG2 4.02Å; I268-V290 PolarHBondContact N-O 3.42Å; I268-V290 PolarHBondContact O-N 2.73Å; I268-F292 HydrophobicContact CD1-CD2 4.35Å; I268-F292 HydrophobicContact CD1-CE2 4.09Å
269H98.9Very high97.6Very high35 Ų3551.4 Ų51.416%0.16229%0.285CS..EExtended strand (participates in β ladder)trans-122.6144.9-173.4-48.3-79.7000110.8L202 Y203 T287 D288 T289L202-H269 CarbonylContact C-O 3.58Å; L202-H269 VanDerWaalsContact CA-O 3.32Å; L202-H269 WeakPolarHBondContact CA-O 3.36Å; Y203-H269 HydrophobicContact CD1-CB 3.96Å; Y203-H269 HydrophobicContact CD2-CB 4.03Å; Y203-H269 AromaticContact CD2-CD2 3.82Å; Y203-H269 HydrophobicContact CE1-CB 3.52Å; Y203-H269 HydrophobicContact CE2-CB 3.59Å; Y203-H269 AromaticContact CE2-CD2 3.48Å; Y203-H269 VanDerWaalsContact CE2-CD2 3.48Å; Y203-H269 WeakPolarHBondContact CE2-CD2 3.34Å; Y203-H269 AromaticContact CE2-CG 3.64Å; Y203-H269 HydrophobicContact CG-CB 4.2Å; Y203-H269 AromaticContact CZ-CG 3.78Å; Y203-H269 PolarHBondContact N-O 3Å; Y203-H269 PolarHBondContact O-N 3.48Å; H269-T287 HydrophobicContact CB-CG2 4.43Å; H269-D288 WeakPolarHBondContact CA-O 3.42Å; H269-T289 WeakPolarHBondContact ND1-CG2 3.19Å; H269-T289 PolarHBondContact ND1-OG1 3.27Å
270V98.8Very high97.4Very high0 Ų054.2 Ų54.20%030%0.3CS..EExtended strand (participates in β ladder)trans-116.4137.7160.666.40000108.4I118 L120 L186 V201 L202 T287 D288I118-V270 HydrophobicContact CG2-CG1 4.07Å; I118-V270 HydrophobicContact CG2-CG2 4.5Å; L120-V270 HydrophobicContact CB-CB 4.47Å; L120-V270 HydrophobicContact CB-CG1 3.76Å; L120-V270 HydrophobicContact CD2-CB 4.36Å; L120-V270 HydrophobicContact CD2-CG1 4.39Å; L186-V270 HydrophobicContact CD1-CB 4.46Å; L186-V270 HydrophobicContact CD1-CG1 4.22Å; L186-V270 HydrophobicContact CD1-CG2 4.06Å; L186-V270 HydrophobicContact CD2-CG2 4.26Å; V201-V270 CarbonylContact O-C 3.54Å; V201-V270 WeakPolarHBondContact O-CA 3.47Å; L202-V270 HydrophobicContact CD2-CB 3.78Å; L202-V270 HydrophobicContact CD2-CG2 4.13Å; L202-V270 HydrophobicContact CG-CG2 4.41Å; V270-T287 WeakPolarHBondContact O-CA 3.37Å; V270-D288 HydrophobicContact CG1-CB 3.85Å; V270-D288 PolarHBondContact N-O 2.75Å; V270-D288 PolarHBondContact O-N 2.75Å
271S98.7Very high97.4Very high1 Ų153.5 Ų53.51%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-132141.1172-67.50000112.9M200 V201 Y203 F286 T287M200-S271 WeakPolarHBondContact CA-O 3.37Å; V201-S271 PolarHBondContact N-O 3.36Å; V201-S271 PolarHBondContact O-N 3.44Å; Y203-S271 WeakPolarHBondContact CE1-OG 3.06Å; Y203-S271 PolarHBondContact OH-OG 3.17Å; S271-F286 CarbonylContact C-O 3.49Å; S271-F286 WeakPolarHBondContact CA-O 3.4Å; S271-F286 WeakPolarHBondContact CB-O 3.44Å; S271-F286 PolarHBondContact OG-O 2.75Å; S271-T287 WeakPolarHBondContact OG-CB 3.24Å; S271-T287 WeakPolarHBondContact OG-CG2 3.3Å; S271-T287 PolarHBondContact OG-OG1 2.88Å
272L98.6Very high97.4Very high0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-84.9120.5163.9-179.571000107.5V18 V20 I116 I118 L194 Y198 M200 I285 F286V18-L272 HydrophobicContact CB-CD2 3.97Å; V18-L272 HydrophobicContact CG1-CD2 3.54Å; V20-L272 HydrophobicContact CG2-CD2 4.01Å; I116-L272 HydrophobicContact CD1-CD1 4.35Å; I116-L272 HydrophobicContact CD1-CD2 4.22Å; I118-L272 HydrophobicContact CD1-CB 4Å; I118-L272 HydrophobicContact CD1-CD1 4.35Å; I118-L272 HydrophobicContact CD1-CD2 4.49Å; L194-L272 HydrophobicContact CD1-CD1 4.36Å; Y198-L272 HydrophobicContact CD1-CD1 4.07Å; Y198-L272 HydrophobicContact CD1-CD2 4.01Å; Y198-L272 HydrophobicContact CD1-CG 3.97Å; Y198-L272 HydrophobicContact CE1-CD2 4.32Å; M200-L272 HydrophobicContact CG-CD1 4.09Å; L272-I285 HydrophobicContact CD2-CB 4.31Å; L272-I285 HydrophobicContact CD2-CG2 4.17Å; L272-I285 HydrophobicContact CG-CB 4.45Å; L272-I285 WeakPolarHBondContact O-CB 3.48Å; L272-I285 PolarHBondContact O-N 3.17Å; L272-F286 HydrophobicContact CB-CB 4.23Å; L272-F286 PolarHBondContact N-O 3.34Å
273L98.3Very high97.3Very high29 Ų2953.8 Ų53.815%0.15229%0.289CS..EExtended strand (participates in β ladder)trans-108.8140.3-177.7-58.1-170.4000110.3Y198 E199 V201 L282 T283 P284Y198-L273 VanDerWaalsContact CA-O 3.31Å; Y198-L273 WeakPolarHBondContact CA-O 3.4Å; E199-L273 HydrophobicContact CG-CB 4.09Å; E199-L273 PolarHBondContact N-O 3.4Å; E199-L273 PolarHBondContact O-N 3.21Å; V201-L273 HydrophobicContact CB-CD1 4.02Å; V201-L273 HydrophobicContact CB-CG 4.45Å; V201-L273 HydrophobicContact CG2-CD1 3.5Å; V201-L273 HydrophobicContact CG2-CG 4.12Å; L273-L282 HydrophobicContact CB-CB 3.95Å; L273-L282 HydrophobicContact CB-CD2 3.76Å; L273-L282 HydrophobicContact CD1-CB 4.21Å; L273-L282 HydrophobicContact CD1-CD2 4.12Å; L273-T283 WeakPolarHBondContact CA-O 3.28Å; L273-P284 HydrophobicContact CD2-CB 3.93Å
274E98.1Very high97.3Very high44 Ų4454.7 Ų54.721%0.20629%0.293CS..EExtended strand (participates in β ladder)trans-111.7127.7174.1-179.9171.3-144.100110.4G197 Y198 M276 L282 T283 I285G197-E274 CarbonylContact O-C 3.58Å; G197-E274 WeakPolarHBondContact O-CA 3.38Å; Y198-E274 HydrophobicContact CD1-CB 4.25Å; Y198-E274 HydrophobicContact CE1-CB 3.91Å; Y198-E274 HydrophobicContact CE1-CG 4.14Å; Y198-E274 HydrophobicContact CE2-CG 4.31Å; Y198-E274 PolarHBondContact OH-OE1 3.29Å; E274-M276 HydrophobicContact CB-CE 4.03Å; E274-M276 HydrophobicContact CG-CE 3.71Å; E274-M276 HydrophobicContact CG-SD 4.49Å; E274-M276 WeakPolarHBondContact OE2-CE 3.34Å; E274-L282 CarbonylContact O-C 3.53Å; E274-L282 VanDerWaalsContact O-CA 3.31Å; E274-L282 WeakPolarHBondContact O-CA 3.23Å; E274-T283 PolarHBondContact N-O 2.99Å; E274-T283 PolarHBondContact O-N 2.74Å; E274-I285 HydrophobicContact CB-CD1 3.8Å; E274-I285 HydrophobicContact CB-CG1 3.53Å; E274-I285 WeakPolarHBondContact OE2-CD1 3.47Å
275Y96.9Very high97.2Very high124 Ų12456 Ų5649%0.48630%0.3SS..  trans-75.6126.3172.8175.1-94.8000110.2G197 A277 Q278G197-Y275 WeakPolarHBondContact O-CB 3.25Å; G197-Y275 PolarHBondContact O-N 3.31Å; Y275-A277 VanDerWaalsContact CZ-C 3.46Å; Y275-A277 VanDerWaalsContact OH-C 3.24Å; Y275-Q278 PolarHBondContact OH-N 3.48Å
276M92.8Very high97.2Very high87 Ų8754.4 Ų54.443%0.42929%0.291SS..  trans-98.1-63.9180-63.2-63165.300111E274 I280 T283E274-M276 HydrophobicContact CB-CE 4.03Å; E274-M276 HydrophobicContact CG-CE 3.71Å; E274-M276 HydrophobicContact CG-SD 4.49Å; E274-M276 WeakPolarHBondContact OE2-CE 3.34Å; M276-I280 HydrophobicContact CB-CB 4.22Å; M276-I280 HydrophobicContact CB-CG2 3.8Å; M276-I280 HydrophobicContact CG-CG2 4.3Å; M276-T283 VanDerWaalsContact CE-CB 3.46Å; M276-T283 HydrophobicContact CE-CG2 4.15Å; M276-T283 VanDerWaalsContact CE-OG1 3.22Å; M276-T283 WeakPolarHBondContact CE-OG1 3.11Å
277A94.1Very high97.1Very high39 Ų3956.1 Ų56.132%0.32230%0.301SS..SBendtrans-161.5173.1176.700000109.8Y275 I280Y275-A277 VanDerWaalsContact CZ-C 3.46Å; Y275-A277 VanDerWaalsContact OH-C 3.24Å; A277-I280 HydrophobicContact CB-CD1 3.88Å; A277-I280 HydrophobicContact CB-CG1 4.24Å; A277-I280 PolarHBondContact O-N 3.23Å
278Q94.8Very high97.1Very high150 Ų15055.6 Ų55.670%0.70130%0.296SS*.THydrogen-bonded Turntrans-59.2141.1170.9-171174.3-2.200109.9Y275 I280Y275-Q278 PolarHBondContact OH-N 3.48Å; Q278-I280 PolarHBondContact O-N 3.36Å; Q278-I280 VanDerWaalsContact O-N 3.14Å
279D94.6Very high97.1Very high156 Ų15657 Ų5783%0.83431%0.305SS*.THydrogen-bonded Turntrans656.1-178.3-49.4-45.7000115.8
280I95.9Very high97.1Very high90 Ų9055.3 Ų55.346%0.46230%0.297SS..SBendtrans-104.7130.3171-56.8-173.9000108.6M276 A277 Q278M276-I280 HydrophobicContact CB-CB 4.22Å; M276-I280 HydrophobicContact CB-CG2 3.8Å; M276-I280 HydrophobicContact CG-CG2 4.3Å; A277-I280 HydrophobicContact CB-CD1 3.88Å; A277-I280 HydrophobicContact CB-CG1 4.24Å; A277-I280 PolarHBondContact O-N 3.23Å; Q278-I280 PolarHBondContact O-N 3.36Å; Q278-I280 VanDerWaalsContact O-N 3.14Å
281P95.8Very high97.1Very high105 Ų10556.7 Ų56.768%0.68230%0.304SS*.PPolyproline II helixtrans-60.7144.9176.726.8-35000110.8T283P281-T283 PolarHBondContact O-N 3.47Å
282L97.3Very high97.1Very high62 Ų6256.8 Ų56.833%0.32530%0.304SS..PPolyproline II helixtrans-63.1139.9174-72.672.6000109.5E199 L273 E274E199-L282 HydrophobicContact CG-CD2 3.84Å; E199-L282 VanDerWaalsContact OE1-CD2 3.29Å; E199-L282 WeakPolarHBondContact OE1-CD2 3.14Å; L273-L282 HydrophobicContact CB-CB 3.95Å; L273-L282 HydrophobicContact CB-CD2 3.76Å; L273-L282 HydrophobicContact CD1-CB 4.21Å; L273-L282 HydrophobicContact CD1-CD2 4.12Å; E274-L282 CarbonylContact O-C 3.53Å; E274-L282 VanDerWaalsContact O-CA 3.31Å; E274-L282 WeakPolarHBondContact O-CA 3.23Å
283T97.8Very high97.1Very high54 Ų5457.8 Ų57.833%0.33131%0.308SS..EExtended strand (participates in β ladder)trans-89.3126.2-177.8-610000110L273 E274 M276 P281 I285L273-T283 WeakPolarHBondContact CA-O 3.28Å; E274-T283 PolarHBondContact N-O 2.99Å; E274-T283 PolarHBondContact O-N 2.74Å; M276-T283 VanDerWaalsContact CE-CB 3.46Å; M276-T283 HydrophobicContact CE-CG2 4.15Å; M276-T283 VanDerWaalsContact CE-OG1 3.22Å; M276-T283 WeakPolarHBondContact CE-OG1 3.11Å; P281-T283 PolarHBondContact O-N 3.47Å; T283-I285 HydrophobicContact CG2-CD1 3.92Å; T283-I285 PolarHBondContact O-N 2.85Å
284P97.4Very high97.2Very high82 Ų8256.4 Ų56.453%0.53230%0.301SS..EExtended strand (participates in β ladder)trans-73.3108.717429.3-32.7000110.4L273L273-P284 HydrophobicContact CD2-CB 3.93Å
285I96.8Very high97.2Very high27 Ų2754.3 Ų54.314%0.13829%0.291CS..EExtended strand (participates in β ladder)trans-83.8-34.7-176.5-61.9-50.3000112.3Y198 L272 E274 T283Y198-I285 HydrophobicContact CE1-CG1 4.17Å; L272-I285 HydrophobicContact CD2-CB 4.31Å; L272-I285 HydrophobicContact CD2-CG2 4.17Å; L272-I285 HydrophobicContact CG-CB 4.45Å; L272-I285 WeakPolarHBondContact O-CB 3.48Å; L272-I285 PolarHBondContact O-N 3.17Å; E274-I285 HydrophobicContact CB-CD1 3.8Å; E274-I285 HydrophobicContact CB-CG1 3.53Å; E274-I285 WeakPolarHBondContact OE2-CD1 3.47Å; T283-I285 HydrophobicContact CG2-CD1 3.92Å; T283-I285 PolarHBondContact O-N 2.85Å
286F98.1Very high97.3Very high27 Ų2748.6 Ų48.612%0.11827%0.269CS..EExtended strand (participates in β ladder)trans-149.4141.4178171.6-97000108.6V20 T23 I118 S271 L272 D288V20-F286 HydrophobicContact CB-CB 4.33Å; V20-F286 HydrophobicContact CB-CD2 3.94Å; V20-F286 HydrophobicContact CB-CE2 4.38Å; V20-F286 HydrophobicContact CB-CG 4.03Å; V20-F286 HydrophobicContact CG1-CD1 3.94Å; V20-F286 HydrophobicContact CG1-CD2 3.74Å; V20-F286 HydrophobicContact CG1-CE1 3.94Å; V20-F286 HydrophobicContact CG1-CE2 3.75Å; V20-F286 HydrophobicContact CG1-CG 3.83Å; V20-F286 HydrophobicContact CG1-CZ 3.84Å; V20-F286 HydrophobicContact CG2-CB 3.75Å; V20-F286 HydrophobicContact CG2-CD1 4.35Å; V20-F286 HydrophobicContact CG2-CD2 4.29Å; V20-F286 HydrophobicContact CG2-CG 3.89Å; T23-F286 HydrophobicContact CG2-CD2 4.11Å; T23-F286 HydrophobicContact CG2-CE2 4.22Å; I118-F286 HydrophobicContact CB-CD1 4.33Å; I118-F286 HydrophobicContact CB-CE1 3.97Å; I118-F286 HydrophobicContact CD1-CD1 4.44Å; I118-F286 HydrophobicContact CG2-CD1 4.4Å; I118-F286 HydrophobicContact CG2-CE1 4.04Å; S271-F286 CarbonylContact C-O 3.49Å; S271-F286 WeakPolarHBondContact CA-O 3.4Å; S271-F286 WeakPolarHBondContact CB-O 3.44Å; S271-F286 PolarHBondContact OG-O 2.75Å; L272-F286 HydrophobicContact CB-CB 4.23Å; L272-F286 PolarHBondContact N-O 3.34Å; F286-D288 HydrophobicContact CE1-CB 3.73Å; F286-D288 HydrophobicContact CZ-CB 3.9Å
287T98.3Very high97.6Very high37 Ų3744.5 Ų44.523%0.22725%0.249CC..EExtended strand (participates in β ladder)trans-135.3127.8174.8-550000109.8R3 H269 V270 S271R3-T287 PolarHBondContact NH1-O 3.26Å; H269-T287 HydrophobicContact CB-CG2 4.43Å; V270-T287 WeakPolarHBondContact O-CA 3.37Å; S271-T287 WeakPolarHBondContact OG-CB 3.24Å; S271-T287 WeakPolarHBondContact OG-CG2 3.3Å; S271-T287 PolarHBondContact OG-OG1 2.88Å
288D98.6Very high97.8Very high18 Ų1842.6 Ų42.610%0.09623%0.233CC..EExtended strand (participates in β ladder)trans-114.2149.8168.6-167.720.4000109.6L120 K137 H269 V270 F286L120-D288 PolarHBondContact N-OD2 3.24Å; K137-D288 VanDerWaalsContact CE-OD1 3.23Å; K137-D288 WeakPolarHBondContact CE-OD1 3.49Å; K137-D288 WeakPolarHBondContact CE-OD2 3.49Å; K137-D288 IonicContact NZ-OD1 3.74Å; K137-D288 IonicContact NZ-OD2 2.83Å; K137-D288 PolarHBondContact NZ-OD2 3.12Å; H269-D288 WeakPolarHBondContact CA-O 3.42Å; V270-D288 HydrophobicContact CG1-CB 3.85Å; V270-D288 PolarHBondContact N-O 2.75Å; V270-D288 PolarHBondContact O-N 2.75Å; F286-D288 HydrophobicContact CE1-CB 3.73Å; F286-D288 HydrophobicContact CZ-CB 3.9Å
289T98.8Very high98Very high30 Ų3035.5 Ų35.518%0.18420%0.2CC..EExtended strand (participates in β ladder)trans-144.6138-168.2-61.60000111A138 I268 H269A138-T289 WeakPolarHBondContact CB-O 3.27Å; I268-T289 WeakPolarHBondContact O-CA 3.45Å; H269-T289 WeakPolarHBondContact ND1-CG2 3.19Å; H269-T289 PolarHBondContact ND1-OG1 3.27Å
290V98.9Very high98.2Very high0 Ų028.6 Ų28.60%016%0.164CC..EExtended strand (participates in β ladder)trans-122145.4173.1-61.20000109.9L120 V122 K137 M184 S267 I268 F292L120-V290 HydrophobicContact CB-CG1 4.31Å; L120-V290 HydrophobicContact CD2-CG1 4.34Å; L120-V290 HydrophobicContact CD2-CG2 3.84Å; L120-V290 HydrophobicContact CG-CG1 4.06Å; L120-V290 HydrophobicContact CG-CG2 4.2Å; L120-V290 WeakPolarHBondContact O-CG1 3.4Å; V122-V290 HydrophobicContact CG1-CB 3.84Å; V122-V290 HydrophobicContact CG1-CG1 3.96Å; V122-V290 HydrophobicContact CG1-CG2 3.78Å; V122-V290 HydrophobicContact CG2-CB 3.88Å; V122-V290 HydrophobicContact CG2-CG1 3.9Å; K137-V290 HydrophobicContact CB-CG1 4.31Å; K137-V290 HydrophobicContact CD-CG1 4.01Å; K137-V290 HydrophobicContact CG-CG1 4.08Å; K137-V290 WeakPolarHBondContact O-CA 3.31Å; M184-V290 HydrophobicContact SD-CG2 3.93Å; S267-V290 WeakPolarHBondContact CA-O 3.48Å; I268-V290 HydrophobicContact CB-CG2 4.02Å; I268-V290 PolarHBondContact N-O 3.42Å; I268-V290 PolarHBondContact O-N 2.73Å; V290-F292 HydrophobicContact CG2-CE2 4.12Å
291I98.9Very high98.4Very high29 Ų2924.4 Ų24.415%0.14914%0.142CC..EExtended strand (participates in β ladder)trans-115.4134177-64.1-170.4000109.7K137 A138 W140 A149 L265 V266K137-I291 PolarHBondContact O-N 3.26Å; A138-I291 WeakPolarHBondContact O-CD1 3.41Å; W140-I291 HydrophobicContact CB-CG2 4.1Å; A149-I291 PolarHBondContact N-O 3.38Å; L265-I291 HydrophobicContact CD2-CG2 3.9Å; V266-I291 WeakPolarHBondContact O-CA 3.38Å
292F98.9Very high98.5Very high2 Ų220.2 Ų20.21%0.00911%0.114CC..EExtended strand (participates in β ladder)trans-109.8145167.3-71.3-90.6000110.4V122 A149 L151 V252 L265 V266 I268 V290V122-F292 HydrophobicContact CB-CE1 4.48Å; V122-F292 HydrophobicContact CB-CZ 4.02Å; V122-F292 HydrophobicContact CG1-CE1 4.25Å; V122-F292 HydrophobicContact CG1-CE2 3.68Å; V122-F292 HydrophobicContact CG1-CZ 3.35Å; A149-F292 HydrophobicContact CB-CD1 3.5Å; A149-F292 HydrophobicContact CB-CE1 3.54Å; A149-F292 HydrophobicContact CB-CG 4.21Å; A149-F292 HydrophobicContact CB-CZ 4.27Å; A149-F292 WeakPolarHBondContact O-CA 3.44Å; L151-F292 HydrophobicContact CB-CB 3.96Å; L151-F292 HydrophobicContact CB-CD1 3.89Å; L151-F292 HydrophobicContact CB-CG 4.21Å; L151-F292 HydrophobicContact CD2-CB 4.34Å; V252-F292 HydrophobicContact CG2-CE2 4.39Å; V252-F292 HydrophobicContact CG2-CZ 4.29Å; L265-F292 WeakPolarHBondContact CA-O 3.4Å; V266-F292 HydrophobicContact CG2-CB 3.77Å; V266-F292 PolarHBondContact N-O 3.3Å; V266-F292 PolarHBondContact O-N 2.83Å; I268-F292 HydrophobicContact CD1-CD2 4.35Å; I268-F292 HydrophobicContact CD1-CE2 4.09Å; V290-F292 HydrophobicContact CG2-CE2 4.12Å
293R98.9Very high98.6Very high21 Ų2119.3 Ų19.38%0.07911%0.109CC..EExtended strand (participates in β ladder)trans-103.4124.9158.9179175.2-66.6-74-2.9109.5W140 A149 I150 L151 S263 G264 L265 A295 W660W140-R293 HydrophobicContact CD2-CB 3.9Å; W140-R293 VanDerWaalsContact CD2-NE 3.33Å; W140-R293 VanDerWaalsContact CE2-CB 3.44Å; W140-R293 HydrophobicContact CG-CB 4.01Å; W140-R293 VanDerWaalsContact CH2-NE 3.34Å; W140-R293 HydrophobicContact CZ2-CB 3.97Å; W140-R293 VanDerWaalsContact CZ2-CD 3.41Å; W140-R293 HydrophobicContact CZ2-CG 4.24Å; W140-R293 VanDerWaalsContact NE1-CB 3.26Å; A149-R293 PolarHBondContact O-N 2.82Å; I150-R293 WeakPolarHBondContact CA-O 3.43Å; L151-R293 PolarHBondContact N-O 3.1Å; S263-R293 PolarHBondContact O-NH1 3.07Å; G264-R293 CarbonylContact O-C 3.49Å; G264-R293 WeakPolarHBondContact O-CA 3.34Å; L265-R293 HydrophobicContact CD2-CB 3.96Å; L265-R293 HydrophobicContact CD2-CG 4.46Å; R293-A295 PolarHBondContact O-N 3.15Å; R293-W660 HydrophobicContact CG-CH2 3.97Å; R293-W660 HydrophobicContact CG-CZ3 4.43Å
294I98.9Very high98.6Very high1 Ų117.5 Ų17.51%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-66.9128.8169.3-62.1-172.9000109.4L151 V153 C256 F262 G264L151-I294 HydrophobicContact CB-CG1 4.42Å; L151-I294 HydrophobicContact CD2-CG1 4.21Å; L151-I294 CarbonylContact O-C 3.48Å; L151-I294 VanDerWaalsContact O-CA 3.27Å; L151-I294 WeakPolarHBondContact O-CA 3.48Å; V153-I294 HydrophobicContact CG2-CG2 3.32Å; C256-I294 WeakPolarHBondContact O-CD1 3.28Å; F262-I294 HydrophobicContact CE1-CD1 3.94Å; F262-I294 HydrophobicContact CZ-CD1 3.76Å; F262-I294 HydrophobicContact CZ-CG1 4.44Å; G264-I294 PolarHBondContact O-N 2.77Å
295A98.9Very high98.6Very high0 Ų016.1 Ų16.10%09%0.088CC..PPolyproline II helixtrans-62135.4179.400000110.9I150 L151 L152 R293 W660I150-A295 HydrophobicContact CG2-CB 4.3Å; L151-A295 PolarHBondContact O-N 2.81Å; L152-A295 HydrophobicContact CD2-CB 3.88Å; R293-A295 PolarHBondContact O-N 3.15Å; A295-W660 HydrophobicContact CB-CZ2 3.81Å
296P98.9Very high98.7Very high4 Ų415.5 Ų15.53%0.0269%0.086CC..PPolyproline II helixtrans-73158.2176.931.9-33.9000111.1I298 Q454 V456 W660P296-I298 HydrophobicContact CG-CD1 4.32Å; P296-I298 HydrophobicContact CG-CG1 4.23Å; P296-Q454 VanDerWaalsContact CA-OE1 3.29Å; P296-Q454 HydrophobicContact CB-CB 3.96Å; P296-Q454 WeakPolarHBondContact CB-O 3.41Å; P296-V456 HydrophobicContact CB-CG2 4.2Å; P296-V456 HydrophobicContact CG-CG1 4.05Å; P296-V456 HydrophobicContact CG-CG2 3.83Å; P296-W660 VanDerWaalsContact CD-CE2 3.48Å; P296-W660 HydrophobicContact CG-CD2 3.86Å; P296-W660 HydrophobicContact CG-CE3 3.85Å; P296-W660 HydrophobicContact CG-CG 4.24Å; P296-W660 HydrophobicContact CG-CZ3 4.35Å
297W98.9Very high98.7Very high0 Ų016 Ų160%09%0.091CC..PPolyproline II helixtrans-77.7134.1164.6-179.886000110.4F257 M299 E354 V367 L369 L411 F450 L451 Q454F257-W297 HydrophobicContact CD1-CB 4.16Å; F257-W297 HydrophobicContact CE1-CB 3.92Å; W297-M299 HydrophobicContact CE3-CG 4.1Å; W297-M299 HydrophobicContact CH2-CB 4.47Å; W297-M299 HydrophobicContact CH2-CG 3.11Å; W297-M299 HydrophobicContact CH2-SD 3.71Å; W297-M299 HydrophobicContact CZ2-CG 3.96Å; W297-M299 HydrophobicContact CZ3-CG 3.18Å; W297-M299 HydrophobicContact CZ3-SD 3.76Å; W297-E354 HydrophobicContact CH2-CB 4.22Å; W297-E354 HydrophobicContact CH2-CG 3.73Å; W297-E354 HydrophobicContact CZ2-CB 4.27Å; W297-E354 HydrophobicContact CZ2-CG 4.01Å; W297-V367 PolarHBondContact NE1-O 2.86Å; W297-L369 HydrophobicContact CH2-CB 4Å; W297-L369 HydrophobicContact CH2-CD2 3.74Å; W297-L369 HydrophobicContact CZ2-CB 3.5Å; W297-L369 HydrophobicContact CZ2-CD2 4.13Å; W297-L369 HydrophobicContact CZ2-CG 4.47Å; W297-L369 HydrophobicContact CZ3-CD2 4.02Å; W297-L411 HydrophobicContact CH2-CD2 4.49Å; W297-F450 HydrophobicContact CB-CZ 4.05Å; W297-F450 HydrophobicContact CD2-CE1 4.49Å; W297-F450 HydrophobicContact CE3-CE1 4.25Å; W297-F450 HydrophobicContact CG-CZ 4.43Å; W297-L451 HydrophobicContact CE3-CD2 4.27Å; W297-L451 HydrophobicContact CZ3-CD2 3.68Å; W297-Q454 HydrophobicContact CB-CG 4.45Å
298I98.9Very high98.7Very high0 Ų014.2 Ų14.20%08%0.08CC..EExtended strand (participates in β ladder)trans-129.9127.1-172.4-52.7174.8000110.4P296 G356 Y357 L426 V456 Q457 F656 W660P296-I298 HydrophobicContact CG-CD1 4.32Å; P296-I298 HydrophobicContact CG-CG1 4.23Å; I298-G356 CarbonylContact O-C 3.52Å; I298-G356 WeakPolarHBondContact O-CA 3.44Å; I298-Y357 HydrophobicContact CB-CD1 4.04Å; I298-Y357 HydrophobicContact CB-CE1 3.66Å; I298-Y357 HydrophobicContact CB-CE2 4.42Å; I298-Y357 HydrophobicContact CD1-CE2 4.05Å; I298-Y357 HydrophobicContact CG2-CD1 4.31Å; I298-Y357 HydrophobicContact CG2-CE1 3.5Å; I298-Y357 VanDerWaalsContact CG2-CE1 3.5Å; I298-Y357 PolarHBondContact N-O 3.04Å; I298-Y357 VanDerWaalsContact O-CD1 3.31Å; I298-Y357 WeakPolarHBondContact O-CD1 3.27Å; I298-Y357 PolarHBondContact O-N 2.96Å; I298-L426 HydrophobicContact CD1-CD1 4.18Å; I298-L426 HydrophobicContact CG2-CD1 4.36Å; I298-V456 HydrophobicContact CD1-CG2 4.29Å; I298-V456 HydrophobicContact CG1-CG2 3.96Å; I298-Q457 HydrophobicContact CG2-CG 4.43Å; I298-F656 HydrophobicContact CG2-CD2 4.44Å; I298-W660 HydrophobicContact CD1-CB 3.61Å; I298-W660 HydrophobicContact CD1-CG 3.87Å
299M98.9Very high98.6Very high0 Ų013.4 Ų13.40%08%0.076CC..EExtended strand (participates in β ladder)trans-80.8160.1176-68.5-174.160.300113.3W297 E354 L411 V413 I429 Q457W297-M299 HydrophobicContact CE3-CG 4.1Å; W297-M299 HydrophobicContact CH2-CB 4.47Å; W297-M299 HydrophobicContact CH2-CG 3.11Å; W297-M299 HydrophobicContact CH2-SD 3.71Å; W297-M299 HydrophobicContact CZ2-CG 3.96Å; W297-M299 HydrophobicContact CZ3-CG 3.18Å; W297-M299 HydrophobicContact CZ3-SD 3.76Å; M299-E354 VanDerWaalsContact CE-CD 3.42Å; M299-E354 HydrophobicContact CE-CG 3.49Å; M299-E354 VanDerWaalsContact CE-CG 3.49Å; M299-E354 WeakPolarHBondContact CE-OE1 3.48Å; M299-E354 HydrophobicContact CG-CG 4.34Å; M299-E354 HydrophobicContact SD-CG 4.16Å; M299-L411 HydrophobicContact CE-CD1 4.36Å; M299-L411 HydrophobicContact CE-CG 3.93Å; M299-L411 HydrophobicContact SD-CD1 3.74Å; M299-L411 HydrophobicContact SD-CD2 4.18Å; M299-L411 HydrophobicContact SD-CG 3.78Å; M299-V413 HydrophobicContact CB-CB 3.96Å; M299-V413 HydrophobicContact CB-CG1 3.66Å; M299-V413 HydrophobicContact CB-CG2 4.34Å; M299-V413 HydrophobicContact CE-CB 4.16Å; M299-V413 HydrophobicContact CE-CG1 4.12Å; M299-V413 HydrophobicContact SD-CB 4.43Å; M299-I429 HydrophobicContact CG-CG1 4.48Å; M299-I429 HydrophobicContact SD-CD1 4.13Å; M299-I429 HydrophobicContact SD-CG1 3.81Å; M299-Q457 PolarHBondContact O-NE2 2.87Å
300T98.8Very high98.4Very high12 Ų1212.3 Ų12.37%0.0747%0.069CC..  trans-115.8116.517956.20000113.2L304 Y357 R653T300-L304 HydrophobicContact CG2-CD1 3.88Å; T300-Y357 HydrophobicContact CG2-CD1 4.02Å; T300-Y357 HydrophobicContact CG2-CE1 4.22Å; T300-R653 HydrophobicContact CG2-CB 4.33Å
301P98.8Very high98.1Very high2 Ų212.3 Ų12.31%0.0137%0.069CC..  trans-72.3162.317828.8-35.7000112.7I303 L304 V413 S414 R653 F656P301-I303 HydrophobicContact CB-CG1 4.17Å; P301-I303 HydrophobicContact CG-CG1 3.8Å; P301-I303 PolarHBondContact O-N 2.9Å; P301-L304 HydrophobicContact CG-CD1 4.38Å; P301-L304 HydrophobicContact CG-CG 4.15Å; P301-L304 PolarHBondContact O-N 3.09Å; P301-V413 HydrophobicContact CB-CG1 3.93Å; P301-V413 WeakPolarHBondContact CB-O 3.28Å; P301-S414 WeakPolarHBondContact CB-O 3.26Å; P301-R653 WeakPolarHBondContact O-CD 3.34Å; P301-F656 HydrophobicContact CG-CE1 4.07Å; P301-F656 HydrophobicContact CG-CE2 4.41Å; P301-F656 HydrophobicContact CG-CZ 3.52Å
302N98.7Very high97.5Very high16 Ų1611 Ų119%0.0866%0.062CC..THydrogen-bonded Turntrans-58.6-15.9-178.9-77.1-22.9000116L304 F478 V593 R653N302-L304 VanDerWaalsContact C-N 3.33Å; N302-F478 VanDerWaalsContact CB-O 3.28Å; N302-F478 WeakPolarHBondContact CB-O 3.46Å; N302-V593 HydrophobicContact CB-CB 4Å; N302-V593 HydrophobicContact CB-CG1 4.21Å; N302-V593 HydrophobicContact CB-CG2 4.23Å; N302-R653 PolarHBondContact O-NH1 3.47Å; N302-R653 PolarHBondContact OD1-NE 2.87Å; N302-R653 PolarHBondContact OD1-NH2 2.83Å
303I98.4Very high96.6Very high43 Ų4311.8 Ų11.822%0.2217%0.068CC..THydrogen-bonded Turntrans-78.6-14.4174.963.6141.6000113.9P301 P415 P480 F487P301-I303 HydrophobicContact CB-CG1 4.17Å; P301-I303 HydrophobicContact CG-CG1 3.8Å; P301-I303 PolarHBondContact O-N 2.9Å; I303-P415 HydrophobicContact CB-CG 4.5Å; I303-P415 HydrophobicContact CD1-CB 3.83Å; I303-P415 HydrophobicContact CG1-CB 3.92Å; I303-P415 HydrophobicContact CG1-CG 4.11Å; I303-P415 HydrophobicContact CG2-CB 4.08Å; I303-P415 HydrophobicContact CG2-CG 3.6Å; I303-P480 HydrophobicContact CG2-CB 4.32Å; I303-F487 HydrophobicContact CG2-CB 3.79Å
304L98.7Very high95.7Very high17 Ų1711.7 Ų11.79%0.0897%0.068CC..SBendtrans-78.9144.3-179.6-70.1-176.4000110.4T300 P301 N302 R653 K654 F656T300-L304 HydrophobicContact CG2-CD1 3.88Å; P301-L304 HydrophobicContact CG-CD1 4.38Å; P301-L304 HydrophobicContact CG-CG 4.15Å; P301-L304 PolarHBondContact O-N 3.09Å; N302-L304 VanDerWaalsContact C-N 3.33Å; L304-R653 HydrophobicContact CB-CB 3.95Å; L304-R653 WeakPolarHBondContact O-CD 3.47Å; L304-R653 PolarHBondContact O-NH1 3.45Å; L304-K654 VanDerWaalsContact CD1-O 3.25Å; L304-K654 WeakPolarHBondContact CD1-O 3.15Å; L304-F656 HydrophobicContact CD1-CD1 3.98Å; L304-F656 HydrophobicContact CD1-CD2 3.91Å; L304-F656 HydrophobicContact CD1-CE1 3.94Å; L304-F656 HydrophobicContact CD1-CE2 3.9Å; L304-F656 HydrophobicContact CD1-CG 3.98Å; L304-F656 HydrophobicContact CD1-CZ 3.94Å; L304-F656 HydrophobicContact CD2-CD1 3.85Å; L304-F656 HydrophobicContact CD2-CE1 3.97Å; L304-F656 HydrophobicContact CD2-CG 4.47Å; L304-F656 HydrophobicContact CG-CD1 4.39Å; L304-F656 HydrophobicContact CG-CE1 4.19Å; L304-F656 HydrophobicContact CG-CZ 4.48Å
305P98.4Very high94.6Very high52 Ų5220.1 Ų20.134%0.33811%0.105SC..PPolyproline II helixtrans-56124.9-177-26.934.7000111.5R653 K654P305-R653 WeakPolarHBondContact O-CA 3.23Å; P305-R653 WeakPolarHBondContact O-CB 3.44Å; P305-K654 HydrophobicContact CB-CD 4.11Å; P305-K654 HydrophobicContact CB-CG 4.29Å; P305-K654 HydrophobicContact CG-CD 4.48Å; P305-K654 PolarHBondContact O-N 2.86Å
306P98.4Very high93.5Very high14 Ų1424 Ų249%0.09113%0.125CC..EExtended strand (participates in β ladder)trans-67.7149.3177.332.6-38.5000110.8C333 L594 D595 V651P306-C333 VanDerWaalsContact CB-SG 3.51Å; P306-C333 WeakPolarHBondContact CG-SG 3.44Å; P306-L594 HydrophobicContact CB-CD2 3.63Å; P306-L594 HydrophobicContact CG-CB 4.08Å; P306-L594 HydrophobicContact CG-CD2 4.03Å; P306-D595 WeakPolarHBondContact CD-OD1 3.44Å; P306-D595 WeakPolarHBondContact CD-OD2 3.3Å; P306-V651 HydrophobicContact CB-CG1 3.77Å
307V98.1Very high92.7Very high38 Ų3823.9 Ų23.923%0.2313%0.125CC..EExtended strand (participates in β ladder)trans-123.3-47.1177.6-168.50000111C333 D334 R652 K654V307-C333 WeakPolarHBondContact O-CA 3.41Å; V307-D334 PolarHBondContact O-N 2.68Å; V307-R652 PolarHBondContact N-O 3.03Å; V307-K654 HydrophobicContact CG2-CB 4.48Å; V307-K654 HydrophobicContact CG2-CG 3.54Å
308S97.3Very high91.9Very high0 Ų032.3 Ų32.30%016%0.158CC..EExtended strand (participates in β ladder)trans-143.9134.3-178.6-49.30000110.5D334 R652S308-D334 CarbonylContact C-O 3.53Å; S308-D334 VanDerWaalsContact CA-O 3.28Å; S308-D334 WeakPolarHBondContact CA-O 3.35Å; S308-R652 PolarHBondContact N-O 2.86Å; S308-R652 PolarHBondContact O-N 3.46Å; S308-R652 PolarHBondContact OG-NH2 2.83Å
309V97.1Very high91.2Very high0 Ų036.9 Ų36.90%018%0.182CC..EExtended strand (participates in β ladder)trans-103.6121.8176.6-177.90000108.5V328 C333 D334 L335 K336 L594 V651V309-V328 HydrophobicContact CB-CG2 4Å; V309-V328 HydrophobicContact CG1-CG2 4.3Å; V309-V328 HydrophobicContact CG2-CG2 3.8Å; V309-C333 HydrophobicContact CG2-CB 4.34Å; V309-D334 PolarHBondContact N-O 2.83Å; V309-L335 HydrophobicContact CB-CD1 4.3Å; V309-L335 HydrophobicContact CG1-CD1 4.3Å; V309-K336 PolarHBondContact O-N 2.61Å; V309-L594 HydrophobicContact CG2-CD1 4.11Å; V309-L594 HydrophobicContact CG2-CD2 3.73Å; V309-V651 HydrophobicContact CG2-CG2 4.31Å
310F94.8Very high90.7Very high7 Ų737 Ų373%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-99.6136.3177.1-69.9-101.9000110.1K336 I349 F355 F380 L385 T649 N650 R652F310-K336 CarbonylContact C-O 3.58Å; F310-K336 VanDerWaalsContact CA-O 3.31Å; F310-K336 WeakPolarHBondContact CA-O 3.28Å; F310-K336 HydrophobicContact CD1-CB 3.74Å; F310-K336 HydrophobicContact CD1-CD 4.16Å; F310-K336 HydrophobicContact CE1-CB 3.9Å; F310-K336 HydrophobicContact CE1-CD 3.43Å; F310-K336 VanDerWaalsContact CE1-CD 3.43Å; F310-K336 HydrophobicContact CE1-CG 4.29Å; F310-K336 HydrophobicContact CE2-CD 4.13Å; F310-K336 HydrophobicContact CG-CB 4.19Å; F310-K336 HydrophobicContact CZ-CB 4.47Å; F310-K336 HydrophobicContact CZ-CD 3.44Å; F310-K336 VanDerWaalsContact CZ-CD 3.44Å; F310-K336 HydrophobicContact CZ-CG 4.49Å; F310-I349 HydrophobicContact CB-CD1 3.82Å; F310-F355 HydrophobicContact CD1-CZ 4.3Å; F310-F355 AromaticContact CD2-CE2 3.5Å; F310-F355 HydrophobicContact CD2-CE2 3.5Å; F310-F355 VanDerWaalsContact CD2-CE2 3.5Å; F310-F355 AromaticContact CD2-CZ 3.51Å; F310-F355 HydrophobicContact CD2-CZ 3.51Å; F310-F355 HydrophobicContact CE1-CZ 4.21Å; F310-F355 HydrophobicContact CE2-CE1 4.17Å; F310-F355 AromaticContact CE2-CE2 3.74Å; F310-F355 HydrophobicContact CE2-CE2 3.74Å; F310-F355 AromaticContact CE2-CZ 3.4Å; F310-F355 HydrophobicContact CE2-CZ 3.4Å; F310-F355 HydrophobicContact CG-CE2 4.11Å; F310-F355 AromaticContact CG-CZ 3.95Å; F310-F355 HydrophobicContact CG-CZ 3.95Å; F310-F355 HydrophobicContact CZ-CE1 4.3Å; F310-F355 AromaticContact CZ-CZ 3.75Å; F310-F355 HydrophobicContact CZ-CZ 3.75Å; F310-F380 HydrophobicContact CD1-CZ 4.38Å; F310-L385 HydrophobicContact CD1-CD2 4.42Å; F310-L385 HydrophobicContact CE1-CD2 3.53Å; F310-L385 HydrophobicContact CZ-CD2 3.96Å; F310-T649 CarbonylContact O-C 3.55Å; F310-T649 WeakPolarHBondContact O-CA 3.04Å; F310-T649 WeakPolarHBondContact O-CB 3.24Å; F310-N650 WeakPolarHBondContact CB-O 3.14Å; F310-N650 PolarHBondContact N-O 2.95Å; F310-N650 PolarHBondContact O-N 2.87Å; F310-R652 HydrophobicContact CE2-CB 4.17Å
311V92.3Very high90.3Very high1 Ų138 Ų381%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-146.1142.9179.763.50000111.1F320 L321 L335 K336 V337 C338 T649V311-F320 HydrophobicContact CG2-CD1 4.34Å; V311-F320 HydrophobicContact CG2-CE1 3.54Å; V311-F320 HydrophobicContact CG2-CZ 4.42Å; V311-L321 HydrophobicContact CB-CD2 4.44Å; V311-L321 HydrophobicContact CG1-CD2 3.81Å; V311-L321 HydrophobicContact CG2-CD2 3.7Å; V311-L335 HydrophobicContact CG1-CD1 3.8Å; V311-K336 PolarHBondContact N-O 3.05Å; V311-V337 HydrophobicContact CG1-CB 4.39Å; V311-V337 HydrophobicContact CG1-CG1 4.42Å; V311-V337 HydrophobicContact CG1-CG2 3.86Å; V311-V337 CarbonylContact O-C 3.51Å; V311-V337 WeakPolarHBondContact O-CA 3.12Å; V311-C338 PolarHBondContact O-N 2.8Å; V311-T649 HydrophobicContact CB-CG2 4.11Å; V311-T649 HydrophobicContact CG2-CG2 3.96Å
312C85.7Confident89.9Confident0 Ų043.2 Ų43.20%021%0.209CC..EExtended strand (participates in β ladder)trans-88130.6173.6-74.50000111.8N317 C338 Y638C312-N317 PolarHBondContact O-ND2 2.69Å; C312-C338 WeakPolarHBondContact CA-O 3.43Å; C312-Y638 PolarHBondContact O-OH 3.03Å
313C80.3Confident89.6Confident20 Ų2045 Ų4514%0.13522%0.217CC..  trans-84.2143.5170.597.40000111.3L321 V337 C338 F339 Q340 N343C313-L321 HydrophobicContact CB-CD1 3.77Å; C313-V337 HydrophobicContact CB-CG1 3.65Å; C313-C338 PolarHBondContact N-O 3.18Å; C313-F339 HydrophobicContact CB-CD1 4.41Å; C313-F339 VanDerWaalsContact SG-CA 3.5Å; C313-Q340 PolarHBondContact SG-N 3.3Å; C313-N343 PolarHBondContact O-ND2 3.4Å
314M79.6Confident89.4Confident18 Ų1843 Ų439%0.08921%0.207CC..  trans-139.9163.3177.9-68-63.1177.500110.8D316 N317 N343 G345 D346 R347M314-D316 PolarHBondContact O-N 2.89Å; M314-D316 VanDerWaalsContact O-N 3.14Å; M314-N317 WeakPolarHBondContact CA-OD1 3.45Å; M314-N317 HydrophobicContact CB-CB 4.35Å; M314-N317 PolarHBondContact N-OD1 3.45Å; M314-N317 PolarHBondContact O-OD1 2.82Å; M314-N343 HydrophobicContact CE-CB 4.45Å; M314-N343 WeakPolarHBondContact CE-ND2 3.42Å; M314-G345 WeakPolarHBondContact CE-O 3.49Å; M314-D346 WeakPolarHBondContact CE-O 3.42Å; M314-R347 HydrophobicContact CE-CB 4.03Å; M314-R347 HydrophobicContact CE-CG 3.45Å; M314-R347 VanDerWaalsContact CE-CG 3.45Å; M314-R347 HydrophobicContact CG-CG 3.84Å; M314-R347 HydrophobicContact SD-CG 4.17Å
315K75.8Confident89.2Confident179 Ų17947.3 Ų47.378%0.77823%0.225SC*.THydrogen-bonded Turntrans-62.2-23.7-177.8-67.8-175.9175.8177.60113.3Q340K315-Q340 VanDerWaalsContact CG-OE1 3.25Å
316D77.4Confident89.1Confident80 Ų8048.3 Ų48.343%0.42823%0.228SC..THydrogen-bonded Turntrans-121.510.3-168.660.5-34000113.8M314 R347M314-D316 PolarHBondContact O-N 2.89Å; M314-D316 VanDerWaalsContact O-N 3.14Å; D316-R347 VanDerWaalsContact CG-NH2 3.25Å; D316-R347 IonicContact OD1-CZ 2.83Å; D316-R347 VanDerWaalsContact OD1-CZ 3.25Å; D316-R347 IonicContact OD1-NH1 3.54Å; D316-R347 PolarHBondContact OD1-NH1 3.2Å; D316-R347 VanDerWaalsContact OD1-NH1 3.12Å; D316-R347 IonicContact OD1-NH2 2.76Å; D316-R347 PolarHBondContact OD1-NH2 2.77Å; D316-R347 IonicContact OD2-CZ 3.74Å; D316-R347 IonicContact OD2-NH1 3.77Å; D316-R347 PolarHBondContact OD2-NH1 3.04Å; D316-R347 IonicContact OD2-NH2 3.57Å; D316-R347 PolarHBondContact OD2-NH2 2.94Å
317N82.3Confident89Confident3 Ų347.7 Ų47.72%0.01622%0.223CC..  trans-112.228178.777.5-18.6000115.2C312 M314 L319 F320 L321 A637 Y638C312-N317 PolarHBondContact O-ND2 2.69Å; M314-N317 WeakPolarHBondContact CA-OD1 3.45Å; M314-N317 HydrophobicContact CB-CB 4.35Å; M314-N317 PolarHBondContact N-OD1 3.45Å; M314-N317 PolarHBondContact O-OD1 2.82Å; N317-L319 PolarHBondContact O-N 2.9Å; N317-F320 HydrophobicContact CB-CB 4.09Å; N317-F320 HydrophobicContact CB-CD1 4.39Å; N317-F320 WeakPolarHBondContact O-CB 3.34Å; N317-F320 PolarHBondContact O-N 2.84Å; N317-L321 WeakPolarHBondContact O-CG 3.48Å; N317-L321 PolarHBondContact O-N 2.76Å; N317-L321 WeakPolarHBondContact OD1-CD1 3.29Å; N317-A637 HydrophobicContact CB-CB 3.51Å; N317-Y638 HydrophobicContact CB-CE2 4.21Å; N317-Y638 PolarHBondContact ND2-OH 3.38Å
318Y82.4Confident88.9Confident177 Ų17746.3 Ų46.369%0.69422%0.215SC*.Hα-helixtrans-58.6-43.2-177.3-178.5-92.9000113.7L321 K322Y318-L321 PolarHBondContact O-N 2.83Å; Y318-K322 WeakPolarHBondContact O-CB 3.4Å; Y318-K322 PolarHBondContact O-N 3.34Å
319L84.1Confident88.9Confident96 Ų9652.2 Ų52.250%0.50324%0.243SC..Hα-helixtrans-63.5-47.9178.1-72.8173.8000111.3N317 L321 K322 E323N317-L319 PolarHBondContact O-N 2.9Å; L319-L321 PolarHBondContact O-N 2.83Å; L319-K322 WeakPolarHBondContact O-CB 3.46Å; L319-K322 PolarHBondContact O-N 2.83Å; L319-K322 VanDerWaalsContact O-N 3.11Å; L319-E323 WeakPolarHBondContact O-CG 3.42Å; L319-E323 PolarHBondContact O-N 3.1Å
320F87.9Confident88.9Confident2 Ų257.1 Ų57.11%0.00926%0.264CS..Hα-helixtrans-52.9-51.4174.1175-97.7000112.4V311 N317 K322 E323 V324 I632 D634 Y638 V645 T649V311-F320 HydrophobicContact CG2-CD1 4.34Å; V311-F320 HydrophobicContact CG2-CE1 3.54Å; V311-F320 HydrophobicContact CG2-CZ 4.42Å; N317-F320 HydrophobicContact CB-CB 4.09Å; N317-F320 HydrophobicContact CB-CD1 4.39Å; N317-F320 WeakPolarHBondContact O-CB 3.34Å; N317-F320 PolarHBondContact O-N 2.84Å; F320-K322 VanDerWaalsContact C-N 3.28Å; F320-K322 PolarHBondContact O-N 2.81Å; F320-E323 PolarHBondContact O-N 2.91Å; F320-V324 HydrophobicContact CD1-CG2 4.25Å; F320-V324 HydrophobicContact CD2-CG2 4.32Å; F320-V324 HydrophobicContact CE1-CG2 3.96Å; F320-V324 HydrophobicContact CE2-CG2 4.01Å; F320-V324 HydrophobicContact CG-CG2 4.43Å; F320-V324 HydrophobicContact CZ-CG2 3.83Å; F320-V324 WeakPolarHBondContact O-CB 3.45Å; F320-V324 WeakPolarHBondContact O-CG2 3.16Å; F320-V324 PolarHBondContact O-N 3Å; F320-I632 HydrophobicContact CD2-CG2 3.57Å; F320-I632 HydrophobicContact CE2-CG2 3.96Å; F320-I632 HydrophobicContact CG-CG2 4.48Å; F320-D634 HydrophobicContact CD2-CB 3.82Å; F320-D634 HydrophobicContact CE2-CB 4.05Å; F320-Y638 HydrophobicContact CB-CE2 4.44Å; F320-Y638 AromaticContact CD1-CE2 3.5Å; F320-Y638 HydrophobicContact CD1-CE2 3.5Å; F320-Y638 AromaticContact CD1-CZ 3.99Å; F320-Y638 HydrophobicContact CD2-CD2 4.16Å; F320-Y638 AromaticContact CD2-CE2 3.88Å; F320-Y638 HydrophobicContact CD2-CE2 3.88Å; F320-Y638 AromaticContact CE1-CE2 3.49Å; F320-Y638 HydrophobicContact CE1-CE2 3.49Å; F320-Y638 VanDerWaalsContact CE1-CE2 3.49Å; F320-Y638 AromaticContact CE1-CZ 3.6Å; F320-Y638 VanDerWaalsContact CE1-OH 3.28Å; F320-Y638 WeakPolarHBondContact CE1-OH 3.37Å; F320-Y638 HydrophobicContact CE2-CD2 4.16Å; F320-Y638 AromaticContact CE2-CE2 3.89Å; F320-Y638 HydrophobicContact CE2-CE2 3.89Å; F320-Y638 HydrophobicContact CG-CD2 4.34Å; F320-Y638 AromaticContact CG-CE2 3.68Å; F320-Y638 HydrophobicContact CG-CE2 3.68Å; F320-Y638 HydrophobicContact CZ-CD2 4.34Å; F320-Y638 AromaticContact CZ-CE2 3.7Å; F320-Y638 HydrophobicContact CZ-CE2 3.7Å; F320-Y638 AromaticContact CZ-CZ 3.91Å; F320-V645 HydrophobicContact CE2-CB 4.19Å; F320-V645 HydrophobicContact CE2-CG1 3.9Å; F320-V645 HydrophobicContact CE2-CG2 4.09Å; F320-V645 HydrophobicContact CZ-CG1 4.31Å; F320-T649 HydrophobicContact CE1-CG2 4.42Å; F320-T649 HydrophobicContact CZ-CG2 3.96Å
321L89.3Confident89Confident34 Ų3458.1 Ų58.118%0.17827%0.271CS..Hα-helixtrans-60.9-37.4178.6-71.3172.3000112.4V311 C313 N317 Y318 L319 K325V311-L321 HydrophobicContact CB-CD2 4.44Å; V311-L321 HydrophobicContact CG1-CD2 3.81Å; V311-L321 HydrophobicContact CG2-CD2 3.7Å; C313-L321 HydrophobicContact CB-CD1 3.77Å; N317-L321 WeakPolarHBondContact O-CG 3.48Å; N317-L321 PolarHBondContact O-N 2.76Å; N317-L321 WeakPolarHBondContact OD1-CD1 3.29Å; Y318-L321 PolarHBondContact O-N 2.83Å; L319-L321 PolarHBondContact O-N 2.83Å; L321-K325 WeakPolarHBondContact O-CB 3.44Å; L321-K325 PolarHBondContact O-N 3.28Å
322K91.6Very high89.1Confident110 Ų11066.4 Ų66.448%0.47832%0.315SS..Hα-helixtrans-66.1-43.2176.8-177.5-176.4175.5-173.30111.3Y318 L319 F320 K325 N326Y318-K322 WeakPolarHBondContact O-CB 3.4Å; Y318-K322 PolarHBondContact O-N 3.34Å; L319-K322 WeakPolarHBondContact O-CB 3.46Å; L319-K322 PolarHBondContact O-N 2.83Å; L319-K322 VanDerWaalsContact O-N 3.11Å; F320-K322 VanDerWaalsContact C-N 3.28Å; F320-K322 PolarHBondContact O-N 2.81Å; K322-K325 WeakPolarHBondContact O-CB 3.28Å; K322-K325 PolarHBondContact O-N 3.5Å; K322-N326 PolarHBondContact O-N 2.95Å; K322-N326 PolarHBondContact O-OD1 3.15Å
323E92.3Very high89.6Confident54 Ų5467.1 Ų67.125%0.25232%0.32SS..Hα-helixtrans-72.7-39.8-179.1-71.8171.8171.200112.2L319 F320 K325 N326 L327 I632 D633L319-E323 WeakPolarHBondContact O-CG 3.42Å; L319-E323 PolarHBondContact O-N 3.1Å; F320-E323 PolarHBondContact O-N 2.91Å; E323-K325 VanDerWaalsContact C-N 3.31Å; E323-K325 PolarHBondContact O-N 2.9Å; E323-N326 PolarHBondContact O-N 3.33Å; E323-L327 PolarHBondContact O-N 3.17Å; E323-I632 HydrophobicContact CB-CG1 4.26Å; E323-I632 HydrophobicContact CB-CG2 4Å; E323-I632 WeakPolarHBondContact OE2-CA 3.23Å; E323-D633 PolarHBondContact OE2-N 2.81Å
324V93.5Very high90.4Very high0 Ų070.7 Ų70.70%034%0.338CS..Hα-helixtrans-59.9-43.3169.4171.90000110.3F320 L327 V328 L335 I592 I632F320-V324 HydrophobicContact CD1-CG2 4.25Å; F320-V324 HydrophobicContact CD2-CG2 4.32Å; F320-V324 HydrophobicContact CE1-CG2 3.96Å; F320-V324 HydrophobicContact CE2-CG2 4.01Å; F320-V324 HydrophobicContact CG-CG2 4.43Å; F320-V324 HydrophobicContact CZ-CG2 3.83Å; F320-V324 WeakPolarHBondContact O-CB 3.45Å; F320-V324 WeakPolarHBondContact O-CG2 3.16Å; F320-V324 PolarHBondContact O-N 3Å; V324-L327 WeakPolarHBondContact O-CB 3.47Å; V324-L327 PolarHBondContact O-N 3.36Å; V324-V328 HydrophobicContact CG1-CG2 4.46Å; V324-V328 WeakPolarHBondContact O-CG2 3.48Å; V324-V328 PolarHBondContact O-N 2.99Å; V324-L335 HydrophobicContact CG1-CD1 4Å; V324-I592 HydrophobicContact CG2-CD1 4.3Å; V324-I632 HydrophobicContact CG2-CD1 4.01Å; V324-I632 HydrophobicContact CG2-CG2 4.38Å
325K94.9Very high91.1Very high108 Ų10872.5 Ų72.547%0.4735%0.348SS..Hα-helixtrans-59.8-47.5174.8-179.9179171-177.40111.8L321 K322 E323 L327 V328 E329 L335L321-K325 WeakPolarHBondContact O-CB 3.44Å; L321-K325 PolarHBondContact O-N 3.28Å; K322-K325 WeakPolarHBondContact O-CB 3.28Å; K322-K325 PolarHBondContact O-N 3.5Å; E323-K325 VanDerWaalsContact C-N 3.31Å; E323-K325 PolarHBondContact O-N 2.9Å; K325-L327 VanDerWaalsContact C-N 3.28Å; K325-L327 PolarHBondContact O-N 2.98Å; K325-V328 PolarHBondContact O-N 3.02Å; K325-E329 WeakPolarHBondContact CE-OE1 3.36Å; K325-E329 HydrophobicContact CG-CG 4.41Å; K325-E329 IonicContact NZ-OE1 2.97Å; K325-E329 WeakPolarHBondContact O-CB 3.41Å; K325-E329 WeakPolarHBondContact O-CG 3.36Å; K325-E329 PolarHBondContact O-N 3.38Å; K325-L335 HydrophobicContact CB-CD2 3.89Å; K325-L335 HydrophobicContact CG-CD2 4.18Å
326N95.8Very high91.9Very high73 Ų7368.3 Ų68.339%0.3933%0.329SS..Hα-helixtrans-60.9-37.2177.1-69-9.3000112.2K322 E323K322-N326 PolarHBondContact O-N 2.95Å; K322-N326 PolarHBondContact O-OD1 3.15Å; E323-N326 PolarHBondContact O-N 3.33Å
327L96.6Very high92.5Very high1 Ų166.9 Ų66.91%0.00532%0.323CS..Hα-helixtrans-63.1-49.7174.217670.3000110.5E323 V324 K325 E329 K330 I592 L594 D597 I632E323-L327 PolarHBondContact O-N 3.17Å; V324-L327 WeakPolarHBondContact O-CB 3.47Å; V324-L327 PolarHBondContact O-N 3.36Å; K325-L327 VanDerWaalsContact C-N 3.28Å; K325-L327 PolarHBondContact O-N 2.98Å; L327-E329 VanDerWaalsContact C-N 3.31Å; L327-E329 PolarHBondContact O-N 3.18Å; L327-K330 WeakPolarHBondContact O-CB 3.44Å; L327-K330 PolarHBondContact O-N 3.02Å; L327-K330 VanDerWaalsContact O-N 3.14Å; L327-I592 HydrophobicContact CD2-CB 4.22Å; L327-I592 HydrophobicContact CD2-CD1 4.28Å; L327-I592 HydrophobicContact CD2-CG2 4.37Å; L327-L594 HydrophobicContact CD2-CD1 4.2Å; L327-L594 HydrophobicContact CG-CD1 4.11Å; L327-D597 HydrophobicContact CD1-CB 4.06Å; L327-I632 HydrophobicContact CD2-CD1 4.11Å
328V97.1Very high92.6Very high9 Ų967 Ų676%0.05532%0.324CS..Hα-helixtrans-64.5-35.3-178.9173.80000111.9V309 V324 K325 K330 T331 C333 L335 L594V309-V328 HydrophobicContact CB-CG2 4Å; V309-V328 HydrophobicContact CG1-CG2 4.3Å; V309-V328 HydrophobicContact CG2-CG2 3.8Å; V324-V328 HydrophobicContact CG1-CG2 4.46Å; V324-V328 WeakPolarHBondContact O-CG2 3.48Å; V324-V328 PolarHBondContact O-N 2.99Å; K325-V328 PolarHBondContact O-N 3.02Å; V328-K330 PolarHBondContact O-N 3.11Å; V328-K330 VanDerWaalsContact O-N 3.15Å; V328-T331 CarbonylContact O-C 3.13Å; V328-T331 WeakPolarHBondContact O-CA 3.47Å; V328-T331 WeakPolarHBondContact O-CB 3.34Å; V328-T331 PolarHBondContact O-N 3.34Å; V328-T331 PolarHBondContact O-OG1 2.86Å; V328-C333 HydrophobicContact CG1-CB 4.15Å; V328-C333 VanDerWaalsContact CG1-O 3.26Å; V328-C333 WeakPolarHBondContact CG1-O 3.43Å; V328-L335 HydrophobicContact CG1-CB 4.12Å; V328-L335 HydrophobicContact CG2-CD1 4.28Å; V328-L594 HydrophobicContact CG2-CD1 4.13Å
329E96.9Very high92.6Very high124 Ų12463.5 Ų63.558%0.57931%0.313SS*.THydrogen-bonded Turntrans-61.3-18.3175.2-77.8176.9172.300114K325 L327 T331K325-E329 WeakPolarHBondContact CE-OE1 3.36Å; K325-E329 HydrophobicContact CG-CG 4.41Å; K325-E329 IonicContact NZ-OE1 2.97Å; K325-E329 WeakPolarHBondContact O-CB 3.41Å; K325-E329 WeakPolarHBondContact O-CG 3.36Å; K325-E329 PolarHBondContact O-N 3.38Å; L327-E329 VanDerWaalsContact C-N 3.31Å; L327-E329 PolarHBondContact O-N 3.18Å; E329-T331 PolarHBondContact O-N 3.25Å
330K96.5Very high92.3Very high103 Ų10362.2 Ų62.245%0.44830%0.304SS..THydrogen-bonded Turntrans-77.4-9.9171.4-59.9177.8179.4-176.70113.2L327 V328 D597 T630L327-K330 WeakPolarHBondContact O-CB 3.44Å; L327-K330 PolarHBondContact O-N 3.02Å; L327-K330 VanDerWaalsContact O-N 3.14Å; V328-K330 PolarHBondContact O-N 3.11Å; V328-K330 VanDerWaalsContact O-N 3.15Å; K330-D597 VanDerWaalsContact CD-OD1 3.27Å; K330-D597 WeakPolarHBondContact CD-OD1 3.19Å; K330-T630 PolarHBondContact NZ-OG1 3.28Å
331T96.1Very high91.8Very high29 Ų2970.4 Ų70.418%0.17834%0.336CS..THydrogen-bonded Turntrans-121.4174.8-171.678.10000110.6V328 E329 C333 L594 D597V328-T331 CarbonylContact O-C 3.13Å; V328-T331 WeakPolarHBondContact O-CA 3.47Å; V328-T331 WeakPolarHBondContact O-CB 3.34Å; V328-T331 PolarHBondContact O-N 3.34Å; V328-T331 PolarHBondContact O-OG1 2.86Å; E329-T331 PolarHBondContact O-N 3.25Å; T331-C333 VanDerWaalsContact C-N 3.31Å; T331-C333 WeakPolarHBondContact OG1-CB 3.28Å; T331-C333 PolarHBondContact OG1-N 3.3Å; T331-C333 PolarHBondContact OG1-SG 2.73Å; T331-L594 HydrophobicContact CG2-CB 3.94Å; T331-L594 HydrophobicContact CG2-CD1 3.93Å; T331-D597 HydrophobicContact CG2-CB 4.41Å
332N95.3Very high91.2Very high175 Ų17570 Ų7094%0.93633%0.334SS*.THydrogen-bonded Turntrans-94.318.7172.7-64.2-48.4000112.7
333C96.8Very high90.6Very high15 Ų1564.7 Ų64.710%0.10131%0.311CS..PPolyproline II helixtrans-84.4150.2-177.6-50.80000111.7P306 V307 V309 V328 T331P306-C333 VanDerWaalsContact CB-SG 3.51Å; P306-C333 WeakPolarHBondContact CG-SG 3.44Å; V307-C333 WeakPolarHBondContact O-CA 3.41Å; V309-C333 HydrophobicContact CG2-CB 4.34Å; V328-C333 HydrophobicContact CG1-CB 4.15Å; V328-C333 VanDerWaalsContact CG1-O 3.26Å; V328-C333 WeakPolarHBondContact CG1-O 3.43Å; T331-C333 VanDerWaalsContact C-N 3.31Å; T331-C333 WeakPolarHBondContact OG1-CB 3.28Å; T331-C333 PolarHBondContact OG1-N 3.3Å; T331-C333 PolarHBondContact OG1-SG 2.73Å
334D95.7Very high90Very high94 Ų9469 Ų6950%0.50333%0.325SS..EExtended strand (participates in β ladder)trans-80.4138.2168-61.9-45000110.8V307 S308 V309V307-D334 PolarHBondContact O-N 2.68Å; S308-D334 CarbonylContact C-O 3.53Å; S308-D334 VanDerWaalsContact CA-O 3.28Å; S308-D334 WeakPolarHBondContact CA-O 3.35Å; V309-D334 PolarHBondContact N-O 2.83Å
335L95.3Very high89.1Confident57 Ų5770.9 Ų70.930%0.29834%0.344SS..EExtended strand (participates in β ladder)trans-95.5119168-17864.7000110.1V309 V311 V324 K325 V328 V337V309-L335 HydrophobicContact CB-CD1 4.3Å; V309-L335 HydrophobicContact CG1-CD1 4.3Å; V311-L335 HydrophobicContact CG1-CD1 3.8Å; V324-L335 HydrophobicContact CG1-CD1 4Å; K325-L335 HydrophobicContact CB-CD2 3.89Å; K325-L335 HydrophobicContact CG-CD2 4.18Å; V328-L335 HydrophobicContact CG1-CB 4.12Å; V328-L335 HydrophobicContact CG2-CD1 4.28Å; L335-V337 HydrophobicContact CD2-CG2 4.29Å; L335-V337 HydrophobicContact CG-CG2 4.1Å
336K93.3Very high88.4Confident91 Ų9166.1 Ų66.140%0.39632%0.324SS..EExtended strand (participates in β ladder)trans-110.4118.5175.9-68.4-171174.3-1680110.3V309 F310 V311V309-K336 PolarHBondContact O-N 2.61Å; F310-K336 CarbonylContact C-O 3.58Å; F310-K336 VanDerWaalsContact CA-O 3.31Å; F310-K336 WeakPolarHBondContact CA-O 3.28Å; F310-K336 HydrophobicContact CD1-CB 3.74Å; F310-K336 HydrophobicContact CD1-CD 4.16Å; F310-K336 HydrophobicContact CE1-CB 3.9Å; F310-K336 HydrophobicContact CE1-CD 3.43Å; F310-K336 VanDerWaalsContact CE1-CD 3.43Å; F310-K336 HydrophobicContact CE1-CG 4.29Å; F310-K336 HydrophobicContact CE2-CD 4.13Å; F310-K336 HydrophobicContact CG-CB 4.19Å; F310-K336 HydrophobicContact CZ-CB 4.47Å; F310-K336 HydrophobicContact CZ-CD 3.44Å; F310-K336 VanDerWaalsContact CZ-CD 3.44Å; F310-K336 HydrophobicContact CZ-CG 4.49Å; V311-K336 PolarHBondContact N-O 3.05Å
337V88.6Confident87.7Confident49 Ų4963.4 Ų63.430%0.29731%0.308SS..EExtended strand (participates in β ladder)trans-106.5117.6-176.3-175.20000110.1V311 C313 L335 F339V311-V337 HydrophobicContact CG1-CB 4.39Å; V311-V337 HydrophobicContact CG1-CG1 4.42Å; V311-V337 HydrophobicContact CG1-CG2 3.86Å; V311-V337 CarbonylContact O-C 3.51Å; V311-V337 WeakPolarHBondContact O-CA 3.12Å; C313-V337 HydrophobicContact CB-CG1 3.65Å; L335-V337 HydrophobicContact CD2-CG2 4.29Å; L335-V337 HydrophobicContact CG-CG2 4.1Å; V337-F339 HydrophobicContact CB-CZ 4.45Å; V337-F339 HydrophobicContact CG1-CD1 4.44Å; V337-F339 HydrophobicContact CG1-CE1 4.22Å; V337-F339 HydrophobicContact CG1-CZ 4.48Å
338C85.1Confident87.1Confident5 Ų565.1 Ų65.13%0.03432%0.315CS..EExtended strand (participates in β ladder)trans-81.3113.6170.9177.50000109.8V311 C312 C313 N343 I349 F380V311-C338 PolarHBondContact O-N 2.8Å; C312-C338 WeakPolarHBondContact CA-O 3.43Å; C313-C338 PolarHBondContact N-O 3.18Å; C338-N343 PolarHBondContact O-ND2 3.37Å; C338-I349 HydrophobicContact CB-CD1 4.44Å; C338-F380 HydrophobicContact CB-CD2 4.32Å; C338-F380 HydrophobicContact CB-CE2 3.65Å; C338-F380 HydrophobicContact CB-CZ 4.17Å; C338-F380 VanDerWaalsContact SG-CD2 3.53Å; C338-F380 WeakPolarHBondContact SG-CE2 3.1Å
339F82.3Confident86.6Confident104 Ų10464.8 Ų64.846%0.45631%0.313SS..  trans-79.6163.2-175.2-67.5-75000114.1C313 V337 Y341 I342 N343C313-F339 HydrophobicContact CB-CD1 4.41Å; C313-F339 VanDerWaalsContact SG-CA 3.5Å; V337-F339 HydrophobicContact CB-CZ 4.45Å; V337-F339 HydrophobicContact CG1-CD1 4.44Å; V337-F339 HydrophobicContact CG1-CE1 4.22Å; V337-F339 HydrophobicContact CG1-CZ 4.48Å; F339-Y341 VanDerWaalsContact C-N 3.28Å; F339-Y341 HydrophobicContact CB-CD1 3.7Å; F339-Y341 HydrophobicContact CB-CE1 3.31Å; F339-Y341 HydrophobicContact CD2-CE1 4.17Å; F339-Y341 HydrophobicContact CG-CE1 4.01Å; F339-Y341 PolarHBondContact O-N 3.01Å; F339-I342 WeakPolarHBondContact O-CB 3.32Å; F339-I342 PolarHBondContact O-N 2.81Å; F339-N343 PolarHBondContact O-N 3.39Å
340Q77.9Confident86.2Confident70 Ų7059 Ų5933%0.32729%0.286SS..Hα-helixtrans-59.9-31.2-172.6-170.6171.323.500114.9C313 K315 I342 N343 R344C313-Q340 PolarHBondContact SG-N 3.3Å; K315-Q340 VanDerWaalsContact CG-OE1 3.25Å; Q340-I342 PolarHBondContact O-N 3.16Å; Q340-N343 VanDerWaalsContact CA-OD1 3.26Å; Q340-N343 WeakPolarHBondContact CA-OD1 3.44Å; Q340-N343 PolarHBondContact O-OD1 3.27Å; Q340-R344 WeakPolarHBondContact O-CA 3.48Å; Q340-R344 PolarHBondContact O-N 3.33Å
341Y76.4Confident85.8Confident174 Ų17454.8 Ų54.868%0.68227%0.268SS*.Hα-helixtrans-68.7-20.3178.264.1-91.4000112.6F339F339-Y341 VanDerWaalsContact C-N 3.28Å; F339-Y341 HydrophobicContact CB-CD1 3.7Å; F339-Y341 HydrophobicContact CB-CE1 3.31Å; F339-Y341 HydrophobicContact CD2-CE1 4.17Å; F339-Y341 HydrophobicContact CG-CE1 4.01Å; F339-Y341 PolarHBondContact O-N 3.01Å
342I77.2Confident85.6Confident24 Ų2453.5 Ų53.512%0.12326%0.26CS..Hα-helixtrans-93.4-53.5177.1-53.9169.3000109.9F339 Q340 R344 F380 E384F339-I342 WeakPolarHBondContact O-CB 3.32Å; F339-I342 PolarHBondContact O-N 2.81Å; Q340-I342 PolarHBondContact O-N 3.16Å; I342-R344 PolarHBondContact O-N 3.32Å; I342-F380 HydrophobicContact CG2-CD2 3.73Å; I342-F380 HydrophobicContact CG2-CE2 4.5Å; I342-E384 HydrophobicContact CD1-CG 4.06Å; I342-E384 WeakPolarHBondContact CD1-OE1 3.49Å; I342-E384 HydrophobicContact CG2-CG 3.81Å
343N79.3Confident85.6Confident0 Ų045.1 Ų45.10%022%0.215CC..Hα-helixtrans-73.6-14.3-175.272.422.4000114.1C313 M314 C338 F339 Q340 G345 D346 L377C313-N343 PolarHBondContact O-ND2 3.4Å; M314-N343 HydrophobicContact CE-CB 4.45Å; M314-N343 WeakPolarHBondContact CE-ND2 3.42Å; C338-N343 PolarHBondContact O-ND2 3.37Å; F339-N343 PolarHBondContact O-N 3.39Å; Q340-N343 VanDerWaalsContact CA-OD1 3.26Å; Q340-N343 WeakPolarHBondContact CA-OD1 3.44Å; Q340-N343 PolarHBondContact O-OD1 3.27Å; N343-G345 PolarHBondContact O-N 2.98Å; N343-G345 PolarHBondContact OD1-N 3.42Å; N343-D346 WeakPolarHBondContact CB-O 3.37Å; N343-D346 WeakPolarHBondContact O-CB 3.41Å; N343-D346 PolarHBondContact O-N 3.49Å; N343-L377 HydrophobicContact CB-CD2 3.7Å; N343-L377 HydrophobicContact CB-CG 4.42Å
344R78.8Confident85.6Confident144 Ų14444.9 Ų44.954%0.54321%0.213SC..THydrogen-bonded Turntrans50.231.7177.2-63.6174.9-176.2169.511.5113.8Q340 I342 N376 D379Q340-R344 WeakPolarHBondContact O-CA 3.48Å; Q340-R344 PolarHBondContact O-N 3.33Å; I342-R344 PolarHBondContact O-N 3.32Å; R344-N376 HydrophobicContact CB-CB 4.01Å; R344-D379 IonicContact CZ-OD2 2.67Å; R344-D379 IonicContact NH1-OD2 3.26Å; R344-D379 IonicContact NH2-OD2 3.81Å; R344-D379 PolarHBondContact NH2-OD2 2.84Å; R344-D379 VanDerWaalsContact NH2-OD2 3.15Å
345G76.3Confident85.8Confident40 Ų4040.6 Ų40.641%0.41219%0.189SC..THydrogen-bonded Turntrans91.72.4179.600000115.4M314 N343M314-G345 WeakPolarHBondContact CE-O 3.49Å; N343-G345 PolarHBondContact O-N 2.98Å; N343-G345 PolarHBondContact OD1-N 3.42Å
346D78.6Confident85.9Confident8 Ų838.1 Ų38.14%0.04318%0.178CC..  trans-88.6124.4171.9-173.5-1.2000111.7M314 N343 W348 R373 N376 L377M314-D346 WeakPolarHBondContact CE-O 3.42Å; N343-D346 WeakPolarHBondContact CB-O 3.37Å; N343-D346 WeakPolarHBondContact O-CB 3.41Å; N343-D346 PolarHBondContact O-N 3.49Å; D346-W348 PolarHBondContact OD1-N 2.92Å; D346-W348 VanDerWaalsContact OD1-N 3.17Å; D346-R373 IonicContact OD1-NH2 2.96Å; D346-R373 PolarHBondContact OD1-NH2 2.84Å; D346-R373 VanDerWaalsContact OD1-NH2 3.13Å; D346-R373 IonicContact OD2-CZ 3.53Å; D346-R373 IonicContact OD2-NH1 3.72Å; D346-R373 PolarHBondContact OD2-NH1 2.92Å; D346-R373 IonicContact OD2-NH2 3.33Å; D346-R373 PolarHBondContact OD2-NH2 2.97Å; D346-N376 HydrophobicContact CB-CB 3.76Å; D346-N376 PolarHBondContact OD2-N 2.76Å; D346-L377 HydrophobicContact CB-CD1 4.22Å; D346-L377 HydrophobicContact CB-CG 3.97Å
347R82.3Confident86.2Confident16 Ų1634.2 Ų34.26%0.0616%0.161CC..  trans-96.5-11.1-169-47.8-174.790132.813.3112.1M314 D316 I349 A637 Y638M314-R347 HydrophobicContact CE-CB 4.03Å; M314-R347 HydrophobicContact CE-CG 3.45Å; M314-R347 VanDerWaalsContact CE-CG 3.45Å; M314-R347 HydrophobicContact CG-CG 3.84Å; M314-R347 HydrophobicContact SD-CG 4.17Å; D316-R347 VanDerWaalsContact CG-NH2 3.25Å; D316-R347 IonicContact OD1-CZ 2.83Å; D316-R347 VanDerWaalsContact OD1-CZ 3.25Å; D316-R347 IonicContact OD1-NH1 3.54Å; D316-R347 PolarHBondContact OD1-NH1 3.2Å; D316-R347 VanDerWaalsContact OD1-NH1 3.12Å; D316-R347 IonicContact OD1-NH2 2.76Å; D316-R347 PolarHBondContact OD1-NH2 2.77Å; D316-R347 IonicContact OD2-CZ 3.74Å; D316-R347 IonicContact OD2-NH1 3.77Å; D316-R347 PolarHBondContact OD2-NH1 3.04Å; D316-R347 IonicContact OD2-NH2 3.57Å; D316-R347 PolarHBondContact OD2-NH2 2.94Å; R347-I349 PolarHBondContact O-N 3.15Å; R347-A637 WeakPolarHBondContact CD-O 3.29Å; R347-A637 VanDerWaalsContact CZ-CA 3.48Å; R347-A637 PolarHBondContact NE-O 2.82Å; R347-A637 PolarHBondContact NH1-O 2.98Å; R347-Y638 HydrophobicContact CB-CD1 4.19Å; R347-Y638 HydrophobicContact CB-CE1 3.69Å
348W82.8Confident86.7Confident37 Ų3731.9 Ų31.914%0.1415%0.146CC..  trans-10267.8-159.8-49.5115.3000111.5D346 Q350 D351 Y638 F641 C647D346-W348 PolarHBondContact OD1-N 2.92Å; D346-W348 VanDerWaalsContact OD1-N 3.17Å; W348-Q350 PolarHBondContact O-N 3.47Å; W348-D351 HydrophobicContact CB-CB 3.83Å; W348-D351 WeakPolarHBondContact CB-OD2 3.27Å; W348-D351 PolarHBondContact O-N 2.73Å; W348-D351 VanDerWaalsContact O-N 3.1Å; W348-Y638 HydrophobicContact CE3-CD1 4.16Å; W348-Y638 HydrophobicContact CH2-CD1 4.08Å; W348-Y638 AromaticContact CZ3-CD1 3.61Å; W348-Y638 HydrophobicContact CZ3-CD1 3.61Å; W348-Y638 HydrophobicContact CZ3-CG 4.42Å; W348-F641 HydrophobicContact CH2-CB 4.24Å; W348-F641 HydrophobicContact CZ2-CB 3.67Å; W348-C647 WeakPolarHBondContact CA-O 3.21Å; W348-C647 HydrophobicContact CE3-CB 3.53Å; W348-C647 HydrophobicContact CZ3-CB 3.58Å
349I87.5Confident87.4Confident1 Ų132.8 Ų32.81%0.00515%0.15CC..Hα-helixtrans-65-25.4179.5-163.4157.9000112.7F310 C338 R347 D351 I353 L377 F380 N650F310-I349 HydrophobicContact CB-CD1 3.82Å; C338-I349 HydrophobicContact CB-CD1 4.44Å; R347-I349 PolarHBondContact O-N 3.15Å; I349-D351 VanDerWaalsContact C-N 3.31Å; I349-I353 HydrophobicContact CG1-CD1 4.07Å; I349-I353 HydrophobicContact CG1-CG1 4.23Å; I349-I353 WeakPolarHBondContact O-CG1 3.36Å; I349-L377 HydrophobicContact CB-CD1 4.49Å; I349-F380 HydrophobicContact CD1-CD1 4.42Å; I349-F380 HydrophobicContact CD1-CE1 3.65Å; I349-F380 HydrophobicContact CD1-CZ 3.77Å; I349-F380 HydrophobicContact CG1-CE1 4.21Å; I349-N650 HydrophobicContact CG2-CB 4.15Å
350Q87.6Confident88.1Confident4 Ų428 Ų282%0.01913%0.13CC..Hα-helixtrans-68.9-31.5173.5-170.662.814.900112.1W348 F408 G409 H646 C647 T649 N650W348-Q350 PolarHBondContact O-N 3.47Å; Q350-F408 CarbonylContact O-C 3.53Å; Q350-F408 WeakPolarHBondContact O-CB 3.38Å; Q350-G409 PolarHBondContact O-N 3.17Å; Q350-H646 WeakPolarHBondContact CB-O 3.3Å; Q350-H646 VanDerWaalsContact CD-CE1 3.5Å; Q350-H646 PolarHBondContact NE2-CE1 2.88Å; Q350-C647 WeakPolarHBondContact CB-O 3.49Å; Q350-C647 PolarHBondContact N-O 3.03Å; Q350-T649 PolarHBondContact OE1-O 3.03Å; Q350-N650 VanDerWaalsContact OE1-CB 3.29Å; Q350-N650 PolarHBondContact OE1-ND2 3.09Å; Q350-N650 PolarHBondContact OE1-OD1 2.78Å
351D89.8Confident89.1Confident14 Ų1426.4 Ų26.48%0.07513%0.126CC..Hα-helixtrans-78.3-28.7-174.4-78.9-11.6000113.2W348 I349 S371 S407 F408 H471W348-D351 HydrophobicContact CB-CB 3.83Å; W348-D351 WeakPolarHBondContact CB-OD2 3.27Å; W348-D351 PolarHBondContact O-N 2.73Å; W348-D351 VanDerWaalsContact O-N 3.1Å; I349-D351 VanDerWaalsContact C-N 3.31Å; D351-S371 WeakPolarHBondContact O-CB 3.5Å; D351-S407 WeakPolarHBondContact O-CA 3.44Å; D351-F408 PolarHBondContact O-N 3.02Å; D351-H471 IonicContact OD1-CE1 3.87Å; D351-H471 PolarHBondContact OD1-CE1 3.25Å; D351-H471 IonicContact OD1-ND1 2.81Å; D351-H471 IonicContact OD2-CE1 3.16Å
352E91.2Very high90.2Very high1 Ų121.5 Ų21.51%0.00511%0.109CC..Hα-helixtrans-89.4-30.4-174.5-15877.1169.100112.6S371 R373 D374 G375 L377 K378E352-S371 WeakPolarHBondContact O-CB 3.25Å; E352-S371 PolarHBondContact O-N 2.81Å; E352-R373 WeakPolarHBondContact OE2-CD 3.48Å; E352-R373 IonicContact OE2-CZ 2.7Å; E352-R373 IonicContact OE2-NE 3.6Å; E352-R373 IonicContact OE2-NH1 3.54Å; E352-R373 PolarHBondContact OE2-NH1 2.86Å; E352-D374 WeakPolarHBondContact OE1-CA 3.42Å; E352-G375 PolarHBondContact OE1-N 2.72Å; E352-G375 VanDerWaalsContact OE1-N 3.08Å; E352-G375 PolarHBondContact OE2-N 2.99Å; E352-L377 HydrophobicContact CB-CB 3.97Å; E352-L377 HydrophobicContact CG-CB 3.77Å; E352-K378 WeakPolarHBondContact OE1-CA 3.5Å; E352-K378 WeakPolarHBondContact OE1-CB 3.42Å; E352-K378 PolarHBondContact OE1-N 3.03Å
353I94.4Very high91.2Very high0 Ų022.1 Ų22.10%011%0.11CC..EExtended strand (participates in β ladder)trans-136.8149-170.458.2162.7000112.5I349 F355 V368 L369 F380 P381 L385 N650I349-I353 HydrophobicContact CG1-CD1 4.07Å; I349-I353 HydrophobicContact CG1-CG1 4.23Å; I349-I353 WeakPolarHBondContact O-CG1 3.36Å; I353-F355 HydrophobicContact CD1-CE1 4.02Å; I353-F355 HydrophobicContact CD1-CE2 4.05Å; I353-F355 HydrophobicContact CD1-CZ 3.56Å; I353-V368 HydrophobicContact CB-CG2 3.55Å; I353-V368 HydrophobicContact CD1-CG2 4.24Å; I353-V368 HydrophobicContact CG1-CG2 4.47Å; I353-V368 HydrophobicContact CG2-CG2 3.74Å; I353-L369 CarbonylContact C-O 3.5Å; I353-L369 WeakPolarHBondContact CA-O 3.16Å; I353-F380 HydrophobicContact CD1-CD1 4.37Å; I353-F380 HydrophobicContact CD1-CE1 4Å; I353-P381 HydrophobicContact CG2-CB 3.79Å; I353-P381 HydrophobicContact CG2-CG 3.65Å; I353-L385 HydrophobicContact CD1-CD1 3.66Å; I353-N650 PolarHBondContact O-ND2 2.94Å
354E98.3Very high92.1Very high10 Ų1024 Ų245%0.04713%0.13CC..EExtended strand (participates in β ladder)trans-128.2127.4171.9-173.953.4-134.800109.3W297 M299 G356 L369 F408 L411W297-E354 HydrophobicContact CH2-CB 4.22Å; W297-E354 HydrophobicContact CH2-CG 3.73Å; W297-E354 HydrophobicContact CZ2-CB 4.27Å; W297-E354 HydrophobicContact CZ2-CG 4.01Å; M299-E354 VanDerWaalsContact CE-CD 3.42Å; M299-E354 HydrophobicContact CE-CG 3.49Å; M299-E354 VanDerWaalsContact CE-CG 3.49Å; M299-E354 WeakPolarHBondContact CE-OE1 3.48Å; M299-E354 HydrophobicContact CG-CG 4.34Å; M299-E354 HydrophobicContact SD-CG 4.16Å; E354-G356 PolarHBondContact O-N 3.36Å; E354-L369 HydrophobicContact CB-CB 4.43Å; E354-L369 PolarHBondContact N-O 2.96Å; E354-L369 PolarHBondContact O-N 3.07Å; E354-F408 HydrophobicContact CB-CB 4.26Å; E354-F408 HydrophobicContact CB-CD2 3.59Å; E354-F408 HydrophobicContact CB-CE2 4.17Å; E354-F408 HydrophobicContact CB-CG 4.12Å; E354-L411 HydrophobicContact CB-CD2 4.27Å; E354-L411 HydrophobicContact CG-CD2 4.14Å; E354-L411 HydrophobicContact CG-CG 4.46Å
355F98.6Very high93Very high3 Ų317.5 Ų17.51%0.01311%0.106CC..EExtended strand (participates in β ladder)trans-86.1112.3-179.7-68.6-61.6000110.6F310 I353 V368 L385 F390 N650 R652F310-F355 HydrophobicContact CD1-CZ 4.3Å; F310-F355 AromaticContact CD2-CE2 3.5Å; F310-F355 HydrophobicContact CD2-CE2 3.5Å; F310-F355 VanDerWaalsContact CD2-CE2 3.5Å; F310-F355 AromaticContact CD2-CZ 3.51Å; F310-F355 HydrophobicContact CD2-CZ 3.51Å; F310-F355 HydrophobicContact CE1-CZ 4.21Å; F310-F355 HydrophobicContact CE2-CE1 4.17Å; F310-F355 AromaticContact CE2-CE2 3.74Å; F310-F355 HydrophobicContact CE2-CE2 3.74Å; F310-F355 AromaticContact CE2-CZ 3.4Å; F310-F355 HydrophobicContact CE2-CZ 3.4Å; F310-F355 HydrophobicContact CG-CE2 4.11Å; F310-F355 AromaticContact CG-CZ 3.95Å; F310-F355 HydrophobicContact CG-CZ 3.95Å; F310-F355 HydrophobicContact CZ-CE1 4.3Å; F310-F355 AromaticContact CZ-CZ 3.75Å; F310-F355 HydrophobicContact CZ-CZ 3.75Å; I353-F355 HydrophobicContact CD1-CE1 4.02Å; I353-F355 HydrophobicContact CD1-CE2 4.05Å; I353-F355 HydrophobicContact CD1-CZ 3.56Å; F355-V368 HydrophobicContact CD1-CG2 4.25Å; F355-V368 HydrophobicContact CE1-CG2 4.26Å; F355-L385 HydrophobicContact CE1-CD1 3.86Å; F355-L385 HydrophobicContact CZ-CD1 4.21Å; F355-F390 HydrophobicContact CD1-CE1 4.37Å; F355-F390 AromaticContact CD1-CZ 3.79Å; F355-F390 HydrophobicContact CD1-CZ 3.79Å; F355-F390 HydrophobicContact CE1-CE1 4.13Å; F355-F390 AromaticContact CE1-CZ 3.57Å; F355-F390 HydrophobicContact CE1-CZ 3.57Å; F355-N650 HydrophobicContact CD2-CB 4.4Å; F355-N650 WeakPolarHBondContact CD2-OD1 3.02Å; F355-N650 HydrophobicContact CE2-CB 3.96Å; F355-R652 HydrophobicContact CB-CG 4.5Å; F355-R652 HydrophobicContact CD2-CB 4.03Å; F355-R652 HydrophobicContact CE2-CB 4.4Å; F355-R652 HydrophobicContact CG-CB 4.12Å; F355-R652 HydrophobicContact CG-CG 4.42Å
356G98.7Very high94.1Very high5 Ų517 Ų175%0.05210%0.095CC..EExtended strand (participates in β ladder)trans-115.5-167.5167.400000112.7I298 E354 P366 V367I298-G356 CarbonylContact O-C 3.52Å; I298-G356 WeakPolarHBondContact O-CA 3.44Å; E354-G356 PolarHBondContact O-N 3.36Å; G356-P366 CarbonylContact O-C 3.54Å; G356-P366 WeakPolarHBondContact O-CA 3.48Å; G356-V367 CarbonylContact C-O 3.48Å; G356-V367 WeakPolarHBondContact CA-O 3.31Å; G356-V367 PolarHBondContact N-O 3.47Å; G356-V367 PolarHBondContact O-N 2.69Å
357Y98.9Very high95.1Very high10 Ų1016.6 Ų16.64%0.0399%0.093CC..EExtended strand (participates in β ladder)trans-148163.1174.372.8-82.8000111.7I298 T300 E359 F365 P655 F656I298-Y357 HydrophobicContact CB-CD1 4.04Å; I298-Y357 HydrophobicContact CB-CE1 3.66Å; I298-Y357 HydrophobicContact CB-CE2 4.42Å; I298-Y357 HydrophobicContact CD1-CE2 4.05Å; I298-Y357 HydrophobicContact CG2-CD1 4.31Å; I298-Y357 HydrophobicContact CG2-CE1 3.5Å; I298-Y357 VanDerWaalsContact CG2-CE1 3.5Å; I298-Y357 PolarHBondContact N-O 3.04Å; I298-Y357 VanDerWaalsContact O-CD1 3.31Å; I298-Y357 WeakPolarHBondContact O-CD1 3.27Å; I298-Y357 PolarHBondContact O-N 2.96Å; T300-Y357 HydrophobicContact CG2-CD1 4.02Å; T300-Y357 HydrophobicContact CG2-CE1 4.22Å; Y357-E359 HydrophobicContact CD2-CB 4.23Å; Y357-E359 HydrophobicContact CE2-CB 4.14Å; Y357-F365 WeakPolarHBondContact CA-O 3.37Å; Y357-P655 HydrophobicContact CD1-CB 3.82Å; Y357-P655 HydrophobicContact CD2-CB 3.58Å; Y357-P655 HydrophobicContact CE1-CB 3.74Å; Y357-P655 HydrophobicContact CE2-CB 3.49Å; Y357-P655 VanDerWaalsContact CE2-CB 3.49Å; Y357-P655 HydrophobicContact CG-CB 3.74Å; Y357-F656 HydrophobicContact CE1-CD2 4.21Å; Y357-F656 PolarHBondContact OH-N 3.2Å
358I98.9Very high95.8Very high0 Ų015.9 Ų15.90%09%0.09CC..EExtended strand (participates in β ladder)trans-124.2152.7167.164.6176.7000109.6L152 V153 F257 G364 F365 V367L152-I358 HydrophobicContact CB-CD1 4.02Å; L152-I358 HydrophobicContact CD2-CB 4.19Å; L152-I358 HydrophobicContact CD2-CD1 3.94Å; L152-I358 HydrophobicContact CD2-CG1 3.96Å; L152-I358 HydrophobicContact CG-CD1 4.41Å; V153-I358 WeakPolarHBondContact O-CD1 3.47Å; F257-I358 HydrophobicContact CE1-CG2 3.49Å; F257-I358 VanDerWaalsContact CE1-CG2 3.49Å; F257-I358 HydrophobicContact CZ-CG2 3.76Å; I358-G364 CarbonylContact O-C 3.54Å; I358-G364 WeakPolarHBondContact O-CA 3.47Å; I358-F365 HydrophobicContact CD1-CD2 4.38Å; I358-F365 HydrophobicContact CD1-CE1 3.98Å; I358-F365 HydrophobicContact CD1-CE2 3.68Å; I358-F365 HydrophobicContact CD1-CZ 3.47Å; I358-F365 VanDerWaalsContact CD1-CZ 3.47Å; I358-F365 HydrophobicContact CG1-CD2 4.24Å; I358-F365 HydrophobicContact CG1-CE1 4.33Å; I358-F365 HydrophobicContact CG1-CE2 4.04Å; I358-F365 HydrophobicContact CG1-CG 4.5Å; I358-F365 HydrophobicContact CG1-CZ 4.11Å; I358-F365 PolarHBondContact N-O 3.1Å; I358-F365 PolarHBondContact O-N 2.92Å; I358-F365 VanDerWaalsContact O-N 3.12Å; I358-V367 HydrophobicContact CB-CG2 4.36Å; I358-V367 HydrophobicContact CD1-CG2 4.07Å; I358-V367 HydrophobicContact CG1-CG2 3.83Å; I358-V367 HydrophobicContact CG2-CG2 3.84Å
359E98.9Very high96.6Very high24 Ų2414.2 Ų14.211%0.1128%0.084CC..EExtended strand (participates in β ladder)trans-149.8139.4-176.6-169174.5-147.700112.1Y357 K659 W660 W661Y357-E359 HydrophobicContact CD2-CB 4.23Å; Y357-E359 HydrophobicContact CE2-CB 4.14Å; E359-K659 IonicContact OE1-NZ 3.21Å; E359-K659 PolarHBondContact OE1-NZ 2.88Å; E359-K659 WeakPolarHBondContact OE2-CD 3.44Å; E359-K659 IonicContact OE2-NZ 2.77Å; E359-W660 PolarHBondContact O-NE1 3.05Å; E359-W661 HydrophobicContact CB-CZ3 4.48Å; E359-W661 HydrophobicContact CG-CH2 4.33Å; E359-W661 HydrophobicContact CG-CZ3 4.15Å
360A98.8Very high97Very high4 Ų414.3 Ų14.33%0.0339%0.085CC..  trans-132.4169.5170.900000109I150 L152 H362 K363I150-A360 HydrophobicContact CB-CB 4.48Å; I150-A360 HydrophobicContact CG2-CB 3.73Å; L152-A360 HydrophobicContact CD1-CB 4.26Å; L152-A360 HydrophobicContact CD2-CB 3.63Å; L152-A360 HydrophobicContact CG-CB 3.76Å; A360-H362 VanDerWaalsContact CB-CE1 3.46Å; A360-H362 WeakPolarHBondContact CB-CE1 3.34Å; A360-H362 PolarHBondContact O-N 3.07Å; A360-K363 CarbonylContact C-O 3.58Å; A360-K363 WeakPolarHBondContact CA-O 3.45Å; A360-K363 PolarHBondContact N-O 3Å; A360-K363 PolarHBondContact O-N 2.88Å
361P98.6Very high97.3Very high36 Ų3614.1 Ų14.123%0.2348%0.084CC..SBendtrans-57.3-32.9179.3-29.338.1000114.4R126 I150 W661R126-P361 HydrophobicContact CB-CG 3.67Å; R126-P361 HydrophobicContact CG-CG 4.37Å; R126-P361 WeakPolarHBondContact O-CB 3.49Å; I150-P361 HydrophobicContact CD1-CG 4.39Å; P361-W661 HydrophobicContact CG-CH2 4.34Å; P361-W661 HydrophobicContact CG-CZ2 4.17Å
362H98.2Very high97.4Very high70 Ų7013.6 Ų13.632%0.3248%0.081SC..SBendtrans-93.7-26.5-174.855.7-83.8000114.3S182 A360S182-H362 PolarHBondContact OG-CE1 3.18Å; A360-H362 VanDerWaalsContact CB-CE1 3.46Å; A360-H362 WeakPolarHBondContact CB-CE1 3.34Å; A360-H362 PolarHBondContact O-N 3.07Å
363K98.5Very high97Very high37 Ų3716.4 Ų16.416%0.1619%0.092CC..  trans-159.7160.8-176.8-165.8165.1178.1-165.10111.6L152 K179 D180 A360 D389L152-K363 HydrophobicContact CD1-CB 4.15Å; K179-K363 HydrophobicContact CB-CD 4.01Å; K179-K363 WeakPolarHBondContact O-CD 3.3Å; D180-K363 WeakPolarHBondContact OD1-CD 3.19Å; D180-K363 WeakPolarHBondContact OD1-CE 3.45Å; D180-K363 IonicContact OD1-NZ 3.93Å; D180-K363 PolarHBondContact OD1-NZ 2.82Å; D180-K363 IonicContact OD2-NZ 3.33Å; D180-K363 PolarHBondContact OD2-NZ 3.17Å; A360-K363 CarbonylContact C-O 3.58Å; A360-K363 WeakPolarHBondContact CA-O 3.45Å; A360-K363 PolarHBondContact N-O 3Å; A360-K363 PolarHBondContact O-N 2.88Å; K363-D389 WeakPolarHBondContact CE-OD1 3.32Å; K363-D389 IonicContact NZ-OD1 3.18Å; K363-D389 PolarHBondContact NZ-OD1 3.12Å
364G98.3Very high96.3Very high41 Ų4120 Ų2042%0.42311%0.111SC..EExtended strand (participates in β ladder)trans-163.2148.6168.800000110.3I358I358-G364 CarbonylContact O-C 3.54Å; I358-G364 WeakPolarHBondContact O-CA 3.47Å
365F98.8Very high95.1Very high7 Ų720.5 Ų20.53%0.03112%0.119CC..EExtended strand (participates in β ladder)trans-150.2157.3-177.253.6-96.9000111.9L152 D156 D180 Y357 I358 V367 D389L152-F365 HydrophobicContact CD1-CD1 4.4Å; L152-F365 HydrophobicContact CD1-CE1 3.93Å; D156-F365 HydrophobicContact CB-CD2 4.45Å; D156-F365 HydrophobicContact CB-CE2 4Å; D156-F365 HydrophobicContact CB-CZ 4.39Å; D180-F365 HydrophobicContact CB-CE1 4.35Å; D180-F365 WeakPolarHBondContact OD1-CD1 3.48Å; D180-F365 WeakPolarHBondContact OD1-CE1 3.19Å; Y357-F365 WeakPolarHBondContact CA-O 3.37Å; I358-F365 HydrophobicContact CD1-CD2 4.38Å; I358-F365 HydrophobicContact CD1-CE1 3.98Å; I358-F365 HydrophobicContact CD1-CE2 3.68Å; I358-F365 HydrophobicContact CD1-CZ 3.47Å; I358-F365 VanDerWaalsContact CD1-CZ 3.47Å; I358-F365 HydrophobicContact CG1-CD2 4.24Å; I358-F365 HydrophobicContact CG1-CE1 4.33Å; I358-F365 HydrophobicContact CG1-CE2 4.04Å; I358-F365 HydrophobicContact CG1-CG 4.5Å; I358-F365 HydrophobicContact CG1-CZ 4.11Å; I358-F365 PolarHBondContact N-O 3.1Å; I358-F365 PolarHBondContact O-N 2.92Å; I358-F365 VanDerWaalsContact O-N 3.12Å; F365-V367 HydrophobicContact CD2-CG2 3.95Å; F365-V367 HydrophobicContact CE2-CG2 3.86Å; F365-D389 HydrophobicContact CB-CB 4.17Å
366P98.6Very high94.1Very high29 Ų2924.8 Ų24.819%0.18814%0.142CC..EExtended strand (participates in β ladder)trans-63.9144.2174.4-19.732.7000112.1G356 D389 F390 G391G356-P366 CarbonylContact O-C 3.54Å; G356-P366 WeakPolarHBondContact O-CA 3.48Å; P366-D389 WeakPolarHBondContact CD-O 3.33Å; P366-F390 HydrophobicContact CB-CD2 4.16Å; P366-F390 HydrophobicContact CB-CE2 3.92Å; P366-F390 HydrophobicContact CB-CZ 4.29Å; P366-F390 HydrophobicContact CG-CD2 4.42Å; P366-F390 HydrophobicContact CG-CE2 4.36Å; P366-G391 PolarHBondContact O-N 3.42Å
367V98.8Very high93.1Very high0 Ų024.6 Ų24.60%014%0.14CC..EExtended strand (participates in β ladder)trans-133.7121176.5-179.40000108.6F257 W297 G356 I358 F365 G391 V393F257-V367 HydrophobicContact CZ-CG1 4.25Å; W297-V367 PolarHBondContact NE1-O 2.86Å; G356-V367 CarbonylContact C-O 3.48Å; G356-V367 WeakPolarHBondContact CA-O 3.31Å; G356-V367 PolarHBondContact N-O 3.47Å; G356-V367 PolarHBondContact O-N 2.69Å; I358-V367 HydrophobicContact CB-CG2 4.36Å; I358-V367 HydrophobicContact CD1-CG2 4.07Å; I358-V367 HydrophobicContact CG1-CG2 3.83Å; I358-V367 HydrophobicContact CG2-CG2 3.84Å; F365-V367 HydrophobicContact CD2-CG2 3.95Å; F365-V367 HydrophobicContact CE2-CG2 3.86Å; V367-G391 WeakPolarHBondContact CA-O 3.36Å; V367-V393 HydrophobicContact CG1-CB 4.4Å; V367-V393 HydrophobicContact CG1-CG1 3.86Å
368V98.2Very high92.1Very high0 Ų028.2 Ų28.20%016%0.156CC..EExtended strand (participates in β ladder)trans-80127.2174.475.50000109.8I353 F355 P381 L385 F390 G391 Y392 V393I353-V368 HydrophobicContact CB-CG2 3.55Å; I353-V368 HydrophobicContact CD1-CG2 4.24Å; I353-V368 HydrophobicContact CG1-CG2 4.47Å; I353-V368 HydrophobicContact CG2-CG2 3.74Å; F355-V368 HydrophobicContact CD1-CG2 4.25Å; F355-V368 HydrophobicContact CE1-CG2 4.26Å; V368-P381 HydrophobicContact CG1-CB 3.88Å; V368-L385 HydrophobicContact CB-CD1 4.41Å; V368-L385 HydrophobicContact CG1-CD1 4.45Å; V368-L385 HydrophobicContact CG2-CD1 4.03Å; V368-F390 HydrophobicContact CB-CE1 4.11Å; V368-G391 PolarHBondContact N-O 2.91Å; V368-Y392 HydrophobicContact CG1-CD2 3.81Å; V368-V393 PolarHBondContact O-N 2.92Å
369L98.3Very high91.2Very high2 Ų230.6 Ų30.61%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-87.8127.3162.5178.666.1000107.3W297 I353 E354 V393 F408 L411 F450 L451W297-L369 HydrophobicContact CH2-CB 4Å; W297-L369 HydrophobicContact CH2-CD2 3.74Å; W297-L369 HydrophobicContact CZ2-CB 3.5Å; W297-L369 HydrophobicContact CZ2-CD2 4.13Å; W297-L369 HydrophobicContact CZ2-CG 4.47Å; W297-L369 HydrophobicContact CZ3-CD2 4.02Å; I353-L369 CarbonylContact C-O 3.5Å; I353-L369 WeakPolarHBondContact CA-O 3.16Å; E354-L369 HydrophobicContact CB-CB 4.43Å; E354-L369 PolarHBondContact N-O 2.96Å; E354-L369 PolarHBondContact O-N 3.07Å; L369-V393 CarbonylContact C-O 3.57Å; L369-V393 WeakPolarHBondContact CA-O 3.26Å; L369-V393 HydrophobicContact CB-CG1 4.23Å; L369-V393 HydrophobicContact CD1-CG1 3.82Å; L369-F408 HydrophobicContact CB-CE2 4.17Å; L369-F408 HydrophobicContact CD2-CE1 4.41Å; L369-F408 HydrophobicContact CD2-CE2 3.9Å; L369-F408 HydrophobicContact CD2-CZ 3.63Å; L369-F408 HydrophobicContact CG-CE2 3.62Å; L369-F408 HydrophobicContact CG-CZ 3.65Å; L369-F408 WeakPolarHBondContact O-CE2 3.41Å; L369-L411 HydrophobicContact CD2-CD2 4.03Å; L369-F450 HydrophobicContact CD1-CD1 4.3Å; L369-F450 HydrophobicContact CD1-CE1 3.81Å; L369-F450 HydrophobicContact CD1-CZ 4.45Å; L369-F450 HydrophobicContact CD2-CD1 4.46Å; L369-F450 HydrophobicContact CD2-CE1 4.12Å; L369-L451 HydrophobicContact CD2-CD2 4.28Å
370D96.4Very high90.4Very high3 Ų330 Ų302%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-101.5131.4179.2-175.323.4000109.8P381 Y392 V393 T394D370-P381 HydrophobicContact CB-CB 4.49Å; D370-P381 HydrophobicContact CB-CG 4.05Å; D370-P381 VanDerWaalsContact CG-CG 3.41Å; D370-P381 WeakPolarHBondContact OD1-CG 3.32Å; D370-Y392 HydrophobicContact CB-CD2 4.37Å; D370-Y392 HydrophobicContact CB-CE2 3.46Å; D370-Y392 VanDerWaalsContact CB-CE2 3.46Å; D370-Y392 VanDerWaalsContact OD2-CE2 3.28Å; D370-Y392 WeakPolarHBondContact OD2-CE2 3.49Å; D370-Y392 PolarHBondContact OD2-OH 2.77Å; D370-V393 PolarHBondContact N-O 3.16Å; D370-T394 PolarHBondContact O-OG1 3.13Å
371S95.1Very high89.3Confident0 Ų029.8 Ų29.80%016%0.164CC..PPolyproline II helixtrans-79.9142-173.7172.30000110.8D351 E352 R373 D406 F408D351-S371 WeakPolarHBondContact O-CB 3.5Å; E352-S371 WeakPolarHBondContact O-CB 3.25Å; E352-S371 PolarHBondContact O-N 2.81Å; S371-R373 PolarHBondContact O-N 3.06Å; S371-R373 VanDerWaalsContact OG-CB 3.28Å; S371-R373 WeakPolarHBondContact OG-CB 3.33Å; S371-R373 PolarHBondContact OG-N 3.24Å; S371-D406 PolarHBondContact OG-O 2.69Å; S371-F408 VanDerWaalsContact CA-CZ 3.45Å; S371-F408 VanDerWaalsContact N-CE2 3.34Å
372P90.9Very high88.3Confident3 Ų330.1 Ų30.12%0.01917%0.166CC..THydrogen-bonded Turntrans-69.74.6170.732.5-36.6000113.1D374 P397 V402 D406 V447P372-D374 PolarHBondContact O-N 2.81Å; P372-P397 HydrophobicContact CB-CG 4.47Å; P372-V402 HydrophobicContact CB-CG2 4.03Å; P372-V402 WeakPolarHBondContact O-CG1 3.15Å; P372-V402 WeakPolarHBondContact O-CG2 3.43Å; P372-D406 HydrophobicContact CG-CB 4.19Å; P372-V447 HydrophobicContact CG-CG2 3.92Å
373R83.4Confident87.4Confident60 Ų6032.4 Ų32.423%0.22617%0.174CC..THydrogen-bonded Turntrans-49-41.2169.4174.2-179.8176.9-84.45.1111.6D346 E352 S371 G375 S407D346-R373 IonicContact OD1-NH2 2.96Å; D346-R373 PolarHBondContact OD1-NH2 2.84Å; D346-R373 VanDerWaalsContact OD1-NH2 3.13Å; D346-R373 IonicContact OD2-CZ 3.53Å; D346-R373 IonicContact OD2-NH1 3.72Å; D346-R373 PolarHBondContact OD2-NH1 2.92Å; D346-R373 IonicContact OD2-NH2 3.33Å; D346-R373 PolarHBondContact OD2-NH2 2.97Å; E352-R373 WeakPolarHBondContact OE2-CD 3.48Å; E352-R373 IonicContact OE2-CZ 2.7Å; E352-R373 IonicContact OE2-NE 3.6Å; E352-R373 IonicContact OE2-NH1 3.54Å; E352-R373 PolarHBondContact OE2-NH1 2.86Å; S371-R373 PolarHBondContact O-N 3.06Å; S371-R373 VanDerWaalsContact OG-CB 3.28Å; S371-R373 WeakPolarHBondContact OG-CB 3.33Å; S371-R373 PolarHBondContact OG-N 3.24Å; R373-G375 VanDerWaalsContact C-N 3.28Å; R373-G375 PolarHBondContact O-N 3.25Å; R373-S407 WeakPolarHBondContact CD-OG 3.49Å
374D78.6Confident86.6Confident75 Ų7535.4 Ų35.440%0.40119%0.189SC..  trans55.241.7169.4-137.925.4000112.8E352 P372 K378E352-D374 WeakPolarHBondContact OE1-CA 3.42Å; P372-D374 PolarHBondContact O-N 2.81Å; D374-K378 VanDerWaalsContact OD1-CB 3.22Å; D374-K378 WeakPolarHBondContact OD1-CB 3.37Å; D374-K378 WeakPolarHBondContact OD1-CD 3.48Å
375G74.3Confident86.2Confident21 Ų2134.2 Ų34.222%0.21617%0.173CC..  trans-77-154.6-176.600000113.1E352 R373 L377 K378E352-G375 PolarHBondContact OE1-N 2.72Å; E352-G375 VanDerWaalsContact OE1-N 3.08Å; E352-G375 PolarHBondContact OE2-N 2.99Å; R373-G375 VanDerWaalsContact C-N 3.28Å; R373-G375 PolarHBondContact O-N 3.25Å; G375-L377 PolarHBondContact O-N 3.1Å; G375-K378 WeakPolarHBondContact O-CG 3.39Å; G375-K378 PolarHBondContact O-N 3.36Å
376N77.7Confident85.9Confident94 Ų9434 Ų3450%0.50317%0.172SC..THydrogen-bonded Turntrans-74-11.3176.7-55.2-54.3000112.5R344 D346R344-N376 HydrophobicContact CB-CB 4.01Å; D346-N376 HydrophobicContact CB-CB 3.76Å; D346-N376 PolarHBondContact OD2-N 2.76Å
377L76.8Confident85.8Confident1 Ų133.1 Ų33.11%0.00517%0.168CC..THydrogen-bonded Turntrans-87.7-2.5173.8-81.4168.4000114.6N343 D346 I349 E352 G375 D379 F380 P381N343-L377 HydrophobicContact CB-CD2 3.7Å; N343-L377 HydrophobicContact CB-CG 4.42Å; D346-L377 HydrophobicContact CB-CD1 4.22Å; D346-L377 HydrophobicContact CB-CG 3.97Å; I349-L377 HydrophobicContact CB-CD1 4.49Å; E352-L377 HydrophobicContact CB-CB 3.97Å; E352-L377 HydrophobicContact CG-CB 3.77Å; G375-L377 PolarHBondContact O-N 3.1Å; L377-D379 PolarHBondContact O-N 3.38Å; L377-F380 HydrophobicContact CB-CB 4.44Å; L377-F380 HydrophobicContact CD2-CB 3.8Å; L377-F380 HydrophobicContact CD2-CD2 4.39Å; L377-F380 HydrophobicContact CD2-CG 4.05Å; L377-F380 WeakPolarHBondContact O-CA 3.47Å; L377-F380 WeakPolarHBondContact O-CB 3.28Å; L377-F380 PolarHBondContact O-N 3.48Å; L377-P381 WeakPolarHBondContact O-CD 3.32Å
378K78Confident85.7Confident86 Ų8637 Ų3737%0.37419%0.193SC..THydrogen-bonded Turntrans-52.3-31.8-177.170.1-176.6-168.4170.60116.3E352 D374 G375 F380E352-K378 WeakPolarHBondContact OE1-CA 3.5Å; E352-K378 WeakPolarHBondContact OE1-CB 3.42Å; E352-K378 PolarHBondContact OE1-N 3.03Å; D374-K378 VanDerWaalsContact OD1-CB 3.22Å; D374-K378 WeakPolarHBondContact OD1-CB 3.37Å; D374-K378 WeakPolarHBondContact OD1-CD 3.48Å; G375-K378 WeakPolarHBondContact O-CG 3.39Å; G375-K378 PolarHBondContact O-N 3.36Å; K378-F380 VanDerWaalsContact C-N 3.33Å
379D80.5Confident85.6Confident50 Ų5040.7 Ų40.727%0.26721%0.213SC..Hα-helixtrans-80.4-16.9179.2-76.8-21.1000112R344 L377 K383R344-D379 IonicContact CZ-OD2 2.67Å; R344-D379 IonicContact NH1-OD2 3.26Å; R344-D379 IonicContact NH2-OD2 3.81Å; R344-D379 PolarHBondContact NH2-OD2 2.84Å; R344-D379 VanDerWaalsContact NH2-OD2 3.15Å; L377-D379 PolarHBondContact O-N 3.38Å; D379-K383 HydrophobicContact CB-CD 3.92Å; D379-K383 HydrophobicContact CB-CG 4.45Å; D379-K383 WeakPolarHBondContact O-CB 3.45Å; D379-K383 VanDerWaalsContact O-CG 3.26Å; D379-K383 WeakPolarHBondContact O-CG 3.06Å; D379-K383 PolarHBondContact O-N 3.16Å; D379-K383 IonicContact OD1-NZ 2.72Å; D379-K383 IonicContact OD2-NZ 2.68Å; D379-K383 PolarHBondContact OD2-NZ 3.49Å
380F81.1Confident85.6Confident10 Ų1041.6 Ų41.64%0.04422%0.217CC..Hα-helixtrans-61.5-55.1-173.3177-101.2000112.8F310 C338 I342 I349 I353 L377 K378 V382 K383 E384 L385F310-F380 HydrophobicContact CD1-CZ 4.38Å; C338-F380 HydrophobicContact CB-CD2 4.32Å; C338-F380 HydrophobicContact CB-CE2 3.65Å; C338-F380 HydrophobicContact CB-CZ 4.17Å; C338-F380 VanDerWaalsContact SG-CD2 3.53Å; C338-F380 WeakPolarHBondContact SG-CE2 3.1Å; I342-F380 HydrophobicContact CG2-CD2 3.73Å; I342-F380 HydrophobicContact CG2-CE2 4.5Å; I349-F380 HydrophobicContact CD1-CD1 4.42Å; I349-F380 HydrophobicContact CD1-CE1 3.65Å; I349-F380 HydrophobicContact CD1-CZ 3.77Å; I349-F380 HydrophobicContact CG1-CE1 4.21Å; I353-F380 HydrophobicContact CD1-CD1 4.37Å; I353-F380 HydrophobicContact CD1-CE1 4Å; L377-F380 HydrophobicContact CB-CB 4.44Å; L377-F380 HydrophobicContact CD2-CB 3.8Å; L377-F380 HydrophobicContact CD2-CD2 4.39Å; L377-F380 HydrophobicContact CD2-CG 4.05Å; L377-F380 WeakPolarHBondContact O-CA 3.47Å; L377-F380 WeakPolarHBondContact O-CB 3.28Å; L377-F380 PolarHBondContact O-N 3.48Å; K378-F380 VanDerWaalsContact C-N 3.33Å; F380-V382 VanDerWaalsContact C-N 3.33Å; F380-V382 PolarHBondContact O-N 2.9Å; F380-K383 PolarHBondContact O-N 2.95Å; F380-E384 HydrophobicContact CD2-CB 3.92Å; F380-E384 HydrophobicContact CD2-CG 3.74Å; F380-E384 HydrophobicContact CE2-CB 3.79Å; F380-E384 HydrophobicContact CE2-CG 3.91Å; F380-E384 HydrophobicContact CZ-CB 4.4Å; F380-E384 WeakPolarHBondContact O-CB 3.49Å; F380-E384 PolarHBondContact O-N 2.79Å; F380-L385 HydrophobicContact CD1-CD1 4.19Å; F380-L385 HydrophobicContact CD1-CG 4.4Å; F380-L385 HydrophobicContact CE1-CD1 3.76Å; F380-L385 HydrophobicContact CE1-CD2 4.16Å; F380-L385 HydrophobicContact CE1-CG 3.91Å; F380-L385 HydrophobicContact CZ-CD2 4.23Å; F380-L385 HydrophobicContact CZ-CG 4.35Å
381P77.3Confident85.7Confident0 Ų041.5 Ų41.50%022%0.216CC..Iπ-helixtrans-59.8-42.1-178.914.4-23.8000112.7I353 V368 D370 L377 L385 L386 Y392I353-P381 HydrophobicContact CG2-CB 3.79Å; I353-P381 HydrophobicContact CG2-CG 3.65Å; V368-P381 HydrophobicContact CG1-CB 3.88Å; D370-P381 HydrophobicContact CB-CB 4.49Å; D370-P381 HydrophobicContact CB-CG 4.05Å; D370-P381 VanDerWaalsContact CG-CG 3.41Å; D370-P381 WeakPolarHBondContact OD1-CG 3.32Å; L377-P381 WeakPolarHBondContact O-CD 3.32Å; P381-L385 HydrophobicContact CB-CD1 4.33Å; P381-L385 WeakPolarHBondContact O-CA 3.36Å; P381-L385 WeakPolarHBondContact O-CB 2.91Å; P381-L385 PolarHBondContact O-N 3.02Å; P381-L385 VanDerWaalsContact O-N 3.16Å; P381-L386 PolarHBondContact O-N 3.49Å; P381-Y392 HydrophobicContact CB-CD2 3.97Å; P381-Y392 HydrophobicContact CB-CE2 3.85Å; P381-Y392 HydrophobicContact CG-CE2 4.11Å
382V77.1Confident85.8Confident44 Ų4442.6 Ų42.627%0.26722%0.221SC..Iπ-helixtrans-72.5-35.8179.6-1790000112.9F380 L386 Y392F380-V382 VanDerWaalsContact C-N 3.33Å; F380-V382 PolarHBondContact O-N 2.9Å; V382-L386 HydrophobicContact CG1-CD2 4.41Å; V382-Y392 HydrophobicContact CG2-CD1 4.45Å; V382-Y392 HydrophobicContact CG2-CD2 3.94Å; V382-Y392 HydrophobicContact CG2-CE1 3.99Å; V382-Y392 HydrophobicContact CG2-CE2 3.42Å; V382-Y392 VanDerWaalsContact CG2-CE2 3.42Å; V382-Y392 HydrophobicContact CG2-CG 4.42Å; V382-Y392 VanDerWaalsContact CG2-CZ 3.45Å
383K78.3Confident86.2Confident117 Ų11742.8 Ų42.851%0.50922%0.221SC..Iπ-helixtrans-87.3-35.1-175.9-69-177.8-172.3165.70114D379 F380D379-K383 HydrophobicContact CB-CD 3.92Å; D379-K383 HydrophobicContact CB-CG 4.45Å; D379-K383 WeakPolarHBondContact O-CB 3.45Å; D379-K383 VanDerWaalsContact O-CG 3.26Å; D379-K383 WeakPolarHBondContact O-CG 3.06Å; D379-K383 PolarHBondContact O-N 3.16Å; D379-K383 IonicContact OD1-NZ 2.72Å; D379-K383 IonicContact OD2-NZ 2.68Å; D379-K383 PolarHBondContact OD2-NZ 3.49Å; F380-K383 PolarHBondContact O-N 2.95Å
384E82.3Confident86.9Confident100 Ų10041.6 Ų41.647%0.46722%0.221SC..Iπ-helixtrans-111.9-25-169.9-58.2-64.5146.500113.6I342 F380I342-E384 HydrophobicContact CD1-CG 4.06Å; I342-E384 WeakPolarHBondContact CD1-OE1 3.49Å; I342-E384 HydrophobicContact CG2-CG 3.81Å; F380-E384 HydrophobicContact CD2-CB 3.92Å; F380-E384 HydrophobicContact CD2-CG 3.74Å; F380-E384 HydrophobicContact CE2-CB 3.79Å; F380-E384 HydrophobicContact CE2-CG 3.91Å; F380-E384 HydrophobicContact CZ-CB 4.4Å; F380-E384 WeakPolarHBondContact O-CB 3.49Å; F380-E384 PolarHBondContact O-N 2.79Å
385L89.4Confident87.8Confident16 Ų1639.8 Ų39.88%0.08421%0.208CC..Iπ-helixtrans-104.1-43.4-176.8-58.4-178.9000113.1F310 I353 F355 V368 F380 P381 G387 F390F310-L385 HydrophobicContact CD1-CD2 4.42Å; F310-L385 HydrophobicContact CE1-CD2 3.53Å; F310-L385 HydrophobicContact CZ-CD2 3.96Å; I353-L385 HydrophobicContact CD1-CD1 3.66Å; F355-L385 HydrophobicContact CE1-CD1 3.86Å; F355-L385 HydrophobicContact CZ-CD1 4.21Å; V368-L385 HydrophobicContact CB-CD1 4.41Å; V368-L385 HydrophobicContact CG1-CD1 4.45Å; V368-L385 HydrophobicContact CG2-CD1 4.03Å; F380-L385 HydrophobicContact CD1-CD1 4.19Å; F380-L385 HydrophobicContact CD1-CG 4.4Å; F380-L385 HydrophobicContact CE1-CD1 3.76Å; F380-L385 HydrophobicContact CE1-CD2 4.16Å; F380-L385 HydrophobicContact CE1-CG 3.91Å; F380-L385 HydrophobicContact CZ-CD2 4.23Å; F380-L385 HydrophobicContact CZ-CG 4.35Å; P381-L385 HydrophobicContact CB-CD1 4.33Å; P381-L385 WeakPolarHBondContact O-CA 3.36Å; P381-L385 WeakPolarHBondContact O-CB 2.91Å; P381-L385 PolarHBondContact O-N 3.02Å; P381-L385 VanDerWaalsContact O-N 3.16Å; L385-G387 PolarHBondContact O-N 2.99Å; L385-F390 HydrophobicContact CB-CD1 4Å; L385-F390 HydrophobicContact CB-CE1 3.8Å; L385-F390 HydrophobicContact CD1-CE1 4.37Å; L385-F390 HydrophobicContact CG-CE1 4.47Å; L385-F390 WeakPolarHBondContact O-CB 3.47Å; L385-F390 VanDerWaalsContact O-CD1 3.29Å; L385-F390 WeakPolarHBondContact O-CD1 3.22Å; L385-F390 WeakPolarHBondContact O-CG 3.47Å
386L93.1Very high88.7Confident4 Ų443.1 Ų43.12%0.02122%0.218CC..  trans-59.6118.9178.517761000110.9R157 E165 P381 V382R157-L386 HydrophobicContact CB-CD1 3.79Å; R157-L386 HydrophobicContact CB-CD2 4.38Å; R157-L386 HydrophobicContact CB-CG 3.81Å; R157-L386 PolarHBondContact NH2-O 3.3Å; E165-L386 HydrophobicContact CG-CD1 4.36Å; E165-L386 HydrophobicContact CG-CD2 4.29Å; P381-L386 PolarHBondContact O-N 3.49Å; V382-L386 HydrophobicContact CG1-CD2 4.41Å
387G95.5Very high89.5Confident9 Ų939.9 Ų39.99%0.09320%0.202CC..BIsolated β-bridgetrans-175.7-170.5-177.400000111.2D156 R157 L385 D389 F390D156-G387 WeakPolarHBondContact CB-O 3.46Å; R157-G387 PolarHBondContact N-O 3.17Å; R157-G387 CarbonylContact O-C 3.58Å; R157-G387 WeakPolarHBondContact O-CA 3.35Å; L385-G387 PolarHBondContact O-N 2.99Å; G387-D389 PolarHBondContact O-N 3.3Å; G387-F390 PolarHBondContact N-O 3.11Å; G387-F390 PolarHBondContact O-N 3.09Å
388P96.9Very high90.1Very high82 Ų8247.1 Ų47.153%0.53224%0.241SC..THydrogen-bonded Turntrans-60.6131.1-178.2-23.433.6000111.1R157 F390R157-P388 VanDerWaalsContact O-CD 3.22Å; R157-P388 WeakPolarHBondContact O-CD 3.39Å; P388-F390 PolarHBondContact O-N 2.92Å
389D97.4Very high90.7Very high78 Ų7852.5 Ų52.542%0.41726%0.264SS..THydrogen-bonded Turntrans54.530.4-175.6-64.9-27.4000113.4D156 K363 F365 P366 G387D156-D389 PolarHBondContact OD2-N 3.4Å; K363-D389 WeakPolarHBondContact CE-OD1 3.32Å; K363-D389 IonicContact NZ-OD1 3.18Å; K363-D389 PolarHBondContact NZ-OD1 3.12Å; F365-D389 HydrophobicContact CB-CB 4.17Å; P366-D389 WeakPolarHBondContact CD-O 3.33Å; G387-D389 PolarHBondContact O-N 3.3Å
390F97.9Very high91.4Very high21 Ų2153.7 Ų53.79%0.09227%0.268CS..BIsolated β-bridgetrans-143.596.2174.5-150.5-73.8000111.1F355 P366 V368 L385 G387 P388F355-F390 HydrophobicContact CD1-CE1 4.37Å; F355-F390 AromaticContact CD1-CZ 3.79Å; F355-F390 HydrophobicContact CD1-CZ 3.79Å; F355-F390 HydrophobicContact CE1-CE1 4.13Å; F355-F390 AromaticContact CE1-CZ 3.57Å; F355-F390 HydrophobicContact CE1-CZ 3.57Å; P366-F390 HydrophobicContact CB-CD2 4.16Å; P366-F390 HydrophobicContact CB-CE2 3.92Å; P366-F390 HydrophobicContact CB-CZ 4.29Å; P366-F390 HydrophobicContact CG-CD2 4.42Å; P366-F390 HydrophobicContact CG-CE2 4.36Å; V368-F390 HydrophobicContact CB-CE1 4.11Å; L385-F390 HydrophobicContact CB-CD1 4Å; L385-F390 HydrophobicContact CB-CE1 3.8Å; L385-F390 HydrophobicContact CD1-CE1 4.37Å; L385-F390 HydrophobicContact CG-CE1 4.47Å; L385-F390 WeakPolarHBondContact O-CB 3.47Å; L385-F390 VanDerWaalsContact O-CD1 3.29Å; L385-F390 WeakPolarHBondContact O-CD1 3.22Å; L385-F390 WeakPolarHBondContact O-CG 3.47Å; G387-F390 PolarHBondContact N-O 3.11Å; G387-F390 PolarHBondContact O-N 3.09Å; P388-F390 PolarHBondContact O-N 2.92Å
391G98.1Very high91.9Very high0 Ų058 Ų580%030%0.297CS..EExtended strand (participates in β ladder)trans-77.8161.9-173.400000114.6C155 P366 V367 V368C155-G391 CarbonylContact O-C 3.59Å; C155-G391 VanDerWaalsContact O-CA 3.26Å; C155-G391 WeakPolarHBondContact O-CA 3.46Å; P366-G391 PolarHBondContact O-N 3.42Å; V367-G391 WeakPolarHBondContact CA-O 3.36Å; V368-G391 PolarHBondContact N-O 2.91Å
392Y98.3Very high92.8Very high24 Ų2460.8 Ų60.89%0.09431%0.314CS..EExtended strand (participates in β ladder)trans-131.4138.2177.1173.9-92.7000111.5C155 E165 V368 D370 P381 V382 T394C155-Y392 WeakPolarHBondContact CB-O 3.48Å; C155-Y392 PolarHBondContact O-N 3.46Å; E165-Y392 HydrophobicContact CG-CD1 4.2Å; V368-Y392 HydrophobicContact CG1-CD2 3.81Å; D370-Y392 HydrophobicContact CB-CD2 4.37Å; D370-Y392 HydrophobicContact CB-CE2 3.46Å; D370-Y392 VanDerWaalsContact CB-CE2 3.46Å; D370-Y392 VanDerWaalsContact OD2-CE2 3.28Å; D370-Y392 WeakPolarHBondContact OD2-CE2 3.49Å; D370-Y392 PolarHBondContact OD2-OH 2.77Å; P381-Y392 HydrophobicContact CB-CD2 3.97Å; P381-Y392 HydrophobicContact CB-CE2 3.85Å; P381-Y392 HydrophobicContact CG-CE2 4.11Å; V382-Y392 HydrophobicContact CG2-CD1 4.45Å; V382-Y392 HydrophobicContact CG2-CD2 3.94Å; V382-Y392 HydrophobicContact CG2-CE1 3.99Å; V382-Y392 HydrophobicContact CG2-CE2 3.42Å; V382-Y392 VanDerWaalsContact CG2-CE2 3.42Å; V382-Y392 HydrophobicContact CG2-CG 4.42Å; V382-Y392 VanDerWaalsContact CG2-CZ 3.45Å; Y392-T394 HydrophobicContact CE1-CG2 3.96Å; Y392-T394 WeakPolarHBondContact OH-CB 3.39Å; Y392-T394 WeakPolarHBondContact OH-CG2 3.36Å
393V98.2Very high93.6Very high6 Ų660.8 Ų60.84%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-147.1144.3170.763.40000110.2F257 V367 V368 L369 D370 F450F257-V393 HydrophobicContact CD2-CB 4.29Å; F257-V393 HydrophobicContact CD2-CG2 3.8Å; F257-V393 HydrophobicContact CE2-CB 3.99Å; F257-V393 HydrophobicContact CE2-CG1 4.37Å; F257-V393 HydrophobicContact CE2-CG2 4.02Å; V367-V393 HydrophobicContact CG1-CB 4.4Å; V367-V393 HydrophobicContact CG1-CG1 3.86Å; V368-V393 PolarHBondContact O-N 2.92Å; L369-V393 CarbonylContact C-O 3.57Å; L369-V393 WeakPolarHBondContact CA-O 3.26Å; L369-V393 HydrophobicContact CB-CG1 4.23Å; L369-V393 HydrophobicContact CD1-CG1 3.82Å; D370-V393 PolarHBondContact N-O 3.16Å; V393-F450 HydrophobicContact CG1-CZ 4.46Å; V393-F450 HydrophobicContact CG2-CE2 4.48Å; V393-F450 HydrophobicContact CG2-CZ 4.34Å
394T97.4Very high94.5Very high35 Ų3557.2 Ų57.222%0.21530%0.304CS..EExtended strand (participates in β ladder)trans-138.4164.3174.8-175.90000111D370 Y392 E396D370-T394 PolarHBondContact O-OG1 3.13Å; Y392-T394 HydrophobicContact CE1-CG2 3.96Å; Y392-T394 WeakPolarHBondContact OH-CB 3.39Å; Y392-T394 WeakPolarHBondContact OH-CG2 3.36Å; T394-E396 PolarHBondContact OG1-OE1 3.47Å
395R97.4Very high95.2Very high37 Ų3752.4 Ų52.414%0.1428%0.282CS..  trans-138111.2171.7-73.7-59.6-179.1-75.50.6111.1D259 V446 V447 F450D259-R395 IonicContact OD2-CZ 3.17Å; D259-R395 IonicContact OD2-NE 2.7Å; D259-R395 PolarHBondContact OD2-NE 3.1Å; D259-R395 IonicContact OD2-NH2 2.77Å; D259-R395 PolarHBondContact OD2-NH2 3.31Å; R395-V446 HydrophobicContact CB-CG1 4.18Å; R395-V446 HydrophobicContact CB-CG2 4.01Å; R395-V446 HydrophobicContact CG-CG2 4.38Å; R395-V447 HydrophobicContact CB-CG2 4.24Å; R395-F450 HydrophobicContact CG-CB 3.96Å; R395-F450 HydrophobicContact CG-CD2 4.36Å; R395-F450 HydrophobicContact CG-CG 4.03Å; R395-F450 VanDerWaalsContact CZ-CD2 3.43Å
396E94.1Very high95.6Very high91 Ų9151.7 Ų51.743%0.42528%0.278SS..  trans-96128.1179.1-66.6-57.6147.200111.9T394T394-E396 PolarHBondContact OG1-OE1 3.47Å
397P93.8Very high95.8Very high26 Ų2651.8 Ų51.817%0.16928%0.279CS..  trans-72131.1174.128.7-32.6000110.9P372 E400 V402 T444 V446P372-P397 HydrophobicContact CB-CG 4.47Å; P397-E400 HydrophobicContact CB-CB 4.18Å; P397-E400 WeakPolarHBondContact CB-O 3.29Å; P397-E400 WeakPolarHBondContact CG-O 3.44Å; P397-V402 HydrophobicContact CG-CG2 3.71Å; P397-T444 HydrophobicContact CB-CG2 4.12Å; P397-T444 HydrophobicContact CG-CG2 4.16Å; P397-V446 HydrophobicContact CB-CG1 4.1Å
398L89.9Confident95.9Very high154 Ų15451.4 Ų51.481%0.80627%0.274SS*.SBendtrans-73.1-35.6-179.5-67.5174.4000113.6
399F91.9Very high95.8Very high199 Ų19947.5 Ų47.587%0.87325%0.249SC*.SBendtrans-137.9-24-173.6-55.5-71.4000113.8
400E93.6Very high95.9Very high74 Ų7443.8 Ų43.835%0.34623%0.229SC..SBendtrans-76.8131.5-177.2-169.8172.2-16400109.7P397 T444 K445P397-E400 HydrophobicContact CB-CB 4.18Å; P397-E400 WeakPolarHBondContact CB-O 3.29Å; P397-E400 WeakPolarHBondContact CG-O 3.44Å; E400-T444 HydrophobicContact CB-CG2 4.24Å; E400-T444 HydrophobicContact CG-CG2 3.89Å; E400-T444 VanDerWaalsContact OE2-CA 3.31Å; E400-T444 WeakPolarHBondContact OE2-CA 3.3Å; E400-T444 WeakPolarHBondContact OE2-CB 3.46Å; E400-K445 PolarHBondContact OE2-N 3.36Å
401P93.3Very high95.9Very high101 Ų10142.8 Ų42.866%0.65623%0.225SC*.PPolyproline II helixtrans-70.9137176.929.4-33.9000110.6
402V94.8Very high95.9Very high59 Ų5943.5 Ų43.536%0.35823%0.228SC..PPolyproline II helixtrans-69.3138.1171.9179.40000109.5P372 P397 D406P372-V402 HydrophobicContact CB-CG2 4.03Å; P372-V402 WeakPolarHBondContact O-CG1 3.15Å; P372-V402 WeakPolarHBondContact O-CG2 3.43Å; P397-V402 HydrophobicContact CG-CG2 3.71Å; V402-D406 HydrophobicContact CG1-CB 3.77Å
403T95.2Very high96Very high43 Ų4342.5 Ų42.526%0.26423%0.225SC..  trans-123.7175.3177.673.70000111.1L405 D406T403-L405 PolarHBondContact O-N 3.03Å; T403-L405 VanDerWaalsContact O-N 3.12Å; T403-L405 PolarHBondContact OG1-N 3.01Å; T403-D406 PolarHBondContact N-OD2 3.13Å; T403-D406 WeakPolarHBondContact O-CB 3.49Å; T403-D406 PolarHBondContact O-N 3.5Å; T403-D406 PolarHBondContact OG1-OD2 3Å
404S95.9Very high96Very high42 Ų4242.2 Ų42.229%0.29422%0.223SC..G310 helixtrans-57.3-25.5173.1-1640000113.1D406 S407 V469 H471S404-D406 PolarHBondContact O-N 3.41Å; S404-S407 PolarHBondContact O-N 3.31Å; S404-S407 PolarHBondContact O-OG 3.37Å; S404-V469 WeakPolarHBondContact CB-O 3.4Å; S404-V469 PolarHBondContact OG-O 3.07Å; S404-H471 PolarHBondContact O-CD2 2.84Å; S404-H471 PolarHBondContact O-NE2 3.19Å
405L97.8Very high96.1Very high0 Ų040.6 Ų40.60%021%0.213CC..G310 helixtrans-74.1-7.3178.3-89.166.2000113.5T403 N410 R441 M443 G470T403-L405 PolarHBondContact O-N 3.03Å; T403-L405 VanDerWaalsContact O-N 3.12Å; T403-L405 PolarHBondContact OG1-N 3.01Å; L405-N410 PolarHBondContact O-ND2 2.83Å; L405-R441 HydrophobicContact CD1-CB 3.88Å; L405-R441 HydrophobicContact CD2-CB 3.91Å; L405-R441 HydrophobicContact CG-CB 4.42Å; L405-M443 VanDerWaalsContact O-CE 3.25Å; L405-M443 WeakPolarHBondContact O-CE 3.35Å; L405-G470 WeakPolarHBondContact CD1-O 3.37Å; L405-G470 WeakPolarHBondContact CG-O 3.43Å
406D97.5Very high96.1Very high1 Ų141.1 Ų41.11%0.00522%0.221CC..G310 helixtrans-88.7-13175.8-66.2-77.6000113.2S371 P372 V402 T403 S404 T444S371-D406 PolarHBondContact OG-O 2.69Å; P372-D406 HydrophobicContact CG-CB 4.19Å; V402-D406 HydrophobicContact CG1-CB 3.77Å; T403-D406 PolarHBondContact N-OD2 3.13Å; T403-D406 WeakPolarHBondContact O-CB 3.49Å; T403-D406 PolarHBondContact O-N 3.5Å; T403-D406 PolarHBondContact OG1-OD2 3Å; S404-D406 PolarHBondContact O-N 3.41Å; D406-T444 VanDerWaalsContact OD1-CB 3.3Å; D406-T444 WeakPolarHBondContact OD1-CB 3.41Å; D406-T444 VanDerWaalsContact OD1-CG2 3.24Å; D406-T444 WeakPolarHBondContact OD1-CG2 3.47Å; D406-T444 PolarHBondContact OD1-N 3.27Å; D406-T444 PolarHBondContact OD1-OG1 3.44Å
407S96.4Very high96.3Very high6 Ų637.3 Ų37.34%0.04220%0.204CC..SBendtrans-64.2146.4169-57.50000110.8D351 R373 S404 G409 N410 H471D351-S407 WeakPolarHBondContact O-CA 3.44Å; R373-S407 WeakPolarHBondContact CD-OG 3.49Å; S404-S407 PolarHBondContact O-N 3.31Å; S404-S407 PolarHBondContact O-OG 3.37Å; S407-G409 PolarHBondContact O-N 3.44Å; S407-N410 WeakPolarHBondContact O-CB 3.34Å; S407-N410 PolarHBondContact O-N 2.64Å; S407-H471 VanDerWaalsContact CB-CE1 3.47Å; S407-H471 WeakPolarHBondContact CB-CE1 3.49Å; S407-H471 WeakPolarHBondContact CB-NE2 3.44Å
408F97.6Very high96.6Very high0 Ų039.9 Ų39.90%022%0.22CC..G310 helixtrans-82.8-1.6-175.6-65.8-19.8000116.5Q350 D351 E354 L369 S371 N410 L411 V447Q350-F408 CarbonylContact O-C 3.53Å; Q350-F408 WeakPolarHBondContact O-CB 3.38Å; D351-F408 PolarHBondContact O-N 3.02Å; E354-F408 HydrophobicContact CB-CB 4.26Å; E354-F408 HydrophobicContact CB-CD2 3.59Å; E354-F408 HydrophobicContact CB-CE2 4.17Å; E354-F408 HydrophobicContact CB-CG 4.12Å; L369-F408 HydrophobicContact CB-CE2 4.17Å; L369-F408 HydrophobicContact CD2-CE1 4.41Å; L369-F408 HydrophobicContact CD2-CE2 3.9Å; L369-F408 HydrophobicContact CD2-CZ 3.63Å; L369-F408 HydrophobicContact CG-CE2 3.62Å; L369-F408 HydrophobicContact CG-CZ 3.65Å; L369-F408 WeakPolarHBondContact O-CE2 3.41Å; S371-F408 VanDerWaalsContact CA-CZ 3.45Å; S371-F408 VanDerWaalsContact N-CE2 3.34Å; F408-N410 PolarHBondContact O-N 2.74Å; F408-N410 VanDerWaalsContact O-N 3.15Å; F408-L411 HydrophobicContact CB-CB 4.19Å; F408-L411 HydrophobicContact CD1-CB 3.87Å; F408-L411 HydrophobicContact CD1-CD2 3.68Å; F408-L411 HydrophobicContact CD1-CG 4.43Å; F408-L411 HydrophobicContact CE1-CD2 3.83Å; F408-L411 HydrophobicContact CG-CB 4.26Å; F408-L411 HydrophobicContact CG-CD2 4.04Å; F408-L411 HydrophobicContact CZ-CD2 4.3Å; F408-L411 PolarHBondContact O-N 3.14Å; F408-V447 HydrophobicContact CE1-CG1 4.24Å
409G95.8Very high97Very high0 Ų033.2 Ų33.20%019%0.185CC..G310 helixtrans-57.8-21.5153.500000112.9Q350 S407 D473Q350-G409 PolarHBondContact O-N 3.17Å; S407-G409 PolarHBondContact O-N 3.44Å; G409-D473 WeakPolarHBondContact O-CB 3.27Å; G409-D473 PolarHBondContact O-N 3.15Å
410N98.6Very high97.2Very high0 Ų031.6 Ų31.60%019%0.186CC..G310 helixtrans-92.310.2173.2-162.343000114.3L405 S407 F408 I431 G432 G470 H471 V472L405-N410 PolarHBondContact O-ND2 2.83Å; S407-N410 WeakPolarHBondContact O-CB 3.34Å; S407-N410 PolarHBondContact O-N 2.64Å; F408-N410 PolarHBondContact O-N 2.74Å; F408-N410 VanDerWaalsContact O-N 3.15Å; N410-I431 WeakPolarHBondContact O-CA 3.46Å; N410-G432 PolarHBondContact ND2-N 3.04Å; N410-G432 PolarHBondContact ND2-O 2.87Å; N410-G432 PolarHBondContact O-N 3.04Å; N410-G432 WeakPolarHBondContact OD1-CA 3Å; N410-G432 PolarHBondContact OD1-N 2.89Å; N410-G470 PolarHBondContact OD1-O 3.12Å; N410-H471 HydrophobicContact CB-CB 4.28Å; N410-H471 WeakPolarHBondContact OD1-CA 3.46Å; N410-V472 PolarHBondContact OD1-N 2.74Å
411L98.8Very high97.4Very high0 Ų031.5 Ų31.50%021%0.205CC..EExtended strand (participates in β ladder)trans-127.8102.8-179.9175.858.2000109.9W297 M299 E354 L369 F408 I429 I431 M443 L451W297-L411 HydrophobicContact CH2-CD2 4.49Å; M299-L411 HydrophobicContact CE-CD1 4.36Å; M299-L411 HydrophobicContact CE-CG 3.93Å; M299-L411 HydrophobicContact SD-CD1 3.74Å; M299-L411 HydrophobicContact SD-CD2 4.18Å; M299-L411 HydrophobicContact SD-CG 3.78Å; E354-L411 HydrophobicContact CB-CD2 4.27Å; E354-L411 HydrophobicContact CG-CD2 4.14Å; E354-L411 HydrophobicContact CG-CG 4.46Å; L369-L411 HydrophobicContact CD2-CD2 4.03Å; F408-L411 HydrophobicContact CB-CB 4.19Å; F408-L411 HydrophobicContact CD1-CB 3.87Å; F408-L411 HydrophobicContact CD1-CD2 3.68Å; F408-L411 HydrophobicContact CD1-CG 4.43Å; F408-L411 HydrophobicContact CE1-CD2 3.83Å; F408-L411 HydrophobicContact CG-CB 4.26Å; F408-L411 HydrophobicContact CG-CD2 4.04Å; F408-L411 HydrophobicContact CZ-CD2 4.3Å; F408-L411 PolarHBondContact O-N 3.14Å; L411-I429 HydrophobicContact CD1-CG2 3.65Å; L411-I431 HydrophobicContact CD1-CG2 3.46Å; L411-I431 VanDerWaalsContact CD1-CG2 3.46Å; L411-M443 HydrophobicContact CB-CE 4.38Å; L411-L451 HydrophobicContact CD1-CD1 3.57Å; L411-L451 HydrophobicContact CD1-CD2 4.22Å; L411-L451 HydrophobicContact CD2-CD1 4.33Å; L411-L451 HydrophobicContact CD2-CD2 4.24Å
412E98.8Very high97.6Very high16 Ų1630.3 Ų30.38%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-124.2174.1-177.9-71.1-64.4147.100111.1I429 L430 V472 H646E412-I429 CarbonylContact O-C 3.52Å; E412-I429 WeakPolarHBondContact O-CA 3.49Å; E412-L430 HydrophobicContact CB-CB 4.37Å; E412-L430 PolarHBondContact N-O 3.41Å; E412-L430 PolarHBondContact O-N 3.14Å; E412-V472 HydrophobicContact CB-CG2 4.01Å; E412-V472 HydrophobicContact CG-CG2 3.64Å; E412-H646 IonicContact OE1-CE1 3.68Å; E412-H646 PolarHBondContact OE1-CE1 3.27Å; E412-H646 IonicContact OE1-NE2 3.69Å
413V98.9Very high97.8Very high3 Ų331.2 Ų31.22%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-141.9137.2174.765.20000112.2M299 P301 I429M299-V413 HydrophobicContact CB-CB 3.96Å; M299-V413 HydrophobicContact CB-CG1 3.66Å; M299-V413 HydrophobicContact CB-CG2 4.34Å; M299-V413 HydrophobicContact CE-CB 4.16Å; M299-V413 HydrophobicContact CE-CG1 4.12Å; M299-V413 HydrophobicContact SD-CB 4.43Å; P301-V413 HydrophobicContact CB-CG1 3.93Å; P301-V413 WeakPolarHBondContact CB-O 3.28Å; V413-I429 HydrophobicContact CB-CG1 4.46Å; V413-I429 HydrophobicContact CG2-CG1 4.27Å
414S98.9Very high98Very high0 Ų030.4 Ų30.40%019%0.187CC..PPolyproline II helixtrans-71.7158.3176.884.40000111.8P301 G427 R428P301-S414 WeakPolarHBondContact CB-O 3.26Å; S414-G427 WeakPolarHBondContact O-CA 3.26Å; S414-R428 PolarHBondContact N-O 3.39Å; S414-R428 PolarHBondContact OG-N 2.93Å
415P98.8Very high98.1Very high0 Ų029.3 Ų29.30%018%0.179CC..PPolyproline II helixtrans-59.6167.1160.2-26.439.2000112.3I303 V417 G427 F478 F487I303-P415 HydrophobicContact CB-CG 4.5Å; I303-P415 HydrophobicContact CD1-CB 3.83Å; I303-P415 HydrophobicContact CG1-CB 3.92Å; I303-P415 HydrophobicContact CG1-CG 4.11Å; I303-P415 HydrophobicContact CG2-CB 4.08Å; I303-P415 HydrophobicContact CG2-CG 3.6Å; P415-V417 PolarHBondContact O-N 3.25Å; P415-G427 WeakPolarHBondContact O-CA 2.95Å; P415-F478 VanDerWaalsContact CD-CG 3.5Å; P415-F478 HydrophobicContact CG-CB 3.99Å; P415-F478 HydrophobicContact CG-CD1 4.04Å; P415-F478 HydrophobicContact CG-CG 3.96Å; P415-F487 HydrophobicContact CB-CB 4.42Å; P415-F487 HydrophobicContact CB-CD1 3.46Å; P415-F487 VanDerWaalsContact CB-CD1 3.46Å; P415-F487 HydrophobicContact CB-CD2 4.15Å; P415-F487 HydrophobicContact CB-CE1 3.59Å; P415-F487 HydrophobicContact CB-CE2 4.26Å; P415-F487 HydrophobicContact CB-CG 3.75Å; P415-F487 HydrophobicContact CB-CZ 3.99Å; P415-F487 HydrophobicContact CG-CB 4.08Å; P415-F487 HydrophobicContact CG-CD1 3.88Å; P415-F487 HydrophobicContact CG-CD2 3.66Å; P415-F487 HydrophobicContact CG-CE1 4.19Å; P415-F487 HydrophobicContact CG-CE2 3.98Å; P415-F487 HydrophobicContact CG-CG 3.6Å; P415-F487 HydrophobicContact CG-CZ 4.22Å
416P98.8Very high98.2Very high49 Ų4929.3 Ų29.332%0.31818%0.179SC..PPolyproline II helixtrans-57.7132.6173.2-26.636.6000112.6Y424 P425 F656P416-Y424 WeakPolarHBondContact CA-O 3.47Å; P416-P425 WeakPolarHBondContact CB-O 3.33Å; P416-P425 VanDerWaalsContact CG-O 3.27Å; P416-P425 WeakPolarHBondContact CG-O 3.45Å; P416-F656 HydrophobicContact CG-CD1 4.32Å; P416-F656 HydrophobicContact CG-CE1 3.59Å; P416-F656 HydrophobicContact CG-CZ 4.38Å
417V98.6Very high98.2Very high10 Ų1029.2 Ų29.26%0.06118%0.179CC..EExtended strand (participates in β ladder)trans-137162.3-174.9-71.20000112.1P415 V419 Y424 R428 F487 L559P415-V417 PolarHBondContact O-N 3.25Å; V417-V419 HydrophobicContact CG2-CG2 4.15Å; V417-Y424 HydrophobicContact CG2-CD2 4.38Å; V417-Y424 PolarHBondContact N-O 3.32Å; V417-Y424 PolarHBondContact O-N 3.28Å; V417-R428 HydrophobicContact CG2-CG 4.39Å; V417-F487 HydrophobicContact CG1-CE1 4.08Å; V417-F487 HydrophobicContact CG1-CZ 3.67Å; V417-L559 WeakPolarHBondContact CB-O 3.46Å; V417-L559 HydrophobicContact CG1-CB 4.29Å; V417-L559 WeakPolarHBondContact CG1-O 3.47Å; V417-L559 HydrophobicContact CG2-CD2 4.22Å
418T98.5Very high98.3Very high81 Ų8130 Ų3050%0.49718%0.18SC..EExtended strand (participates in β ladder)trans-126.9124.4169.7-59.20000108.9K422T418-K422 CarbonylContact C-O 3.08Å; T418-K422 WeakPolarHBondContact CA-O 3.33Å
419V98.3Very high98.4Very high13 Ų1330 Ų308%0.07918%0.181CC..EExtended strand (participates in β ladder)trans-125.6115.8-171.7-170.90000108.4V417 G421 K422 Y424 K557 E558V417-V419 HydrophobicContact CG2-CG2 4.15Å; V419-G421 PolarHBondContact O-N 3.37Å; V419-G421 VanDerWaalsContact O-N 3.11Å; V419-K422 PolarHBondContact N-O 2.89Å; V419-K422 PolarHBondContact O-N 2.99Å; V419-Y424 HydrophobicContact CB-CE2 4.32Å; V419-Y424 HydrophobicContact CG2-CD2 4.25Å; V419-Y424 HydrophobicContact CG2-CE2 4.27Å; V419-K557 WeakPolarHBondContact CG1-O 3.48Å; V419-E558 WeakPolarHBondContact CG2-O 3.14Å
420N97.2Very high98.6Very high166 Ų16630 Ų3089%0.88818%0.181SC*.THydrogen-bonded Turntrans50.138.3-179.7-57.8-36.2000113.5K422N420-K422 VanDerWaalsContact C-N 3.34Å; N420-K422 PolarHBondContact O-N 3.09Å
421G97.2Very high98.6Very high72 Ų7230.2 Ų30.274%0.74218%0.182SC*.THydrogen-bonded Turntrans84.8-6-178.600000115.7V419V419-G421 PolarHBondContact O-N 3.37Å; V419-G421 VanDerWaalsContact O-N 3.11Å
422K98.2Very high98.6Very high75 Ų7530.3 Ų30.333%0.32618%0.182SC..EExtended strand (participates in β ladder)trans-93120.4172-178.7166.7175121.90110.7T418 V419 N420 Y424 P665T418-K422 CarbonylContact C-O 3.08Å; T418-K422 WeakPolarHBondContact CA-O 3.33Å; V419-K422 PolarHBondContact N-O 2.89Å; V419-K422 PolarHBondContact O-N 2.99Å; N420-K422 VanDerWaalsContact C-N 3.34Å; N420-K422 PolarHBondContact O-N 3.09Å; K422-Y424 HydrophobicContact CB-CE2 4.29Å; K422-Y424 HydrophobicContact CD-CE1 4.44Å; K422-Y424 HydrophobicContact CD-CE2 4.12Å; K422-Y424 WeakPolarHBondContact CD-OH 3.4Å; K422-Y424 WeakPolarHBondContact CE-OH 3.31Å; K422-Y424 HydrophobicContact CG-CD2 4.47Å; K422-Y424 HydrophobicContact CG-CE2 3.84Å; K422-P665 WeakPolarHBondContact CE-OXT 3.44Å; K422-P665 PolarHBondContact NZ-O 3.08Å; K422-P665 PolarHBondContact NZ-OXT 3.1Å
423T98.4Very high98.5Very high78 Ų7829.8 Ų29.848%0.47918%0.18SC..EExtended strand (participates in β ladder)trans-87.6131.8178.2-51.90000110.9P425T423-P425 HydrophobicContact CG2-CB 4.48Å; T423-P425 WeakPolarHBondContact O-CD 3.44Å
424Y98.8Very high98.5Very high26 Ų2630.5 Ų30.510%0.10219%0.186CC..EExtended strand (participates in β ladder)trans-111.483.7170.2-64.6-88.6000108.1P416 V417 V419 K422 L426 G427 R428 A458 M663P416-Y424 WeakPolarHBondContact CA-O 3.47Å; V417-Y424 HydrophobicContact CG2-CD2 4.38Å; V417-Y424 PolarHBondContact N-O 3.32Å; V417-Y424 PolarHBondContact O-N 3.28Å; V419-Y424 HydrophobicContact CB-CE2 4.32Å; V419-Y424 HydrophobicContact CG2-CD2 4.25Å; V419-Y424 HydrophobicContact CG2-CE2 4.27Å; K422-Y424 HydrophobicContact CB-CE2 4.29Å; K422-Y424 HydrophobicContact CD-CE1 4.44Å; K422-Y424 HydrophobicContact CD-CE2 4.12Å; K422-Y424 WeakPolarHBondContact CD-OH 3.4Å; K422-Y424 WeakPolarHBondContact CE-OH 3.31Å; K422-Y424 HydrophobicContact CG-CD2 4.47Å; K422-Y424 HydrophobicContact CG-CE2 3.84Å; Y424-L426 PolarHBondContact O-N 3.15Å; Y424-G427 PolarHBondContact O-N 2.97Å; Y424-G427 VanDerWaalsContact O-N 3.1Å; Y424-R428 HydrophobicContact CD1-CG 3.79Å; Y424-R428 HydrophobicContact CD2-CG 4.26Å; Y424-R428 HydrophobicContact CE1-CG 4.33Å; Y424-R428 HydrophobicContact CG-CG 3.74Å; Y424-A458 HydrophobicContact CD1-CB 4.19Å; Y424-A458 HydrophobicContact CE1-CB 3.66Å; Y424-M663 HydrophobicContact CD1-CE 3.93Å
425P98.7Very high98.3Very high19 Ų1933.9 Ų33.912%0.12320%0.2CC..THydrogen-bonded Turntrans-69.8-14.9-169.829.2-35.6000113.8P416 T423 F658 M663P416-P425 WeakPolarHBondContact CB-O 3.33Å; P416-P425 VanDerWaalsContact CG-O 3.27Å; P416-P425 WeakPolarHBondContact CG-O 3.45Å; T423-P425 HydrophobicContact CG2-CB 4.48Å; T423-P425 WeakPolarHBondContact O-CD 3.44Å; P425-F658 HydrophobicContact CB-CD1 3.73Å; P425-F658 HydrophobicContact CB-CD2 3.96Å; P425-F658 HydrophobicContact CB-CE1 3.81Å; P425-F658 HydrophobicContact CB-CE2 4.02Å; P425-F658 HydrophobicContact CB-CG 3.81Å; P425-F658 HydrophobicContact CB-CZ 3.94Å; P425-F658 HydrophobicContact CG-CD1 3.72Å; P425-F658 HydrophobicContact CG-CE1 3.34Å; P425-F658 HydrophobicContact CG-CE2 4.19Å; P425-F658 HydrophobicContact CG-CG 4.3Å; P425-F658 HydrophobicContact CG-CZ 3.6Å; P425-M663 HydrophobicContact CG-CB 4.34Å; P425-M663 HydrophobicContact CG-CG 4.06Å; P425-M663 HydrophobicContact CG-SD 4.03Å
426L98.8Very high97.6Very high0 Ų040.1 Ų40.10%024%0.241CC..THydrogen-bonded Turntrans-108.110.9177.4-57.2175.9000112.3I298 Y424 V456 Q457 F656 F658 W660I298-L426 HydrophobicContact CD1-CD1 4.18Å; I298-L426 HydrophobicContact CG2-CD1 4.36Å; Y424-L426 PolarHBondContact O-N 3.15Å; L426-V456 HydrophobicContact CD1-CB 3.95Å; L426-V456 HydrophobicContact CD1-CG2 4.03Å; L426-Q457 HydrophobicContact CB-CG 3.95Å; L426-Q457 PolarHBondContact O-NE2 2.81Å; L426-F656 HydrophobicContact CB-CD2 4.31Å; L426-F656 HydrophobicContact CB-CE2 4.13Å; L426-F656 HydrophobicContact CD2-CB 3.6Å; L426-F656 HydrophobicContact CD2-CD1 4.31Å; L426-F656 HydrophobicContact CD2-CD2 3.5Å; L426-F656 HydrophobicContact CD2-CE2 4.17Å; L426-F656 HydrophobicContact CD2-CG 3.56Å; L426-F656 HydrophobicContact CG-CD2 4.5Å; L426-F656 WeakPolarHBondContact O-CE2 3.39Å; L426-F656 WeakPolarHBondContact O-CZ 3.2Å; L426-F658 HydrophobicContact CD2-CB 4.41Å; L426-F658 HydrophobicContact CD2-CD1 4.02Å; L426-F658 HydrophobicContact CG-CD1 4.3Å; L426-W660 HydrophobicContact CD1-CB 3.75Å
427G98.8Very high97.3Very high0 Ų046.2 Ų46.20%027%0.27CS..  trans75.3-170.1-173.600000113.6S414 P415 Y424S414-G427 WeakPolarHBondContact O-CA 3.26Å; P415-G427 WeakPolarHBondContact O-CA 2.95Å; Y424-G427 PolarHBondContact O-N 2.97Å; Y424-G427 VanDerWaalsContact O-N 3.1Å
428R98.9Very high96.9Very high21 Ų2148.9 Ų48.98%0.07929%0.289CS..  trans-129.8131177.3-60.3-171.270.1-173.21110.3S414 V417 Y424 Q457 A458 E558 L559S414-R428 PolarHBondContact N-O 3.39Å; S414-R428 PolarHBondContact OG-N 2.93Å; V417-R428 HydrophobicContact CG2-CG 4.39Å; Y424-R428 HydrophobicContact CD1-CG 3.79Å; Y424-R428 HydrophobicContact CD2-CG 4.26Å; Y424-R428 HydrophobicContact CE1-CG 4.33Å; Y424-R428 HydrophobicContact CG-CG 3.74Å; R428-Q457 CarbonylContact C-O 3.56Å; R428-Q457 WeakPolarHBondContact CA-O 3.44Å; R428-A458 PolarHBondContact NE-O 2.94Å; R428-A458 VanDerWaalsContact NE-O 3.08Å; R428-A458 PolarHBondContact NH2-O 3.5Å; R428-E558 IonicContact CZ-OE2 2.83Å; R428-E558 PolarHBondContact NH1-O 2.97Å; R428-E558 IonicContact NH1-OE2 3.14Å; R428-E558 PolarHBondContact NH1-OE2 3.11Å; R428-E558 IonicContact NH2-OE2 3.12Å; R428-L559 HydrophobicContact CB-CD2 4.02Å; R428-L559 HydrophobicContact CG-CD2 4.31Å
429I98.9Very high96.5Very high1 Ų149 Ų491%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-63.4141174.4-74.9163.5000109.2M299 L411 E412 V413 I431 L451 Q457 P459 V460M299-I429 HydrophobicContact CG-CG1 4.48Å; M299-I429 HydrophobicContact SD-CD1 4.13Å; M299-I429 HydrophobicContact SD-CG1 3.81Å; L411-I429 HydrophobicContact CD1-CG2 3.65Å; E412-I429 CarbonylContact O-C 3.52Å; E412-I429 WeakPolarHBondContact O-CA 3.49Å; V413-I429 HydrophobicContact CB-CG1 4.46Å; V413-I429 HydrophobicContact CG2-CG1 4.27Å; I429-I431 HydrophobicContact CG2-CG2 4.04Å; I429-L451 HydrophobicContact CD1-CD2 4.22Å; I429-L451 HydrophobicContact CG2-CD1 4.45Å; I429-Q457 HydrophobicContact CD1-CB 3.77Å; I429-Q457 HydrophobicContact CG1-CB 3.75Å; I429-Q457 PolarHBondContact N-O 3.42Å; I429-P459 HydrophobicContact CB-CB 4.01Å; I429-P459 HydrophobicContact CB-CG 4.01Å; I429-P459 HydrophobicContact CD1-CG 4.31Å; I429-P459 HydrophobicContact CG2-CB 3.93Å; I429-P459 HydrophobicContact CG2-CG 4.13Å; I429-P459 CarbonylContact O-C 3.53Å; I429-P459 WeakPolarHBondContact O-CA 3.44Å; I429-V460 PolarHBondContact O-N 2.84Å
430L98.9Very high96.3Very high0 Ų049.8 Ų49.80%032%0.317CS..EExtended strand (participates in β ladder)trans-124.1120.5180-56.4177.3000108.4E412 V460 L462 M476 F478 L555 L559E412-L430 HydrophobicContact CB-CB 4.37Å; E412-L430 PolarHBondContact N-O 3.41Å; E412-L430 PolarHBondContact O-N 3.14Å; L430-V460 WeakPolarHBondContact CA-O 3.48Å; L430-V460 HydrophobicContact CD2-CB 4Å; L430-L462 HydrophobicContact CB-CD1 4.12Å; L430-L462 HydrophobicContact CD1-CD1 4.46Å; L430-M476 HydrophobicContact CD1-CE 4.27Å; L430-M476 HydrophobicContact CD1-SD 3.72Å; L430-F478 HydrophobicContact CD1-CE2 3.73Å; L430-F478 HydrophobicContact CD1-CZ 4.01Å; L430-L555 HydrophobicContact CD1-CD2 3.99Å; L430-L555 HydrophobicContact CD2-CD2 4.19Å; L430-L559 HydrophobicContact CD2-CD2 4.5Å
431I98.8Very high96.3Very high5 Ų544 Ų443%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-127.6139.2177.753.9170.3000110.6N410 L411 I429 M443 R448 L451 V460 E461 L462N410-I431 WeakPolarHBondContact O-CA 3.46Å; L411-I431 HydrophobicContact CD1-CG2 3.46Å; L411-I431 VanDerWaalsContact CD1-CG2 3.46Å; I429-I431 HydrophobicContact CG2-CG2 4.04Å; I431-M443 HydrophobicContact CB-CE 4.49Å; I431-M443 HydrophobicContact CD1-SD 4.46Å; I431-M443 HydrophobicContact CG2-CE 4.08Å; I431-M443 HydrophobicContact CG2-SD 4.14Å; I431-R448 HydrophobicContact CD1-CG 3.74Å; I431-L451 HydrophobicContact CG2-CD1 4.12Å; I431-V460 PolarHBondContact N-O 2.98Å; I431-E461 HydrophobicContact CD1-CG 3.9Å; I431-E461 HydrophobicContact CG1-CG 3.88Å; I431-E461 CarbonylContact O-C 3.54Å; I431-E461 VanDerWaalsContact O-CA 3.31Å; I431-E461 WeakPolarHBondContact O-CA 3.27Å; I431-L462 PolarHBondContact O-N 2.99Å
432G98.6Very high96.3Very high1 Ų145.5 Ų45.51%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-81.6143.7177.400000113N410 S464N410-G432 PolarHBondContact ND2-N 3.04Å; N410-G432 PolarHBondContact ND2-O 2.87Å; N410-G432 PolarHBondContact O-N 3.04Å; N410-G432 WeakPolarHBondContact OD1-CA 3Å; N410-G432 PolarHBondContact OD1-N 2.89Å; G432-S464 VanDerWaalsContact C-OG 3.29Å; G432-S464 WeakPolarHBondContact CA-OG 3.27Å
433S98.4Very high96.3Very high5 Ų541.9 Ų41.94%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-145-174.9-176.7-1690000110.7R442 L462 S464 D465S433-R442 WeakPolarHBondContact OG-CG 3.29Å; S433-L462 WeakPolarHBondContact CA-O 3.09Å; S433-L462 WeakPolarHBondContact CB-O 3.34Å; S433-L462 PolarHBondContact N-O 3.01Å; S433-S464 PolarHBondContact N-OG 2.92Å; S433-S464 PolarHBondContact O-N 3.28Å; S433-D465 PolarHBondContact O-N 2.92Å; S433-D465 VanDerWaalsContact O-N 3.12Å
434S97.4Very high96.3Very high19 Ų1938.2 Ų38.213%0.13323%0.228CC..  trans-107168.6169.957.70000111.2S438 G440 R441 D465S434-S438 WeakPolarHBondContact CB-OG 3.42Å; S434-G440 VanDerWaalsContact OG-C 3.27Å; S434-G440 WeakPolarHBondContact OG-CA 3.12Å; S434-G440 PolarHBondContact OG-O 3.2Å; S434-R441 WeakPolarHBondContact CB-O 3.41Å; S434-R441 PolarHBondContact N-O 2.93Å; S434-R441 PolarHBondContact OG-O 3.25Å; S434-D465 WeakPolarHBondContact CB-OD2 3.46Å
435F94.8Very high96.3Very high70 Ų7041.5 Ų41.531%0.30724%0.243SC..  trans-64.9143.7175-67.6-51.4000110.8L437 S438 Y463 W550F435-L437 PolarHBondContact O-N 2.9Å; F435-S438 PolarHBondContact N-OG 2.91Å; F435-S438 PolarHBondContact O-N 3.37Å; F435-S438 PolarHBondContact O-OG 3.48Å; F435-Y463 HydrophobicContact CD1-CD2 4.43Å; F435-Y463 HydrophobicContact CD1-CG 4.44Å; F435-Y463 HydrophobicContact CD2-CD2 4.47Å; F435-Y463 HydrophobicContact CD2-CE1 4.31Å; F435-Y463 HydrophobicContact CD2-CE2 4.02Å; F435-Y463 AromaticContact CD2-CZ 3.9Å; F435-Y463 AromaticContact CE1-CD1 3.85Å; F435-Y463 HydrophobicContact CE1-CD1 3.85Å; F435-Y463 HydrophobicContact CE1-CD2 4.25Å; F435-Y463 HydrophobicContact CE1-CE1 4.23Å; F435-Y463 AromaticContact CE1-CG 3.85Å; F435-Y463 HydrophobicContact CE1-CG 3.85Å; F435-Y463 AromaticContact CE2-CD1 3.88Å; F435-Y463 HydrophobicContact CE2-CD1 3.88Å; F435-Y463 HydrophobicContact CE2-CD2 4.32Å; F435-Y463 AromaticContact CE2-CE1 3.38Å; F435-Y463 HydrophobicContact CE2-CE1 3.38Å; F435-Y463 AromaticContact CE2-CE2 3.9Å; F435-Y463 HydrophobicContact CE2-CE2 3.9Å; F435-Y463 HydrophobicContact CE2-CG 4.31Å; F435-Y463 AromaticContact CE2-CZ 3.38Å; F435-Y463 HydrophobicContact CG-CE2 4.45Å; F435-Y463 AromaticContact CZ-CD1 3.34Å; F435-Y463 HydrophobicContact CZ-CD1 3.34Å; F435-Y463 HydrophobicContact CZ-CD2 4.2Å; F435-Y463 AromaticContact CZ-CE1 3.33Å; F435-Y463 HydrophobicContact CZ-CE1 3.33Å; F435-Y463 HydrophobicContact CZ-CE2 4.22Å; F435-Y463 AromaticContact CZ-CG 3.79Å; F435-Y463 HydrophobicContact CZ-CG 3.79Å; F435-Y463 AromaticContact CZ-CZ 3.79Å; F435-W550 HydrophobicContact CD1-CZ2 4.23Å; F435-W550 AromaticContact CE1-CD2 3.82Å; F435-W550 HydrophobicContact CE1-CD2 3.82Å; F435-W550 AromaticContact CE1-CE2 3.57Å; F435-W550 HydrophobicContact CE1-CE3 4.25Å; F435-W550 HydrophobicContact CE1-CG 4.29Å; F435-W550 HydrophobicContact CE1-CH2 4.23Å; F435-W550 AromaticContact CE1-CZ2 3.8Å; F435-W550 HydrophobicContact CE1-CZ2 3.8Å; F435-W550 HydrophobicContact CE1-CZ3 4.44Å; F435-W550 AromaticContact CE1-NE1 3.85Å; F435-W550 HydrophobicContact CZ-CD2 4.38Å; F435-W550 HydrophobicContact CZ-CG 4.44Å
436P85.3Confident96.3Very high131 Ų13142.5 Ų42.585%0.85125%0.248SC*.THydrogen-bonded Turntrans-54.3-29.1-174.4-29.535.2000115.6
437L91.9Very high96.3Very high177 Ų17742.6 Ų42.693%0.92725%0.249SC*.THydrogen-bonded Turntrans-103.54.3-177.6-58.9179.1000113.9F435F435-L437 PolarHBondContact O-N 2.9Å
438S89.9Confident96.3Very high66 Ų6644.6 Ų44.646%0.46226%0.256SS..THydrogen-bonded Turntrans-85.5-17.5-174.868.80000114.1S434 F435 G440S434-S438 WeakPolarHBondContact CB-OG 3.42Å; F435-S438 PolarHBondContact N-OG 2.91Å; F435-S438 PolarHBondContact O-N 3.37Å; F435-S438 PolarHBondContact O-OG 3.48Å; S438-G440 PolarHBondContact O-N 3.26Å; S438-G440 PolarHBondContact OG-N 3.38Å
439G89.5Confident96.3Very high83 Ų8344.4 Ų44.486%0.85626%0.257SS*.THydrogen-bonded Turntrans61.526.2-169.800000112.9
440G94.5Very high96.3Very high30 Ų3044.4 Ų44.431%0.30926%0.257SS..  trans-80.2-173.4-17700000113.3S434 S438 D465S434-G440 VanDerWaalsContact OG-C 3.27Å; S434-G440 WeakPolarHBondContact OG-CA 3.12Å; S434-G440 PolarHBondContact OG-O 3.2Å; S438-G440 PolarHBondContact O-N 3.26Å; S438-G440 PolarHBondContact OG-N 3.38Å; G440-D465 WeakPolarHBondContact CA-OD2 3.42Å
441R97.3Very high96.2Very high46 Ų4644.5 Ų44.517%0.17426%0.257CS..  trans-68.4154176.4-65.3173-65.3171.85.4110.4L405 S434 D465 L467 T468 V469L405-R441 HydrophobicContact CD1-CB 3.88Å; L405-R441 HydrophobicContact CD2-CB 3.91Å; L405-R441 HydrophobicContact CG-CB 4.42Å; S434-R441 WeakPolarHBondContact CB-O 3.41Å; S434-R441 PolarHBondContact N-O 2.93Å; S434-R441 PolarHBondContact OG-O 3.25Å; R441-D465 IonicContact CZ-OD1 3.28Å; R441-D465 PolarHBondContact N-OD2 2.95Å; R441-D465 IonicContact NE-OD1 2.86Å; R441-D465 PolarHBondContact NE-OD1 2.85Å; R441-D465 IonicContact NH2-OD1 2.84Å; R441-D465 PolarHBondContact NH2-OD1 3.26Å; R441-L467 PolarHBondContact NH2-O 3.01Å; R441-T468 PolarHBondContact NH1-O 3.28Å; R441-V469 PolarHBondContact NH1-O 3.15Å
442R97.9Very high96.2Very high102 Ų10251 Ų5139%0.38529%0.285SS..  trans-154.1145.6172.9-170.7169.8-174.1-1745.7108.4S433 E461S433-R442 WeakPolarHBondContact OG-CG 3.29Å; R442-E461 IonicContact CZ-OE1 3.15Å; R442-E461 IonicContact CZ-OE2 2.74Å; R442-E461 IonicContact NE-OE1 3.8Å; R442-E461 PolarHBondContact NE-OE1 3.33Å; R442-E461 IonicContact NE-OE2 3.81Å; R442-E461 IonicContact NH2-OE1 3.54Å; R442-E461 PolarHBondContact NH2-OE1 3.27Å; R442-E461 IonicContact NH2-OE2 2.69Å; R442-E461 PolarHBondContact NH2-OE2 3Å
443M98.4Very high96.3Very high0 Ų051.8 Ų51.80%029%0.292CS..  trans-53.2141.5169.5-178.4177.4-77.700109.8L405 L411 I431 V447 R448 L451L405-M443 VanDerWaalsContact O-CE 3.25Å; L405-M443 WeakPolarHBondContact O-CE 3.35Å; L411-M443 HydrophobicContact CB-CE 4.38Å; I431-M443 HydrophobicContact CB-CE 4.49Å; I431-M443 HydrophobicContact CD1-SD 4.46Å; I431-M443 HydrophobicContact CG2-CE 4.08Å; I431-M443 HydrophobicContact CG2-SD 4.14Å; M443-V447 HydrophobicContact CG-CB 4.12Å; M443-V447 HydrophobicContact CG-CG1 4.27Å; M443-V447 HydrophobicContact SD-CB 4.08Å; M443-V447 HydrophobicContact SD-CG1 3.61Å; M443-R448 HydrophobicContact CB-CG 4.1Å; M443-R448 HydrophobicContact CG-CG 4.13Å; M443-R448 PolarHBondContact O-NE 2.77Å; M443-R448 PolarHBondContact O-NH2 2.93Å; M443-R448 HydrophobicContact SD-CG 4.24Å; M443-L451 HydrophobicContact SD-CD1 4.27Å
444T98.1Very high96.3Very high0 Ų051.8 Ų51.80%029%0.291CS..  trans-55.2147.2-178.353.30000111.9P397 E400 D406 V446 V447 R448P397-T444 HydrophobicContact CB-CG2 4.12Å; P397-T444 HydrophobicContact CG-CG2 4.16Å; E400-T444 HydrophobicContact CB-CG2 4.24Å; E400-T444 HydrophobicContact CG-CG2 3.89Å; E400-T444 VanDerWaalsContact OE2-CA 3.31Å; E400-T444 WeakPolarHBondContact OE2-CA 3.3Å; E400-T444 WeakPolarHBondContact OE2-CB 3.46Å; D406-T444 VanDerWaalsContact OD1-CB 3.3Å; D406-T444 WeakPolarHBondContact OD1-CB 3.41Å; D406-T444 VanDerWaalsContact OD1-CG2 3.24Å; D406-T444 WeakPolarHBondContact OD1-CG2 3.47Å; D406-T444 PolarHBondContact OD1-N 3.27Å; D406-T444 PolarHBondContact OD1-OG1 3.44Å; T444-V446 VanDerWaalsContact C-N 3.27Å; T444-V446 PolarHBondContact O-N 3.05Å; T444-V447 PolarHBondContact O-N 2.81Å; T444-R448 PolarHBondContact O-N 2.97Å; T444-R448 VanDerWaalsContact O-N 3.16Å
445K98.3Very high96.3Very high96 Ų9654.4 Ų54.442%0.41730%0.302SS..Hα-helixtrans-58.9-39.3-178.3175.8169.5166.657.70111.8E260 E400 V447 R448 D449E260-K445 IonicContact OE1-NZ 3.83Å; E400-K445 PolarHBondContact OE2-N 3.36Å; K445-V447 VanDerWaalsContact C-N 3.34Å; K445-V447 PolarHBondContact O-N 2.99Å; K445-R448 VanDerWaalsContact CA-NH2 3.3Å; K445-R448 PolarHBondContact O-N 2.91Å; K445-D449 WeakPolarHBondContact CE-OD2 3.46Å; K445-D449 WeakPolarHBondContact CG-OD2 3.39Å; K445-D449 IonicContact NZ-OD1 2.7Å; K445-D449 PolarHBondContact NZ-OD1 3.19Å; K445-D449 IonicContact NZ-OD2 3.34Å; K445-D449 PolarHBondContact NZ-OD2 3.31Å; K445-D449 VanDerWaalsContact O-CB 3.28Å; K445-D449 WeakPolarHBondContact O-CB 3.23Å; K445-D449 PolarHBondContact O-N 2.95Å
446V98.4Very high96.5Very high39 Ų3951 Ų5124%0.23629%0.287CS..Hα-helixtrans-62-40.1-176.670.70000112.3R395 P397 T444 F450R395-V446 HydrophobicContact CB-CG1 4.18Å; R395-V446 HydrophobicContact CB-CG2 4.01Å; R395-V446 HydrophobicContact CG-CG2 4.38Å; P397-V446 HydrophobicContact CB-CG1 4.1Å; T444-V446 VanDerWaalsContact C-N 3.27Å; T444-V446 PolarHBondContact O-N 3.05Å; V446-F450 WeakPolarHBondContact O-CB 3.49Å; V446-F450 PolarHBondContact O-N 3.06Å; V446-F450 VanDerWaalsContact O-N 3.13Å
447V98.6Very high97.2Very high3 Ų344.9 Ų44.92%0.01825%0.247CC..Hα-helixtrans-73.2-44.9176.7-178.20000110.3P372 R395 F408 M443 T444 K445 D449 F450 L451P372-V447 HydrophobicContact CG-CG2 3.92Å; R395-V447 HydrophobicContact CB-CG2 4.24Å; F408-V447 HydrophobicContact CE1-CG1 4.24Å; M443-V447 HydrophobicContact CG-CB 4.12Å; M443-V447 HydrophobicContact CG-CG1 4.27Å; M443-V447 HydrophobicContact SD-CB 4.08Å; M443-V447 HydrophobicContact SD-CG1 3.61Å; T444-V447 PolarHBondContact O-N 2.81Å; K445-V447 VanDerWaalsContact C-N 3.34Å; K445-V447 PolarHBondContact O-N 2.99Å; V447-D449 VanDerWaalsContact C-N 3.34Å; V447-D449 PolarHBondContact O-N 2.86Å; V447-F450 WeakPolarHBondContact O-CB 3.32Å; V447-F450 PolarHBondContact O-N 3.44Å; V447-L451 HydrophobicContact CG1-CD1 4.02Å; V447-L451 HydrophobicContact CG1-CG 4.34Å; V447-L451 VanDerWaalsContact O-CG 3.28Å; V447-L451 WeakPolarHBondContact O-CG 3.36Å; V447-L451 PolarHBondContact O-N 2.97Å
448R98.7Very high97.5Very high41 Ų4137.5 Ų37.516%0.15521%0.211CC..Hα-helixtrans-59.6-43.3177.8-73.6-171.1-72.8103.31.3112.9I431 M443 T444 K445 L451 K452 E461I431-R448 HydrophobicContact CD1-CG 3.74Å; M443-R448 HydrophobicContact CB-CG 4.1Å; M443-R448 HydrophobicContact CG-CG 4.13Å; M443-R448 PolarHBondContact O-NE 2.77Å; M443-R448 PolarHBondContact O-NH2 2.93Å; M443-R448 HydrophobicContact SD-CG 4.24Å; T444-R448 PolarHBondContact O-N 2.97Å; T444-R448 VanDerWaalsContact O-N 3.16Å; K445-R448 VanDerWaalsContact CA-NH2 3.3Å; K445-R448 PolarHBondContact O-N 2.91Å; R448-L451 PolarHBondContact O-N 2.78Å; R448-K452 WeakPolarHBondContact O-CB 3.47Å; R448-K452 PolarHBondContact O-N 2.69Å; R448-E461 VanDerWaalsContact CD-OE1 3.3Å; R448-E461 WeakPolarHBondContact CD-OE1 3.31Å
449D98.8Very high97.9Very high18 Ų1836.1 Ų36.110%0.09620%0.201CC..Hα-helixtrans-66.4-43.5178.8-71.8-10.9000110.8E260 K445 V447 L451 K452 A453E260-D449 HydrophobicContact CB-CB 4.06Å; K445-D449 WeakPolarHBondContact CE-OD2 3.46Å; K445-D449 WeakPolarHBondContact CG-OD2 3.39Å; K445-D449 IonicContact NZ-OD1 2.7Å; K445-D449 PolarHBondContact NZ-OD1 3.19Å; K445-D449 IonicContact NZ-OD2 3.34Å; K445-D449 PolarHBondContact NZ-OD2 3.31Å; K445-D449 VanDerWaalsContact O-CB 3.28Å; K445-D449 WeakPolarHBondContact O-CB 3.23Å; K445-D449 PolarHBondContact O-N 2.95Å; V447-D449 VanDerWaalsContact C-N 3.34Å; V447-D449 PolarHBondContact O-N 2.86Å; D449-L451 PolarHBondContact O-N 2.74Å; D449-K452 PolarHBondContact O-N 2.84Å; D449-A453 VanDerWaalsContact O-CB 3.29Å; D449-A453 WeakPolarHBondContact O-CB 3.46Å; D449-A453 PolarHBondContact O-N 2.9Å
450F98.9Very high98.3Very high0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-55.6-52.3173.5171.6-103.6000111.5F257 W297 L369 V393 R395 V446 V447 K452 A453 Q454F257-F450 HydrophobicContact CB-CE2 3.73Å; F257-F450 HydrophobicContact CG-CE2 4.16Å; W297-F450 HydrophobicContact CB-CZ 4.05Å; W297-F450 HydrophobicContact CD2-CE1 4.49Å; W297-F450 HydrophobicContact CE3-CE1 4.25Å; W297-F450 HydrophobicContact CG-CZ 4.43Å; L369-F450 HydrophobicContact CD1-CD1 4.3Å; L369-F450 HydrophobicContact CD1-CE1 3.81Å; L369-F450 HydrophobicContact CD1-CZ 4.45Å; L369-F450 HydrophobicContact CD2-CD1 4.46Å; L369-F450 HydrophobicContact CD2-CE1 4.12Å; V393-F450 HydrophobicContact CG1-CZ 4.46Å; V393-F450 HydrophobicContact CG2-CE2 4.48Å; V393-F450 HydrophobicContact CG2-CZ 4.34Å; R395-F450 HydrophobicContact CG-CB 3.96Å; R395-F450 HydrophobicContact CG-CD2 4.36Å; R395-F450 HydrophobicContact CG-CG 4.03Å; R395-F450 VanDerWaalsContact CZ-CD2 3.43Å; V446-F450 WeakPolarHBondContact O-CB 3.49Å; V446-F450 PolarHBondContact O-N 3.06Å; V446-F450 VanDerWaalsContact O-N 3.13Å; V447-F450 WeakPolarHBondContact O-CB 3.32Å; V447-F450 PolarHBondContact O-N 3.44Å; F450-K452 VanDerWaalsContact C-N 3.31Å; F450-K452 PolarHBondContact O-N 2.9Å; F450-A453 PolarHBondContact O-N 3.47Å; F450-A453 VanDerWaalsContact O-N 3.16Å; F450-Q454 WeakPolarHBondContact O-CG 3.18Å; F450-Q454 PolarHBondContact O-N 3.31Å; F450-Q454 PolarHBondContact O-NE2 3.47Å
451L98.9Very high98.5Very high2 Ų234.7 Ų34.71%0.0116%0.164CC..Hα-helixtrans-60.8-40.1179.9-64171.1000111.9W297 L369 L411 I429 I431 M443 V447 R448 D449 Q454 P459W297-L451 HydrophobicContact CE3-CD2 4.27Å; W297-L451 HydrophobicContact CZ3-CD2 3.68Å; L369-L451 HydrophobicContact CD2-CD2 4.28Å; L411-L451 HydrophobicContact CD1-CD1 3.57Å; L411-L451 HydrophobicContact CD1-CD2 4.22Å; L411-L451 HydrophobicContact CD2-CD1 4.33Å; L411-L451 HydrophobicContact CD2-CD2 4.24Å; I429-L451 HydrophobicContact CD1-CD2 4.22Å; I429-L451 HydrophobicContact CG2-CD1 4.45Å; I431-L451 HydrophobicContact CG2-CD1 4.12Å; M443-L451 HydrophobicContact SD-CD1 4.27Å; V447-L451 HydrophobicContact CG1-CD1 4.02Å; V447-L451 HydrophobicContact CG1-CG 4.34Å; V447-L451 VanDerWaalsContact O-CG 3.28Å; V447-L451 WeakPolarHBondContact O-CG 3.36Å; V447-L451 PolarHBondContact O-N 2.97Å; R448-L451 PolarHBondContact O-N 2.78Å; D449-L451 PolarHBondContact O-N 2.74Å; L451-Q454 PolarHBondContact O-N 2.62Å; L451-P459 HydrophobicContact CB-CG 4.06Å
452K98.8Very high98.6Very high141 Ų14132.7 Ų32.761%0.61316%0.157SC*.Hα-helixtrans-66.9-39.1176.5-176.7-175174.3-167.40112.1R448 D449 F450 Q454 Q455R448-K452 WeakPolarHBondContact O-CB 3.47Å; R448-K452 PolarHBondContact O-N 2.69Å; D449-K452 PolarHBondContact O-N 2.84Å; F450-K452 VanDerWaalsContact C-N 3.31Å; F450-K452 PolarHBondContact O-N 2.9Å; K452-Q454 PolarHBondContact O-N 2.81Å; K452-Q455 PolarHBondContact O-N 2.79Å; K452-Q455 VanDerWaalsContact O-N 3.1Å
453A98.8Very high98.7Very high18 Ų1828.8 Ų28.815%0.14914%0.143CC..Hα-helixtrans-66.5-19.4-178.300000113.4P258 D449 F450 Q455P258-A453 HydrophobicContact CB-CB 4.49Å; P258-A453 WeakPolarHBondContact CB-O 3.45Å; D449-A453 VanDerWaalsContact O-CB 3.29Å; D449-A453 WeakPolarHBondContact O-CB 3.46Å; D449-A453 PolarHBondContact O-N 2.9Å; F450-A453 PolarHBondContact O-N 3.47Å; F450-A453 VanDerWaalsContact O-N 3.16Å; A453-Q455 PolarHBondContact O-N 2.77Å
454Q98.8Very high98.7Very high5 Ų528.8 Ų28.82%0.02314%0.143CC..THydrogen-bonded Turntrans-68.5-21.9173.6-53.9-37.3-64.100112.8P258 P296 W297 F450 L451 K452 V456P258-Q454 PolarHBondContact O-NE2 3.14Å; P296-Q454 VanDerWaalsContact CA-OE1 3.29Å; P296-Q454 HydrophobicContact CB-CB 3.96Å; P296-Q454 WeakPolarHBondContact CB-O 3.41Å; W297-Q454 HydrophobicContact CB-CG 4.45Å; F450-Q454 WeakPolarHBondContact O-CG 3.18Å; F450-Q454 PolarHBondContact O-N 3.31Å; F450-Q454 PolarHBondContact O-NE2 3.47Å; L451-Q454 PolarHBondContact O-N 2.62Å; K452-Q454 PolarHBondContact O-N 2.81Å; Q454-V456 PolarHBondContact O-N 3.01Å
455Q98.7Very high98.7Very high74 Ų7429.3 Ų29.335%0.34615%0.146SC..  trans64.4-45.2177.3-57.2179.714.900116.1K452 A453 Q457 A458 P665K452-Q455 PolarHBondContact O-N 2.79Å; K452-Q455 VanDerWaalsContact O-N 3.1Å; A453-Q455 PolarHBondContact O-N 2.77Å; Q455-Q457 VanDerWaalsContact C-N 3.27Å; Q455-Q457 PolarHBondContact O-N 3.08Å; Q455-A458 PolarHBondContact O-N 2.99Å; Q455-A458 VanDerWaalsContact O-N 3.12Å; Q455-P665 HydrophobicContact CB-CB 4.21Å
456V98.7Very high98.7Very high0 Ų024.9 Ų24.90%013%0.126CC..THydrogen-bonded Turntrans-72.5-13.6-162.7-61.40000115.2W142 P296 I298 L426 Q454 W660 M663W142-V456 HydrophobicContact CH2-CG1 3.83Å; W142-V456 HydrophobicContact CZ3-CG1 3.93Å; P296-V456 HydrophobicContact CB-CG2 4.2Å; P296-V456 HydrophobicContact CG-CG1 4.05Å; P296-V456 HydrophobicContact CG-CG2 3.83Å; I298-V456 HydrophobicContact CD1-CG2 4.29Å; I298-V456 HydrophobicContact CG1-CG2 3.96Å; L426-V456 HydrophobicContact CD1-CB 3.95Å; L426-V456 HydrophobicContact CD1-CG2 4.03Å; Q454-V456 PolarHBondContact O-N 3.01Å; V456-W660 HydrophobicContact CG1-CB 4.41Å; V456-W660 HydrophobicContact CG1-CE3 4.24Å; V456-M663 HydrophobicContact CB-SD 4.29Å; V456-M663 VanDerWaalsContact O-SD 3.38Å
457Q98.8Very high98.7Very high1 Ų123 Ų231%0.00512%0.115CC..THydrogen-bonded Turntrans-121.916.4173.6-66.8177.1-54.400113.1I298 M299 L426 R428 I429 Q455 P459I298-Q457 HydrophobicContact CG2-CG 4.43Å; M299-Q457 PolarHBondContact O-NE2 2.87Å; L426-Q457 HydrophobicContact CB-CG 3.95Å; L426-Q457 PolarHBondContact O-NE2 2.81Å; R428-Q457 CarbonylContact C-O 3.56Å; R428-Q457 WeakPolarHBondContact CA-O 3.44Å; I429-Q457 HydrophobicContact CD1-CB 3.77Å; I429-Q457 HydrophobicContact CG1-CB 3.75Å; I429-Q457 PolarHBondContact N-O 3.42Å; Q455-Q457 VanDerWaalsContact C-N 3.27Å; Q455-Q457 PolarHBondContact O-N 3.08Å; Q457-P459 VanDerWaalsContact O-N 3.13Å
458A98.4Very high98.6Very high22 Ų2224.6 Ų24.618%0.18212%0.124CC..  trans20.777.7167.200000116.4Y424 R428 Q455Y424-A458 HydrophobicContact CD1-CB 4.19Å; Y424-A458 HydrophobicContact CE1-CB 3.66Å; R428-A458 PolarHBondContact NE-O 2.94Å; R428-A458 VanDerWaalsContact NE-O 3.08Å; R428-A458 PolarHBondContact NH2-O 3.5Å; Q455-A458 PolarHBondContact O-N 2.99Å; Q455-A458 VanDerWaalsContact O-N 3.12Å
459P98.8Very high98.5Very high37 Ų3723.9 Ų23.924%0.2413%0.125CC..  trans-55.2149.4-168.7-26.132.6000115.3I429 L451 Q457I429-P459 HydrophobicContact CB-CB 4.01Å; I429-P459 HydrophobicContact CB-CG 4.01Å; I429-P459 HydrophobicContact CD1-CG 4.31Å; I429-P459 HydrophobicContact CG2-CB 3.93Å; I429-P459 HydrophobicContact CG2-CG 4.13Å; I429-P459 CarbonylContact O-C 3.53Å; I429-P459 WeakPolarHBondContact O-CA 3.44Å; L451-P459 HydrophobicContact CB-CG 4.06Å; Q457-P459 VanDerWaalsContact O-N 3.13Å
460V98.9Very high98.4Very high11 Ų1123 Ų237%0.06712%0.12CC..EExtended strand (participates in β ladder)trans-122.7130.7174.6-179.60000109.1I429 L430 I431 L462 I554 E558I429-V460 PolarHBondContact O-N 2.84Å; L430-V460 WeakPolarHBondContact CA-O 3.48Å; L430-V460 HydrophobicContact CD2-CB 4Å; I431-V460 PolarHBondContact N-O 2.98Å; V460-L462 HydrophobicContact CG1-CD2 4.35Å; V460-I554 HydrophobicContact CG1-CG2 4.07Å; V460-E558 HydrophobicContact CG1-CB 4.03Å; V460-E558 HydrophobicContact CG1-CG 3.93Å; V460-E558 HydrophobicContact CG2-CB 4.01Å; V460-E558 HydrophobicContact CG2-CG 4.43Å
461E98.8Very high98.4Very high72 Ų7223.1 Ų23.134%0.33612%0.121SC..EExtended strand (participates in β ladder)trans-87.5127.1173.3-69-176.3142.500110.8I431 R442 R448I431-E461 HydrophobicContact CD1-CG 3.9Å; I431-E461 HydrophobicContact CG1-CG 3.88Å; I431-E461 CarbonylContact O-C 3.54Å; I431-E461 VanDerWaalsContact O-CA 3.31Å; I431-E461 WeakPolarHBondContact O-CA 3.27Å; R442-E461 IonicContact CZ-OE1 3.15Å; R442-E461 IonicContact CZ-OE2 2.74Å; R442-E461 IonicContact NE-OE1 3.8Å; R442-E461 PolarHBondContact NE-OE1 3.33Å; R442-E461 IonicContact NE-OE2 3.81Å; R442-E461 IonicContact NH2-OE1 3.54Å; R442-E461 PolarHBondContact NH2-OE1 3.27Å; R442-E461 IonicContact NH2-OE2 2.69Å; R442-E461 PolarHBondContact NH2-OE2 3Å; R448-E461 VanDerWaalsContact CD-OE1 3.3Å; R448-E461 WeakPolarHBondContact CD-OE1 3.31Å
462L98.8Very high98.4Very high4 Ų423 Ų232%0.02112%0.12CC..EExtended strand (participates in β ladder)trans-101.4170.1173.3-61.5-174.3000110.4L430 I431 S433 V460 V472 F475 M476 N551 I554 L555L430-L462 HydrophobicContact CB-CD1 4.12Å; L430-L462 HydrophobicContact CD1-CD1 4.46Å; I431-L462 PolarHBondContact O-N 2.99Å; S433-L462 WeakPolarHBondContact CA-O 3.09Å; S433-L462 WeakPolarHBondContact CB-O 3.34Å; S433-L462 PolarHBondContact N-O 3.01Å; V460-L462 HydrophobicContact CG1-CD2 4.35Å; L462-V472 HydrophobicContact CB-CG1 4.05Å; L462-V472 HydrophobicContact CD1-CB 4.46Å; L462-V472 HydrophobicContact CD1-CG1 3.96Å; L462-F475 HydrophobicContact CB-CZ 4.38Å; L462-F475 HydrophobicContact CD1-CZ 4.15Å; L462-M476 HydrophobicContact CD1-SD 4.19Å; L462-N551 WeakPolarHBondContact CB-OD1 3.44Å; L462-I554 HydrophobicContact CD2-CB 4.44Å; L462-I554 HydrophobicContact CD2-CG2 3.79Å; L462-L555 HydrophobicContact CD1-CD2 4.05Å; L462-L555 HydrophobicContact CD1-CG 4.47Å; L462-L555 HydrophobicContact CD2-CD2 3.98Å; L462-L555 HydrophobicContact CD2-CG 4.04Å
463Y98.8Very high98.3Very high20 Ų2016.4 Ų16.48%0.0789%0.091CC..EExtended strand (participates in β ladder)trans-98.8102.1175.8176.3-136.5000110.5F435 D465 W466 C547 W550 N551F435-Y463 HydrophobicContact CD1-CD2 4.43Å; F435-Y463 HydrophobicContact CD1-CG 4.44Å; F435-Y463 HydrophobicContact CD2-CD2 4.47Å; F435-Y463 HydrophobicContact CD2-CE1 4.31Å; F435-Y463 HydrophobicContact CD2-CE2 4.02Å; F435-Y463 AromaticContact CD2-CZ 3.9Å; F435-Y463 AromaticContact CE1-CD1 3.85Å; F435-Y463 HydrophobicContact CE1-CD1 3.85Å; F435-Y463 HydrophobicContact CE1-CD2 4.25Å; F435-Y463 HydrophobicContact CE1-CE1 4.23Å; F435-Y463 AromaticContact CE1-CG 3.85Å; F435-Y463 HydrophobicContact CE1-CG 3.85Å; F435-Y463 AromaticContact CE2-CD1 3.88Å; F435-Y463 HydrophobicContact CE2-CD1 3.88Å; F435-Y463 HydrophobicContact CE2-CD2 4.32Å; F435-Y463 AromaticContact CE2-CE1 3.38Å; F435-Y463 HydrophobicContact CE2-CE1 3.38Å; F435-Y463 AromaticContact CE2-CE2 3.9Å; F435-Y463 HydrophobicContact CE2-CE2 3.9Å; F435-Y463 HydrophobicContact CE2-CG 4.31Å; F435-Y463 AromaticContact CE2-CZ 3.38Å; F435-Y463 HydrophobicContact CG-CE2 4.45Å; F435-Y463 AromaticContact CZ-CD1 3.34Å; F435-Y463 HydrophobicContact CZ-CD1 3.34Å; F435-Y463 HydrophobicContact CZ-CD2 4.2Å; F435-Y463 AromaticContact CZ-CE1 3.33Å; F435-Y463 HydrophobicContact CZ-CE1 3.33Å; F435-Y463 HydrophobicContact CZ-CE2 4.22Å; F435-Y463 AromaticContact CZ-CG 3.79Å; F435-Y463 HydrophobicContact CZ-CG 3.79Å; F435-Y463 AromaticContact CZ-CZ 3.79Å; Y463-D465 HydrophobicContact CE2-CB 4.14Å; Y463-W466 AromaticContact CD1-CD1 3.59Å; Y463-W466 HydrophobicContact CD1-CG 4.38Å; Y463-W466 HydrophobicContact CE1-CB 3.83Å; Y463-W466 AromaticContact CE1-CD1 3.63Å; Y463-W466 AromaticContact CE1-CG 4Å; Y463-W466 HydrophobicContact CE1-CG 4Å; Y463-W466 HydrophobicContact CE2-CB 4.37Å; Y463-W466 AromaticContact CG-CD1 3.96Å; Y463-W466 PolarHBondContact O-NE1 2.81Å; Y463-C547 HydrophobicContact CD1-CB 4.24Å; Y463-C547 HydrophobicContact CE1-CB 4.02Å; Y463-W550 VanDerWaalsContact CB-CZ3 3.45Å; Y463-W550 HydrophobicContact CG-CE3 4.47Å; Y463-N551 PolarHBondContact N-OD1 3Å; Y463-N551 PolarHBondContact O-ND2 3.47Å
464S98.6Very high98.3Very high0 Ų016.1 Ų16.10%09%0.087CC..  trans-113.1-15.6178.169.80000113.2G432 S433 W466 L467 G470G432-S464 VanDerWaalsContact C-OG 3.29Å; G432-S464 WeakPolarHBondContact CA-OG 3.27Å; S433-S464 PolarHBondContact N-OG 2.92Å; S433-S464 PolarHBondContact O-N 3.28Å; S464-W466 PolarHBondContact O-N 2.99Å; S464-L467 WeakPolarHBondContact O-CB 3.06Å; S464-L467 PolarHBondContact O-N 3.5Å; S464-G470 WeakPolarHBondContact CB-O 3.32Å; S464-G470 WeakPolarHBondContact O-CA 3.48Å; S464-G470 PolarHBondContact OG-O 3.32Å
465D98.4Very high98.3Very high12 Ų1215.9 Ų15.96%0.0649%0.086CC..THydrogen-bonded Turntrans-66.2-5.3-174.5-166.429.1000114.6S433 S434 G440 R441 Y463 L467 R580S433-D465 PolarHBondContact O-N 2.92Å; S433-D465 VanDerWaalsContact O-N 3.12Å; S434-D465 WeakPolarHBondContact CB-OD2 3.46Å; G440-D465 WeakPolarHBondContact CA-OD2 3.42Å; R441-D465 IonicContact CZ-OD1 3.28Å; R441-D465 PolarHBondContact N-OD2 2.95Å; R441-D465 IonicContact NE-OD1 2.86Å; R441-D465 PolarHBondContact NE-OD1 2.85Å; R441-D465 IonicContact NH2-OD1 2.84Å; R441-D465 PolarHBondContact NH2-OD1 3.26Å; Y463-D465 HydrophobicContact CE2-CB 4.14Å; D465-L467 VanDerWaalsContact C-N 3.3Å; D465-R580 WeakPolarHBondContact O-CD 3.26Å; D465-R580 PolarHBondContact O-NE 3.23Å; D465-R580 IonicContact OD1-CZ 3.12Å; D465-R580 IonicContact OD1-NE 2.67Å; D465-R580 PolarHBondContact OD1-NE 3.17Å; D465-R580 IonicContact OD1-NH2 3.29Å; D465-R580 PolarHBondContact OD1-NH2 2.92Å; D465-R580 IonicContact OD2-NH2 2.64Å
466W98.5Very high98.3Very high2 Ų212.5 Ų12.51%0.0087%0.07CC..THydrogen-bonded Turntrans-74.8-15.3167.566.4-84.6000113.5Y463 S464 F475 F544 C547 L548 F573 R580 A581Y463-W466 AromaticContact CD1-CD1 3.59Å; Y463-W466 HydrophobicContact CD1-CG 4.38Å; Y463-W466 HydrophobicContact CE1-CB 3.83Å; Y463-W466 AromaticContact CE1-CD1 3.63Å; Y463-W466 AromaticContact CE1-CG 4Å; Y463-W466 HydrophobicContact CE1-CG 4Å; Y463-W466 HydrophobicContact CE2-CB 4.37Å; Y463-W466 AromaticContact CG-CD1 3.96Å; Y463-W466 PolarHBondContact O-NE1 2.81Å; S464-W466 PolarHBondContact O-N 2.99Å; W466-F475 HydrophobicContact CZ2-CB 4.09Å; W466-F475 HydrophobicContact CZ2-CD1 4.13Å; W466-F475 HydrophobicContact CZ2-CG 4.19Å; W466-F544 HydrophobicContact CE3-CB 4.3Å; W466-F544 AromaticContact CE3-CD1 3.67Å; W466-F544 HydrophobicContact CE3-CD1 3.67Å; W466-F544 HydrophobicContact CE3-CE1 4.36Å; W466-F544 HydrophobicContact CE3-CG 4.23Å; W466-F544 HydrophobicContact CZ3-CB 3.93Å; W466-F544 HydrophobicContact CZ3-CD1 4.01Å; W466-F544 HydrophobicContact CZ3-CG 4.1Å; W466-C547 HydrophobicContact CB-CB 4.2Å; W466-C547 HydrophobicContact CD2-CB 3.6Å; W466-C547 HydrophobicContact CE3-CB 4.2Å; W466-C547 HydrophobicContact CG-CB 3.58Å; W466-L548 HydrophobicContact CH2-CD2 3.89Å; W466-L548 HydrophobicContact CH2-CG 4.06Å; W466-L548 HydrophobicContact CZ2-CD2 3.74Å; W466-L548 HydrophobicContact CZ2-CG 4.1Å; W466-F573 HydrophobicContact CH2-CE1 4.4Å; W466-F573 HydrophobicContact CH2-CE2 4.24Å; W466-F573 HydrophobicContact CH2-CZ 4.07Å; W466-F573 HydrophobicContact CZ3-CD2 4.49Å; W466-F573 HydrophobicContact CZ3-CE2 4.47Å; W466-F573 HydrophobicContact CZ3-CZ 4.49Å; W466-R580 CarbonylContact O-C 3.5Å; W466-R580 WeakPolarHBondContact O-CA 3.29Å; W466-R580 WeakPolarHBondContact O-CB 3.46Å; W466-A581 HydrophobicContact CE3-CB 3.58Å; W466-A581 HydrophobicContact CZ3-CB 3.48Å; W466-A581 VanDerWaalsContact CZ3-CB 3.48Å; W466-A581 PolarHBondContact O-N 3.48Å
467L98.4Very high98.3Very high0 Ų012.8 Ų12.80%07%0.072CC..BIsolated β-bridgetrans-92.4143.9173.7-71.3154000110.4R441 S464 D465 V469 G470 H471 E474 F475 F573 R580 A581R441-L467 PolarHBondContact NH2-O 3.01Å; S464-L467 WeakPolarHBondContact O-CB 3.06Å; S464-L467 PolarHBondContact O-N 3.5Å; D465-L467 VanDerWaalsContact C-N 3.3Å; L467-V469 VanDerWaalsContact C-N 3.35Å; L467-V469 PolarHBondContact O-N 3.48Å; L467-G470 PolarHBondContact O-N 3.23Å; L467-H471 WeakPolarHBondContact CD1-O 3.19Å; L467-E474 HydrophobicContact CD1-CB 3.78Å; L467-E474 HydrophobicContact CD1-CG 4.44Å; L467-E474 HydrophobicContact CD2-CB 4.44Å; L467-F475 HydrophobicContact CD1-CD1 3.77Å; L467-F475 HydrophobicContact CD1-CE1 4.49Å; L467-F573 HydrophobicContact CD2-CD1 4.27Å; L467-F573 HydrophobicContact CD2-CE1 3.95Å; L467-R580 WeakPolarHBondContact O-CD 3.5Å; L467-A581 WeakPolarHBondContact CA-O 3.31Å; L467-A581 HydrophobicContact CD2-CB 3.87Å
468T96.8Very high98.3Very high36 Ų3612.9 Ų12.922%0.2217%0.073CC..SBendtrans-61.2-46.3-178.9-58.10000110.3R441 D576 A581R441-T468 PolarHBondContact NH1-O 3.28Å; T468-D576 WeakPolarHBondContact CB-OD2 3.46Å; T468-D576 VanDerWaalsContact CG2-OD2 3.29Å; T468-D576 WeakPolarHBondContact CG2-OD2 3.24Å; T468-D576 PolarHBondContact OG1-OD2 3.11Å; T468-A581 PolarHBondContact N-O 3Å; T468-A581 PolarHBondContact OG1-O 2.93Å
469V95.6Very high98.3Very high27 Ų2711.8 Ų11.816%0.1646%0.064CC..SBendtrans-74.8-49.6173.5178.70000109.4S404 R441 L467 H471 E474 L642S404-V469 WeakPolarHBondContact CB-O 3.4Å; S404-V469 PolarHBondContact OG-O 3.07Å; R441-V469 PolarHBondContact NH1-O 3.15Å; L467-V469 VanDerWaalsContact C-N 3.35Å; L467-V469 PolarHBondContact O-N 3.48Å; V469-H471 WeakPolarHBondContact CG1-CE1 3.11Å; V469-H471 WeakPolarHBondContact CG1-ND1 3.42Å; V469-E474 WeakPolarHBondContact CB-OE1 3.39Å; V469-L642 HydrophobicContact CG2-CB 3.93Å; V469-L642 WeakPolarHBondContact CG2-O 3.44Å
470G97.6Very high98.3Very high0 Ų011 Ų110%06%0.059CC..  trans9432.3167.600000113.1L405 N410 S464 L467 E474L405-G470 WeakPolarHBondContact CD1-O 3.37Å; L405-G470 WeakPolarHBondContact CG-O 3.43Å; N410-G470 PolarHBondContact OD1-O 3.12Å; S464-G470 WeakPolarHBondContact CB-O 3.32Å; S464-G470 WeakPolarHBondContact O-CA 3.48Å; S464-G470 PolarHBondContact OG-O 3.32Å; L467-G470 PolarHBondContact O-N 3.23Å; G470-E474 PolarHBondContact N-OE1 2.78Å
471H98.5Very high98.2Very high1 Ų112.1 Ų12.11%0.0056%0.064CC..  trans-104.2154.8-178-62.4175.7000111.2D351 S404 S407 N410 L467 V469 D473 E474D351-H471 IonicContact OD1-CE1 3.87Å; D351-H471 PolarHBondContact OD1-CE1 3.25Å; D351-H471 IonicContact OD1-ND1 2.81Å; D351-H471 IonicContact OD2-CE1 3.16Å; S404-H471 PolarHBondContact O-CD2 2.84Å; S404-H471 PolarHBondContact O-NE2 3.19Å; S407-H471 VanDerWaalsContact CB-CE1 3.47Å; S407-H471 WeakPolarHBondContact CB-CE1 3.49Å; S407-H471 WeakPolarHBondContact CB-NE2 3.44Å; N410-H471 HydrophobicContact CB-CB 4.28Å; N410-H471 WeakPolarHBondContact OD1-CA 3.46Å; L467-H471 WeakPolarHBondContact CD1-O 3.19Å; V469-H471 WeakPolarHBondContact CG1-CE1 3.11Å; V469-H471 WeakPolarHBondContact CG1-ND1 3.42Å; H471-D473 WeakPolarHBondContact CB-OD1 3.45Å; H471-E474 HydrophobicContact CB-CG 4.11Å; H471-E474 PolarHBondContact N-OE1 2.92Å
472V98.6Very high98.1Very high0 Ų010.7 Ų10.70%06%0.061CC..SBendtrans-80.9-30.3179.8-68.80000112.1N410 E412 L462 E474 F475 M476N410-V472 PolarHBondContact OD1-N 2.74Å; E412-V472 HydrophobicContact CB-CG2 4.01Å; E412-V472 HydrophobicContact CG-CG2 3.64Å; L462-V472 HydrophobicContact CB-CG1 4.05Å; L462-V472 HydrophobicContact CD1-CB 4.46Å; L462-V472 HydrophobicContact CD1-CG1 3.96Å; V472-E474 PolarHBondContact O-N 2.87Å; V472-F475 HydrophobicContact CB-CE1 4.12Å; V472-F475 HydrophobicContact CB-CZ 4.31Å; V472-F475 HydrophobicContact CG1-CE1 3.99Å; V472-F475 HydrophobicContact CG1-CZ 4.1Å; V472-F475 PolarHBondContact O-N 3.49Å; V472-F475 VanDerWaalsContact O-N 3.17Å; V472-M476 HydrophobicContact CB-CG 4.46Å; V472-M476 VanDerWaalsContact O-CG 3.26Å; V472-M476 WeakPolarHBondContact O-CG 3.13Å; V472-M476 PolarHBondContact O-N 3.47Å; V472-M476 VanDerWaalsContact O-N 3.14Å
473D97.8Very high97.6Very high2 Ų214.9 Ų14.91%0.01111%0.105CC..THydrogen-bonded Turntrans-61.1-24.1176.578-26.1000113G409 H471 F475 N590 H646 C647G409-D473 WeakPolarHBondContact O-CB 3.27Å; G409-D473 PolarHBondContact O-N 3.15Å; H471-D473 WeakPolarHBondContact CB-OD1 3.45Å; D473-F475 PolarHBondContact O-N 2.8Å; D473-N590 WeakPolarHBondContact CB-OD1 3.49Å; D473-N590 WeakPolarHBondContact O-CB 3.29Å; D473-N590 PolarHBondContact O-OD1 2.89Å; D473-N590 PolarHBondContact OD2-ND2 2.78Å; D473-N590 PolarHBondContact OD2-OD1 2.87Å; D473-H646 IonicContact OD2-CE1 3.53Å; D473-H646 IonicContact OD2-ND1 3.07Å; D473-H646 PolarHBondContact OD2-ND1 2.82Å; D473-C647 PolarHBondContact OD2-SG 3.04Å; D473-C647 VanDerWaalsContact OD2-SG 3.38Å
474E97.9Very high97.4Very high12 Ų1217.5 Ų17.56%0.05612%0.123CC..THydrogen-bonded Turntrans-64.4-25.8177-69.2-176.8-95.700113.4L467 V469 G470 H471 V472 V589L467-E474 HydrophobicContact CD1-CB 3.78Å; L467-E474 HydrophobicContact CD1-CG 4.44Å; L467-E474 HydrophobicContact CD2-CB 4.44Å; V469-E474 WeakPolarHBondContact CB-OE1 3.39Å; G470-E474 PolarHBondContact N-OE1 2.78Å; H471-E474 HydrophobicContact CB-CG 4.11Å; H471-E474 PolarHBondContact N-OE1 2.92Å; V472-E474 PolarHBondContact O-N 2.87Å; E474-V589 VanDerWaalsContact O-CG1 3.23Å; E474-V589 WeakPolarHBondContact O-CG1 3.28Å
475F98.7Very high96.9Very high0 Ų027.8 Ų27.80%017%0.168CC..THydrogen-bonded Turntrans-128.4-12-172.673.8-98.6000115.5L462 W466 L467 V472 D473 M491 A492 L548 N551L462-F475 HydrophobicContact CB-CZ 4.38Å; L462-F475 HydrophobicContact CD1-CZ 4.15Å; W466-F475 HydrophobicContact CZ2-CB 4.09Å; W466-F475 HydrophobicContact CZ2-CD1 4.13Å; W466-F475 HydrophobicContact CZ2-CG 4.19Å; L467-F475 HydrophobicContact CD1-CD1 3.77Å; L467-F475 HydrophobicContact CD1-CE1 4.49Å; V472-F475 HydrophobicContact CB-CE1 4.12Å; V472-F475 HydrophobicContact CB-CZ 4.31Å; V472-F475 HydrophobicContact CG1-CE1 3.99Å; V472-F475 HydrophobicContact CG1-CZ 4.1Å; V472-F475 PolarHBondContact O-N 3.49Å; V472-F475 VanDerWaalsContact O-N 3.17Å; D473-F475 PolarHBondContact O-N 2.8Å; F475-M491 HydrophobicContact CD2-CE 4.04Å; F475-M491 HydrophobicContact CD2-SD 4.4Å; F475-M491 HydrophobicContact CE2-CE 4.36Å; F475-A492 HydrophobicContact CB-CB 4.21Å; F475-A492 PolarHBondContact O-N 3.41Å; F475-L548 HydrophobicContact CB-CD2 3.57Å; F475-L548 HydrophobicContact CD2-CD2 4.15Å; F475-L548 HydrophobicContact CG-CD2 4.1Å; F475-N551 HydrophobicContact CE2-CB 3.73Å; F475-N551 HydrophobicContact CZ-CB 4.18Å
476M98.8Very high96.8Very high3 Ų334 Ų342%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-142.1150.6178.662.9125.1-78.900112.9L430 L462 V472 F478 L489 L490 M491L430-M476 HydrophobicContact CD1-CE 4.27Å; L430-M476 HydrophobicContact CD1-SD 3.72Å; L462-M476 HydrophobicContact CD1-SD 4.19Å; V472-M476 HydrophobicContact CB-CG 4.46Å; V472-M476 VanDerWaalsContact O-CG 3.26Å; V472-M476 WeakPolarHBondContact O-CG 3.13Å; V472-M476 PolarHBondContact O-N 3.47Å; V472-M476 VanDerWaalsContact O-N 3.14Å; M476-F478 HydrophobicContact CE-CD2 3.88Å; M476-F478 HydrophobicContact CE-CE2 3.57Å; M476-F478 HydrophobicContact CE-CZ 4.4Å; M476-F478 HydrophobicContact SD-CE2 4.28Å; M476-L489 HydrophobicContact CB-CD1 4.05Å; M476-L490 VanDerWaalsContact CA-O 3.24Å; M476-L490 WeakPolarHBondContact CA-O 3.21Å; M476-M491 HydrophobicContact CB-SD 3.86Å
477S98.8Very high96.8Very high7 Ų735.2 Ų35.25%0.04920%0.2CC..EExtended strand (participates in β ladder)trans-154.2169.5168.261.80000110.9L490 V589S477-L490 PolarHBondContact N-O 3.09Å; S477-L490 PolarHBondContact O-N 2.79Å; S477-V589 VanDerWaalsContact CB-O 3.28Å; S477-V589 WeakPolarHBondContact CB-O 3.42Å; S477-V589 WeakPolarHBondContact OG-CG2 3.25Å; S477-V589 PolarHBondContact OG-O 2.81Å
478F98.9Very high96.8Very high2 Ų235.7 Ų35.71%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-120.3139.8176.2-63.6-80.4000111N302 P415 L430 M476 F487 L488 L489 L559N302-F478 VanDerWaalsContact CB-O 3.28Å; N302-F478 WeakPolarHBondContact CB-O 3.46Å; P415-F478 VanDerWaalsContact CD-CG 3.5Å; P415-F478 HydrophobicContact CG-CB 3.99Å; P415-F478 HydrophobicContact CG-CD1 4.04Å; P415-F478 HydrophobicContact CG-CG 3.96Å; L430-F478 HydrophobicContact CD1-CE2 3.73Å; L430-F478 HydrophobicContact CD1-CZ 4.01Å; M476-F478 HydrophobicContact CE-CD2 3.88Å; M476-F478 HydrophobicContact CE-CE2 3.57Å; M476-F478 HydrophobicContact CE-CZ 4.4Å; M476-F478 HydrophobicContact SD-CE2 4.28Å; F478-F487 AromaticContact CD1-CD2 3.74Å; F478-F487 HydrophobicContact CD1-CD2 3.74Å; F478-F487 AromaticContact CD1-CE2 3.83Å; F478-F487 HydrophobicContact CD1-CE2 3.83Å; F478-F487 HydrophobicContact CE1-CD2 4.28Å; F478-F487 AromaticContact CE1-CE2 3.88Å; F478-F487 HydrophobicContact CE1-CE2 3.88Å; F478-L488 WeakPolarHBondContact CA-O 3.32Å; F478-L489 HydrophobicContact CD1-CB 4.18Å; F478-L489 HydrophobicContact CD1-CD1 4.19Å; F478-L489 HydrophobicContact CE1-CB 3.92Å; F478-L489 HydrophobicContact CE1-CD1 3.7Å; F478-L489 HydrophobicContact CE1-CG 4.34Å; F478-L489 HydrophobicContact CZ-CD1 3.92Å; F478-L559 HydrophobicContact CE1-CD1 4.33Å; F478-L559 HydrophobicContact CZ-CD1 3.84Å
479V98.8Very high96.9Very high0 Ų034 Ų340%019%0.192CC..EExtended strand (participates in β ladder)trans-126.7142.7173.2-65.80000110.5F487 L488 L490 M591 V593 L598 L627V479-F487 CarbonylContact O-C 3.53Å; V479-F487 VanDerWaalsContact O-CA 3.24Å; V479-F487 WeakPolarHBondContact O-CA 3.16Å; V479-F487 WeakPolarHBondContact O-CB 3.44Å; V479-L488 HydrophobicContact CG2-CB 4.09Å; V479-L488 PolarHBondContact N-O 2.87Å; V479-L488 PolarHBondContact O-N 2.78Å; V479-L490 HydrophobicContact CG1-CD1 3.65Å; V479-L490 HydrophobicContact CG1-CG 4.36Å; V479-L490 HydrophobicContact CG2-CD1 4.05Å; V479-L490 HydrophobicContact CG2-CD2 4.06Å; V479-L490 HydrophobicContact CG2-CG 4.06Å; V479-M591 HydrophobicContact CG1-SD 4.22Å; V479-V593 HydrophobicContact CG1-CG1 4.29Å; V479-V593 HydrophobicContact CG1-CG2 3.98Å; V479-L598 HydrophobicContact CG1-CD1 4.3Å; V479-L598 HydrophobicContact CG1-CD2 3.82Å; V479-L627 HydrophobicContact CB-CD1 4.28Å; V479-L627 HydrophobicContact CG2-CD1 3.85Å
480P98.3Very high97.1Very high21 Ų2132.7 Ų32.714%0.13618%0.184CC..EExtended strand (participates in β ladder)trans-68.2155.3170.331.1-34.4000110I303 P482 D595I303-P480 HydrophobicContact CG2-CB 4.32Å; P480-P482 WeakPolarHBondContact O-CD 3.28Å; P480-D595 WeakPolarHBondContact CG-O 3.5Å
481I97.9Very high97.1Very high34 Ų3432.8 Ų32.817%0.17418%0.184CC..  trans-94.5108.9164.1-59.8177.7000107.3G483 T484 K486 L488I481-G483 PolarHBondContact O-N 2.9Å; I481-T484 WeakPolarHBondContact CB-OG1 3.3Å; I481-T484 HydrophobicContact CG2-CG2 4Å; I481-T484 PolarHBondContact O-N 3.04Å; I481-T484 PolarHBondContact O-OG1 3.18Å; I481-K486 HydrophobicContact CD1-CB 3.94Å; I481-K486 HydrophobicContact CG1-CB 4.48Å; I481-K486 PolarHBondContact N-O 2.79Å; I481-L488 HydrophobicContact CD1-CD1 4.2Å; I481-L488 HydrophobicContact CD1-CD2 4.07Å; I481-L488 HydrophobicContact CD1-CG 3.82Å; I481-L488 HydrophobicContact CG1-CD1 4.12Å; I481-L488 HydrophobicContact CG1-CG 3.87Å
482P95.3Very high97.1Very high41 Ų4132.8 Ų32.827%0.26619%0.185SC..THydrogen-bonded Turntrans-48.5136.6-177.3-31.437.1000113.6P480 T484 K596 L625 L627P480-P482 WeakPolarHBondContact O-CD 3.28Å; P482-T484 PolarHBondContact O-N 2.85Å; P482-K596 HydrophobicContact CB-CB 4.42Å; P482-K596 HydrophobicContact CG-CB 3.79Å; P482-L625 WeakPolarHBondContact CD-O 3.45Å; P482-L627 HydrophobicContact CG-CD2 3.95Å; P482-L627 HydrophobicContact CG-CG 4.32Å
483G88.6Confident97.1Very high92 Ų9232.9 Ų32.995%0.94819%0.186SC*.THydrogen-bonded Turntrans764.4-178.700000115.2I481I481-G483 PolarHBondContact O-N 2.9Å
484T94.6Very high97.2Very high75 Ų7532.9 Ų32.946%0.4619%0.186SC..SBendtrans-129.2173.417882.40000112I481 P482 K486I481-T484 WeakPolarHBondContact CB-OG1 3.3Å; I481-T484 HydrophobicContact CG2-CG2 4Å; I481-T484 PolarHBondContact O-N 3.04Å; I481-T484 PolarHBondContact O-OG1 3.18Å; P482-T484 PolarHBondContact O-N 2.85Å; T484-K486 VanDerWaalsContact C-N 3.34Å; T484-K486 PolarHBondContact OG1-N 3Å
485K87.3Confident97.2Very high217 Ų21735.3 Ų35.394%0.94320%0.204SC*.SBendtrans-93.58.6168.6-63.4-173.9178.4-176.90113
486K96.8Very high97.2Very high143 Ų14336.2 Ų36.262%0.62221%0.211SC*.  trans-93.6164.5-177.7-63.9-172.9175.6-169.30110.5I481 T484I481-K486 HydrophobicContact CD1-CB 3.94Å; I481-K486 HydrophobicContact CG1-CB 4.48Å; I481-K486 PolarHBondContact N-O 2.79Å; T484-K486 VanDerWaalsContact C-N 3.34Å; T484-K486 PolarHBondContact OG1-N 3Å
487F98.6Very high97.2Very high27 Ų2736.1 Ų36.112%0.11821%0.211CC..EExtended strand (participates in β ladder)trans-138.1166.817766.9-91.1000109.4I303 P415 V417 F478 V479 L561I303-F487 HydrophobicContact CG2-CB 3.79Å; P415-F487 HydrophobicContact CB-CB 4.42Å; P415-F487 HydrophobicContact CB-CD1 3.46Å; P415-F487 VanDerWaalsContact CB-CD1 3.46Å; P415-F487 HydrophobicContact CB-CD2 4.15Å; P415-F487 HydrophobicContact CB-CE1 3.59Å; P415-F487 HydrophobicContact CB-CE2 4.26Å; P415-F487 HydrophobicContact CB-CG 3.75Å; P415-F487 HydrophobicContact CB-CZ 3.99Å; P415-F487 HydrophobicContact CG-CB 4.08Å; P415-F487 HydrophobicContact CG-CD1 3.88Å; P415-F487 HydrophobicContact CG-CD2 3.66Å; P415-F487 HydrophobicContact CG-CE1 4.19Å; P415-F487 HydrophobicContact CG-CE2 3.98Å; P415-F487 HydrophobicContact CG-CG 3.6Å; P415-F487 HydrophobicContact CG-CZ 4.22Å; V417-F487 HydrophobicContact CG1-CE1 4.08Å; V417-F487 HydrophobicContact CG1-CZ 3.67Å; F478-F487 AromaticContact CD1-CD2 3.74Å; F478-F487 HydrophobicContact CD1-CD2 3.74Å; F478-F487 AromaticContact CD1-CE2 3.83Å; F478-F487 HydrophobicContact CD1-CE2 3.83Å; F478-F487 HydrophobicContact CE1-CD2 4.28Å; F478-F487 AromaticContact CE1-CE2 3.88Å; F478-F487 HydrophobicContact CE1-CE2 3.88Å; V479-F487 CarbonylContact O-C 3.53Å; V479-F487 VanDerWaalsContact O-CA 3.24Å; V479-F487 WeakPolarHBondContact O-CA 3.16Å; V479-F487 WeakPolarHBondContact O-CB 3.44Å; F487-L561 HydrophobicContact CE2-CD2 3.93Å; F487-L561 HydrophobicContact CZ-CD2 3.8Å
488L98.8Very high97.2Very high9 Ų936.2 Ų36.25%0.04721%0.21CC..EExtended strand (participates in β ladder)trans-122.8143.6169.7-65.7170.8000109.8F478 V479 I481 D565 I567 L625F478-L488 WeakPolarHBondContact CA-O 3.32Å; V479-L488 HydrophobicContact CG2-CB 4.09Å; V479-L488 PolarHBondContact N-O 2.87Å; V479-L488 PolarHBondContact O-N 2.78Å; I481-L488 HydrophobicContact CD1-CD1 4.2Å; I481-L488 HydrophobicContact CD1-CD2 4.07Å; I481-L488 HydrophobicContact CD1-CG 3.82Å; I481-L488 HydrophobicContact CG1-CD1 4.12Å; I481-L488 HydrophobicContact CG1-CG 3.87Å; L488-D565 WeakPolarHBondContact CA-O 3.21Å; L488-I567 HydrophobicContact CD1-CD1 3.61Å; L488-I567 HydrophobicContact CD1-CG1 4.14Å; L488-L625 HydrophobicContact CD1-CD1 3.27Å
489L98.9Very high97.2Very high0 Ų041.7 Ų41.70%023%0.234CC..EExtended strand (participates in β ladder)trans-83.1126.3162.4171.864000108.3M476 F478 M491 L555 L561 D565 I566 I567M476-L489 HydrophobicContact CB-CD1 4.05Å; F478-L489 HydrophobicContact CD1-CB 4.18Å; F478-L489 HydrophobicContact CD1-CD1 4.19Å; F478-L489 HydrophobicContact CE1-CB 3.92Å; F478-L489 HydrophobicContact CE1-CD1 3.7Å; F478-L489 HydrophobicContact CE1-CG 4.34Å; F478-L489 HydrophobicContact CZ-CD1 3.92Å; L489-M491 HydrophobicContact CD1-SD 4.23Å; L489-M491 HydrophobicContact CD2-CG 4.04Å; L489-M491 HydrophobicContact CD2-SD 4.08Å; L489-M491 HydrophobicContact CG-CG 4Å; L489-M491 HydrophobicContact CG-SD 4.24Å; L489-L555 HydrophobicContact CD1-CD1 4.33Å; L489-L555 HydrophobicContact CD2-CB 4.07Å; L489-L555 HydrophobicContact CD2-CD1 3.84Å; L489-L555 HydrophobicContact CD2-CG 4.49Å; L489-L561 HydrophobicContact CB-CD1 4.18Å; L489-L561 HydrophobicContact CD2-CD1 3.92Å; L489-D565 PolarHBondContact N-O 2.96Å; L489-I566 HydrophobicContact CB-CG1 4.28Å; L489-I566 HydrophobicContact CD2-CD1 4.18Å; L489-I566 HydrophobicContact CD2-CG1 4.1Å; L489-I566 HydrophobicContact CD2-CG2 4.35Å; L489-I566 HydrophobicContact CG-CG2 4.33Å; L489-I566 CarbonylContact O-C 3.57Å; L489-I566 VanDerWaalsContact O-CA 3.29Å; L489-I566 WeakPolarHBondContact O-CA 3.41Å; L489-I567 PolarHBondContact O-N 3.48Å
490L98.9Very high97.2Very high0 Ų042.1 Ų42.10%024%0.236CC..EExtended strand (participates in β ladder)trans-97.6128.5169.6-54.8-174.9000108M476 S477 V479 I567 L569 V589 M591 L622M476-L490 VanDerWaalsContact CA-O 3.24Å; M476-L490 WeakPolarHBondContact CA-O 3.21Å; S477-L490 PolarHBondContact N-O 3.09Å; S477-L490 PolarHBondContact O-N 2.79Å; V479-L490 HydrophobicContact CG1-CD1 3.65Å; V479-L490 HydrophobicContact CG1-CG 4.36Å; V479-L490 HydrophobicContact CG2-CD1 4.05Å; V479-L490 HydrophobicContact CG2-CD2 4.06Å; V479-L490 HydrophobicContact CG2-CG 4.06Å; L490-I567 WeakPolarHBondContact CA-O 3.22Å; L490-I567 HydrophobicContact CD2-CB 3.81Å; L490-I567 HydrophobicContact CD2-CG2 4.2Å; L490-L569 HydrophobicContact CB-CD1 4.33Å; L490-L569 HydrophobicContact CD1-CD1 4.16Å; L490-V589 HydrophobicContact CB-CG2 3.96Å; L490-M591 HydrophobicContact CD1-CE 3.58Å; L490-M591 HydrophobicContact CD1-SD 3.98Å; L490-L622 HydrophobicContact CD2-CD2 4.03Å
491M98.8Very high97.2Very high2 Ų241.1 Ų41.11%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-118135.6176.7-72-68.9-6700110F475 M476 L489 L548 N551 R552 L555 I566 I567 D568 L569F475-M491 HydrophobicContact CD2-CE 4.04Å; F475-M491 HydrophobicContact CD2-SD 4.4Å; F475-M491 HydrophobicContact CE2-CE 4.36Å; M476-M491 HydrophobicContact CB-SD 3.86Å; L489-M491 HydrophobicContact CD1-SD 4.23Å; L489-M491 HydrophobicContact CD2-CG 4.04Å; L489-M491 HydrophobicContact CD2-SD 4.08Å; L489-M491 HydrophobicContact CG-CG 4Å; L489-M491 HydrophobicContact CG-SD 4.24Å; M491-L548 WeakPolarHBondContact CE-O 3.44Å; M491-N551 HydrophobicContact CE-CB 4.38Å; M491-R552 HydrophobicContact CE-CB 4.29Å; M491-L555 HydrophobicContact SD-CD1 3.85Å; M491-I566 HydrophobicContact CB-CG2 4.36Å; M491-I566 HydrophobicContact CG-CG2 3.84Å; M491-I567 PolarHBondContact N-O 2.9Å; M491-D568 CarbonylContact O-C 3.44Å; M491-D568 WeakPolarHBondContact O-CA 3.38Å; M491-L569 PolarHBondContact O-N 3.29Å
492A98.8Very high97.2Very high2 Ų245.7 Ų45.72%0.01725%0.245CC..EExtended strand (participates in β ladder)trans-60.5137.416400000109.9F475 L548 L569 A571 F573 V589F475-A492 HydrophobicContact CB-CB 4.21Å; F475-A492 PolarHBondContact O-N 3.41Å; A492-L548 HydrophobicContact CB-CD2 4.08Å; A492-L548 WeakPolarHBondContact O-CD1 3.22Å; A492-L569 CarbonylContact C-O 3.51Å; A492-A571 HydrophobicContact CB-CB 3.72Å; A492-F573 HydrophobicContact CB-CZ 4.32Å; A492-V589 HydrophobicContact CB-CG1 4.26Å
493S98.9Very high97.4Very high2 Ų247.4 Ų47.41%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-141.8111.5-177.9-179.10000111.7S495 A496 C497 L569 P570 A571S493-S495 PolarHBondContact OG-OG 2.84Å; S493-S495 VanDerWaalsContact OG-OG 3.05Å; S493-A496 WeakPolarHBondContact OG-CB 3.37Å; S493-A496 PolarHBondContact OG-N 3.35Å; S493-C497 PolarHBondContact O-N 3.32Å; S493-L569 PolarHBondContact N-O 2.96Å; S493-P570 WeakPolarHBondContact O-CA 3.42Å; S493-A571 PolarHBondContact O-N 3.19Å
494T98.8Very high97.9Very high2 Ų245.6 Ų45.61%0.01222%0.215CC..Hα-helixtrans-72.9-35.4174.974.60000111.5A496 C497 Y498 N541 Q545 L548 A571 F573T494-A496 VanDerWaalsContact C-N 3.32Å; T494-A496 PolarHBondContact O-N 2.87Å; T494-C497 PolarHBondContact O-N 2.91Å; T494-C497 VanDerWaalsContact O-N 3.16Å; T494-Y498 WeakPolarHBondContact O-CD2 3.24Å; T494-Y498 PolarHBondContact O-N 3.33Å; T494-N541 HydrophobicContact CG2-CB 4.19Å; T494-N541 WeakPolarHBondContact CG2-OD1 3.37Å; T494-N541 PolarHBondContact OG1-O 2.91Å; T494-Q545 PolarHBondContact OG1-OE1 2.97Å; T494-L548 HydrophobicContact CG2-CD1 4.2Å; T494-A571 VanDerWaalsContact CA-O 3.24Å; T494-A571 WeakPolarHBondContact CA-O 3.39Å; T494-F573 HydrophobicContact CG2-CD2 3.6Å; T494-F573 HydrophobicContact CG2-CE2 3.83Å
495S98.7Very high98Very high62 Ų6245.7 Ų45.743%0.43421%0.211SC..Hα-helixtrans-61.3-40.517766.90000111.9S493 Y498 K499 Q545S493-S495 PolarHBondContact OG-OG 2.84Å; S493-S495 VanDerWaalsContact OG-OG 3.05Å; S495-Y498 PolarHBondContact O-N 2.88Å; S495-K499 VanDerWaalsContact O-CB 3.3Å; S495-K499 WeakPolarHBondContact O-CB 3.16Å; S495-K499 PolarHBondContact O-N 2.76Å; S495-Q545 PolarHBondContact OG-OE1 2.86Å
496A98.7Very high98.6Very high20 Ų2044.2 Ų44.217%0.16520%0.204CC..Hα-helixtrans-62.5-43.7173.400000111.8S493 T494 K499 L500 P570S493-A496 WeakPolarHBondContact OG-CB 3.37Å; S493-A496 PolarHBondContact OG-N 3.35Å; T494-A496 VanDerWaalsContact C-N 3.32Å; T494-A496 PolarHBondContact O-N 2.87Å; A496-K499 PolarHBondContact O-N 2.97Å; A496-L500 WeakPolarHBondContact O-CB 3.03Å; A496-L500 PolarHBondContact O-N 2.75Å; A496-P570 HydrophobicContact CB-CB 4.47Å
497C98.8Very high98.6Very high0 Ų041.9 Ų41.90%020%0.198CC..Hα-helixtrans-62.9-46.2177.3-168.40000112.2S493 T494 K499 L500 F501 P570 A571S493-C497 PolarHBondContact O-N 3.32Å; T494-C497 PolarHBondContact O-N 2.91Å; T494-C497 VanDerWaalsContact O-N 3.16Å; C497-K499 VanDerWaalsContact C-N 3.32Å; C497-K499 PolarHBondContact O-N 3.18Å; C497-L500 PolarHBondContact O-N 3.15Å; C497-F501 WeakPolarHBondContact O-CB 3.25Å; C497-F501 WeakPolarHBondContact O-CG 3.25Å; C497-F501 PolarHBondContact O-N 2.9Å; C497-P570 HydrophobicContact CB-CB 3.77Å; C497-A571 WeakPolarHBondContact CB-O 3.38Å
498Y98.7Very high98.5Very high10 Ų1043.6 Ų43.64%0.03922%0.224CC..Hα-helixtrans-63.8-37.9176.3-88.3-79.4000112.3T494 S495 R502 I531 L532 L537 V538 N541 L572T494-Y498 WeakPolarHBondContact O-CD2 3.24Å; T494-Y498 PolarHBondContact O-N 3.33Å; S495-Y498 PolarHBondContact O-N 2.88Å; Y498-R502 WeakPolarHBondContact O-CB 3.3Å; Y498-R502 WeakPolarHBondContact O-CD 3.44Å; Y498-R502 WeakPolarHBondContact O-CG 3.46Å; Y498-R502 PolarHBondContact O-N 3.07Å; Y498-I531 HydrophobicContact CE1-CG2 4.49Å; Y498-L532 HydrophobicContact CD1-CD2 3.64Å; Y498-L532 HydrophobicContact CE1-CD2 4.02Å; Y498-L537 PolarHBondContact OH-O 2.85Å; Y498-V538 HydrophobicContact CE1-CG2 3.6Å; Y498-V538 WeakPolarHBondContact OH-CA 3.2Å; Y498-V538 PolarHBondContact OH-N 2.73Å; Y498-N541 HydrophobicContact CD2-CB 4.46Å; Y498-N541 HydrophobicContact CE2-CB 3.6Å; Y498-L572 HydrophobicContact CD2-CD1 4.09Å; Y498-L572 HydrophobicContact CE2-CD1 3.37Å
499K98.8Very high98.5Very high116 Ų11645.7 Ų45.750%0.50423%0.234SC..Hα-helixtrans-61.5-50.3175.3175.955.7171.8149.40110.9S495 A496 C497 F501 R502 E503S495-K499 VanDerWaalsContact O-CB 3.3Å; S495-K499 WeakPolarHBondContact O-CB 3.16Å; S495-K499 PolarHBondContact O-N 2.76Å; A496-K499 PolarHBondContact O-N 2.97Å; C497-K499 VanDerWaalsContact C-N 3.32Å; C497-K499 PolarHBondContact O-N 3.18Å; K499-F501 PolarHBondContact O-N 2.67Å; K499-R502 PolarHBondContact O-N 3.19Å; K499-E503 HydrophobicContact CD-CG 4.45Å; K499-E503 WeakPolarHBondContact CE-OE1 3.4Å; K499-E503 IonicContact NZ-OE1 2.66Å; K499-E503 PolarHBondContact NZ-OE1 3.46Å; K499-E503 WeakPolarHBondContact O-CG 3.23Å; K499-E503 PolarHBondContact O-N 3.16Å
500L98.6Very high98.4Very high9 Ų946 Ų465%0.04724%0.236CC..Hα-helixtrans-58-46.9176.9177.364000111.8A496 C497 R502 E503 K504 L614 H617A496-L500 WeakPolarHBondContact O-CB 3.03Å; A496-L500 PolarHBondContact O-N 2.75Å; C497-L500 PolarHBondContact O-N 3.15Å; L500-R502 PolarHBondContact O-N 2.93Å; L500-E503 WeakPolarHBondContact O-CB 3.34Å; L500-E503 PolarHBondContact O-N 3.13Å; L500-K504 HydrophobicContact CD1-CG 4.37Å; L500-K504 WeakPolarHBondContact O-CG 3.48Å; L500-K504 PolarHBondContact O-N 3.32Å; L500-L614 HydrophobicContact CD2-CD2 3.77Å; L500-H617 HydrophobicContact CD1-CB 4.5Å; L500-H617 HydrophobicContact CD2-CB 3.94Å
501F98.6Very high98.3Very high1 Ų151 Ų510%0.00426%0.26CS..Hα-helixtrans-66.7-36.9-179.3-74.71.5000112.8C497 K499 E503 K504 Q505 M514 I528 I531 L532 P606 L614C497-F501 WeakPolarHBondContact O-CB 3.25Å; C497-F501 WeakPolarHBondContact O-CG 3.25Å; C497-F501 PolarHBondContact O-N 2.9Å; K499-F501 PolarHBondContact O-N 2.67Å; F501-E503 VanDerWaalsContact C-N 3.34Å; F501-K504 PolarHBondContact O-N 3.3Å; F501-Q505 WeakPolarHBondContact O-CB 3.33Å; F501-Q505 PolarHBondContact O-N 3.02Å; F501-M514 HydrophobicContact CE2-SD 4.19Å; F501-M514 HydrophobicContact CZ-CE 4.47Å; F501-M514 HydrophobicContact CZ-SD 4.1Å; F501-I528 HydrophobicContact CB-CG2 4.13Å; F501-I528 HydrophobicContact CD1-CD1 4.5Å; F501-I528 HydrophobicContact CD1-CG1 4.48Å; F501-I528 HydrophobicContact CG-CG1 4.39Å; F501-I528 WeakPolarHBondContact O-CG2 3.43Å; F501-I531 HydrophobicContact CD2-CD1 4.49Å; F501-I531 HydrophobicContact CD2-CG2 4.24Å; F501-I531 HydrophobicContact CE2-CD1 3.96Å; F501-I531 HydrophobicContact CE2-CG2 4.47Å; F501-L532 HydrophobicContact CB-CD1 4.4Å; F501-L532 HydrophobicContact CB-CD2 4.1Å; F501-L532 HydrophobicContact CB-CG 4.43Å; F501-P606 HydrophobicContact CD1-CG 4.32Å; F501-P606 HydrophobicContact CE1-CG 3.66Å; F501-P606 HydrophobicContact CZ-CG 3.84Å; F501-L614 HydrophobicContact CE1-CD2 4.07Å; F501-L614 HydrophobicContact CE1-CG 4.29Å; F501-L614 HydrophobicContact CZ-CD1 4.38Å; F501-L614 HydrophobicContact CZ-CD2 4.42Å
502R98.6Very high98.2Very high129 Ų12951.6 Ų51.649%0.48726%0.264SS..Hα-helixtrans-65.3-37.7173.6-72.9169.1-171.6144.82.1112.1Y498 K499 L500 Q505 K506 L532Y498-R502 WeakPolarHBondContact O-CB 3.3Å; Y498-R502 WeakPolarHBondContact O-CD 3.44Å; Y498-R502 WeakPolarHBondContact O-CG 3.46Å; Y498-R502 PolarHBondContact O-N 3.07Å; K499-R502 PolarHBondContact O-N 3.19Å; L500-R502 PolarHBondContact O-N 2.93Å; R502-Q505 PolarHBondContact O-N 3.14Å; R502-K506 WeakPolarHBondContact O-CB 3.39Å; R502-K506 PolarHBondContact O-N 3.22Å; R502-L532 HydrophobicContact CG-CD1 4.11Å; R502-L532 HydrophobicContact CG-CD2 3.98Å
503E98.4Very high97.9Very high77 Ų7755 Ų5536%0.3628%0.282SS..Hα-helixtrans-63.6-50.5173.8-72.4176.8168.400110.8K499 L500 F501 Q505 K506 D507K499-E503 HydrophobicContact CD-CG 4.45Å; K499-E503 WeakPolarHBondContact CE-OE1 3.4Å; K499-E503 IonicContact NZ-OE1 2.66Å; K499-E503 PolarHBondContact NZ-OE1 3.46Å; K499-E503 WeakPolarHBondContact O-CG 3.23Å; K499-E503 PolarHBondContact O-N 3.16Å; L500-E503 WeakPolarHBondContact O-CB 3.34Å; L500-E503 PolarHBondContact O-N 3.13Å; F501-E503 VanDerWaalsContact C-N 3.34Å; E503-Q505 VanDerWaalsContact C-N 3.29Å; E503-Q505 PolarHBondContact O-N 2.98Å; E503-K506 WeakPolarHBondContact O-CA 3.36Å; E503-K506 WeakPolarHBondContact O-CB 3.33Å; E503-K506 PolarHBondContact O-N 3.08Å; E503-D507 PolarHBondContact O-N 2.8Å
504K98.1Very high97.6Very high54 Ų5455 Ų5524%0.23528%0.282CS..Hα-helixtrans-62.7-33.8177.1-63.5-53.7175.6-169.30113.4L500 F501 D507 G508 H509 I528 V608L500-K504 HydrophobicContact CD1-CG 4.37Å; L500-K504 WeakPolarHBondContact O-CG 3.48Å; L500-K504 PolarHBondContact O-N 3.32Å; F501-K504 PolarHBondContact O-N 3.3Å; K504-D507 PolarHBondContact O-N 3.31Å; K504-G508 PolarHBondContact O-N 2.58Å; K504-H509 HydrophobicContact CB-CB 4.44Å; K504-H509 WeakPolarHBondContact O-CA 3.21Å; K504-H509 WeakPolarHBondContact O-CB 3.11Å; K504-H509 PolarHBondContact O-N 3.05Å; K504-I528 HydrophobicContact CB-CD1 3.74Å; K504-V608 HydrophobicContact CD-CG2 4.46Å
505Q98.3Very high97.1Very high78 Ų7855.4 Ų55.436%0.36428%0.283SS..Iπ-helixtrans-61.9-46.8170.7-176.8-176.452.800111.4F501 R502 E503 D507 G508 I528 N529 L532F501-Q505 WeakPolarHBondContact O-CB 3.33Å; F501-Q505 PolarHBondContact O-N 3.02Å; R502-Q505 PolarHBondContact O-N 3.14Å; E503-Q505 VanDerWaalsContact C-N 3.29Å; E503-Q505 PolarHBondContact O-N 2.98Å; Q505-D507 VanDerWaalsContact C-N 3.28Å; Q505-D507 PolarHBondContact O-N 2.8Å; Q505-G508 PolarHBondContact O-N 2.82Å; Q505-G508 VanDerWaalsContact O-N 3.1Å; Q505-I528 HydrophobicContact CB-CG2 3.95Å; Q505-N529 PolarHBondContact NE2-OD1 2.86Å; Q505-L532 HydrophobicContact CB-CD1 3.88Å; Q505-L532 HydrophobicContact CG-CD1 4.28Å
506K98.3Very high96.3Very high185 Ų18558.8 Ų58.880%0.80429%0.29SS*.Iπ-helixtrans-62.9-34.9178.6-173.9-176.1176.6-171.90112.2R502 E503 G508R502-K506 WeakPolarHBondContact O-CB 3.39Å; R502-K506 PolarHBondContact O-N 3.22Å; E503-K506 WeakPolarHBondContact O-CA 3.36Å; E503-K506 WeakPolarHBondContact O-CB 3.33Å; E503-K506 PolarHBondContact O-N 3.08Å; K506-G508 PolarHBondContact O-N 2.72Å
507D97.4Very high95.4Very high94 Ų9461.3 Ų61.350%0.50332%0.318SS..Iπ-helixtrans-73.60.2176.9-61.3-17.2000113E503 K504 Q505E503-D507 PolarHBondContact O-N 2.8Å; K504-D507 PolarHBondContact O-N 3.31Å; Q505-D507 VanDerWaalsContact C-N 3.28Å; Q505-D507 PolarHBondContact O-N 2.8Å
508G97.7Very high94.4Very high64 Ų6462.6 Ų62.666%0.6633%0.325SS*.Iπ-helixtrans94.42178.200000114.6K504 Q505 K506 G510K504-G508 PolarHBondContact O-N 2.58Å; Q505-G508 PolarHBondContact O-N 2.82Å; Q505-G508 VanDerWaalsContact O-N 3.1Å; K506-G508 PolarHBondContact O-N 2.72Å; G508-G510 VanDerWaalsContact C-N 3.34Å; G508-G510 PolarHBondContact O-N 2.91Å
509H97.8Very high93Very high53 Ų5365.2 Ų65.225%0.24535%0.354CS..Iπ-helixtrans-93.622-178.4-50.5-70.2000113.6K504 E511 A512 V608 E609K504-H509 HydrophobicContact CB-CB 4.44Å; K504-H509 WeakPolarHBondContact O-CA 3.21Å; K504-H509 WeakPolarHBondContact O-CB 3.11Å; K504-H509 PolarHBondContact O-N 3.05Å; H509-E511 PolarHBondContact O-N 2.93Å; H509-E511 VanDerWaalsContact O-N 3.11Å; H509-A512 HydrophobicContact CB-CB 4.35Å; H509-A512 WeakPolarHBondContact O-CB 3.11Å; H509-A512 PolarHBondContact O-N 3.21Å; H509-V608 HydrophobicContact CB-CG2 3.96Å; H509-E609 IonicContact CE1-OE1 2.71Å
510G96.5Very high91.7Very high5 Ų563 Ų635%0.05236%0.364CS..THydrogen-bonded Turntrans-57.8-26.3-178.800000114.7G508 I528 N529G508-G510 VanDerWaalsContact C-N 3.34Å; G508-G510 PolarHBondContact O-N 2.91Å; G510-I528 WeakPolarHBondContact O-CB 3.16Å; G510-I528 PolarHBondContact O-N 2.92Å; G510-N529 WeakPolarHBondContact CA-OD1 3.36Å; G510-N529 WeakPolarHBondContact O-CB 3.37Å; G510-N529 VanDerWaalsContact O-CG 3.25Å; G510-N529 PolarHBondContact O-N 3.46Å; G510-N529 PolarHBondContact O-ND2 3.34Å
511E97.3Very high90.5Very high107 Ų10765 Ų6550%0.538%0.375SS..THydrogen-bonded Turntrans-89.92.8176.8-69.9-58.2123.100114H509 I513 T527 N529H509-E511 PolarHBondContact O-N 2.93Å; H509-E511 VanDerWaalsContact O-N 3.11Å; E511-I513 PolarHBondContact O-N 3.5Å; E511-T527 WeakPolarHBondContact O-CG2 2.96Å; E511-N529 PolarHBondContact OE1-ND2 3.12Å
512A95.9Very high89.2Confident13 Ų1368.8 Ų68.811%0.10740%0.401CS..PPolyproline II helixtrans-58.4130.4175.700000110.6H509 T527 I528 P606 Q607 V608H509-A512 HydrophobicContact CB-CB 4.35Å; H509-A512 WeakPolarHBondContact O-CB 3.11Å; H509-A512 PolarHBondContact O-N 3.21Å; A512-T527 VanDerWaalsContact O-CA 3.28Å; A512-T527 WeakPolarHBondContact O-CA 3Å; A512-I528 HydrophobicContact CB-CD1 4.24Å; A512-I528 PolarHBondContact O-N 3.22Å; A512-P606 HydrophobicContact CB-CB 3.8Å; A512-Q607 WeakPolarHBondContact CB-O 3.24Å; A512-V608 HydrophobicContact CB-CG2 4.4Å
513I92.7Very high87.9Confident73 Ų7367.9 Ų67.937%0.37441%0.414SS..BIsolated β-bridgetrans-93.9133.2-170.7-59.9171000109.9E511 I526 T527E511-I513 PolarHBondContact O-N 3.5Å; I513-I526 WeakPolarHBondContact CA-O 3.16Å; I513-T527 HydrophobicContact CG1-CG2 4.07Å
514M92.3Very high87Confident4 Ų469.4 Ų69.42%0.0242%0.42CS..SBendtrans-85.9161.7168.7-67.6-173.866.600111.8F501 K516 I526 I531 F585 P606F501-M514 HydrophobicContact CE2-SD 4.19Å; F501-M514 HydrophobicContact CZ-CE 4.47Å; F501-M514 HydrophobicContact CZ-SD 4.1Å; M514-K516 PolarHBondContact O-N 3.03Å; M514-I526 HydrophobicContact CB-CG2 4.37Å; M514-I526 PolarHBondContact N-O 3.22Å; M514-I526 HydrophobicContact SD-CG2 4.39Å; M514-I531 HydrophobicContact SD-CD1 3.27Å; M514-I531 WeakPolarHBondContact SD-CD1 3.32Å; M514-F585 HydrophobicContact CE-CB 4.2Å; M514-F585 HydrophobicContact CE-CD1 3.78Å; M514-F585 HydrophobicContact CE-CG 4.27Å; M514-P606 HydrophobicContact CG-CB 4.33Å; M514-P606 HydrophobicContact CG-CG 3.59Å; M514-P606 HydrophobicContact SD-CG 4.14Å
515F88.2Confident86.3Confident10 Ų1074.5 Ų74.54%0.04444%0.437CS..SBendtrans61.828.5176-50-64.2000113.6G517 L518 M521 I526 F584 F585 F604F515-G517 PolarHBondContact O-N 2.8Å; F515-L518 HydrophobicContact CB-CB 4.4Å; F515-L518 HydrophobicContact CB-CD1 4.04Å; F515-L518 HydrophobicContact CD1-CD1 4.03Å; F515-L518 HydrophobicContact CG-CD1 4.49Å; F515-L518 WeakPolarHBondContact O-CB 3.43Å; F515-L518 PolarHBondContact O-N 2.9Å; F515-L518 VanDerWaalsContact O-N 3.09Å; F515-M521 HydrophobicContact CB-CB 3.82Å; F515-M521 HydrophobicContact CB-CG 4.38Å; F515-M521 HydrophobicContact CD2-CE 3.81Å; F515-M521 HydrophobicContact CE2-CE 3.9Å; F515-M521 HydrophobicContact CG-CB 4.35Å; F515-M521 HydrophobicContact CG-CE 4.28Å; F515-M521 HydrophobicContact CZ-CE 4.43Å; F515-I526 HydrophobicContact CD2-CB 4.42Å; F515-I526 HydrophobicContact CD2-CD1 3.91Å; F515-I526 HydrophobicContact CE2-CD1 3.73Å; F515-I526 HydrophobicContact CE2-CG2 4.49Å; F515-F584 HydrophobicContact CE2-CE1 4.03Å; F515-F584 HydrophobicContact CZ-CD1 4.24Å; F515-F584 HydrophobicContact CZ-CE1 4.17Å; F515-F584 WeakPolarHBondContact CZ-O 3.29Å; F515-F585 HydrophobicContact CE1-CB 4.03Å; F515-F585 HydrophobicContact CZ-CB 4.1Å; F515-F604 HydrophobicContact CD1-CB 3.96Å; F515-F604 PolarHBondContact N-O 3.25Å
516K83.7Confident86Confident132 Ų13271.8 Ų71.857%0.57443%0.425SS*.THydrogen-bonded Turntrans-60.1130.2173.7-166.5-179.5-179.2-174.30109M514 Q607M514-K516 PolarHBondContact O-N 3.03Å; K516-Q607 HydrophobicContact CB-CG 4.13Å; K516-Q607 HydrophobicContact CD-CG 3.8Å
517G78.5Confident85.9Confident73 Ų7363.3 Ų63.375%0.75339%0.389SS*.THydrogen-bonded Turntrans95.9-10.1-174.400000114.8F515F515-G517 PolarHBondContact O-N 2.8Å
518L79Confident85.9Confident28 Ų2858.8 Ų58.815%0.14737%0.365CS..  trans-10492.4-178.4-55.3177.7000111.3F515 G520 M521 S522 F604 I635F515-L518 HydrophobicContact CB-CB 4.4Å; F515-L518 HydrophobicContact CB-CD1 4.04Å; F515-L518 HydrophobicContact CD1-CD1 4.03Å; F515-L518 HydrophobicContact CG-CD1 4.49Å; F515-L518 WeakPolarHBondContact O-CB 3.43Å; F515-L518 PolarHBondContact O-N 2.9Å; F515-L518 VanDerWaalsContact O-N 3.09Å; L518-G520 PolarHBondContact O-N 3.02Å; L518-M521 HydrophobicContact CB-CB 4.36Å; L518-M521 PolarHBondContact O-N 2.93Å; L518-S522 PolarHBondContact O-N 3.01Å; L518-S522 PolarHBondContact O-OG 2.85Å; L518-F604 HydrophobicContact CD1-CB 4.39Å; L518-F604 HydrophobicContact CD1-CD1 4.03Å; L518-F604 HydrophobicContact CD1-CD2 4.34Å; L518-F604 HydrophobicContact CD1-CE1 4.38Å; L518-F604 HydrophobicContact CD1-CG 4Å; L518-F604 HydrophobicContact CD2-CE1 4.17Å; L518-F604 HydrophobicContact CD2-CZ 4.42Å; L518-F604 HydrophobicContact CG-CD1 4.23Å; L518-F604 HydrophobicContact CG-CE1 4.33Å; L518-I635 HydrophobicContact CD1-CD1 3.37Å; L518-I635 HydrophobicContact CD1-CG1 4.09Å; L518-I635 HydrophobicContact CD1-CG2 4.07Å; L518-I635 HydrophobicContact CD2-CG2 3.59Å
519G68.7Low85.9Confident64 Ų6458.1 Ų58.166%0.6635%0.346SS*.THydrogen-bonded Turntrans-51.8-34.1-172.300000115.7M521G519-M521 VanDerWaalsContact C-N 3.28Å; G519-M521 PolarHBondContact O-N 3.12Å
520G70.4Confident85.9Confident69 Ų6960.9 Ų60.971%0.71136%0.357SS*.THydrogen-bonded Turntrans-72.4-15.3177.100000115.1L518L518-G520 PolarHBondContact O-N 3.02Å
521M73.7Confident85.9Confident53 Ų5360.8 Ų60.826%0.26136%0.355SS..THydrogen-bonded Turntrans-105-15.6179.1-65.2-65-79.300112.4F515 L518 G519 S523 K524 I526F515-M521 HydrophobicContact CB-CB 3.82Å; F515-M521 HydrophobicContact CB-CG 4.38Å; F515-M521 HydrophobicContact CD2-CE 3.81Å; F515-M521 HydrophobicContact CE2-CE 3.9Å; F515-M521 HydrophobicContact CG-CB 4.35Å; F515-M521 HydrophobicContact CG-CE 4.28Å; F515-M521 HydrophobicContact CZ-CE 4.43Å; L518-M521 HydrophobicContact CB-CB 4.36Å; L518-M521 PolarHBondContact O-N 2.93Å; G519-M521 VanDerWaalsContact C-N 3.28Å; G519-M521 PolarHBondContact O-N 3.12Å; M521-S523 VanDerWaalsContact C-N 3.26Å; M521-S523 PolarHBondContact O-N 2.99Å; M521-K524 HydrophobicContact CE-CD 4.09Å; M521-K524 WeakPolarHBondContact O-CB 3.23Å; M521-K524 PolarHBondContact O-N 3.02Å; M521-K524 HydrophobicContact SD-CD 3.88Å; M521-K524 PolarHBondContact SD-NZ 3.4Å; M521-K524 VanDerWaalsContact SD-NZ 3.44Å; M521-I526 HydrophobicContact CE-CD1 3.82Å
522S71.2Confident85.9Confident79 Ų7957 Ų5755%0.55234%0.339SS*.G310 helixtrans-54.7-37.4-179.7-59.30000113.5L518 K524 R525L518-S522 PolarHBondContact O-N 3.01Å; L518-S522 PolarHBondContact O-OG 2.85Å; S522-K524 VanDerWaalsContact C-N 3.27Å; S522-K524 PolarHBondContact O-N 2.97Å; S522-R525 PolarHBondContact O-N 2.83Å
523S71.3Confident86Confident110 Ų11060.6 Ų60.677%0.76936%0.363SS*.G310 helixtrans-69.2-21.5179.159.50000113.9M521M521-S523 VanDerWaalsContact C-N 3.26Å; M521-S523 PolarHBondContact O-N 2.99Å
524K79.3Confident86.3Confident110 Ų11060.1 Ų60.148%0.47836%0.361SS..G310 helixtrans-81.3-19.5179.8-62.8-179.4-176.8170.90112.9M521 S522 I526 K530M521-K524 HydrophobicContact CE-CD 4.09Å; M521-K524 WeakPolarHBondContact O-CB 3.23Å; M521-K524 PolarHBondContact O-N 3.02Å; M521-K524 HydrophobicContact SD-CD 3.88Å; M521-K524 PolarHBondContact SD-NZ 3.4Å; M521-K524 VanDerWaalsContact SD-NZ 3.44Å; S522-K524 VanDerWaalsContact C-N 3.27Å; S522-K524 PolarHBondContact O-N 2.97Å; K524-I526 HydrophobicContact CB-CD1 4.22Å; K524-I526 HydrophobicContact CB-CG1 3.97Å; K524-I526 HydrophobicContact CD-CD1 4.46Å; K524-I526 PolarHBondContact O-N 2.89Å; K524-K530 PolarHBondContact O-NZ 3Å
525R84.4Confident86.5Confident161 Ų16167.6 Ų67.661%0.60840%0.396SS*.  trans38.864.9-179.4-167.5176.7172.6171.5-2.9111.9S522 T527S522-R525 PolarHBondContact O-N 2.83Å; R525-T527 PolarHBondContact O-N 3.06Å
526I92.3Very high86.9Confident20 Ų2070.2 Ų70.210%0.10342%0.415CS..  trans-80.6117-177.7-60.7173.3000108.3I513 M514 F515 M521 K524 I531 F584I513-I526 WeakPolarHBondContact CA-O 3.16Å; M514-I526 HydrophobicContact CB-CG2 4.37Å; M514-I526 PolarHBondContact N-O 3.22Å; M514-I526 HydrophobicContact SD-CG2 4.39Å; F515-I526 HydrophobicContact CD2-CB 4.42Å; F515-I526 HydrophobicContact CD2-CD1 3.91Å; F515-I526 HydrophobicContact CE2-CD1 3.73Å; F515-I526 HydrophobicContact CE2-CG2 4.49Å; M521-I526 HydrophobicContact CE-CD1 3.82Å; K524-I526 HydrophobicContact CB-CD1 4.22Å; K524-I526 HydrophobicContact CB-CG1 3.97Å; K524-I526 HydrophobicContact CD-CD1 4.46Å; K524-I526 PolarHBondContact O-N 2.89Å; I526-I531 HydrophobicContact CG2-CD1 3.83Å; I526-I531 HydrophobicContact CG2-CG1 3.97Å; I526-F584 HydrophobicContact CD1-CZ 4.36Å; I526-F584 HydrophobicContact CG2-CE1 4.24Å; I526-F584 HydrophobicContact CG2-CZ 4.17Å
527T95.8Very high87.6Confident7 Ų764 Ų644%0.04339%0.389CS..BIsolated β-bridgetrans-117.7165.2178.662.90000111.2E511 A512 I513 R525 N529 K530 I531E511-T527 WeakPolarHBondContact O-CG2 2.96Å; A512-T527 VanDerWaalsContact O-CA 3.28Å; A512-T527 WeakPolarHBondContact O-CA 3Å; I513-T527 HydrophobicContact CG1-CG2 4.07Å; R525-T527 PolarHBondContact O-N 3.06Å; T527-N529 VanDerWaalsContact C-N 3.3Å; T527-N529 PolarHBondContact O-N 3.31Å; T527-K530 PolarHBondContact O-N 3.15Å; T527-K530 VanDerWaalsContact O-N 3.15Å; T527-K530 PolarHBondContact OG1-N 2.82Å; T527-I531 PolarHBondContact O-N 3.31Å; T527-I531 VanDerWaalsContact O-N 3.08Å
528I97.5Very high88.5Confident0 Ų061.8 Ų61.80%036%0.36CS..Hα-helixtrans-53.7-48.4172.2-70.7177.5000110.8F501 K504 Q505 G510 A512 K530 I531 L532 P606F501-I528 HydrophobicContact CB-CG2 4.13Å; F501-I528 HydrophobicContact CD1-CD1 4.5Å; F501-I528 HydrophobicContact CD1-CG1 4.48Å; F501-I528 HydrophobicContact CG-CG1 4.39Å; F501-I528 WeakPolarHBondContact O-CG2 3.43Å; K504-I528 HydrophobicContact CB-CD1 3.74Å; Q505-I528 HydrophobicContact CB-CG2 3.95Å; G510-I528 WeakPolarHBondContact O-CB 3.16Å; G510-I528 PolarHBondContact O-N 2.92Å; A512-I528 HydrophobicContact CB-CD1 4.24Å; A512-I528 PolarHBondContact O-N 3.22Å; I528-K530 VanDerWaalsContact C-N 3.28Å; I528-K530 PolarHBondContact O-N 3.28Å; I528-I531 PolarHBondContact O-N 2.91Å; I528-I531 VanDerWaalsContact O-N 3.14Å; I528-L532 HydrophobicContact CG2-CD1 3.59Å; I528-L532 HydrophobicContact CG2-CG 4.13Å; I528-L532 WeakPolarHBondContact O-CG 3.39Å; I528-L532 PolarHBondContact O-N 3.18Å; I528-P606 HydrophobicContact CD1-CB 3.76Å; I528-P606 HydrophobicContact CD1-CG 3.85Å; I528-P606 HydrophobicContact CG1-CB 3.86Å; I528-P606 HydrophobicContact CG1-CG 3.6Å
529N98Very high89.5Confident49 Ų4966.4 Ų66.426%0.26238%0.381SS..Hα-helixtrans-57.1-41.1178.2-78.6-19.9000112.2Q505 G510 E511 T527 S533Q505-N529 PolarHBondContact NE2-OD1 2.86Å; G510-N529 WeakPolarHBondContact CA-OD1 3.36Å; G510-N529 WeakPolarHBondContact O-CB 3.37Å; G510-N529 VanDerWaalsContact O-CG 3.25Å; G510-N529 PolarHBondContact O-N 3.46Å; G510-N529 PolarHBondContact O-ND2 3.34Å; E511-N529 PolarHBondContact OE1-ND2 3.12Å; T527-N529 VanDerWaalsContact C-N 3.3Å; T527-N529 PolarHBondContact O-N 3.31Å; N529-S533 VanDerWaalsContact O-CB 3.31Å; N529-S533 WeakPolarHBondContact O-CB 3.29Å; N529-S533 PolarHBondContact O-N 3.16Å; N529-S533 PolarHBondContact O-OG 3.24Å
530K96.6Very high90.9Very high111 Ų11164.6 Ų64.648%0.48336%0.356SS..Hα-helixtrans-68.9-33.4179.6-170.9171.6-179.2172.80112.6K524 T527 I528K524-K530 PolarHBondContact O-NZ 3Å; T527-K530 PolarHBondContact O-N 3.15Å; T527-K530 VanDerWaalsContact O-N 3.15Å; T527-K530 PolarHBondContact OG1-N 2.82Å; I528-K530 VanDerWaalsContact C-N 3.28Å; I528-K530 PolarHBondContact O-N 3.28Å
531I97.1Very high92.2Very high3 Ų361.3 Ų61.32%0.01532%0.322CS..Hα-helixtrans-72.4-48.5175.5-69171.2000110.4Y498 F501 M514 I526 T527 I528 S533 N534 L537 L572 F584Y498-I531 HydrophobicContact CE1-CG2 4.49Å; F501-I531 HydrophobicContact CD2-CD1 4.49Å; F501-I531 HydrophobicContact CD2-CG2 4.24Å; F501-I531 HydrophobicContact CE2-CD1 3.96Å; F501-I531 HydrophobicContact CE2-CG2 4.47Å; M514-I531 HydrophobicContact SD-CD1 3.27Å; M514-I531 WeakPolarHBondContact SD-CD1 3.32Å; I526-I531 HydrophobicContact CG2-CD1 3.83Å; I526-I531 HydrophobicContact CG2-CG1 3.97Å; T527-I531 PolarHBondContact O-N 3.31Å; T527-I531 VanDerWaalsContact O-N 3.08Å; I528-I531 PolarHBondContact O-N 2.91Å; I528-I531 VanDerWaalsContact O-N 3.14Å; I531-S533 VanDerWaalsContact C-N 3.32Å; I531-S533 PolarHBondContact O-N 2.9Å; I531-N534 PolarHBondContact O-N 3.42Å; I531-L537 HydrophobicContact CG2-CD2 4.14Å; I531-L572 HydrophobicContact CD1-CD2 4.49Å; I531-L572 HydrophobicContact CG2-CD2 4.04Å; I531-F584 HydrophobicContact CD1-CE1 4.07Å; I531-F584 HydrophobicContact CD1-CZ 4.37Å; I531-F584 HydrophobicContact CG1-CZ 4.37Å
532L97.9Very high93.4Very high28 Ų2863.3 Ų63.315%0.14733%0.333CS..Hα-helixtrans-69.6-27.4-175.9-65.9180000113.6Y498 F501 R502 Q505 I528Y498-L532 HydrophobicContact CD1-CD2 3.64Å; Y498-L532 HydrophobicContact CE1-CD2 4.02Å; F501-L532 HydrophobicContact CB-CD1 4.4Å; F501-L532 HydrophobicContact CB-CD2 4.1Å; F501-L532 HydrophobicContact CB-CG 4.43Å; R502-L532 HydrophobicContact CG-CD1 4.11Å; R502-L532 HydrophobicContact CG-CD2 3.98Å; Q505-L532 HydrophobicContact CB-CD1 3.88Å; Q505-L532 HydrophobicContact CG-CD1 4.28Å; I528-L532 HydrophobicContact CG2-CD1 3.59Å; I528-L532 HydrophobicContact CG2-CG 4.13Å; I528-L532 WeakPolarHBondContact O-CG 3.39Å; I528-L532 PolarHBondContact O-N 3.18Å
533S97.7Very high94.7Very high89 Ų8964.1 Ų64.162%0.62232%0.324SS*.THydrogen-bonded Turntrans-86.1-4.3175.656.90000114.2N529 I531 E535N529-S533 VanDerWaalsContact O-CB 3.31Å; N529-S533 WeakPolarHBondContact O-CB 3.29Å; N529-S533 PolarHBondContact O-N 3.16Å; N529-S533 PolarHBondContact O-OG 3.24Å; I531-S533 VanDerWaalsContact C-N 3.32Å; I531-S533 PolarHBondContact O-N 2.9Å; S533-E535 PolarHBondContact O-N 2.86Å
534N97.8Very high96Very high62 Ų6258.9 Ų58.933%0.33229%0.288SS..  trans-86.193.8177.4-173-20000110.9I531 S536 L537 V538I531-N534 PolarHBondContact O-N 3.42Å; N534-S536 VanDerWaalsContact C-N 3.35Å; N534-S536 PolarHBondContact O-N 2.88Å; N534-S536 PolarHBondContact OD1-N 3.03Å; N534-S536 PolarHBondContact OD1-OG 2.83Å; N534-L537 HydrophobicContact CB-CB 3.97Å; N534-L537 PolarHBondContact O-N 3.31Å; N534-L537 PolarHBondContact OD1-N 2.9Å; N534-V538 WeakPolarHBondContact O-CG2 3.14Å; N534-V538 PolarHBondContact O-N 3.15Å; N534-V538 VanDerWaalsContact O-N 3.12Å
535E97.6Very high97Very high162 Ų16254.4 Ų54.476%0.75727%0.269SS*.Hα-helixtrans-58.8-39.8-175.8-64.8179.2-17400113.6S533 V538 Q539S533-E535 PolarHBondContact O-N 2.86Å; E535-V538 WeakPolarHBondContact O-CB 3.47Å; E535-V538 PolarHBondContact O-N 2.94Å; E535-Q539 WeakPolarHBondContact O-CG 3.38Å; E535-Q539 PolarHBondContact O-N 3.05Å
536S97.6Very high97.7Very high64 Ų6455.3 Ų55.345%0.44827%0.272SS..Hα-helixtrans-68.2-42.3179.561.90000111.6N534 V538 Q539 E540N534-S536 VanDerWaalsContact C-N 3.35Å; N534-S536 PolarHBondContact O-N 2.88Å; N534-S536 PolarHBondContact OD1-N 3.03Å; N534-S536 PolarHBondContact OD1-OG 2.83Å; S536-V538 VanDerWaalsContact C-N 3.25Å; S536-V538 PolarHBondContact O-N 3.23Å; S536-Q539 PolarHBondContact O-N 2.8Å; S536-Q539 VanDerWaalsContact O-N 3.16Å; S536-E540 VanDerWaalsContact O-CG 3.23Å; S536-E540 WeakPolarHBondContact O-CG 3.41Å; S536-E540 PolarHBondContact O-N 2.84Å
537L97.3Very high98Very high3 Ų354.6 Ų54.62%0.01627%0.269CS..Hα-helixtrans-60.6-36.8175.8-173.166.4000111.7Y498 I531 N534 N541 L572 F573 K574 F584Y498-L537 PolarHBondContact OH-O 2.85Å; I531-L537 HydrophobicContact CG2-CD2 4.14Å; N534-L537 HydrophobicContact CB-CB 3.97Å; N534-L537 PolarHBondContact O-N 3.31Å; N534-L537 PolarHBondContact OD1-N 2.9Å; L537-N541 PolarHBondContact O-N 2.87Å; L537-N541 PolarHBondContact O-ND2 3.32Å; L537-L572 HydrophobicContact CD2-CD2 4.49Å; L537-F573 WeakPolarHBondContact CD1-O 3.16Å; L537-K574 HydrophobicContact CD1-CD 3.77Å; L537-F584 HydrophobicContact CD1-CD2 4.33Å; L537-F584 HydrophobicContact CD2-CD2 4.43Å; L537-F584 HydrophobicContact CD2-CE2 4.05Å
538V98.3Very high98.1Very high25 Ų2554.3 Ų54.315%0.15227%0.267CS..Hα-helixtrans-63.1-49174.1173.60000110.9Y498 N534 E535 S536 E540 N541 L542Y498-V538 HydrophobicContact CE1-CG2 3.6Å; Y498-V538 WeakPolarHBondContact OH-CA 3.2Å; Y498-V538 PolarHBondContact OH-N 2.73Å; N534-V538 WeakPolarHBondContact O-CG2 3.14Å; N534-V538 PolarHBondContact O-N 3.15Å; N534-V538 VanDerWaalsContact O-N 3.12Å; E535-V538 WeakPolarHBondContact O-CB 3.47Å; E535-V538 PolarHBondContact O-N 2.94Å; S536-V538 VanDerWaalsContact C-N 3.25Å; S536-V538 PolarHBondContact O-N 3.23Å; V538-E540 VanDerWaalsContact C-N 3.35Å; V538-E540 PolarHBondContact O-N 2.89Å; V538-N541 PolarHBondContact O-N 2.8Å; V538-L542 HydrophobicContact CG1-CD1 4.05Å; V538-L542 HydrophobicContact CG1-CG 4.41Å; V538-L542 WeakPolarHBondContact O-CG 3.47Å; V538-L542 PolarHBondContact O-N 2.7Å
539Q98.4Very high98.2Very high126 Ų12657.1 Ų57.159%0.58928%0.282SS*.Hα-helixtrans-63.3-40.8179.3-65.5-54-46.800112.2E535 S536 N541 L542 Y543E535-Q539 WeakPolarHBondContact O-CG 3.38Å; E535-Q539 PolarHBondContact O-N 3.05Å; S536-Q539 PolarHBondContact O-N 2.8Å; S536-Q539 VanDerWaalsContact O-N 3.16Å; Q539-N541 PolarHBondContact O-N 2.97Å; Q539-L542 PolarHBondContact O-N 2.88Å; Q539-Y543 PolarHBondContact O-N 2.96Å; Q539-Y543 VanDerWaalsContact O-N 3.09Å
540E98.5Very high98.2Very high26 Ų2659.5 Ų59.512%0.12129%0.287CS..Hα-helixtrans-57.6-48.5174.5-70.5170.4-162.400111.3S536 V538 Y543 F544 K574 M575S536-E540 VanDerWaalsContact O-CG 3.23Å; S536-E540 WeakPolarHBondContact O-CG 3.41Å; S536-E540 PolarHBondContact O-N 2.84Å; V538-E540 VanDerWaalsContact C-N 3.35Å; V538-E540 PolarHBondContact O-N 2.89Å; E540-Y543 WeakPolarHBondContact O-CB 3.38Å; E540-Y543 PolarHBondContact O-N 2.82Å; E540-F544 HydrophobicContact CB-CE2 3.96Å; E540-F544 WeakPolarHBondContact O-CD2 3.22Å; E540-F544 VanDerWaalsContact O-CG 3.29Å; E540-F544 WeakPolarHBondContact O-CG 3.28Å; E540-F544 PolarHBondContact O-N 3.23Å; E540-K574 IonicContact OE1-NZ 3.66Å; E540-K574 PolarHBondContact OE1-NZ 2.99Å; E540-K574 WeakPolarHBondContact OE2-CD 3.33Å; E540-K574 IonicContact OE2-NZ 3.91Å; E540-K574 PolarHBondContact OE2-NZ 3.32Å; E540-M575 HydrophobicContact CB-CB 4.25Å; E540-M575 HydrophobicContact CB-CE 4.44Å; E540-M575 HydrophobicContact CG-CB 3.64Å; E540-M575 HydrophobicContact CG-CE 4.18Å; E540-M575 HydrophobicContact CG-SD 4.22Å; E540-M575 VanDerWaalsContact OE2-CB 3.31Å; E540-M575 WeakPolarHBondContact OE2-CB 3.38Å; E540-M575 PolarHBondContact OE2-N 2.71Å
541N98.6Very high98.3Very high0 Ų054.2 Ų54.20%026%0.264CS..Hα-helixtrans-74.5-29-178-79.2-85.2000113.4T494 Y498 L537 V538 Q539 Y543 F544 Q545 L572 F573T494-N541 HydrophobicContact CG2-CB 4.19Å; T494-N541 WeakPolarHBondContact CG2-OD1 3.37Å; T494-N541 PolarHBondContact OG1-O 2.91Å; Y498-N541 HydrophobicContact CD2-CB 4.46Å; Y498-N541 HydrophobicContact CE2-CB 3.6Å; L537-N541 PolarHBondContact O-N 2.87Å; L537-N541 PolarHBondContact O-ND2 3.32Å; V538-N541 PolarHBondContact O-N 2.8Å; Q539-N541 PolarHBondContact O-N 2.97Å; N541-Y543 VanDerWaalsContact C-N 3.29Å; N541-Y543 PolarHBondContact O-N 3.11Å; N541-F544 PolarHBondContact O-N 2.6Å; N541-Q545 WeakPolarHBondContact O-CB 3.49Å; N541-Q545 PolarHBondContact O-N 2.77Å; N541-L572 HydrophobicContact CB-CD1 4.37Å; N541-L572 WeakPolarHBondContact OD1-CD1 3.42Å; N541-F573 PolarHBondContact ND2-O 3.19Å; N541-F573 PolarHBondContact OD1-N 3Å; N541-F573 PolarHBondContact OD1-O 2.96Å
542L98.8Very high98.4Very high95 Ų9555.1 Ų55.150%0.49727%0.268SS..Hα-helixtrans-60.8-41.8167.9-74.3172.3000111.1V538 Q539 Q545 R546V538-L542 HydrophobicContact CG1-CD1 4.05Å; V538-L542 HydrophobicContact CG1-CG 4.41Å; V538-L542 WeakPolarHBondContact O-CG 3.47Å; V538-L542 PolarHBondContact O-N 2.7Å; Q539-L542 PolarHBondContact O-N 2.88Å; L542-Q545 PolarHBondContact O-N 2.88Å; L542-R546 WeakPolarHBondContact O-CG 3.18Å; L542-R546 PolarHBondContact O-N 2.77Å
543Y98.7Very high98.5Very high95 Ų9558.4 Ų58.437%0.37329%0.285SS..Hα-helixtrans-63.2-47.8172.8166.2-105.7000111.8Q539 E540 N541 Q545 R546 C547 M575Q539-Y543 PolarHBondContact O-N 2.96Å; Q539-Y543 VanDerWaalsContact O-N 3.09Å; E540-Y543 WeakPolarHBondContact O-CB 3.38Å; E540-Y543 PolarHBondContact O-N 2.82Å; N541-Y543 VanDerWaalsContact C-N 3.29Å; N541-Y543 PolarHBondContact O-N 3.11Å; Y543-Q545 VanDerWaalsContact C-N 3.3Å; Y543-Q545 PolarHBondContact O-N 2.97Å; Y543-R546 WeakPolarHBondContact O-CA 3.22Å; Y543-R546 VanDerWaalsContact O-CB 3.31Å; Y543-R546 WeakPolarHBondContact O-CB 3.33Å; Y543-R546 PolarHBondContact O-N 3.02Å; Y543-C547 PolarHBondContact O-N 3.47Å; Y543-M575 HydrophobicContact CD1-CE 3.72Å; Y543-M575 HydrophobicContact CE1-CE 4.11Å
544F98.7Very high98.5Very high0 Ų055.8 Ų55.80%026%0.264CS..Hα-helixtrans-62.6-35.3178.3-58.8-41.4000112.9W466 E540 N541 R546 C547 L548 F573 M575 A581W466-F544 HydrophobicContact CE3-CB 4.3Å; W466-F544 AromaticContact CE3-CD1 3.67Å; W466-F544 HydrophobicContact CE3-CD1 3.67Å; W466-F544 HydrophobicContact CE3-CE1 4.36Å; W466-F544 HydrophobicContact CE3-CG 4.23Å; W466-F544 HydrophobicContact CZ3-CB 3.93Å; W466-F544 HydrophobicContact CZ3-CD1 4.01Å; W466-F544 HydrophobicContact CZ3-CG 4.1Å; E540-F544 HydrophobicContact CB-CE2 3.96Å; E540-F544 WeakPolarHBondContact O-CD2 3.22Å; E540-F544 VanDerWaalsContact O-CG 3.29Å; E540-F544 WeakPolarHBondContact O-CG 3.28Å; E540-F544 PolarHBondContact O-N 3.23Å; N541-F544 PolarHBondContact O-N 2.6Å; F544-R546 VanDerWaalsContact C-N 3.26Å; F544-R546 PolarHBondContact O-N 2.76Å; F544-C547 WeakPolarHBondContact O-CB 3.31Å; F544-C547 PolarHBondContact O-N 3.03Å; F544-C547 VanDerWaalsContact O-N 3.1Å; F544-L548 WeakPolarHBondContact O-CG 3.32Å; F544-L548 PolarHBondContact O-N 3.17Å; F544-F573 HydrophobicContact CB-CD2 4.39Å; F544-F573 HydrophobicContact CD2-CB 3.59Å; F544-F573 HydrophobicContact CD2-CD2 4.48Å; F544-F573 HydrophobicContact CD2-CG 4.36Å; F544-F573 HydrophobicContact CE2-CB 3.81Å; F544-F573 HydrophobicContact CG-CB 4.42Å; F544-M575 HydrophobicContact CE1-CE 3.85Å; F544-M575 HydrophobicContact CE2-CB 4.28Å; F544-M575 HydrophobicContact CZ-CB 3.78Å; F544-M575 HydrophobicContact CZ-CE 3.69Å; F544-M575 HydrophobicContact CZ-CG 4.09Å; F544-A581 HydrophobicContact CD1-CB 3.8Å; F544-A581 HydrophobicContact CD2-CB 4.16Å; F544-A581 HydrophobicContact CE1-CB 3.55Å; F544-A581 HydrophobicContact CE2-CB 3.92Å; F544-A581 HydrophobicContact CG-CB 4.1Å; F544-A581 HydrophobicContact CZ-CB 3.61Å
545Q98.9Very high98.6Very high16 Ų1652.9 Ų52.98%0.07525%0.249CC..Hα-helixtrans-58.8-38.9171-167.961.155.400111.5T494 S495 N541 L542 Y543 C547 L548 D549T494-Q545 PolarHBondContact OG1-OE1 2.97Å; S495-Q545 PolarHBondContact OG-OE1 2.86Å; N541-Q545 WeakPolarHBondContact O-CB 3.49Å; N541-Q545 PolarHBondContact O-N 2.77Å; L542-Q545 PolarHBondContact O-N 2.88Å; Y543-Q545 VanDerWaalsContact C-N 3.3Å; Y543-Q545 PolarHBondContact O-N 2.97Å; Q545-C547 VanDerWaalsContact C-N 3.31Å; Q545-C547 PolarHBondContact O-N 2.7Å; Q545-L548 WeakPolarHBondContact O-CB 3.06Å; Q545-L548 PolarHBondContact O-N 2.86Å; Q545-D549 PolarHBondContact NE2-OD1 2.89Å; Q545-D549 WeakPolarHBondContact O-CB 3.26Å; Q545-D549 PolarHBondContact O-N 2.94Å
546R98.8Very high98.6Very high181 Ų18147.7 Ų47.768%0.68322%0.223SC*.Hα-helixtrans-65.2-34.3175.8-64.1-64.1-60-84.2-4.3112.5L542 Y543 F544 W550L542-R546 WeakPolarHBondContact O-CG 3.18Å; L542-R546 PolarHBondContact O-N 2.77Å; Y543-R546 WeakPolarHBondContact O-CA 3.22Å; Y543-R546 VanDerWaalsContact O-CB 3.31Å; Y543-R546 WeakPolarHBondContact O-CB 3.33Å; Y543-R546 PolarHBondContact O-N 3.02Å; F544-R546 VanDerWaalsContact C-N 3.26Å; F544-R546 PolarHBondContact O-N 2.76Å; R546-W550 WeakPolarHBondContact O-CB 3.49Å; R546-W550 PolarHBondContact O-N 2.95Å
547C98.8Very high98.7Very high5 Ų550.9 Ų50.93%0.03423%0.229CC..Hα-helixtrans-65.8-42.8172.5-56.30000111.5Y463 W466 Y543 F544 Q545 W550 N551Y463-C547 HydrophobicContact CD1-CB 4.24Å; Y463-C547 HydrophobicContact CE1-CB 4.02Å; W466-C547 HydrophobicContact CB-CB 4.2Å; W466-C547 HydrophobicContact CD2-CB 3.6Å; W466-C547 HydrophobicContact CE3-CB 4.2Å; W466-C547 HydrophobicContact CG-CB 3.58Å; Y543-C547 PolarHBondContact O-N 3.47Å; F544-C547 WeakPolarHBondContact O-CB 3.31Å; F544-C547 PolarHBondContact O-N 3.03Å; F544-C547 VanDerWaalsContact O-N 3.1Å; Q545-C547 VanDerWaalsContact C-N 3.31Å; Q545-C547 PolarHBondContact O-N 2.7Å; C547-W550 PolarHBondContact O-N 3.16Å; C547-N551 PolarHBondContact O-N 2.68Å; C547-N551 PolarHBondContact O-ND2 2.9Å
548L98.9Very high98.7Very high1 Ų152.8 Ų52.81%0.00524%0.238CC..Hα-helixtrans-63.1-45.9175.7-67.4161.5000111.5W466 F475 M491 A492 T494 F544 Q545 W550 N551 R552 F573W466-L548 HydrophobicContact CH2-CD2 3.89Å; W466-L548 HydrophobicContact CH2-CG 4.06Å; W466-L548 HydrophobicContact CZ2-CD2 3.74Å; W466-L548 HydrophobicContact CZ2-CG 4.1Å; F475-L548 HydrophobicContact CB-CD2 3.57Å; F475-L548 HydrophobicContact CD2-CD2 4.15Å; F475-L548 HydrophobicContact CG-CD2 4.1Å; M491-L548 WeakPolarHBondContact CE-O 3.44Å; A492-L548 HydrophobicContact CB-CD2 4.08Å; A492-L548 WeakPolarHBondContact O-CD1 3.22Å; T494-L548 HydrophobicContact CG2-CD1 4.2Å; F544-L548 WeakPolarHBondContact O-CG 3.32Å; F544-L548 PolarHBondContact O-N 3.17Å; Q545-L548 WeakPolarHBondContact O-CB 3.06Å; Q545-L548 PolarHBondContact O-N 2.86Å; L548-W550 VanDerWaalsContact C-N 3.33Å; L548-W550 PolarHBondContact O-N 2.75Å; L548-N551 WeakPolarHBondContact O-CB 3.37Å; L548-N551 PolarHBondContact O-N 2.67Å; L548-R552 PolarHBondContact O-N 2.93Å; L548-F573 HydrophobicContact CD1-CE2 4.33Å
549D98.9Very high98.8Very high58 Ų5851.8 Ų51.831%0.3123%0.232SC..Hα-helixtrans-64.7-37.5179.4-62.5-17.9000111.6Q545 N551 R552 D553Q545-D549 PolarHBondContact NE2-OD1 2.89Å; Q545-D549 WeakPolarHBondContact O-CB 3.26Å; Q545-D549 PolarHBondContact O-N 2.94Å; D549-N551 VanDerWaalsContact C-N 3.33Å; D549-N551 PolarHBondContact O-N 2.84Å; D549-R552 WeakPolarHBondContact O-CB 3.26Å; D549-R552 PolarHBondContact O-N 3.23Å; D549-D553 PolarHBondContact O-N 3.48Å
550W98.8Very high98.8Very high100 Ų10047.7 Ų47.738%0.37922%0.224SC..Hα-helixtrans-59.7-45.2173.5-172.294.8000111.3F435 Y463 R546 C547 L548 D553 I554F435-W550 HydrophobicContact CD1-CZ2 4.23Å; F435-W550 AromaticContact CE1-CD2 3.82Å; F435-W550 HydrophobicContact CE1-CD2 3.82Å; F435-W550 AromaticContact CE1-CE2 3.57Å; F435-W550 HydrophobicContact CE1-CE3 4.25Å; F435-W550 HydrophobicContact CE1-CG 4.29Å; F435-W550 HydrophobicContact CE1-CH2 4.23Å; F435-W550 AromaticContact CE1-CZ2 3.8Å; F435-W550 HydrophobicContact CE1-CZ2 3.8Å; F435-W550 HydrophobicContact CE1-CZ3 4.44Å; F435-W550 AromaticContact CE1-NE1 3.85Å; F435-W550 HydrophobicContact CZ-CD2 4.38Å; F435-W550 HydrophobicContact CZ-CG 4.44Å; Y463-W550 VanDerWaalsContact CB-CZ3 3.45Å; Y463-W550 HydrophobicContact CG-CE3 4.47Å; R546-W550 WeakPolarHBondContact O-CB 3.49Å; R546-W550 PolarHBondContact O-N 2.95Å; C547-W550 PolarHBondContact O-N 3.16Å; L548-W550 VanDerWaalsContact C-N 3.33Å; L548-W550 PolarHBondContact O-N 2.75Å; W550-D553 PolarHBondContact O-N 2.94Å; W550-I554 HydrophobicContact CD2-CG1 4.2Å; W550-I554 HydrophobicContact CE3-CG1 3.85Å; W550-I554 HydrophobicContact CH2-CD1 4.02Å; W550-I554 HydrophobicContact CH2-CG1 3.6Å; W550-I554 HydrophobicContact CZ2-CD1 4.06Å; W550-I554 HydrophobicContact CZ2-CG1 3.96Å; W550-I554 HydrophobicContact CZ3-CB 4.47Å; W550-I554 HydrophobicContact CZ3-CD1 4.44Å; W550-I554 HydrophobicContact CZ3-CG1 3.53Å; W550-I554 WeakPolarHBondContact O-CG1 3.31Å; W550-I554 PolarHBondContact O-N 2.82Å
551N98.9Very high98.8Very high0 Ų047.2 Ų47.20%022%0.222CC..Hα-helixtrans-65.3-39.9174.7-76.9-67.9000112.2L462 Y463 F475 M491 C547 L548 D549 D553 I554 L555L462-N551 WeakPolarHBondContact CB-OD1 3.44Å; Y463-N551 PolarHBondContact N-OD1 3Å; Y463-N551 PolarHBondContact O-ND2 3.47Å; F475-N551 HydrophobicContact CE2-CB 3.73Å; F475-N551 HydrophobicContact CZ-CB 4.18Å; M491-N551 HydrophobicContact CE-CB 4.38Å; C547-N551 PolarHBondContact O-N 2.68Å; C547-N551 PolarHBondContact O-ND2 2.9Å; L548-N551 WeakPolarHBondContact O-CB 3.37Å; L548-N551 PolarHBondContact O-N 2.67Å; D549-N551 VanDerWaalsContact C-N 3.33Å; D549-N551 PolarHBondContact O-N 2.84Å; N551-D553 VanDerWaalsContact C-N 3.26Å; N551-D553 PolarHBondContact O-N 2.94Å; N551-I554 PolarHBondContact O-N 3.45Å; N551-L555 WeakPolarHBondContact O-CB 3.28Å; N551-L555 WeakPolarHBondContact O-CG 3.35Å; N551-L555 PolarHBondContact O-N 2.84Å
552R98.9Very high98.8Very high22 Ų2250.7 Ų50.78%0.08324%0.243CC..Hα-helixtrans-54.5-45.6175.5-165.6-165.9-168.289.5-8.5110.7M491 L548 D549 L555 K556 E563 I566 D568M491-R552 HydrophobicContact CE-CB 4.29Å; L548-R552 PolarHBondContact O-N 2.93Å; D549-R552 WeakPolarHBondContact O-CB 3.26Å; D549-R552 PolarHBondContact O-N 3.23Å; R552-L555 PolarHBondContact O-N 2.92Å; R552-K556 HydrophobicContact CG-CD 3.95Å; R552-K556 WeakPolarHBondContact O-CB 3.49Å; R552-K556 WeakPolarHBondContact O-CD 3.44Å; R552-K556 VanDerWaalsContact O-CG 3.23Å; R552-K556 WeakPolarHBondContact O-CG 3.36Å; R552-K556 PolarHBondContact O-N 3.37Å; R552-E563 IonicContact CZ-OE2 3.36Å; R552-E563 VanDerWaalsContact CZ-OE2 3.29Å; R552-E563 IonicContact NE-OE1 3.02Å; R552-E563 PolarHBondContact NE-OE1 2.83Å; R552-E563 IonicContact NE-OE2 2.69Å; R552-E563 PolarHBondContact NE-OE2 2.92Å; R552-E563 VanDerWaalsContact NE-OE2 3.12Å; R552-E563 IonicContact NH2-OE2 3.13Å; R552-E563 PolarHBondContact NH2-OE2 2.95Å; R552-I566 HydrophobicContact CG-CD1 3.91Å; R552-I566 VanDerWaalsContact CZ-CG2 3.5Å; R552-D568 IonicContact CZ-OD1 3.72Å; R552-D568 IonicContact CZ-OD2 2.74Å; R552-D568 IonicContact NH1-OD1 3.44Å; R552-D568 PolarHBondContact NH1-OD1 3.49Å; R552-D568 IonicContact NH1-OD2 3.25Å; R552-D568 PolarHBondContact NH1-OD2 2.87Å; R552-D568 VanDerWaalsContact NH1-OD2 3.16Å; R552-D568 IonicContact NH2-OD2 3.6Å; R552-D568 PolarHBondContact NH2-OD2 2.88Å; R552-D568 VanDerWaalsContact NH2-OD2 3.07Å
553D98.8Very high98.7Very high96 Ų9650.8 Ų50.851%0.51324%0.241SC..Hα-helixtrans-67.1-40.1179.6-73.6-20.6000112.5D549 W550 N551 K556 K557D549-D553 PolarHBondContact O-N 3.48Å; W550-D553 PolarHBondContact O-N 2.94Å; N551-D553 VanDerWaalsContact C-N 3.26Å; N551-D553 PolarHBondContact O-N 2.94Å; D553-K556 IonicContact OD1-NZ 2.77Å; D553-K557 VanDerWaalsContact O-CB 3.31Å; D553-K557 WeakPolarHBondContact O-CB 3.34Å; D553-K557 PolarHBondContact O-N 2.82Å
554I98.8Very high98.7Very high34 Ų3454.2 Ų54.217%0.17426%0.26CS..Hα-helixtrans-63.4-47.3173.4-65.3-59.9000111.2V460 L462 W550 N551 K556 K557 E558V460-I554 HydrophobicContact CG1-CG2 4.07Å; L462-I554 HydrophobicContact CD2-CB 4.44Å; L462-I554 HydrophobicContact CD2-CG2 3.79Å; W550-I554 HydrophobicContact CD2-CG1 4.2Å; W550-I554 HydrophobicContact CE3-CG1 3.85Å; W550-I554 HydrophobicContact CH2-CD1 4.02Å; W550-I554 HydrophobicContact CH2-CG1 3.6Å; W550-I554 HydrophobicContact CZ2-CD1 4.06Å; W550-I554 HydrophobicContact CZ2-CG1 3.96Å; W550-I554 HydrophobicContact CZ3-CB 4.47Å; W550-I554 HydrophobicContact CZ3-CD1 4.44Å; W550-I554 HydrophobicContact CZ3-CG1 3.53Å; W550-I554 WeakPolarHBondContact O-CG1 3.31Å; W550-I554 PolarHBondContact O-N 2.82Å; N551-I554 PolarHBondContact O-N 3.45Å; I554-K556 PolarHBondContact O-N 2.94Å; I554-K557 PolarHBondContact O-N 2.97Å; I554-E558 HydrophobicContact CG2-CG 4.06Å; I554-E558 WeakPolarHBondContact O-CB 3.5Å; I554-E558 WeakPolarHBondContact O-CG 3.48Å; I554-E558 PolarHBondContact O-N 2.78Å
555L98.9Very high98.7Very high2 Ų256.4 Ų56.41%0.0127%0.272CS..Hα-helixtrans-60.9-46.1178.8-73.2164.2000110.9L430 L462 L489 M491 N551 R552 K557 E558 L559L430-L555 HydrophobicContact CD1-CD2 3.99Å; L430-L555 HydrophobicContact CD2-CD2 4.19Å; L462-L555 HydrophobicContact CD1-CD2 4.05Å; L462-L555 HydrophobicContact CD1-CG 4.47Å; L462-L555 HydrophobicContact CD2-CD2 3.98Å; L462-L555 HydrophobicContact CD2-CG 4.04Å; L489-L555 HydrophobicContact CD1-CD1 4.33Å; L489-L555 HydrophobicContact CD2-CB 4.07Å; L489-L555 HydrophobicContact CD2-CD1 3.84Å; L489-L555 HydrophobicContact CD2-CG 4.49Å; M491-L555 HydrophobicContact SD-CD1 3.85Å; N551-L555 WeakPolarHBondContact O-CB 3.28Å; N551-L555 WeakPolarHBondContact O-CG 3.35Å; N551-L555 PolarHBondContact O-N 2.84Å; R552-L555 PolarHBondContact O-N 2.92Å; L555-K557 VanDerWaalsContact C-N 3.33Å; L555-K557 PolarHBondContact O-N 3.19Å; L555-E558 PolarHBondContact O-N 3.14Å; L555-L559 HydrophobicContact CD2-CD1 3.68Å; L555-L559 HydrophobicContact CD2-CG 4.45Å; L555-L559 WeakPolarHBondContact O-CA 3.4Å; L555-L559 WeakPolarHBondContact O-CB 3.48Å; L555-L559 WeakPolarHBondContact O-CG 3.17Å; L555-L559 PolarHBondContact O-N 2.84Å
556K98.8Very high98.7Very high53 Ų5356.2 Ų56.223%0.2327%0.272CS..Hα-helixtrans-57.4-45.8174.6-74.6162.458.9-175.30112.2R552 D553 I554 G560 L561 E563 I566R552-K556 HydrophobicContact CG-CD 3.95Å; R552-K556 WeakPolarHBondContact O-CB 3.49Å; R552-K556 WeakPolarHBondContact O-CD 3.44Å; R552-K556 VanDerWaalsContact O-CG 3.23Å; R552-K556 WeakPolarHBondContact O-CG 3.36Å; R552-K556 PolarHBondContact O-N 3.37Å; D553-K556 IonicContact OD1-NZ 2.77Å; I554-K556 PolarHBondContact O-N 2.94Å; K556-G560 CarbonylContact O-C 3.56Å; K556-G560 VanDerWaalsContact O-CA 3.26Å; K556-G560 WeakPolarHBondContact O-CA 3.36Å; K556-G560 PolarHBondContact O-N 3.29Å; K556-L561 WeakPolarHBondContact CB-O 3.2Å; K556-L561 HydrophobicContact CG-CB 4.3Å; K556-L561 PolarHBondContact O-N 2.72Å; K556-E563 VanDerWaalsContact CE-OE1 3.31Å; K556-E563 WeakPolarHBondContact CE-OE1 3.49Å; K556-E563 IonicContact NZ-OE1 2.7Å; K556-E563 PolarHBondContact NZ-OE1 2.74Å; K556-I566 HydrophobicContact CD-CD1 3.88Å; K556-I566 HydrophobicContact CG-CD1 3.72Å
557K98.8Very high98.7Very high130 Ų13048.9 Ų48.957%0.56525%0.246SC*.Hα-helixtrans-66.3-52.2179.7179.5-168.1169.1-136.40112.3V419 D553 I554 L555V419-K557 WeakPolarHBondContact CG1-O 3.48Å; D553-K557 VanDerWaalsContact O-CB 3.31Å; D553-K557 WeakPolarHBondContact O-CB 3.34Å; D553-K557 PolarHBondContact O-N 2.82Å; I554-K557 PolarHBondContact O-N 2.97Å; L555-K557 VanDerWaalsContact C-N 3.33Å; L555-K557 PolarHBondContact O-N 3.19Å
558E98.8Very high98.7Very high44 Ų4451 Ų5121%0.20626%0.257CS..Hα-helixtrans-84.5-16.1-168.6-65.1-62.215100113.3V419 R428 V460 I554 L555V419-E558 WeakPolarHBondContact CG2-O 3.14Å; R428-E558 IonicContact CZ-OE2 2.83Å; R428-E558 PolarHBondContact NH1-O 2.97Å; R428-E558 IonicContact NH1-OE2 3.14Å; R428-E558 PolarHBondContact NH1-OE2 3.11Å; R428-E558 IonicContact NH2-OE2 3.12Å; V460-E558 HydrophobicContact CG1-CB 4.03Å; V460-E558 HydrophobicContact CG1-CG 3.93Å; V460-E558 HydrophobicContact CG2-CB 4.01Å; V460-E558 HydrophobicContact CG2-CG 4.43Å; I554-E558 HydrophobicContact CG2-CG 4.06Å; I554-E558 WeakPolarHBondContact O-CB 3.5Å; I554-E558 WeakPolarHBondContact O-CG 3.48Å; I554-E558 PolarHBondContact O-N 2.78Å; L555-E558 PolarHBondContact O-N 3.14Å
559L98.8Very high98.7Very high3 Ų351 Ų512%0.01626%0.257CS..Hα-helixtrans-112.8-2.1175.5-54-179.1000113V417 R428 L430 F478 L555 L561V417-L559 WeakPolarHBondContact CB-O 3.46Å; V417-L559 HydrophobicContact CG1-CB 4.29Å; V417-L559 WeakPolarHBondContact CG1-O 3.47Å; V417-L559 HydrophobicContact CG2-CD2 4.22Å; R428-L559 HydrophobicContact CB-CD2 4.02Å; R428-L559 HydrophobicContact CG-CD2 4.31Å; L430-L559 HydrophobicContact CD2-CD2 4.5Å; F478-L559 HydrophobicContact CE1-CD1 4.33Å; F478-L559 HydrophobicContact CZ-CD1 3.84Å; L555-L559 HydrophobicContact CD2-CD1 3.68Å; L555-L559 HydrophobicContact CD2-CG 4.45Å; L555-L559 WeakPolarHBondContact O-CA 3.4Å; L555-L559 WeakPolarHBondContact O-CB 3.48Å; L555-L559 WeakPolarHBondContact O-CG 3.17Å; L555-L559 PolarHBondContact O-N 2.84Å; L559-L561 VanDerWaalsContact C-N 3.32Å; L559-L561 HydrophobicContact CB-CD1 4.02Å; L559-L561 HydrophobicContact CB-CD2 4.32Å; L559-L561 HydrophobicContact CB-CG 3.79Å; L559-L561 HydrophobicContact CD1-CD1 4.09Å; L559-L561 PolarHBondContact O-N 2.88Å
560G98.4Very high98.7Very high41 Ų4148.3 Ų48.342%0.42324%0.242SC..THydrogen-bonded Turntrans67.730.9178.800000113.5K556K556-G560 CarbonylContact O-C 3.56Å; K556-G560 VanDerWaalsContact O-CA 3.26Å; K556-G560 WeakPolarHBondContact O-CA 3.36Å; K556-G560 PolarHBondContact O-N 3.29Å
561L98.5Very high98.7Very high15 Ų1543.8 Ų43.88%0.07923%0.226CC..  trans-87.9152.5-176.9-51.5174.4000111.8F487 L489 K556 L559 D565F487-L561 HydrophobicContact CE2-CD2 3.93Å; F487-L561 HydrophobicContact CZ-CD2 3.8Å; L489-L561 HydrophobicContact CB-CD1 4.18Å; L489-L561 HydrophobicContact CD2-CD1 3.92Å; K556-L561 WeakPolarHBondContact CB-O 3.2Å; K556-L561 HydrophobicContact CG-CB 4.3Å; K556-L561 PolarHBondContact O-N 2.72Å; L559-L561 VanDerWaalsContact C-N 3.32Å; L559-L561 HydrophobicContact CB-CD1 4.02Å; L559-L561 HydrophobicContact CB-CD2 4.32Å; L559-L561 HydrophobicContact CB-CG 3.79Å; L559-L561 HydrophobicContact CD1-CD1 4.09Å; L559-L561 PolarHBondContact O-N 2.88Å; L561-D565 HydrophobicContact CB-CB 4.22Å; L561-D565 HydrophobicContact CD2-CB 4.15Å
562T98.6Very high98.7Very high74 Ų7443.9 Ų43.945%0.45423%0.227SC..  trans-112.7173169.972.10000110.5Q564 D565T562-Q564 PolarHBondContact O-N 2.82Å; T562-Q564 VanDerWaalsContact O-N 3.15Å; T562-Q564 PolarHBondContact OG1-N 2.88Å; T562-D565 PolarHBondContact N-OD2 2.82Å; T562-D565 PolarHBondContact O-N 2.91Å; T562-D565 PolarHBondContact OG1-OD2 2.89Å
563E98.4Very high98.6Very high96 Ų9642.8 Ų42.845%0.44922%0.223SC..G310 helixtrans-60.2-22174.2-64.6-60.4139.200113.2R552 K556 D565 I566R552-E563 IonicContact CZ-OE2 3.36Å; R552-E563 VanDerWaalsContact CZ-OE2 3.29Å; R552-E563 IonicContact NE-OE1 3.02Å; R552-E563 PolarHBondContact NE-OE1 2.83Å; R552-E563 IonicContact NE-OE2 2.69Å; R552-E563 PolarHBondContact NE-OE2 2.92Å; R552-E563 VanDerWaalsContact NE-OE2 3.12Å; R552-E563 IonicContact NH2-OE2 3.13Å; R552-E563 PolarHBondContact NH2-OE2 2.95Å; K556-E563 VanDerWaalsContact CE-OE1 3.31Å; K556-E563 WeakPolarHBondContact CE-OE1 3.49Å; K556-E563 IonicContact NZ-OE1 2.7Å; K556-E563 PolarHBondContact NZ-OE1 2.74Å; E563-D565 PolarHBondContact O-N 3.3Å; E563-I566 PolarHBondContact O-N 2.82Å
564Q98.1Very high98.5Very high167 Ų16740.8 Ų40.878%0.7821%0.209SC*.G310 helixtrans-72-16.2176-64.6-64.6-9.400113.1T562T562-Q564 PolarHBondContact O-N 2.82Å; T562-Q564 VanDerWaalsContact O-N 3.15Å; T562-Q564 PolarHBondContact OG1-N 2.88Å
565D98.5Very high98.5Very high46 Ų4640.7 Ų40.725%0.24621%0.209CC..G310 helixtrans-97.65.5-178.2-50.2-66000111.6L488 L489 L561 T562 E563L488-D565 WeakPolarHBondContact CA-O 3.21Å; L489-D565 PolarHBondContact N-O 2.96Å; L561-D565 HydrophobicContact CB-CB 4.22Å; L561-D565 HydrophobicContact CD2-CB 4.15Å; T562-D565 PolarHBondContact N-OD2 2.82Å; T562-D565 PolarHBondContact O-N 2.91Å; T562-D565 PolarHBondContact OG1-OD2 2.89Å; E563-D565 PolarHBondContact O-N 3.3Å
566I98.8Very high98.3Very high13 Ų1342.2 Ų42.27%0.06722%0.217CC..EExtended strand (participates in β ladder)trans-127.9131.7-171.9-47.5176.1000111.2L489 M491 R552 K556 E563L489-I566 HydrophobicContact CB-CG1 4.28Å; L489-I566 HydrophobicContact CD2-CD1 4.18Å; L489-I566 HydrophobicContact CD2-CG1 4.1Å; L489-I566 HydrophobicContact CD2-CG2 4.35Å; L489-I566 HydrophobicContact CG-CG2 4.33Å; L489-I566 CarbonylContact O-C 3.57Å; L489-I566 VanDerWaalsContact O-CA 3.29Å; L489-I566 WeakPolarHBondContact O-CA 3.41Å; M491-I566 HydrophobicContact CB-CG2 4.36Å; M491-I566 HydrophobicContact CG-CG2 3.84Å; R552-I566 HydrophobicContact CG-CD1 3.91Å; R552-I566 VanDerWaalsContact CZ-CG2 3.5Å; K556-I566 HydrophobicContact CD-CD1 3.88Å; K556-I566 HydrophobicContact CG-CD1 3.72Å; E563-I566 PolarHBondContact O-N 2.82Å
567I98.9Very high98Very high27 Ų2749.1 Ų49.114%0.13825%0.247CC..EExtended strand (participates in β ladder)trans-116.8132.4168.9-69.4-175.4000109.6L488 L489 L490 M491 L569 L621 L622 L625L488-I567 HydrophobicContact CD1-CD1 3.61Å; L488-I567 HydrophobicContact CD1-CG1 4.14Å; L489-I567 PolarHBondContact O-N 3.48Å; L490-I567 WeakPolarHBondContact CA-O 3.22Å; L490-I567 HydrophobicContact CD2-CB 3.81Å; L490-I567 HydrophobicContact CD2-CG2 4.2Å; M491-I567 PolarHBondContact N-O 2.9Å; I567-L569 HydrophobicContact CG2-CD2 4.05Å; I567-L621 HydrophobicContact CG2-CB 4.19Å; I567-L621 HydrophobicContact CG2-CD1 4.06Å; I567-L622 HydrophobicContact CD1-CD2 4.2Å; I567-L622 HydrophobicContact CG2-CD2 4.36Å; I567-L625 HydrophobicContact CD1-CD1 3.68Å
568D98.9Very high97.8Very high49 Ų4948.1 Ų48.126%0.26225%0.247SC..EExtended strand (participates in β ladder)trans-93.1116.9177.7-71-70.6000110.6M491 R552 L621M491-D568 CarbonylContact O-C 3.44Å; M491-D568 WeakPolarHBondContact O-CA 3.38Å; R552-D568 IonicContact CZ-OD1 3.72Å; R552-D568 IonicContact CZ-OD2 2.74Å; R552-D568 IonicContact NH1-OD1 3.44Å; R552-D568 PolarHBondContact NH1-OD1 3.49Å; R552-D568 IonicContact NH1-OD2 3.25Å; R552-D568 PolarHBondContact NH1-OD2 2.87Å; R552-D568 VanDerWaalsContact NH1-OD2 3.16Å; R552-D568 IonicContact NH2-OD2 3.6Å; R552-D568 PolarHBondContact NH2-OD2 2.88Å; R552-D568 VanDerWaalsContact NH2-OD2 3.07Å; D568-L621 WeakPolarHBondContact O-CD1 3.46Å
569L98.8Very high97.7Very high2 Ų252.2 Ų52.21%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-93.7134.8174.4-59.9-171.7000110.6L490 M491 A492 S493 I567 A571 V589 M591 V618 L621L490-L569 HydrophobicContact CB-CD1 4.33Å; L490-L569 HydrophobicContact CD1-CD1 4.16Å; M491-L569 PolarHBondContact O-N 3.29Å; A492-L569 CarbonylContact C-O 3.51Å; S493-L569 PolarHBondContact N-O 2.96Å; I567-L569 HydrophobicContact CG2-CD2 4.05Å; L569-A571 PolarHBondContact O-N 2.59Å; L569-V589 HydrophobicContact CD1-CB 4.38Å; L569-M591 HydrophobicContact CD1-CE 3.8Å; L569-V618 HydrophobicContact CD2-CG1 4.37Å; L569-V618 HydrophobicContact CD2-CG2 4.29Å; L569-L621 HydrophobicContact CD2-CD1 4.11Å
570P98.8Very high97.6Very high1 Ų154.5 Ų54.51%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-66121.1-178.526.2-32.9000110.9S493 A496 C497 F585 M588 L614 V618S493-P570 WeakPolarHBondContact O-CA 3.42Å; A496-P570 HydrophobicContact CB-CB 4.47Å; C497-P570 HydrophobicContact CB-CB 3.77Å; P570-F585 WeakPolarHBondContact O-CZ 3.29Å; P570-M588 HydrophobicContact CG-CE 3.83Å; P570-M588 WeakPolarHBondContact O-CE 3.45Å; P570-L614 HydrophobicContact CB-CD2 3.87Å; P570-L614 HydrophobicContact CG-CD2 3.76Å; P570-V618 HydrophobicContact CG-CG2 4.43Å
571A98.5Very high97.6Very high5 Ų552.6 Ų52.64%0.04126%0.255CS..  trans-127.1161.2176.500000110.4A492 S493 T494 C497 L569 F573A492-A571 HydrophobicContact CB-CB 3.72Å; S493-A571 PolarHBondContact O-N 3.19Å; T494-A571 VanDerWaalsContact CA-O 3.24Å; T494-A571 WeakPolarHBondContact CA-O 3.39Å; C497-A571 WeakPolarHBondContact CB-O 3.38Å; L569-A571 PolarHBondContact O-N 2.59Å; A571-F573 HydrophobicContact CB-CE2 3.91Å; A571-F573 HydrophobicContact CB-CZ 4.11Å
572L98.3Very high97.4Very high1 Ų156 Ų561%0.00527%0.267CS..  trans-148.2139.3173.5-168.171.9000109Y498 I531 L537 N541 F584 F585Y498-L572 HydrophobicContact CD2-CD1 4.09Å; Y498-L572 HydrophobicContact CE2-CD1 3.37Å; I531-L572 HydrophobicContact CD1-CD2 4.49Å; I531-L572 HydrophobicContact CG2-CD2 4.04Å; L537-L572 HydrophobicContact CD2-CD2 4.49Å; N541-L572 HydrophobicContact CB-CD1 4.37Å; N541-L572 WeakPolarHBondContact OD1-CD1 3.42Å; L572-F584 HydrophobicContact CB-CB 4.05Å; L572-F584 HydrophobicContact CD2-CB 4.17Å; L572-F584 HydrophobicContact CD2-CD1 3.84Å; L572-F584 HydrophobicContact CD2-CD2 4.37Å; L572-F584 HydrophobicContact CD2-CE1 4.32Å; L572-F584 HydrophobicContact CD2-CG 3.88Å; L572-F584 HydrophobicContact CG-CB 4.05Å; L572-F584 HydrophobicContact CG-CG 4.28Å; L572-F584 WeakPolarHBondContact O-CB 3.42Å; L572-F584 PolarHBondContact O-N 2.86Å; L572-F585 HydrophobicContact CB-CD1 3.91Å; L572-F585 HydrophobicContact CB-CE1 3.4Å; L572-F585 VanDerWaalsContact CB-CE1 3.4Å; L572-F585 HydrophobicContact CB-CZ 4.2Å
573F98.1Very high97.2Very high0 Ų053.4 Ų53.40%025%0.253CS..EExtended strand (participates in β ladder)trans-124.8162-176.6-56.9-87.5000111.4W466 L467 A492 T494 L537 N541 F544 L548 A571 A581 R582 N587W466-F573 HydrophobicContact CH2-CE1 4.4Å; W466-F573 HydrophobicContact CH2-CE2 4.24Å; W466-F573 HydrophobicContact CH2-CZ 4.07Å; W466-F573 HydrophobicContact CZ3-CD2 4.49Å; W466-F573 HydrophobicContact CZ3-CE2 4.47Å; W466-F573 HydrophobicContact CZ3-CZ 4.49Å; L467-F573 HydrophobicContact CD2-CD1 4.27Å; L467-F573 HydrophobicContact CD2-CE1 3.95Å; A492-F573 HydrophobicContact CB-CZ 4.32Å; T494-F573 HydrophobicContact CG2-CD2 3.6Å; T494-F573 HydrophobicContact CG2-CE2 3.83Å; L537-F573 WeakPolarHBondContact CD1-O 3.16Å; N541-F573 PolarHBondContact ND2-O 3.19Å; N541-F573 PolarHBondContact OD1-N 3Å; N541-F573 PolarHBondContact OD1-O 2.96Å; F544-F573 HydrophobicContact CB-CD2 4.39Å; F544-F573 HydrophobicContact CD2-CB 3.59Å; F544-F573 HydrophobicContact CD2-CD2 4.48Å; F544-F573 HydrophobicContact CD2-CG 4.36Å; F544-F573 HydrophobicContact CE2-CB 3.81Å; F544-F573 HydrophobicContact CG-CB 4.42Å; L548-F573 HydrophobicContact CD1-CE2 4.33Å; A571-F573 HydrophobicContact CB-CE2 3.91Å; A571-F573 HydrophobicContact CB-CZ 4.11Å; F573-A581 HydrophobicContact CB-CB 3.89Å; F573-A581 HydrophobicContact CD1-CB 3.97Å; F573-A581 HydrophobicContact CG-CB 4.04Å; F573-R582 CarbonylContact C-O 3.5Å; F573-R582 VanDerWaalsContact CA-O 3.26Å; F573-R582 WeakPolarHBondContact CA-O 3.45Å; F573-N587 WeakPolarHBondContact CE1-OD1 3.29Å
574K97.1Very high97Very high54 Ų5451 Ų5124%0.23524%0.24CC..EExtended strand (participates in β ladder)trans-122.7132169.6-178.467.6-163.177.60109.6L537 E540 R582 F584L537-K574 HydrophobicContact CD1-CD 3.77Å; E540-K574 IonicContact OE1-NZ 3.66Å; E540-K574 PolarHBondContact OE1-NZ 2.99Å; E540-K574 WeakPolarHBondContact OE2-CD 3.33Å; E540-K574 IonicContact OE2-NZ 3.91Å; E540-K574 PolarHBondContact OE2-NZ 3.32Å; K574-R582 HydrophobicContact CB-CG 4.34Å; K574-R582 PolarHBondContact N-O 2.91Å; K574-R582 WeakPolarHBondContact O-CG 3.28Å; K574-R582 PolarHBondContact O-N 2.64Å; K574-F584 HydrophobicContact CB-CD2 4.35Å
575M97.3Very high96.9Very high32 Ų3243 Ų4316%0.15820%0.203CC..EExtended strand (participates in β ladder)trans-69.9137.2174.5-165.8172.3-79.300111.5E540 Y543 F544 H579 R580 R582E540-M575 HydrophobicContact CB-CB 4.25Å; E540-M575 HydrophobicContact CB-CE 4.44Å; E540-M575 HydrophobicContact CG-CB 3.64Å; E540-M575 HydrophobicContact CG-CE 4.18Å; E540-M575 HydrophobicContact CG-SD 4.22Å; E540-M575 VanDerWaalsContact OE2-CB 3.31Å; E540-M575 WeakPolarHBondContact OE2-CB 3.38Å; E540-M575 PolarHBondContact OE2-N 2.71Å; Y543-M575 HydrophobicContact CD1-CE 3.72Å; Y543-M575 HydrophobicContact CE1-CE 4.11Å; F544-M575 HydrophobicContact CE1-CE 3.85Å; F544-M575 HydrophobicContact CE2-CB 4.28Å; F544-M575 HydrophobicContact CZ-CB 3.78Å; F544-M575 HydrophobicContact CZ-CE 3.69Å; F544-M575 HydrophobicContact CZ-CG 4.09Å; M575-H579 HydrophobicContact CG-CB 4.46Å; M575-H579 HydrophobicContact SD-CB 4Å; M575-R580 CarbonylContact C-O 3.41Å; M575-R580 VanDerWaalsContact CA-O 3.29Å; M575-R580 WeakPolarHBondContact CA-O 3.42Å; M575-R582 PolarHBondContact O-NH1 3.15Å
576D94.4Very high96.7Very high34 Ų3440.8 Ų40.818%0.18219%0.192CC..  trans-90.3-167170.272.714.2000112.4T468 D578 H579 R580 R582T468-D576 WeakPolarHBondContact CB-OD2 3.46Å; T468-D576 VanDerWaalsContact CG2-OD2 3.29Å; T468-D576 WeakPolarHBondContact CG2-OD2 3.24Å; T468-D576 PolarHBondContact OG1-OD2 3.11Å; D576-D578 VanDerWaalsContact C-N 3.32Å; D576-D578 WeakPolarHBondContact OD1-CA 3.47Å; D576-D578 PolarHBondContact OD1-N 3.12Å; D576-H579 PolarHBondContact OD1-N 3.24Å; D576-R580 PolarHBondContact N-O 3.09Å; D576-R580 PolarHBondContact OD1-N 3.01Å; D576-R582 VanDerWaalsContact CA-NH1 3.27Å; D576-R582 VanDerWaalsContact CB-NH1 3.34Å
577K94.4Very high96.5Very high198 Ų19840.4 Ų40.486%0.86119%0.189SC*.THydrogen-bonded Turntrans-76.6-20.5-178.2-64-178.9-178.7177.40113.3H579K577-H579 VanDerWaalsContact C-N 3.28Å
578D93.8Very high96.4Very high108 Ų10839.3 Ų39.358%0.57818%0.184SC*.THydrogen-bonded Turntrans-95.814.4180-60.1-34.1000111.4D576 R580D576-D578 VanDerWaalsContact C-N 3.32Å; D576-D578 WeakPolarHBondContact OD1-CA 3.47Å; D576-D578 PolarHBondContact OD1-N 3.12Å; D578-R580 HydrophobicContact CB-CG 4.49Å; D578-R580 PolarHBondContact O-N 2.92Å
579H96.3Very high96.4Very high130 Ų13037.1 Ų37.160%0.60217%0.172SC*.SBendtrans61.326.6-175.9-55.7-71.7000114.4M575 D576 K577M575-H579 HydrophobicContact CG-CB 4.46Å; M575-H579 HydrophobicContact SD-CB 4Å; D576-H579 PolarHBondContact OD1-N 3.24Å; K577-H579 VanDerWaalsContact C-N 3.28Å
580R97.4Very high96.3Very high52 Ų5237.1 Ų37.120%0.19617%0.172CC..  trans-104.2155.8177.3-65.4-178.9174.2117.4-5.5112.5D465 W466 L467 M575 D576 D578D465-R580 WeakPolarHBondContact O-CD 3.26Å; D465-R580 PolarHBondContact O-NE 3.23Å; D465-R580 IonicContact OD1-CZ 3.12Å; D465-R580 IonicContact OD1-NE 2.67Å; D465-R580 PolarHBondContact OD1-NE 3.17Å; D465-R580 IonicContact OD1-NH2 3.29Å; D465-R580 PolarHBondContact OD1-NH2 2.92Å; D465-R580 IonicContact OD2-NH2 2.64Å; W466-R580 CarbonylContact O-C 3.5Å; W466-R580 WeakPolarHBondContact O-CA 3.29Å; W466-R580 WeakPolarHBondContact O-CB 3.46Å; L467-R580 WeakPolarHBondContact O-CD 3.5Å; M575-R580 CarbonylContact C-O 3.41Å; M575-R580 VanDerWaalsContact CA-O 3.29Å; M575-R580 WeakPolarHBondContact CA-O 3.42Å; D576-R580 PolarHBondContact N-O 3.09Å; D576-R580 PolarHBondContact OD1-N 3.01Å; D578-R580 HydrophobicContact CB-CG 4.49Å; D578-R580 PolarHBondContact O-N 2.92Å
581A97.6Very high96.2Very high0 Ų037.2 Ų37.20%017%0.173CC..EExtended strand (participates in β ladder)trans-86.8133.1-17900000112W466 L467 T468 F544 F573W466-A581 HydrophobicContact CE3-CB 3.58Å; W466-A581 HydrophobicContact CZ3-CB 3.48Å; W466-A581 VanDerWaalsContact CZ3-CB 3.48Å; W466-A581 PolarHBondContact O-N 3.48Å; L467-A581 WeakPolarHBondContact CA-O 3.31Å; L467-A581 HydrophobicContact CD2-CB 3.87Å; T468-A581 PolarHBondContact N-O 3Å; T468-A581 PolarHBondContact OG1-O 2.93Å; F544-A581 HydrophobicContact CD1-CB 3.8Å; F544-A581 HydrophobicContact CD2-CB 4.16Å; F544-A581 HydrophobicContact CE1-CB 3.55Å; F544-A581 HydrophobicContact CE2-CB 3.92Å; F544-A581 HydrophobicContact CG-CB 4.1Å; F544-A581 HydrophobicContact CZ-CB 3.61Å; F573-A581 HydrophobicContact CB-CB 3.89Å; F573-A581 HydrophobicContact CD1-CB 3.97Å; F573-A581 HydrophobicContact CG-CB 4.04Å
582R94.6Very high96.2Very high88 Ų8837 Ų3733%0.33217%0.171SC..EExtended strand (participates in β ladder)trans-115.9149.1157.259.9179-177.7-74.20.6109.9F573 K574 M575 D576 F584 L642F573-R582 CarbonylContact C-O 3.5Å; F573-R582 VanDerWaalsContact CA-O 3.26Å; F573-R582 WeakPolarHBondContact CA-O 3.45Å; K574-R582 HydrophobicContact CB-CG 4.34Å; K574-R582 PolarHBondContact N-O 2.91Å; K574-R582 WeakPolarHBondContact O-CG 3.28Å; K574-R582 PolarHBondContact O-N 2.64Å; M575-R582 PolarHBondContact O-NH1 3.15Å; D576-R582 VanDerWaalsContact CA-NH1 3.27Å; D576-R582 VanDerWaalsContact CB-NH1 3.34Å; R582-F584 PolarHBondContact O-N 2.59Å; R582-L642 HydrophobicContact CB-CD2 4Å
583A94.6Very high96.2Very high19 Ų1937 Ų3716%0.15717%0.171CC..EExtended strand (participates in β ladder)trans-54.8132.8176.600000111.4F585 N587A583-F585 WeakPolarHBondContact CB-O 3.25Å; A583-N587 WeakPolarHBondContact CB-OD1 3.43Å
584F94.5Very high96.2Very high44 Ų4437 Ų3719%0.19317%0.171CC..SBendtrans-82.5-36.1174.2-172.5-81.7000111.1F515 I526 I531 L537 L572 K574 R582F515-F584 HydrophobicContact CE2-CE1 4.03Å; F515-F584 HydrophobicContact CZ-CD1 4.24Å; F515-F584 HydrophobicContact CZ-CE1 4.17Å; F515-F584 WeakPolarHBondContact CZ-O 3.29Å; I526-F584 HydrophobicContact CD1-CZ 4.36Å; I526-F584 HydrophobicContact CG2-CE1 4.24Å; I526-F584 HydrophobicContact CG2-CZ 4.17Å; I531-F584 HydrophobicContact CD1-CE1 4.07Å; I531-F584 HydrophobicContact CD1-CZ 4.37Å; I531-F584 HydrophobicContact CG1-CZ 4.37Å; L537-F584 HydrophobicContact CD1-CD2 4.33Å; L537-F584 HydrophobicContact CD2-CD2 4.43Å; L537-F584 HydrophobicContact CD2-CE2 4.05Å; L572-F584 HydrophobicContact CB-CB 4.05Å; L572-F584 HydrophobicContact CD2-CB 4.17Å; L572-F584 HydrophobicContact CD2-CD1 3.84Å; L572-F584 HydrophobicContact CD2-CD2 4.37Å; L572-F584 HydrophobicContact CD2-CE1 4.32Å; L572-F584 HydrophobicContact CD2-CG 3.88Å; L572-F584 HydrophobicContact CG-CB 4.05Å; L572-F584 HydrophobicContact CG-CG 4.28Å; L572-F584 WeakPolarHBondContact O-CB 3.42Å; L572-F584 PolarHBondContact O-N 2.86Å; K574-F584 HydrophobicContact CB-CD2 4.35Å; R582-F584 PolarHBondContact O-N 2.59Å
585F94.5Very high96.3Very high0 Ų037.9 Ų37.90%018%0.178CC..SBendtrans-136.1164168.162.3-105.1000108.2M514 F515 P570 L572 A583 N587 M588 P603 L614M514-F585 HydrophobicContact CE-CB 4.2Å; M514-F585 HydrophobicContact CE-CD1 3.78Å; M514-F585 HydrophobicContact CE-CG 4.27Å; F515-F585 HydrophobicContact CE1-CB 4.03Å; F515-F585 HydrophobicContact CZ-CB 4.1Å; P570-F585 WeakPolarHBondContact O-CZ 3.29Å; L572-F585 HydrophobicContact CB-CD1 3.91Å; L572-F585 HydrophobicContact CB-CE1 3.4Å; L572-F585 VanDerWaalsContact CB-CE1 3.4Å; L572-F585 HydrophobicContact CB-CZ 4.2Å; A583-F585 WeakPolarHBondContact CB-O 3.25Å; F585-N587 PolarHBondContact O-N 2.87Å; F585-M588 HydrophobicContact CE2-CE 4.27Å; F585-P603 HydrophobicContact CD2-CB 3.9Å; F585-P603 HydrophobicContact CE2-CB 4.22Å; F585-L614 HydrophobicContact CD1-CD1 4.35Å; F585-L614 HydrophobicContact CD2-CD1 4.23Å; F585-L614 HydrophobicContact CE1-CD1 3.97Å; F585-L614 HydrophobicContact CE2-CD1 3.9Å; F585-L614 HydrophobicContact CG-CD1 4.47Å; F585-L614 HydrophobicContact CZ-CD1 3.75Å; F585-L614 HydrophobicContact CZ-CD2 4.29Å
586P94.8Very high96.3Very high0 Ų039.9 Ų39.90%019%0.186CC..  trans-45.1126.2-176.8-37.441.6000115.2M588 P601 K602 I635 H639 E644P586-M588 PolarHBondContact O-N 2.83Å; P586-P601 HydrophobicContact CB-CB 3.88Å; P586-K602 WeakPolarHBondContact CG-O 3.5Å; P586-I635 HydrophobicContact CG-CD1 4.13Å; P586-H639 HydrophobicContact CG-CB 4.23Å; P586-H639 VanDerWaalsContact N-CE1 3.31Å; P586-E644 WeakPolarHBondContact CA-OE1 3.48Å; P586-E644 VanDerWaalsContact CA-OE2 3.29Å; P586-E644 WeakPolarHBondContact CA-OE2 3.5Å; P586-E644 WeakPolarHBondContact CB-OE2 3.34Å
587N94.8Very high96.5Very high4 Ų438.5 Ų38.52%0.02118%0.178CC..  trans-70.293.4-179.1-75.3-25.5000111.2F573 A583 F585 V589 N590 E644F573-N587 WeakPolarHBondContact CE1-OD1 3.29Å; A583-N587 WeakPolarHBondContact CB-OD1 3.43Å; F585-N587 PolarHBondContact O-N 2.87Å; N587-V589 PolarHBondContact O-N 2.83Å; N587-N590 WeakPolarHBondContact O-CB 3.22Å; N587-N590 PolarHBondContact O-N 2.92Å; N587-E644 HydrophobicContact CB-CG 3.89Å; N587-E644 VanDerWaalsContact N-CD 3.31Å; N587-E644 PolarHBondContact N-OE1 2.99Å
588M98.1Very high96.7Very high4 Ų429 Ų292%0.0214%0.137CC..THydrogen-bonded Turntrans-59-22.3-175.8-67.1-173.6-68.500115.2P570 F585 P586 N590 M591 I600 P603 L614 V618 F631P570-M588 HydrophobicContact CG-CE 3.83Å; P570-M588 WeakPolarHBondContact O-CE 3.45Å; F585-M588 HydrophobicContact CE2-CE 4.27Å; P586-M588 PolarHBondContact O-N 2.83Å; M588-N590 PolarHBondContact O-N 2.9Å; M588-M591 WeakPolarHBondContact O-CE 3.45Å; M588-I600 HydrophobicContact CB-CG2 3.81Å; M588-I600 HydrophobicContact CG-CG2 4.09Å; M588-P603 HydrophobicContact CE-CB 4.39Å; M588-P603 HydrophobicContact CG-CB 3.99Å; M588-P603 HydrophobicContact CG-CG 4.35Å; M588-P603 HydrophobicContact SD-CB 3.67Å; M588-P603 HydrophobicContact SD-CG 3.56Å; M588-P603 VanDerWaalsContact SD-CG 3.56Å; M588-L614 HydrophobicContact CE-CB 4.26Å; M588-V618 HydrophobicContact CE-CG2 3.6Å; M588-V618 HydrophobicContact SD-CG2 3.72Å; M588-F631 HydrophobicContact SD-CE1 4.24Å
589V97.8Very high96.9Very high3 Ų323.9 Ų23.92%0.01811%0.11CC..THydrogen-bonded Turntrans-67.3-25.1176.870.70000112.3E474 S477 L490 A492 L569 N587 M591E474-V589 VanDerWaalsContact O-CG1 3.23Å; E474-V589 WeakPolarHBondContact O-CG1 3.28Å; S477-V589 VanDerWaalsContact CB-O 3.28Å; S477-V589 WeakPolarHBondContact CB-O 3.42Å; S477-V589 WeakPolarHBondContact OG-CG2 3.25Å; S477-V589 PolarHBondContact OG-O 2.81Å; L490-V589 HydrophobicContact CB-CG2 3.96Å; A492-V589 HydrophobicContact CB-CG1 4.26Å; L569-V589 HydrophobicContact CD1-CB 4.38Å; N587-V589 PolarHBondContact O-N 2.83Å; V589-M591 VanDerWaalsContact C-N 3.31Å; V589-M591 PolarHBondContact O-N 2.7Å
590N96.4Very high97Very high3 Ų317.7 Ų17.72%0.0168%0.081CC..SBendtrans-85.970.1-176.7-156.313.4000111.3D473 N587 M588 P601 E644 H646 C647D473-N590 WeakPolarHBondContact CB-OD1 3.49Å; D473-N590 WeakPolarHBondContact O-CB 3.29Å; D473-N590 PolarHBondContact O-OD1 2.89Å; D473-N590 PolarHBondContact OD2-ND2 2.78Å; D473-N590 PolarHBondContact OD2-OD1 2.87Å; N587-N590 WeakPolarHBondContact O-CB 3.22Å; N587-N590 PolarHBondContact O-N 2.92Å; M588-N590 PolarHBondContact O-N 2.9Å; N590-P601 WeakPolarHBondContact O-CD 3.47Å; N590-P601 VanDerWaalsContact O-CG 3.23Å; N590-P601 WeakPolarHBondContact O-CG 3.2Å; N590-E644 HydrophobicContact CB-CB 4.18Å; N590-E644 HydrophobicContact CB-CG 4.43Å; N590-H646 HydrophobicContact CB-CB 4.45Å; N590-H646 WeakPolarHBondContact O-CB 3.44Å; N590-H646 PolarHBondContact O-N 2.81Å; N590-H646 WeakPolarHBondContact OD1-CB 3.33Å; N590-H646 PolarHBondContact OD1-ND1 2.85Å; N590-C647 PolarHBondContact ND2-SG 3.09Å
591M97.8Very high96.9Very high2 Ų215.2 Ų15.21%0.017%0.072CC..  trans-115.4157.4-166.267.6178.97100113.3V479 L490 L569 M588 V589 V593 L598 G599 I600V479-M591 HydrophobicContact CG1-SD 4.22Å; L490-M591 HydrophobicContact CD1-CE 3.58Å; L490-M591 HydrophobicContact CD1-SD 3.98Å; L569-M591 HydrophobicContact CD1-CE 3.8Å; M588-M591 WeakPolarHBondContact O-CE 3.45Å; V589-M591 VanDerWaalsContact C-N 3.31Å; V589-M591 PolarHBondContact O-N 2.7Å; M591-V593 HydrophobicContact CG-CG2 4Å; M591-V593 HydrophobicContact SD-CG2 4.43Å; M591-L598 HydrophobicContact SD-CB 4.23Å; M591-L598 HydrophobicContact SD-CD1 3.97Å; M591-L598 HydrophobicContact SD-CD2 4.17Å; M591-L598 HydrophobicContact SD-CG 4.36Å; M591-G599 CarbonylContact C-O 3.53Å; M591-G599 WeakPolarHBondContact CA-O 3.25Å; M591-G599 WeakPolarHBondContact CB-O 3.43Å; M591-I600 HydrophobicContact CB-CG1 4.25Å; M591-I600 HydrophobicContact CE-CD1 4.29Å; M591-I600 HydrophobicContact CE-CG1 4.13Å; M591-I600 HydrophobicContact SD-CG1 4.11Å
592I97.9Very high96.8Very high1 Ų118 Ų181%0.0058%0.084CC..EExtended strand (participates in β ladder)trans-80.1126.9169-50.2175.2000108.7V324 L327 L594 L598 G599 V645 T649 V651V324-I592 HydrophobicContact CG2-CD1 4.3Å; L327-I592 HydrophobicContact CD2-CB 4.22Å; L327-I592 HydrophobicContact CD2-CD1 4.28Å; L327-I592 HydrophobicContact CD2-CG2 4.37Å; I592-L594 HydrophobicContact CG2-CD1 4.36Å; I592-L594 HydrophobicContact CG2-CD2 3.86Å; I592-L594 HydrophobicContact CG2-CG 3.85Å; I592-L598 WeakPolarHBondContact O-CA 3.39Å; I592-G599 PolarHBondContact N-O 2.85Å; I592-G599 PolarHBondContact O-N 3.19Å; I592-V645 HydrophobicContact CD1-CG1 3.54Å; I592-V645 HydrophobicContact CG1-CG1 3.56Å; I592-T649 HydrophobicContact CD1-CG2 3.79Å; I592-T649 WeakPolarHBondContact CG1-OG1 3.26Å; I592-V651 HydrophobicContact CG2-CG2 3.96Å
593V98.5Very high96.8Very high1 Ų113.8 Ų13.81%0.0067%0.068CC..EExtended strand (participates in β ladder)trans-110.7107.4177.9-176.20000110.2N302 V479 M591 L598 R653N302-V593 HydrophobicContact CB-CB 4Å; N302-V593 HydrophobicContact CB-CG1 4.21Å; N302-V593 HydrophobicContact CB-CG2 4.23Å; V479-V593 HydrophobicContact CG1-CG1 4.29Å; V479-V593 HydrophobicContact CG1-CG2 3.98Å; M591-V593 HydrophobicContact CG-CG2 4Å; M591-V593 HydrophobicContact SD-CG2 4.43Å; V593-L598 HydrophobicContact CB-CD2 4.35Å; V593-L598 HydrophobicContact CG1-CD2 4.01Å; V593-L598 HydrophobicContact CG2-CD2 4.16Å; V593-R653 PolarHBondContact O-NH1 2.79Å; V593-R653 PolarHBondContact O-NH2 3.1Å
594L98.4Very high96.8Very high1 Ų113.8 Ų13.81%0.0056%0.064CC..EExtended strand (participates in β ladder)trans-115.481176.7-53.8-179.2000109.9P306 V309 L327 V328 T331 I592 K596 D597 V651P306-L594 HydrophobicContact CB-CD2 3.63Å; P306-L594 HydrophobicContact CG-CB 4.08Å; P306-L594 HydrophobicContact CG-CD2 4.03Å; V309-L594 HydrophobicContact CG2-CD1 4.11Å; V309-L594 HydrophobicContact CG2-CD2 3.73Å; L327-L594 HydrophobicContact CD2-CD1 4.2Å; L327-L594 HydrophobicContact CG-CD1 4.11Å; V328-L594 HydrophobicContact CG2-CD1 4.13Å; T331-L594 HydrophobicContact CG2-CB 3.94Å; T331-L594 HydrophobicContact CG2-CD1 3.93Å; I592-L594 HydrophobicContact CG2-CD1 4.36Å; I592-L594 HydrophobicContact CG2-CD2 3.86Å; I592-L594 HydrophobicContact CG2-CG 3.85Å; L594-K596 PolarHBondContact O-N 2.91Å; L594-D597 HydrophobicContact CB-CB 4.49Å; L594-D597 PolarHBondContact N-O 2.88Å; L594-D597 PolarHBondContact O-N 2.8Å; L594-V651 HydrophobicContact CD2-CG1 4.03Å; L594-V651 HydrophobicContact CD2-CG2 4.19Å
595D98Very high96.8Very high71 Ų7111.7 Ų11.738%0.386%0.055SC..THydrogen-bonded Turntrans54-109.5-169.2-61.5-41.2000111.4P306 P480P306-D595 WeakPolarHBondContact CD-OD1 3.44Å; P306-D595 WeakPolarHBondContact CD-OD2 3.3Å; P480-D595 WeakPolarHBondContact CG-O 3.5Å
596K98Very high96.9Very high74 Ų7411.7 Ų11.732%0.3226%0.055SC..THydrogen-bonded Turntrans-84.3-19.1179.167.1175.7177.261.60113.4P482 L594 L627 E628P482-K596 HydrophobicContact CB-CB 4.42Å; P482-K596 HydrophobicContact CG-CB 3.79Å; L594-K596 PolarHBondContact O-N 2.91Å; K596-L627 WeakPolarHBondContact O-CA 3.41Å; K596-E628 WeakPolarHBondContact CE-OE1 3.29Å; K596-E628 VanDerWaalsContact NZ-CD 3.3Å; K596-E628 IonicContact NZ-OE1 3.9Å; K596-E628 PolarHBondContact NZ-OE1 3.46Å; K596-E628 IonicContact NZ-OE2 2.77Å; K596-E628 PolarHBondContact O-N 2.88Å
597D98.5Very high96.9Very high5 Ų514.2 Ų14.23%0.0277%0.067CC..EExtended strand (participates in β ladder)trans-90.6120.3-174.4-74.8-91.9000110.2L327 K330 T331 L594L327-D597 HydrophobicContact CD1-CB 4.06Å; K330-D597 VanDerWaalsContact CD-OD1 3.27Å; K330-D597 WeakPolarHBondContact CD-OD1 3.19Å; T331-D597 HydrophobicContact CG2-CB 4.41Å; L594-D597 HydrophobicContact CB-CB 4.49Å; L594-D597 PolarHBondContact N-O 2.88Å; L594-D597 PolarHBondContact O-N 2.8Å
598L98.6Very high96.9Very high0 Ų014.9 Ų14.90%07%0.071CC..EExtended strand (participates in β ladder)trans-110.4123.9-175.6-54.6-177.5000111.2V479 M591 I592 V593 I600 L622 L627 E628 T630V479-L598 HydrophobicContact CG1-CD1 4.3Å; V479-L598 HydrophobicContact CG1-CD2 3.82Å; M591-L598 HydrophobicContact SD-CB 4.23Å; M591-L598 HydrophobicContact SD-CD1 3.97Å; M591-L598 HydrophobicContact SD-CD2 4.17Å; M591-L598 HydrophobicContact SD-CG 4.36Å; I592-L598 WeakPolarHBondContact O-CA 3.39Å; V593-L598 HydrophobicContact CB-CD2 4.35Å; V593-L598 HydrophobicContact CG1-CD2 4.01Å; V593-L598 HydrophobicContact CG2-CD2 4.16Å; L598-I600 HydrophobicContact CB-CD1 4.1Å; L598-I600 HydrophobicContact CB-CG1 3.86Å; L598-I600 HydrophobicContact CD1-CD1 4.37Å; L598-L622 HydrophobicContact CD1-CD1 3.82Å; L598-L627 HydrophobicContact CD1-CB 3.94Å; L598-L627 HydrophobicContact CD1-CD1 4.14Å; L598-L627 HydrophobicContact CD1-CD2 4.26Å; L598-L627 HydrophobicContact CD1-CG 4.33Å; L598-L627 HydrophobicContact CD2-CD2 4.33Å; L598-L627 HydrophobicContact CG-CB 4.43Å; L598-L627 HydrophobicContact CG-CD2 4.35Å; L598-E628 PolarHBondContact N-O 2.58Å; L598-T630 WeakPolarHBondContact O-CA 3.35Å; L598-T630 WeakPolarHBondContact O-CB 3.44Å; L598-T630 PolarHBondContact O-N 2.72Å
599G98Very high96.6Very high0 Ų022.2 Ų22.20%011%0.105CC..EExtended strand (participates in β ladder)trans-94.389.4170.600000111M591 I592M591-G599 CarbonylContact C-O 3.53Å; M591-G599 WeakPolarHBondContact CA-O 3.25Å; M591-G599 WeakPolarHBondContact CB-O 3.43Å; I592-G599 PolarHBondContact N-O 2.85Å; I592-G599 PolarHBondContact O-N 3.19Å
600I98Very high96.4Very high0 Ų030.2 Ų30.20%014%0.143CC..EExtended strand (participates in β ladder)trans-95.3133.2-170.8-53.6-179.4000109.8M588 M591 L598 K602 V618 L622 C629 T630 F631 I632M588-I600 HydrophobicContact CB-CG2 3.81Å; M588-I600 HydrophobicContact CG-CG2 4.09Å; M591-I600 HydrophobicContact CB-CG1 4.25Å; M591-I600 HydrophobicContact CE-CD1 4.29Å; M591-I600 HydrophobicContact CE-CG1 4.13Å; M591-I600 HydrophobicContact SD-CG1 4.11Å; L598-I600 HydrophobicContact CB-CD1 4.1Å; L598-I600 HydrophobicContact CB-CG1 3.86Å; L598-I600 HydrophobicContact CD1-CD1 4.37Å; I600-K602 PolarHBondContact O-N 2.91Å; I600-V618 HydrophobicContact CD1-CG1 3.95Å; I600-L622 HydrophobicContact CD1-CD1 4.17Å; I600-C629 HydrophobicContact CD1-CB 3.93Å; I600-T630 PolarHBondContact N-O 3.03Å; I600-F631 HydrophobicContact CB-CD1 3.9Å; I600-F631 HydrophobicContact CB-CE1 3.99Å; I600-F631 HydrophobicContact CD1-CE1 4.36Å; I600-F631 HydrophobicContact CD1-CZ 4.5Å; I600-F631 HydrophobicContact CG2-CD1 3.85Å; I600-F631 HydrophobicContact CG2-CE1 3.66Å; I600-F631 CarbonylContact O-C 3.5Å; I600-F631 VanDerWaalsContact O-CA 3.22Å; I600-F631 WeakPolarHBondContact O-CA 3.47Å; I600-I632 PolarHBondContact O-N 2.9Å
601P95.9Very high96.3Very high0 Ų035.2 Ų35.20%017%0.166CC..EExtended strand (participates in β ladder)trans-53.5130.6171.9-24.430.8000112.1P586 N590 P603 E644 V645P586-P601 HydrophobicContact CB-CB 3.88Å; N590-P601 WeakPolarHBondContact O-CD 3.47Å; N590-P601 VanDerWaalsContact O-CG 3.23Å; N590-P601 WeakPolarHBondContact O-CG 3.2Å; P601-P603 WeakPolarHBondContact O-CD 3.3Å; P601-E644 HydrophobicContact CB-CB 4.31Å; P601-E644 HydrophobicContact CG-CB 3.82Å; P601-E644 HydrophobicContact CG-CG 4.48Å; P601-V645 HydrophobicContact CB-CG2 3.92Å; P601-V645 HydrophobicContact CG-CB 3.98Å; P601-V645 HydrophobicContact CG-CG2 3.67Å
602K95.4Very high96.3Very high58 Ų5835.2 Ų35.225%0.25217%0.166SC..PPolyproline II helixtrans-71.5118.3179.7-172173.2-175.265.20109.7P586 I600 F604 E615 F631 I632P586-K602 WeakPolarHBondContact CG-O 3.5Å; I600-K602 PolarHBondContact O-N 2.91Å; K602-F604 HydrophobicContact CB-CD2 4.43Å; K602-F604 HydrophobicContact CB-CE2 4.01Å; K602-F604 HydrophobicContact CD-CE1 4.24Å; K602-F604 HydrophobicContact CD-CE2 4.2Å; K602-F604 HydrophobicContact CD-CZ 3.93Å; K602-F604 HydrophobicContact CG-CD2 4.29Å; K602-F604 HydrophobicContact CG-CE2 4.06Å; K602-F604 HydrophobicContact CG-CZ 4.3Å; K602-F604 WeakPolarHBondContact O-CD2 3.43Å; K602-F604 WeakPolarHBondContact O-CE2 3.43Å; K602-F604 PolarHBondContact O-N 2.82Å; K602-E615 WeakPolarHBondContact CG-OE1 3.31Å; K602-E615 IonicContact NZ-OE1 3.67Å; K602-E615 PolarHBondContact NZ-OE1 2.88Å; K602-E615 IonicContact NZ-OE2 2.75Å; K602-E615 PolarHBondContact NZ-OE2 2.88Å; K602-F631 HydrophobicContact CB-CB 4.21Å; K602-F631 HydrophobicContact CG-CB 4.3Å; K602-I632 WeakPolarHBondContact CB-O 3.46Å; K602-I632 PolarHBondContact N-O 3.18Å
603P95.1Very high96.3Very high0 Ų035.6 Ų35.60%017%0.169CC..  trans-80.7-12.2-16932.1-38.7000114.8F585 M588 P601 G605 L614 E615F585-P603 HydrophobicContact CD2-CB 3.9Å; F585-P603 HydrophobicContact CE2-CB 4.22Å; M588-P603 HydrophobicContact CE-CB 4.39Å; M588-P603 HydrophobicContact CG-CB 3.99Å; M588-P603 HydrophobicContact CG-CG 4.35Å; M588-P603 HydrophobicContact SD-CB 3.67Å; M588-P603 HydrophobicContact SD-CG 3.56Å; M588-P603 VanDerWaalsContact SD-CG 3.56Å; P601-P603 WeakPolarHBondContact O-CD 3.3Å; P603-G605 PolarHBondContact O-N 3.15Å; P603-G605 VanDerWaalsContact O-N 3.17Å; P603-L614 HydrophobicContact CB-CB 4.16Å; P603-L614 HydrophobicContact CB-CD1 3.85Å; P603-L614 HydrophobicContact CG-CB 3.75Å; P603-L614 HydrophobicContact CG-CD1 4.32Å; P603-E615 HydrophobicContact CG-CG 3.74Å
604F94.3Very high96.3Very high18 Ų1835.5 Ų35.58%0.07917%0.168CC..  trans49.641.1-175.2-65.6-87.6000113.9F515 L518 K602 D633 I635F515-F604 HydrophobicContact CD1-CB 3.96Å; F515-F604 PolarHBondContact N-O 3.25Å; L518-F604 HydrophobicContact CD1-CB 4.39Å; L518-F604 HydrophobicContact CD1-CD1 4.03Å; L518-F604 HydrophobicContact CD1-CD2 4.34Å; L518-F604 HydrophobicContact CD1-CE1 4.38Å; L518-F604 HydrophobicContact CD1-CG 4Å; L518-F604 HydrophobicContact CD2-CE1 4.17Å; L518-F604 HydrophobicContact CD2-CZ 4.42Å; L518-F604 HydrophobicContact CG-CD1 4.23Å; L518-F604 HydrophobicContact CG-CE1 4.33Å; K602-F604 HydrophobicContact CB-CD2 4.43Å; K602-F604 HydrophobicContact CB-CE2 4.01Å; K602-F604 HydrophobicContact CD-CE1 4.24Å; K602-F604 HydrophobicContact CD-CE2 4.2Å; K602-F604 HydrophobicContact CD-CZ 3.93Å; K602-F604 HydrophobicContact CG-CD2 4.29Å; K602-F604 HydrophobicContact CG-CE2 4.06Å; K602-F604 HydrophobicContact CG-CZ 4.3Å; K602-F604 WeakPolarHBondContact O-CD2 3.43Å; K602-F604 WeakPolarHBondContact O-CE2 3.43Å; K602-F604 PolarHBondContact O-N 2.82Å; F604-D633 HydrophobicContact CZ-CB 4.31Å; F604-D633 WeakPolarHBondContact CZ-OD1 3.21Å; F604-I635 HydrophobicContact CD2-CB 4.31Å; F604-I635 HydrophobicContact CD2-CD1 3.65Å; F604-I635 HydrophobicContact CD2-CG2 4.46Å; F604-I635 HydrophobicContact CE2-CB 3.78Å; F604-I635 HydrophobicContact CE2-CD1 4.02Å; F604-I635 HydrophobicContact CE2-CG2 3.72Å; F604-I635 HydrophobicContact CG-CD1 4.33Å; F604-I635 HydrophobicContact CZ-CB 4.46Å; F604-I635 HydrophobicContact CZ-CG2 3.9Å
605G94.9Very high96.3Very high0 Ų036.1 Ų36.10%017%0.171CC..  trans-68.1178-178.200000115.3P603 Q607 C612P603-G605 PolarHBondContact O-N 3.15Å; P603-G605 VanDerWaalsContact O-N 3.17Å; G605-Q607 PolarHBondContact O-N 3.39Å; G605-Q607 PolarHBondContact O-NE2 2.8Å; G605-C612 VanDerWaalsContact CA-SG 3.55Å; G605-C612 PolarHBondContact N-SG 2.88Å
606P96.1Very high96.3Very high0 Ų037 Ų370%017%0.174CC..  trans-57.6134.8176-18.729.1000111.4F501 A512 M514 I528 C613F501-P606 HydrophobicContact CD1-CG 4.32Å; F501-P606 HydrophobicContact CE1-CG 3.66Å; F501-P606 HydrophobicContact CZ-CG 3.84Å; A512-P606 HydrophobicContact CB-CB 3.8Å; M514-P606 HydrophobicContact CG-CB 4.33Å; M514-P606 HydrophobicContact CG-CG 3.59Å; M514-P606 HydrophobicContact SD-CG 4.14Å; I528-P606 HydrophobicContact CD1-CB 3.76Å; I528-P606 HydrophobicContact CD1-CG 3.85Å; I528-P606 HydrophobicContact CG1-CB 3.86Å; I528-P606 HydrophobicContact CG1-CG 3.6Å; P606-C613 PolarHBondContact O-N 2.84Å; P606-C613 PolarHBondContact O-SG 3.15Å
607Q94.9Very high96.3Very high54 Ų5436.4 Ų36.425%0.25217%0.172SC..EExtended strand (participates in β ladder)trans-87.6120.7-179.9-60.1-68.6-54.800110.4A512 K516 G605 E610 E611A512-Q607 WeakPolarHBondContact CB-O 3.24Å; K516-Q607 HydrophobicContact CB-CG 4.13Å; K516-Q607 HydrophobicContact CD-CG 3.8Å; G605-Q607 PolarHBondContact O-N 3.39Å; G605-Q607 PolarHBondContact O-NE2 2.8Å; Q607-E610 PolarHBondContact OE1-O 2.85Å; Q607-E611 WeakPolarHBondContact CA-O 3.36Å
608V93.8Very high96.3Very high18 Ų1836.1 Ų36.111%0.10917%0.171CC..EExtended strand (participates in β ladder)trans-128.4121.1178.41770000107.2K504 H509 A512 E610 E611 C613K504-V608 HydrophobicContact CD-CG2 4.46Å; H509-V608 HydrophobicContact CB-CG2 3.96Å; A512-V608 HydrophobicContact CB-CG2 4.4Å; V608-E610 PolarHBondContact O-N 3.46Å; V608-E611 PolarHBondContact N-O 3.14Å; V608-E611 PolarHBondContact O-N 3.23Å; V608-E611 VanDerWaalsContact O-N 3.09Å; V608-C613 HydrophobicContact CG2-CB 4.22Å
609E92.7Very high96.3Very high157 Ų15739.2 Ų39.273%0.73418%0.183SC*.THydrogen-bonded Turntrans50.443.9-172.5-52.5-50.613000112.6H509 E611H509-E609 IonicContact CE1-OE1 2.71Å; E609-E611 PolarHBondContact O-N 3.29Å; E609-E611 VanDerWaalsContact O-N 3.1Å
610E92.3Very high96.4Very high171 Ų17141.7 Ų41.780%0.79921%0.208SC*.THydrogen-bonded Turntrans65.24-179.1-52.7-169.3151.900116.5Q607 V608Q607-E610 PolarHBondContact OE1-O 2.85Å; V608-E610 PolarHBondContact O-N 3.46Å
611E95.4Very high96.4Very high108 Ų10844.1 Ų44.151%0.50522%0.221SC..EExtended strand (participates in β ladder)trans-108.8149.5176.1-70.7-65.3166.400112.3Q607 V608 E609 C613 M616Q607-E611 WeakPolarHBondContact CA-O 3.36Å; V608-E611 PolarHBondContact N-O 3.14Å; V608-E611 PolarHBondContact O-N 3.23Å; V608-E611 VanDerWaalsContact O-N 3.09Å; E609-E611 PolarHBondContact O-N 3.29Å; E609-E611 VanDerWaalsContact O-N 3.1Å; E611-C613 PolarHBondContact O-N 3.12Å; E611-M616 HydrophobicContact CB-CG 4.01Å
612C97.3Very high96.5Very high3 Ų344.1 Ų44.12%0.0222%0.221CC..EExtended strand (participates in β ladder)trans-74114.5174.1178.70000109.9G605 L614 E615 M616G605-C612 VanDerWaalsContact CA-SG 3.55Å; G605-C612 PolarHBondContact N-SG 2.88Å; C612-L614 PolarHBondContact O-N 2.98Å; C612-E615 HydrophobicContact CB-CB 3.94Å; C612-E615 HydrophobicContact CB-CG 3.77Å; C612-E615 VanDerWaalsContact CB-OE1 3.3Å; C612-E615 WeakPolarHBondContact CB-OE1 3.32Å; C612-E615 PolarHBondContact O-N 2.94Å; C612-E615 VanDerWaalsContact O-N 3.12Å; C612-E615 PolarHBondContact SG-OE1 2.76Å; C612-M616 PolarHBondContact O-N 2.78Å
613C97.8Very high96.7Very high8 Ų845.4 Ų45.45%0.05423%0.228CC..Hα-helixtrans-65.2-25.1-174.871.40000113.7P606 V608 E611 H617P606-C613 PolarHBondContact O-N 2.84Å; P606-C613 PolarHBondContact O-SG 3.15Å; V608-C613 HydrophobicContact CG2-CB 4.22Å; E611-C613 PolarHBondContact O-N 3.12Å; C613-H617 VanDerWaalsContact O-CB 3.31Å; C613-H617 WeakPolarHBondContact O-CB 3.42Å; C613-H617 PolarHBondContact O-N 2.72Å; C613-H617 VanDerWaalsContact O-N 3.07Å
614L98.4Very high96.8Very high0 Ų050.3 Ų50.30%026%0.259CS..Hα-helixtrans-70.9-45.5173.3-69.6171.4000111.4L500 F501 P570 F585 M588 P603 C612 M616 H617 V618L500-L614 HydrophobicContact CD2-CD2 3.77Å; F501-L614 HydrophobicContact CE1-CD2 4.07Å; F501-L614 HydrophobicContact CE1-CG 4.29Å; F501-L614 HydrophobicContact CZ-CD1 4.38Å; F501-L614 HydrophobicContact CZ-CD2 4.42Å; P570-L614 HydrophobicContact CB-CD2 3.87Å; P570-L614 HydrophobicContact CG-CD2 3.76Å; F585-L614 HydrophobicContact CD1-CD1 4.35Å; F585-L614 HydrophobicContact CD2-CD1 4.23Å; F585-L614 HydrophobicContact CE1-CD1 3.97Å; F585-L614 HydrophobicContact CE2-CD1 3.9Å; F585-L614 HydrophobicContact CG-CD1 4.47Å; F585-L614 HydrophobicContact CZ-CD1 3.75Å; F585-L614 HydrophobicContact CZ-CD2 4.29Å; M588-L614 HydrophobicContact CE-CB 4.26Å; P603-L614 HydrophobicContact CB-CB 4.16Å; P603-L614 HydrophobicContact CB-CD1 3.85Å; P603-L614 HydrophobicContact CG-CB 3.75Å; P603-L614 HydrophobicContact CG-CD1 4.32Å; C612-L614 PolarHBondContact O-N 2.98Å; L614-M616 VanDerWaalsContact C-N 3.35Å; L614-M616 PolarHBondContact O-N 3.02Å; L614-H617 PolarHBondContact O-N 3.49Å; L614-V618 WeakPolarHBondContact O-CG2 3.22Å; L614-V618 PolarHBondContact O-N 2.87Å
615E98.4Very high97Very high13 Ų1352.1 Ų52.16%0.06127%0.269CS..Hα-helixtrans-60.5-46.9177.4-68.5175.3-134.800110.4K602 P603 C612 H617 V618 R619 F631K602-E615 WeakPolarHBondContact CG-OE1 3.31Å; K602-E615 IonicContact NZ-OE1 3.67Å; K602-E615 PolarHBondContact NZ-OE1 2.88Å; K602-E615 IonicContact NZ-OE2 2.75Å; K602-E615 PolarHBondContact NZ-OE2 2.88Å; P603-E615 HydrophobicContact CG-CG 3.74Å; C612-E615 HydrophobicContact CB-CB 3.94Å; C612-E615 HydrophobicContact CB-CG 3.77Å; C612-E615 VanDerWaalsContact CB-OE1 3.3Å; C612-E615 WeakPolarHBondContact CB-OE1 3.32Å; C612-E615 PolarHBondContact O-N 2.94Å; C612-E615 VanDerWaalsContact O-N 3.12Å; C612-E615 PolarHBondContact SG-OE1 2.76Å; E615-H617 VanDerWaalsContact C-N 3.32Å; E615-H617 PolarHBondContact O-N 2.91Å; E615-V618 PolarHBondContact O-N 2.83Å; E615-R619 WeakPolarHBondContact O-CG 3.41Å; E615-R619 PolarHBondContact O-N 2.92Å; E615-F631 HydrophobicContact CB-CD2 4.01Å; E615-F631 HydrophobicContact CB-CE1 4.15Å; E615-F631 HydrophobicContact CB-CE2 3.6Å; E615-F631 HydrophobicContact CB-CG 4.47Å; E615-F631 HydrophobicContact CB-CZ 3.68Å; E615-F631 HydrophobicContact CG-CD1 3.77Å; E615-F631 HydrophobicContact CG-CD2 3.82Å; E615-F631 HydrophobicContact CG-CE1 3.76Å; E615-F631 HydrophobicContact CG-CE2 3.84Å; E615-F631 HydrophobicContact CG-CG 3.8Å; E615-F631 HydrophobicContact CG-CZ 3.81Å
616M98.4Very high97.1Very high91 Ų9154 Ų5445%0.44829%0.289SS..Hα-helixtrans-63.2-37177.7-68.4-51.2-51.200113E611 C612 L614 G620E611-M616 HydrophobicContact CB-CG 4.01Å; C612-M616 PolarHBondContact O-N 2.78Å; L614-M616 VanDerWaalsContact C-N 3.35Å; L614-M616 PolarHBondContact O-N 3.02Å; M616-G620 PolarHBondContact O-N 3.19Å
617H98.6Very high97.2Very high60 Ų6054.1 Ų54.128%0.27829%0.29SS..Hα-helixtrans-65.7-46.5175.9-174.181.7000111.4L500 C613 L614 E615 R619 G620 L621L500-H617 HydrophobicContact CD1-CB 4.5Å; L500-H617 HydrophobicContact CD2-CB 3.94Å; C613-H617 VanDerWaalsContact O-CB 3.31Å; C613-H617 WeakPolarHBondContact O-CB 3.42Å; C613-H617 PolarHBondContact O-N 2.72Å; C613-H617 VanDerWaalsContact O-N 3.07Å; L614-H617 PolarHBondContact O-N 3.49Å; E615-H617 VanDerWaalsContact C-N 3.32Å; E615-H617 PolarHBondContact O-N 2.91Å; H617-R619 PolarHBondContact O-N 2.89Å; H617-G620 PolarHBondContact O-N 2.9Å; H617-L621 WeakPolarHBondContact O-CG 3.49Å; H617-L621 PolarHBondContact O-N 2.95Å; H617-L621 VanDerWaalsContact O-N 3.13Å
618V98.7Very high97.4Very high0 Ų055.6 Ų55.60%030%0.296CS..Hα-helixtrans-62.5-43.2177.3171.80000111.4L569 P570 M588 I600 L614 E615 G620 L621 L622 F631L569-V618 HydrophobicContact CD2-CG1 4.37Å; L569-V618 HydrophobicContact CD2-CG2 4.29Å; P570-V618 HydrophobicContact CG-CG2 4.43Å; M588-V618 HydrophobicContact CE-CG2 3.6Å; M588-V618 HydrophobicContact SD-CG2 3.72Å; I600-V618 HydrophobicContact CD1-CG1 3.95Å; L614-V618 WeakPolarHBondContact O-CG2 3.22Å; L614-V618 PolarHBondContact O-N 2.87Å; E615-V618 PolarHBondContact O-N 2.83Å; V618-G620 VanDerWaalsContact C-N 3.31Å; V618-G620 PolarHBondContact O-N 2.83Å; V618-L621 PolarHBondContact O-N 2.83Å; V618-L621 VanDerWaalsContact O-N 3.08Å; V618-L622 HydrophobicContact CG1-CD1 3.71Å; V618-L622 HydrophobicContact CG1-CG 4.24Å; V618-L622 PolarHBondContact O-N 2.84Å; V618-F631 HydrophobicContact CB-CZ 4.17Å; V618-F631 HydrophobicContact CG1-CZ 4.2Å
619R98.7Very high97.6Very high65 Ų6555.1 Ų55.125%0.24529%0.294CS..Hα-helixtrans-55.7-46.8172.3-73.4-173.9-174-70.1-6.1111.6E615 H617 L621 L622 E623 P624 C629 F631E615-R619 WeakPolarHBondContact O-CG 3.41Å; E615-R619 PolarHBondContact O-N 2.92Å; H617-R619 PolarHBondContact O-N 2.89Å; R619-L621 PolarHBondContact O-N 2.84Å; R619-L622 PolarHBondContact O-N 3.08Å; R619-E623 HydrophobicContact CB-CG 4.12Å; R619-E623 VanDerWaalsContact CD-OE1 3.25Å; R619-E623 WeakPolarHBondContact CD-OE1 3.31Å; R619-E623 HydrophobicContact CG-CG 4.4Å; R619-E623 VanDerWaalsContact CG-OE1 3.23Å; R619-E623 WeakPolarHBondContact CG-OE1 3.14Å; R619-E623 IonicContact CZ-OE1 2.73Å; R619-E623 IonicContact NE-OE1 3.15Å; R619-E623 IonicContact NH1-OE1 2.83Å; R619-E623 PolarHBondContact NH1-OE1 2.92Å; R619-E623 VanDerWaalsContact O-CB 3.28Å; R619-E623 WeakPolarHBondContact O-CB 3.27Å; R619-E623 WeakPolarHBondContact O-CG 3.42Å; R619-E623 PolarHBondContact O-N 2.83Å; R619-P624 WeakPolarHBondContact O-CD 3.18Å; R619-C629 HydrophobicContact CG-CB 4.2Å; R619-C629 PolarHBondContact NH1-O 2.83Å; R619-C629 PolarHBondContact NH2-O 3.35Å; R619-C629 VanDerWaalsContact NH2-O 3.1Å; R619-F631 HydrophobicContact CG-CE2 4.05Å
620G98.6Very high97.8Very high51 Ų5148.9 Ų48.953%0.52627%0.266SS..Hα-helixtrans-61.7-22.2177.600000114.8M616 H617 V618 P624M616-G620 PolarHBondContact O-N 3.19Å; H617-G620 PolarHBondContact O-N 2.9Å; V618-G620 VanDerWaalsContact C-N 3.31Å; V618-G620 PolarHBondContact O-N 2.83Å; G620-P624 WeakPolarHBondContact O-CG 3.38Å
621L98.6Very high98Very high52 Ų5241.6 Ų41.627%0.27223%0.232SC..Hα-helixtrans-87-42.4174.3-65.2173.3000112.4I567 D568 L569 H617 V618 R619I567-L621 HydrophobicContact CG2-CB 4.19Å; I567-L621 HydrophobicContact CG2-CD1 4.06Å; D568-L621 WeakPolarHBondContact O-CD1 3.46Å; L569-L621 HydrophobicContact CD2-CD1 4.11Å; H617-L621 WeakPolarHBondContact O-CG 3.49Å; H617-L621 PolarHBondContact O-N 2.95Å; H617-L621 VanDerWaalsContact O-N 3.13Å; V618-L621 PolarHBondContact O-N 2.83Å; V618-L621 VanDerWaalsContact O-N 3.08Å; R619-L621 PolarHBondContact O-N 2.84Å
622L98.6Very high97.9Very high0 Ų036.5 Ų36.50%021%0.208CC..Hα-helixtrans-98.8-39-166.9-58.3-176.2000113.9L490 I567 L598 I600 V618 R619 P624 L625 L627L490-L622 HydrophobicContact CD2-CD2 4.03Å; I567-L622 HydrophobicContact CD1-CD2 4.2Å; I567-L622 HydrophobicContact CG2-CD2 4.36Å; L598-L622 HydrophobicContact CD1-CD1 3.82Å; I600-L622 HydrophobicContact CD1-CD1 4.17Å; V618-L622 HydrophobicContact CG1-CD1 3.71Å; V618-L622 HydrophobicContact CG1-CG 4.24Å; V618-L622 PolarHBondContact O-N 2.84Å; R619-L622 PolarHBondContact O-N 3.08Å; L622-P624 VanDerWaalsContact C-CD 3.46Å; L622-L625 VanDerWaalsContact O-CB 3.31Å; L622-L625 WeakPolarHBondContact O-CB 3.37Å; L622-L625 PolarHBondContact O-N 3.33Å; L622-L627 HydrophobicContact CB-CB 4.22Å; L622-L627 HydrophobicContact CB-CD1 4.21Å; L622-L627 HydrophobicContact CD2-CD1 4.26Å; L622-L627 PolarHBondContact O-N 2.92Å
623E98.5Very high97.5Very high85 Ų8537.9 Ų37.940%0.39722%0.216SC..G310 helixtrans-62.4-34.3-179-65-179.3170.900113.8R619 L625 G626 L627R619-E623 HydrophobicContact CB-CG 4.12Å; R619-E623 VanDerWaalsContact CD-OE1 3.25Å; R619-E623 WeakPolarHBondContact CD-OE1 3.31Å; R619-E623 HydrophobicContact CG-CG 4.4Å; R619-E623 VanDerWaalsContact CG-OE1 3.23Å; R619-E623 WeakPolarHBondContact CG-OE1 3.14Å; R619-E623 IonicContact CZ-OE1 2.73Å; R619-E623 IonicContact NE-OE1 3.15Å; R619-E623 IonicContact NH1-OE1 2.83Å; R619-E623 PolarHBondContact NH1-OE1 2.92Å; R619-E623 VanDerWaalsContact O-CB 3.28Å; R619-E623 WeakPolarHBondContact O-CB 3.27Å; R619-E623 WeakPolarHBondContact O-CG 3.42Å; R619-E623 PolarHBondContact O-N 2.83Å; E623-L625 PolarHBondContact O-N 3.44Å; E623-L625 VanDerWaalsContact O-N 3.09Å; E623-G626 PolarHBondContact O-N 3.12Å; E623-L627 WeakPolarHBondContact CA-O 3.4Å
624P98.4Very high96.8Very high103 Ų10337.6 Ų37.667%0.66921%0.214SC*.G310 helixtrans-60.1-18.9172.9-26.536.7000114.5R619 G620 L622 G626R619-P624 WeakPolarHBondContact O-CD 3.18Å; G620-P624 WeakPolarHBondContact O-CG 3.38Å; L622-P624 VanDerWaalsContact C-CD 3.46Å; P624-G626 VanDerWaalsContact C-N 3.32Å
625L97.6Very high95.7Very high55 Ų5538 Ų3829%0.28822%0.216SC..G310 helixtrans-87.4-4.4175.8-54.1170.9000112.5P482 L488 I567 L622 E623 L627P482-L625 WeakPolarHBondContact CD-O 3.45Å; L488-L625 HydrophobicContact CD1-CD1 3.27Å; I567-L625 HydrophobicContact CD1-CD1 3.68Å; L622-L625 VanDerWaalsContact O-CB 3.31Å; L622-L625 WeakPolarHBondContact O-CB 3.37Å; L622-L625 PolarHBondContact O-N 3.33Å; E623-L625 PolarHBondContact O-N 3.44Å; E623-L625 VanDerWaalsContact O-N 3.09Å; L625-L627 HydrophobicContact CB-CD1 4.37Å; L625-L627 HydrophobicContact CB-CG 4.5Å; L625-L627 HydrophobicContact CD1-CD1 4.23Å
626G97.8Very high94.2Very high40 Ų4040 Ų4041%0.41223%0.231SC..THydrogen-bonded Turntrans87.612-174.500000114.4E623 P624E623-G626 PolarHBondContact O-N 3.12Å; P624-G626 VanDerWaalsContact C-N 3.32Å
627L98.4Very high92.7Very high3 Ų335.8 Ų35.82%0.01621%0.211CC..  trans-83.3134.5175.9-66.7164.8000110.8V479 P482 K596 L598 L622 E623 L625V479-L627 HydrophobicContact CB-CD1 4.28Å; V479-L627 HydrophobicContact CG2-CD1 3.85Å; P482-L627 HydrophobicContact CG-CD2 3.95Å; P482-L627 HydrophobicContact CG-CG 4.32Å; K596-L627 WeakPolarHBondContact O-CA 3.41Å; L598-L627 HydrophobicContact CD1-CB 3.94Å; L598-L627 HydrophobicContact CD1-CD1 4.14Å; L598-L627 HydrophobicContact CD1-CD2 4.26Å; L598-L627 HydrophobicContact CD1-CG 4.33Å; L598-L627 HydrophobicContact CD2-CD2 4.33Å; L598-L627 HydrophobicContact CG-CB 4.43Å; L598-L627 HydrophobicContact CG-CD2 4.35Å; L622-L627 HydrophobicContact CB-CB 4.22Å; L622-L627 HydrophobicContact CB-CD1 4.21Å; L622-L627 HydrophobicContact CD2-CD1 4.26Å; L622-L627 PolarHBondContact O-N 2.92Å; E623-L627 WeakPolarHBondContact CA-O 3.4Å; L625-L627 HydrophobicContact CB-CD1 4.37Å; L625-L627 HydrophobicContact CB-CG 4.5Å; L625-L627 HydrophobicContact CD1-CD1 4.23Å
628E98.3Very high91.5Very high84 Ų8432.9 Ų32.939%0.39320%0.197SC..EExtended strand (participates in β ladder)trans-98.5107.1-178.4-70.4-176.1-14200110.9K596 L598K596-E628 WeakPolarHBondContact CE-OE1 3.29Å; K596-E628 VanDerWaalsContact NZ-CD 3.3Å; K596-E628 IonicContact NZ-OE1 3.9Å; K596-E628 PolarHBondContact NZ-OE1 3.46Å; K596-E628 IonicContact NZ-OE2 2.77Å; K596-E628 PolarHBondContact O-N 2.88Å; L598-E628 PolarHBondContact N-O 2.58Å
629C98.3Very high90.3Very high8 Ų834.2 Ų34.25%0.05420%0.203CC..EExtended strand (participates in β ladder)trans-85.8118.6-175.9-61.90000111.8I600 R619 F631I600-C629 HydrophobicContact CD1-CB 3.93Å; R619-C629 HydrophobicContact CG-CB 4.2Å; R619-C629 PolarHBondContact NH1-O 2.83Å; R619-C629 PolarHBondContact NH2-O 3.35Å; R619-C629 VanDerWaalsContact NH2-O 3.1Å; C629-F631 HydrophobicContact CB-CE2 4.27Å
630T97.7Very high89.1Confident26 Ų2637.8 Ų37.816%0.1622%0.221CC..EExtended strand (participates in β ladder)trans-114.5115.2170.6-54.20000109K330 L598 I600K330-T630 PolarHBondContact NZ-OG1 3.28Å; L598-T630 WeakPolarHBondContact O-CA 3.35Å; L598-T630 WeakPolarHBondContact O-CB 3.44Å; L598-T630 PolarHBondContact O-N 2.72Å; I600-T630 PolarHBondContact N-O 3.03Å
631F95.8Very high87.3Confident19 Ų1940.9 Ų40.98%0.08322%0.22CC..EExtended strand (participates in β ladder)trans-87124.1178.2-66-82.2000110.7M588 I600 K602 E615 V618 R619 C629M588-F631 HydrophobicContact SD-CE1 4.24Å; I600-F631 HydrophobicContact CB-CD1 3.9Å; I600-F631 HydrophobicContact CB-CE1 3.99Å; I600-F631 HydrophobicContact CD1-CE1 4.36Å; I600-F631 HydrophobicContact CD1-CZ 4.5Å; I600-F631 HydrophobicContact CG2-CD1 3.85Å; I600-F631 HydrophobicContact CG2-CE1 3.66Å; I600-F631 CarbonylContact O-C 3.5Å; I600-F631 VanDerWaalsContact O-CA 3.22Å; I600-F631 WeakPolarHBondContact O-CA 3.47Å; K602-F631 HydrophobicContact CB-CB 4.21Å; K602-F631 HydrophobicContact CG-CB 4.3Å; E615-F631 HydrophobicContact CB-CD2 4.01Å; E615-F631 HydrophobicContact CB-CE1 4.15Å; E615-F631 HydrophobicContact CB-CE2 3.6Å; E615-F631 HydrophobicContact CB-CG 4.47Å; E615-F631 HydrophobicContact CB-CZ 3.68Å; E615-F631 HydrophobicContact CG-CD1 3.77Å; E615-F631 HydrophobicContact CG-CD2 3.82Å; E615-F631 HydrophobicContact CG-CE1 3.76Å; E615-F631 HydrophobicContact CG-CE2 3.84Å; E615-F631 HydrophobicContact CG-CG 3.8Å; E615-F631 HydrophobicContact CG-CZ 3.81Å; V618-F631 HydrophobicContact CB-CZ 4.17Å; V618-F631 HydrophobicContact CG1-CZ 4.2Å; R619-F631 HydrophobicContact CG-CE2 4.05Å; C629-F631 HydrophobicContact CB-CE2 4.27Å
632I93.4Very high86.1Confident0 Ų042.2 Ų42.20%023%0.227CC..EExtended strand (participates in β ladder)trans-108.6126.4-174.5-59.7-178.3000109.4F320 E323 V324 L327 I600 K602 D634 V645F320-I632 HydrophobicContact CD2-CG2 3.57Å; F320-I632 HydrophobicContact CE2-CG2 3.96Å; F320-I632 HydrophobicContact CG-CG2 4.48Å; E323-I632 HydrophobicContact CB-CG1 4.26Å; E323-I632 HydrophobicContact CB-CG2 4Å; E323-I632 WeakPolarHBondContact OE2-CA 3.23Å; V324-I632 HydrophobicContact CG2-CD1 4.01Å; V324-I632 HydrophobicContact CG2-CG2 4.38Å; L327-I632 HydrophobicContact CD2-CD1 4.11Å; I600-I632 PolarHBondContact O-N 2.9Å; K602-I632 WeakPolarHBondContact CB-O 3.46Å; K602-I632 PolarHBondContact N-O 3.18Å; I632-D634 PolarHBondContact O-N 2.89Å; I632-V645 HydrophobicContact CB-CG2 4.01Å; I632-V645 HydrophobicContact CD1-CG1 4.24Å; I632-V645 HydrophobicContact CG2-CG2 4.17Å
633D89.7Confident84.1Confident33 Ų3342.5 Ų42.518%0.17623%0.23CC..  trans-78.2104.2174.5-177-2.2000110.8E323 F604 I635E323-D633 PolarHBondContact OE2-N 2.81Å; F604-D633 HydrophobicContact CZ-CB 4.31Å; F604-D633 WeakPolarHBondContact CZ-OD1 3.21Å; D633-I635 VanDerWaalsContact OD1-CG2 3.31Å; D633-I635 WeakPolarHBondContact OD1-CG2 3.17Å; D633-I635 PolarHBondContact OD1-N 3.13Å; D633-I635 VanDerWaalsContact OD1-N 3.09Å
634D81.7Confident82.9Confident2 Ų238.6 Ų38.61%0.01121%0.212CC..  trans-109.2-1.7175.764.62.8000112.6F320 I632 S636 A637 Y638 E644 V645F320-D634 HydrophobicContact CD2-CB 3.82Å; F320-D634 HydrophobicContact CE2-CB 4.05Å; I632-D634 PolarHBondContact O-N 2.89Å; D634-S636 VanDerWaalsContact C-N 3.3Å; D634-S636 PolarHBondContact O-N 3.21Å; D634-S636 VanDerWaalsContact O-N 3.15Å; D634-A637 CarbonylContact O-C 3.58Å; D634-A637 PolarHBondContact O-N 3.42Å; D634-Y638 HydrophobicContact CB-CD2 3.85Å; D634-Y638 HydrophobicContact CB-CG 4.38Å; D634-Y638 PolarHBondContact O-N 3.13Å; D634-E644 WeakPolarHBondContact OD2-CA 3.42Å; D634-V645 HydrophobicContact CB-CG2 4.05Å; D634-V645 VanDerWaalsContact OD2-CG2 3.25Å; D634-V645 WeakPolarHBondContact OD2-CG2 3.22Å; D634-V645 PolarHBondContact OD2-N 2.79Å
635I76.1Confident81.4Confident9 Ų933.7 Ų33.75%0.04618%0.18CC..THydrogen-bonded Turntrans-66.3-34.3-159.4-163.5146.6000113L518 P586 F604 D633 A637 H639 K640L518-I635 HydrophobicContact CD1-CD1 3.37Å; L518-I635 HydrophobicContact CD1-CG1 4.09Å; L518-I635 HydrophobicContact CD1-CG2 4.07Å; L518-I635 HydrophobicContact CD2-CG2 3.59Å; P586-I635 HydrophobicContact CG-CD1 4.13Å; F604-I635 HydrophobicContact CD2-CB 4.31Å; F604-I635 HydrophobicContact CD2-CD1 3.65Å; F604-I635 HydrophobicContact CD2-CG2 4.46Å; F604-I635 HydrophobicContact CE2-CB 3.78Å; F604-I635 HydrophobicContact CE2-CD1 4.02Å; F604-I635 HydrophobicContact CE2-CG2 3.72Å; F604-I635 HydrophobicContact CG-CD1 4.33Å; F604-I635 HydrophobicContact CZ-CB 4.46Å; F604-I635 HydrophobicContact CZ-CG2 3.9Å; D633-I635 VanDerWaalsContact OD1-CG2 3.31Å; D633-I635 WeakPolarHBondContact OD1-CG2 3.17Å; D633-I635 PolarHBondContact OD1-N 3.13Å; D633-I635 VanDerWaalsContact OD1-N 3.09Å; I635-A637 VanDerWaalsContact C-N 3.29Å; I635-H639 HydrophobicContact CB-CB 4.34Å; I635-H639 HydrophobicContact CG1-CB 3.94Å; I635-K640 WeakPolarHBondContact O-CG 3.41Å; I635-K640 PolarHBondContact O-N 2.74Å
636S67.3Low79.7Confident53 Ų5331.7 Ų31.737%0.37117%0.169SC..THydrogen-bonded Turntrans-75.1-24.1179.7-71.60000112.7D634D634-S636 VanDerWaalsContact C-N 3.3Å; D634-S636 PolarHBondContact O-N 3.21Å; D634-S636 VanDerWaalsContact O-N 3.15Å
637A66.2Low78.7Confident3 Ų330.1 Ų30.13%0.02515%0.151CC..THydrogen-bonded Turntrans-106.2-38.9-170.200000113.2N317 R347 D634 I635 F641N317-A637 HydrophobicContact CB-CB 3.51Å; R347-A637 WeakPolarHBondContact CD-O 3.29Å; R347-A637 VanDerWaalsContact CZ-CA 3.48Å; R347-A637 PolarHBondContact NE-O 2.82Å; R347-A637 PolarHBondContact NH1-O 2.98Å; D634-A637 CarbonylContact O-C 3.58Å; D634-A637 PolarHBondContact O-N 3.42Å; I635-A637 VanDerWaalsContact C-N 3.29Å; A637-F641 VanDerWaalsContact O-CD2 3.27Å; A637-F641 WeakPolarHBondContact O-CD2 3.41Å
638Y73.9Confident77.8Confident0 Ų030 Ų300%015%0.151CC..THydrogen-bonded Turntrans-120.8-55-169-61.1-89.4000111.7C312 N317 F320 R347 W348 D634 K640 F641 G643 G648C312-Y638 PolarHBondContact O-OH 3.03Å; N317-Y638 HydrophobicContact CB-CE2 4.21Å; N317-Y638 PolarHBondContact ND2-OH 3.38Å; F320-Y638 HydrophobicContact CB-CE2 4.44Å; F320-Y638 AromaticContact CD1-CE2 3.5Å; F320-Y638 HydrophobicContact CD1-CE2 3.5Å; F320-Y638 AromaticContact CD1-CZ 3.99Å; F320-Y638 HydrophobicContact CD2-CD2 4.16Å; F320-Y638 AromaticContact CD2-CE2 3.88Å; F320-Y638 HydrophobicContact CD2-CE2 3.88Å; F320-Y638 AromaticContact CE1-CE2 3.49Å; F320-Y638 HydrophobicContact CE1-CE2 3.49Å; F320-Y638 VanDerWaalsContact CE1-CE2 3.49Å; F320-Y638 AromaticContact CE1-CZ 3.6Å; F320-Y638 VanDerWaalsContact CE1-OH 3.28Å; F320-Y638 WeakPolarHBondContact CE1-OH 3.37Å; F320-Y638 HydrophobicContact CE2-CD2 4.16Å; F320-Y638 AromaticContact CE2-CE2 3.89Å; F320-Y638 HydrophobicContact CE2-CE2 3.89Å; F320-Y638 HydrophobicContact CG-CD2 4.34Å; F320-Y638 AromaticContact CG-CE2 3.68Å; F320-Y638 HydrophobicContact CG-CE2 3.68Å; F320-Y638 HydrophobicContact CZ-CD2 4.34Å; F320-Y638 AromaticContact CZ-CE2 3.7Å; F320-Y638 HydrophobicContact CZ-CE2 3.7Å; F320-Y638 AromaticContact CZ-CZ 3.91Å; R347-Y638 HydrophobicContact CB-CD1 4.19Å; R347-Y638 HydrophobicContact CB-CE1 3.69Å; W348-Y638 HydrophobicContact CE3-CD1 4.16Å; W348-Y638 HydrophobicContact CH2-CD1 4.08Å; W348-Y638 AromaticContact CZ3-CD1 3.61Å; W348-Y638 HydrophobicContact CZ3-CD1 3.61Å; W348-Y638 HydrophobicContact CZ3-CG 4.42Å; D634-Y638 HydrophobicContact CB-CD2 3.85Å; D634-Y638 HydrophobicContact CB-CG 4.38Å; D634-Y638 PolarHBondContact O-N 3.13Å; Y638-K640 VanDerWaalsContact C-N 3.31Å; Y638-K640 PolarHBondContact O-N 3.48Å; Y638-K640 VanDerWaalsContact O-N 3.15Å; Y638-F641 CarbonylContact O-C 3.56Å; Y638-F641 WeakPolarHBondContact O-CA 3.41Å; Y638-F641 WeakPolarHBondContact O-CB 3.39Å; Y638-F641 PolarHBondContact O-N 2.97Å; Y638-G643 CarbonylContact C-O 3.57Å; Y638-G648 VanDerWaalsContact CE1-CA 3.45Å
639H73.3Confident77.3Confident28 Ų2826 Ų2613%0.1313%0.132CC..G310 helixtrans-58.4-36.1-174.4-17466.6000114.5P586 I635 F641 L642 G643 E644P586-H639 HydrophobicContact CG-CB 4.23Å; P586-H639 VanDerWaalsContact N-CE1 3.31Å; I635-H639 HydrophobicContact CB-CB 4.34Å; I635-H639 HydrophobicContact CG1-CB 3.94Å; H639-F641 PolarHBondContact O-N 2.84Å; H639-F641 VanDerWaalsContact O-N 3.07Å; H639-L642 PolarHBondContact O-N 2.94Å; H639-L642 VanDerWaalsContact O-N 3.1Å; H639-G643 WeakPolarHBondContact CA-O 3.38Å; H639-G643 PolarHBondContact N-O 3.17Å; H639-E644 IonicContact CE1-OE1 3.26Å; H639-E644 IonicContact CG-OE1 3.79Å; H639-E644 IonicContact CG-OE2 3.58Å; H639-E644 IonicContact ND1-OE1 3.31Å; H639-E644 PolarHBondContact ND1-OE1 2.99Å; H639-E644 IonicContact ND1-OE2 2.58Å; H639-E644 PolarHBondContact ND1-OE2 3.34Å
640K74.1Confident77.2Confident140 Ų14025.9 Ų25.961%0.60913%0.131SC*.G310 helixtrans-59.6-19.2174-76.4172.3-167.2167.70113.7I635 Y638I635-K640 WeakPolarHBondContact O-CG 3.41Å; I635-K640 PolarHBondContact O-N 2.74Å; Y638-K640 VanDerWaalsContact C-N 3.31Å; Y638-K640 PolarHBondContact O-N 3.48Å; Y638-K640 VanDerWaalsContact O-N 3.15Å
641F60.6Low77.2Confident116 Ų11625.3 Ų25.351%0.50913%0.128SC..G310 helixtrans-11121.1-178.2-58.1-84.6000112.2W348 A637 Y638 H639W348-F641 HydrophobicContact CH2-CB 4.24Å; W348-F641 HydrophobicContact CZ2-CB 3.67Å; A637-F641 VanDerWaalsContact O-CD2 3.27Å; A637-F641 WeakPolarHBondContact O-CD2 3.41Å; Y638-F641 CarbonylContact O-C 3.56Å; Y638-F641 WeakPolarHBondContact O-CA 3.41Å; Y638-F641 WeakPolarHBondContact O-CB 3.39Å; Y638-F641 PolarHBondContact O-N 2.97Å; H639-F641 PolarHBondContact O-N 2.84Å; H639-F641 VanDerWaalsContact O-N 3.07Å
642L72.8Confident77.3Confident80 Ų8027 Ų2742%0.41913%0.133SC..THydrogen-bonded Turntrans65.732.2175.2-50.6176000114.9V469 R582 H639V469-L642 HydrophobicContact CG2-CB 3.93Å; V469-L642 WeakPolarHBondContact CG2-O 3.44Å; R582-L642 HydrophobicContact CB-CD2 4Å; H639-L642 PolarHBondContact O-N 2.94Å; H639-L642 VanDerWaalsContact O-N 3.1Å
643G56.2Low77.6Confident6 Ų627.7 Ų27.76%0.06214%0.136CC..  trans-144.8172.3169.800000111.8Y638 H639Y638-G643 CarbonylContact C-O 3.57Å; H639-G643 WeakPolarHBondContact CA-O 3.38Å; H639-G643 PolarHBondContact N-O 3.17Å
644E74.6Confident78Confident3 Ų331.9 Ų31.91%0.01415%0.153CC..  trans-128.8-173.3-173.2-51.1-58.416100112.3P586 N587 N590 P601 D634 H639 H646 C647 G648P586-E644 WeakPolarHBondContact CA-OE1 3.48Å; P586-E644 VanDerWaalsContact CA-OE2 3.29Å; P586-E644 WeakPolarHBondContact CA-OE2 3.5Å; P586-E644 WeakPolarHBondContact CB-OE2 3.34Å; N587-E644 HydrophobicContact CB-CG 3.89Å; N587-E644 VanDerWaalsContact N-CD 3.31Å; N587-E644 PolarHBondContact N-OE1 2.99Å; N590-E644 HydrophobicContact CB-CB 4.18Å; N590-E644 HydrophobicContact CB-CG 4.43Å; P601-E644 HydrophobicContact CB-CB 4.31Å; P601-E644 HydrophobicContact CG-CB 3.82Å; P601-E644 HydrophobicContact CG-CG 4.48Å; D634-E644 WeakPolarHBondContact OD2-CA 3.42Å; H639-E644 IonicContact CE1-OE1 3.26Å; H639-E644 IonicContact CG-OE1 3.79Å; H639-E644 IonicContact CG-OE2 3.58Å; H639-E644 IonicContact ND1-OE1 3.31Å; H639-E644 PolarHBondContact ND1-OE1 2.99Å; H639-E644 IonicContact ND1-OE2 2.58Å; H639-E644 PolarHBondContact ND1-OE2 3.34Å; E644-H646 VanDerWaalsContact C-N 3.35Å; E644-H646 PolarHBondContact O-N 3.28Å; E644-C647 WeakPolarHBondContact O-CB 3.33Å; E644-C647 PolarHBondContact O-N 2.8Å; E644-C647 VanDerWaalsContact O-N 3.11Å; E644-G648 PolarHBondContact O-N 3.21Å
645V65.2Low78.8Confident0 Ų034.8 Ų34.80%017%0.171CC..THydrogen-bonded Turntrans-42.6-54.3-179.7-177.80000113.1F320 I592 P601 I632 D634 G648 T649F320-V645 HydrophobicContact CE2-CB 4.19Å; F320-V645 HydrophobicContact CE2-CG1 3.9Å; F320-V645 HydrophobicContact CE2-CG2 4.09Å; F320-V645 HydrophobicContact CZ-CG1 4.31Å; I592-V645 HydrophobicContact CD1-CG1 3.54Å; I592-V645 HydrophobicContact CG1-CG1 3.56Å; P601-V645 HydrophobicContact CB-CG2 3.92Å; P601-V645 HydrophobicContact CG-CB 3.98Å; P601-V645 HydrophobicContact CG-CG2 3.67Å; I632-V645 HydrophobicContact CB-CG2 4.01Å; I632-V645 HydrophobicContact CD1-CG1 4.24Å; I632-V645 HydrophobicContact CG2-CG2 4.17Å; D634-V645 HydrophobicContact CB-CG2 4.05Å; D634-V645 VanDerWaalsContact OD2-CG2 3.25Å; D634-V645 WeakPolarHBondContact OD2-CG2 3.22Å; D634-V645 PolarHBondContact OD2-N 2.79Å; V645-G648 CarbonylContact O-C 3.58Å; V645-G648 WeakPolarHBondContact O-CA 3.3Å; V645-G648 PolarHBondContact O-N 2.78Å; V645-G648 VanDerWaalsContact O-N 3.09Å; V645-T649 PolarHBondContact O-N 2.86Å; V645-T649 PolarHBondContact O-OG1 2.89Å
646H62.7Low79.9Confident13 Ų1334.9 Ų34.96%0.0617%0.172CC..G310 helixtrans-67.2-40.2-177.4173-89.1000112.3Q350 E412 D473 N590 E644 G648 T649Q350-H646 WeakPolarHBondContact CB-O 3.3Å; Q350-H646 VanDerWaalsContact CD-CE1 3.5Å; Q350-H646 PolarHBondContact NE2-CE1 2.88Å; E412-H646 IonicContact OE1-CE1 3.68Å; E412-H646 PolarHBondContact OE1-CE1 3.27Å; E412-H646 IonicContact OE1-NE2 3.69Å; D473-H646 IonicContact OD2-CE1 3.53Å; D473-H646 IonicContact OD2-ND1 3.07Å; D473-H646 PolarHBondContact OD2-ND1 2.82Å; N590-H646 HydrophobicContact CB-CB 4.45Å; N590-H646 WeakPolarHBondContact O-CB 3.44Å; N590-H646 PolarHBondContact O-N 2.81Å; N590-H646 WeakPolarHBondContact OD1-CB 3.33Å; N590-H646 PolarHBondContact OD1-ND1 2.85Å; E644-H646 VanDerWaalsContact C-N 3.35Å; E644-H646 PolarHBondContact O-N 3.28Å; H646-G648 PolarHBondContact O-N 3.32Å; H646-T649 CarbonylContact O-C 3.57Å; H646-T649 PolarHBondContact O-N 2.63Å
647C75.8Confident81.4Confident6 Ų638.9 Ų38.94%0.04119%0.194CC..G310 helixtrans-55.2-28.5171-55.40000113.1W348 Q350 D473 N590 E644W348-C647 WeakPolarHBondContact CA-O 3.21Å; W348-C647 HydrophobicContact CE3-CB 3.53Å; W348-C647 HydrophobicContact CZ3-CB 3.58Å; Q350-C647 WeakPolarHBondContact CB-O 3.49Å; Q350-C647 PolarHBondContact N-O 3.03Å; D473-C647 PolarHBondContact OD2-SG 3.04Å; D473-C647 VanDerWaalsContact OD2-SG 3.38Å; N590-C647 PolarHBondContact ND2-SG 3.09Å; E644-C647 WeakPolarHBondContact O-CB 3.33Å; E644-C647 PolarHBondContact O-N 2.8Å; E644-C647 VanDerWaalsContact O-N 3.11Å
648G79.8Confident82.9Confident0 Ų042 Ų420%021%0.207CC..G310 helixtrans-88.7-2.7179.400000116Y638 E644 V645 H646Y638-G648 VanDerWaalsContact CE1-CA 3.45Å; E644-G648 PolarHBondContact O-N 3.21Å; V645-G648 CarbonylContact O-C 3.58Å; V645-G648 WeakPolarHBondContact O-CA 3.3Å; V645-G648 PolarHBondContact O-N 2.78Å; V645-G648 VanDerWaalsContact O-N 3.09Å; H646-G648 PolarHBondContact O-N 3.32Å
649T88.9Confident84.1Confident1 Ų145.1 Ų45.11%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-139.5155.3-17658.30000111.6F310 V311 F320 Q350 I592 V645 H646F310-T649 CarbonylContact O-C 3.55Å; F310-T649 WeakPolarHBondContact O-CA 3.04Å; F310-T649 WeakPolarHBondContact O-CB 3.24Å; V311-T649 HydrophobicContact CB-CG2 4.11Å; V311-T649 HydrophobicContact CG2-CG2 3.96Å; F320-T649 HydrophobicContact CE1-CG2 4.42Å; F320-T649 HydrophobicContact CZ-CG2 3.96Å; Q350-T649 PolarHBondContact OE1-O 3.03Å; I592-T649 HydrophobicContact CD1-CG2 3.79Å; I592-T649 WeakPolarHBondContact CG1-OG1 3.26Å; V645-T649 PolarHBondContact O-N 2.86Å; V645-T649 PolarHBondContact O-OG1 2.89Å; H646-T649 CarbonylContact O-C 3.57Å; H646-T649 PolarHBondContact O-N 2.63Å
650N95.9Very high85.3Confident5 Ų543.8 Ų43.83%0.02721%0.214CC..EExtended strand (participates in β ladder)trans-139.5138.4172.9-164.3-28.5000109.7F310 I349 Q350 I353 F355F310-N650 WeakPolarHBondContact CB-O 3.14Å; F310-N650 PolarHBondContact N-O 2.95Å; F310-N650 PolarHBondContact O-N 2.87Å; I349-N650 HydrophobicContact CG2-CB 4.15Å; Q350-N650 VanDerWaalsContact OE1-CB 3.29Å; Q350-N650 PolarHBondContact OE1-ND2 3.09Å; Q350-N650 PolarHBondContact OE1-OD1 2.78Å; I353-N650 PolarHBondContact O-ND2 2.94Å; F355-N650 HydrophobicContact CD2-CB 4.4Å; F355-N650 WeakPolarHBondContact CD2-OD1 3.02Å; F355-N650 HydrophobicContact CE2-CB 3.96Å
651V97.9Very high86.5Confident15 Ų1537.6 Ų37.69%0.09119%0.187CC..EExtended strand (participates in β ladder)trans-113.9114.6-172.4-175.50000110.4P306 V309 I592 L594 R653P306-V651 HydrophobicContact CB-CG1 3.77Å; V309-V651 HydrophobicContact CG2-CG2 4.31Å; I592-V651 HydrophobicContact CG2-CG2 3.96Å; L594-V651 HydrophobicContact CD2-CG1 4.03Å; L594-V651 HydrophobicContact CD2-CG2 4.19Å; V651-R653 HydrophobicContact CG1-CG 4.07Å
652R98.1Very high88.3Confident55 Ų5535.5 Ų35.521%0.20818%0.179CC..EExtended strand (participates in β ladder)trans-77.5128.1167.4-174-166.865.7156.8-6.6109.5V307 S308 F310 F355V307-R652 PolarHBondContact N-O 3.03Å; S308-R652 PolarHBondContact N-O 2.86Å; S308-R652 PolarHBondContact O-N 3.46Å; S308-R652 PolarHBondContact OG-NH2 2.83Å; F310-R652 HydrophobicContact CE2-CB 4.17Å; F355-R652 HydrophobicContact CB-CG 4.5Å; F355-R652 HydrophobicContact CD2-CB 4.03Å; F355-R652 HydrophobicContact CE2-CB 4.4Å; F355-R652 HydrophobicContact CG-CB 4.12Å; F355-R652 HydrophobicContact CG-CG 4.42Å
653R98.7Very high89.4Confident14 Ų1432 Ų325%0.05316%0.16CC..EExtended strand (participates in β ladder)trans-114.8166.9-178.7-56.8178-179.2-77.2-3.8111.9T300 P301 N302 L304 P305 V593 V651T300-R653 HydrophobicContact CG2-CB 4.33Å; P301-R653 WeakPolarHBondContact O-CD 3.34Å; N302-R653 PolarHBondContact O-NH1 3.47Å; N302-R653 PolarHBondContact OD1-NE 2.87Å; N302-R653 PolarHBondContact OD1-NH2 2.83Å; L304-R653 HydrophobicContact CB-CB 3.95Å; L304-R653 WeakPolarHBondContact O-CD 3.47Å; L304-R653 PolarHBondContact O-NH1 3.45Å; P305-R653 WeakPolarHBondContact O-CA 3.23Å; P305-R653 WeakPolarHBondContact O-CB 3.44Å; V593-R653 PolarHBondContact O-NH1 2.79Å; V593-R653 PolarHBondContact O-NH2 3.1Å; V651-R653 HydrophobicContact CG1-CG 4.07Å
654K98.5Very high91.4Very high121 Ų12136.5 Ų36.553%0.52619%0.186SC..PPolyproline II helixtrans-66.7148.4169.7-66.7-171-179178.40110.1L304 P305 V307L304-K654 VanDerWaalsContact CD1-O 3.25Å; L304-K654 WeakPolarHBondContact CD1-O 3.15Å; P305-K654 HydrophobicContact CB-CD 4.11Å; P305-K654 HydrophobicContact CB-CG 4.29Å; P305-K654 HydrophobicContact CG-CD 4.48Å; P305-K654 PolarHBondContact O-N 2.86Å; V307-K654 HydrophobicContact CG2-CB 4.48Å; V307-K654 HydrophobicContact CG2-CG 3.54Å
655P98.6Very high92.2Very high62 Ų6238.8 Ų38.840%0.40320%0.202SC..PPolyproline II helixtrans-66.3164.117329.7-35.9000111.5Y357Y357-P655 HydrophobicContact CD1-CB 3.82Å; Y357-P655 HydrophobicContact CD2-CB 3.58Å; Y357-P655 HydrophobicContact CE1-CB 3.74Å; Y357-P655 HydrophobicContact CE2-CB 3.49Å; Y357-P655 VanDerWaalsContact CE2-CB 3.49Å; Y357-P655 HydrophobicContact CG-CB 3.74Å
656F98.8Very high93.5Very high12 Ų1240.8 Ų40.85%0.05321%0.212CC..PPolyproline II helixtrans-62.1146.9171.3-69.9-83.3000111I298 P301 L304 Y357 P416 L426 F658I298-F656 HydrophobicContact CG2-CD2 4.44Å; P301-F656 HydrophobicContact CG-CE1 4.07Å; P301-F656 HydrophobicContact CG-CE2 4.41Å; P301-F656 HydrophobicContact CG-CZ 3.52Å; L304-F656 HydrophobicContact CD1-CD1 3.98Å; L304-F656 HydrophobicContact CD1-CD2 3.91Å; L304-F656 HydrophobicContact CD1-CE1 3.94Å; L304-F656 HydrophobicContact CD1-CE2 3.9Å; L304-F656 HydrophobicContact CD1-CG 3.98Å; L304-F656 HydrophobicContact CD1-CZ 3.94Å; L304-F656 HydrophobicContact CD2-CD1 3.85Å; L304-F656 HydrophobicContact CD2-CE1 3.97Å; L304-F656 HydrophobicContact CD2-CG 4.47Å; L304-F656 HydrophobicContact CG-CD1 4.39Å; L304-F656 HydrophobicContact CG-CE1 4.19Å; L304-F656 HydrophobicContact CG-CZ 4.48Å; Y357-F656 HydrophobicContact CE1-CD2 4.21Å; Y357-F656 PolarHBondContact OH-N 3.2Å; P416-F656 HydrophobicContact CG-CD1 4.32Å; P416-F656 HydrophobicContact CG-CE1 3.59Å; P416-F656 HydrophobicContact CG-CZ 4.38Å; L426-F656 HydrophobicContact CB-CD2 4.31Å; L426-F656 HydrophobicContact CB-CE2 4.13Å; L426-F656 HydrophobicContact CD2-CB 3.6Å; L426-F656 HydrophobicContact CD2-CD1 4.31Å; L426-F656 HydrophobicContact CD2-CD2 3.5Å; L426-F656 HydrophobicContact CD2-CE2 4.17Å; L426-F656 HydrophobicContact CD2-CG 3.56Å; L426-F656 HydrophobicContact CG-CD2 4.5Å; L426-F656 WeakPolarHBondContact O-CE2 3.39Å; L426-F656 WeakPolarHBondContact O-CZ 3.2Å; F656-F658 VanDerWaalsContact C-N 3.31Å
657T98.1Very high95.2Very high136 Ų13642.2 Ų42.283%0.83422%0.22SC*.SBendtrans-74.9-26.1170.552.80000112.2
658F98.6Very high96.2Very high70 Ų7044.2 Ų44.231%0.30723%0.23SC..SBendtrans-69.9126.5173.5-176.7-85.8000110.2P425 L426 F656 H662 M663P425-F658 HydrophobicContact CB-CD1 3.73Å; P425-F658 HydrophobicContact CB-CD2 3.96Å; P425-F658 HydrophobicContact CB-CE1 3.81Å; P425-F658 HydrophobicContact CB-CE2 4.02Å; P425-F658 HydrophobicContact CB-CG 3.81Å; P425-F658 HydrophobicContact CB-CZ 3.94Å; P425-F658 HydrophobicContact CG-CD1 3.72Å; P425-F658 HydrophobicContact CG-CE1 3.34Å; P425-F658 HydrophobicContact CG-CE2 4.19Å; P425-F658 HydrophobicContact CG-CG 4.3Å; P425-F658 HydrophobicContact CG-CZ 3.6Å; L426-F658 HydrophobicContact CD2-CB 4.41Å; L426-F658 HydrophobicContact CD2-CD1 4.02Å; L426-F658 HydrophobicContact CG-CD1 4.3Å; F656-F658 VanDerWaalsContact C-N 3.31Å; F658-H662 HydrophobicContact CE1-CB 4.24Å; F658-H662 HydrophobicContact CE2-CB 4.25Å; F658-H662 HydrophobicContact CZ-CB 3.76Å; F658-M663 HydrophobicContact CE1-CB 4.03Å; F658-M663 HydrophobicContact CZ-CB 4.4Å
659K98.8Very high97.2Very high65 Ų6546.8 Ų46.828%0.28324%0.243SC..  trans-80.4127179.3-54.5-53.3-175.2-172.90110.9E359 W661 H662E359-K659 IonicContact OE1-NZ 3.21Å; E359-K659 PolarHBondContact OE1-NZ 2.88Å; E359-K659 WeakPolarHBondContact OE2-CD 3.44Å; E359-K659 IonicContact OE2-NZ 2.77Å; K659-W661 HydrophobicContact CB-CD2 3.81Å; K659-W661 HydrophobicContact CB-CE3 4.08Å; K659-W661 HydrophobicContact CB-CG 4.49Å; K659-W661 HydrophobicContact CB-CH2 3.88Å; K659-W661 HydrophobicContact CB-CZ2 3.57Å; K659-W661 HydrophobicContact CB-CZ3 4.11Å; K659-W661 HydrophobicContact CD-CH2 3.73Å; K659-W661 HydrophobicContact CD-CZ2 3.93Å; K659-W661 HydrophobicContact CD-CZ3 4.36Å; K659-W661 HydrophobicContact CG-CH2 3.91Å; K659-W661 HydrophobicContact CG-CZ2 3.59Å; K659-W661 PolarHBondContact O-N 3.07Å; K659-W661 VanDerWaalsContact O-N 3.15Å; K659-H662 WeakPolarHBondContact O-CB 3Å; K659-H662 PolarHBondContact O-N 2.78Å
660W98.8Very high97.7Very high0 Ų049.7 Ų49.70%026%0.258CS..G310 helixtrans-58.6-33.3-172.567.2-97000113.5W140 W142 I150 R293 A295 P296 I298 E359 L426 V456 H662 M663W140-W660 HydrophobicContact CH2-CH2 4.46Å; W140-W660 HydrophobicContact CH2-CZ3 4.03Å; W140-W660 HydrophobicContact CZ2-CH2 4.01Å; W140-W660 HydrophobicContact CZ2-CZ3 4.05Å; W142-W660 AromaticContact CH2-CE3 3.83Å; W142-W660 HydrophobicContact CH2-CE3 3.83Å; W142-W660 AromaticContact CH2-CZ3 3.62Å; W142-W660 HydrophobicContact CH2-CZ3 3.62Å; W142-W660 AromaticContact CZ3-CE3 3.58Å; W142-W660 HydrophobicContact CZ3-CE3 3.58Å; W142-W660 AromaticContact CZ3-CZ3 3.65Å; W142-W660 HydrophobicContact CZ3-CZ3 3.65Å; I150-W660 HydrophobicContact CD1-CH2 4.31Å; I150-W660 HydrophobicContact CD1-CZ2 3.92Å; I150-W660 HydrophobicContact CG1-CH2 4.3Å; I150-W660 HydrophobicContact CG1-CZ2 4.13Å; I150-W660 HydrophobicContact CG2-CH2 4.46Å; I150-W660 HydrophobicContact CG2-CZ2 3.71Å; R293-W660 HydrophobicContact CG-CH2 3.97Å; R293-W660 HydrophobicContact CG-CZ3 4.43Å; A295-W660 HydrophobicContact CB-CZ2 3.81Å; P296-W660 VanDerWaalsContact CD-CE2 3.48Å; P296-W660 HydrophobicContact CG-CD2 3.86Å; P296-W660 HydrophobicContact CG-CE3 3.85Å; P296-W660 HydrophobicContact CG-CG 4.24Å; P296-W660 HydrophobicContact CG-CZ3 4.35Å; I298-W660 HydrophobicContact CD1-CB 3.61Å; I298-W660 HydrophobicContact CD1-CG 3.87Å; E359-W660 PolarHBondContact O-NE1 3.05Å; L426-W660 HydrophobicContact CD1-CB 3.75Å; V456-W660 HydrophobicContact CG1-CB 4.41Å; V456-W660 HydrophobicContact CG1-CE3 4.24Å; W660-H662 PolarHBondContact O-N 3.16Å; W660-M663 VanDerWaalsContact O-CB 3.28Å; W660-M663 WeakPolarHBondContact O-CB 3.21Å; W660-M663 PolarHBondContact O-N 3.03Å; W660-M663 VanDerWaalsContact O-N 3.1Å
661W98.7Very high97.8Very high10 Ų1052.7 Ų52.74%0.03827%0.273CS..G310 helixtrans-70.5-14.7178.859.585.4000114R126 W140 G143 I150 E359 P361 K659 M663R126-W661 VanDerWaalsContact CD-CD1 3.49Å; W140-W661 HydrophobicContact CH2-CB 4.4Å; W140-W661 HydrophobicContact CZ2-CB 4.23Å; G143-W661 PolarHBondContact N-O 2.93Å; G143-W661 VanDerWaalsContact N-O 3.08Å; I150-W661 HydrophobicContact CD1-CB 3.73Å; I150-W661 HydrophobicContact CD1-CD2 3.46Å; I150-W661 VanDerWaalsContact CD1-CD2 3.46Å; I150-W661 HydrophobicContact CD1-CE3 3.51Å; I150-W661 HydrophobicContact CD1-CG 3.59Å; I150-W661 HydrophobicContact CD1-CZ3 4.24Å; E359-W661 HydrophobicContact CB-CZ3 4.48Å; E359-W661 HydrophobicContact CG-CH2 4.33Å; E359-W661 HydrophobicContact CG-CZ3 4.15Å; P361-W661 HydrophobicContact CG-CH2 4.34Å; P361-W661 HydrophobicContact CG-CZ2 4.17Å; K659-W661 HydrophobicContact CB-CD2 3.81Å; K659-W661 HydrophobicContact CB-CE3 4.08Å; K659-W661 HydrophobicContact CB-CG 4.49Å; K659-W661 HydrophobicContact CB-CH2 3.88Å; K659-W661 HydrophobicContact CB-CZ2 3.57Å; K659-W661 HydrophobicContact CB-CZ3 4.11Å; K659-W661 HydrophobicContact CD-CH2 3.73Å; K659-W661 HydrophobicContact CD-CZ2 3.93Å; K659-W661 HydrophobicContact CD-CZ3 4.36Å; K659-W661 HydrophobicContact CG-CH2 3.91Å; K659-W661 HydrophobicContact CG-CZ2 3.59Å; K659-W661 PolarHBondContact O-N 3.07Å; K659-W661 VanDerWaalsContact O-N 3.15Å; W661-M663 VanDerWaalsContact C-N 3.31Å
662H98.7Very high97.8Very high72 Ų7255.4 Ų55.433%0.33329%0.287SS..G310 helixtrans-82-8171.8-63.8163.2000113.3G143 F658 K659 W660G143-H662 WeakPolarHBondContact CA-O 3.1Å; F658-H662 HydrophobicContact CE1-CB 4.24Å; F658-H662 HydrophobicContact CE2-CB 4.25Å; F658-H662 HydrophobicContact CZ-CB 3.76Å; K659-H662 WeakPolarHBondContact O-CB 3Å; K659-H662 PolarHBondContact O-N 2.78Å; W660-H662 PolarHBondContact O-N 3.16Å
663M97Very high97.8Very high5 Ų555.4 Ų55.43%0.02529%0.293CS..  trans-71.5158.2172.5-169.3169.9-179.700110.6W142 G143 Y424 P425 V456 F658 W660 W661W142-M663 WeakPolarHBondContact CB-O 3.49Å; G143-M663 PolarHBondContact N-O 3.07Å; G143-M663 VanDerWaalsContact N-O 3.09Å; Y424-M663 HydrophobicContact CD1-CE 3.93Å; P425-M663 HydrophobicContact CG-CB 4.34Å; P425-M663 HydrophobicContact CG-CG 4.06Å; P425-M663 HydrophobicContact CG-SD 4.03Å; V456-M663 HydrophobicContact CB-SD 4.29Å; V456-M663 VanDerWaalsContact O-SD 3.38Å; F658-M663 HydrophobicContact CE1-CB 4.03Å; F658-M663 HydrophobicContact CZ-CB 4.4Å; W660-M663 VanDerWaalsContact O-CB 3.28Å; W660-M663 WeakPolarHBondContact O-CB 3.21Å; W660-M663 PolarHBondContact O-N 3.03Å; W660-M663 VanDerWaalsContact O-N 3.1Å; W661-M663 VanDerWaalsContact C-N 3.31Å
664V97.4Very high97.7Very high101 Ų10158.8 Ų58.861%0.61231%0.313SS*.  trans-117.594.8162.9-175.60000107
665P90.9Very high97.7Very high52 Ų5253.2 Ų53.234%0.33829%0.293SS..  trans-57.70-168.4-28.936.7000117W142 K422 Q455W142-P665 HydrophobicContact CD2-CG 3.64Å; W142-P665 HydrophobicContact CE3-CG 3.64Å; W142-P665 HydrophobicContact CG-CG 4.36Å; W142-P665 HydrophobicContact CH2-CG 3.74Å; W142-P665 HydrophobicContact CZ2-CG 3.75Å; W142-P665 HydrophobicContact CZ3-CG 3.66Å; K422-P665 WeakPolarHBondContact CE-OXT 3.44Å; K422-P665 PolarHBondContact NZ-O 3.08Å; K422-P665 PolarHBondContact NZ-OXT 3.1Å; Q455-P665 HydrophobicContact CB-CB 4.21Å

Retrieved 665 of 665 residues in 4177.7 ms (Link to these results)

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