A0A077ZCH0_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZCH0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 260 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
1M43.3Very low64.7Low170 Ų17088.9 Ų88.984%0.83743%0.428SS*.  0150.20-104.5-172.9149.800108.5F77M1-F77 HydrophobicContact CE-CD2 4.14Å; M1-F77 HydrophobicContact SD-CD2 4.35Å
2P51.3Low66.3Low95 Ų9582.8 Ų82.862%0.61740%0.402SS*.PPolyproline II helixtrans-57.7155.1173.5-16.328.7000110.8F78P2-F78 HydrophobicContact CB-CE2 4.01Å; P2-F78 HydrophobicContact CB-CZ 3.87Å; P2-F78 HydrophobicContact CG-CE2 3.94Å; P2-F78 HydrophobicContact CG-CZ 4.18Å; P2-F78 WeakPolarHBondContact O-CZ 3.35Å
3R63Low68.1Low199 Ų19981.4 Ų81.475%0.75140%0.402SS*.PPolyproline II helixtrans-76.1149.4168.4-68.1-176.3-178.7-178.8-0.6109.1N5R3-N5 PolarHBondContact O-N 3.23Å
4M65.8Low69.7Low13 Ų1378.9 Ų78.96%0.06441%0.408CS..PPolyproline II helixtrans-58.4125.4177-174.6-176.577.300109V6 I9 F78 D81 L85 V97 Y110 F124M4-V6 HydrophobicContact CE-CG2 3.77Å; M4-I9 HydrophobicContact CE-CD1 4.46Å; M4-I9 HydrophobicContact CG-CD1 3.8Å; M4-I9 HydrophobicContact SD-CD1 3.68Å; M4-F78 HydrophobicContact CB-CD1 4.27Å; M4-F78 HydrophobicContact CB-CE1 4.29Å; M4-F78 HydrophobicContact CG-CD1 4.41Å; M4-D81 HydrophobicContact CG-CB 4.49Å; M4-D81 HydrophobicContact SD-CB 3.81Å; M4-L85 HydrophobicContact CE-CD1 4.15Å; M4-L85 HydrophobicContact SD-CD1 4.28Å; M4-V97 HydrophobicContact CE-CG1 4.41Å; M4-Y110 VanDerWaalsContact CB-OH 3.26Å; M4-Y110 WeakPolarHBondContact CB-OH 3.18Å; M4-Y110 HydrophobicContact CE-CD1 4.2Å; M4-Y110 HydrophobicContact CE-CD2 4.47Å; M4-Y110 HydrophobicContact CE-CE1 3.83Å; M4-Y110 HydrophobicContact CE-CE2 4.11Å; M4-F124 HydrophobicContact CE-CE2 3.94Å; M4-F124 HydrophobicContact CE-CZ 3.72Å; M4-F124 HydrophobicContact SD-CE1 3.82Å; M4-F124 HydrophobicContact SD-CE2 4.12Å; M4-F124 HydrophobicContact SD-CZ 3.55Å; M4-F124 VanDerWaalsContact SD-CZ 3.55Å
5N69.2Low71.1Confident79 Ų7978.3 Ų78.342%0.42240%0.402SS..  trans-95.699.4173.4-172-17.9000108.8R3 S7 I8R3-N5 PolarHBondContact O-N 3.23Å; N5-S7 VanDerWaalsContact CG-OG 3.31Å; N5-S7 PolarHBondContact ND2-OG 3.23Å; N5-S7 PolarHBondContact O-N 3Å; N5-S7 VanDerWaalsContact O-N 3.16Å; N5-S7 WeakPolarHBondContact OD1-CB 3.41Å; N5-S7 PolarHBondContact OD1-N 2.88Å; N5-S7 PolarHBondContact OD1-OG 2.84Å; N5-I8 HydrophobicContact CB-CB 4.37Å; N5-I8 HydrophobicContact CB-CD1 3.76Å; N5-I8 HydrophobicContact CB-CG1 3.87Å; N5-I8 WeakPolarHBondContact O-CB 3.44Å; N5-I8 PolarHBondContact O-N 3.38Å
6V69.1Low72.5Confident29 Ų2973.8 Ų73.818%0.17638%0.38CS..Hα-helixtrans-54.7-33.1179.5-174.10000111.2M4 I8 I9 R10 V97M4-V6 HydrophobicContact CE-CG2 3.77Å; V6-I8 VanDerWaalsContact C-N 3.33Å; V6-I8 PolarHBondContact O-N 3.05Å; V6-I9 WeakPolarHBondContact O-CB 3.37Å; V6-I9 PolarHBondContact O-N 3.24Å; V6-R10 PolarHBondContact O-N 2.9Å; V6-R10 VanDerWaalsContact O-N 3.13Å; V6-V97 HydrophobicContact CG1-CB 4Å; V6-V97 HydrophobicContact CG1-CG1 4.34Å; V6-V97 HydrophobicContact CG2-CG1 3.96Å
7S67.3Low73.8Confident52 Ų5270.5 Ų70.536%0.36436%0.362SS..Hα-helixtrans-64.6-36.1178.6740000112.7N5 I9 R10 Q11N5-S7 VanDerWaalsContact CG-OG 3.31Å; N5-S7 PolarHBondContact ND2-OG 3.23Å; N5-S7 PolarHBondContact O-N 3Å; N5-S7 VanDerWaalsContact O-N 3.16Å; N5-S7 WeakPolarHBondContact OD1-CB 3.41Å; N5-S7 PolarHBondContact OD1-N 2.88Å; N5-S7 PolarHBondContact OD1-OG 2.84Å; S7-I9 PolarHBondContact O-N 2.95Å; S7-R10 PolarHBondContact O-N 2.9Å; S7-Q11 VanDerWaalsContact O-CG 3.24Å; S7-Q11 WeakPolarHBondContact O-CG 3.3Å; S7-Q11 PolarHBondContact O-N 3.43Å
8I62.7Low74.9Confident42 Ų4272.7 Ų72.722%0.21537%0.366CS..Hα-helixtrans-65.8-32.3177.6-63.2-180000110.5N5 V6 Q11 R59 L61N5-I8 HydrophobicContact CB-CB 4.37Å; N5-I8 HydrophobicContact CB-CD1 3.76Å; N5-I8 HydrophobicContact CB-CG1 3.87Å; N5-I8 WeakPolarHBondContact O-CB 3.44Å; N5-I8 PolarHBondContact O-N 3.38Å; V6-I8 VanDerWaalsContact C-N 3.33Å; V6-I8 PolarHBondContact O-N 3.05Å; I8-Q11 PolarHBondContact O-N 3.23Å; I8-R59 HydrophobicContact CG2-CB 4.2Å; I8-R59 PolarHBondContact O-NH2 3.05Å; I8-L61 HydrophobicContact CG2-CD1 4.31Å; I8-L61 HydrophobicContact CG2-CD2 4.12Å; I8-L61 HydrophobicContact CG2-CG 4.34Å
9I68.4Low76Confident14 Ų1469 Ų697%0.07235%0.347CS..Hα-helixtrans-70.6-44.8177.6-62178.9000110.2M4 V6 S7 Q11 A12 D81 C82 L85M4-I9 HydrophobicContact CE-CD1 4.46Å; M4-I9 HydrophobicContact CG-CD1 3.8Å; M4-I9 HydrophobicContact SD-CD1 3.68Å; V6-I9 WeakPolarHBondContact O-CB 3.37Å; V6-I9 PolarHBondContact O-N 3.24Å; S7-I9 PolarHBondContact O-N 2.95Å; I9-Q11 PolarHBondContact O-N 2.79Å; I9-A12 WeakPolarHBondContact O-CB 3.05Å; I9-A12 PolarHBondContact O-N 2.85Å; I9-A12 VanDerWaalsContact O-N 3.15Å; I9-D81 HydrophobicContact CD1-CB 3.98Å; I9-C82 HydrophobicContact CG1-CB 4.03Å; I9-C82 HydrophobicContact CG2-CB 4.21Å; I9-L85 HydrophobicContact CD1-CD1 3.62Å; I9-L85 HydrophobicContact CG2-CB 4.19Å; I9-L85 HydrophobicContact CG2-CD1 4.13Å
10R72.4Confident77.1Confident161 Ų16165.6 Ų65.661%0.60833%0.33SS*.Hα-helixtrans-63.3-27.2175.7-71.3-176.4172.1179.5-3.4113.5V6 S7 A12V6-R10 PolarHBondContact O-N 2.9Å; V6-R10 VanDerWaalsContact O-N 3.13Å; S7-R10 PolarHBondContact O-N 2.9Å; R10-A12 VanDerWaalsContact C-N 3.33Å
11Q78.8Confident78Confident124 Ų12466.5 Ų66.558%0.57933%0.333SS*.THydrogen-bonded Turntrans-83.3-4.4178.2-70.5169.4-0.500113.8S7 I8 I9 T13S7-Q11 VanDerWaalsContact O-CG 3.24Å; S7-Q11 WeakPolarHBondContact O-CG 3.3Å; S7-Q11 PolarHBondContact O-N 3.43Å; I8-Q11 PolarHBondContact O-N 3.23Å; I9-Q11 PolarHBondContact O-N 2.79Å; Q11-T13 PolarHBondContact O-N 3.33Å
12A84.9Confident80.5Confident15 Ų1558.5 Ų58.512%0.12429%0.294CS..  trans-69.8121.617800000110.8I9 R10 D16 L17 C82I9-A12 WeakPolarHBondContact O-CB 3.05Å; I9-A12 PolarHBondContact O-N 2.85Å; I9-A12 VanDerWaalsContact O-N 3.15Å; R10-A12 VanDerWaalsContact C-N 3.33Å; A12-D16 HydrophobicContact CB-CB 4.3Å; A12-L17 HydrophobicContact CB-CD2 4.32Å; A12-L17 HydrophobicContact CB-CG 4.33Å; A12-C82 VanDerWaalsContact CB-SG 3.56Å
13T89.3Confident82.7Confident65 Ų6554 Ų5440%0.39927%0.265SS..  trans-75164177.466.50000111.6Q11 E15 D16 L17Q11-T13 PolarHBondContact O-N 3.33Å; T13-E15 PolarHBondContact O-N 3.18Å; T13-E15 VanDerWaalsContact O-N 3.16Å; T13-D16 PolarHBondContact N-OD2 3.31Å; T13-D16 WeakPolarHBondContact O-CB 3.31Å; T13-D16 PolarHBondContact O-N 3.08Å; T13-D16 PolarHBondContact OG1-N 2.95Å; T13-D16 PolarHBondContact OG1-OD1 3.36Å; T13-D16 PolarHBondContact OG1-OD2 3.04Å; T13-L17 WeakPolarHBondContact O-CG 3.31Å; T13-L17 PolarHBondContact O-N 2.91Å
14G90.1Very high84.3Confident47 Ų4746 Ų4649%0.48524%0.236SC..Hα-helixtrans-60.1-2417400000114.2R18G14-R18 WeakPolarHBondContact O-CG 3.39Å; G14-R18 PolarHBondContact O-N 3.13Å; G14-R18 PolarHBondContact O-NE 2.95Å
15E90.9Very high85.7Confident69 Ų6949.1 Ų49.132%0.32225%0.253SS..Hα-helixtrans-78.8-39.4171.2-70.8-169.5170.700112T13 L17 R18 L19 R52T13-E15 PolarHBondContact O-N 3.18Å; T13-E15 VanDerWaalsContact O-N 3.16Å; E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 3.42Å; E15-R18 PolarHBondContact O-N 3.38Å; E15-L19 WeakPolarHBondContact O-CG 3.3Å; E15-L19 PolarHBondContact O-N 2.87Å; E15-R52 IonicContact OE2-CZ 3.22Å; E15-R52 IonicContact OE2-NE 2.9Å; E15-R52 PolarHBondContact OE2-NE 3.48Å; E15-R52 IonicContact OE2-NH1 3.73Å; E15-R52 IonicContact OE2-NH2 2.76Å; E15-R52 PolarHBondContact OE2-NH2 3.49Å
16D93.6Very high86.9Confident7 Ų745.6 Ų45.64%0.03723%0.234CC..Hα-helixtrans-57.4-47.3173.9-66.2-18.5000110.6A12 T13 R18 L19 L20 L56 R59A12-D16 HydrophobicContact CB-CB 4.3Å; T13-D16 PolarHBondContact N-OD2 3.31Å; T13-D16 WeakPolarHBondContact O-CB 3.31Å; T13-D16 PolarHBondContact O-N 3.08Å; T13-D16 PolarHBondContact OG1-N 2.95Å; T13-D16 PolarHBondContact OG1-OD1 3.36Å; T13-D16 PolarHBondContact OG1-OD2 3.04Å; D16-R18 VanDerWaalsContact C-N 3.33Å; D16-R18 PolarHBondContact O-N 3Å; D16-L19 PolarHBondContact O-N 3.4Å; D16-L20 VanDerWaalsContact O-CG 3.31Å; D16-L20 WeakPolarHBondContact O-CG 3.45Å; D16-L20 PolarHBondContact O-N 2.94Å; D16-L56 HydrophobicContact CB-CD2 3.87Å; D16-R59 IonicContact OD2-CZ 3.95Å; D16-R59 IonicContact OD2-NH1 2.93Å; D16-R59 PolarHBondContact OD2-NH1 3.35Å
17L94Very high88Confident17 Ų1745.4 Ų45.49%0.08923%0.232CC..Hα-helixtrans-60.8-41.2177.7-68.8167.3000111.8A12 T13 E15 L19 L20 Q21 L83 N86A12-L17 HydrophobicContact CB-CD2 4.32Å; A12-L17 HydrophobicContact CB-CG 4.33Å; T13-L17 WeakPolarHBondContact O-CG 3.31Å; T13-L17 PolarHBondContact O-N 2.91Å; E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 3.42Å; L17-L19 PolarHBondContact O-N 3.14Å; L17-L20 PolarHBondContact O-N 2.83Å; L17-Q21 WeakPolarHBondContact O-CB 3.36Å; L17-Q21 VanDerWaalsContact O-CG 3.27Å; L17-Q21 WeakPolarHBondContact O-CG 3.25Å; L17-Q21 PolarHBondContact O-N 2.95Å; L17-L83 HydrophobicContact CD2-CD2 4.28Å; L17-N86 HydrophobicContact CD1-CB 4.38Å; L17-N86 VanDerWaalsContact CD1-CG 3.5Å; L17-N86 WeakPolarHBondContact CD1-OD1 3.5Å; L17-N86 HydrophobicContact CD2-CB 3.91Å
18R94.5Very high89Confident111 Ų11148.9 Ų48.942%0.41924%0.24SC..Hα-helixtrans-62.1-41.4174.6-85.5-176.3-88164-9.1112.4G14 E15 D16 Q21 A22G14-R18 WeakPolarHBondContact O-CG 3.39Å; G14-R18 PolarHBondContact O-N 3.13Å; G14-R18 PolarHBondContact O-NE 2.95Å; E15-R18 PolarHBondContact O-N 3.38Å; D16-R18 VanDerWaalsContact C-N 3.33Å; D16-R18 PolarHBondContact O-N 3Å; R18-Q21 PolarHBondContact O-N 3.44Å; R18-A22 WeakPolarHBondContact O-CB 3.34Å; R18-A22 PolarHBondContact O-N 3.43Å
19L96.1Very high90.1Very high2 Ų253 Ų531%0.0126%0.263CS..Hα-helixtrans-66.8-42.9176.2-68175.6000111.9E15 D16 L17 A22 V23 I38 A42 V44 I49 R52 L56E15-L19 WeakPolarHBondContact O-CG 3.3Å; E15-L19 PolarHBondContact O-N 2.87Å; D16-L19 PolarHBondContact O-N 3.4Å; L17-L19 PolarHBondContact O-N 3.14Å; L19-A22 WeakPolarHBondContact O-CB 3.36Å; L19-A22 PolarHBondContact O-N 3.44Å; L19-V23 WeakPolarHBondContact O-CG2 3.39Å; L19-V23 PolarHBondContact O-N 2.91Å; L19-I38 HydrophobicContact CD2-CG2 4Å; L19-A42 HydrophobicContact CD2-CB 3.86Å; L19-V44 HydrophobicContact CD2-CG2 4Å; L19-I49 HydrophobicContact CD1-CG1 4.34Å; L19-I49 HydrophobicContact CD2-CD1 3.57Å; L19-I49 HydrophobicContact CD2-CG1 3.58Å; L19-R52 HydrophobicContact CD1-CB 3.61Å; L19-R52 HydrophobicContact CD1-CG 4.49Å; L19-L56 HydrophobicContact CB-CD1 3.86Å; L19-L56 HydrophobicContact CD1-CD1 4.14Å
20L96.5Very high91.1Very high0 Ų056.7 Ų56.70%028%0.28CS..Hα-helixtrans-61.3-44175-68.1175.1000111.3D16 L17 A22 V23 E24 L56 L61 L62 L75 C82 L83D16-L20 VanDerWaalsContact O-CG 3.31Å; D16-L20 WeakPolarHBondContact O-CG 3.45Å; D16-L20 PolarHBondContact O-N 2.94Å; L17-L20 PolarHBondContact O-N 2.83Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.33Å; L20-V23 PolarHBondContact O-N 3.23Å; L20-E24 PolarHBondContact O-N 3.21Å; L20-L56 HydrophobicContact CD2-CD1 4.24Å; L20-L56 HydrophobicContact CD2-CD2 4.49Å; L20-L56 HydrophobicContact CG-CD1 4.39Å; L20-L61 HydrophobicContact CD1-CD1 4.3Å; L20-L61 HydrophobicContact CD2-CB 3.94Å; L20-L62 HydrophobicContact CD2-CD1 4.46Å; L20-L62 HydrophobicContact CD2-CD2 3.72Å; L20-L62 HydrophobicContact CD2-CG 3.8Å; L20-L75 HydrophobicContact CB-CD2 4.42Å; L20-L75 HydrophobicContact CD2-CD2 3.93Å; L20-C82 HydrophobicContact CD1-CB 4.3Å; L20-L83 HydrophobicContact CB-CD1 4.01Å; L20-L83 HydrophobicContact CB-CD2 3.7Å; L20-L83 HydrophobicContact CB-CG 3.9Å
21Q96.7Very high91.8Very high85 Ų8553.2 Ų53.240%0.39727%0.27SS..Hα-helixtrans-62.6-39.5175.2-74.9175.9-1100112.2L17 R18 E24 L25 L83L17-Q21 WeakPolarHBondContact O-CB 3.36Å; L17-Q21 VanDerWaalsContact O-CG 3.27Å; L17-Q21 WeakPolarHBondContact O-CG 3.25Å; L17-Q21 PolarHBondContact O-N 2.95Å; R18-Q21 PolarHBondContact O-N 3.44Å; Q21-E24 WeakPolarHBondContact O-CB 3.39Å; Q21-E24 PolarHBondContact O-N 2.9Å; Q21-L25 WeakPolarHBondContact O-CB 3.48Å; Q21-L25 PolarHBondContact O-N 3.47Å; Q21-L83 HydrophobicContact CG-CD2 3.55Å
22A96.8Very high92.4Very high3 Ų348.5 Ų48.53%0.02525%0.249CC..Hα-helixtrans-63.3-41.9176.100000112R18 L19 L20 L25 G26 I38 L41 A42R18-A22 WeakPolarHBondContact O-CB 3.34Å; R18-A22 PolarHBondContact O-N 3.43Å; L19-A22 WeakPolarHBondContact O-CB 3.36Å; L19-A22 PolarHBondContact O-N 3.44Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.33Å; A22-L25 PolarHBondContact O-N 3.27Å; A22-G26 PolarHBondContact O-N 3.18Å; A22-I38 HydrophobicContact CB-CG2 4.15Å; A22-L41 HydrophobicContact CB-CB 3.77Å; A22-L41 WeakPolarHBondContact O-CD1 3.34Å; A22-A42 HydrophobicContact CB-CB 3.63Å
23V96.6Very high92.8Very high0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-64.1-43.4172.6177.60000110.7L19 L20 L25 G26 M27 V33 I38 L62 L75L19-V23 WeakPolarHBondContact O-CG2 3.39Å; L19-V23 PolarHBondContact O-N 2.91Å; L20-V23 PolarHBondContact O-N 3.23Å; V23-L25 VanDerWaalsContact C-N 3.3Å; V23-L25 PolarHBondContact O-N 2.88Å; V23-G26 PolarHBondContact O-N 3.07Å; V23-M27 HydrophobicContact CG1-CG 4.23Å; V23-M27 HydrophobicContact CG1-SD 4Å; V23-M27 WeakPolarHBondContact O-CB 3.46Å; V23-M27 VanDerWaalsContact O-CG 3.25Å; V23-M27 WeakPolarHBondContact O-CG 3.44Å; V23-M27 PolarHBondContact O-N 3.42Å; V23-V33 HydrophobicContact CG1-CG2 4.18Å; V23-I38 HydrophobicContact CG2-CD1 3.68Å; V23-I38 HydrophobicContact CG2-CG1 3.89Å; V23-I38 HydrophobicContact CG2-CG2 4.35Å; V23-L62 HydrophobicContact CB-CD2 4.07Å; V23-L62 HydrophobicContact CG1-CD2 3.91Å; V23-L62 HydrophobicContact CG2-CD1 4.16Å; V23-L62 HydrophobicContact CG2-CD2 3.94Å; V23-L75 HydrophobicContact CB-CD1 4.42Å; V23-L75 HydrophobicContact CB-CG 4.41Å; V23-L75 HydrophobicContact CG1-CD1 4.23Å; V23-L75 HydrophobicContact CG1-CG 4.03Å
24E96.2Very high93Very high30 Ų3045.9 Ų45.914%0.1424%0.237CC..Hα-helixtrans-56.5-45.6175.7-171.9-175.5-168.600111.7L20 Q21 M27 L75 Y80 L83 R155 R183L20-E24 PolarHBondContact O-N 3.21Å; Q21-E24 WeakPolarHBondContact O-CB 3.39Å; Q21-E24 PolarHBondContact O-N 2.9Å; E24-M27 PolarHBondContact O-N 3.45Å; E24-L75 HydrophobicContact CB-CD1 3.48Å; E24-L75 VanDerWaalsContact CB-CD1 3.48Å; E24-L75 HydrophobicContact CG-CD1 4.16Å; E24-Y80 HydrophobicContact CG-CE2 4.13Å; E24-Y80 VanDerWaalsContact OE1-CE2 3.28Å; E24-Y80 WeakPolarHBondContact OE1-CE2 3.39Å; E24-Y80 PolarHBondContact OE1-OH 3.47Å; E24-L83 HydrophobicContact CB-CD1 4.18Å; E24-R155 IonicContact OE1-NH1 2.6Å; E24-R183 VanDerWaalsContact CD-NE 3.32Å; E24-R183 IonicContact OE1-CZ 2.73Å; E24-R183 IonicContact OE1-NE 3.73Å; E24-R183 PolarHBondContact OE1-NE 2.81Å; E24-R183 IonicContact OE1-NH2 3.34Å; E24-R183 IonicContact OE2-CZ 3.37Å; E24-R183 VanDerWaalsContact OE2-CZ 3.29Å; E24-R183 IonicContact OE2-NE 2.65Å; E24-R183 PolarHBondContact OE2-NE 3.35Å; E24-R183 IonicContact OE2-NH2 3.47Å; E24-R183 PolarHBondContact OE2-NH2 3.34Å
25L94.6Very high93.2Very high80 Ų8046 Ų4642%0.41922%0.224SC..Hα-helixtrans-66.6-43.2-179.5-177.558.7000111.5Q21 A22 V23 M27 K28 L41Q21-L25 WeakPolarHBondContact O-CB 3.48Å; Q21-L25 PolarHBondContact O-N 3.47Å; A22-L25 PolarHBondContact O-N 3.27Å; V23-L25 VanDerWaalsContact C-N 3.3Å; V23-L25 PolarHBondContact O-N 2.88Å; L25-M27 VanDerWaalsContact C-N 3.27Å; L25-M27 PolarHBondContact O-N 3.32Å; L25-K28 HydrophobicContact CD1-CD 3.96Å; L25-K28 WeakPolarHBondContact O-CB 3.4Å; L25-K28 WeakPolarHBondContact O-CG 3.44Å; L25-K28 PolarHBondContact O-N 3.01Å; L25-L41 HydrophobicContact CB-CD1 4.21Å; L25-L41 HydrophobicContact CD2-CD1 4.38Å; L25-L41 HydrophobicContact CD2-CD2 3.79Å; L25-L41 HydrophobicContact CD2-CG 4.47Å; L25-L41 HydrophobicContact CG-CD1 4.19Å; L25-L41 HydrophobicContact CG-CD2 4.3Å
26G94.5Very high93.2Very high4 Ų447.5 Ų47.54%0.04124%0.24CC..Hα-helixtrans-61.4-35.917400000112.5A22 V23 K28 N29 H30A22-G26 PolarHBondContact O-N 3.18Å; V23-G26 PolarHBondContact O-N 3.07Å; G26-K28 PolarHBondContact O-N 3.31Å; G26-K28 VanDerWaalsContact O-N 3.1Å; G26-N29 PolarHBondContact O-N 3.25Å; G26-H30 PolarHBondContact O-CD2 3.04Å; G26-H30 PolarHBondContact O-N 3.1Å
27M92.6Very high93.2Very high25 Ų2549.9 Ų49.912%0.12325%0.253CS..THydrogen-bonded Turntrans-66.4-11.4179.8-77.5-179.672.400114.7V23 E24 L25 N29 H30 V33 R74 L75 L151V23-M27 HydrophobicContact CG1-CG 4.23Å; V23-M27 HydrophobicContact CG1-SD 4Å; V23-M27 WeakPolarHBondContact O-CB 3.46Å; V23-M27 VanDerWaalsContact O-CG 3.25Å; V23-M27 WeakPolarHBondContact O-CG 3.44Å; V23-M27 PolarHBondContact O-N 3.42Å; E24-M27 PolarHBondContact O-N 3.45Å; L25-M27 VanDerWaalsContact C-N 3.27Å; L25-M27 PolarHBondContact O-N 3.32Å; M27-N29 VanDerWaalsContact C-N 3.26Å; M27-N29 PolarHBondContact O-N 2.85Å; M27-H30 VanDerWaalsContact CA-O 3.24Å; M27-H30 WeakPolarHBondContact CA-O 3.27Å; M27-V33 HydrophobicContact CG-CG2 3.76Å; M27-R74 HydrophobicContact CE-CB 4.17Å; M27-R74 HydrophobicContact SD-CB 4.1Å; M27-L75 HydrophobicContact SD-CB 3.75Å; M27-L75 HydrophobicContact SD-CD1 4.07Å; M27-L75 HydrophobicContact SD-CG 4.28Å; M27-L75 PolarHBondContact SD-N 2.91Å; M27-L151 HydrophobicContact CE-CD1 4.26Å
28K88.7Confident93.3Very high125 Ų12549 Ų4954%0.54325%0.249SC..THydrogen-bonded Turntrans-63.2-35.2173.3-67.6-173.8-175.9174.30112.4L25 G26L25-K28 HydrophobicContact CD1-CD 3.96Å; L25-K28 WeakPolarHBondContact O-CB 3.4Å; L25-K28 WeakPolarHBondContact O-CG 3.44Å; L25-K28 PolarHBondContact O-N 3.01Å; G26-K28 PolarHBondContact O-N 3.31Å; G26-K28 VanDerWaalsContact O-N 3.1Å
29N86.9Confident93.2Very high130 Ų13044.2 Ų44.270%0.69523%0.231SC*.THydrogen-bonded Turntrans-118.9-14.1-173.8-61.2-29.9000113.1G26 M27G26-N29 PolarHBondContact O-N 3.25Å; M27-N29 VanDerWaalsContact C-N 3.26Å; M27-N29 PolarHBondContact O-N 2.85Å
30H88.7Confident93.1Very high91 Ų9147.5 Ų47.542%0.42126%0.259SS..  trans-128.9137.1-176.2-54.6-84.6000110.9G26 M27 L32G26-H30 PolarHBondContact O-CD2 3.04Å; G26-H30 PolarHBondContact O-N 3.1Å; M27-H30 VanDerWaalsContact CA-O 3.24Å; M27-H30 WeakPolarHBondContact CA-O 3.27Å; H30-L32 WeakPolarHBondContact CB-O 3.31Å
31E86.3Confident93Very high87 Ų8750.3 Ų50.341%0.40727%0.274SS..SBendtrans-67.3-41.5172.1176.1172.9-165.900111.6H147E31-H147 HydrophobicContact CB-CB 4.49Å; E31-H147 WeakPolarHBondContact CG-NE2 3.16Å; E31-H147 IonicContact OE1-CD2 3.79Å; E31-H147 IonicContact OE1-NE2 2.68Å; E31-H147 IonicContact OE2-CD2 2.7Å
32L91.7Very high92.8Very high25 Ų2546.6 Ų46.613%0.13126%0.257CS..SBendtrans-120.2133.4174.3-59.3179.8000109H30 V65 R70 R74H30-L32 WeakPolarHBondContact CB-O 3.31Å; L32-V65 HydrophobicContact CD1-CB 3.86Å; L32-V65 HydrophobicContact CD1-CG1 3.87Å; L32-V65 HydrophobicContact CD2-CB 3.7Å; L32-V65 HydrophobicContact CD2-CG1 4.26Å; L32-V65 HydrophobicContact CD2-CG2 3.85Å; L32-V65 HydrophobicContact CG-CB 4.46Å; L32-R70 HydrophobicContact CD1-CB 4.36Å; L32-R74 HydrophobicContact CD2-CB 4.26Å; L32-R74 HydrophobicContact CD2-CG 4.37Å
33V94Very high92.5Very high0 Ų055.7 Ų55.70%030%0.296CS..BIsolated β-bridgetrans-101.6117-178.5-166.10000109V23 M27 L37 I38 G72 Y73V23-V33 HydrophobicContact CG1-CG2 4.18Å; M27-V33 HydrophobicContact CG-CG2 3.76Å; V33-L37 HydrophobicContact CG1-CB 4.19Å; V33-L37 HydrophobicContact CG1-CD2 3.86Å; V33-L37 HydrophobicContact CG1-CG 3.99Å; V33-I38 HydrophobicContact CB-CD1 4.42Å; V33-I38 HydrophobicContact CB-CG1 4.15Å; V33-I38 HydrophobicContact CG1-CD1 4.36Å; V33-I38 HydrophobicContact CG1-CG1 3.58Å; V33-G72 WeakPolarHBondContact O-CA 3.38Å; V33-Y73 PolarHBondContact N-O 2.65Å; V33-Y73 PolarHBondContact O-N 2.81Å
34G93.5Very high91.6Very high26 Ų2657 Ų5727%0.26830%0.304SS..  trans-72.3152.9178.100000112.5P36 L37 I38G34-P36 VanDerWaalsContact C-CD 3.47Å; G34-L37 PolarHBondContact O-N 2.84Å; G34-L37 VanDerWaalsContact O-N 3.12Å; G34-I38 WeakPolarHBondContact O-CG1 3.11Å; G34-I38 PolarHBondContact O-N 2.89Å
35E93Very high90.6Very high48 Ų4866.3 Ų66.322%0.22434%0.338CS..Hα-helixtrans-52.4-44.9179.7-172.7-171.8161.800113.7L37 I38 T39 I49 N50 L53E35-L37 VanDerWaalsContact C-N 3.25Å; E35-L37 PolarHBondContact O-N 2.97Å; E35-I38 PolarHBondContact O-N 2.86Å; E35-I38 VanDerWaalsContact O-N 3.1Å; E35-T39 PolarHBondContact O-N 3.29Å; E35-T39 PolarHBondContact O-OG1 2.94Å; E35-T39 VanDerWaalsContact O-OG1 3.08Å; E35-I49 HydrophobicContact CG-CG2 4.34Å; E35-I49 WeakPolarHBondContact OE1-CG2 3.2Å; E35-N50 VanDerWaalsContact CD-CG 3.47Å; E35-N50 PolarHBondContact OE1-ND2 3.28Å; E35-N50 PolarHBondContact OE1-OD1 2.83Å; E35-N50 VanDerWaalsContact OE2-CG 3.29Å; E35-N50 PolarHBondContact OE2-ND2 2.97Å; E35-N50 PolarHBondContact OE2-OD1 3.04Å; E35-L53 HydrophobicContact CG-CD1 4.09Å
36P91.6Very high89.6Confident101 Ų10168.3 Ų68.366%0.65635%0.345SS*.Hα-helixtrans-58.4-38.5179.6-25.335.5000113G34 A40G34-P36 VanDerWaalsContact C-CD 3.47Å; P36-A40 WeakPolarHBondContact O-CB 3.49Å; P36-A40 PolarHBondContact O-N 3.37Å; P36-A40 VanDerWaalsContact O-N 3.11Å
37L94.3Very high88.8Confident57 Ų5776.9 Ų76.930%0.29838%0.384SS..Hα-helixtrans-71.4-40.5177.8-179.558000111.3V33 G34 E35 T39 A40 L41V33-L37 HydrophobicContact CG1-CB 4.19Å; V33-L37 HydrophobicContact CG1-CD2 3.86Å; V33-L37 HydrophobicContact CG1-CG 3.99Å; G34-L37 PolarHBondContact O-N 2.84Å; G34-L37 VanDerWaalsContact O-N 3.12Å; E35-L37 VanDerWaalsContact C-N 3.25Å; E35-L37 PolarHBondContact O-N 2.97Å; L37-T39 VanDerWaalsContact C-N 3.33Å; L37-T39 PolarHBondContact O-N 3.41Å; L37-A40 PolarHBondContact O-N 3.37Å; L37-L41 HydrophobicContact CD1-CD1 3.89Å; L37-L41 HydrophobicContact CD1-CD2 4.42Å; L37-L41 HydrophobicContact CD1-CG 3.9Å; L37-L41 HydrophobicContact CG-CD1 3.91Å; L37-L41 HydrophobicContact CG-CG 4.32Å; L37-L41 WeakPolarHBondContact O-CB 3.16Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.26Å; L37-L41 PolarHBondContact O-N 3.05Å
38I95.5Very high88.3Confident0 Ų077.3 Ų77.30%040%0.395CS..Hα-helixtrans-59.6-47175.5-62.2169.2000110.1L19 A22 V23 V33 G34 E35 A40 L41 A42 I49 L53 Y73L19-I38 HydrophobicContact CD2-CG2 4Å; A22-I38 HydrophobicContact CB-CG2 4.15Å; V23-I38 HydrophobicContact CG2-CD1 3.68Å; V23-I38 HydrophobicContact CG2-CG1 3.89Å; V23-I38 HydrophobicContact CG2-CG2 4.35Å; V33-I38 HydrophobicContact CB-CD1 4.42Å; V33-I38 HydrophobicContact CB-CG1 4.15Å; V33-I38 HydrophobicContact CG1-CD1 4.36Å; V33-I38 HydrophobicContact CG1-CG1 3.58Å; G34-I38 WeakPolarHBondContact O-CG1 3.11Å; G34-I38 PolarHBondContact O-N 2.89Å; E35-I38 PolarHBondContact O-N 2.86Å; E35-I38 VanDerWaalsContact O-N 3.1Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 3.41Å; I38-L41 PolarHBondContact O-N 2.9Å; I38-A42 WeakPolarHBondContact O-CB 3.43Å; I38-A42 PolarHBondContact O-N 3.26Å; I38-I49 HydrophobicContact CG2-CD1 4.27Å; I38-L53 HydrophobicContact CD1-CD1 4.27Å; I38-L53 HydrophobicContact CD1-CD2 4.21Å; I38-L53 HydrophobicContact CG2-CD2 4.24Å; I38-Y73 HydrophobicContact CD1-CD2 3.49Å; I38-Y73 VanDerWaalsContact CD1-CD2 3.49Å; I38-Y73 HydrophobicContact CD1-CE2 4.32Å; I38-Y73 HydrophobicContact CD1-CG 3.96Å
39T93Very high88.4Confident10 Ų1071.6 Ų71.66%0.06137%0.37CS..Hα-helixtrans-60.9-43.8179.6-52.90000111.8E35 L37 K43 Q46 I49E35-T39 PolarHBondContact O-N 3.29Å; E35-T39 PolarHBondContact O-OG1 2.94Å; E35-T39 VanDerWaalsContact O-OG1 3.08Å; L37-T39 VanDerWaalsContact C-N 3.33Å; L37-T39 PolarHBondContact O-N 3.41Å; T39-K43 PolarHBondContact O-N 3.1Å; T39-Q46 HydrophobicContact CG2-CG 3.76Å; T39-I49 HydrophobicContact CG2-CD1 4.16Å; T39-I49 WeakPolarHBondContact OG1-CD1 3.36Å
40A93.2Very high88.6Confident71 Ų7168.3 Ų68.359%0.58735%0.353SS*.Hα-helixtrans-62.4-45.5177.600000112.2P36 L37 I38P36-A40 WeakPolarHBondContact O-CB 3.49Å; P36-A40 PolarHBondContact O-N 3.37Å; P36-A40 VanDerWaalsContact O-N 3.11Å; L37-A40 PolarHBondContact O-N 3.37Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 3.41Å
41L94.9Very high88.8Confident59 Ų5972.2 Ų72.231%0.30937%0.368SS..Hα-helixtrans-72.1-36.4-178.6-67.4177.7000112.8A22 L25 L37 I38 K43A22-L41 HydrophobicContact CB-CB 3.77Å; A22-L41 WeakPolarHBondContact O-CD1 3.34Å; L25-L41 HydrophobicContact CB-CD1 4.21Å; L25-L41 HydrophobicContact CD2-CD1 4.38Å; L25-L41 HydrophobicContact CD2-CD2 3.79Å; L25-L41 HydrophobicContact CD2-CG 4.47Å; L25-L41 HydrophobicContact CG-CD1 4.19Å; L25-L41 HydrophobicContact CG-CD2 4.3Å; L37-L41 HydrophobicContact CD1-CD1 3.89Å; L37-L41 HydrophobicContact CD1-CD2 4.42Å; L37-L41 HydrophobicContact CD1-CG 3.9Å; L37-L41 HydrophobicContact CG-CD1 3.91Å; L37-L41 HydrophobicContact CG-CG 4.32Å; L37-L41 WeakPolarHBondContact O-CB 3.16Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.26Å; L37-L41 PolarHBondContact O-N 3.05Å; I38-L41 PolarHBondContact O-N 2.9Å; L41-K43 VanDerWaalsContact C-N 3.26Å; L41-K43 PolarHBondContact O-N 3.33Å
42A92.9Very high89.1Confident7 Ų772.6 Ų72.66%0.05837%0.366CS..Hα-helixtrans-76.5-12.5-177.400000113.3L19 A22 I38 V44L19-A42 HydrophobicContact CD2-CB 3.86Å; A22-A42 HydrophobicContact CB-CB 3.63Å; I38-A42 WeakPolarHBondContact O-CB 3.43Å; I38-A42 PolarHBondContact O-N 3.26Å; A42-V44 HydrophobicContact CB-CG2 3.4Å; A42-V44 VanDerWaalsContact CB-CG2 3.4Å; A42-V44 PolarHBondContact O-N 2.91Å; A42-V44 VanDerWaalsContact O-N 3.11Å
43K89.1Confident89.3Confident193 Ų19371.4 Ų71.484%0.83936%0.36SS*.THydrogen-bonded Turntrans5034.4-177.2-59.2-176.9179-178.20113.1T39 L41T39-K43 PolarHBondContact O-N 3.1Å; L41-K43 VanDerWaalsContact C-N 3.26Å; L41-K43 PolarHBondContact O-N 3.33Å
44V79Confident89.3Confident27 Ų2779.1 Ų79.116%0.16439%0.389CS..  trans-105.4151.8176.1-92.20000110.1L19 A42 Q46 I49L19-V44 HydrophobicContact CD2-CG2 4Å; A42-V44 HydrophobicContact CB-CG2 3.4Å; A42-V44 VanDerWaalsContact CB-CG2 3.4Å; A42-V44 PolarHBondContact O-N 2.91Å; A42-V44 VanDerWaalsContact O-N 3.11Å; V44-Q46 PolarHBondContact O-N 2.86Å; V44-I49 HydrophobicContact CG2-CD1 4.22Å
45R75.2Confident89.3Confident227 Ų22780 Ų8086%0.85739%0.391SS*.  trans-59.6136.4173.8-66.5-179.5179151.3-0.7108.7H47R45-H47 PolarHBondContact O-N 3.34Å
46Q72Confident89.4Confident121 Ų12177.8 Ų77.857%0.56538%0.381SS*.SBendtrans-50.2-32177.7-80.6-92.2-16.500112.6T39 V44 G48 I49T39-Q46 HydrophobicContact CG2-CG 3.76Å; V44-Q46 PolarHBondContact O-N 2.86Å; Q46-G48 PolarHBondContact O-N 2.89Å; Q46-I49 WeakPolarHBondContact O-CG2 3.27Å; Q46-I49 PolarHBondContact O-N 3.19Å
47H78.5Confident89.6Confident184 Ų18475.1 Ų75.185%0.85236%0.363SS*.THydrogen-bonded Turntrans-66121.2-174.5-157.976.3000112R45 I49R45-H47 PolarHBondContact O-N 3.34Å; H47-I49 VanDerWaalsContact C-N 3.33Å; H47-I49 PolarHBondContact O-N 3.39Å
48G83Confident89.6Confident35 Ų3580.2 Ų80.236%0.36139%0.385SS..THydrogen-bonded Turntrans84.6-5.4177.500000115.6Q46 N50 K51 R52Q46-G48 PolarHBondContact O-N 2.89Å; G48-N50 VanDerWaalsContact C-N 3.28Å; G48-N50 PolarHBondContact O-N 3.44Å; G48-K51 PolarHBondContact O-N 3.47Å; G48-K51 VanDerWaalsContact O-N 3.16Å; G48-R52 PolarHBondContact O-N 3.14Å; G48-R52 VanDerWaalsContact O-N 3.16Å
49I89.9Confident89.4Confident5 Ų582.8 Ų82.83%0.02640%0.395CS..Hα-helixtrans-59.3-41.9-179.5-157.7176.5000111.5L19 E35 I38 T39 V44 Q46 H47 K51 R52 L53L19-I49 HydrophobicContact CD1-CG1 4.34Å; L19-I49 HydrophobicContact CD2-CD1 3.57Å; L19-I49 HydrophobicContact CD2-CG1 3.58Å; E35-I49 HydrophobicContact CG-CG2 4.34Å; E35-I49 WeakPolarHBondContact OE1-CG2 3.2Å; I38-I49 HydrophobicContact CG2-CD1 4.27Å; T39-I49 HydrophobicContact CG2-CD1 4.16Å; T39-I49 WeakPolarHBondContact OG1-CD1 3.36Å; V44-I49 HydrophobicContact CG2-CD1 4.22Å; Q46-I49 WeakPolarHBondContact O-CG2 3.27Å; Q46-I49 PolarHBondContact O-N 3.19Å; H47-I49 VanDerWaalsContact C-N 3.33Å; H47-I49 PolarHBondContact O-N 3.39Å; I49-K51 VanDerWaalsContact C-N 3.34Å; I49-K51 PolarHBondContact O-N 3.39Å; I49-R52 PolarHBondContact O-N 3.36Å; I49-R52 VanDerWaalsContact O-N 3.12Å; I49-L53 HydrophobicContact CG1-CD1 4.25Å; I49-L53 HydrophobicContact CG1-CG 4.36Å; I49-L53 WeakPolarHBondContact O-CG 3.42Å; I49-L53 PolarHBondContact O-N 3.47Å
50N90.7Very high89.4Confident61 Ų6183.5 Ų83.533%0.32640%0.404SS..Hα-helixtrans-58.2-42.7177.8-102.6-43.3000113.2E35 G48 L53 R54E35-N50 VanDerWaalsContact CD-CG 3.47Å; E35-N50 PolarHBondContact OE1-ND2 3.28Å; E35-N50 PolarHBondContact OE1-OD1 2.83Å; E35-N50 VanDerWaalsContact OE2-CG 3.29Å; E35-N50 PolarHBondContact OE2-ND2 2.97Å; E35-N50 PolarHBondContact OE2-OD1 3.04Å; G48-N50 VanDerWaalsContact C-N 3.28Å; G48-N50 PolarHBondContact O-N 3.44Å; N50-L53 PolarHBondContact O-N 3.17Å; N50-R54 VanDerWaalsContact O-CG 3.3Å; N50-R54 WeakPolarHBondContact O-CG 3.26Å; N50-R54 PolarHBondContact O-N 2.91Å
51K92.6Very high89.4Confident172 Ų17280.2 Ų80.275%0.74838%0.376SS*.Hα-helixtrans-64.9-41.9177.3-173.9179178.6-179.30110.7G48 I49 R54 S55G48-K51 PolarHBondContact O-N 3.47Å; G48-K51 VanDerWaalsContact O-N 3.16Å; I49-K51 VanDerWaalsContact C-N 3.34Å; I49-K51 PolarHBondContact O-N 3.39Å; K51-R54 PolarHBondContact O-N 3.44Å; K51-S55 PolarHBondContact O-N 2.98Å
52R93.1Very high89.4Confident95 Ų9577.5 Ų77.536%0.35836%0.362SS..Hα-helixtrans-66.7-45.1176.7-67.3-170.3-179-73.41.6112.1E15 L19 G48 I49 R54 S55 L56E15-R52 IonicContact OE2-CZ 3.22Å; E15-R52 IonicContact OE2-NE 2.9Å; E15-R52 PolarHBondContact OE2-NE 3.48Å; E15-R52 IonicContact OE2-NH1 3.73Å; E15-R52 IonicContact OE2-NH2 2.76Å; E15-R52 PolarHBondContact OE2-NH2 3.49Å; L19-R52 HydrophobicContact CD1-CB 3.61Å; L19-R52 HydrophobicContact CD1-CG 4.49Å; G48-R52 PolarHBondContact O-N 3.14Å; G48-R52 VanDerWaalsContact O-N 3.16Å; I49-R52 PolarHBondContact O-N 3.36Å; I49-R52 VanDerWaalsContact O-N 3.12Å; R52-R54 VanDerWaalsContact C-N 3.31Å; R52-R54 PolarHBondContact O-N 3.02Å; R52-S55 CarbonylContact O-C 3.55Å; R52-S55 WeakPolarHBondContact O-CA 3.45Å; R52-S55 WeakPolarHBondContact O-CB 3.23Å; R52-S55 PolarHBondContact O-N 3.04Å; R52-L56 WeakPolarHBondContact O-CG 3.4Å; R52-L56 PolarHBondContact O-N 2.99Å
53L95.4Very high89.4Confident0 Ų078.1 Ų78.10%037%0.368CS..Hα-helixtrans-58.4-43.5176-71.5173.4000111.5E35 I38 I49 N50 S55 L56 V57 L62 Y73E35-L53 HydrophobicContact CG-CD1 4.09Å; I38-L53 HydrophobicContact CD1-CD1 4.27Å; I38-L53 HydrophobicContact CD1-CD2 4.21Å; I38-L53 HydrophobicContact CG2-CD2 4.24Å; I49-L53 HydrophobicContact CG1-CD1 4.25Å; I49-L53 HydrophobicContact CG1-CG 4.36Å; I49-L53 WeakPolarHBondContact O-CG 3.42Å; I49-L53 PolarHBondContact O-N 3.47Å; N50-L53 PolarHBondContact O-N 3.17Å; L53-S55 VanDerWaalsContact C-N 3.35Å; L53-S55 PolarHBondContact O-N 2.79Å; L53-L56 PolarHBondContact O-N 3.4Å; L53-V57 WeakPolarHBondContact O-CG2 3.42Å; L53-V57 PolarHBondContact O-N 2.93Å; L53-L62 HydrophobicContact CD2-CD1 3.68Å; L53-Y73 HydrophobicContact CB-CE1 3.83Å; L53-Y73 HydrophobicContact CD1-CD2 4.39Å; L53-Y73 HydrophobicContact CD1-CE2 3.85Å
54R94.8Very high89.7Confident163 Ų16373.6 Ų73.662%0.61535%0.346SS*.Hα-helixtrans-61.4-41.4172.7-70.9177.1-167.5-177.63.9112.3N50 K51 R52 V57 Q58N50-R54 VanDerWaalsContact O-CG 3.3Å; N50-R54 WeakPolarHBondContact O-CG 3.26Å; N50-R54 PolarHBondContact O-N 2.91Å; K51-R54 PolarHBondContact O-N 3.44Å; R52-R54 VanDerWaalsContact C-N 3.31Å; R52-R54 PolarHBondContact O-N 3.02Å; R54-V57 PolarHBondContact O-N 3.02Å; R54-Q58 WeakPolarHBondContact O-CG 3.46Å; R54-Q58 PolarHBondContact O-N 3.47Å
55S94.2Very high90.3Very high45 Ų4573.8 Ų73.832%0.31535%0.347SS..Hα-helixtrans-62.9-42.6175.3-179.10000112.4K51 R52 L53 V57 Q58 R59K51-S55 PolarHBondContact O-N 2.98Å; R52-S55 CarbonylContact O-C 3.55Å; R52-S55 WeakPolarHBondContact O-CA 3.45Å; R52-S55 WeakPolarHBondContact O-CB 3.23Å; R52-S55 PolarHBondContact O-N 3.04Å; L53-S55 VanDerWaalsContact C-N 3.35Å; L53-S55 PolarHBondContact O-N 2.79Å; S55-V57 VanDerWaalsContact C-N 3.28Å; S55-V57 PolarHBondContact O-N 3.45Å; S55-Q58 PolarHBondContact O-N 3.26Å; S55-R59 WeakPolarHBondContact O-CB 3.46Å; S55-R59 WeakPolarHBondContact O-CG 3.47Å; S55-R59 PolarHBondContact O-N 3.26Å
56L95.1Very high91.1Very high0 Ų070.5 Ų70.50%034%0.339CS..Hα-helixtrans-63.3-35.1175-67.4175.7000112.1D16 L19 L20 R52 L53 G60 L61 L62D16-L56 HydrophobicContact CB-CD2 3.87Å; L19-L56 HydrophobicContact CB-CD1 3.86Å; L19-L56 HydrophobicContact CD1-CD1 4.14Å; L20-L56 HydrophobicContact CD2-CD1 4.24Å; L20-L56 HydrophobicContact CD2-CD2 4.49Å; L20-L56 HydrophobicContact CG-CD1 4.39Å; R52-L56 WeakPolarHBondContact O-CG 3.4Å; R52-L56 PolarHBondContact O-N 2.99Å; L53-L56 PolarHBondContact O-N 3.4Å; L56-G60 PolarHBondContact O-N 3.32Å; L56-L61 HydrophobicContact CD2-CB 4.42Å; L56-L61 HydrophobicContact CD2-CD1 3.81Å; L56-L61 PolarHBondContact O-N 2.96Å; L56-L62 HydrophobicContact CB-CB 4.28Å; L56-L62 HydrophobicContact CB-CD1 3.84Å; L56-L62 HydrophobicContact CB-CG 3.96Å; L56-L62 HydrophobicContact CD1-CD1 3.78Å; L56-L62 HydrophobicContact CD1-CG 4.39Å; L56-L62 HydrophobicContact CG-CD1 4.48Å; L56-L62 PolarHBondContact O-N 2.76Å
57V95.2Very high91.7Very high46 Ų4670.1 Ų70.128%0.27934%0.337SS..Hα-helixtrans-68-45.1172.7172.50000111.4L53 R54 S55 R59 G60 L62 Y73L53-V57 WeakPolarHBondContact O-CG2 3.42Å; L53-V57 PolarHBondContact O-N 2.93Å; R54-V57 PolarHBondContact O-N 3.02Å; S55-V57 VanDerWaalsContact C-N 3.28Å; S55-V57 PolarHBondContact O-N 3.45Å; V57-R59 VanDerWaalsContact C-N 3.27Å; V57-R59 PolarHBondContact O-N 2.93Å; V57-G60 WeakPolarHBondContact O-CA 3.5Å; V57-G60 PolarHBondContact O-N 3.41Å; V57-L62 WeakPolarHBondContact CA-O 3.41Å; V57-L62 HydrophobicContact CG2-CB 3.83Å; V57-Y73 HydrophobicContact CG2-CD1 3.92Å; V57-Y73 HydrophobicContact CG2-CE1 3.86Å
58Q93.4Very high91.7Very high164 Ų16468.8 Ų68.877%0.76634%0.342SS*.Hα-helixtrans-60.9-36.8176.5-74.4172.2-1600112.4R54 S55 G60R54-Q58 WeakPolarHBondContact O-CG 3.46Å; R54-Q58 PolarHBondContact O-N 3.47Å; S55-Q58 PolarHBondContact O-N 3.26Å; Q58-G60 PolarHBondContact O-N 3.36Å
59R92.3Very high91.6Very high53 Ų5378.6 Ų78.620%0.237%0.368CS..THydrogen-bonded Turntrans-76.9-2.8174.1-69167.562.9-168.22.3113.4I8 D16 S55 V57 L61I8-R59 HydrophobicContact CG2-CB 4.2Å; I8-R59 PolarHBondContact O-NH2 3.05Å; D16-R59 IonicContact OD2-CZ 3.95Å; D16-R59 IonicContact OD2-NH1 2.93Å; D16-R59 PolarHBondContact OD2-NH1 3.35Å; S55-R59 WeakPolarHBondContact O-CB 3.46Å; S55-R59 WeakPolarHBondContact O-CG 3.47Å; S55-R59 PolarHBondContact O-N 3.26Å; V57-R59 VanDerWaalsContact C-N 3.27Å; V57-R59 PolarHBondContact O-N 2.93Å; R59-L61 VanDerWaalsContact C-N 3.27Å; R59-L61 HydrophobicContact CB-CD1 4.36Å; R59-L61 HydrophobicContact CB-CG 4.18Å; R59-L61 PolarHBondContact O-N 2.92Å
60G91.8Very high91.2Very high25 Ų2586.3 Ų86.326%0.25840%0.397SS..THydrogen-bonded Turntrans71.114.9179.600000114.9L56 V57 Q58 T76L56-G60 PolarHBondContact O-N 3.32Å; V57-G60 WeakPolarHBondContact O-CA 3.5Å; V57-G60 PolarHBondContact O-N 3.41Å; Q58-G60 PolarHBondContact O-N 3.36Å; G60-T76 WeakPolarHBondContact O-CB 3.31Å; G60-T76 VanDerWaalsContact O-CG2 3.29Å; G60-T76 WeakPolarHBondContact O-CG2 3.5Å; G60-T76 PolarHBondContact O-OG1 3.21Å
61L93.8Very high91.3Very high2 Ų288.2 Ų88.21%0.0140%0.404CS..SBendtrans-82.2-30.3177.4-57.9177.6000111.7I8 L20 L56 R59 T76 F78 G79 C82I8-L61 HydrophobicContact CG2-CD1 4.31Å; I8-L61 HydrophobicContact CG2-CD2 4.12Å; I8-L61 HydrophobicContact CG2-CG 4.34Å; L20-L61 HydrophobicContact CD1-CD1 4.3Å; L20-L61 HydrophobicContact CD2-CB 3.94Å; L56-L61 HydrophobicContact CD2-CB 4.42Å; L56-L61 HydrophobicContact CD2-CD1 3.81Å; L56-L61 PolarHBondContact O-N 2.96Å; R59-L61 VanDerWaalsContact C-N 3.27Å; R59-L61 HydrophobicContact CB-CD1 4.36Å; R59-L61 HydrophobicContact CB-CG 4.18Å; R59-L61 PolarHBondContact O-N 2.92Å; L61-T76 PolarHBondContact O-N 3.2Å; L61-T76 PolarHBondContact O-OG1 2.82Å; L61-T76 VanDerWaalsContact O-OG1 3.12Å; L61-F78 HydrophobicContact CD2-CB 4.1Å; L61-G79 VanDerWaalsContact O-CA 3.31Å; L61-G79 WeakPolarHBondContact O-CA 3.27Å; L61-C82 HydrophobicContact CD2-CB 4.34Å
62L95Very high91.4Very high3 Ų380.1 Ų80.12%0.01637%0.37CS..EExtended strand (participates in β ladder)trans-118.8155.5170.1-67.2-179.8000110.3L20 V23 L53 L56 V57 Y73 R74 L75L20-L62 HydrophobicContact CD2-CD1 4.46Å; L20-L62 HydrophobicContact CD2-CD2 3.72Å; L20-L62 HydrophobicContact CD2-CG 3.8Å; V23-L62 HydrophobicContact CB-CD2 4.07Å; V23-L62 HydrophobicContact CG1-CD2 3.91Å; V23-L62 HydrophobicContact CG2-CD1 4.16Å; V23-L62 HydrophobicContact CG2-CD2 3.94Å; L53-L62 HydrophobicContact CD2-CD1 3.68Å; L56-L62 HydrophobicContact CB-CB 4.28Å; L56-L62 HydrophobicContact CB-CD1 3.84Å; L56-L62 HydrophobicContact CB-CG 3.96Å; L56-L62 HydrophobicContact CD1-CD1 3.78Å; L56-L62 HydrophobicContact CD1-CG 4.39Å; L56-L62 HydrophobicContact CG-CD1 4.48Å; L56-L62 PolarHBondContact O-N 2.76Å; V57-L62 WeakPolarHBondContact CA-O 3.41Å; V57-L62 HydrophobicContact CG2-CB 3.83Å; L62-Y73 HydrophobicContact CD1-CD1 4.29Å; L62-R74 WeakPolarHBondContact CA-O 3.48Å; L62-L75 HydrophobicContact CD2-CD2 4.27Å; L62-L75 HydrophobicContact CD2-CG 4.14Å
63A93.7Very high91.6Very high20 Ų2076.3 Ų76.317%0.16536%0.355CS..EExtended strand (participates in β ladder)trans-115126.6164.600000108.7Y73 R74 T76A63-Y73 CarbonylContact O-C 3.57Å; A63-Y73 WeakPolarHBondContact O-CA 3.4Å; A63-R74 HydrophobicContact CB-CG 3.98Å; A63-R74 PolarHBondContact N-O 3.49Å; A63-R74 PolarHBondContact O-N 3.44Å; A63-T76 HydrophobicContact CB-CG2 4.03Å
64Y95.1Very high91.5Very high97 Ų9781.5 Ų81.538%0.3838%0.375SS..EExtended strand (participates in β ladder)trans-85.6129.6166.5-176-107.3000109K66 E71 Y73Y64-K66 HydrophobicContact CE1-CB 4Å; Y64-E71 PolarHBondContact OH-OE2 3.48Å; Y64-Y73 AromaticContact CD2-CD1 3.98Å; Y64-Y73 HydrophobicContact CD2-CD1 3.98Å; Y64-Y73 HydrophobicContact CD2-CD2 4.27Å; Y64-Y73 AromaticContact CD2-CE1 3.62Å; Y64-Y73 HydrophobicContact CD2-CE1 3.62Å; Y64-Y73 AromaticContact CD2-CE2 3.92Å; Y64-Y73 HydrophobicContact CD2-CE2 3.92Å; Y64-Y73 HydrophobicContact CD2-CG 4.3Å; Y64-Y73 AromaticContact CD2-CZ 3.58Å; Y64-Y73 HydrophobicContact CE2-CE1 4.5Å; Y64-Y73 HydrophobicContact CE2-CE2 4.11Å; Y64-Y73 HydrophobicContact CG-CE1 4.28Å
65V92.1Very high91.5Very high32 Ų3273.9 Ų73.919%0.19435%0.346CS..EExtended strand (participates in β ladder)trans-124.3128.4179.3-178.90000108.1L32 Q67 E71 G72 R74L32-V65 HydrophobicContact CD1-CB 3.86Å; L32-V65 HydrophobicContact CD1-CG1 3.87Å; L32-V65 HydrophobicContact CD2-CB 3.7Å; L32-V65 HydrophobicContact CD2-CG1 4.26Å; L32-V65 HydrophobicContact CD2-CG2 3.85Å; L32-V65 HydrophobicContact CG-CB 4.46Å; V65-Q67 HydrophobicContact CG1-CG 4.07Å; V65-E71 WeakPolarHBondContact O-CA 3.45Å; V65-G72 PolarHBondContact N-O 2.95Å; V65-G72 PolarHBondContact O-N 2.95Å; V65-R74 HydrophobicContact CG2-CG 4.47Å
66K91.5Very high91.3Very high157 Ų15772.7 Ų72.768%0.68334%0.337SS*.EExtended strand (participates in β ladder)trans-121.2107.6174-171.3170.7-171.5170.80109.4Y64 E71Y64-K66 HydrophobicContact CE1-CB 4Å; K66-E71 HydrophobicContact CB-CB 4.35Å; K66-E71 WeakPolarHBondContact CD-OE2 3.44Å; K66-E71 VanDerWaalsContact CE-OE2 3.29Å; K66-E71 WeakPolarHBondContact CE-OE2 3.47Å; K66-E71 HydrophobicContact CG-CB 4.15Å; K66-E71 IonicContact NZ-OE2 3.8Å
67Q83.5Confident91.1Very high114 Ų11474.2 Ų74.253%0.53334%0.344SS..EExtended strand (participates in β ladder)trans-111.2164.6172.4-68.5176.6-11.600109.6V65 R69 R70V65-Q67 HydrophobicContact CG1-CG 4.07Å; Q67-R69 PolarHBondContact O-N 3.42Å; Q67-R70 WeakPolarHBondContact CA-O 3.36Å; Q67-R70 WeakPolarHBondContact CB-O 3.43Å; Q67-R70 PolarHBondContact N-O 2.8Å; Q67-R70 PolarHBondContact O-N 2.84Å
68T79.7Confident90.9Very high156 Ų15673.7 Ų73.796%0.95734%0.338SS*.THydrogen-bonded Turntrans-51.1-30.1-17320.50000115.4
69R79.7Confident90.9Very high240 Ų24065.9 Ų65.991%0.90630%0.302SS*.THydrogen-bonded Turntrans-125.9-2.3-179.4-65.6-173.9-179.6150.4-0114.6Q67Q67-R69 PolarHBondContact O-N 3.42Å
70R83.4Confident91Very high168 Ų16863.8 Ų63.863%0.63429%0.294SS*.EExtended strand (participates in β ladder)trans-146.1126.8-174.3-66.2-174.1179.3177.80109.3L32 Q67L32-R70 HydrophobicContact CD1-CB 4.36Å; Q67-R70 WeakPolarHBondContact CA-O 3.36Å; Q67-R70 WeakPolarHBondContact CB-O 3.43Å; Q67-R70 PolarHBondContact N-O 2.8Å; Q67-R70 PolarHBondContact O-N 2.84Å
71E92.3Very high91.1Very high101 Ų10162.6 Ų62.647%0.47228%0.281SS..EExtended strand (participates in β ladder)trans-129.7152.2167.970.5-178179.100110.7Y64 V65 K66Y64-E71 PolarHBondContact OH-OE2 3.48Å; V65-E71 WeakPolarHBondContact O-CA 3.45Å; K66-E71 HydrophobicContact CB-CB 4.35Å; K66-E71 WeakPolarHBondContact CD-OE2 3.44Å; K66-E71 VanDerWaalsContact CE-OE2 3.29Å; K66-E71 WeakPolarHBondContact CE-OE2 3.47Å; K66-E71 HydrophobicContact CG-CB 4.15Å; K66-E71 IonicContact NZ-OE2 3.8Å
72G95Very high91.2Very high2 Ų262.5 Ų62.52%0.02128%0.281CS..EExtended strand (participates in β ladder)trans163.8-172178.600000112.4V33 V65V33-G72 WeakPolarHBondContact O-CA 3.38Å; V65-G72 PolarHBondContact N-O 2.95Å; V65-G72 PolarHBondContact O-N 2.95Å
73Y95.7Very high91.2Very high15 Ų1562.5 Ų62.56%0.05928%0.281CS..EExtended strand (participates in β ladder)trans-106.9149.2-177.3-58.6-95.5000110.6V33 I38 L53 V57 L62 A63 Y64V33-Y73 PolarHBondContact N-O 2.65Å; V33-Y73 PolarHBondContact O-N 2.81Å; I38-Y73 HydrophobicContact CD1-CD2 3.49Å; I38-Y73 VanDerWaalsContact CD1-CD2 3.49Å; I38-Y73 HydrophobicContact CD1-CE2 4.32Å; I38-Y73 HydrophobicContact CD1-CG 3.96Å; L53-Y73 HydrophobicContact CB-CE1 3.83Å; L53-Y73 HydrophobicContact CD1-CD2 4.39Å; L53-Y73 HydrophobicContact CD1-CE2 3.85Å; V57-Y73 HydrophobicContact CG2-CD1 3.92Å; V57-Y73 HydrophobicContact CG2-CE1 3.86Å; L62-Y73 HydrophobicContact CD1-CD1 4.29Å; A63-Y73 CarbonylContact O-C 3.57Å; A63-Y73 WeakPolarHBondContact O-CA 3.4Å; Y64-Y73 AromaticContact CD2-CD1 3.98Å; Y64-Y73 HydrophobicContact CD2-CD1 3.98Å; Y64-Y73 HydrophobicContact CD2-CD2 4.27Å; Y64-Y73 AromaticContact CD2-CE1 3.62Å; Y64-Y73 HydrophobicContact CD2-CE1 3.62Å; Y64-Y73 AromaticContact CD2-CE2 3.92Å; Y64-Y73 HydrophobicContact CD2-CE2 3.92Å; Y64-Y73 HydrophobicContact CD2-CG 4.3Å; Y64-Y73 AromaticContact CD2-CZ 3.58Å; Y64-Y73 HydrophobicContact CE2-CE1 4.5Å; Y64-Y73 HydrophobicContact CE2-CE2 4.11Å; Y64-Y73 HydrophobicContact CG-CE1 4.28Å
74R94Very high91.3Very high108 Ų10861.6 Ų61.641%0.40827%0.273SS..EExtended strand (participates in β ladder)trans-135.1153166.364.9-179.7-176.889.3-3.6109.9M27 L32 L62 A63 V65M27-R74 HydrophobicContact CE-CB 4.17Å; M27-R74 HydrophobicContact SD-CB 4.1Å; L32-R74 HydrophobicContact CD2-CB 4.26Å; L32-R74 HydrophobicContact CD2-CG 4.37Å; L62-R74 WeakPolarHBondContact CA-O 3.48Å; A63-R74 HydrophobicContact CB-CG 3.98Å; A63-R74 PolarHBondContact N-O 3.49Å; A63-R74 PolarHBondContact O-N 3.44Å; V65-R74 HydrophobicContact CG2-CG 4.47Å
75L94.4Very high91.3Very high3 Ų357 Ų572%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-65.3139.3170-85.6147.6000110.8L20 V23 E24 M27 L62 G79 Y80 L83 L151L20-L75 HydrophobicContact CB-CD2 4.42Å; L20-L75 HydrophobicContact CD2-CD2 3.93Å; V23-L75 HydrophobicContact CB-CD1 4.42Å; V23-L75 HydrophobicContact CB-CG 4.41Å; V23-L75 HydrophobicContact CG1-CD1 4.23Å; V23-L75 HydrophobicContact CG1-CG 4.03Å; E24-L75 HydrophobicContact CB-CD1 3.48Å; E24-L75 VanDerWaalsContact CB-CD1 3.48Å; E24-L75 HydrophobicContact CG-CD1 4.16Å; M27-L75 HydrophobicContact SD-CB 3.75Å; M27-L75 HydrophobicContact SD-CD1 4.07Å; M27-L75 HydrophobicContact SD-CG 4.28Å; M27-L75 PolarHBondContact SD-N 2.91Å; L62-L75 HydrophobicContact CD2-CD2 4.27Å; L62-L75 HydrophobicContact CD2-CG 4.14Å; L75-G79 VanDerWaalsContact CD2-C 3.48Å; L75-Y80 HydrophobicContact CD1-CD2 4.47Å; L75-L83 HydrophobicContact CD1-CD1 4.26Å; L75-L83 HydrophobicContact CD2-CD1 4.14Å; L75-L151 HydrophobicContact CB-CD1 3.67Å
76T91.6Very high91.4Very high21 Ų2157.3 Ų57.313%0.12926%0.256CS..  trans-87.2171.6162.469.60000109.5G60 L61 A63 F78 G79 Y80G60-T76 WeakPolarHBondContact O-CB 3.31Å; G60-T76 VanDerWaalsContact O-CG2 3.29Å; G60-T76 WeakPolarHBondContact O-CG2 3.5Å; G60-T76 PolarHBondContact O-OG1 3.21Å; L61-T76 PolarHBondContact O-N 3.2Å; L61-T76 PolarHBondContact O-OG1 2.82Å; L61-T76 VanDerWaalsContact O-OG1 3.12Å; A63-T76 HydrophobicContact CB-CG2 4.03Å; T76-F78 VanDerWaalsContact C-N 3.28Å; T76-F78 PolarHBondContact O-N 3.22Å; T76-F78 PolarHBondContact OG1-N 3.37Å; T76-G79 PolarHBondContact O-N 3.37Å; T76-G79 PolarHBondContact OG1-N 2.86Å; T76-G79 VanDerWaalsContact OG1-N 3.09Å; T76-Y80 WeakPolarHBondContact O-CB 3.38Å; T76-Y80 PolarHBondContact O-N 3.48Å
77F89.7Confident91.6Very high32 Ų3250.7 Ų50.714%0.1423%0.231CC..Hα-helixtrans-57.2-40.7169.5-84.5-71000112.1M1 Y80 D81 L127 W150 L151M1-F77 HydrophobicContact CE-CD2 4.14Å; M1-F77 HydrophobicContact SD-CD2 4.35Å; F77-Y80 CarbonylContact O-C 3.59Å; F77-Y80 WeakPolarHBondContact O-CA 3.16Å; F77-Y80 WeakPolarHBondContact O-CB 3.18Å; F77-Y80 PolarHBondContact O-N 3.23Å; F77-Y80 VanDerWaalsContact O-N 3.13Å; F77-D81 PolarHBondContact O-N 3.05Å; F77-D81 VanDerWaalsContact O-OD1 3.09Å; F77-L127 WeakPolarHBondContact CZ-O 3.42Å; F77-W150 HydrophobicContact CZ-CB 4.11Å; F77-L151 HydrophobicContact CD1-CD2 3.44Å; F77-L151 VanDerWaalsContact CD1-CD2 3.44Å; F77-L151 HydrophobicContact CE1-CD2 3.49Å; F77-L151 VanDerWaalsContact CE1-CD2 3.49Å; F77-L151 HydrophobicContact CG-CD2 3.99Å; F77-L151 HydrophobicContact CZ-CD2 4.04Å
78F90.5Very high92.2Very high35 Ų3545.3 Ų45.315%0.15421%0.205CC..Hα-helixtrans-69.1-36.8179.2-54.4-49.9000113.5P2 M4 L61 T76 Y80 D81 C82P2-F78 HydrophobicContact CB-CE2 4.01Å; P2-F78 HydrophobicContact CB-CZ 3.87Å; P2-F78 HydrophobicContact CG-CE2 3.94Å; P2-F78 HydrophobicContact CG-CZ 4.18Å; P2-F78 WeakPolarHBondContact O-CZ 3.35Å; M4-F78 HydrophobicContact CB-CD1 4.27Å; M4-F78 HydrophobicContact CB-CE1 4.29Å; M4-F78 HydrophobicContact CG-CD1 4.41Å; L61-F78 HydrophobicContact CD2-CB 4.1Å; T76-F78 VanDerWaalsContact C-N 3.28Å; T76-F78 PolarHBondContact O-N 3.22Å; T76-F78 PolarHBondContact OG1-N 3.37Å; F78-Y80 PolarHBondContact O-N 3.19Å; F78-D81 PolarHBondContact O-N 3.46Å; F78-C82 WeakPolarHBondContact O-CB 3.42Å; F78-C82 PolarHBondContact O-N 3.07Å
79G94.3Very high92.8Very high0 Ų040.3 Ų40.30%017%0.171CC..Hα-helixtrans-62.2-36.8171.200000111.5L61 L75 T76 C82 L83L61-G79 VanDerWaalsContact O-CA 3.31Å; L61-G79 WeakPolarHBondContact O-CA 3.27Å; L75-G79 VanDerWaalsContact CD2-C 3.48Å; T76-G79 PolarHBondContact O-N 3.37Å; T76-G79 PolarHBondContact OG1-N 2.86Å; T76-G79 VanDerWaalsContact OG1-N 3.09Å; G79-C82 PolarHBondContact O-N 3.06Å; G79-L83 WeakPolarHBondContact O-CG 2.92Å; G79-L83 PolarHBondContact O-N 2.95Å
80Y94.7Very high93.5Very high8 Ų836 Ų363%0.03116%0.16CC..Hα-helixtrans-69.7-40.5176.4-149.9-130.7000112.3E24 L75 T76 F77 F78 C82 L83 A84 L151 R155 R183 H184E24-Y80 HydrophobicContact CG-CE2 4.13Å; E24-Y80 VanDerWaalsContact OE1-CE2 3.28Å; E24-Y80 WeakPolarHBondContact OE1-CE2 3.39Å; E24-Y80 PolarHBondContact OE1-OH 3.47Å; L75-Y80 HydrophobicContact CD1-CD2 4.47Å; T76-Y80 WeakPolarHBondContact O-CB 3.38Å; T76-Y80 PolarHBondContact O-N 3.48Å; F77-Y80 CarbonylContact O-C 3.59Å; F77-Y80 WeakPolarHBondContact O-CA 3.16Å; F77-Y80 WeakPolarHBondContact O-CB 3.18Å; F77-Y80 PolarHBondContact O-N 3.23Å; F77-Y80 VanDerWaalsContact O-N 3.13Å; F78-Y80 PolarHBondContact O-N 3.19Å; Y80-C82 VanDerWaalsContact C-N 3.32Å; Y80-C82 PolarHBondContact O-N 3.25Å; Y80-L83 PolarHBondContact O-N 2.88Å; Y80-A84 WeakPolarHBondContact O-CB 3.37Å; Y80-A84 PolarHBondContact O-N 3.1Å; Y80-L151 HydrophobicContact CD1-CB 3.92Å; Y80-L151 HydrophobicContact CD1-CD1 4.46Å; Y80-L151 HydrophobicContact CD1-CD2 3.75Å; Y80-L151 HydrophobicContact CD1-CG 4.25Å; Y80-L151 HydrophobicContact CD2-CD1 4.15Å; Y80-L151 HydrophobicContact CE1-CB 3.92Å; Y80-L151 HydrophobicContact CG-CB 4.3Å; Y80-L151 HydrophobicContact CG-CD1 4.04Å; Y80-L151 HydrophobicContact CG-CD2 3.94Å; Y80-L151 HydrophobicContact CG-CG 4.32Å; Y80-R155 WeakPolarHBondContact OH-CD 3.42Å; Y80-R183 HydrophobicContact CE1-CB 3.74Å; Y80-R183 HydrophobicContact CE1-CG 4.31Å; Y80-R183 HydrophobicContact CE2-CB 4.35Å; Y80-R183 HydrophobicContact CE2-CG 4.04Å; Y80-R183 WeakPolarHBondContact OH-CG 3.28Å; Y80-H184 HydrophobicContact CD1-CB 4.38Å; Y80-H184 AromaticContact CD1-CE1 3.25Å; Y80-H184 WeakPolarHBondContact CD1-CE1 3.24Å; Y80-H184 AromaticContact CD1-CG 3.59Å; Y80-H184 AromaticContact CD1-ND1 2.97Å; Y80-H184 WeakPolarHBondContact CD1-ND1 3.49Å; Y80-H184 AromaticContact CD1-NE2 3.93Å; Y80-H184 HydrophobicContact CE1-CB 4.1Å; Y80-H184 AromaticContact CE1-CE1 3.97Å; Y80-H184 AromaticContact CE1-CG 3.77Å; Y80-H184 AromaticContact CE1-ND1 3.22Å; Y80-H184 WeakPolarHBondContact CE1-ND1 3.39Å; Y80-H184 AromaticContact CG-CE1 3.82Å; Y80-H184 AromaticContact CG-ND1 3.91Å
81D94.5Very high94Very high0 Ų033.7 Ų33.70%016%0.157CC..Hα-helixtrans-58.7-45173-60.2-20.1000111M4 I9 F77 F78 L83 A84 L85 F124 R126 H184M4-D81 HydrophobicContact CG-CB 4.49Å; M4-D81 HydrophobicContact SD-CB 3.81Å; I9-D81 HydrophobicContact CD1-CB 3.98Å; F77-D81 PolarHBondContact O-N 3.05Å; F77-D81 VanDerWaalsContact O-OD1 3.09Å; F78-D81 PolarHBondContact O-N 3.46Å; D81-L83 VanDerWaalsContact C-N 3.33Å; D81-L83 PolarHBondContact O-N 2.85Å; D81-A84 PolarHBondContact O-N 2.65Å; D81-L85 WeakPolarHBondContact O-CB 3.33Å; D81-L85 WeakPolarHBondContact O-CG 3.43Å; D81-L85 PolarHBondContact O-N 3.31Å; D81-F124 HydrophobicContact CB-CD1 4.33Å; D81-F124 HydrophobicContact CB-CE1 3.85Å; D81-F124 VanDerWaalsContact OD1-CD1 3.31Å; D81-F124 WeakPolarHBondContact OD1-CD1 3.32Å; D81-R126 VanDerWaalsContact CG-NH1 3.31Å; D81-R126 VanDerWaalsContact CG-NH2 3.29Å; D81-R126 IonicContact OD1-CZ 3.15Å; D81-R126 VanDerWaalsContact OD1-CZ 3.31Å; D81-R126 IonicContact OD1-NH1 3.97Å; D81-R126 PolarHBondContact OD1-NH1 3.34Å; D81-R126 IonicContact OD1-NH2 2.84Å; D81-R126 PolarHBondContact OD1-NH2 3.49Å; D81-R126 IonicContact OD2-CZ 2.67Å; D81-R126 IonicContact OD2-NH1 3.95Å; D81-R126 PolarHBondContact OD2-NH1 3.06Å; D81-R126 VanDerWaalsContact OD2-NH1 3.15Å; D81-R126 IonicContact OD2-NH2 3.98Å; D81-R126 PolarHBondContact OD2-NH2 2.89Å; D81-H184 IonicContact OD1-CD2 2.95Å; D81-H184 IonicContact OD1-CE1 2.73Å; D81-H184 PolarHBondContact OD1-CE1 3.37Å; D81-H184 IonicContact OD1-NE2 3.05Å; D81-H184 PolarHBondContact OD1-NE2 3.09Å
82C94.4Very high94.1Very high1 Ų130.3 Ų30.31%0.00715%0.149CC..Hα-helixtrans-58.2-46.3178.6-179.70000111.6I9 A12 L20 L61 F78 G79 Y80 N86I9-C82 HydrophobicContact CG1-CB 4.03Å; I9-C82 HydrophobicContact CG2-CB 4.21Å; A12-C82 VanDerWaalsContact CB-SG 3.56Å; L20-C82 HydrophobicContact CD1-CB 4.3Å; L61-C82 HydrophobicContact CD2-CB 4.34Å; F78-C82 WeakPolarHBondContact O-CB 3.42Å; F78-C82 PolarHBondContact O-N 3.07Å; G79-C82 PolarHBondContact O-N 3.06Å; Y80-C82 VanDerWaalsContact C-N 3.32Å; Y80-C82 PolarHBondContact O-N 3.25Å; C82-N86 WeakPolarHBondContact O-CB 3.4Å; C82-N86 PolarHBondContact O-N 3.48Å
83L96Very high94.1Very high3 Ų330.7 Ų30.72%0.01615%0.152CC..Hα-helixtrans-65.2-40177.3-71.7178.5000113.1L17 L20 Q21 E24 L75 G79 Y80 D81 A87 R183L17-L83 HydrophobicContact CD2-CD2 4.28Å; L20-L83 HydrophobicContact CB-CD1 4.01Å; L20-L83 HydrophobicContact CB-CD2 3.7Å; L20-L83 HydrophobicContact CB-CG 3.9Å; Q21-L83 HydrophobicContact CG-CD2 3.55Å; E24-L83 HydrophobicContact CB-CD1 4.18Å; L75-L83 HydrophobicContact CD1-CD1 4.26Å; L75-L83 HydrophobicContact CD2-CD1 4.14Å; G79-L83 WeakPolarHBondContact O-CG 2.92Å; G79-L83 PolarHBondContact O-N 2.95Å; Y80-L83 PolarHBondContact O-N 2.88Å; D81-L83 VanDerWaalsContact C-N 3.33Å; D81-L83 PolarHBondContact O-N 2.85Å; L83-A87 PolarHBondContact O-N 2.6Å; L83-R183 PolarHBondContact O-NH1 3.13Å
84A96.2Very high94Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-68.3-51-179.700000111.4Y80 D81 N86 A87 L88 R183 C185Y80-A84 WeakPolarHBondContact O-CB 3.37Å; Y80-A84 PolarHBondContact O-N 3.1Å; D81-A84 PolarHBondContact O-N 2.65Å; A84-N86 PolarHBondContact O-N 2.81Å; A84-A87 PolarHBondContact O-N 3.07Å; A84-A87 VanDerWaalsContact O-N 3.16Å; A84-L88 WeakPolarHBondContact O-CG 3.46Å; A84-L88 PolarHBondContact O-N 2.89Å; A84-R183 HydrophobicContact CB-CB 4.08Å; A84-C185 HydrophobicContact CB-CB 4.07Å; A84-C185 WeakPolarHBondContact CB-SG 3.34Å
85L95.1Very high94Very high1 Ų129.4 Ų29.41%0.00515%0.151CC..Hα-helixtrans-61.1-44.2177.8-74.5-176.4000111.8M4 I9 D81 A87 L88 F89 V97 I122 F124M4-L85 HydrophobicContact CE-CD1 4.15Å; M4-L85 HydrophobicContact SD-CD1 4.28Å; I9-L85 HydrophobicContact CD1-CD1 3.62Å; I9-L85 HydrophobicContact CG2-CB 4.19Å; I9-L85 HydrophobicContact CG2-CD1 4.13Å; D81-L85 WeakPolarHBondContact O-CB 3.33Å; D81-L85 WeakPolarHBondContact O-CG 3.43Å; D81-L85 PolarHBondContact O-N 3.31Å; L85-A87 PolarHBondContact O-N 2.81Å; L85-L88 HydrophobicContact CD2-CD1 4.47Å; L85-L88 PolarHBondContact O-N 3.08Å; L85-L88 VanDerWaalsContact O-N 3.12Å; L85-F89 HydrophobicContact CB-CD2 4.31Å; L85-F89 HydrophobicContact CB-CE2 3.91Å; L85-F89 WeakPolarHBondContact O-CD2 3.41Å; L85-F89 WeakPolarHBondContact O-CG 3.35Å; L85-F89 PolarHBondContact O-N 2.92Å; L85-V97 HydrophobicContact CD1-CG2 4.31Å; L85-V97 HydrophobicContact CD2-CG2 4.08Å; L85-I122 HydrophobicContact CD2-CD1 3.78Å; L85-F124 HydrophobicContact CD1-CZ 4.09Å; L85-F124 HydrophobicContact CD2-CE1 4.49Å; L85-F124 HydrophobicContact CD2-CZ 3.92Å; L85-F124 HydrophobicContact CG-CE1 4.29Å; L85-F124 HydrophobicContact CG-CZ 4.03Å
86N94Very high94Very high38 Ų3830.9 Ų30.920%0.20316%0.162CC..Hα-helixtrans-56-41.5176.4-174.879.4000111.9L17 C82 A84 H90L17-N86 HydrophobicContact CD1-CB 4.38Å; L17-N86 VanDerWaalsContact CD1-CG 3.5Å; L17-N86 WeakPolarHBondContact CD1-OD1 3.5Å; L17-N86 HydrophobicContact CD2-CB 3.91Å; C82-N86 WeakPolarHBondContact O-CB 3.4Å; C82-N86 PolarHBondContact O-N 3.48Å; A84-N86 PolarHBondContact O-N 2.81Å; N86-H90 PolarHBondContact ND2-CD2 3.09Å; N86-H90 VanDerWaalsContact ND2-CD2 3.3Å; N86-H90 PolarHBondContact O-CD2 3.02Å; N86-H90 PolarHBondContact O-N 3.1Å; N86-H90 VanDerWaalsContact O-N 3.11Å
87A95.3Very high94.1Very high19 Ų1930.7 Ų30.716%0.15716%0.16CC..Hα-helixtrans-68.8-40.6177.400000112.5L83 A84 L85 H90 Q91 N182L83-A87 PolarHBondContact O-N 2.6Å; A84-A87 PolarHBondContact O-N 3.07Å; A84-A87 VanDerWaalsContact O-N 3.16Å; L85-A87 PolarHBondContact O-N 2.81Å; A87-H90 PolarHBondContact O-N 3.43Å; A87-Q91 WeakPolarHBondContact O-CB 3.46Å; A87-Q91 VanDerWaalsContact O-CG 3.23Å; A87-Q91 WeakPolarHBondContact O-CG 3.48Å; A87-Q91 PolarHBondContact O-N 2.75Å; A87-N182 HydrophobicContact CB-CB 4.38Å; A87-N182 VanDerWaalsContact CB-CG 3.45Å; A87-N182 VanDerWaalsContact CB-ND2 3.25Å; A87-N182 WeakPolarHBondContact CB-ND2 3.3Å
88L95.5Very high94.2Very high0 Ų030.9 Ų30.90%017%0.172CC..Hα-helixtrans-64.6-40.3177.2-69.7167.4000112.3A84 L85 Q91 G92 A93 N182 C185 V187A84-L88 WeakPolarHBondContact O-CG 3.46Å; A84-L88 PolarHBondContact O-N 2.89Å; L85-L88 HydrophobicContact CD2-CD1 4.47Å; L85-L88 PolarHBondContact O-N 3.08Å; L85-L88 VanDerWaalsContact O-N 3.12Å; L88-Q91 PolarHBondContact O-N 2.99Å; L88-G92 PolarHBondContact O-N 2.88Å; L88-A93 HydrophobicContact CD2-CB 4.09Å; L88-A93 PolarHBondContact O-N 2.91Å; L88-A93 VanDerWaalsContact O-N 3.11Å; L88-N182 HydrophobicContact CD1-CB 4.36Å; L88-N182 HydrophobicContact CD2-CB 3.83Å; L88-N182 HydrophobicContact CG-CB 3.78Å; L88-C185 HydrophobicContact CD1-CB 3.88Å; L88-V187 HydrophobicContact CD1-CG2 3.65Å; L88-V187 HydrophobicContact CD2-CG2 3.73Å; L88-V187 HydrophobicContact CG-CG2 4.21Å
89F93.7Very high94.3Very high52 Ų5232.8 Ų32.823%0.22819%0.189CC..Hα-helixtrans-61.2-47.2172.8-69-55.4000111.4L85 Q91 G92 V94 E95 V97L85-F89 HydrophobicContact CB-CD2 4.31Å; L85-F89 HydrophobicContact CB-CE2 3.91Å; L85-F89 WeakPolarHBondContact O-CD2 3.41Å; L85-F89 WeakPolarHBondContact O-CG 3.35Å; L85-F89 PolarHBondContact O-N 2.92Å; F89-Q91 VanDerWaalsContact C-N 3.28Å; F89-Q91 PolarHBondContact O-N 3.24Å; F89-G92 PolarHBondContact O-N 3.47Å; F89-V94 HydrophobicContact CD1-CB 4.4Å; F89-V94 HydrophobicContact CD1-CG1 4.3Å; F89-V94 VanDerWaalsContact CD1-O 3.26Å; F89-V94 WeakPolarHBondContact CD1-O 3.37Å; F89-V94 HydrophobicContact CE1-CB 4.38Å; F89-V94 HydrophobicContact CE1-CG1 3.82Å; F89-E95 VanDerWaalsContact CE1-O 3.3Å; F89-E95 WeakPolarHBondContact CE1-O 3.19Å; F89-V97 HydrophobicContact CE1-CG2 4.38Å; F89-V97 HydrophobicContact CZ-CG2 3.84Å
90H93.2Very high94.2Very high148 Ų14835 Ų3569%0.68520%0.2SC*.Hα-helixtrans-65-31.1178-81.9-60000113.6N86 A87 G92N86-H90 PolarHBondContact ND2-CD2 3.09Å; N86-H90 VanDerWaalsContact ND2-CD2 3.3Å; N86-H90 PolarHBondContact O-CD2 3.02Å; N86-H90 PolarHBondContact O-N 3.1Å; N86-H90 VanDerWaalsContact O-N 3.11Å; A87-H90 PolarHBondContact O-N 3.43Å; H90-G92 PolarHBondContact O-N 3.47Å
91Q94.6Very high94Very high121 Ų12138.7 Ų38.757%0.56522%0.22SC*.Hα-helixtrans-75.2-12.6174.8-73.2170.9-2900112.8A87 L88 F89 A93A87-Q91 WeakPolarHBondContact O-CB 3.46Å; A87-Q91 VanDerWaalsContact O-CG 3.23Å; A87-Q91 WeakPolarHBondContact O-CG 3.48Å; A87-Q91 PolarHBondContact O-N 2.75Å; L88-Q91 PolarHBondContact O-N 2.99Å; F89-Q91 VanDerWaalsContact C-N 3.28Å; F89-Q91 PolarHBondContact O-N 3.24Å; Q91-A93 PolarHBondContact O-N 2.8Å
92G93.5Very high93.7Very high29 Ų2939.8 Ų39.830%0.29923%0.231SC..THydrogen-bonded Turntrans75.410.4-175.100000114.3L88 F89 H90 V94L88-G92 PolarHBondContact O-N 2.88Å; F89-G92 PolarHBondContact O-N 3.47Å; H90-G92 PolarHBondContact O-N 3.47Å; G92-V94 VanDerWaalsContact C-N 3.27Å; G92-V94 PolarHBondContact O-N 3.09Å
93A94.9Very high93.1Very high11 Ų1144 Ų449%0.09126%0.256CS..SBendtrans-70.5-26.1178.300000112.4L88 Q91 L120 V179L88-A93 HydrophobicContact CD2-CB 4.09Å; L88-A93 PolarHBondContact O-N 2.91Å; L88-A93 VanDerWaalsContact O-N 3.11Å; Q91-A93 PolarHBondContact O-N 2.8Å; A93-L120 VanDerWaalsContact O-CD1 3.31Å; A93-L120 WeakPolarHBondContact O-CD1 3.47Å; A93-V179 HydrophobicContact CB-CG1 4.3Å
94V94.6Very high92.2Very high0 Ų045.2 Ų45.20%027%0.27CS..  trans-142.8144.8178.71770000108.2F89 G92 S96 V97 A112 I122 V187F89-V94 HydrophobicContact CD1-CB 4.4Å; F89-V94 HydrophobicContact CD1-CG1 4.3Å; F89-V94 VanDerWaalsContact CD1-O 3.26Å; F89-V94 WeakPolarHBondContact CD1-O 3.37Å; F89-V94 HydrophobicContact CE1-CB 4.38Å; F89-V94 HydrophobicContact CE1-CG1 3.82Å; G92-V94 VanDerWaalsContact C-N 3.27Å; G92-V94 PolarHBondContact O-N 3.09Å; V94-S96 WeakPolarHBondContact CG1-O 3.31Å; V94-V97 HydrophobicContact CG1-CG2 4.36Å; V94-A112 HydrophobicContact CG1-CB 3.98Å; V94-I122 HydrophobicContact CG1-CD1 4.11Å; V94-I122 HydrophobicContact CG2-CD1 3.98Å; V94-I122 HydrophobicContact CG2-CG1 4.21Å; V94-V187 HydrophobicContact CG2-CB 4.28Å; V94-V187 HydrophobicContact CG2-CG1 3.56Å; V94-V187 HydrophobicContact CG2-CG2 3.66Å
95E94.1Very high91.3Very high95 Ų9553.4 Ų53.444%0.44431%0.306SS..SBendtrans-108.2-40.1171.5-175.858.7-151.300111.6F89 K113 K115F89-E95 VanDerWaalsContact CE1-O 3.3Å; F89-E95 WeakPolarHBondContact CE1-O 3.19Å; E95-K113 PolarHBondContact N-O 3.01Å; E95-K115 HydrophobicContact CB-CG 4.01Å; E95-K115 HydrophobicContact CG-CG 4.21Å; E95-K115 VanDerWaalsContact OE2-CE 3.25Å; E95-K115 WeakPolarHBondContact OE2-CE 3.31Å; E95-K115 VanDerWaalsContact OE2-CG 3.28Å; E95-K115 WeakPolarHBondContact OE2-CG 3.45Å
96S93.6Very high90.8Very high35 Ų3556.4 Ų56.425%0.24532%0.319CS..EExtended strand (participates in β ladder)trans-139.9155.4178.774.30000112.9V94 A112 K113V94-S96 WeakPolarHBondContact CG1-O 3.31Å; S96-A112 CarbonylContact O-C 3.56Å; S96-A112 WeakPolarHBondContact O-CA 3.4Å; S96-A112 VanDerWaalsContact O-CB 3.25Å; S96-A112 WeakPolarHBondContact O-CB 3.5Å; S96-K113 PolarHBondContact N-O 3.41Å; S96-K113 PolarHBondContact O-N 3.46Å
97V94.2Very high90.6Very high16 Ų1655.5 Ų55.510%0.09732%0.316CS..EExtended strand (participates in β ladder)trans-117.1125.1177.2-179.70000107.4M4 V6 L85 F89 V94 Y110 I122M4-V97 HydrophobicContact CE-CG1 4.41Å; V6-V97 HydrophobicContact CG1-CB 4Å; V6-V97 HydrophobicContact CG1-CG1 4.34Å; V6-V97 HydrophobicContact CG2-CG1 3.96Å; L85-V97 HydrophobicContact CD1-CG2 4.31Å; L85-V97 HydrophobicContact CD2-CG2 4.08Å; F89-V97 HydrophobicContact CE1-CG2 4.38Å; F89-V97 HydrophobicContact CZ-CG2 3.84Å; V94-V97 HydrophobicContact CG1-CG2 4.36Å; V97-Y110 HydrophobicContact CG1-CD1 4.15Å; V97-Y110 HydrophobicContact CG1-CG 4.49Å; V97-I122 HydrophobicContact CG2-CD1 3.69Å
98G92.5Very high90.5Very high37 Ų3754.8 Ų54.838%0.38131%0.31SS..EExtended strand (participates in β ladder)trans-96-149.8-179.400000113.2L111G98-L111 WeakPolarHBondContact CA-O 3.32Å; G98-L111 PolarHBondContact N-O 2.9Å
99S91.9Very high90.5Very high74 Ų7456.5 Ų56.552%0.51732%0.319SS..EExtended strand (participates in β ladder)trans-72.3156.4179.249.60000112Y110 L111S99-Y110 WeakPolarHBondContact O-CA 3.45Å; S99-L111 PolarHBondContact O-N 2.92Å
100M91.8Very high90.6Very high47 Ų4754.4 Ų54.423%0.23231%0.309CS..EExtended strand (participates in β ladder)trans-76.1129.2167.8-177.6-169.2-7800108.9T103 D108 I109 Y110M100-T103 PolarHBondContact SD-OG1 3.1Å; M100-D108 HydrophobicContact CE-CB 4.32Å; M100-I109 CarbonylContact C-O 3.6Å; M100-I109 WeakPolarHBondContact CA-O 3.47Å; M100-I109 WeakPolarHBondContact CG-O 3.23Å; M100-Y110 HydrophobicContact CB-CD1 4Å; M100-Y110 HydrophobicContact CB-CE1 3.76Å; M100-Y110 HydrophobicContact CB-CE2 4.43Å; M100-Y110 HydrophobicContact CB-CG 4.44Å; M100-Y110 HydrophobicContact CE-CE1 4.25Å; M100-Y110 HydrophobicContact CE-CE2 3.68Å; M100-Y110 WeakPolarHBondContact CE-OH 3.43Å; M100-Y110 HydrophobicContact CG-CE1 4.46Å; M100-Y110 HydrophobicContact CG-CE2 4.28Å
101I91.8Very high90.7Very high86 Ų8649.3 Ų49.344%0.44129%0.287SS..EExtended strand (participates in β ladder)trans-110.3-16.517957.3168.4000113.1I109 L111 V121 Y190I101-I109 HydrophobicContact CD1-CG2 3.88Å; I101-I109 HydrophobicContact CG1-CB 4.14Å; I101-I109 HydrophobicContact CG1-CG2 3.68Å; I101-I109 PolarHBondContact N-O 3.22Å; I101-L111 HydrophobicContact CD1-CD2 4.01Å; I101-L111 HydrophobicContact CD1-CG 4.21Å; I101-L111 HydrophobicContact CG1-CG 4.48Å; I101-L111 HydrophobicContact CG2-CD1 3.62Å; I101-L111 HydrophobicContact CG2-CD2 4.33Å; I101-L111 HydrophobicContact CG2-CG 3.57Å; I101-V121 HydrophobicContact CD1-CG2 4.24Å; I101-Y190 HydrophobicContact CD1-CD2 4.41Å; I101-Y190 HydrophobicContact CD1-CE2 4.17Å
102G86.4Confident90.8Very high23 Ų2343.7 Ų43.724%0.23726%0.261CS..EExtended strand (participates in β ladder)trans-147.6138.6178.600000112.2I109G102-I109 PolarHBondContact N-O 3.3Å; G102-I109 PolarHBondContact O-N 2.77Å
103T83.1Confident91Very high88 Ų8845.8 Ų45.854%0.5426%0.262SS..EExtended strand (participates in β ladder)trans-127.6111.8168-590000108.6M100M100-T103 PolarHBondContact SD-OG1 3.1Å
104G76.3Confident91Very high29 Ų2945.9 Ų45.930%0.29926%0.262SS..  trans-99.7178.1175.100000113E106 S107G104-E106 PolarHBondContact O-N 3.34Å; G104-S107 WeakPolarHBondContact CA-O 3.43Å; G104-S107 PolarHBondContact N-O 3.34Å
105K77.6Confident91Very high173 Ų17352.4 Ų52.475%0.75229%0.29SS*.SBendtrans-63.7-31.5170.5-70177.5-177.5167.30111.8
106E84.3Confident91Very high63 Ų6355.1 Ų55.129%0.29430%0.303SS..SBendtrans-128.54.2-171-55.4-164.9151.400113.4G104 R126G104-E106 PolarHBondContact O-N 3.34Å; E106-R126 WeakPolarHBondContact O-CA 3.25Å; E106-R126 PolarHBondContact O-N 2.88Å
107S90.9Very high91.1Very high19 Ų1959 Ų5913%0.13332%0.317CS..EExtended strand (participates in β ladder)trans-150.3153.7-178.457.30000112.9G104 F124G104-S107 WeakPolarHBondContact CA-O 3.43Å; G104-S107 PolarHBondContact N-O 3.34Å; S107-F124 CarbonylContact C-O 3.57Å; S107-F124 WeakPolarHBondContact CA-O 3.31Å
108D93Very high91.1Very high5 Ų563.6 Ų63.63%0.02734%0.338CS..EExtended strand (participates in β ladder)trans-118.1138.1160.2-56-47.3000108.7M100 Y110 K123 F124 R126 R129M100-D108 HydrophobicContact CE-CB 4.32Å; D108-Y110 HydrophobicContact CB-CD2 4.24Å; D108-Y110 HydrophobicContact CB-CE2 3.76Å; D108-K123 WeakPolarHBondContact O-CA 3.45Å; D108-F124 HydrophobicContact CB-CB 4.31Å; D108-F124 PolarHBondContact N-O 3.44Å; D108-F124 PolarHBondContact O-N 3.46Å; D108-R126 IonicContact OD2-CZ 2.76Å; D108-R126 IonicContact OD2-NE 3.29Å; D108-R126 PolarHBondContact OD2-NE 2.82Å; D108-R126 IonicContact OD2-NH2 3.84Å; D108-R126 PolarHBondContact OD2-NH2 3.16Å; D108-R129 IonicContact OD1-CZ 3.86Å; D108-R129 IonicContact OD1-NH1 3.31Å; D108-R129 PolarHBondContact OD1-NH1 2.99Å; D108-R129 IonicContact OD1-NH2 2.67Å; D108-R129 PolarHBondContact OD1-NH2 2.83Å; D108-R129 IonicContact OD2-CZ 3.38Å; D108-R129 IonicContact OD2-NH1 3.23Å; D108-R129 IonicContact OD2-NH2 3.83Å; D108-R129 PolarHBondContact OD2-NH2 2.91Å
109I94.5Very high91.4Very high36 Ų3667 Ų6719%0.18534%0.344CS..EExtended strand (participates in β ladder)trans-116.7123.3-177-47.4-59.5000108.7M100 I101 G102 V121 K123M100-I109 CarbonylContact C-O 3.6Å; M100-I109 WeakPolarHBondContact CA-O 3.47Å; M100-I109 WeakPolarHBondContact CG-O 3.23Å; I101-I109 HydrophobicContact CD1-CG2 3.88Å; I101-I109 HydrophobicContact CG1-CB 4.14Å; I101-I109 HydrophobicContact CG1-CG2 3.68Å; I101-I109 PolarHBondContact N-O 3.22Å; G102-I109 PolarHBondContact N-O 3.3Å; G102-I109 PolarHBondContact O-N 2.77Å; I109-V121 HydrophobicContact CG2-CG1 3.36Å; I109-K123 HydrophobicContact CD1-CB 3.83Å; I109-K123 HydrophobicContact CD1-CD 4.09Å; I109-K123 HydrophobicContact CD1-CG 3.58Å
110Y95.7Very high91.7Very high8 Ų863.8 Ų63.83%0.03132%0.321CS..EExtended strand (participates in β ladder)trans-121.3141.6179.8-75.7-101.8000110.6M4 V97 S99 M100 D108 V121 I122 F124M4-Y110 VanDerWaalsContact CB-OH 3.26Å; M4-Y110 WeakPolarHBondContact CB-OH 3.18Å; M4-Y110 HydrophobicContact CE-CD1 4.2Å; M4-Y110 HydrophobicContact CE-CD2 4.47Å; M4-Y110 HydrophobicContact CE-CE1 3.83Å; M4-Y110 HydrophobicContact CE-CE2 4.11Å; V97-Y110 HydrophobicContact CG1-CD1 4.15Å; V97-Y110 HydrophobicContact CG1-CG 4.49Å; S99-Y110 WeakPolarHBondContact O-CA 3.45Å; M100-Y110 HydrophobicContact CB-CD1 4Å; M100-Y110 HydrophobicContact CB-CE1 3.76Å; M100-Y110 HydrophobicContact CB-CE2 4.43Å; M100-Y110 HydrophobicContact CB-CG 4.44Å; M100-Y110 HydrophobicContact CE-CE1 4.25Å; M100-Y110 HydrophobicContact CE-CE2 3.68Å; M100-Y110 WeakPolarHBondContact CE-OH 3.43Å; M100-Y110 HydrophobicContact CG-CE1 4.46Å; M100-Y110 HydrophobicContact CG-CE2 4.28Å; D108-Y110 HydrophobicContact CB-CD2 4.24Å; D108-Y110 HydrophobicContact CB-CE2 3.76Å; Y110-V121 CarbonylContact O-C 3.52Å; Y110-V121 WeakPolarHBondContact O-CA 3.5Å; Y110-I122 PolarHBondContact N-O 3.28Å; Y110-I122 PolarHBondContact O-N 3.21Å; Y110-F124 AromaticContact CD2-CD2 3.64Å; Y110-F124 HydrophobicContact CD2-CD2 3.64Å; Y110-F124 AromaticContact CD2-CE2 3.55Å; Y110-F124 HydrophobicContact CD2-CE2 3.55Å; Y110-F124 AromaticContact CE2-CD2 3.96Å; Y110-F124 HydrophobicContact CE2-CD2 3.96Å; Y110-F124 AromaticContact CE2-CE2 3.99Å; Y110-F124 HydrophobicContact CE2-CE2 3.99Å; Y110-F124 HydrophobicContact CG-CE2 4.17Å
111L96.3Very high91.9Very high41 Ų4162.2 Ų62.222%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-66.7150.7163.2-72.2170.5000110.1G98 S99 I101 L120 Y190G98-L111 WeakPolarHBondContact CA-O 3.32Å; G98-L111 PolarHBondContact N-O 2.9Å; S99-L111 PolarHBondContact O-N 2.92Å; I101-L111 HydrophobicContact CD1-CD2 4.01Å; I101-L111 HydrophobicContact CD1-CG 4.21Å; I101-L111 HydrophobicContact CG1-CG 4.48Å; I101-L111 HydrophobicContact CG2-CD1 3.62Å; I101-L111 HydrophobicContact CG2-CD2 4.33Å; I101-L111 HydrophobicContact CG2-CG 3.57Å; L111-L120 CarbonylContact C-O 3.53Å; L111-Y190 HydrophobicContact CD2-CD2 3.56Å; L111-Y190 HydrophobicContact CD2-CE2 3.75Å; L111-Y190 HydrophobicContact CD2-CG 4.19Å
112A96Very high92.2Very high3 Ų358.1 Ų58.13%0.02529%0.293CS..EExtended strand (participates in β ladder)trans-151.2170.1176.200000110V94 S96 L120 I122V94-A112 HydrophobicContact CG1-CB 3.98Å; S96-A112 CarbonylContact O-C 3.56Å; S96-A112 WeakPolarHBondContact O-CA 3.4Å; S96-A112 VanDerWaalsContact O-CB 3.25Å; S96-A112 WeakPolarHBondContact O-CB 3.5Å; A112-L120 HydrophobicContact CB-CB 4.04Å; A112-L120 PolarHBondContact N-O 3.33Å; A112-L120 PolarHBondContact O-N 3.16Å; A112-I122 HydrophobicContact CB-CD1 3.7Å; A112-I122 HydrophobicContact CB-CG1 3.66Å
113K96.9Very high92.6Very high72 Ų7257.7 Ų57.731%0.31328%0.284SS..EExtended strand (participates in β ladder)trans-132.4146.8172.3-67.4-173.5161.8-166.60111.7E95 S96 E117 Q118E95-K113 PolarHBondContact N-O 3.01Å; S96-K113 PolarHBondContact N-O 3.41Å; S96-K113 PolarHBondContact O-N 3.46Å; K113-E117 VanDerWaalsContact CD-OE2 3.27Å; K113-E117 WeakPolarHBondContact CD-OE2 3.47Å; K113-E117 IonicContact NZ-OE2 3.94Å; K113-E117 PolarHBondContact NZ-OE2 3.31Å; K113-Q118 VanDerWaalsContact CA-O 3.27Å; K113-Q118 WeakPolarHBondContact CA-O 3.42Å
114S95.9Very high93.2Very high13 Ų1353.5 Ų53.59%0.09126%0.258CS..  trans-76.1175.1166.884.30000110.9E116 E117 Q118S114-E116 PolarHBondContact O-N 3.41Å; S114-E116 PolarHBondContact OG-N 3.44Å; S114-E116 VanDerWaalsContact OG-N 3.09Å; S114-E117 PolarHBondContact O-N 3.38Å; S114-Q118 PolarHBondContact N-O 3.35Å; S114-Q118 WeakPolarHBondContact OG-CB 3.46Å; S114-Q118 PolarHBondContact OG-N 3.24Å
115K93.4Very high94.1Very high137 Ų13752.3 Ų52.360%0.59625%0.246SC*.THydrogen-bonded Turntrans-64.3-23.3171.7-73.3-177.8178.1-179.60113.3E95 E117E95-K115 HydrophobicContact CB-CG 4.01Å; E95-K115 HydrophobicContact CG-CG 4.21Å; E95-K115 VanDerWaalsContact OE2-CE 3.25Å; E95-K115 WeakPolarHBondContact OE2-CE 3.31Å; E95-K115 VanDerWaalsContact OE2-CG 3.28Å; E95-K115 WeakPolarHBondContact OE2-CG 3.45Å; K115-E117 VanDerWaalsContact C-N 3.26Å
116E95.3Very high94.7Very high152 Ų15244.3 Ų44.371%0.7121%0.211SC*.THydrogen-bonded Turntrans-93.917.5179.3-61.7176.9-175.800111.4S114 Q118S114-E116 PolarHBondContact O-N 3.41Å; S114-E116 PolarHBondContact OG-N 3.44Å; S114-E116 VanDerWaalsContact OG-N 3.09Å; E116-Q118 HydrophobicContact CB-CG 4.45Å; E116-Q118 PolarHBondContact O-N 2.93Å; E116-Q118 VanDerWaalsContact O-N 3.1Å
117E94.6Very high94.7Very high116 Ų11641.8 Ų41.854%0.54220%0.199SC..  trans61.113.2-179-65.8-67.6131.300115.2K113 S114 K115K113-E117 VanDerWaalsContact CD-OE2 3.27Å; K113-E117 WeakPolarHBondContact CD-OE2 3.47Å; K113-E117 IonicContact NZ-OE2 3.94Å; K113-E117 PolarHBondContact NZ-OE2 3.31Å; S114-E117 PolarHBondContact O-N 3.38Å; K115-E117 VanDerWaalsContact C-N 3.26Å
118Q95.9Very high94Very high113 Ų11342.1 Ų42.153%0.52821%0.205SC..  trans-65.7136.9171.9-63173.1-38.200110.2K113 S114 E116K113-Q118 VanDerWaalsContact CA-O 3.27Å; K113-Q118 WeakPolarHBondContact CA-O 3.42Å; S114-Q118 PolarHBondContact N-O 3.35Å; S114-Q118 WeakPolarHBondContact OG-CB 3.46Å; S114-Q118 PolarHBondContact OG-N 3.24Å; E116-Q118 HydrophobicContact CB-CG 4.45Å; E116-Q118 PolarHBondContact O-N 2.93Å; E116-Q118 VanDerWaalsContact O-N 3.1Å
119E97.6Very high93Very high110 Ų11046.5 Ų46.551%0.51422%0.221SC..EExtended strand (participates in β ladder)trans-75130.4177-62.6-167.4134.100110.9Y190E119-Y190 HydrophobicContact CB-CD1 4.1Å; E119-Y190 HydrophobicContact CB-CG 4.27Å; E119-Y190 WeakPolarHBondContact O-CB 3.36Å; E119-Y190 PolarHBondContact O-N 3.32Å
120L98.1Very high91.3Very high6 Ų646.8 Ų46.83%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-129.5163.3-176.9-62.4179.8000110.4A93 L111 A112 V179 V187 M188A93-L120 VanDerWaalsContact O-CD1 3.31Å; A93-L120 WeakPolarHBondContact O-CD1 3.47Å; L111-L120 CarbonylContact C-O 3.53Å; A112-L120 HydrophobicContact CB-CB 4.04Å; A112-L120 PolarHBondContact N-O 3.33Å; A112-L120 PolarHBondContact O-N 3.16Å; L120-V179 HydrophobicContact CD1-CG1 4.38Å; L120-V179 HydrophobicContact CD2-CG2 3.83Å; L120-V187 HydrophobicContact CB-CG1 4.34Å; L120-V187 HydrophobicContact CD1-CG1 3.91Å; L120-M188 CarbonylContact C-O 3.58Å; L120-M188 WeakPolarHBondContact CA-O 3.44Å
121V97.3Very high89.1Confident14 Ų1451.8 Ų51.89%0.08526%0.263CS..EExtended strand (participates in β ladder)trans-117.2136.8170168.40000110.1I101 I109 Y110 V187 M188 Y190I101-V121 HydrophobicContact CD1-CG2 4.24Å; I109-V121 HydrophobicContact CG2-CG1 3.36Å; Y110-V121 CarbonylContact O-C 3.52Å; Y110-V121 WeakPolarHBondContact O-CA 3.5Å; V121-V187 VanDerWaalsContact O-CA 3.31Å; V121-V187 WeakPolarHBondContact O-CA 3.27Å; V121-M188 HydrophobicContact CB-CG 4.03Å; V121-M188 HydrophobicContact CG1-CG 4.34Å; V121-M188 PolarHBondContact N-O 2.96Å; V121-M188 PolarHBondContact O-N 3.31Å; V121-Y190 HydrophobicContact CG2-CD2 3.69Å; V121-Y190 HydrophobicContact CG2-CG 4.36Å
122I97Very high86.5Confident0 Ų059 Ų590%029%0.293CS..EExtended strand (participates in β ladder)trans-108.4115.6166-53174.9000109L85 V94 V97 Y110 A112 F124 C185 I186 V187L85-I122 HydrophobicContact CD2-CD1 3.78Å; V94-I122 HydrophobicContact CG1-CD1 4.11Å; V94-I122 HydrophobicContact CG2-CD1 3.98Å; V94-I122 HydrophobicContact CG2-CG1 4.21Å; V97-I122 HydrophobicContact CG2-CD1 3.69Å; Y110-I122 PolarHBondContact N-O 3.28Å; Y110-I122 PolarHBondContact O-N 3.21Å; A112-I122 HydrophobicContact CB-CD1 3.7Å; A112-I122 HydrophobicContact CB-CG1 3.66Å; I122-F124 HydrophobicContact CB-CE2 4.16Å; I122-F124 HydrophobicContact CG2-CD2 3.99Å; I122-F124 HydrophobicContact CG2-CE2 3.5Å; I122-F124 HydrophobicContact CG2-CZ 3.83Å; I122-C185 HydrophobicContact CG2-CB 4.37Å; I122-I186 CarbonylContact C-O 3.5Å; I122-I186 WeakPolarHBondContact CA-O 3.36Å; I122-V187 HydrophobicContact CG1-CG2 4.37Å
123K95.9Very high84.2Confident13 Ų1369.9 Ų69.96%0.05733%0.333CS..EExtended strand (participates in β ladder)trans-95.6116.5170.8180176.1-167.5-168.10109.9D108 I109 E161 C185 I186 M188 D246D108-K123 WeakPolarHBondContact O-CA 3.45Å; I109-K123 HydrophobicContact CD1-CB 3.83Å; I109-K123 HydrophobicContact CD1-CD 4.09Å; I109-K123 HydrophobicContact CD1-CG 3.58Å; K123-E161 WeakPolarHBondContact CD-OE1 3.45Å; K123-E161 IonicContact NZ-OE1 2.68Å; K123-E161 PolarHBondContact NZ-OE1 2.95Å; K123-E161 IonicContact NZ-OE2 2.72Å; K123-E161 PolarHBondContact NZ-OE2 2.68Å; K123-C185 CarbonylContact O-C 3.55Å; K123-C185 WeakPolarHBondContact O-CA 3.25Å; K123-I186 HydrophobicContact CB-CB 4.4Å; K123-I186 PolarHBondContact N-O 3.34Å; K123-I186 PolarHBondContact O-N 2.73Å; K123-M188 HydrophobicContact CB-CE 3.87Å; K123-M188 HydrophobicContact CD-CE 4.33Å; K123-D246 IonicContact NZ-OD1 2.85Å; K123-D246 PolarHBondContact NZ-OD1 3Å
124F95.2Very high81.8Confident0 Ų066.9 Ų66.90%032%0.32CS..EExtended strand (participates in β ladder)trans-93.1119.9169.4-65.6-96.7000109.6M4 D81 L85 S107 D108 Y110 I122 H184 C185M4-F124 HydrophobicContact CE-CE2 3.94Å; M4-F124 HydrophobicContact CE-CZ 3.72Å; M4-F124 HydrophobicContact SD-CE1 3.82Å; M4-F124 HydrophobicContact SD-CE2 4.12Å; M4-F124 HydrophobicContact SD-CZ 3.55Å; M4-F124 VanDerWaalsContact SD-CZ 3.55Å; D81-F124 HydrophobicContact CB-CD1 4.33Å; D81-F124 HydrophobicContact CB-CE1 3.85Å; D81-F124 VanDerWaalsContact OD1-CD1 3.31Å; D81-F124 WeakPolarHBondContact OD1-CD1 3.32Å; L85-F124 HydrophobicContact CD1-CZ 4.09Å; L85-F124 HydrophobicContact CD2-CE1 4.49Å; L85-F124 HydrophobicContact CD2-CZ 3.92Å; L85-F124 HydrophobicContact CG-CE1 4.29Å; L85-F124 HydrophobicContact CG-CZ 4.03Å; S107-F124 CarbonylContact C-O 3.57Å; S107-F124 WeakPolarHBondContact CA-O 3.31Å; D108-F124 HydrophobicContact CB-CB 4.31Å; D108-F124 PolarHBondContact N-O 3.44Å; D108-F124 PolarHBondContact O-N 3.46Å; Y110-F124 AromaticContact CD2-CD2 3.64Å; Y110-F124 HydrophobicContact CD2-CD2 3.64Å; Y110-F124 AromaticContact CD2-CE2 3.55Å; Y110-F124 HydrophobicContact CD2-CE2 3.55Å; Y110-F124 AromaticContact CE2-CD2 3.96Å; Y110-F124 HydrophobicContact CE2-CD2 3.96Å; Y110-F124 AromaticContact CE2-CE2 3.99Å; Y110-F124 HydrophobicContact CE2-CE2 3.99Å; Y110-F124 HydrophobicContact CG-CE2 4.17Å; I122-F124 HydrophobicContact CB-CE2 4.16Å; I122-F124 HydrophobicContact CG2-CD2 3.99Å; I122-F124 HydrophobicContact CG2-CE2 3.5Å; I122-F124 HydrophobicContact CG2-CZ 3.83Å; F124-H184 AromaticContact CD1-NE2 3.82Å; F124-C185 WeakPolarHBondContact CD1-SG 3.47Å; F124-C185 WeakPolarHBondContact CE1-SG 3.48Å
125T93.8Very high79.5Confident5 Ų573.3 Ų73.33%0.03135%0.353CS..EExtended strand (participates in β ladder)trans-80.4124.4175-490000111.4L127 S154 H184T125-L127 HydrophobicContact CG2-CG 4.1Å; T125-S154 WeakPolarHBondContact O-CB 3.31Å; T125-S154 PolarHBondContact O-OG 3.43Å; T125-H184 PolarHBondContact N-O 3.43Å; T125-H184 PolarHBondContact O-CD2 3.09Å; T125-H184 PolarHBondContact OG1-O 2.92Å
126R90.2Very high77.3Confident4 Ų476.7 Ų76.72%0.01536%0.362CS..  trans-120.951.4-170.8-56.2-62.1-165.1-168.20112.3D81 E106 D108 R129D81-R126 VanDerWaalsContact CG-NH1 3.31Å; D81-R126 VanDerWaalsContact CG-NH2 3.29Å; D81-R126 IonicContact OD1-CZ 3.15Å; D81-R126 VanDerWaalsContact OD1-CZ 3.31Å; D81-R126 IonicContact OD1-NH1 3.97Å; D81-R126 PolarHBondContact OD1-NH1 3.34Å; D81-R126 IonicContact OD1-NH2 2.84Å; D81-R126 PolarHBondContact OD1-NH2 3.49Å; D81-R126 IonicContact OD2-CZ 2.67Å; D81-R126 IonicContact OD2-NH1 3.95Å; D81-R126 PolarHBondContact OD2-NH1 3.06Å; D81-R126 VanDerWaalsContact OD2-NH1 3.15Å; D81-R126 IonicContact OD2-NH2 3.98Å; D81-R126 PolarHBondContact OD2-NH2 2.89Å; E106-R126 WeakPolarHBondContact O-CA 3.25Å; E106-R126 PolarHBondContact O-N 2.88Å; D108-R126 IonicContact OD2-CZ 2.76Å; D108-R126 IonicContact OD2-NE 3.29Å; D108-R126 PolarHBondContact OD2-NE 2.82Å; D108-R126 IonicContact OD2-NH2 3.84Å; D108-R126 PolarHBondContact OD2-NH2 3.16Å; R126-R129 HydrophobicContact CB-CB 4.46Å; R126-R129 WeakPolarHBondContact O-CB 3.39Å; R126-R129 PolarHBondContact O-N 2.82Å
127L85.6Confident75.1Confident11 Ų1172.5 Ų72.56%0.05834%0.344CS..THydrogen-bonded Turntrans-57.6148.1168.6-59.3-175.6000110F77 T125 W150 L153 S154F77-L127 WeakPolarHBondContact CZ-O 3.42Å; T125-L127 HydrophobicContact CG2-CG 4.1Å; L127-W150 HydrophobicContact CB-CE3 4.06Å; L127-L153 HydrophobicContact CD1-CB 3.82Å; L127-S154 PolarHBondContact N-OG 3.46Å; L127-S154 VanDerWaalsContact N-OG 3.14Å
128G74.9Confident72.9Confident25 Ų2569.7 Ų69.726%0.25833%0.33SS..THydrogen-bonded Turntrans86.8-5.3-175.200000115.5W150G128-W150 VanDerWaalsContact CA-CD2 3.5Å
129R73.3Confident70.6Confident97 Ų9774 Ų7437%0.36634%0.341SS..SBendtrans-73.3-34-178.4-170.7-178.1-82.9-169.4-5.4113D108 R126D108-R129 IonicContact OD1-CZ 3.86Å; D108-R129 IonicContact OD1-NH1 3.31Å; D108-R129 PolarHBondContact OD1-NH1 2.99Å; D108-R129 IonicContact OD1-NH2 2.67Å; D108-R129 PolarHBondContact OD1-NH2 2.83Å; D108-R129 IonicContact OD2-CZ 3.38Å; D108-R129 IonicContact OD2-NH1 3.23Å; D108-R129 IonicContact OD2-NH2 3.83Å; D108-R129 PolarHBondContact OD2-NH2 2.91Å; R126-R129 HydrophobicContact CB-CB 4.46Å; R126-R129 WeakPolarHBondContact O-CB 3.39Å; R126-R129 PolarHBondContact O-N 2.82Å
130S58.6Low68.4Low42 Ų4274.9 Ų74.929%0.29435%0.35SS..SBendtrans-106.7123.317656.30000110.7F132S130-F132 PolarHBondContact O-N 2.8Å
131S49.2Very low66Low114 Ų11479 Ų7980%0.79737%0.366SS*.SBendtrans-75.1-12.7-15840.30000116.8
132F42.1Very low63.6Low192 Ų19281.8 Ų81.884%0.84238%0.378SS*.SBendtrans-114.4-30.2-162.3-103.3-94.1000117.2S130S130-F132 PolarHBondContact O-N 2.8Å
133R47Very low61.3Low232 Ų23286.1 Ų86.188%0.87541%0.413SS*.SBendtrans-84.9-11.4-174.6-104.3178.7175.4-179.6-1.9114.9
134Q47.3Very low59Low8 Ų896.9 Ų96.94%0.03745%0.454CS..THydrogen-bonded Turntrans-102.85.2-157.6-58-176.2-17.600117R136 L137 K138 W150Q134-R136 PolarHBondContact O-N 3.19Å; Q134-L137 PolarHBondContact O-N 3.11Å; Q134-K138 PolarHBondContact O-N 2.88Å; Q134-W150 HydrophobicContact CB-CH2 3.31Å; Q134-W150 HydrophobicContact CB-CZ2 4.16Å; Q134-W150 HydrophobicContact CB-CZ3 3.83Å; Q134-W150 HydrophobicContact CG-CH2 4.31Å; Q134-W150 HydrophobicContact CG-CZ3 4.46Å; Q134-W150 VanDerWaalsContact OE1-CH2 3.26Å
135L46.7Very low56.9Low149 Ų149102.1 Ų102.178%0.7847%0.473SS*.Hα-helixtrans-59.6-27.8169.4-94.3154000112.3R139L135-R139 PolarHBondContact O-N 3.32Å
136R47.1Very low54.8Low207 Ų207107.8 Ų107.878%0.78151%0.513SS*.Hα-helixtrans-71.8-45.4179.8-136.2178.5-177.2-173.60.8112.8Q134 K138 R139 D140Q134-R136 PolarHBondContact O-N 3.19Å; R136-K138 VanDerWaalsContact C-N 3.32Å; R136-K138 PolarHBondContact O-N 3.34Å; R136-R139 VanDerWaalsContact O-CB 3.32Å; R136-R139 WeakPolarHBondContact O-CB 3.33Å; R136-R139 PolarHBondContact O-N 2.8Å; R136-D140 PolarHBondContact O-N 3.36Å
137L49.4Very low53.4Low64 Ų64110 Ų11034%0.33552%0.523SS..Hα-helixtrans-60.8-39175.7-89.1160.1000112.3Q134 R139 Y141Q134-L137 PolarHBondContact O-N 3.11Å; L137-R139 VanDerWaalsContact C-N 3.25Å; L137-R139 PolarHBondContact O-N 2.86Å; L137-Y141 HydrophobicContact CD2-CE2 4.39Å; L137-Y141 WeakPolarHBondContact O-CD2 3.25Å
138K48.5Very low52.5Low57 Ų57109.6 Ų109.625%0.24852%0.521CS..Hα-helixtrans-59.3-39.3173.8-106.1-172.1177.6-171.10111.6Q134 R136 Y141 H142 I148 W150 L153Q134-K138 PolarHBondContact O-N 2.88Å; R136-K138 VanDerWaalsContact C-N 3.32Å; R136-K138 PolarHBondContact O-N 3.34Å; K138-Y141 PolarHBondContact O-N 3.12Å; K138-H142 VanDerWaalsContact C-CD2 3.44Å; K138-H142 WeakPolarHBondContact O-CB 3.21Å; K138-H142 PolarHBondContact O-CD2 3.28Å; K138-H142 PolarHBondContact O-N 2.94Å; K138-I148 VanDerWaalsContact CE-O 3.31Å; K138-I148 WeakPolarHBondContact CE-O 3.26Å; K138-W150 HydrophobicContact CG-CH2 4.37Å; K138-L153 HydrophobicContact CG-CD1 4.37Å
139R49.1Very low52.8Low203 Ų203109.6 Ų109.677%0.76652%0.517SS*.Hα-helixtrans-63.6-45-177-108.1-179172.1-178.1-2.5113.2L135 R136 L137 Y141 H142L135-R139 PolarHBondContact O-N 3.32Å; R136-R139 VanDerWaalsContact O-CB 3.32Å; R136-R139 WeakPolarHBondContact O-CB 3.33Å; R136-R139 PolarHBondContact O-N 2.8Å; L137-R139 VanDerWaalsContact C-N 3.25Å; L137-R139 PolarHBondContact O-N 2.86Å; R139-Y141 VanDerWaalsContact C-N 3.29Å; R139-Y141 PolarHBondContact O-N 3.48Å; R139-H142 PolarHBondContact O-N 3.05Å
140D50.8Low53.4Low130 Ų130108.2 Ų108.270%0.69551%0.512SS*.Hα-helixtrans-66-32.9-178.5-66-22.9000112.3R136R136-D140 PolarHBondContact O-N 3.36Å
141Y46.8Very low54.9Low93 Ų93106.9 Ų106.937%0.36550%0.501SS..Hα-helixtrans-87-18.7175.7-72.3-84.5000113.9L137 K138 R139 A143 I148 L153 I156L137-Y141 HydrophobicContact CD2-CE2 4.39Å; L137-Y141 WeakPolarHBondContact O-CD2 3.25Å; K138-Y141 PolarHBondContact O-N 3.12Å; R139-Y141 VanDerWaalsContact C-N 3.29Å; R139-Y141 PolarHBondContact O-N 3.48Å; Y141-A143 PolarHBondContact O-N 3.23Å; Y141-I148 WeakPolarHBondContact O-CD1 3.36Å; Y141-L153 HydrophobicContact CD1-CD2 4.21Å; Y141-L153 HydrophobicContact CD2-CD2 3.43Å; Y141-L153 VanDerWaalsContact CD2-CD2 3.43Å; Y141-L153 HydrophobicContact CE2-CD2 3.88Å; Y141-L153 HydrophobicContact CG-CD2 3.61Å; Y141-I156 HydrophobicContact CD1-CD1 4.04Å; Y141-I156 HydrophobicContact CE1-CD1 3.66Å; Y141-I156 HydrophobicContact CE1-CG2 4.17Å; Y141-I156 WeakPolarHBondContact OH-CG2 3.48Å
142H47.1Very low56.9Low72 Ų72105.4 Ų105.433%0.33348%0.479SS..G310 helixtrans-69.2-13.8-174.5-100.7-55.9000114.7K138 R139 R144 R145K138-H142 VanDerWaalsContact C-CD2 3.44Å; K138-H142 WeakPolarHBondContact O-CB 3.21Å; K138-H142 PolarHBondContact O-CD2 3.28Å; K138-H142 PolarHBondContact O-N 2.94Å; R139-H142 PolarHBondContact O-N 3.05Å; H142-R144 PolarHBondContact O-N 2.99Å; H142-R145 PolarHBondContact ND1-O 2.98Å; H142-R145 PolarHBondContact O-N 2.78Å
143A48.7Very low59.1Low90 Ų9096.4 Ų96.474%0.74444%0.44SS*.G310 helixtrans-55.9-11.1-172.600000115Y141Y141-A143 PolarHBondContact O-N 3.23Å
144R47.5Very low61.2Low240 Ų24085.4 Ų85.491%0.90640%0.398SS*.G310 helixtrans-139.64-179.9-58-174.7-173.3-178.62.2117H142H142-R144 PolarHBondContact O-N 2.99Å
145R50.4Low63.5Low110 Ų11090.3 Ų90.342%0.41542%0.416SS..  trans-138.1135.5-176.1-71.6-170174.8167.81.9114H142 H147 I148 Y152H142-R145 PolarHBondContact ND1-O 2.98Å; H142-R145 PolarHBondContact O-N 2.78Å; R145-H147 VanDerWaalsContact C-N 3.29Å; R145-H147 PolarHBondContact O-N 2.73Å; R145-I148 HydrophobicContact CB-CD1 4.45Å; R145-I148 HydrophobicContact CB-CG1 4.09Å; R145-Y152 VanDerWaalsContact NH1-CZ 3.29Å; R145-Y152 PolarHBondContact NH1-OH 2.84Å
146S51.3Low65.6Low123 Ų12385.1 Ų85.186%0.8639%0.389SS*.SBendtrans-67.1-26178.656.60000113.5
147H60.3Low67.7Low50 Ų5076.3 Ų76.323%0.23136%0.359CS..  trans-143.7133.1176176.8-95.9000110.8E31 R145E31-H147 HydrophobicContact CB-CB 4.49Å; E31-H147 WeakPolarHBondContact CG-NE2 3.16Å; E31-H147 IonicContact OE1-CD2 3.79Å; E31-H147 IonicContact OE1-NE2 2.68Å; E31-H147 IonicContact OE2-CD2 2.7Å; R145-H147 VanDerWaalsContact C-N 3.29Å; R145-H147 PolarHBondContact O-N 2.73Å
148I65.9Low69.8Low4 Ų473.2 Ų73.22%0.02134%0.343CS..  trans-125.6112.8174.2-64.6-177.6000108.4K138 Y141 R145 Y152 L153K138-I148 VanDerWaalsContact CE-O 3.31Å; K138-I148 WeakPolarHBondContact CE-O 3.26Å; Y141-I148 WeakPolarHBondContact O-CD1 3.36Å; R145-I148 HydrophobicContact CB-CD1 4.45Å; R145-I148 HydrophobicContact CB-CG1 4.09Å; I148-Y152 HydrophobicContact CG2-CD1 4.16Å; I148-L153 HydrophobicContact CG2-CD1 3.85Å; I148-L153 HydrophobicContact CG2-CD2 3.81Å; I148-L153 HydrophobicContact CG2-CG 3.58Å
149S81.5Confident72Confident24 Ų2472.8 Ų72.817%0.16835%0.35CS..  trans-75.3143175.2175.40000110.6L151 Y152 L153S149-L151 PolarHBondContact O-N 3.39Å; S149-L151 WeakPolarHBondContact OG-CB 3.27Å; S149-L151 PolarHBondContact OG-N 3.21Å; S149-L151 VanDerWaalsContact OG-N 3.14Å; S149-Y152 WeakPolarHBondContact O-CB 3.25Å; S149-Y152 PolarHBondContact O-N 3.07Å; S149-L153 PolarHBondContact O-N 3.26Å
150W85.4Confident74Confident69 Ų6967.2 Ų67.226%0.26133%0.331SS..Hα-helixtrans-55.3-32168.5-68.2120.8000112.5F77 L127 G128 Q134 K138 Y152 L153 S154F77-W150 HydrophobicContact CZ-CB 4.11Å; L127-W150 HydrophobicContact CB-CE3 4.06Å; G128-W150 VanDerWaalsContact CA-CD2 3.5Å; Q134-W150 HydrophobicContact CB-CH2 3.31Å; Q134-W150 HydrophobicContact CB-CZ2 4.16Å; Q134-W150 HydrophobicContact CB-CZ3 3.83Å; Q134-W150 HydrophobicContact CG-CH2 4.31Å; Q134-W150 HydrophobicContact CG-CZ3 4.46Å; Q134-W150 VanDerWaalsContact OE1-CH2 3.26Å; K138-W150 HydrophobicContact CG-CH2 4.37Å; W150-Y152 VanDerWaalsContact C-N 3.29Å; W150-Y152 PolarHBondContact O-N 3.45Å; W150-L153 HydrophobicContact CE3-CD1 3.75Å; W150-L153 HydrophobicContact CZ3-CD1 3.66Å; W150-L153 PolarHBondContact O-N 2.98Å; W150-S154 WeakPolarHBondContact O-CB 3.27Å; W150-S154 PolarHBondContact O-N 3.14Å; W150-S154 PolarHBondContact O-OG 3.4Å
151L91.2Very high76Confident13 Ų1361.1 Ų61.17%0.06830%0.299CS..Hα-helixtrans-61.3-39.1174.8-57.2-179.5000111.8M27 L75 F77 Y80 S149 R155M27-L151 HydrophobicContact CE-CD1 4.26Å; L75-L151 HydrophobicContact CB-CD1 3.67Å; F77-L151 HydrophobicContact CD1-CD2 3.44Å; F77-L151 VanDerWaalsContact CD1-CD2 3.44Å; F77-L151 HydrophobicContact CE1-CD2 3.49Å; F77-L151 VanDerWaalsContact CE1-CD2 3.49Å; F77-L151 HydrophobicContact CG-CD2 3.99Å; F77-L151 HydrophobicContact CZ-CD2 4.04Å; Y80-L151 HydrophobicContact CD1-CB 3.92Å; Y80-L151 HydrophobicContact CD1-CD1 4.46Å; Y80-L151 HydrophobicContact CD1-CD2 3.75Å; Y80-L151 HydrophobicContact CD1-CG 4.25Å; Y80-L151 HydrophobicContact CD2-CD1 4.15Å; Y80-L151 HydrophobicContact CE1-CB 3.92Å; Y80-L151 HydrophobicContact CG-CB 4.3Å; Y80-L151 HydrophobicContact CG-CD1 4.04Å; Y80-L151 HydrophobicContact CG-CD2 3.94Å; Y80-L151 HydrophobicContact CG-CG 4.32Å; S149-L151 PolarHBondContact O-N 3.39Å; S149-L151 WeakPolarHBondContact OG-CB 3.27Å; S149-L151 PolarHBondContact OG-N 3.21Å; S149-L151 VanDerWaalsContact OG-N 3.14Å; L151-R155 WeakPolarHBondContact O-CB 3.22Å; L151-R155 PolarHBondContact O-N 3.37Å
152Y90.2Very high78.3Confident83 Ų8358 Ų5833%0.32529%0.287SS..Hα-helixtrans-70.2-42.2178.8178.1-108.9000111.5R145 I148 S149 W150 R155 I156R145-Y152 VanDerWaalsContact NH1-CZ 3.29Å; R145-Y152 PolarHBondContact NH1-OH 2.84Å; I148-Y152 HydrophobicContact CG2-CD1 4.16Å; S149-Y152 WeakPolarHBondContact O-CB 3.25Å; S149-Y152 PolarHBondContact O-N 3.07Å; W150-Y152 VanDerWaalsContact C-N 3.29Å; W150-Y152 PolarHBondContact O-N 3.45Å; Y152-R155 WeakPolarHBondContact O-CB 3.36Å; Y152-R155 PolarHBondContact O-N 3.1Å; Y152-I156 HydrophobicContact CD1-CD1 3.8Å; Y152-I156 HydrophobicContact CE1-CD1 3.29Å; Y152-I156 HydrophobicContact CE1-CG1 4.38Å; Y152-I156 HydrophobicContact CE2-CD1 4.11Å; Y152-I156 HydrophobicContact CE2-CG1 4.41Å; Y152-I156 HydrophobicContact CG-CD1 4.43Å; Y152-I156 VanDerWaalsContact CZ-CD1 3.45Å; Y152-I156 PolarHBondContact O-N 3.4Å
153L88.5Confident80.5Confident4 Ų457.3 Ų57.32%0.02129%0.294CS..Hα-helixtrans-64.5-44.6175.2-66.9175.6000111.3L127 K138 Y141 I148 S149 W150 R155 I156 S157L127-L153 HydrophobicContact CD1-CB 3.82Å; K138-L153 HydrophobicContact CG-CD1 4.37Å; Y141-L153 HydrophobicContact CD1-CD2 4.21Å; Y141-L153 HydrophobicContact CD2-CD2 3.43Å; Y141-L153 VanDerWaalsContact CD2-CD2 3.43Å; Y141-L153 HydrophobicContact CE2-CD2 3.88Å; Y141-L153 HydrophobicContact CG-CD2 3.61Å; I148-L153 HydrophobicContact CG2-CD1 3.85Å; I148-L153 HydrophobicContact CG2-CD2 3.81Å; I148-L153 HydrophobicContact CG2-CG 3.58Å; S149-L153 PolarHBondContact O-N 3.26Å; W150-L153 HydrophobicContact CE3-CD1 3.75Å; W150-L153 HydrophobicContact CZ3-CD1 3.66Å; W150-L153 PolarHBondContact O-N 2.98Å; L153-R155 PolarHBondContact O-N 3.22Å; L153-I156 PolarHBondContact O-N 3.14Å; L153-I156 VanDerWaalsContact O-N 3.16Å; L153-S157 WeakPolarHBondContact O-CB 3.28Å; L153-S157 PolarHBondContact O-N 3.39Å
154S91.9Very high82.6Confident0 Ų055 Ų550%027%0.268CS..Hα-helixtrans-57.6-39.1174.7-75.10000111.6T125 L127 W150 S157 A158T125-S154 WeakPolarHBondContact O-CB 3.31Å; T125-S154 PolarHBondContact O-OG 3.43Å; L127-S154 PolarHBondContact N-OG 3.46Å; L127-S154 VanDerWaalsContact N-OG 3.14Å; W150-S154 WeakPolarHBondContact O-CB 3.27Å; W150-S154 PolarHBondContact O-N 3.14Å; W150-S154 PolarHBondContact O-OG 3.4Å; S154-S157 PolarHBondContact O-N 2.99Å; S154-A158 WeakPolarHBondContact O-CB 3.47Å; S154-A158 PolarHBondContact O-N 2.72Å
155R94.5Very high84.9Confident112 Ų11243.7 Ų43.742%0.42323%0.225SC..Hα-helixtrans-62.9-45.3175.4169.4175.8-179.9145.94.9112.7E24 Y80 L151 Y152 L153 S157 A159 R183E24-R155 IonicContact OE1-NH1 2.6Å; Y80-R155 WeakPolarHBondContact OH-CD 3.42Å; L151-R155 WeakPolarHBondContact O-CB 3.22Å; L151-R155 PolarHBondContact O-N 3.37Å; Y152-R155 WeakPolarHBondContact O-CB 3.36Å; Y152-R155 PolarHBondContact O-N 3.1Å; L153-R155 PolarHBondContact O-N 3.22Å; R155-S157 VanDerWaalsContact C-N 3.34Å; R155-A159 WeakPolarHBondContact O-CB 3.4Å; R155-A159 PolarHBondContact O-N 3.27Å; R155-R183 VanDerWaalsContact CA-O 3.31Å; R155-R183 WeakPolarHBondContact CA-O 3.41Å
156I91.6Very high87Confident39 Ų3941.5 Ų41.520%0.222%0.22CC..Hα-helixtrans-64.4-44.1178.4-66.6162.4000110.3Y141 Y152 L153 A158 A159 K160Y141-I156 HydrophobicContact CD1-CD1 4.04Å; Y141-I156 HydrophobicContact CE1-CD1 3.66Å; Y141-I156 HydrophobicContact CE1-CG2 4.17Å; Y141-I156 WeakPolarHBondContact OH-CG2 3.48Å; Y152-I156 HydrophobicContact CD1-CD1 3.8Å; Y152-I156 HydrophobicContact CE1-CD1 3.29Å; Y152-I156 HydrophobicContact CE1-CG1 4.38Å; Y152-I156 HydrophobicContact CE2-CD1 4.11Å; Y152-I156 HydrophobicContact CE2-CG1 4.41Å; Y152-I156 HydrophobicContact CG-CD1 4.43Å; Y152-I156 VanDerWaalsContact CZ-CD1 3.45Å; Y152-I156 PolarHBondContact O-N 3.4Å; L153-I156 PolarHBondContact O-N 3.14Å; L153-I156 VanDerWaalsContact O-N 3.16Å; I156-A158 PolarHBondContact O-N 3.29Å; I156-A159 PolarHBondContact O-N 2.88Å; I156-K160 WeakPolarHBondContact O-CB 3.42Å; I156-K160 PolarHBondContact O-N 2.8Å
157S90.9Very high89Confident22 Ų2237.1 Ų37.115%0.15419%0.19CC..Hα-helixtrans-59.3-47.5178.2-170.30000111.8L153 S154 R155 A159 K160 E161L153-S157 WeakPolarHBondContact O-CB 3.28Å; L153-S157 PolarHBondContact O-N 3.39Å; S154-S157 PolarHBondContact O-N 2.99Å; R155-S157 VanDerWaalsContact C-N 3.34Å; S157-A159 PolarHBondContact O-N 3.44Å; S157-K160 PolarHBondContact O-N 3.29Å; S157-E161 WeakPolarHBondContact O-CB 3.16Å; S157-E161 PolarHBondContact O-N 3.26Å
158A94.3Very high90.7Very high0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-63.5-41.6178.800000112.5S154 I156 E161 H162 I186S154-A158 WeakPolarHBondContact O-CB 3.47Å; S154-A158 PolarHBondContact O-N 2.72Å; I156-A158 PolarHBondContact O-N 3.29Å; A158-E161 PolarHBondContact O-N 3.05Å; A158-H162 WeakPolarHBondContact O-CB 3.28Å; A158-H162 PolarHBondContact O-N 3.38Å; A158-I186 HydrophobicContact CB-CD1 4.26Å; A158-I186 HydrophobicContact CB-CG1 3.92Å; A158-I186 WeakPolarHBondContact O-CD1 3.48Å
159A94.5Very high92.2Very high48 Ų4837.8 Ų37.840%0.39719%0.193SC..Hα-helixtrans-63.9-41.3176.600000112.2R155 I156 S157 A163R155-A159 WeakPolarHBondContact O-CB 3.4Å; R155-A159 PolarHBondContact O-N 3.27Å; I156-A159 PolarHBondContact O-N 2.88Å; S157-A159 PolarHBondContact O-N 3.44Å; A159-A163 WeakPolarHBondContact O-CB 2.97Å; A159-A163 PolarHBondContact O-N 3.32Å
160K91.3Very high92.9Very high85 Ų8540.9 Ų40.937%0.3721%0.208SC..Hα-helixtrans-64.1-47.3176.1-178.4-176.8169.4-1590111.1I156 S157 A163 F164 P248 A250I156-K160 WeakPolarHBondContact O-CB 3.42Å; I156-K160 PolarHBondContact O-N 2.8Å; S157-K160 PolarHBondContact O-N 3.29Å; K160-A163 PolarHBondContact O-N 2.94Å; K160-F164 HydrophobicContact CD-CE2 4.27Å; K160-F164 HydrophobicContact CG-CD2 4.17Å; K160-F164 HydrophobicContact CG-CE2 4Å; K160-F164 PolarHBondContact O-N 2.9Å; K160-P248 PolarHBondContact NZ-O 3.36Å; K160-A250 PolarHBondContact NZ-O 3.4Å
161E92.8Very high93.4Very high3 Ų343.8 Ų43.81%0.01422%0.219CC..Hα-helixtrans-62.4-46.4179.9-175.6-177.7164.600111.8K123 S157 A158 A163 F164 M165 I186 F247K123-E161 WeakPolarHBondContact CD-OE1 3.45Å; K123-E161 IonicContact NZ-OE1 2.68Å; K123-E161 PolarHBondContact NZ-OE1 2.95Å; K123-E161 IonicContact NZ-OE2 2.72Å; K123-E161 PolarHBondContact NZ-OE2 2.68Å; S157-E161 WeakPolarHBondContact O-CB 3.16Å; S157-E161 PolarHBondContact O-N 3.26Å; A158-E161 PolarHBondContact O-N 3.05Å; E161-A163 VanDerWaalsContact C-N 3.32Å; E161-A163 PolarHBondContact O-N 2.67Å; E161-F164 PolarHBondContact O-N 2.67Å; E161-M165 WeakPolarHBondContact O-CB 3.46Å; E161-M165 PolarHBondContact O-N 2.95Å; E161-I186 HydrophobicContact CB-CD1 3.71Å; E161-I186 HydrophobicContact CG-CD1 3.76Å; E161-F247 HydrophobicContact CG-CB 4.4Å
162H95.4Very high93.6Very high26 Ų2650.2 Ų50.212%0.1225%0.249CC..Hα-helixtrans-60.6-40.8174.8179.9-69.4000111.9A158 F164 M165 Q166 G180 V181 I186A158-H162 WeakPolarHBondContact O-CB 3.28Å; A158-H162 PolarHBondContact O-N 3.38Å; H162-F164 VanDerWaalsContact C-N 3.33Å; H162-F164 PolarHBondContact O-N 2.76Å; H162-M165 PolarHBondContact O-N 3.48Å; H162-Q166 WeakPolarHBondContact O-CB 3.25Å; H162-Q166 PolarHBondContact O-N 2.82Å; H162-G180 VanDerWaalsContact CD2-C 3.5Å; H162-G180 PolarHBondContact CD2-O 3Å; H162-V181 HydrophobicContact CB-CB 3.9Å; H162-V181 HydrophobicContact CB-CG1 4.09Å; H162-V181 HydrophobicContact CB-CG2 4.17Å; H162-V181 VanDerWaalsContact CD2-CB 3.5Å; H162-V181 WeakPolarHBondContact CD2-CB 3.22Å; H162-I186 HydrophobicContact CB-CG2 4.22Å
163A93.3Very high94Very high58 Ų5846.7 Ų46.748%0.47924%0.235SC..Hα-helixtrans-63.8-38.7178.600000112.2A159 K160 E161 A167A159-A163 WeakPolarHBondContact O-CB 2.97Å; A159-A163 PolarHBondContact O-N 3.32Å; K160-A163 PolarHBondContact O-N 2.94Å; E161-A163 VanDerWaalsContact C-N 3.32Å; E161-A163 PolarHBondContact O-N 2.67Å; A163-A167 WeakPolarHBondContact O-CB 3.31Å; A163-A167 PolarHBondContact O-N 3.23Å
164F92Very high94.4Very high43 Ų4348.5 Ų48.519%0.18925%0.247CC..Hα-helixtrans-67-47.3173.1-77.7-39.5000112.2K160 E161 H162 Q166 A167 L168 L224 F247 A250K160-F164 HydrophobicContact CD-CE2 4.27Å; K160-F164 HydrophobicContact CG-CD2 4.17Å; K160-F164 HydrophobicContact CG-CE2 4Å; K160-F164 PolarHBondContact O-N 2.9Å; E161-F164 PolarHBondContact O-N 2.67Å; H162-F164 VanDerWaalsContact C-N 3.33Å; H162-F164 PolarHBondContact O-N 2.76Å; F164-Q166 VanDerWaalsContact C-N 3.28Å; F164-Q166 PolarHBondContact O-N 3.24Å; F164-A167 PolarHBondContact O-N 2.85Å; F164-A167 VanDerWaalsContact O-N 3.1Å; F164-L168 WeakPolarHBondContact O-CB 3.22Å; F164-L168 VanDerWaalsContact O-CG 3.27Å; F164-L168 WeakPolarHBondContact O-CG 3.41Å; F164-L168 PolarHBondContact O-N 3.22Å; F164-L224 HydrophobicContact CD1-CD1 4.13Å; F164-L224 HydrophobicContact CD1-CD2 4.35Å; F164-L224 HydrophobicContact CE1-CD1 4.19Å; F164-L224 HydrophobicContact CE1-CD2 3.6Å; F164-L224 HydrophobicContact CZ-CD2 3.95Å; F164-F247 HydrophobicContact CB-CB 4.32Å; F164-A250 HydrophobicContact CD2-CB 4.02Å; F164-A250 HydrophobicContact CE2-CB 3.74Å; F164-A250 HydrophobicContact CZ-CB 4.44Å
165M94.9Very high94.6Very high1 Ų148.9 Ų48.91%0.00525%0.249CC..Hα-helixtrans-56.3-43.8177.6-170.7178.7-64.600111.5E161 H162 L168 H169 P176 P178 M188E161-M165 WeakPolarHBondContact O-CB 3.46Å; E161-M165 PolarHBondContact O-N 2.95Å; H162-M165 PolarHBondContact O-N 3.48Å; M165-L168 PolarHBondContact O-N 3.26Å; M165-H169 VanDerWaalsContact O-CB 3.23Å; M165-H169 WeakPolarHBondContact O-CB 3.35Å; M165-H169 PolarHBondContact O-N 2.87Å; M165-P176 WeakPolarHBondContact CG-O 3.5Å; M165-P176 HydrophobicContact SD-CB 4.48Å; M165-P178 HydrophobicContact CG-CB 4.1Å; M165-P178 HydrophobicContact CG-CG 4.32Å; M165-P178 HydrophobicContact SD-CB 4.06Å; M165-M188 HydrophobicContact CE-CE 3.79Å; M165-M188 HydrophobicContact CE-SD 3.71Å; M165-M188 HydrophobicContact SD-CB 3.9Å; M165-M188 HydrophobicContact SD-CE 4.37Å; M165-M188 HydrophobicContact SD-SD 4.1Å
166Q95.5Very high94.8Very high65 Ų6543.7 Ų43.730%0.30423%0.23SC..Hα-helixtrans-59-51.8172.9-170.671.163.900112.1H162 F164 L168 H169 D170 P178H162-Q166 WeakPolarHBondContact O-CB 3.25Å; H162-Q166 PolarHBondContact O-N 2.82Å; F164-Q166 VanDerWaalsContact C-N 3.28Å; F164-Q166 PolarHBondContact O-N 3.24Å; Q166-L168 PolarHBondContact O-N 3.42Å; Q166-H169 PolarHBondContact O-N 3.3Å; Q166-D170 PolarHBondContact NE2-OD1 2.75Å; Q166-D170 WeakPolarHBondContact O-CB 3.47Å; Q166-D170 PolarHBondContact O-N 3.11Å; Q166-P178 HydrophobicContact CB-CG 4.15Å
167A94.2Very high95Very high30 Ų3043.9 Ų43.925%0.24823%0.234CC..Hα-helixtrans-62.5-32.3-177.800000113.3A163 F164 R171A163-A167 WeakPolarHBondContact O-CB 3.31Å; A163-A167 PolarHBondContact O-N 3.23Å; F164-A167 PolarHBondContact O-N 2.85Å; F164-A167 VanDerWaalsContact O-N 3.1Å; A167-R171 WeakPolarHBondContact O-CD 3.4Å; A167-R171 WeakPolarHBondContact O-CG 3.22Å; A167-R171 PolarHBondContact O-NH1 3.22Å
168L95.3Very high95.3Very high3 Ų343.4 Ų43.42%0.01623%0.231CC..Hα-helixtrans-75.8-46.8176.3-68.5176000111.3F164 M165 Q166 D170 R171 Q172 F173 V175 L219 L224 F247F164-L168 WeakPolarHBondContact O-CB 3.22Å; F164-L168 VanDerWaalsContact O-CG 3.27Å; F164-L168 WeakPolarHBondContact O-CG 3.41Å; F164-L168 PolarHBondContact O-N 3.22Å; M165-L168 PolarHBondContact O-N 3.26Å; Q166-L168 PolarHBondContact O-N 3.42Å; L168-D170 VanDerWaalsContact C-N 3.33Å; L168-D170 PolarHBondContact O-N 3.21Å; L168-R171 CarbonylContact O-C 3.56Å; L168-R171 WeakPolarHBondContact O-CA 3.35Å; L168-R171 PolarHBondContact O-N 3Å; L168-Q172 PolarHBondContact O-N 2.87Å; L168-F173 HydrophobicContact CB-CB 4.03Å; L168-F173 HydrophobicContact CB-CD2 4.4Å; L168-F173 HydrophobicContact CB-CG 4.33Å; L168-F173 HydrophobicContact CD2-CD1 4.32Å; L168-F173 HydrophobicContact CD2-CD2 3.94Å; L168-F173 HydrophobicContact CD2-CE2 4.14Å; L168-F173 HydrophobicContact CD2-CG 4.02Å; L168-F173 HydrophobicContact CD2-CZ 4.4Å; L168-F173 WeakPolarHBondContact O-CB 3.27Å; L168-F173 WeakPolarHBondContact O-CD2 3.48Å; L168-F173 PolarHBondContact O-N 2.9Å; L168-F173 VanDerWaalsContact O-N 3.07Å; L168-V175 HydrophobicContact CB-CG1 4.18Å; L168-V175 HydrophobicContact CB-CG2 3.95Å; L168-V175 HydrophobicContact CD1-CG1 4.21Å; L168-L219 HydrophobicContact CD1-CD1 4.31Å; L168-L219 HydrophobicContact CD2-CD1 3.45Å; L168-L219 VanDerWaalsContact CD2-CD1 3.45Å; L168-L224 HydrophobicContact CD2-CD1 4.33Å; L168-F247 HydrophobicContact CD1-CD1 3.73Å; L168-F247 HydrophobicContact CD1-CE1 3.39Å; L168-F247 HydrophobicContact CD1-CE2 4.25Å; L168-F247 HydrophobicContact CD1-CG 4.29Å; L168-F247 HydrophobicContact CD1-CZ 3.7Å
169H96.5Very high95.5Very high65 Ų6546.3 Ų46.330%0.30125%0.249SC..Hα-helixtrans-58.8-44.4176.3179.9-90.6000111.6M165 Q166 R171 Q172 V175 P178M165-H169 VanDerWaalsContact O-CB 3.23Å; M165-H169 WeakPolarHBondContact O-CB 3.35Å; M165-H169 PolarHBondContact O-N 2.87Å; Q166-H169 PolarHBondContact O-N 3.3Å; H169-R171 PolarHBondContact O-N 3.32Å; H169-R171 VanDerWaalsContact O-N 3.1Å; H169-Q172 PolarHBondContact O-N 3.26Å; H169-V175 HydrophobicContact CB-CG2 3.92Å; H169-P178 HydrophobicContact CB-CG 4.37Å
170D96.4Very high95.6Very high90 Ų9044.6 Ų44.648%0.48124%0.235SC..THydrogen-bonded Turntrans-61.9-20.4177.1-66-11000113.2Q166 L168 Q172Q166-D170 PolarHBondContact NE2-OD1 2.75Å; Q166-D170 WeakPolarHBondContact O-CB 3.47Å; Q166-D170 PolarHBondContact O-N 3.11Å; L168-D170 VanDerWaalsContact C-N 3.33Å; L168-D170 PolarHBondContact O-N 3.21Å; D170-Q172 PolarHBondContact O-NE2 3.12Å
171R95.8Very high95.9Very high130 Ų13042.9 Ų42.949%0.49123%0.232SC..THydrogen-bonded Turntrans-10216.9176.5-72.4174.8177.169.24.4112.9A167 L168 H169 F173 R218A167-R171 WeakPolarHBondContact O-CD 3.4Å; A167-R171 WeakPolarHBondContact O-CG 3.22Å; A167-R171 PolarHBondContact O-NH1 3.22Å; L168-R171 CarbonylContact O-C 3.56Å; L168-R171 WeakPolarHBondContact O-CA 3.35Å; L168-R171 PolarHBondContact O-N 3Å; H169-R171 PolarHBondContact O-N 3.32Å; H169-R171 VanDerWaalsContact O-N 3.1Å; R171-F173 HydrophobicContact CB-CD2 3.7Å; R171-F173 HydrophobicContact CB-CE2 3.81Å; R171-F173 PolarHBondContact O-N 2.72Å; R171-R218 PolarHBondContact O-NH2 2.59Å
172Q96.2Very high96.2Very high147 Ų14744 Ų4469%0.68724%0.238SC*.THydrogen-bonded Turntrans56.636.8176-5870.74300111.9L168 H169 D170 R218L168-Q172 PolarHBondContact O-N 2.87Å; H169-Q172 PolarHBondContact O-N 3.26Å; D170-Q172 PolarHBondContact O-NE2 3.12Å; Q172-R218 PolarHBondContact O-NH2 3.35Å
173F97.5Very high96.2Very high10 Ų1044.2 Ų44.24%0.04424%0.238CC..  trans-76.9146163.8-78.2-100.2000109.3L168 R171 V175 F215 R218 L219L168-F173 HydrophobicContact CB-CB 4.03Å; L168-F173 HydrophobicContact CB-CD2 4.4Å; L168-F173 HydrophobicContact CB-CG 4.33Å; L168-F173 HydrophobicContact CD2-CD1 4.32Å; L168-F173 HydrophobicContact CD2-CD2 3.94Å; L168-F173 HydrophobicContact CD2-CE2 4.14Å; L168-F173 HydrophobicContact CD2-CG 4.02Å; L168-F173 HydrophobicContact CD2-CZ 4.4Å; L168-F173 WeakPolarHBondContact O-CB 3.27Å; L168-F173 WeakPolarHBondContact O-CD2 3.48Å; L168-F173 PolarHBondContact O-N 2.9Å; L168-F173 VanDerWaalsContact O-N 3.07Å; R171-F173 HydrophobicContact CB-CD2 3.7Å; R171-F173 HydrophobicContact CB-CE2 3.81Å; R171-F173 PolarHBondContact O-N 2.72Å; F173-V175 HydrophobicContact CB-CG1 4.16Å; F173-V175 PolarHBondContact O-N 3.46Å; F173-F215 HydrophobicContact CB-CE2 4.25Å; F173-F215 AromaticContact CD1-CD2 3.87Å; F173-F215 HydrophobicContact CD1-CD2 3.87Å; F173-F215 AromaticContact CD1-CE2 3.67Å; F173-F215 HydrophobicContact CD1-CE2 3.67Å; F173-F215 HydrophobicContact CD1-CZ 4.24Å; F173-F215 HydrophobicContact CG-CE2 4.45Å; F173-R218 HydrophobicContact CE1-CB 3.62Å; F173-R218 HydrophobicContact CZ-CB 3.62Å; F173-L219 HydrophobicContact CE1-CB 4.12Å; F173-L219 HydrophobicContact CE1-CD1 4.38Å
174P97.1Very high96.3Very high41 Ų4141.4 Ų41.427%0.26622%0.215SC..SBendtrans-73.981.1174.232.1-36000110.1F215 P242 I243 V244P174-F215 HydrophobicContact CG-CD2 3.62Å; P174-F215 HydrophobicContact CG-CE2 4.04Å; P174-P242 VanDerWaalsContact CB-O 3.26Å; P174-P242 WeakPolarHBondContact CB-O 3.29Å; P174-I243 HydrophobicContact CB-CD1 3.8Å; P174-I243 WeakPolarHBondContact O-CA 3.45Å; P174-V244 PolarHBondContact O-N 2.68Å
175V97.3Very high96.6Very high8 Ų839.4 Ų39.45%0.04821%0.206CC..SBendtrans-131.1156.2175.8-59.20000108.5L168 H169 F173 C177 F215 F247L168-V175 HydrophobicContact CB-CG1 4.18Å; L168-V175 HydrophobicContact CB-CG2 3.95Å; L168-V175 HydrophobicContact CD1-CG1 4.21Å; H169-V175 HydrophobicContact CB-CG2 3.92Å; F173-V175 HydrophobicContact CB-CG1 4.16Å; F173-V175 PolarHBondContact O-N 3.46Å; V175-C177 PolarHBondContact O-N 2.95Å; V175-F215 HydrophobicContact CG1-CE2 4.25Å; V175-F215 HydrophobicContact CG1-CZ 4.47Å; V175-F247 HydrophobicContact CB-CE2 4.41Å; V175-F247 HydrophobicContact CG1-CE2 3.92Å; V175-F247 HydrophobicContact CG1-CZ 3.56Å
176P97.4Very high96.7Very high3 Ų339.3 Ų39.32%0.01921%0.206CC..PPolyproline II helixtrans-56.7140.5175.9-2231.6000111.7M165 P178 M188 E189 V191 I243 I245M165-P176 WeakPolarHBondContact CG-O 3.5Å; M165-P176 HydrophobicContact SD-CB 4.48Å; P176-P178 WeakPolarHBondContact O-CD 3.21Å; P176-M188 HydrophobicContact CB-CB 4.15Å; P176-M188 HydrophobicContact CB-CG 4.18Å; P176-M188 HydrophobicContact CB-SD 4.24Å; P176-M188 HydrophobicContact CG-SD 4.33Å; P176-E189 HydrophobicContact CB-CB 4.35Å; P176-V191 HydrophobicContact CB-CG2 4.07Å; P176-V191 HydrophobicContact CG-CG2 3.9Å; P176-I243 HydrophobicContact CG-CG2 4.31Å; P176-I245 HydrophobicContact CG-CG2 3.77Å
177C97.2Very high96.8Very high43 Ų4336.2 Ų36.229%0.29119%0.191SC..PPolyproline II helixtrans-62.9121.3172.9-179.20000110.7V175 M188 E189V175-C177 PolarHBondContact O-N 2.95Å; C177-M188 CarbonylContact O-C 3.41Å; C177-M188 VanDerWaalsContact O-CA 3.27Å; C177-M188 WeakPolarHBondContact O-CA 3.4Å; C177-E189 HydrophobicContact CB-CB 3.97Å; C177-E189 WeakPolarHBondContact CB-OE2 3.47Å; C177-E189 PolarHBondContact N-OE2 3.34Å; C177-E189 PolarHBondContact O-N 2.91Å
178P97.2Very high97Very high12 Ų1235.5 Ų35.58%0.07818%0.183CC..EExtended strand (participates in β ladder)trans-75131.317728.5-30.8000110.9M165 Q166 H169 P176M165-P178 HydrophobicContact CG-CB 4.1Å; M165-P178 HydrophobicContact CG-CG 4.32Å; M165-P178 HydrophobicContact SD-CB 4.06Å; Q166-P178 HydrophobicContact CB-CG 4.15Å; H169-P178 HydrophobicContact CB-CG 4.37Å; P176-P178 WeakPolarHBondContact O-CD 3.21Å
179V97.5Very high97.1Very high62 Ų6239.5 Ų39.538%0.37620%0.201SC..EExtended strand (participates in β ladder)trans-108.9-36.2-176.3174.60000112A93 L120 V187A93-V179 HydrophobicContact CB-CG1 4.3Å; L120-V179 HydrophobicContact CD1-CG1 4.38Å; L120-V179 HydrophobicContact CD2-CG2 3.83Å; V179-V187 HydrophobicContact CB-CB 4.18Å; V179-V187 HydrophobicContact CB-CG1 3.92Å; V179-V187 HydrophobicContact CG1-CB 4.44Å; V179-V187 HydrophobicContact CG1-CG1 3.95Å; V179-V187 PolarHBondContact N-O 3.15Å
180G97Very high97.2Very high11 Ų1139.6 Ų39.611%0.11320%0.2CC..EExtended strand (participates in β ladder)trans-179.6165.4176.400000114.4H162 V187H162-G180 VanDerWaalsContact CD2-C 3.5Å; H162-G180 PolarHBondContact CD2-O 3Å; G180-V187 PolarHBondContact N-O 3.31Å; G180-V187 VanDerWaalsContact N-O 3.08Å; G180-V187 PolarHBondContact O-N 3Å
181V97.9Very high97.2Very high49 Ų4936.2 Ų36.230%0.29718%0.182SC..EExtended strand (participates in β ladder)trans-139.6134.8176.658.10000110.8H162 C185 I186H162-V181 HydrophobicContact CB-CB 3.9Å; H162-V181 HydrophobicContact CB-CG1 4.09Å; H162-V181 HydrophobicContact CB-CG2 4.17Å; H162-V181 VanDerWaalsContact CD2-CB 3.5Å; H162-V181 WeakPolarHBondContact CD2-CB 3.22Å; V181-C185 WeakPolarHBondContact CA-O 3.4Å; V181-C185 WeakPolarHBondContact CG2-O 3.01Å; V181-I186 HydrophobicContact CG2-CG1 4.46Å
182N97.9Very high97.1Very high26 Ų2635.6 Ų35.614%0.13919%0.188CC..EExtended strand (participates in β ladder)trans-144.2126.8170.2-157.8-78.7000111.4A87 L88 H184 C185A87-N182 HydrophobicContact CB-CB 4.38Å; A87-N182 VanDerWaalsContact CB-CG 3.45Å; A87-N182 VanDerWaalsContact CB-ND2 3.25Å; A87-N182 WeakPolarHBondContact CB-ND2 3.3Å; L88-N182 HydrophobicContact CD1-CB 4.36Å; L88-N182 HydrophobicContact CD2-CB 3.83Å; L88-N182 HydrophobicContact CG-CB 3.78Å; N182-H184 PolarHBondContact O-N 3.05Å; N182-H184 VanDerWaalsContact O-N 3.09Å; N182-C185 PolarHBondContact N-O 3.48Å; N182-C185 WeakPolarHBondContact O-CB 3.48Å; N182-C185 PolarHBondContact O-N 3.42Å
183R96.7Very high97.1Very high31 Ų3129.4 Ų29.412%0.11716%0.164CC..THydrogen-bonded Turntrans53.4-115.2-176.3-68.2172.3176.487.3-5.6110.1E24 Y80 L83 A84 R155E24-R183 VanDerWaalsContact CD-NE 3.32Å; E24-R183 IonicContact OE1-CZ 2.73Å; E24-R183 IonicContact OE1-NE 3.73Å; E24-R183 PolarHBondContact OE1-NE 2.81Å; E24-R183 IonicContact OE1-NH2 3.34Å; E24-R183 IonicContact OE2-CZ 3.37Å; E24-R183 VanDerWaalsContact OE2-CZ 3.29Å; E24-R183 IonicContact OE2-NE 2.65Å; E24-R183 PolarHBondContact OE2-NE 3.35Å; E24-R183 IonicContact OE2-NH2 3.47Å; E24-R183 PolarHBondContact OE2-NH2 3.34Å; Y80-R183 HydrophobicContact CE1-CB 3.74Å; Y80-R183 HydrophobicContact CE1-CG 4.31Å; Y80-R183 HydrophobicContact CE2-CB 4.35Å; Y80-R183 HydrophobicContact CE2-CG 4.04Å; Y80-R183 WeakPolarHBondContact OH-CG 3.28Å; L83-R183 PolarHBondContact O-NH1 3.13Å; A84-R183 HydrophobicContact CB-CB 4.08Å; R155-R183 VanDerWaalsContact CA-O 3.31Å; R155-R183 WeakPolarHBondContact CA-O 3.41Å
184H95.9Very high96.9Very high0 Ų032.4 Ų32.40%018%0.183CC..THydrogen-bonded Turntrans-102.515.2179.463-52.4000112.7Y80 D81 F124 T125 N182Y80-H184 HydrophobicContact CD1-CB 4.38Å; Y80-H184 AromaticContact CD1-CE1 3.25Å; Y80-H184 WeakPolarHBondContact CD1-CE1 3.24Å; Y80-H184 AromaticContact CD1-CG 3.59Å; Y80-H184 AromaticContact CD1-ND1 2.97Å; Y80-H184 WeakPolarHBondContact CD1-ND1 3.49Å; Y80-H184 AromaticContact CD1-NE2 3.93Å; Y80-H184 HydrophobicContact CE1-CB 4.1Å; Y80-H184 AromaticContact CE1-CE1 3.97Å; Y80-H184 AromaticContact CE1-CG 3.77Å; Y80-H184 AromaticContact CE1-ND1 3.22Å; Y80-H184 WeakPolarHBondContact CE1-ND1 3.39Å; Y80-H184 AromaticContact CG-CE1 3.82Å; Y80-H184 AromaticContact CG-ND1 3.91Å; D81-H184 IonicContact OD1-CD2 2.95Å; D81-H184 IonicContact OD1-CE1 2.73Å; D81-H184 PolarHBondContact OD1-CE1 3.37Å; D81-H184 IonicContact OD1-NE2 3.05Å; D81-H184 PolarHBondContact OD1-NE2 3.09Å; F124-H184 AromaticContact CD1-NE2 3.82Å; T125-H184 PolarHBondContact N-O 3.43Å; T125-H184 PolarHBondContact O-CD2 3.09Å; T125-H184 PolarHBondContact OG1-O 2.92Å; N182-H184 PolarHBondContact O-N 3.05Å; N182-H184 VanDerWaalsContact O-N 3.09Å
185C97Very high96.9Very high0 Ų032.2 Ų32.20%018%0.182CC..EExtended strand (participates in β ladder)trans-112130.1-178.7-580000110A84 L88 I122 K123 F124 V181 N182A84-C185 HydrophobicContact CB-CB 4.07Å; A84-C185 WeakPolarHBondContact CB-SG 3.34Å; L88-C185 HydrophobicContact CD1-CB 3.88Å; I122-C185 HydrophobicContact CG2-CB 4.37Å; K123-C185 CarbonylContact O-C 3.55Å; K123-C185 WeakPolarHBondContact O-CA 3.25Å; F124-C185 WeakPolarHBondContact CD1-SG 3.47Å; F124-C185 WeakPolarHBondContact CE1-SG 3.48Å; V181-C185 WeakPolarHBondContact CA-O 3.4Å; V181-C185 WeakPolarHBondContact CG2-O 3.01Å; N182-C185 PolarHBondContact N-O 3.48Å; N182-C185 WeakPolarHBondContact O-CB 3.48Å; N182-C185 PolarHBondContact O-N 3.42Å
186I97.7Very high96.8Very high0 Ų034 Ų340%019%0.191CC..EExtended strand (participates in β ladder)trans-113.5134.5172.8-49.5175.1000107.4I122 K123 A158 E161 H162 V181 M188I122-I186 CarbonylContact C-O 3.5Å; I122-I186 WeakPolarHBondContact CA-O 3.36Å; K123-I186 HydrophobicContact CB-CB 4.4Å; K123-I186 PolarHBondContact N-O 3.34Å; K123-I186 PolarHBondContact O-N 2.73Å; A158-I186 HydrophobicContact CB-CD1 4.26Å; A158-I186 HydrophobicContact CB-CG1 3.92Å; A158-I186 WeakPolarHBondContact O-CD1 3.48Å; E161-I186 HydrophobicContact CB-CD1 3.71Å; E161-I186 HydrophobicContact CG-CD1 3.76Å; H162-I186 HydrophobicContact CB-CG2 4.22Å; V181-I186 HydrophobicContact CG2-CG1 4.46Å; I186-M188 HydrophobicContact CB-CE 3.96Å; I186-M188 HydrophobicContact CG2-CE 3.63Å
187V98.1Very high96.8Very high0 Ų035.8 Ų35.80%021%0.206CC..EExtended strand (participates in β ladder)trans-109.6129171.9-169.70000107.4L88 V94 L120 V121 I122 V179 G180L88-V187 HydrophobicContact CD1-CG2 3.65Å; L88-V187 HydrophobicContact CD2-CG2 3.73Å; L88-V187 HydrophobicContact CG-CG2 4.21Å; V94-V187 HydrophobicContact CG2-CB 4.28Å; V94-V187 HydrophobicContact CG2-CG1 3.56Å; V94-V187 HydrophobicContact CG2-CG2 3.66Å; L120-V187 HydrophobicContact CB-CG1 4.34Å; L120-V187 HydrophobicContact CD1-CG1 3.91Å; V121-V187 VanDerWaalsContact O-CA 3.31Å; V121-V187 WeakPolarHBondContact O-CA 3.27Å; I122-V187 HydrophobicContact CG1-CG2 4.37Å; V179-V187 HydrophobicContact CB-CB 4.18Å; V179-V187 HydrophobicContact CB-CG1 3.92Å; V179-V187 HydrophobicContact CG1-CB 4.44Å; V179-V187 HydrophobicContact CG1-CG1 3.95Å; V179-V187 PolarHBondContact N-O 3.15Å; G180-V187 PolarHBondContact N-O 3.31Å; G180-V187 VanDerWaalsContact N-O 3.08Å; G180-V187 PolarHBondContact O-N 3Å
188M97.9Very high96.7Very high14 Ų1439.5 Ų39.57%0.06922%0.219CC..EExtended strand (participates in β ladder)trans-144.7167.1-179.566.6-164.678.400109.9L120 V121 K123 M165 P176 C177 I186L120-M188 CarbonylContact C-O 3.58Å; L120-M188 WeakPolarHBondContact CA-O 3.44Å; V121-M188 HydrophobicContact CB-CG 4.03Å; V121-M188 HydrophobicContact CG1-CG 4.34Å; V121-M188 PolarHBondContact N-O 2.96Å; V121-M188 PolarHBondContact O-N 3.31Å; K123-M188 HydrophobicContact CB-CE 3.87Å; K123-M188 HydrophobicContact CD-CE 4.33Å; M165-M188 HydrophobicContact CE-CE 3.79Å; M165-M188 HydrophobicContact CE-SD 3.71Å; M165-M188 HydrophobicContact SD-CB 3.9Å; M165-M188 HydrophobicContact SD-CE 4.37Å; M165-M188 HydrophobicContact SD-SD 4.1Å; P176-M188 HydrophobicContact CB-CB 4.15Å; P176-M188 HydrophobicContact CB-CG 4.18Å; P176-M188 HydrophobicContact CB-SD 4.24Å; P176-M188 HydrophobicContact CG-SD 4.33Å; C177-M188 CarbonylContact O-C 3.41Å; C177-M188 VanDerWaalsContact O-CA 3.27Å; C177-M188 WeakPolarHBondContact O-CA 3.4Å; I186-M188 HydrophobicContact CB-CE 3.96Å; I186-M188 HydrophobicContact CG2-CE 3.63Å
189E97.6Very high96.5Very high87 Ų8741 Ų4141%0.40723%0.227SC..EExtended strand (participates in β ladder)trans-50.8138.9169.6176.9178.3-162.100112P176 C177P176-E189 HydrophobicContact CB-CB 4.35Å; C177-E189 HydrophobicContact CB-CB 3.97Å; C177-E189 WeakPolarHBondContact CB-OE2 3.47Å; C177-E189 PolarHBondContact N-OE2 3.34Å; C177-E189 PolarHBondContact O-N 2.91Å
190Y97.5Very high96.3Very high68 Ų6845 Ų4527%0.26725%0.252SS..PPolyproline II helixtrans-78117.8163.2174.4-103.3000109I101 L111 E119 V121 D192I101-Y190 HydrophobicContact CD1-CD2 4.41Å; I101-Y190 HydrophobicContact CD1-CE2 4.17Å; L111-Y190 HydrophobicContact CD2-CD2 3.56Å; L111-Y190 HydrophobicContact CD2-CE2 3.75Å; L111-Y190 HydrophobicContact CD2-CG 4.19Å; E119-Y190 HydrophobicContact CB-CD1 4.1Å; E119-Y190 HydrophobicContact CB-CG 4.27Å; E119-Y190 WeakPolarHBondContact O-CB 3.36Å; E119-Y190 PolarHBondContact O-N 3.32Å; V121-Y190 HydrophobicContact CG2-CD2 3.69Å; V121-Y190 HydrophobicContact CG2-CG 4.36Å; Y190-D192 HydrophobicContact CE1-CB 4.02Å
191V96.7Very high96Very high18 Ų1852.6 Ų52.611%0.10929%0.285CS..PPolyproline II helixtrans-91.2116.7174.6177.10000108.1P176 G193 L235 T237 I243P176-V191 HydrophobicContact CB-CG2 4.07Å; P176-V191 HydrophobicContact CG-CG2 3.9Å; V191-G193 PolarHBondContact O-N 3.39Å; V191-L235 HydrophobicContact CB-CD1 3.87Å; V191-L235 HydrophobicContact CG1-CB 4.33Å; V191-L235 HydrophobicContact CG1-CD1 3.94Å; V191-T237 HydrophobicContact CG1-CG2 4.42Å; V191-I243 HydrophobicContact CG1-CB 4.06Å; V191-I243 HydrophobicContact CG1-CG1 3.86Å; V191-I243 HydrophobicContact CG1-CG2 4.22Å; V191-I243 HydrophobicContact CG2-CG2 3.99Å
192D94.7Very high95.7Very high117 Ų11752.3 Ų52.363%0.62628%0.283SS*.  trans-76.376.4172.5-167.424.7000110.3Y190Y190-D192 HydrophobicContact CE1-CB 4.02Å
193G95Very high95.4Very high18 Ų1856.5 Ų56.519%0.18632%0.321CS..EExtended strand (participates in β ladder)trans-144.5156-17800000112.2V191 V236V191-G193 PolarHBondContact O-N 3.39Å; G193-V236 CarbonylContact C-O 3.53Å; G193-V236 WeakPolarHBondContact CA-O 3.47Å
194V94.5Very high95.3Very high73 Ų7358.6 Ų58.644%0.44234%0.335SS..EExtended strand (participates in β ladder)trans-102.4134.3-179.9-178.50000108.6L196 H198 V199 L235 V236V194-L196 PolarHBondContact O-N 3.43Å; V194-H198 HydrophobicContact CG1-CB 3.78Å; V194-V199 HydrophobicContact CB-CG2 4.4Å; V194-V199 HydrophobicContact CG1-CG2 4.38Å; V194-L235 CarbonylContact O-C 3.57Å; V194-L235 WeakPolarHBondContact O-CA 3.49Å; V194-V236 PolarHBondContact N-O 3.41Å; V194-V236 PolarHBondContact O-N 3.26Å
195P95.6Very high95.3Very high37 Ų3763.4 Ų63.424%0.2436%0.364CS..EExtended strand (participates in β ladder)trans-52.2134.1172.1-25.733.5000110.8A197 H198 V234 L235P195-A197 PolarHBondContact O-N 3.27Å; P195-H198 PolarHBondContact O-N 3.32Å; P195-V234 CarbonylContact C-O 3.54Å; P195-V234 WeakPolarHBondContact CA-O 3.36Å; P195-L235 HydrophobicContact CB-CD2 4.37Å; P195-L235 HydrophobicContact CG-CD2 3.85Å
196L96.9Very high95.3Very high46 Ų4666.1 Ų66.124%0.24139%0.387CS..G310 helixtrans-51.8-33.1-177.9179.863.2000112V194 H198 V199 L208 L212 E231 V234 V236V194-L196 PolarHBondContact O-N 3.43Å; L196-H198 PolarHBondContact O-N 2.86Å; L196-H198 VanDerWaalsContact O-N 3.09Å; L196-V199 HydrophobicContact CD1-CB 4.42Å; L196-V199 HydrophobicContact CD1-CG2 4.45Å; L196-V199 PolarHBondContact O-N 2.93Å; L196-V199 VanDerWaalsContact O-N 3.1Å; L196-L208 HydrophobicContact CD1-CD2 3.97Å; L196-L212 HydrophobicContact CD2-CD1 4.26Å; L196-E231 CarbonylContact C-O 3.57Å; L196-E231 WeakPolarHBondContact CA-O 3.4Å; L196-E231 HydrophobicContact CB-CB 4.21Å; L196-E231 WeakPolarHBondContact CB-O 3.47Å; L196-E231 HydrophobicContact CD2-CB 4.36Å; L196-E231 HydrophobicContact CG-CB 4.28Å; L196-E231 PolarHBondContact N-O 2.77Å; L196-E231 VanDerWaalsContact N-O 3.07Å; L196-V234 HydrophobicContact CB-CB 4.14Å; L196-V234 HydrophobicContact CB-CG1 4.29Å; L196-V234 HydrophobicContact CD2-CB 4.47Å; L196-V234 HydrophobicContact CD2-CG1 4.43Å; L196-V234 PolarHBondContact N-O 2.98Å; L196-V236 HydrophobicContact CB-CG2 4.18Å; L196-V236 HydrophobicContact CD1-CG2 3.79Å
197A95.7Very high95.2Very high39 Ų3970.8 Ų70.832%0.32241%0.408SS..G310 helixtrans-55.1-24.2173.700000114.9P195 E231 F232P195-A197 PolarHBondContact O-N 3.27Å; A197-E231 HydrophobicContact CB-CB 4.11Å; A197-E231 HydrophobicContact CB-CG 3.58Å; A197-E231 PolarHBondContact N-O 2.88Å; A197-F232 HydrophobicContact CB-CD1 3.63Å; A197-F232 HydrophobicContact CB-CE1 3.46Å; A197-F232 VanDerWaalsContact CB-CE1 3.46Å; A197-F232 HydrophobicContact CB-CG 4.27Å; A197-F232 HydrophobicContact CB-CZ 3.97Å
198H95.6Very high95.2Very high122 Ų12271.3 Ų71.357%0.56541%0.411SS*.G310 helixtrans-111.32.5-177.9-53.1135.1000112.9V194 P195 L196 T200V194-H198 HydrophobicContact CG1-CB 3.78Å; P195-H198 PolarHBondContact O-N 3.32Å; L196-H198 PolarHBondContact O-N 2.86Å; L196-H198 VanDerWaalsContact O-N 3.09Å; H198-T200 PolarHBondContact O-N 3.46Å
199V94.2Very high95.1Very high42 Ų4277.9 Ų77.926%0.25544%0.436SS..  trans-76.3120.7176.4177.30000108.8V194 L196 E201 V202 V236V194-V199 HydrophobicContact CB-CG2 4.4Å; V194-V199 HydrophobicContact CG1-CG2 4.38Å; L196-V199 HydrophobicContact CD1-CB 4.42Å; L196-V199 HydrophobicContact CD1-CG2 4.45Å; L196-V199 PolarHBondContact O-N 2.93Å; L196-V199 VanDerWaalsContact O-N 3.1Å; V199-E201 VanDerWaalsContact CG1-O 3.31Å; V199-E201 WeakPolarHBondContact CG1-O 3.31Å; V199-V202 HydrophobicContact CG1-CG2 3.65Å; V199-V236 HydrophobicContact CG2-CB 3.96Å; V199-V236 HydrophobicContact CG2-CG2 3.96Å
200T92.5Very high95.1Very high148 Ų14880.1 Ų80.191%0.90845%0.447SS*.  trans-88.4-30.6-177.452.70000113.3H198H198-T200 PolarHBondContact O-N 3.46Å
201E91.3Very high95.1Very high169 Ų16979.4 Ų79.479%0.7945%0.446SS*.  trans-143.5137.8-177.9-172.2171.9-169.200109.3V199V199-E201 VanDerWaalsContact CG1-O 3.31Å; V199-E201 WeakPolarHBondContact CG1-O 3.31Å
202V91Very high95.2Very high44 Ų4479.7 Ų79.727%0.26745%0.447SS..  trans-123.9118.8176.1178.70000106.7V199 N204 V205 L208V199-V202 HydrophobicContact CG1-CG2 3.65Å; V202-N204 VanDerWaalsContact C-N 3.29Å; V202-N204 PolarHBondContact O-N 2.88Å; V202-V205 HydrophobicContact CB-CG2 3.95Å; V202-V205 HydrophobicContact CG1-CG2 4.18Å; V202-L208 HydrophobicContact CG1-CB 4.19Å; V202-L208 HydrophobicContact CG1-CD2 3.81Å; V202-L208 HydrophobicContact CG2-CD2 4.02Å
203A91.3Very high95.3Very high113 Ų11377.9 Ų77.993%0.93444%0.436SS*.SBendtrans-59.2-40.4-176.900000112.3
204N94.8Very high95.4Very high75 Ų7580.8 Ų80.840%0.40145%0.447SS..  trans-133.290.3177.5-169.5-6.3000111.4V202 A206 E207 L208V202-N204 VanDerWaalsContact C-N 3.29Å; V202-N204 PolarHBondContact O-N 2.88Å; N204-A206 VanDerWaalsContact C-N 3.3Å; N204-A206 PolarHBondContact O-N 3.37Å; N204-A206 PolarHBondContact OD1-N 2.88Å; N204-E207 HydrophobicContact CB-CB 4.05Å; N204-E207 VanDerWaalsContact CG-CB 3.44Å; N204-E207 VanDerWaalsContact ND2-CB 3.27Å; N204-E207 WeakPolarHBondContact ND2-CB 2.93Å; N204-E207 PolarHBondContact ND2-OE2 3.47Å; N204-E207 PolarHBondContact O-N 2.97Å; N204-E207 PolarHBondContact OD1-N 3.18Å; N204-L208 PolarHBondContact O-N 2.94Å
205V95.4Very high95.5Very high101 Ų10177.5 Ų77.561%0.61243%0.427SS*.Hα-helixtrans-62.6-37.3-179.3177.60000112V202 Y209V202-V205 HydrophobicContact CB-CG2 3.95Å; V202-V205 HydrophobicContact CG1-CG2 4.18Å; V205-Y209 WeakPolarHBondContact O-CB 3.39Å; V205-Y209 PolarHBondContact O-N 3.11Å
206A96.6Very high95.5Very high58 Ų5877.6 Ų77.648%0.47943%0.431SS..Hα-helixtrans-65.1-44.9-177.800000111.2N204 Y209 E210N204-A206 VanDerWaalsContact C-N 3.3Å; N204-A206 PolarHBondContact O-N 3.37Å; N204-A206 PolarHBondContact OD1-N 2.88Å; A206-Y209 PolarHBondContact O-N 3.5Å; A206-E210 WeakPolarHBondContact O-CG 3.17Å; A206-E210 PolarHBondContact O-N 3.21Å
207E96.9Very high95.5Very high97 Ų9778.8 Ų78.845%0.45344%0.44SS..Hα-helixtrans-64.8-45.4177.6178.5172.1-16200112.3N204 Y209 E210 Q211N204-E207 HydrophobicContact CB-CB 4.05Å; N204-E207 VanDerWaalsContact CG-CB 3.44Å; N204-E207 VanDerWaalsContact ND2-CB 3.27Å; N204-E207 WeakPolarHBondContact ND2-CB 2.93Å; N204-E207 PolarHBondContact ND2-OE2 3.47Å; N204-E207 PolarHBondContact O-N 2.97Å; N204-E207 PolarHBondContact OD1-N 3.18Å; E207-Y209 VanDerWaalsContact C-N 3.29Å; E207-Y209 PolarHBondContact O-N 3.25Å; E207-E210 PolarHBondContact O-N 2.97Å; E207-Q211 VanDerWaalsContact O-CG 3.31Å; E207-Q211 WeakPolarHBondContact O-CG 3.38Å; E207-Q211 PolarHBondContact O-N 3.03Å
208L96.9Very high95.5Very high12 Ų1280.2 Ų80.26%0.06344%0.437CS..Hα-helixtrans-60-42.2175.8177.861.1000111.4L196 V202 N204 Q211 L212 P242L196-L208 HydrophobicContact CD1-CD2 3.97Å; V202-L208 HydrophobicContact CG1-CB 4.19Å; V202-L208 HydrophobicContact CG1-CD2 3.81Å; V202-L208 HydrophobicContact CG2-CD2 4.02Å; N204-L208 PolarHBondContact O-N 2.94Å; L208-Q211 PolarHBondContact O-N 3.16Å; L208-L212 HydrophobicContact CD1-CD1 4.2Å; L208-L212 HydrophobicContact CD1-CG 4.31Å; L208-L212 HydrophobicContact CG-CD1 4.12Å; L208-L212 VanDerWaalsContact O-CG 3.26Å; L208-L212 WeakPolarHBondContact O-CG 3.31Å; L208-L212 PolarHBondContact O-N 3.28Å; L208-P242 HydrophobicContact CD1-CB 3.86Å; L208-P242 HydrophobicContact CD1-CG 3.89Å
209Y97.3Very high95.5Very high152 Ų15274.7 Ų74.760%0.59641%0.412SS*.Hα-helixtrans-61.6-47.8176177.4-95.2000111.6V205 A206 E207 Q211 L212 I213V205-Y209 WeakPolarHBondContact O-CB 3.39Å; V205-Y209 PolarHBondContact O-N 3.11Å; A206-Y209 PolarHBondContact O-N 3.5Å; E207-Y209 VanDerWaalsContact C-N 3.29Å; E207-Y209 PolarHBondContact O-N 3.25Å; Y209-Q211 VanDerWaalsContact C-N 3.34Å; Y209-Q211 PolarHBondContact O-N 3.15Å; Y209-L212 PolarHBondContact O-N 3.33Å; Y209-I213 HydrophobicContact CD1-CG1 4.12Å; Y209-I213 HydrophobicContact CD2-CG1 4.45Å; Y209-I213 HydrophobicContact CE1-CD1 4.43Å; Y209-I213 HydrophobicContact CE1-CG1 3.68Å; Y209-I213 HydrophobicContact CE2-CD1 4.14Å; Y209-I213 HydrophobicContact CE2-CG1 4.03Å; Y209-I213 HydrophobicContact CG-CG1 4.49Å; Y209-I213 WeakPolarHBondContact O-CG1 3.42Å; Y209-I213 PolarHBondContact O-N 3.13Å
210E97.7Very high95.4Very high133 Ų13374.6 Ų74.662%0.62142%0.415SS*.Hα-helixtrans-59-44177.3-76.6177.2-173.100111.8A206 E207 L212 I213 D214A206-E210 WeakPolarHBondContact O-CG 3.17Å; A206-E210 PolarHBondContact O-N 3.21Å; E207-E210 PolarHBondContact O-N 2.97Å; E210-L212 VanDerWaalsContact C-N 3.35Å; E210-L212 PolarHBondContact O-N 3.44Å; E210-I213 PolarHBondContact O-N 3.06Å; E210-D214 WeakPolarHBondContact O-CB 3.26Å; E210-D214 PolarHBondContact O-N 2.82Å
211Q97.7Very high95.5Very high54 Ų5474.8 Ų74.825%0.25241%0.405SS..Hα-helixtrans-61.7-39.9176.5-71.4175.3-30.600112.5E207 L208 Y209 F215 N241 P242E207-Q211 VanDerWaalsContact O-CG 3.31Å; E207-Q211 WeakPolarHBondContact O-CG 3.38Å; E207-Q211 PolarHBondContact O-N 3.03Å; L208-Q211 PolarHBondContact O-N 3.16Å; Y209-Q211 VanDerWaalsContact C-N 3.34Å; Y209-Q211 PolarHBondContact O-N 3.15Å; Q211-F215 WeakPolarHBondContact O-CB 3.49Å; Q211-F215 PolarHBondContact O-N 2.85Å; Q211-N241 PolarHBondContact NE2-OD1 3.29Å; Q211-P242 HydrophobicContact CB-CG 3.75Å
212L97.8Very high95.4Very high24 Ų2469.5 Ų69.513%0.12639%0.387CS..Hα-helixtrans-71-36.8178.2-69.7171.1000112.5L196 L208 Y209 E210 A216 F229 V234 P242L196-L212 HydrophobicContact CD2-CD1 4.26Å; L208-L212 HydrophobicContact CD1-CD1 4.2Å; L208-L212 HydrophobicContact CD1-CG 4.31Å; L208-L212 HydrophobicContact CG-CD1 4.12Å; L208-L212 VanDerWaalsContact O-CG 3.26Å; L208-L212 WeakPolarHBondContact O-CG 3.31Å; L208-L212 PolarHBondContact O-N 3.28Å; Y209-L212 PolarHBondContact O-N 3.33Å; E210-L212 VanDerWaalsContact C-N 3.35Å; E210-L212 PolarHBondContact O-N 3.44Å; L212-A216 PolarHBondContact O-N 2.94Å; L212-A216 VanDerWaalsContact O-N 3.14Å; L212-F229 HydrophobicContact CB-CE1 4.48Å; L212-F229 HydrophobicContact CB-CZ 4.29Å; L212-F229 HydrophobicContact CD2-CE2 4.38Å; L212-F229 HydrophobicContact CD2-CZ 3.72Å; L212-V234 HydrophobicContact CD2-CG1 3.76Å; L212-V234 HydrophobicContact CD2-CG2 3.95Å; L212-P242 HydrophobicContact CD2-CB 3.59Å; L212-P242 HydrophobicContact CD2-CG 4.09Å; L212-P242 HydrophobicContact CG-CB 4.24Å; L212-P242 HydrophobicContact CG-CG 4.37Å
213I97.4Very high95.4Very high78 Ų7868.4 Ų68.440%0.438%0.384SS..Hα-helixtrans-68.4-45.8173.7-65.5-61.2000110.5Y209 E210 F215 A216 V217Y209-I213 HydrophobicContact CD1-CG1 4.12Å; Y209-I213 HydrophobicContact CD2-CG1 4.45Å; Y209-I213 HydrophobicContact CE1-CD1 4.43Å; Y209-I213 HydrophobicContact CE1-CG1 3.68Å; Y209-I213 HydrophobicContact CE2-CD1 4.14Å; Y209-I213 HydrophobicContact CE2-CG1 4.03Å; Y209-I213 HydrophobicContact CG-CG1 4.49Å; Y209-I213 WeakPolarHBondContact O-CG1 3.42Å; Y209-I213 PolarHBondContact O-N 3.13Å; E210-I213 PolarHBondContact O-N 3.06Å; I213-F215 VanDerWaalsContact C-N 3.29Å; I213-F215 PolarHBondContact O-N 3.12Å; I213-A216 PolarHBondContact O-N 2.84Å; I213-A216 VanDerWaalsContact O-N 3.13Å; I213-V217 HydrophobicContact CG2-CG2 4.26Å; I213-V217 WeakPolarHBondContact O-CG2 3.49Å; I213-V217 PolarHBondContact O-N 3.11Å
214D97Very high95.4Very high79 Ų7964.3 Ų64.342%0.42235%0.346SS..Hα-helixtrans-56.6-44.7175179.567.1000111.3E210 A216 V217 R218E210-D214 WeakPolarHBondContact O-CB 3.26Å; E210-D214 PolarHBondContact O-N 2.82Å; D214-A216 PolarHBondContact O-N 3.27Å; D214-V217 PolarHBondContact O-N 2.93Å; D214-R218 WeakPolarHBondContact O-CB 3.36Å; D214-R218 VanDerWaalsContact O-CG 3.31Å; D214-R218 WeakPolarHBondContact O-CG 3.39Å; D214-R218 PolarHBondContact O-N 3.18Å; D214-R218 WeakPolarHBondContact OD2-CD 3.45Å; D214-R218 IonicContact OD2-NH1 3.45Å; D214-R218 PolarHBondContact OD2-NH1 3.12Å
215F97.2Very high95.2Very high5 Ų563.1 Ų63.12%0.02234%0.339CS..Hα-helixtrans-54.6-51174.2-179.3-84.4000111.8F173 P174 V175 Q211 I213 L219 F229 V244 F247F173-F215 HydrophobicContact CB-CE2 4.25Å; F173-F215 AromaticContact CD1-CD2 3.87Å; F173-F215 HydrophobicContact CD1-CD2 3.87Å; F173-F215 AromaticContact CD1-CE2 3.67Å; F173-F215 HydrophobicContact CD1-CE2 3.67Å; F173-F215 HydrophobicContact CD1-CZ 4.24Å; F173-F215 HydrophobicContact CG-CE2 4.45Å; P174-F215 HydrophobicContact CG-CD2 3.62Å; P174-F215 HydrophobicContact CG-CE2 4.04Å; V175-F215 HydrophobicContact CG1-CE2 4.25Å; V175-F215 HydrophobicContact CG1-CZ 4.47Å; Q211-F215 WeakPolarHBondContact O-CB 3.49Å; Q211-F215 PolarHBondContact O-N 2.85Å; I213-F215 VanDerWaalsContact C-N 3.29Å; I213-F215 PolarHBondContact O-N 3.12Å; F215-L219 HydrophobicContact CE1-CD2 4.03Å; F215-L219 VanDerWaalsContact O-CB 3.25Å; F215-L219 WeakPolarHBondContact O-CB 3.44Å; F215-L219 PolarHBondContact O-N 2.88Å; F215-F229 HydrophobicContact CD1-CE2 4.04Å; F215-F229 AromaticContact CD1-CZ 4Å; F215-F229 HydrophobicContact CD1-CZ 4Å; F215-F229 HydrophobicContact CE1-CE2 4.24Å; F215-V244 HydrophobicContact CD1-CG2 3.87Å; F215-V244 HydrophobicContact CD2-CB 4.43Å; F215-V244 HydrophobicContact CD2-CG2 3.72Å; F215-V244 HydrophobicContact CE1-CB 3.89Å; F215-V244 HydrophobicContact CE1-CG1 3.78Å; F215-V244 HydrophobicContact CE1-CG2 3.69Å; F215-V244 HydrophobicContact CE2-CB 3.71Å; F215-V244 HydrophobicContact CE2-CG1 4.46Å; F215-V244 HydrophobicContact CE2-CG2 3.5Å; F215-V244 HydrophobicContact CG-CG2 3.91Å; F215-V244 HydrophobicContact CZ-CB 3.42Å; F215-V244 VanDerWaalsContact CZ-CB 3.42Å; F215-V244 HydrophobicContact CZ-CG1 3.69Å; F215-V244 HydrophobicContact CZ-CG2 3.51Å; F215-F247 HydrophobicContact CZ-CE1 4.29Å; F215-F247 HydrophobicContact CZ-CZ 4.32Å
216A95.5Very high95.1Very high38 Ų3858.6 Ų58.631%0.31431%0.311SS..Hα-helixtrans-65-41.4-177.600000112.2L212 I213 D214 L219 A220 F229L212-A216 PolarHBondContact O-N 2.94Å; L212-A216 VanDerWaalsContact O-N 3.14Å; I213-A216 PolarHBondContact O-N 2.84Å; I213-A216 VanDerWaalsContact O-N 3.13Å; D214-A216 PolarHBondContact O-N 3.27Å; A216-L219 PolarHBondContact O-N 3.23Å; A216-A220 PolarHBondContact O-N 3.21Å; A216-F229 HydrophobicContact CB-CE1 4.34Å
217V95.7Very high94.7Very high71 Ų7159.4 Ų59.443%0.4331%0.313SS..Hα-helixtrans-64.3-52.3177.3171.80000110.5I213 D214 L219 A220 E221I213-V217 HydrophobicContact CG2-CG2 4.26Å; I213-V217 WeakPolarHBondContact O-CG2 3.49Å; I213-V217 PolarHBondContact O-N 3.11Å; D214-V217 PolarHBondContact O-N 2.93Å; V217-L219 PolarHBondContact O-N 3.1Å; V217-A220 WeakPolarHBondContact O-CB 3.49Å; V217-A220 PolarHBondContact O-N 3.08Å; V217-E221 HydrophobicContact CG1-CG 4.38Å; V217-E221 WeakPolarHBondContact O-CG 3.48Å; V217-E221 PolarHBondContact O-N 3.02Å
218R96.1Very high94.4Very high69 Ų6958 Ų5826%0.2631%0.308SS..Hα-helixtrans-58.1-37.4177.8-73172.159.4-165.7-3.2111.8R171 Q172 F173 D214 E221 C222R171-R218 PolarHBondContact O-NH2 2.59Å; Q172-R218 PolarHBondContact O-NH2 3.35Å; F173-R218 HydrophobicContact CE1-CB 3.62Å; F173-R218 HydrophobicContact CZ-CB 3.62Å; D214-R218 WeakPolarHBondContact O-CB 3.36Å; D214-R218 VanDerWaalsContact O-CG 3.31Å; D214-R218 WeakPolarHBondContact O-CG 3.39Å; D214-R218 PolarHBondContact O-N 3.18Å; D214-R218 WeakPolarHBondContact OD2-CD 3.45Å; D214-R218 IonicContact OD2-NH1 3.45Å; D214-R218 PolarHBondContact OD2-NH1 3.12Å; R218-E221 PolarHBondContact O-N 3.16Å; R218-C222 PolarHBondContact O-N 3.18Å; R218-C222 PolarHBondContact O-SG 3.16Å
219L95Very high94.3Very high7 Ų761.2 Ų61.24%0.03732%0.322CS..Hα-helixtrans-63.6-44.8177.1-170.668.3000110.9L168 F173 F215 A216 V217 C222 G223 L224 H226L168-L219 HydrophobicContact CD1-CD1 4.31Å; L168-L219 HydrophobicContact CD2-CD1 3.45Å; L168-L219 VanDerWaalsContact CD2-CD1 3.45Å; F173-L219 HydrophobicContact CE1-CB 4.12Å; F173-L219 HydrophobicContact CE1-CD1 4.38Å; F215-L219 HydrophobicContact CE1-CD2 4.03Å; F215-L219 VanDerWaalsContact O-CB 3.25Å; F215-L219 WeakPolarHBondContact O-CB 3.44Å; F215-L219 PolarHBondContact O-N 2.88Å; A216-L219 PolarHBondContact O-N 3.23Å; V217-L219 PolarHBondContact O-N 3.1Å; L219-C222 CarbonylContact O-C 3.6Å; L219-C222 WeakPolarHBondContact O-CB 3.4Å; L219-C222 PolarHBondContact O-N 2.99Å; L219-G223 PolarHBondContact O-N 3.33Å; L219-L224 CarbonylContact C-O 3.54Å; L219-L224 HydrophobicContact CD1-CB 3.83Å; L219-L224 HydrophobicContact CD1-CD1 4.29Å; L219-L224 HydrophobicContact CG-CB 3.94Å; L219-L224 PolarHBondContact O-N 3.33Å; L219-H226 HydrophobicContact CD2-CB 3.93Å
220A93.2Very high94.1Very high39 Ų3956 Ų5632%0.32230%0.304SS..Hα-helixtrans-64.6-40.6176.100000112.4A216 V217 C222 G223 L224 T253A216-A220 PolarHBondContact O-N 3.21Å; V217-A220 WeakPolarHBondContact O-CB 3.49Å; V217-A220 PolarHBondContact O-N 3.08Å; A220-C222 VanDerWaalsContact C-N 3.26Å; A220-C222 PolarHBondContact O-N 2.84Å; A220-G223 VanDerWaalsContact O-CA 3.3Å; A220-G223 WeakPolarHBondContact O-CA 3.34Å; A220-G223 PolarHBondContact O-N 3.42Å; A220-L224 VanDerWaalsContact CA-O 3.3Å; A220-L224 WeakPolarHBondContact CA-O 3.36Å; A220-L224 PolarHBondContact N-O 2.8Å; A220-T253 HydrophobicContact CB-CG2 4.4Å
221E93.2Very high94Very high152 Ų15254.1 Ų54.171%0.7130%0.296SS*.Hα-helixtrans-61.9-34.2174.1-70.5178.6159.300112.2V217 R218 G223V217-E221 HydrophobicContact CG1-CG 4.38Å; V217-E221 WeakPolarHBondContact O-CG 3.48Å; V217-E221 PolarHBondContact O-N 3.02Å; R218-E221 PolarHBondContact O-N 3.16Å; E221-G223 PolarHBondContact O-N 3.44Å
222C90.8Very high93.7Very high59 Ų5956.9 Ų56.940%0.39931%0.307SS..THydrogen-bonded Turntrans-73.70.4170.8-67.80000113.4R218 L219 A220R218-C222 PolarHBondContact O-N 3.18Å; R218-C222 PolarHBondContact O-SG 3.16Å; L219-C222 CarbonylContact O-C 3.6Å; L219-C222 WeakPolarHBondContact O-CB 3.4Å; L219-C222 PolarHBondContact O-N 2.99Å; A220-C222 VanDerWaalsContact C-N 3.26Å; A220-C222 PolarHBondContact O-N 2.84Å
223G90.2Very high93.6Very high20 Ų2056.4 Ų56.421%0.20631%0.305CS..THydrogen-bonded Turntrans80.820.9177.600000114.3L219 A220 E221 S252 T253L219-G223 PolarHBondContact O-N 3.33Å; A220-G223 VanDerWaalsContact O-CA 3.3Å; A220-G223 WeakPolarHBondContact O-CA 3.34Å; A220-G223 PolarHBondContact O-N 3.42Å; E221-G223 PolarHBondContact O-N 3.44Å; G223-S252 CarbonylContact O-C 3.6Å; G223-S252 WeakPolarHBondContact O-CA 3.49Å; G223-S252 PolarHBondContact O-OG 2.83Å; G223-T253 VanDerWaalsContact CA-OG1 3.31Å; G223-T253 WeakPolarHBondContact CA-OG1 3.3Å; G223-T253 PolarHBondContact O-N 3.16Å; G223-T253 PolarHBondContact O-OG1 3.36Å
224L91.2Very high93.6Very high27 Ų2752.9 Ų52.914%0.14129%0.287CS..EExtended strand (participates in β ladder)trans-121.3151.1-177.8-67.1174.8000112.3F164 L168 L219 A220 V251F164-L224 HydrophobicContact CD1-CD1 4.13Å; F164-L224 HydrophobicContact CD1-CD2 4.35Å; F164-L224 HydrophobicContact CE1-CD1 4.19Å; F164-L224 HydrophobicContact CE1-CD2 3.6Å; F164-L224 HydrophobicContact CZ-CD2 3.95Å; L168-L224 HydrophobicContact CD2-CD1 4.33Å; L219-L224 CarbonylContact C-O 3.54Å; L219-L224 HydrophobicContact CD1-CB 3.83Å; L219-L224 HydrophobicContact CD1-CD1 4.29Å; L219-L224 HydrophobicContact CG-CB 3.94Å; L219-L224 PolarHBondContact O-N 3.33Å; A220-L224 VanDerWaalsContact CA-O 3.3Å; A220-L224 WeakPolarHBondContact CA-O 3.36Å; A220-L224 PolarHBondContact N-O 2.8Å; L224-V251 CarbonylContact C-O 3.59Å; L224-V251 WeakPolarHBondContact CA-O 3.29Å
225I91.1Very high93.6Very high51 Ų5150.2 Ų50.226%0.26227%0.272SS..EExtended strand (participates in β ladder)trans-131.3129.8172.2-56171.6000106.9C227 A250 V251 T253I225-C227 VanDerWaalsContact C-N 3.31Å; I225-C227 PolarHBondContact O-N 3.06Å; I225-A250 CarbonylContact O-C 3.21Å; I225-A250 WeakPolarHBondContact O-CA 3.45Å; I225-A250 WeakPolarHBondContact O-CB 3.16Å; I225-V251 HydrophobicContact CB-CG2 4.07Å; I225-V251 HydrophobicContact CD1-CG2 4.49Å; I225-V251 PolarHBondContact N-O 3.04Å; I225-V251 PolarHBondContact O-N 3.48Å; I225-T253 HydrophobicContact CD1-CG2 4.08Å; I225-T253 HydrophobicContact CG1-CG2 3.75Å
226H91.7Very high93.6Very high5 Ų550.5 Ų50.52%0.02328%0.275CS..  trans-65.4-33.9-178.7-169-61.6000113L219 D228 F229 I245 D246 F247L219-H226 HydrophobicContact CD2-CB 3.93Å; H226-D228 PolarHBondContact CE1-O 3.49Å; H226-D228 PolarHBondContact ND1-N 2.56Å; H226-D228 PolarHBondContact O-N 3.06Å; H226-F229 HydrophobicContact CB-CB 4.18Å; H226-I245 PolarHBondContact CE1-O 3.35Å; H226-I245 PolarHBondContact NE2-O 3.38Å; H226-D246 PolarHBondContact CE1-O 3.17Å; H226-D246 PolarHBondContact NE2-O 3.42Å; H226-F247 AromaticContact CD2-CD1 3.77Å; H226-F247 AromaticContact CD2-CE1 3.5Å; H226-F247 VanDerWaalsContact CD2-CE1 3.5Å; H226-F247 WeakPolarHBondContact CD2-CE1 3.38Å; H226-F247 AromaticContact NE2-CE1 3.86Å
227C89.4Confident93.6Very high75 Ų7549.8 Ų49.851%0.50727%0.266SS..SBendtrans63.2-3.7-177.1-66.40000117.1I225 Q249 V251I225-C227 VanDerWaalsContact C-N 3.31Å; I225-C227 PolarHBondContact O-N 3.06Å; C227-Q249 HydrophobicContact CB-CB 4.3Å; C227-Q249 WeakPolarHBondContact CB-O 3.45Å; C227-V251 WeakPolarHBondContact SG-CG2 3.29Å
228D90.8Very high93.5Very high67 Ų6751.4 Ų51.436%0.35828%0.281SS..  trans-14641.5177.1-161.324.6000110.5H226 N230 N233H226-D228 PolarHBondContact CE1-O 3.49Å; H226-D228 PolarHBondContact ND1-N 2.56Å; H226-D228 PolarHBondContact O-N 3.06Å; D228-N230 PolarHBondContact O-N 3.03Å; D228-N230 PolarHBondContact O-ND2 2.7Å; D228-N230 PolarHBondContact OD1-ND2 2.97Å; D228-N233 PolarHBondContact O-ND2 3.26Å; D228-N233 PolarHBondContact OD2-ND2 2.84Å
229F93.6Very high93.3Very high81 Ų8154.7 Ų54.736%0.35530%0.299SS..  trans-80.897.4-178.5-165.7-130.7000109.4L212 F215 A216 H226 V234 V244L212-F229 HydrophobicContact CB-CE1 4.48Å; L212-F229 HydrophobicContact CB-CZ 4.29Å; L212-F229 HydrophobicContact CD2-CE2 4.38Å; L212-F229 HydrophobicContact CD2-CZ 3.72Å; F215-F229 HydrophobicContact CD1-CE2 4.04Å; F215-F229 AromaticContact CD1-CZ 4Å; F215-F229 HydrophobicContact CD1-CZ 4Å; F215-F229 HydrophobicContact CE1-CE2 4.24Å; A216-F229 HydrophobicContact CB-CE1 4.34Å; H226-F229 HydrophobicContact CB-CB 4.18Å; F229-V234 HydrophobicContact CD2-CG2 4.25Å; F229-V234 HydrophobicContact CE2-CG2 3.66Å; F229-V234 HydrophobicContact CZ-CG2 4.24Å; F229-V244 HydrophobicContact CD2-CG1 3.98Å; F229-V244 HydrophobicContact CE2-CB 4.42Å; F229-V244 HydrophobicContact CE2-CG1 3.79Å; F229-V244 HydrophobicContact CE2-CG2 3.7Å; F229-V244 HydrophobicContact CZ-CG2 4.39Å
230N94.2Very high93.2Very high41 Ų4155.8 Ų55.822%0.21931%0.312CS..SBendtrans-142.2173.1-174.867.850.3000110.6D228 F232 N233 V234D228-N230 PolarHBondContact O-N 3.03Å; D228-N230 PolarHBondContact O-ND2 2.7Å; D228-N230 PolarHBondContact OD1-ND2 2.97Å; N230-F232 PolarHBondContact O-N 3.22Å; N230-F232 VanDerWaalsContact O-N 3.1Å; N230-F232 WeakPolarHBondContact OD1-CA 3.18Å; N230-F232 WeakPolarHBondContact OD1-CB 3.41Å; N230-F232 PolarHBondContact OD1-N 2.97Å; N230-N233 PolarHBondContact O-N 2.89Å; N230-N233 PolarHBondContact OD1-N 3.48Å; N230-V234 PolarHBondContact O-N 2.95Å
231E94.5Very high93.3Very high95 Ų9557.1 Ų57.144%0.44431%0.313SS..THydrogen-bonded Turntrans-63.9-13.4-175.967.5-87-159.600115L196 A197L196-E231 CarbonylContact C-O 3.57Å; L196-E231 WeakPolarHBondContact CA-O 3.4Å; L196-E231 HydrophobicContact CB-CB 4.21Å; L196-E231 WeakPolarHBondContact CB-O 3.47Å; L196-E231 HydrophobicContact CD2-CB 4.36Å; L196-E231 HydrophobicContact CG-CB 4.28Å; L196-E231 PolarHBondContact N-O 2.77Å; L196-E231 VanDerWaalsContact N-O 3.07Å; A197-E231 HydrophobicContact CB-CB 4.11Å; A197-E231 HydrophobicContact CB-CG 3.58Å; A197-E231 PolarHBondContact N-O 2.88Å
232F92.9Very high93.5Very high112 Ų11250.2 Ų50.249%0.49128%0.282SS..THydrogen-bonded Turntrans-90.7-21.5175.2-57.1-81.3000112.9A197 N230A197-F232 HydrophobicContact CB-CD1 3.63Å; A197-F232 HydrophobicContact CB-CE1 3.46Å; A197-F232 VanDerWaalsContact CB-CE1 3.46Å; A197-F232 HydrophobicContact CB-CG 4.27Å; A197-F232 HydrophobicContact CB-CZ 3.97Å; N230-F232 PolarHBondContact O-N 3.22Å; N230-F232 VanDerWaalsContact O-N 3.1Å; N230-F232 WeakPolarHBondContact OD1-CA 3.18Å; N230-F232 WeakPolarHBondContact OD1-CB 3.41Å; N230-F232 PolarHBondContact OD1-N 2.97Å
233N94.8Very high93.9Very high14 Ų1448.9 Ų48.98%0.07527%0.27CS..SBendtrans-101.28.9-178.7-70.8-23.5000112.9D228 N230 I245D228-N233 PolarHBondContact O-ND2 3.26Å; D228-N233 PolarHBondContact OD2-ND2 2.84Å; N230-N233 PolarHBondContact O-N 2.89Å; N230-N233 PolarHBondContact OD1-N 3.48Å; N233-I245 HydrophobicContact CB-CG1 4.44Å; N233-I245 WeakPolarHBondContact O-CG1 3.24Å; N233-I245 PolarHBondContact O-N 3.47Å
234V97.1Very high94.2Very high4 Ų447.9 Ų47.92%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-116.7117.6171.6177.70000107.8P195 L196 L212 F229 N230 P242P195-V234 CarbonylContact C-O 3.54Å; P195-V234 WeakPolarHBondContact CA-O 3.36Å; L196-V234 HydrophobicContact CB-CB 4.14Å; L196-V234 HydrophobicContact CB-CG1 4.29Å; L196-V234 HydrophobicContact CD2-CB 4.47Å; L196-V234 HydrophobicContact CD2-CG1 4.43Å; L196-V234 PolarHBondContact N-O 2.98Å; L212-V234 HydrophobicContact CD2-CG1 3.76Å; L212-V234 HydrophobicContact CD2-CG2 3.95Å; F229-V234 HydrophobicContact CD2-CG2 4.25Å; F229-V234 HydrophobicContact CE2-CG2 3.66Å; F229-V234 HydrophobicContact CZ-CG2 4.24Å; N230-V234 PolarHBondContact O-N 2.95Å; V234-P242 HydrophobicContact CG1-CB 3.86Å
235L97Very high94.3Very high22 Ų2248.6 Ų48.612%0.11526%0.264CS..EExtended strand (participates in β ladder)trans-92133.4168.8-56.9179.1000108.6V191 V194 P195 P242 I243 I245V191-L235 HydrophobicContact CB-CD1 3.87Å; V191-L235 HydrophobicContact CG1-CB 4.33Å; V191-L235 HydrophobicContact CG1-CD1 3.94Å; V194-L235 CarbonylContact O-C 3.57Å; V194-L235 WeakPolarHBondContact O-CA 3.49Å; P195-L235 HydrophobicContact CB-CD2 4.37Å; P195-L235 HydrophobicContact CG-CD2 3.85Å; L235-P242 CarbonylContact O-C 3.55Å; L235-P242 WeakPolarHBondContact O-CA 3.38Å; L235-I243 HydrophobicContact CB-CB 4.43Å; L235-I243 PolarHBondContact N-O 3.31Å; L235-I243 PolarHBondContact O-N 3.32Å; L235-I245 HydrophobicContact CD1-CD1 4.28Å; L235-I245 HydrophobicContact CD1-CG2 4.01Å; L235-I245 HydrophobicContact CD2-CD1 4.2Å; L235-I245 HydrophobicContact CG-CD1 4.12Å; L235-I245 HydrophobicContact CG-CG2 4.33Å
236V97.4Very high94.3Very high12 Ų1248.2 Ų48.27%0.07326%0.262CS..EExtended strand (participates in β ladder)trans-104.2120.7173.8-175.60000107.9G193 V194 L196 V199 N241G193-V236 CarbonylContact C-O 3.53Å; G193-V236 WeakPolarHBondContact CA-O 3.47Å; V194-V236 PolarHBondContact N-O 3.41Å; V194-V236 PolarHBondContact O-N 3.26Å; L196-V236 HydrophobicContact CB-CG2 4.18Å; L196-V236 HydrophobicContact CD1-CG2 3.79Å; V199-V236 HydrophobicContact CG2-CB 3.96Å; V199-V236 HydrophobicContact CG2-CG2 3.96Å; V236-N241 WeakPolarHBondContact CA-O 3.37Å
237T96Very high94Very high23 Ų2348 Ų4814%0.14126%0.261CS..EExtended strand (participates in β ladder)trans-72.9168.8177.674.50000110.9V191 E239 G240 N241 I243V191-T237 HydrophobicContact CG1-CG2 4.42Å; T237-E239 WeakPolarHBondContact CB-OE2 3.22Å; T237-E239 PolarHBondContact O-N 3.32Å; T237-E239 PolarHBondContact OG1-N 3.24Å; T237-E239 PolarHBondContact OG1-OE2 3.48Å; T237-G240 PolarHBondContact O-N 3.37Å; T237-N241 PolarHBondContact N-O 3.23Å; T237-N241 PolarHBondContact OG1-N 3.36Å; T237-I243 HydrophobicContact CG2-CG1 3.89Å
238S92.7Very high93.5Very high105 Ų10545.3 Ų45.373%0.73424%0.243SC*.THydrogen-bonded Turntrans-61.6-24.3177.570.40000113.8G240S238-G240 VanDerWaalsContact C-N 3.26Å; S238-G240 PolarHBondContact O-N 2.94Å
239E92.1Very high93Very high138 Ų13846.8 Ų46.865%0.64525%0.248SC*.THydrogen-bonded Turntrans-81.1-3.2173.9-52.777.4-167.400113.2T237T237-E239 WeakPolarHBondContact CB-OE2 3.22Å; T237-E239 PolarHBondContact O-N 3.32Å; T237-E239 PolarHBondContact OG1-N 3.24Å; T237-E239 PolarHBondContact OG1-OE2 3.48Å
240G93.2Very high92.6Very high29 Ų2943 Ų4330%0.29923%0.232SC..SBendtrans87.77179.700000115T237 S238T237-G240 PolarHBondContact O-N 3.37Å; S238-G240 VanDerWaalsContact C-N 3.26Å; S238-G240 PolarHBondContact O-N 2.94Å
241N95.5Very high92.2Very high67 Ų6742.8 Ų42.836%0.35823%0.232SC..  trans-84.1138.6-178.5-64.6-58.8000111.7Q211 V236 T237Q211-N241 PolarHBondContact NE2-OD1 3.29Å; V236-N241 WeakPolarHBondContact CA-O 3.37Å; T237-N241 PolarHBondContact N-O 3.23Å; T237-N241 PolarHBondContact OG1-N 3.36Å
242P97.5Very high91.7Very high8 Ų840.9 Ų40.95%0.05223%0.229CC..EExtended strand (participates in β ladder)trans-82.7132.817630.8-32.9000111.5P174 L208 Q211 L212 V234 L235P174-P242 VanDerWaalsContact CB-O 3.26Å; P174-P242 WeakPolarHBondContact CB-O 3.29Å; L208-P242 HydrophobicContact CD1-CB 3.86Å; L208-P242 HydrophobicContact CD1-CG 3.89Å; Q211-P242 HydrophobicContact CB-CG 3.75Å; L212-P242 HydrophobicContact CD2-CB 3.59Å; L212-P242 HydrophobicContact CD2-CG 4.09Å; L212-P242 HydrophobicContact CG-CB 4.24Å; L212-P242 HydrophobicContact CG-CG 4.37Å; V234-P242 HydrophobicContact CG1-CB 3.86Å; L235-P242 CarbonylContact O-C 3.55Å; L235-P242 WeakPolarHBondContact O-CA 3.38Å
243I97.9Very high91.3Very high30 Ų3036.7 Ų36.715%0.15421%0.213CC..EExtended strand (participates in β ladder)trans-117.7125.7168.1-55.1-62000108.8P174 P176 V191 L235 T237P174-I243 HydrophobicContact CB-CD1 3.8Å; P174-I243 WeakPolarHBondContact O-CA 3.45Å; P176-I243 HydrophobicContact CG-CG2 4.31Å; V191-I243 HydrophobicContact CG1-CB 4.06Å; V191-I243 HydrophobicContact CG1-CG1 3.86Å; V191-I243 HydrophobicContact CG1-CG2 4.22Å; V191-I243 HydrophobicContact CG2-CG2 3.99Å; L235-I243 HydrophobicContact CB-CB 4.43Å; L235-I243 PolarHBondContact N-O 3.31Å; L235-I243 PolarHBondContact O-N 3.32Å; T237-I243 HydrophobicContact CG2-CG1 3.89Å
244V97Very high90.8Very high0 Ų045 Ų450%025%0.248CC..EExtended strand (participates in β ladder)trans-98135-174.7-172.70000110.9P174 F215 F229 F247P174-V244 PolarHBondContact O-N 2.68Å; F215-V244 HydrophobicContact CD1-CG2 3.87Å; F215-V244 HydrophobicContact CD2-CB 4.43Å; F215-V244 HydrophobicContact CD2-CG2 3.72Å; F215-V244 HydrophobicContact CE1-CB 3.89Å; F215-V244 HydrophobicContact CE1-CG1 3.78Å; F215-V244 HydrophobicContact CE1-CG2 3.69Å; F215-V244 HydrophobicContact CE2-CB 3.71Å; F215-V244 HydrophobicContact CE2-CG1 4.46Å; F215-V244 HydrophobicContact CE2-CG2 3.5Å; F215-V244 HydrophobicContact CG-CG2 3.91Å; F215-V244 HydrophobicContact CZ-CB 3.42Å; F215-V244 VanDerWaalsContact CZ-CB 3.42Å; F215-V244 HydrophobicContact CZ-CG1 3.69Å; F215-V244 HydrophobicContact CZ-CG2 3.51Å; F229-V244 HydrophobicContact CD2-CG1 3.98Å; F229-V244 HydrophobicContact CE2-CB 4.42Å; F229-V244 HydrophobicContact CE2-CG1 3.79Å; F229-V244 HydrophobicContact CE2-CG2 3.7Å; F229-V244 HydrophobicContact CZ-CG2 4.39Å; V244-F247 HydrophobicContact CB-CZ 4.22Å; V244-F247 HydrophobicContact CG1-CE1 4.3Å; V244-F247 HydrophobicContact CG1-CZ 3.96Å; V244-F247 WeakPolarHBondContact O-CE2 3.33Å
245I94.7Very high89.8Confident41 Ų4148.6 Ų48.621%0.2126%0.264CS..  trans-128.2168.4-176.163.4168.7000112P176 H226 N233 L235P176-I245 HydrophobicContact CG-CG2 3.77Å; H226-I245 PolarHBondContact CE1-O 3.35Å; H226-I245 PolarHBondContact NE2-O 3.38Å; N233-I245 HydrophobicContact CB-CG1 4.44Å; N233-I245 WeakPolarHBondContact O-CG1 3.24Å; N233-I245 PolarHBondContact O-N 3.47Å; L235-I245 HydrophobicContact CD1-CD1 4.28Å; L235-I245 HydrophobicContact CD1-CG2 4.01Å; L235-I245 HydrophobicContact CD2-CD1 4.2Å; L235-I245 HydrophobicContact CG-CD1 4.12Å; L235-I245 HydrophobicContact CG-CG2 4.33Å
246D89.7Confident88.8Confident43 Ų4353.1 Ų53.123%0.2330%0.295CS..  trans67.478.2172.9-154.117.4000116K123 H226 P248K123-D246 IonicContact NZ-OD1 2.85Å; K123-D246 PolarHBondContact NZ-OD1 3Å; H226-D246 PolarHBondContact CE1-O 3.17Å; H226-D246 PolarHBondContact NE2-O 3.42Å; D246-P248 WeakPolarHBondContact O-CD 3.36Å; D246-P248 WeakPolarHBondContact OD1-CD 3.36Å; D246-P248 VanDerWaalsContact OD1-CG 3.28Å; D246-P248 WeakPolarHBondContact OD1-CG 3.46Å
247F85.4Confident87.8Confident1 Ų159.3 Ų59.30%0.00433%0.328CS..  trans-98.814.3-178.4-58.2-87.2000118.1E161 F164 L168 V175 F215 H226 V244 Q249 A250E161-F247 HydrophobicContact CG-CB 4.4Å; F164-F247 HydrophobicContact CB-CB 4.32Å; L168-F247 HydrophobicContact CD1-CD1 3.73Å; L168-F247 HydrophobicContact CD1-CE1 3.39Å; L168-F247 HydrophobicContact CD1-CE2 4.25Å; L168-F247 HydrophobicContact CD1-CG 4.29Å; L168-F247 HydrophobicContact CD1-CZ 3.7Å; V175-F247 HydrophobicContact CB-CE2 4.41Å; V175-F247 HydrophobicContact CG1-CE2 3.92Å; V175-F247 HydrophobicContact CG1-CZ 3.56Å; F215-F247 HydrophobicContact CZ-CE1 4.29Å; F215-F247 HydrophobicContact CZ-CZ 4.32Å; H226-F247 AromaticContact CD2-CD1 3.77Å; H226-F247 AromaticContact CD2-CE1 3.5Å; H226-F247 VanDerWaalsContact CD2-CE1 3.5Å; H226-F247 WeakPolarHBondContact CD2-CE1 3.38Å; H226-F247 AromaticContact NE2-CE1 3.86Å; V244-F247 HydrophobicContact CB-CZ 4.22Å; V244-F247 HydrophobicContact CG1-CE1 4.3Å; V244-F247 HydrophobicContact CG1-CZ 3.96Å; V244-F247 WeakPolarHBondContact O-CE2 3.33Å; F247-Q249 PolarHBondContact O-N 3.48Å; F247-A250 HydrophobicContact CB-CB 4.44Å; F247-A250 WeakPolarHBondContact O-CB 3.35Å; F247-A250 PolarHBondContact O-N 2.81Å; F247-A250 VanDerWaalsContact O-N 3.14Å
248P78.5Confident86Confident19 Ų1959.8 Ų59.812%0.12333%0.332CS..THydrogen-bonded Turntrans-65.7-28.6-174.127.8-33.1000112.7K160 D246K160-P248 PolarHBondContact NZ-O 3.36Å; D246-P248 WeakPolarHBondContact O-CD 3.36Å; D246-P248 WeakPolarHBondContact OD1-CD 3.36Å; D246-P248 VanDerWaalsContact OD1-CG 3.28Å; D246-P248 WeakPolarHBondContact OD1-CG 3.46Å
249Q81.2Confident84.6Confident97 Ų9763.8 Ų63.845%0.45334%0.339SS..THydrogen-bonded Turntrans-87.5-0.5179.2-58.1-58.9-23.900113.7C227 F247 V251C227-Q249 HydrophobicContact CB-CB 4.3Å; C227-Q249 WeakPolarHBondContact CB-O 3.45Å; F247-Q249 PolarHBondContact O-N 3.48Å; Q249-V251 WeakPolarHBondContact O-CG1 3.46Å; Q249-V251 PolarHBondContact O-N 3Å
250A85.1Confident82.9Confident3 Ų366.8 Ų66.83%0.02536%0.359CS..  trans-62135.7-179.200000111.5K160 F164 I225 F247K160-A250 PolarHBondContact NZ-O 3.4Å; F164-A250 HydrophobicContact CD2-CB 4.02Å; F164-A250 HydrophobicContact CE2-CB 3.74Å; F164-A250 HydrophobicContact CZ-CB 4.44Å; I225-A250 CarbonylContact O-C 3.21Å; I225-A250 WeakPolarHBondContact O-CA 3.45Å; I225-A250 WeakPolarHBondContact O-CB 3.16Å; F247-A250 HydrophobicContact CB-CB 4.44Å; F247-A250 WeakPolarHBondContact O-CB 3.35Å; F247-A250 PolarHBondContact O-N 2.81Å; F247-A250 VanDerWaalsContact O-N 3.14Å
251V85.2Confident82.3Confident36 Ų3668.7 Ų68.722%0.21836%0.361CS..EExtended strand (participates in β ladder)trans-124.5165.3-179.5-56.10000110.7L224 I225 C227 Q249 H255L224-V251 CarbonylContact C-O 3.59Å; L224-V251 WeakPolarHBondContact CA-O 3.29Å; I225-V251 HydrophobicContact CB-CG2 4.07Å; I225-V251 HydrophobicContact CD1-CG2 4.49Å; I225-V251 PolarHBondContact N-O 3.04Å; I225-V251 PolarHBondContact O-N 3.48Å; C227-V251 WeakPolarHBondContact SG-CG2 3.29Å; Q249-V251 WeakPolarHBondContact O-CG1 3.46Å; Q249-V251 PolarHBondContact O-N 3Å; V251-H255 HydrophobicContact CB-CB 4.26Å; V251-H255 HydrophobicContact CG2-CB 4.13Å
252S85.7Confident81.6Confident55 Ų5568.7 Ų68.739%0.38536%0.362SS..EExtended strand (participates in β ladder)trans-76149.3172.2179.30000111.2G223 K254 H255G223-S252 CarbonylContact O-C 3.6Å; G223-S252 WeakPolarHBondContact O-CA 3.49Å; G223-S252 PolarHBondContact O-OG 2.83Å; S252-K254 PolarHBondContact O-N 2.9Å; S252-K254 VanDerWaalsContact O-N 3.08Å; S252-K254 PolarHBondContact OG-N 3.12Å; S252-H255 WeakPolarHBondContact O-CB 3.35Å; S252-H255 PolarHBondContact O-N 3.46Å
253T83.9Confident80.8Confident24 Ų2472.1 Ų72.115%0.14738%0.379CS..THydrogen-bonded Turntrans-63.1-5.4166.7550000114.1A220 G223 I225 S258A220-T253 HydrophobicContact CB-CG2 4.4Å; G223-T253 VanDerWaalsContact CA-OG1 3.31Å; G223-T253 WeakPolarHBondContact CA-OG1 3.3Å; G223-T253 PolarHBondContact O-N 3.16Å; G223-T253 PolarHBondContact O-OG1 3.36Å; I225-T253 HydrophobicContact CD1-CG2 4.08Å; I225-T253 HydrophobicContact CG1-CG2 3.75Å; T253-S258 PolarHBondContact O-OG 2.98Å
254K83.5Confident79.7Confident188 Ų18874.6 Ų74.682%0.81739%0.392SS*.THydrogen-bonded Turntrans-94.15.6170.6-61.4-178.3179.9178.60112.8S252S252-K254 PolarHBondContact O-N 2.9Å; S252-K254 VanDerWaalsContact O-N 3.08Å; S252-K254 PolarHBondContact OG-N 3.12Å
255H77.7Confident78.7Confident79 Ų7979.3 Ų79.337%0.36642%0.417SS..SBendtrans-67.9140.9-179-172-89.6000109.9V251 S252 N257 S258V251-H255 HydrophobicContact CB-CB 4.26Å; V251-H255 HydrophobicContact CG2-CB 4.13Å; S252-H255 WeakPolarHBondContact O-CB 3.35Å; S252-H255 PolarHBondContact O-N 3.46Å; H255-N257 PolarHBondContact ND1-N 2.78Å; H255-N257 PolarHBondContact O-N 3.05Å; H255-S258 PolarHBondContact O-N 2.76Å; H255-S258 PolarHBondContact O-OG 3.16Å
256P74.5Confident77.6Confident118 Ų11881.8 Ų81.877%0.76643%0.43SS*.THydrogen-bonded Turntrans-57-19.9-176.1-27.534.7000115.7
257N76Confident76.7Confident141 Ų14184.6 Ų84.675%0.75445%0.445SS*.THydrogen-bonded Turntrans-103.69.9179.3-58.3-14.2000113.3H255H255-N257 PolarHBondContact ND1-N 2.78Å; H255-N257 PolarHBondContact O-N 3.05Å
258S60Low76.1Confident33 Ų3391 Ų9123%0.23148%0.479CS..  trans-86.1119.3172.657.60000109.7T253 H255T253-S258 PolarHBondContact O-OG 2.98Å; H255-S258 PolarHBondContact O-N 2.76Å; H255-S258 PolarHBondContact O-OG 3.16Å
259E61.9Low75.9Confident189 Ų18997 Ų9788%0.88351%0.508SS*.  trans-86.9132158.1-116171.7172.300107.4
260L55.8Low75.4Confident201 Ų20197 Ų97100%1.05251%0.513SS*.  trans-92.70172.1-82.1165.8000109.2

Retrieved 260 of 260 residues in 107.6 ms (Link to these results)

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