A0A077ZHR9_TRITR Loading...

Nondiscriminating glutamyl-tRNA synthetase EARS2, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZHR9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 485 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
1M59.9Low92.1Very high243 Ų24351.1 Ų51.1100%1.19728%0.275SS*.  0143.60-75.4172.6176.800108
2S79.3Confident92.1Very high90 Ų9047.6 Ų47.663%0.62926%0.257SS*.PPolyproline II helixtrans-63.8142.1169.649.90000109.4I4S2-I4 PolarHBondContact O-N 2.76Å
3K93.1Very high92Very high110 Ų11048 Ų4848%0.47826%0.262SS..PPolyproline II helixtrans-52.3135.2173.7-169.8176.6-176.6-174.30109.6R5 D35 E37 T210K3-R5 PolarHBondContact O-N 3.41Å; K3-D35 WeakPolarHBondContact CE-O 3.37Å; K3-E37 HydrophobicContact CD-CG 4.27Å; K3-E37 VanDerWaalsContact NZ-CD 3.26Å; K3-E37 IonicContact NZ-OE1 3.68Å; K3-E37 PolarHBondContact NZ-OE1 3.09Å; K3-T210 WeakPolarHBondContact O-CG2 3.49Å
4I97.8Very high91.6Very high30 Ų3045.2 Ų45.215%0.15425%0.25CS..PPolyproline II helixtrans-63.9130.4176.9-66.6-65.6000108.6S2 V6 F30 N34 G36 E37 H211S2-I4 PolarHBondContact O-N 2.76Å; I4-V6 HydrophobicContact CG2-CG1 4.13Å; I4-F30 HydrophobicContact CD1-CE1 4.39Å; I4-F30 HydrophobicContact CG2-CD1 3.96Å; I4-F30 HydrophobicContact CG2-CE1 3.63Å; I4-N34 HydrophobicContact CB-CB 4.35Å; I4-N34 HydrophobicContact CG1-CB 3.92Å; I4-G36 CarbonylContact O-C 3.49Å; I4-G36 WeakPolarHBondContact O-CA 3.31Å; I4-E37 PolarHBondContact O-N 3.04Å; I4-H211 WeakPolarHBondContact CD1-CE1 3.15Å
5R98.5Very high91.6Very high12 Ų1247.1 Ų47.15%0.04526%0.256CS..EExtended strand (participates in β ladder)trans-137120.5176.7-69.8-176.856.690.93108.1K3 E37 I39 E71 Y79 M207 K208 I209 T210 H211K3-R5 PolarHBondContact O-N 3.41Å; R5-E37 WeakPolarHBondContact CA-O 3.3Å; R5-E37 WeakPolarHBondContact CD-OE2 3.41Å; R5-E37 HydrophobicContact CG-CB 4.23Å; R5-E37 WeakPolarHBondContact CG-OE2 3.35Å; R5-E37 IonicContact CZ-OE2 3.23Å; R5-E37 IonicContact NE-OE2 2.84Å; R5-E37 IonicContact NH1-OE2 2.83Å; R5-E37 PolarHBondContact NH1-OE2 3.35Å; R5-I39 HydrophobicContact CB-CD1 4.17Å; R5-E71 IonicContact CZ-OE1 3.16Å; R5-E71 IonicContact CZ-OE2 3.34Å; R5-E71 IonicContact NH1-OE1 3.43Å; R5-E71 PolarHBondContact NH1-OE1 2.89Å; R5-E71 IonicContact NH1-OE2 3.67Å; R5-E71 IonicContact NH2-OE1 2.82Å; R5-E71 PolarHBondContact NH2-OE1 3.49Å; R5-E71 IonicContact NH2-OE2 2.86Å; R5-E71 PolarHBondContact NH2-OE2 2.88Å; R5-Y79 VanDerWaalsContact NH2-CD2 3.25Å; R5-M207 PolarHBondContact NE-O 3.45Å; R5-M207 PolarHBondContact NH2-O 3.26Å; R5-K208 WeakPolarHBondContact CB-O 3.45Å; R5-I209 HydrophobicContact CB-CD1 4.48Å; R5-I209 WeakPolarHBondContact O-CA 3.31Å; R5-T210 PolarHBondContact N-OG1 2.65Å; R5-T210 VanDerWaalsContact N-OG1 3.09Å; R5-T210 PolarHBondContact O-N 2.74Å; R5-T210 PolarHBondContact O-OG1 2.74Å; R5-H211 PolarHBondContact O-N 3.49Å
6V98.7Very high91.7Very high0 Ų044.3 Ų44.30%024%0.241CC..EExtended strand (participates in β ladder)trans-131.1163.2-179.4-62.80000109.9I4 N27 F30 A31 E37 F38 I39 H211I4-V6 HydrophobicContact CG2-CG1 4.13Å; V6-N27 HydrophobicContact CB-CB 4.39Å; V6-N27 WeakPolarHBondContact CB-OD1 3.47Å; V6-N27 HydrophobicContact CG2-CB 4.01Å; V6-N27 VanDerWaalsContact CG2-O 3.24Å; V6-N27 WeakPolarHBondContact CG2-O 3.37Å; V6-F30 HydrophobicContact CG1-CD1 3.66Å; V6-F30 HydrophobicContact CG1-CE1 3.98Å; V6-A31 HydrophobicContact CG2-CB 3.73Å; V6-E37 PolarHBondContact N-O 3.13Å; V6-F38 HydrophobicContact CG2-CD2 4.24Å; V6-I39 WeakPolarHBondContact O-CD1 3.35Å; V6-I39 PolarHBondContact O-N 3.42Å; V6-H211 HydrophobicContact CG1-CB 3.73Å; V6-H211 WeakPolarHBondContact CG1-O 3.48Å
7R98.7Very high91.6Very high6 Ų643.7 Ų43.72%0.02324%0.236CC..EExtended strand (participates in β ladder)trans-138.8141.1-174.282.5-60173.9-83.3-8.3113.1A9 N27 I39 D204 I209R7-A9 HydrophobicContact CG-CB 3.96Å; R7-N27 PolarHBondContact O-OD1 3.26Å; R7-I39 CarbonylContact C-O 2.99Å; R7-I39 WeakPolarHBondContact CA-O 3.41Å; R7-I39 HydrophobicContact CB-CB 4.16Å; R7-D204 IonicContact NE-OD1 2.82Å; R7-D204 PolarHBondContact NE-OD1 3.36Å; R7-D204 IonicContact NE-OD2 3.44Å; R7-I209 HydrophobicContact CB-CD1 3.92Å; R7-I209 HydrophobicContact CG-CD1 4.41Å
8Y98.6Very high91.7Very high5 Ų541.3 Ų41.32%0.0222%0.223CC..EExtended strand (participates in β ladder)trans-93.1121.8155.3180-122.7000109.1P10 N20 T23 A24 I39 I40 R41 Q58 L62Y8-P10 VanDerWaalsContact C-CD 3.44Å; Y8-P10 HydrophobicContact CD1-CG 3.88Å; Y8-P10 HydrophobicContact CE1-CB 3.78Å; Y8-P10 HydrophobicContact CE1-CG 3.43Å; Y8-P10 VanDerWaalsContact CE1-CG 3.43Å; Y8-P10 HydrophobicContact CE2-CB 4.42Å; Y8-P10 WeakPolarHBondContact O-CD 3.42Å; Y8-N20 HydrophobicContact CE2-CB 4.48Å; Y8-N20 WeakPolarHBondContact CE2-O 3.49Å; Y8-N20 WeakPolarHBondContact OH-CB 3.38Å; Y8-T23 HydrophobicContact CD2-CG2 4.34Å; Y8-A24 HydrophobicContact CD1-CB 3.94Å; Y8-A24 HydrophobicContact CD2-CB 3.63Å; Y8-A24 HydrophobicContact CE1-CB 4.24Å; Y8-A24 HydrophobicContact CE2-CB 3.96Å; Y8-A24 HydrophobicContact CG-CB 3.62Å; Y8-I39 PolarHBondContact N-O 2.74Å; Y8-I40 HydrophobicContact CD1-CD1 4.08Å; Y8-I40 WeakPolarHBondContact O-CA 3.47Å; Y8-R41 PolarHBondContact O-N 2.92Å; Y8-Q58 PolarHBondContact OH-OE1 3.33Å; Y8-L62 HydrophobicContact CD1-CD1 3.57Å; Y8-L62 HydrophobicContact CE1-CD1 3.63Å
9A97.9Very high91.6Very high18 Ų1839.8 Ų39.815%0.14922%0.218CC..  trans-123.766.7-169.300000112R7 R41 E43R7-A9 HydrophobicContact CG-CB 3.96Å; A9-R41 CarbonylContact C-O 3.51Å; A9-R41 WeakPolarHBondContact CA-O 3.28Å; A9-E43 HydrophobicContact CB-CG 4.07Å; A9-E43 VanDerWaalsContact CB-OE1 3.29Å; A9-E43 WeakPolarHBondContact CB-OE1 3.26Å
10P96.2Very high91.7Very high5 Ų540.1 Ų40.13%0.03222%0.219CC..  trans-77.3141.6-177.931-35.5000112.4Y8 R41 I42 E43 Q58Y8-P10 VanDerWaalsContact C-CD 3.44Å; Y8-P10 HydrophobicContact CD1-CG 3.88Å; Y8-P10 HydrophobicContact CE1-CB 3.78Å; Y8-P10 HydrophobicContact CE1-CG 3.43Å; Y8-P10 VanDerWaalsContact CE1-CG 3.43Å; Y8-P10 HydrophobicContact CE2-CB 4.42Å; Y8-P10 WeakPolarHBondContact O-CD 3.42Å; P10-R41 VanDerWaalsContact CD-O 3.31Å; P10-R41 WeakPolarHBondContact CD-O 3.22Å; P10-I42 HydrophobicContact CG-CD1 3.99Å; P10-E43 PolarHBondContact O-N 3.19Å; P10-Q58 HydrophobicContact CB-CG 4.16Å; P10-Q58 HydrophobicContact CG-CG 4.3Å
11S94.2Very high91.9Very high43 Ų4338.2 Ų38.230%0.30121%0.209SC..  trans-82.6131.5157-570000109.4T13 E43S11-T13 PolarHBondContact O-N 3.17Å; S11-E43 WeakPolarHBondContact CA-O 3.46Å; S11-E43 VanDerWaalsContact CB-O 3.3Å; S11-E43 WeakPolarHBondContact CB-O 3.41Å; S11-E43 PolarHBondContact OG-O 2.89Å
12P92.8Very high93.6Very high9 Ų926.9 Ų26.96%0.05815%0.153CC..SBendtrans-7849.5-175.934.1-36.2000112.1I42 D44 N50 I51 E55P12-I42 HydrophobicContact CB-CG2 4.45Å; P12-I42 HydrophobicContact CG-CG2 3.9Å; P12-D44 HydrophobicContact CG-CB 3.84Å; P12-N50 HydrophobicContact CG-CB 4.29Å; P12-N50 WeakPolarHBondContact O-CA 3.49Å; P12-I51 WeakPolarHBondContact O-CG1 3.41Å; P12-I51 PolarHBondContact O-N 3.3Å; P12-E55 HydrophobicContact CB-CB 4.19Å
13T89.8Confident94.3Very high53 Ų5323.4 Ų23.433%0.32513%0.128SC..SBendtrans-98.88.2-175.262.40000113S11 R49S11-T13 PolarHBondContact O-N 3.17Å; T13-R49 WeakPolarHBondContact CA-O 3.31Å; T13-R49 WeakPolarHBondContact CB-O 3.03Å; T13-R49 HydrophobicContact CG2-CB 3.71Å; T13-R49 WeakPolarHBondContact CG2-O 3.4Å
14G87.5Confident94.6Very high9 Ų918.1 Ų18.19%0.09311%0.105CC..SBendtrans177.1167.5-175.800000111.3I51 Q58G14-I51 VanDerWaalsContact CA-CD1 3.45Å; G14-Q58 PolarHBondContact O-NE2 2.75Å
15H90.4Very high94.6Very high74 Ų7416.8 Ų16.834%0.34310%0.099SC..  trans-67.4163.3172.8-59.1-82.7000112H17 S57 F264 E266H15-H17 PolarHBondContact O-N 3.3Å; H15-H17 VanDerWaalsContact O-N 3.11Å; H15-S57 WeakPolarHBondContact CB-OG 3.42Å; H15-S57 WeakPolarHBondContact ND1-CB 3.47Å; H15-S57 PolarHBondContact ND1-OG 2.97Å; H15-F264 HydrophobicContact CB-CD1 3.65Å; H15-F264 HydrophobicContact CB-CE1 4.05Å; H15-F264 HydrophobicContact CB-CG 4.28Å; H15-E266 IonicContact ND1-OE2 3.57Å
16L93.5Very high94.5Very high1 Ų116.3 Ų16.31%0.00510%0.097CC..  trans-66.6109.4176.9-176.665.6000110.2N20 A21 N61 L62 L65 F264 I265L16-N20 HydrophobicContact CD1-CB 3.97Å; L16-A21 HydrophobicContact CD1-CB 4.06Å; L16-A21 HydrophobicContact CD2-CB 4.14Å; L16-A21 HydrophobicContact CG-CB 4.08Å; L16-N61 HydrophobicContact CB-CB 4.14Å; L16-N61 HydrophobicContact CD2-CB 3.54Å; L16-N61 HydrophobicContact CG-CB 4.45Å; L16-L62 HydrophobicContact CD1-CD2 4.39Å; L16-L62 HydrophobicContact CD2-CD2 3.87Å; L16-L62 HydrophobicContact CD2-CG 3.94Å; L16-L65 HydrophobicContact CD2-CD1 4.42Å; L16-F264 WeakPolarHBondContact O-CA 3.35Å; L16-I265 HydrophobicContact CB-CG1 4.44Å; L16-I265 HydrophobicContact CD2-CB 4.16Å; L16-I265 HydrophobicContact CD2-CG1 3.76Å; L16-I265 HydrophobicContact CG-CB 4.39Å; L16-I265 HydrophobicContact CG-CG1 3.8Å; L16-I265 PolarHBondContact O-N 2.83Å
17H91Very high94.5Very high35 Ų3516.3 Ų16.316%0.16210%0.097CC..BIsolated β-bridgetrans-97.5159.8172.667.184000111.7H15 G19 N20 A21 Q263 F264H15-H17 PolarHBondContact O-N 3.3Å; H15-H17 VanDerWaalsContact O-N 3.11Å; H17-G19 VanDerWaalsContact C-N 3.31Å; H17-G19 PolarHBondContact ND1-N 2.71Å; H17-G19 PolarHBondContact O-N 3.48Å; H17-N20 VanDerWaalsContact CE1-CG 3.41Å; H17-N20 PolarHBondContact CE1-N 3.25Å; H17-N20 VanDerWaalsContact CE1-N 3.29Å; H17-N20 PolarHBondContact CE1-OD1 3.44Å; H17-N20 VanDerWaalsContact CE1-OD1 3.27Å; H17-N20 PolarHBondContact ND1-N 2.77Å; H17-N20 PolarHBondContact NE2-ND2 2.97Å; H17-N20 PolarHBondContact NE2-OD1 3.49Å; H17-N20 WeakPolarHBondContact O-CA 3.49Å; H17-N20 WeakPolarHBondContact O-CB 3.33Å; H17-N20 PolarHBondContact O-N 2.77Å; H17-A21 PolarHBondContact O-N 3.49Å; H17-Q263 CarbonylContact C-O 3.54Å; H17-Q263 WeakPolarHBondContact CA-O 3.48Å; H17-Q263 WeakPolarHBondContact CB-O 3.12Å; H17-F264 HydrophobicContact CB-CD1 4Å; H17-F264 HydrophobicContact CB-CE1 4.13Å
18I92.1Very high94.5Very high0 Ų016.5 Ų16.50%010%0.097CC..Hα-helixtrans-50.9-45.3-176.3-72.6-179000113.1N20 A21 R22 I245 Q263 I265 Y268 L285 F317I18-N20 VanDerWaalsContact C-N 3.29Å; I18-N20 PolarHBondContact O-N 3.48Å; I18-A21 PolarHBondContact O-N 3.43Å; I18-R22 WeakPolarHBondContact O-CB 3.34Å; I18-R22 PolarHBondContact O-N 2.94Å; I18-I245 HydrophobicContact CG2-CD1 3.74Å; I18-Q263 PolarHBondContact N-O 3.17Å; I18-I265 HydrophobicContact CG1-CD1 3.91Å; I18-Y268 HydrophobicContact CD1-CE2 3.58Å; I18-Y268 HydrophobicContact CG1-CE2 4.16Å; I18-L285 HydrophobicContact CG2-CD1 3.7Å; I18-F317 HydrophobicContact CD1-CD2 3.86Å; I18-F317 HydrophobicContact CD1-CE2 3.25Å; I18-F317 HydrophobicContact CD1-CZ 3.91Å; I18-F317 HydrophobicContact CG2-CD2 4.44Å
19G90.5Very high94.5Very high13 Ų1316.2 Ų16.213%0.13410%0.096CC..Hα-helixtrans-57.4-40.3177.700000114H17 T23H17-G19 VanDerWaalsContact C-N 3.31Å; H17-G19 PolarHBondContact ND1-N 2.71Å; H17-G19 PolarHBondContact O-N 3.48Å; G19-T23 PolarHBondContact O-N 3.4Å; G19-T23 PolarHBondContact O-OG1 2.79Å
20N92.6Very high94.5Very high45 Ų4515.9 Ų15.924%0.2419%0.092CC..Hα-helixtrans-74.5-40.8177.3-89.611.2000111.6Y8 L16 H17 I18 R22 T23 A24Y8-N20 HydrophobicContact CE2-CB 4.48Å; Y8-N20 WeakPolarHBondContact CE2-O 3.49Å; Y8-N20 WeakPolarHBondContact OH-CB 3.38Å; L16-N20 HydrophobicContact CD1-CB 3.97Å; H17-N20 VanDerWaalsContact CE1-CG 3.41Å; H17-N20 PolarHBondContact CE1-N 3.25Å; H17-N20 VanDerWaalsContact CE1-N 3.29Å; H17-N20 PolarHBondContact CE1-OD1 3.44Å; H17-N20 VanDerWaalsContact CE1-OD1 3.27Å; H17-N20 PolarHBondContact ND1-N 2.77Å; H17-N20 PolarHBondContact NE2-ND2 2.97Å; H17-N20 PolarHBondContact NE2-OD1 3.49Å; H17-N20 WeakPolarHBondContact O-CA 3.49Å; H17-N20 WeakPolarHBondContact O-CB 3.33Å; H17-N20 PolarHBondContact O-N 2.77Å; I18-N20 VanDerWaalsContact C-N 3.29Å; I18-N20 PolarHBondContact O-N 3.48Å; N20-R22 VanDerWaalsContact C-N 3.28Å; N20-R22 PolarHBondContact O-N 2.94Å; N20-T23 PolarHBondContact O-N 3.28Å; N20-T23 VanDerWaalsContact O-N 3.16Å; N20-A24 PolarHBondContact O-N 3.49Å
21A95.8Very high94.7Very high1 Ų115.7 Ų15.71%0.0089%0.09CC..Hα-helixtrans-58.9-4117400000111.2L16 H17 I18 A24 L25 L65 I265 I282L16-A21 HydrophobicContact CD1-CB 4.06Å; L16-A21 HydrophobicContact CD2-CB 4.14Å; L16-A21 HydrophobicContact CG-CB 4.08Å; H17-A21 PolarHBondContact O-N 3.49Å; I18-A21 PolarHBondContact O-N 3.43Å; A21-A24 PolarHBondContact O-N 2.65Å; A21-L25 VanDerWaalsContact O-CB 3.24Å; A21-L25 WeakPolarHBondContact O-CB 3.33Å; A21-L25 PolarHBondContact O-N 3.22Å; A21-L65 HydrophobicContact CB-CD1 4.12Å; A21-I265 HydrophobicContact CB-CD1 3.88Å; A21-I265 HydrophobicContact CB-CG1 3.88Å; A21-I282 HydrophobicContact CB-CD1 4.11Å
22R95.6Very high94.8Very high6 Ų616.1 Ų16.12%0.0239%0.085CC..Hα-helixtrans-61.6-45.7173.3-174.4-157.856-179.62.5112.3I18 N20 A24 L25 F26 T243 I245 I282 L285I18-R22 WeakPolarHBondContact O-CB 3.34Å; I18-R22 PolarHBondContact O-N 2.94Å; N20-R22 VanDerWaalsContact C-N 3.28Å; N20-R22 PolarHBondContact O-N 2.94Å; R22-A24 VanDerWaalsContact C-N 3.32Å; R22-A24 PolarHBondContact O-N 3.21Å; R22-L25 PolarHBondContact O-N 2.87Å; R22-F26 HydrophobicContact CG-CD1 4.22Å; R22-F26 HydrophobicContact CG-CE1 3.87Å; R22-F26 HydrophobicContact CG-CE2 4.19Å; R22-F26 HydrophobicContact CG-CZ 3.85Å; R22-F26 PolarHBondContact O-N 3.39Å; R22-T243 PolarHBondContact NH1-O 2.84Å; R22-T243 PolarHBondContact NH2-O 3.34Å; R22-I245 HydrophobicContact CB-CD1 4.47Å; R22-I282 HydrophobicContact CB-CG2 3.58Å; R22-I282 HydrophobicContact CG-CG2 4.07Å; R22-L285 WeakPolarHBondContact CD-O 3.44Å
23T95.7Very high95.1Very high16 Ų1619.4 Ų19.410%0.09810%0.1CC..Hα-helixtrans-60.9-43.5176.7-69.80000111.4Y8 G19 N20 N27 M242Y8-T23 HydrophobicContact CD2-CG2 4.34Å; G19-T23 PolarHBondContact O-N 3.4Å; G19-T23 PolarHBondContact O-OG1 2.79Å; N20-T23 PolarHBondContact O-N 3.28Å; N20-T23 VanDerWaalsContact O-N 3.16Å; T23-N27 PolarHBondContact O-N 3.18Å; T23-N27 PolarHBondContact O-ND2 3.24Å; T23-M242 HydrophobicContact CG2-CE 3.79Å; T23-M242 WeakPolarHBondContact OG1-CE 3.43Å
24A97.9Very high95.4Very high0 Ų020.2 Ų20.20%010%0.102CC..Hα-helixtrans-59.6-47.8173.500000111.2Y8 N20 A21 R22 F26 N27 Y28 F38 L62Y8-A24 HydrophobicContact CD1-CB 3.94Å; Y8-A24 HydrophobicContact CD2-CB 3.63Å; Y8-A24 HydrophobicContact CE1-CB 4.24Å; Y8-A24 HydrophobicContact CE2-CB 3.96Å; Y8-A24 HydrophobicContact CG-CB 3.62Å; N20-A24 PolarHBondContact O-N 3.49Å; A21-A24 PolarHBondContact O-N 2.65Å; R22-A24 VanDerWaalsContact C-N 3.32Å; R22-A24 PolarHBondContact O-N 3.21Å; A24-F26 PolarHBondContact O-N 2.9Å; A24-N27 PolarHBondContact O-N 3.19Å; A24-Y28 WeakPolarHBondContact O-CB 3.38Å; A24-Y28 PolarHBondContact O-N 3.04Å; A24-F38 HydrophobicContact CB-CZ 4.32Å; A24-L62 HydrophobicContact CB-CD1 4.13Å; A24-L62 HydrophobicContact CB-CD2 3.46Å; A24-L62 VanDerWaalsContact CB-CD2 3.46Å; A24-L62 HydrophobicContact CB-CG 4.47Å
25L98.2Very high95.8Very high2 Ų226.4 Ų26.41%0.0113%0.133CC..Hα-helixtrans-60.7-42.9-179179.157.9000112.9A21 R22 Y28 L29 I67 F279 I282 A283A21-L25 VanDerWaalsContact O-CB 3.24Å; A21-L25 WeakPolarHBondContact O-CB 3.33Å; A21-L25 PolarHBondContact O-N 3.22Å; R22-L25 PolarHBondContact O-N 2.87Å; L25-Y28 HydrophobicContact CD1-CD1 4.23Å; L25-Y28 WeakPolarHBondContact O-CB 3.42Å; L25-Y28 PolarHBondContact O-N 3.45Å; L25-L29 HydrophobicContact CD1-CD1 4.04Å; L25-L29 HydrophobicContact CD1-CD2 4.45Å; L25-L29 HydrophobicContact CD1-CG 3.9Å; L25-L29 HydrophobicContact CG-CD1 3.97Å; L25-L29 HydrophobicContact CG-CG 4.29Å; L25-L29 WeakPolarHBondContact O-CB 3.41Å; L25-L29 VanDerWaalsContact O-CG 3.3Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 2.91Å; L25-I67 HydrophobicContact CB-CD1 4.12Å; L25-I67 HydrophobicContact CD1-CD1 4.11Å; L25-I67 HydrophobicContact CD1-CG1 4.4Å; L25-F279 HydrophobicContact CD1-CD1 4.22Å; L25-F279 HydrophobicContact CD1-CD2 3.65Å; L25-F279 HydrophobicContact CD1-CE1 3.78Å; L25-F279 HydrophobicContact CD1-CE2 3.18Å; L25-F279 HydrophobicContact CD1-CG 4.16Å; L25-F279 HydrophobicContact CD1-CZ 3.24Å; L25-F279 WeakPolarHBondContact CD2-O 3.33Å; L25-I282 HydrophobicContact CB-CG2 4.43Å; L25-I282 HydrophobicContact CD2-CB 3.82Å; L25-I282 HydrophobicContact CD2-CG2 3.64Å; L25-A283 HydrophobicContact CD2-CB 3.93Å
26F97.7Very high96.2Very high1 Ų123.1 Ų23.10%0.00412%0.119CC..Hα-helixtrans-69.3-36.3178.6-74.78.3000112.2R22 A24 Y28 F30 M242 A283 W287 F305 L310R22-F26 HydrophobicContact CG-CD1 4.22Å; R22-F26 HydrophobicContact CG-CE1 3.87Å; R22-F26 HydrophobicContact CG-CE2 4.19Å; R22-F26 HydrophobicContact CG-CZ 3.85Å; R22-F26 PolarHBondContact O-N 3.39Å; A24-F26 PolarHBondContact O-N 2.9Å; F26-Y28 VanDerWaalsContact C-N 3.34Å; F26-F30 WeakPolarHBondContact O-CB 3.4Å; F26-F30 PolarHBondContact O-N 3.44Å; F26-M242 HydrophobicContact CD2-CG 3.67Å; F26-M242 HydrophobicContact CE2-CG 4.07Å; F26-A283 WeakPolarHBondContact CE1-O 3.26Å; F26-W287 HydrophobicContact CE1-CB 4.17Å; F26-W287 HydrophobicContact CE2-CB 4.29Å; F26-W287 HydrophobicContact CZ-CB 3.69Å; F26-F305 HydrophobicContact CB-CZ 4.24Å; F26-F305 HydrophobicContact CD1-CE2 4.15Å; F26-F305 HydrophobicContact CG-CE2 4.35Å; F26-F305 HydrophobicContact CG-CZ 4.28Å; F26-L310 HydrophobicContact CD2-CD2 3.58Å; F26-L310 HydrophobicContact CE2-CD2 3.47Å; F26-L310 VanDerWaalsContact CE2-CD2 3.47Å; F26-L310 HydrophobicContact CZ-CD2 4.31Å
27N98.5Very high96.4Very high0 Ų024.9 Ų24.90%013%0.128CC..Hα-helixtrans-63.9-43.3171.2-78.5-92.8000110.4V6 R7 T23 A24 F30 A31 F38 L213V6-N27 HydrophobicContact CB-CB 4.39Å; V6-N27 WeakPolarHBondContact CB-OD1 3.47Å; V6-N27 HydrophobicContact CG2-CB 4.01Å; V6-N27 VanDerWaalsContact CG2-O 3.24Å; V6-N27 WeakPolarHBondContact CG2-O 3.37Å; R7-N27 PolarHBondContact O-OD1 3.26Å; T23-N27 PolarHBondContact O-N 3.18Å; T23-N27 PolarHBondContact O-ND2 3.24Å; A24-N27 PolarHBondContact O-N 3.19Å; N27-F30 PolarHBondContact O-N 3.22Å; N27-A31 WeakPolarHBondContact O-CB 3.47Å; N27-A31 PolarHBondContact O-N 3.44Å; N27-F38 HydrophobicContact CB-CD2 3.81Å; N27-F38 HydrophobicContact CB-CE2 3.51Å; N27-L213 PolarHBondContact ND2-O 2.81Å
28Y98.7Very high96.8Very high10 Ų1023.2 Ų23.24%0.03912%0.12CC..Hα-helixtrans-59.7-53.9176.7172.6-97.6000112.4A24 L25 F26 F30 A31 R32 F38 I67 D68 F279 Q298 I302A24-Y28 WeakPolarHBondContact O-CB 3.38Å; A24-Y28 PolarHBondContact O-N 3.04Å; L25-Y28 HydrophobicContact CD1-CD1 4.23Å; L25-Y28 WeakPolarHBondContact O-CB 3.42Å; L25-Y28 PolarHBondContact O-N 3.45Å; F26-Y28 VanDerWaalsContact C-N 3.34Å; Y28-F30 VanDerWaalsContact C-N 3.32Å; Y28-F30 PolarHBondContact O-N 3.41Å; Y28-A31 PolarHBondContact O-N 2.95Å; Y28-R32 HydrophobicContact CD1-CG 4.43Å; Y28-R32 HydrophobicContact CD2-CG 3.98Å; Y28-R32 HydrophobicContact CE1-CG 4.05Å; Y28-R32 HydrophobicContact CE2-CG 3.56Å; Y28-R32 VanDerWaalsContact CE2-NE 3.34Å; Y28-R32 HydrophobicContact CG-CG 4.39Å; Y28-R32 WeakPolarHBondContact O-CB 3.32Å; Y28-R32 WeakPolarHBondContact O-CG 3.43Å; Y28-R32 PolarHBondContact O-N 3.06Å; Y28-F38 HydrophobicContact CD2-CD1 4.07Å; Y28-I67 HydrophobicContact CD2-CG2 3.75Å; Y28-I67 HydrophobicContact CE2-CG2 4.47Å; Y28-I67 HydrophobicContact CG-CG2 3.82Å; Y28-D68 WeakPolarHBondContact CD2-O 3.44Å; Y28-D68 WeakPolarHBondContact CE2-OD1 3.49Å; Y28-D68 PolarHBondContact OH-OD1 3.5Å; Y28-F279 HydrophobicContact CD1-CE2 4.07Å; Y28-F279 HydrophobicContact CD1-CZ 4.09Å; Y28-F279 AromaticContact CE1-CE2 3.91Å; Y28-F279 HydrophobicContact CE1-CE2 3.91Å; Y28-F279 AromaticContact CE1-CZ 3.9Å; Y28-F279 HydrophobicContact CE1-CZ 3.9Å; Y28-Q298 PolarHBondContact OH-NE2 3.1Å; Y28-I302 HydrophobicContact CE1-CD1 3.92Å; Y28-I302 HydrophobicContact CE1-CG1 4.11Å
29L98.5Very high97.1Very high0 Ų023.2 Ų23.20%012%0.12CC..Hα-helixtrans-58.4-45178.4-70.6173.5000111L25 A31 R32 H33 F279 A283 L301 I302 F305L25-L29 HydrophobicContact CD1-CD1 4.04Å; L25-L29 HydrophobicContact CD1-CD2 4.45Å; L25-L29 HydrophobicContact CD1-CG 3.9Å; L25-L29 HydrophobicContact CG-CD1 3.97Å; L25-L29 HydrophobicContact CG-CG 4.29Å; L25-L29 WeakPolarHBondContact O-CB 3.41Å; L25-L29 VanDerWaalsContact O-CG 3.3Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 2.91Å; L29-A31 PolarHBondContact O-N 3.22Å; L29-R32 PolarHBondContact O-N 3.34Å; L29-H33 WeakPolarHBondContact O-CB 3.48Å; L29-H33 PolarHBondContact O-N 3.22Å; L29-F279 HydrophobicContact CD2-CE1 4.01Å; L29-F279 HydrophobicContact CD2-CZ 3.75Å; L29-F279 HydrophobicContact CG-CZ 4.41Å; L29-A283 HydrophobicContact CD1-CB 4.25Å; L29-L301 HydrophobicContact CD2-CB 4.1Å; L29-I302 HydrophobicContact CD2-CB 4.43Å; L29-I302 HydrophobicContact CD2-CG1 3.74Å; L29-F305 HydrophobicContact CB-CB 4Å; L29-F305 HydrophobicContact CB-CD1 3.96Å; L29-F305 HydrophobicContact CB-CD2 3.63Å; L29-F305 HydrophobicContact CB-CE1 4.34Å; L29-F305 HydrophobicContact CB-CE2 4.02Å; L29-F305 HydrophobicContact CB-CG 3.58Å; L29-F305 HydrophobicContact CB-CZ 4.36Å; L29-F305 HydrophobicContact CD1-CD2 3.6Å; L29-F305 HydrophobicContact CD1-CE2 3.91Å; L29-F305 HydrophobicContact CD1-CG 4.35Å; L29-F305 HydrophobicContact CG-CD2 4.22Å
30F98.2Very high97.5Very high11 Ų1122.6 Ų22.65%0.04811%0.114CC..Hα-helixtrans-62-43.1177.2-174.4-107.3000112.6I4 V6 F26 N27 Y28 N34 H211 L213 F305 T307I4-F30 HydrophobicContact CD1-CE1 4.39Å; I4-F30 HydrophobicContact CG2-CD1 3.96Å; I4-F30 HydrophobicContact CG2-CE1 3.63Å; V6-F30 HydrophobicContact CG1-CD1 3.66Å; V6-F30 HydrophobicContact CG1-CE1 3.98Å; F26-F30 WeakPolarHBondContact O-CB 3.4Å; F26-F30 PolarHBondContact O-N 3.44Å; N27-F30 PolarHBondContact O-N 3.22Å; Y28-F30 VanDerWaalsContact C-N 3.32Å; Y28-F30 PolarHBondContact O-N 3.41Å; F30-N34 WeakPolarHBondContact O-CB 3.34Å; F30-N34 PolarHBondContact O-N 2.96Å; F30-N34 PolarHBondContact O-ND2 3.47Å; F30-H211 HydrophobicContact CE1-CB 3.91Å; F30-H211 AromaticContact CE1-CD2 3.92Å; F30-H211 AromaticContact CE1-CG 3.6Å; F30-H211 AromaticContact CE1-ND1 3.83Å; F30-H211 AromaticContact CZ-CD2 3.77Å; F30-H211 AromaticContact CZ-CG 3.94Å; F30-H211 AromaticContact CZ-NE2 3.98Å; F30-L213 HydrophobicContact CB-CD1 3.88Å; F30-L213 HydrophobicContact CD1-CD1 4.07Å; F30-L213 HydrophobicContact CG-CD1 3.93Å; F30-F305 HydrophobicContact CB-CD1 4.23Å; F30-F305 HydrophobicContact CB-CE1 3.78Å; F30-F305 HydrophobicContact CD2-CE1 4.16Å; F30-F305 HydrophobicContact CG-CE1 4.47Å; F30-T307 HydrophobicContact CD2-CG2 3.42Å; F30-T307 VanDerWaalsContact CD2-CG2 3.42Å; F30-T307 HydrophobicContact CE2-CG2 3.47Å; F30-T307 VanDerWaalsContact CE2-CG2 3.47Å
31A98.4Very high97.8Very high0 Ų020.5 Ų20.50%010%0.102CC..Hα-helixtrans-62-55.4176.300000110.7V6 N27 Y28 L29 H33 N34 D35 G36 F38V6-A31 HydrophobicContact CG2-CB 3.73Å; N27-A31 WeakPolarHBondContact O-CB 3.47Å; N27-A31 PolarHBondContact O-N 3.44Å; Y28-A31 PolarHBondContact O-N 2.95Å; L29-A31 PolarHBondContact O-N 3.22Å; A31-H33 PolarHBondContact O-N 2.88Å; A31-N34 CarbonylContact O-C 3.3Å; A31-N34 PolarHBondContact O-N 3.28Å; A31-N34 VanDerWaalsContact O-N 3.15Å; A31-D35 PolarHBondContact O-N 3Å; A31-G36 WeakPolarHBondContact O-CA 3.4Å; A31-G36 PolarHBondContact O-N 2.97Å; A31-F38 HydrophobicContact CB-CB 3.88Å
32R98.1Very high97.9Very high53 Ų5320.5 Ų20.520%0.210%0.102CC..Hα-helixtrans-64.6-38.1-175.7-62.9-68.6177-100.46.8112.2Y28 L29 N34 D35 D68 D70 I302Y28-R32 HydrophobicContact CD1-CG 4.43Å; Y28-R32 HydrophobicContact CD2-CG 3.98Å; Y28-R32 HydrophobicContact CE1-CG 4.05Å; Y28-R32 HydrophobicContact CE2-CG 3.56Å; Y28-R32 VanDerWaalsContact CE2-NE 3.34Å; Y28-R32 HydrophobicContact CG-CG 4.39Å; Y28-R32 WeakPolarHBondContact O-CB 3.32Å; Y28-R32 WeakPolarHBondContact O-CG 3.43Å; Y28-R32 PolarHBondContact O-N 3.06Å; L29-R32 PolarHBondContact O-N 3.34Å; R32-N34 VanDerWaalsContact C-N 3.28Å; R32-N34 PolarHBondContact O-N 2.96Å; R32-D35 PolarHBondContact O-N 3.47Å; R32-D68 IonicContact CZ-OD2 3.6Å; R32-D68 IonicContact NE-OD1 3.29Å; R32-D68 IonicContact NE-OD2 2.88Å; R32-D68 PolarHBondContact NH2-O 3.01Å; R32-D68 IonicContact NH2-OD1 3.77Å; R32-D68 IonicContact NH2-OD2 2.7Å; R32-D68 PolarHBondContact NH2-OD2 2.96Å; R32-D70 IonicContact CZ-OD2 2.88Å; R32-D70 IonicContact NH1-OD1 3.74Å; R32-D70 IonicContact NH1-OD2 2.64Å; R32-D70 PolarHBondContact NH1-OD2 3.44Å; R32-D70 IonicContact NH2-OD1 2.72Å; R32-D70 IonicContact NH2-OD2 3.62Å; R32-D70 PolarHBondContact NH2-OD2 2.89Å; R32-I302 HydrophobicContact CB-CD1 4.3Å; R32-I302 HydrophobicContact CB-CG1 4.21Å; R32-I302 HydrophobicContact CB-CG2 3.54Å
33H97.6Very high97.9Very high78 Ų7820.4 Ų20.436%0.36110%0.102SC..Hα-helixtrans-60-38.3174.9-175.882.5000112.5L29 A31 I302 K303 F305L29-H33 WeakPolarHBondContact O-CB 3.48Å; L29-H33 PolarHBondContact O-N 3.22Å; A31-H33 PolarHBondContact O-N 2.88Å; H33-I302 WeakPolarHBondContact CB-O 2.96Å; H33-I302 PolarHBondContact ND1-O 3.36Å; H33-K303 PolarHBondContact CE1-O 2.88Å; H33-K303 PolarHBondContact ND1-O 3.4Å; H33-K303 VanDerWaalsContact ND1-O 3.09Å; H33-F305 HydrophobicContact CB-CB 4.39Å; H33-F305 PolarHBondContact CD2-O 3.43Å; H33-F305 PolarHBondContact CE1-O 3.19Å; H33-F305 VanDerWaalsContact CE1-O 3.3Å; H33-F305 PolarHBondContact ND1-O 3.21Å; H33-F305 PolarHBondContact NE2-O 2.93Å
34N97.1Very high97.9Very high69 Ų6920.2 Ų20.237%0.36910%0.1SC..THydrogen-bonded Turntrans-101.317.4-174.5-68.8-84.6000114I4 F30 A31 R32 G36I4-N34 HydrophobicContact CB-CB 4.35Å; I4-N34 HydrophobicContact CG1-CB 3.92Å; F30-N34 WeakPolarHBondContact O-CB 3.34Å; F30-N34 PolarHBondContact O-N 2.96Å; F30-N34 PolarHBondContact O-ND2 3.47Å; A31-N34 CarbonylContact O-C 3.3Å; A31-N34 PolarHBondContact O-N 3.28Å; A31-N34 VanDerWaalsContact O-N 3.15Å; R32-N34 VanDerWaalsContact C-N 3.28Å; R32-N34 PolarHBondContact O-N 2.96Å; N34-G36 PolarHBondContact O-N 3.34Å; N34-G36 VanDerWaalsContact O-N 3.15Å
35D96.7Very high97.7Very high139 Ų13920.8 Ų20.874%0.74310%0.104SC*.THydrogen-bonded Turntrans50.437.9-174.8-167.136.4000112.9K3 A31 R32K3-D35 WeakPolarHBondContact CE-O 3.37Å; A31-D35 PolarHBondContact O-N 3Å; R32-D35 PolarHBondContact O-N 3.47Å
36G97.9Very high97.3Very high6 Ų623.5 Ų23.56%0.06212%0.118CC..  trans-97.7-179.2-178.600000113.4I4 A31 N34I4-G36 CarbonylContact O-C 3.49Å; I4-G36 WeakPolarHBondContact O-CA 3.31Å; A31-G36 WeakPolarHBondContact O-CA 3.4Å; A31-G36 PolarHBondContact O-N 2.97Å; N34-G36 PolarHBondContact O-N 3.34Å; N34-G36 VanDerWaalsContact O-N 3.15Å
37E98.3Very high96.7Very high38 Ų3828.7 Ų28.718%0.17815%0.145CC..EExtended strand (participates in β ladder)trans-107.6137.5177.1-68.2156.8163.200110.7K3 I4 R5 V6 I39 D70K3-E37 HydrophobicContact CD-CG 4.27Å; K3-E37 VanDerWaalsContact NZ-CD 3.26Å; K3-E37 IonicContact NZ-OE1 3.68Å; K3-E37 PolarHBondContact NZ-OE1 3.09Å; I4-E37 PolarHBondContact O-N 3.04Å; R5-E37 WeakPolarHBondContact CA-O 3.3Å; R5-E37 WeakPolarHBondContact CD-OE2 3.41Å; R5-E37 HydrophobicContact CG-CB 4.23Å; R5-E37 WeakPolarHBondContact CG-OE2 3.35Å; R5-E37 IonicContact CZ-OE2 3.23Å; R5-E37 IonicContact NE-OE2 2.84Å; R5-E37 IonicContact NH1-OE2 2.83Å; R5-E37 PolarHBondContact NH1-OE2 3.35Å; V6-E37 PolarHBondContact N-O 3.13Å; E37-I39 HydrophobicContact CB-CD1 3.99Å; E37-D70 VanDerWaalsContact CA-OD2 3.31Å; E37-D70 WeakPolarHBondContact CA-OD2 3.47Å; E37-D70 HydrophobicContact CB-CB 4.15Å; E37-D70 HydrophobicContact CG-CB 4.24Å
38F98.6Very high96.3Very high0 Ų038.4 Ų38.40%019%0.188CC..EExtended strand (participates in β ladder)trans-110.2118.2174.8177.5-123.5000109.8V6 A24 N27 Y28 A31 I40 I67 D68 W69 D70V6-F38 HydrophobicContact CG2-CD2 4.24Å; A24-F38 HydrophobicContact CB-CZ 4.32Å; N27-F38 HydrophobicContact CB-CD2 3.81Å; N27-F38 HydrophobicContact CB-CE2 3.51Å; Y28-F38 HydrophobicContact CD2-CD1 4.07Å; A31-F38 HydrophobicContact CB-CB 3.88Å; F38-I40 HydrophobicContact CE1-CD1 3.73Å; F38-I40 HydrophobicContact CZ-CD1 3.78Å; F38-I67 HydrophobicContact CD1-CG2 4.38Å; F38-I67 HydrophobicContact CE1-CG2 3.65Å; F38-I67 HydrophobicContact CZ-CG2 4.35Å; F38-D68 VanDerWaalsContact CD1-O 3.27Å; F38-D68 WeakPolarHBondContact CD1-O 3.43Å; F38-W69 HydrophobicContact CD1-CB 3.79Å; F38-W69 HydrophobicContact CE1-CB 4.19Å; F38-W69 WeakPolarHBondContact O-CB 3.4Å; F38-D70 PolarHBondContact N-OD2 2.83Å; F38-D70 PolarHBondContact O-N 3.24Å
39I98.7Very high95.9Very high0 Ų046.2 Ų46.20%022%0.217CC..EExtended strand (participates in β ladder)trans-110141.1-172.4-62.891.3000110.4R5 V6 R7 Y8 E37 E71 Y82 I209R5-I39 HydrophobicContact CB-CD1 4.17Å; V6-I39 WeakPolarHBondContact O-CD1 3.35Å; V6-I39 PolarHBondContact O-N 3.42Å; R7-I39 CarbonylContact C-O 2.99Å; R7-I39 WeakPolarHBondContact CA-O 3.41Å; R7-I39 HydrophobicContact CB-CB 4.16Å; Y8-I39 PolarHBondContact N-O 2.74Å; E37-I39 HydrophobicContact CB-CD1 3.99Å; I39-E71 WeakPolarHBondContact CA-O 3.28Å; I39-E71 HydrophobicContact CG1-CB 3.99Å; I39-E71 HydrophobicContact CG1-CG 4.43Å; I39-E71 HydrophobicContact CG2-CB 4.19Å; I39-Y82 HydrophobicContact CG2-CD1 3.72Å; I39-Y82 HydrophobicContact CG2-CE1 3.38Å; I39-I209 HydrophobicContact CD1-CD1 4.18Å
40I98.5Very high95.5Very high0 Ų048.2 Ų48.20%023%0.228CC..EExtended strand (participates in β ladder)trans-102122.4166.9-49.2-60.4000110Y8 F38 I42 L59 L62 W69 E71 Y82Y8-I40 HydrophobicContact CD1-CD1 4.08Å; Y8-I40 WeakPolarHBondContact O-CA 3.47Å; F38-I40 HydrophobicContact CE1-CD1 3.73Å; F38-I40 HydrophobicContact CZ-CD1 3.78Å; I40-I42 HydrophobicContact CG2-CD1 4.04Å; I40-L59 HydrophobicContact CG1-CD2 4.44Å; I40-L59 HydrophobicContact CG2-CD2 3.71Å; I40-L62 HydrophobicContact CD1-CD1 4.34Å; I40-W69 HydrophobicContact CD1-CB 4.13Å; I40-W69 HydrophobicContact CD1-CD2 4.18Å; I40-W69 HydrophobicContact CD1-CE3 4.03Å; I40-W69 HydrophobicContact CD1-CG 4.25Å; I40-W69 HydrophobicContact CG1-CB 3.73Å; I40-W69 HydrophobicContact CG1-CD2 3.57Å; I40-W69 HydrophobicContact CG1-CE3 3.92Å; I40-W69 HydrophobicContact CG1-CG 3.5Å; I40-W69 VanDerWaalsContact CG1-CG 3.5Å; I40-E71 PolarHBondContact N-O 3.33Å; I40-Y82 WeakPolarHBondContact O-CB 3.34Å
41R98.6Very high95.2Very high0 Ų050.8 Ų50.80%024%0.241CC..  trans-122.7125.5172.7-179178.265.6-133.94.4110.4Y8 A9 P10 E43 Y82 Q84 D204 M207Y8-R41 PolarHBondContact O-N 2.92Å; A9-R41 CarbonylContact C-O 3.51Å; A9-R41 WeakPolarHBondContact CA-O 3.28Å; P10-R41 VanDerWaalsContact CD-O 3.31Å; P10-R41 WeakPolarHBondContact CD-O 3.22Å; R41-E43 IonicContact CZ-OE1 3.32Å; R41-E43 IonicContact NE-OE1 2.84Å; R41-E43 PolarHBondContact NE-OE1 3.03Å; R41-E43 VanDerWaalsContact NE-OE1 3.16Å; R41-E43 IonicContact NH2-OE1 2.98Å; R41-E43 PolarHBondContact NH2-OE1 3.23Å; R41-Y82 CarbonylContact C-O 3.52Å; R41-Y82 WeakPolarHBondContact CA-O 3.17Å; R41-Y82 HydrophobicContact CB-CD1 4.44Å; R41-Q84 HydrophobicContact CG-CG 4.47Å; R41-D204 IonicContact CZ-OD1 3.38Å; R41-D204 VanDerWaalsContact CZ-OD1 3.23Å; R41-D204 IonicContact NH1-OD1 3.64Å; R41-D204 PolarHBondContact NH1-OD1 3.33Å; R41-D204 IonicContact NH2-OD1 3.57Å; R41-D204 PolarHBondContact NH2-OD1 2.9Å; R41-M207 HydrophobicContact CG-CE 4.16Å; R41-M207 HydrophobicContact CG-SD 4.4Å
42I98Very high94.7Very high1 Ų160.2 Ų60.21%0.00529%0.286CS..BIsolated β-bridgetrans-89.8118.6178.7-53.4-56.6000109.6P10 P12 I40 D44 E55 P73 Y82 R83 Q84P10-I42 HydrophobicContact CG-CD1 3.99Å; P12-I42 HydrophobicContact CB-CG2 4.45Å; P12-I42 HydrophobicContact CG-CG2 3.9Å; I40-I42 HydrophobicContact CG2-CD1 4.04Å; I42-D44 HydrophobicContact CG2-CB 3.99Å; I42-D44 PolarHBondContact O-N 2.88Å; I42-E55 HydrophobicContact CD1-CG 3.85Å; I42-E55 HydrophobicContact CG1-CG 4.01Å; I42-P73 HydrophobicContact CG1-CG 3.68Å; I42-Y82 PolarHBondContact N-O 2.71Å; I42-R83 HydrophobicContact CB-CG 4.17Å; I42-R83 HydrophobicContact CG1-CG 4.45Å; I42-Q84 PolarHBondContact O-N 3.38Å
43E97.2Very high94.4Very high5 Ų559.6 Ų59.62%0.02330%0.295CS..  trans-98.769.1-176.8-59.2-164.916200110.9A9 P10 S11 R41 Q84 Y196 V200A9-E43 HydrophobicContact CB-CG 4.07Å; A9-E43 VanDerWaalsContact CB-OE1 3.29Å; A9-E43 WeakPolarHBondContact CB-OE1 3.26Å; P10-E43 PolarHBondContact O-N 3.19Å; S11-E43 WeakPolarHBondContact CA-O 3.46Å; S11-E43 VanDerWaalsContact CB-O 3.3Å; S11-E43 WeakPolarHBondContact CB-O 3.41Å; S11-E43 PolarHBondContact OG-O 2.89Å; R41-E43 IonicContact CZ-OE1 3.32Å; R41-E43 IonicContact NE-OE1 2.84Å; R41-E43 PolarHBondContact NE-OE1 3.03Å; R41-E43 VanDerWaalsContact NE-OE1 3.16Å; R41-E43 IonicContact NH2-OE1 2.98Å; R41-E43 PolarHBondContact NH2-OE1 3.23Å; E43-Q84 HydrophobicContact CG-CG 4.43Å; E43-Y196 WeakPolarHBondContact OE2-CE2 3.29Å; E43-V200 WeakPolarHBondContact OE1-CG2 3.49Å
44D95.6Very high94.2Very high12 Ų1255.9 Ų55.96%0.06428%0.278CS..  trans-9725-170.561.3-19.8000114.3P12 I42 D46 N50 Q84 S85P12-D44 HydrophobicContact CG-CB 3.84Å; I42-D44 HydrophobicContact CG2-CB 3.99Å; I42-D44 PolarHBondContact O-N 2.88Å; D44-D46 PolarHBondContact O-N 2.86Å; D44-N50 WeakPolarHBondContact CB-ND2 3.35Å; D44-N50 PolarHBondContact O-ND2 3.16Å; D44-N50 VanDerWaalsContact O-ND2 3.09Å; D44-Q84 PolarHBondContact OD1-N 3.36Å; D44-S85 VanDerWaalsContact CG-OG 3.31Å; D44-S85 PolarHBondContact OD1-N 3.04Å; D44-S85 PolarHBondContact OD1-OG 2.98Å; D44-S85 WeakPolarHBondContact OD2-CB 3.44Å; D44-S85 PolarHBondContact OD2-OG 3.45Å
45T92.4Very high94Very high12 Ų1254.3 Ų54.37%0.07427%0.268CS..  trans-67.7-18.4-176.857.40000114.6Q84 K189 M193 P194 A199T45-Q84 HydrophobicContact CG2-CB 3.56Å; T45-Q84 HydrophobicContact CG2-CG 4.47Å; T45-K189 PolarHBondContact O-NZ 3.42Å; T45-M193 HydrophobicContact CG2-CE 3.84Å; T45-P194 HydrophobicContact CG2-CG 4.2Å; T45-A199 HydrophobicContact CG2-CB 4.4Å
46D90Very high94Very high59 Ų5953.6 Ų53.632%0.31626%0.259SS..  trans-100.477.1172.9-167.9-6000111.1D44 K48 R49 N50D44-D46 PolarHBondContact O-N 2.86Å; D46-K48 PolarHBondContact O-N 2.83Å; D46-K48 PolarHBondContact OD1-N 3.41Å; D46-R49 HydrophobicContact CB-CB 4.46Å; D46-R49 PolarHBondContact O-N 2.9Å; D46-R49 WeakPolarHBondContact OD2-CD 3.34Å; D46-R49 WeakPolarHBondContact OD2-CG 3.29Å; D46-R49 IonicContact OD2-NE 2.67Å; D46-R49 PolarHBondContact OD2-NE 2.88Å; D46-N50 PolarHBondContact O-N 3.27Å; D46-N50 PolarHBondContact O-OD1 3.46Å
47L86.1Confident93.8Very high109 Ų10953.7 Ų53.757%0.57126%0.258SS*.THydrogen-bonded Turntrans-51.4-28.6-178.2-61.9176.8000114R49L47-R49 VanDerWaalsContact C-N 3.34Å
48K89.8Confident93.6Very high204 Ų20452 Ų5289%0.88725%0.25SS*.THydrogen-bonded Turntrans-74.7-23.9-179.2-67.8-176.5179.4-178.70113.3D46D46-K48 PolarHBondContact O-N 2.83Å; D46-K48 PolarHBondContact OD1-N 3.41Å
49R89.8Confident93.5Very high175 Ų17552.6 Ų52.666%0.6625%0.254SS*.THydrogen-bonded Turntrans-98.6-13.8-179-67.9-170.9-179.1-171.8-1.7113T13 D46 L47T13-R49 WeakPolarHBondContact CA-O 3.31Å; T13-R49 WeakPolarHBondContact CB-O 3.03Å; T13-R49 HydrophobicContact CG2-CB 3.71Å; T13-R49 WeakPolarHBondContact CG2-O 3.4Å; D46-R49 HydrophobicContact CB-CB 4.46Å; D46-R49 PolarHBondContact O-N 2.9Å; D46-R49 WeakPolarHBondContact OD2-CD 3.34Å; D46-R49 WeakPolarHBondContact OD2-CG 3.29Å; D46-R49 IonicContact OD2-NE 2.67Å; D46-R49 PolarHBondContact OD2-NE 2.88Å; L47-R49 VanDerWaalsContact C-N 3.34Å
50N90.5Very high93.4Very high41 Ų4157.2 Ų57.222%0.21928%0.275CS..  trans-64.2135.9176.6-63-15.6000109.4P12 D44 D46P12-N50 HydrophobicContact CG-CB 4.29Å; P12-N50 WeakPolarHBondContact O-CA 3.49Å; D44-N50 WeakPolarHBondContact CB-ND2 3.35Å; D44-N50 PolarHBondContact O-ND2 3.16Å; D44-N50 VanDerWaalsContact O-ND2 3.09Å; D46-N50 PolarHBondContact O-N 3.27Å; D46-N50 PolarHBondContact O-OD1 3.46Å
51I91.6Very high93.4Very high66 Ų6657.4 Ų57.434%0.33828%0.276SS..  trans-107145.7175.864.3162.5000109.8P12 G14 G53 G54P12-I51 WeakPolarHBondContact O-CG1 3.41Å; P12-I51 PolarHBondContact O-N 3.3Å; G14-I51 VanDerWaalsContact CA-CD1 3.45Å; I51-G53 PolarHBondContact O-N 3.22Å; I51-G54 PolarHBondContact O-N 2.91Å; I51-G54 VanDerWaalsContact O-N 3.1Å
52E88.8Confident93.3Very high198 Ų19857.4 Ų57.493%0.92528%0.276SS*.THydrogen-bonded Turntrans-60.2136172.2-171.4173.5-171.500109.9G54E52-G54 PolarHBondContact O-N 3.38Å; E52-G54 VanDerWaalsContact O-N 3.13Å
53G91.5Very high93.3Very high39 Ų3960 Ų6040%0.40230%0.298SS..THydrogen-bonded Turntrans71.5-2.4-175.900000115.2I51 E55 K56 S57I51-G53 PolarHBondContact O-N 3.22Å; G53-E55 PolarHBondContact O-N 2.92Å; G53-K56 PolarHBondContact O-N 3.11Å; G53-S57 WeakPolarHBondContact O-CB 3.38Å; G53-S57 PolarHBondContact O-N 3.03Å
54G91.8Very high93.4Very high0 Ų062 Ų620%031%0.305CS..Hα-helixtrans-57.5-51.5179.900000112.6I51 E52 S57 Q58I51-G54 PolarHBondContact O-N 2.91Å; I51-G54 VanDerWaalsContact O-N 3.1Å; E52-G54 PolarHBondContact O-N 3.38Å; E52-G54 VanDerWaalsContact O-N 3.13Å; G54-S57 PolarHBondContact O-N 3.43Å; G54-Q58 WeakPolarHBondContact O-CG 3.29Å; G54-Q58 PolarHBondContact O-N 3.43Å; G54-Q58 VanDerWaalsContact O-N 3.11Å
55E94.7Very high93.5Very high36 Ų3661.6 Ų61.617%0.16830%0.303CS..Hα-helixtrans-58.4-48.7175.4178.9177.315500111.7P12 I42 G53 S57 Q58 L59 R83P12-E55 HydrophobicContact CB-CB 4.19Å; I42-E55 HydrophobicContact CD1-CG 3.85Å; I42-E55 HydrophobicContact CG1-CG 4.01Å; G53-E55 PolarHBondContact O-N 2.92Å; E55-S57 VanDerWaalsContact C-N 3.34Å; E55-S57 PolarHBondContact O-N 2.92Å; E55-Q58 WeakPolarHBondContact O-CB 3.42Å; E55-Q58 PolarHBondContact O-N 2.59Å; E55-L59 HydrophobicContact CG-CD1 4.14Å; E55-L59 HydrophobicContact CG-CG 4.46Å; E55-L59 WeakPolarHBondContact O-CG 3.39Å; E55-L59 PolarHBondContact O-N 2.63Å; E55-R83 IonicContact OE1-CZ 3.79Å; E55-R83 VanDerWaalsContact OE1-CZ 3.31Å; E55-R83 IonicContact OE1-NE 2.96Å; E55-R83 PolarHBondContact OE1-NE 3.2Å; E55-R83 IonicContact OE1-NH2 2.73Å; E55-R83 PolarHBondContact OE1-NH2 3.12Å; E55-R83 IonicContact OE2-CZ 3.76Å; E55-R83 IonicContact OE2-NE 3.8Å; E55-R83 PolarHBondContact OE2-NE 3.21Å; E55-R83 IonicContact OE2-NH2 3.65Å
56K95Very high93.7Very high125 Ų12562.5 Ų62.554%0.54331%0.314SS..Hα-helixtrans-56.8-46.7179.3-176.2180176.4-175.50111.6G53 Q58 L59 E60G53-K56 PolarHBondContact O-N 3.11Å; K56-Q58 VanDerWaalsContact C-N 3.3Å; K56-Q58 PolarHBondContact O-N 3.36Å; K56-L59 PolarHBondContact O-N 3.43Å; K56-E60 WeakPolarHBondContact CE-OE1 3.22Å; K56-E60 VanDerWaalsContact CE-OE2 3.24Å; K56-E60 WeakPolarHBondContact CE-OE2 3Å; K56-E60 HydrophobicContact CG-CG 4.08Å; K56-E60 IonicContact NZ-OE1 2.59Å; K56-E60 WeakPolarHBondContact O-CB 3.38Å; K56-E60 WeakPolarHBondContact O-CG 3.4Å; K56-E60 PolarHBondContact O-N 3.39Å
57S93.8Very high94.1Very high7 Ų759.8 Ų59.85%0.04930%0.3CS..Hα-helixtrans-61.8-35.6176.9-178.80000112.3H15 G53 G54 E55 N61 E266H15-S57 WeakPolarHBondContact CB-OG 3.42Å; H15-S57 WeakPolarHBondContact ND1-CB 3.47Å; H15-S57 PolarHBondContact ND1-OG 2.97Å; G53-S57 WeakPolarHBondContact O-CB 3.38Å; G53-S57 PolarHBondContact O-N 3.03Å; G54-S57 PolarHBondContact O-N 3.43Å; E55-S57 VanDerWaalsContact C-N 3.34Å; E55-S57 PolarHBondContact O-N 2.92Å; S57-N61 VanDerWaalsContact O-CB 3.31Å; S57-N61 WeakPolarHBondContact O-CB 3.4Å; S57-N61 PolarHBondContact O-N 3.02Å; S57-N61 PolarHBondContact O-ND2 3.48Å; S57-N61 PolarHBondContact OG-ND2 3.43Å; S57-E266 PolarHBondContact OG-OE2 3.35Å
58Q94.8Very high94.6Very high3 Ų358.4 Ų58.41%0.01429%0.293CS..Hα-helixtrans-62.8-53.1173-59.5-68.5-12.700110.8Y8 P10 G14 G54 E55 K56 L62Y8-Q58 PolarHBondContact OH-OE1 3.33Å; P10-Q58 HydrophobicContact CB-CG 4.16Å; P10-Q58 HydrophobicContact CG-CG 4.3Å; G14-Q58 PolarHBondContact O-NE2 2.75Å; G54-Q58 WeakPolarHBondContact O-CG 3.29Å; G54-Q58 PolarHBondContact O-N 3.43Å; G54-Q58 VanDerWaalsContact O-N 3.11Å; E55-Q58 WeakPolarHBondContact O-CB 3.42Å; E55-Q58 PolarHBondContact O-N 2.59Å; K56-Q58 VanDerWaalsContact C-N 3.3Å; K56-Q58 PolarHBondContact O-N 3.36Å; Q58-L62 VanDerWaalsContact O-CG 3.26Å; Q58-L62 WeakPolarHBondContact O-CG 3.39Å; Q58-L62 PolarHBondContact O-N 2.78Å; Q58-L62 VanDerWaalsContact O-N 3.13Å
59L96.4Very high95Very high13 Ų1351.2 Ų51.27%0.06826%0.261CS..Hα-helixtrans-69.4-47.9-172.7-59.4-177.8000112.6I40 E55 K56 N61 L62 A63 W69I40-L59 HydrophobicContact CG1-CD2 4.44Å; I40-L59 HydrophobicContact CG2-CD2 3.71Å; E55-L59 HydrophobicContact CG-CD1 4.14Å; E55-L59 HydrophobicContact CG-CG 4.46Å; E55-L59 WeakPolarHBondContact O-CG 3.39Å; E55-L59 PolarHBondContact O-N 2.63Å; K56-L59 PolarHBondContact O-N 3.43Å; L59-N61 VanDerWaalsContact C-N 3.33Å; L59-N61 PolarHBondContact O-N 3.08Å; L59-L62 PolarHBondContact O-N 3.15Å; L59-A63 WeakPolarHBondContact O-CB 3.46Å; L59-A63 PolarHBondContact O-N 3.44Å; L59-W69 HydrophobicContact CB-CH2 3.97Å; L59-W69 HydrophobicContact CB-CZ2 4.37Å; L59-W69 HydrophobicContact CD2-CH2 4.14Å; L59-W69 HydrophobicContact CD2-CZ2 4.22Å; L59-W69 WeakPolarHBondContact O-CH2 3.39Å
60E96.9Very high95.4Very high96 Ų9645.6 Ų45.645%0.44924%0.244SC..Hα-helixtrans-64.7-37.3-177.4-71.9-175.4155.200112.3K56 W64K56-E60 WeakPolarHBondContact CE-OE1 3.22Å; K56-E60 VanDerWaalsContact CE-OE2 3.24Å; K56-E60 WeakPolarHBondContact CE-OE2 3Å; K56-E60 HydrophobicContact CG-CG 4.08Å; K56-E60 IonicContact NZ-OE1 2.59Å; K56-E60 WeakPolarHBondContact O-CB 3.38Å; K56-E60 WeakPolarHBondContact O-CG 3.4Å; K56-E60 PolarHBondContact O-N 3.39Å; E60-W64 WeakPolarHBondContact O-CB 3.45Å; E60-W64 PolarHBondContact O-N 2.67Å
61N97.3Very high95.8Very high4 Ų444.5 Ų44.52%0.02124%0.237CC..Hα-helixtrans-76.6-30.5178.5-72-56.8000112.4L16 S57 L59 L65 I265L16-N61 HydrophobicContact CB-CB 4.14Å; L16-N61 HydrophobicContact CD2-CB 3.54Å; L16-N61 HydrophobicContact CG-CB 4.45Å; S57-N61 VanDerWaalsContact O-CB 3.31Å; S57-N61 WeakPolarHBondContact O-CB 3.4Å; S57-N61 PolarHBondContact O-N 3.02Å; S57-N61 PolarHBondContact O-ND2 3.48Å; S57-N61 PolarHBondContact OG-ND2 3.43Å; L59-N61 VanDerWaalsContact C-N 3.33Å; L59-N61 PolarHBondContact O-N 3.08Å; N61-L65 VanDerWaalsContact O-CG 3.28Å; N61-L65 WeakPolarHBondContact O-CG 2.96Å; N61-L65 PolarHBondContact O-N 3.03Å; N61-I265 HydrophobicContact CB-CB 4.09Å; N61-I265 HydrophobicContact CB-CG2 3.88Å
62L97.9Very high96.1Very high0 Ų041.4 Ų41.40%022%0.221CC..Hα-helixtrans-66.1-45.4169.2-73.5177.5000111.5Y8 L16 A24 I40 Q58 L59 W64 L65 G66 I67 W69Y8-L62 HydrophobicContact CD1-CD1 3.57Å; Y8-L62 HydrophobicContact CE1-CD1 3.63Å; L16-L62 HydrophobicContact CD1-CD2 4.39Å; L16-L62 HydrophobicContact CD2-CD2 3.87Å; L16-L62 HydrophobicContact CD2-CG 3.94Å; A24-L62 HydrophobicContact CB-CD1 4.13Å; A24-L62 HydrophobicContact CB-CD2 3.46Å; A24-L62 VanDerWaalsContact CB-CD2 3.46Å; A24-L62 HydrophobicContact CB-CG 4.47Å; I40-L62 HydrophobicContact CD1-CD1 4.34Å; Q58-L62 VanDerWaalsContact O-CG 3.26Å; Q58-L62 WeakPolarHBondContact O-CG 3.39Å; Q58-L62 PolarHBondContact O-N 2.78Å; Q58-L62 VanDerWaalsContact O-N 3.13Å; L59-L62 PolarHBondContact O-N 3.15Å; L62-W64 VanDerWaalsContact C-N 3.29Å; L62-W64 PolarHBondContact O-N 2.95Å; L62-L65 WeakPolarHBondContact O-CB 3.34Å; L62-L65 PolarHBondContact O-N 3.34Å; L62-L65 VanDerWaalsContact O-N 3.14Å; L62-G66 PolarHBondContact O-N 3.44Å; L62-I67 HydrophobicContact CB-CB 4.41Å; L62-I67 HydrophobicContact CD2-CD1 3.85Å; L62-I67 WeakPolarHBondContact O-CB 3.34Å; L62-I67 PolarHBondContact O-N 3.35Å; L62-W69 HydrophobicContact CB-CZ3 3.89Å
63A97.8Very high96.5Very high56 Ų5632.9 Ų32.946%0.46318%0.183SC..Hα-helixtrans-60.9-40.4175.600000111.4L59 L65 G66 W69L59-A63 WeakPolarHBondContact O-CB 3.46Å; L59-A63 PolarHBondContact O-N 3.44Å; A63-L65 VanDerWaalsContact C-N 3.32Å; A63-L65 PolarHBondContact O-N 3.07Å; A63-G66 PolarHBondContact O-N 3.32Å; A63-W69 HydrophobicContact CB-CH2 4.24Å
64W98Very high96.7Very high48 Ų4838.3 Ų38.318%0.18220%0.198CC..Hα-helixtrans-60.6-39.8174.4177.172.7000112.5E60 L62 G66 I265 R269 Y273 P275 M278E60-W64 WeakPolarHBondContact O-CB 3.45Å; E60-W64 PolarHBondContact O-N 2.67Å; L62-W64 VanDerWaalsContact C-N 3.29Å; L62-W64 PolarHBondContact O-N 2.95Å; W64-G66 PolarHBondContact O-N 2.97Å; W64-G66 VanDerWaalsContact O-N 3.11Å; W64-I265 HydrophobicContact CE3-CG2 3.67Å; W64-I265 HydrophobicContact CZ3-CG2 3.67Å; W64-R269 HydrophobicContact CD2-CB 4.1Å; W64-R269 HydrophobicContact CD2-CG 3.98Å; W64-R269 HydrophobicContact CE3-CB 4.22Å; W64-R269 HydrophobicContact CG-CG 4.35Å; W64-R269 HydrophobicContact CH2-CB 3.85Å; W64-R269 HydrophobicContact CH2-CG 4.45Å; W64-R269 HydrophobicContact CZ2-CB 3.7Å; W64-R269 HydrophobicContact CZ2-CG 3.81Å; W64-R269 HydrophobicContact CZ3-CB 4.11Å; W64-Y273 VanDerWaalsContact CZ2-O 3.28Å; W64-Y273 WeakPolarHBondContact CZ2-O 3.21Å; W64-P275 HydrophobicContact CD2-CB 4.18Å; W64-P275 HydrophobicContact CE3-CB 4.46Å; W64-P275 HydrophobicContact CH2-CB 4.42Å; W64-P275 HydrophobicContact CZ2-CB 4.12Å; W64-P275 WeakPolarHBondContact O-CB 3.37Å; W64-M278 HydrophobicContact CH2-CG 4Å; W64-M278 HydrophobicContact CZ3-CB 4.45Å; W64-M278 HydrophobicContact CZ3-CG 4.13Å
65L98.3Very high96.9Very high3 Ų342.7 Ų42.72%0.01622%0.221CC..THydrogen-bonded Turntrans-68.2-0.4173.5-70.3171.4000113.8L16 A21 N61 L62 A63 I67 I265 M278 F279 I282L16-L65 HydrophobicContact CD2-CD1 4.42Å; A21-L65 HydrophobicContact CB-CD1 4.12Å; N61-L65 VanDerWaalsContact O-CG 3.28Å; N61-L65 WeakPolarHBondContact O-CG 2.96Å; N61-L65 PolarHBondContact O-N 3.03Å; L62-L65 WeakPolarHBondContact O-CB 3.34Å; L62-L65 PolarHBondContact O-N 3.34Å; L62-L65 VanDerWaalsContact O-N 3.14Å; A63-L65 VanDerWaalsContact C-N 3.32Å; A63-L65 PolarHBondContact O-N 3.07Å; L65-I67 VanDerWaalsContact C-N 3.35Å; L65-I67 HydrophobicContact CB-CD1 4.07Å; L65-I67 HydrophobicContact CB-CG1 4.18Å; L65-I67 HydrophobicContact CD1-CD1 4.3Å; L65-I265 HydrophobicContact CD1-CD1 4.35Å; L65-I265 HydrophobicContact CD1-CG1 4.28Å; L65-I265 HydrophobicContact CD1-CG2 4.03Å; L65-I265 HydrophobicContact CD2-CG2 4.19Å; L65-I265 HydrophobicContact CG-CG2 4.03Å; L65-M278 HydrophobicContact CD2-CB 3.49Å; L65-M278 VanDerWaalsContact CD2-CB 3.49Å; L65-M278 HydrophobicContact CD2-CG 4.43Å; L65-F279 WeakPolarHBondContact O-CD2 3.31Å; L65-I282 HydrophobicContact CD1-CD1 4.35Å; L65-I282 HydrophobicContact CD2-CD1 4.48Å
66G97.4Very high96.9Very high30 Ų3043.7 Ų43.731%0.30923%0.231SC..THydrogen-bonded Turntrans75.323.2-176.400000113.5L62 A63 W64 Q298L62-G66 PolarHBondContact O-N 3.44Å; A63-G66 PolarHBondContact O-N 3.32Å; W64-G66 PolarHBondContact O-N 2.97Å; W64-G66 VanDerWaalsContact O-N 3.11Å; G66-Q298 PolarHBondContact O-NE2 3.31Å
67I98.3Very high96.8Very high2 Ų240.4 Ų40.41%0.0123%0.233CC..  trans-97.999.5177.6-60.1171.2000108.5L25 Y28 F38 L62 L65 W69 F279L25-I67 HydrophobicContact CB-CD1 4.12Å; L25-I67 HydrophobicContact CD1-CD1 4.11Å; L25-I67 HydrophobicContact CD1-CG1 4.4Å; Y28-I67 HydrophobicContact CD2-CG2 3.75Å; Y28-I67 HydrophobicContact CE2-CG2 4.47Å; Y28-I67 HydrophobicContact CG-CG2 3.82Å; F38-I67 HydrophobicContact CD1-CG2 4.38Å; F38-I67 HydrophobicContact CE1-CG2 3.65Å; F38-I67 HydrophobicContact CZ-CG2 4.35Å; L62-I67 HydrophobicContact CB-CB 4.41Å; L62-I67 HydrophobicContact CD2-CD1 3.85Å; L62-I67 WeakPolarHBondContact O-CB 3.34Å; L62-I67 PolarHBondContact O-N 3.35Å; L65-I67 VanDerWaalsContact C-N 3.35Å; L65-I67 HydrophobicContact CB-CD1 4.07Å; L65-I67 HydrophobicContact CB-CG1 4.18Å; L65-I67 HydrophobicContact CD1-CD1 4.3Å; I67-W69 WeakPolarHBondContact O-CZ3 3.41Å; I67-F279 HydrophobicContact CG1-CD2 4.17Å; I67-F279 HydrophobicContact CG1-CE2 4.02Å
68D97.2Very high96.8Very high81 Ų8148 Ų4843%0.43327%0.265SS..  trans-86.1164.5171.771.3-63.9000111.8Y28 R32 F38Y28-D68 WeakPolarHBondContact CD2-O 3.44Å; Y28-D68 WeakPolarHBondContact CE2-OD1 3.49Å; Y28-D68 PolarHBondContact OH-OD1 3.5Å; R32-D68 IonicContact CZ-OD2 3.6Å; R32-D68 IonicContact NE-OD1 3.29Å; R32-D68 IonicContact NE-OD2 2.88Å; R32-D68 PolarHBondContact NH2-O 3.01Å; R32-D68 IonicContact NH2-OD1 3.77Å; R32-D68 IonicContact NH2-OD2 2.7Å; R32-D68 PolarHBondContact NH2-OD2 2.96Å; F38-D68 VanDerWaalsContact CD1-O 3.27Å; F38-D68 WeakPolarHBondContact CD1-O 3.43Å
69W98Very high96.9Very high53 Ų5350.5 Ų50.520%0.20128%0.275CS..  trans-140.5153.2-178.350.673.9000111.8F38 I40 L59 L62 A63 I67 S72F38-W69 HydrophobicContact CD1-CB 3.79Å; F38-W69 HydrophobicContact CE1-CB 4.19Å; F38-W69 WeakPolarHBondContact O-CB 3.4Å; I40-W69 HydrophobicContact CD1-CB 4.13Å; I40-W69 HydrophobicContact CD1-CD2 4.18Å; I40-W69 HydrophobicContact CD1-CE3 4.03Å; I40-W69 HydrophobicContact CD1-CG 4.25Å; I40-W69 HydrophobicContact CG1-CB 3.73Å; I40-W69 HydrophobicContact CG1-CD2 3.57Å; I40-W69 HydrophobicContact CG1-CE3 3.92Å; I40-W69 HydrophobicContact CG1-CG 3.5Å; I40-W69 VanDerWaalsContact CG1-CG 3.5Å; L59-W69 HydrophobicContact CB-CH2 3.97Å; L59-W69 HydrophobicContact CB-CZ2 4.37Å; L59-W69 HydrophobicContact CD2-CH2 4.14Å; L59-W69 HydrophobicContact CD2-CZ2 4.22Å; L59-W69 WeakPolarHBondContact O-CH2 3.39Å; L62-W69 HydrophobicContact CB-CZ3 3.89Å; A63-W69 HydrophobicContact CB-CH2 4.24Å; I67-W69 WeakPolarHBondContact O-CZ3 3.41Å; W69-S72 VanDerWaalsContact CD1-CB 3.49Å; W69-S72 PolarHBondContact NE1-OG 3.43Å
70D98.2Very high96.9Very high57 Ų5751.3 Ų51.331%0.30529%0.286SS..SBendtrans-87.7-36.3-174.6-59-77.9000112.2R32 E37 F38 N75R32-D70 IonicContact CZ-OD2 2.88Å; R32-D70 IonicContact NH1-OD1 3.74Å; R32-D70 IonicContact NH1-OD2 2.64Å; R32-D70 PolarHBondContact NH1-OD2 3.44Å; R32-D70 IonicContact NH2-OD1 2.72Å; R32-D70 IonicContact NH2-OD2 3.62Å; R32-D70 PolarHBondContact NH2-OD2 2.89Å; E37-D70 VanDerWaalsContact CA-OD2 3.31Å; E37-D70 WeakPolarHBondContact CA-OD2 3.47Å; E37-D70 HydrophobicContact CB-CB 4.15Å; E37-D70 HydrophobicContact CG-CB 4.24Å; F38-D70 PolarHBondContact N-OD2 2.83Å; F38-D70 PolarHBondContact O-N 3.24Å; D70-N75 PolarHBondContact O-ND2 3.23Å; D70-N75 VanDerWaalsContact O-ND2 3.14Å
71E98.5Very high96.9Very high17 Ų1748.9 Ų48.98%0.07928%0.278CS..BIsolated β-bridgetrans-137.5139.9-179.8-61.8172.3-179.100110.2R5 I39 I40 N75 Y82R5-E71 IonicContact CZ-OE1 3.16Å; R5-E71 IonicContact CZ-OE2 3.34Å; R5-E71 IonicContact NH1-OE1 3.43Å; R5-E71 PolarHBondContact NH1-OE1 2.89Å; R5-E71 IonicContact NH1-OE2 3.67Å; R5-E71 IonicContact NH2-OE1 2.82Å; R5-E71 PolarHBondContact NH2-OE1 3.49Å; R5-E71 IonicContact NH2-OE2 2.86Å; R5-E71 PolarHBondContact NH2-OE2 2.88Å; I39-E71 WeakPolarHBondContact CA-O 3.28Å; I39-E71 HydrophobicContact CG1-CB 3.99Å; I39-E71 HydrophobicContact CG1-CG 4.43Å; I39-E71 HydrophobicContact CG2-CB 4.19Å; I40-E71 PolarHBondContact N-O 3.33Å; E71-N75 WeakPolarHBondContact CA-O 3.43Å; E71-Y82 HydrophobicContact CB-CE1 4.42Å; E71-Y82 HydrophobicContact CB-CE2 3.8Å; E71-Y82 PolarHBondContact OE2-OH 3.49Å
72S98Very high97Very high1 Ų148.7 Ų48.71%0.00728%0.277CS..  trans-159.9175.4-177.676.50000111.4W69 E74 N75 P76 Y82W69-S72 VanDerWaalsContact CD1-CB 3.49Å; W69-S72 PolarHBondContact NE1-OG 3.43Å; S72-E74 PolarHBondContact O-N 3.19Å; S72-E74 PolarHBondContact OG-N 3.05Å; S72-N75 PolarHBondContact N-O 3.24Å; S72-N75 CarbonylContact O-C 3.54Å; S72-N75 PolarHBondContact O-N 3.49Å; S72-N75 VanDerWaalsContact O-N 3.13Å; S72-N75 VanDerWaalsContact O-O 3.05Å; S72-N75 PolarHBondContact OG-N 3.1Å; S72-P76 VanDerWaalsContact O-CA 3.3Å; S72-P76 WeakPolarHBondContact O-CA 3.42Å; S72-Y82 VanDerWaalsContact C-CD2 3.47Å; S72-Y82 WeakPolarHBondContact O-CD2 3.41Å
73P97.2Very high97Very high19 Ų1951.3 Ų51.312%0.12329%0.287CS..SBendtrans-55.5-34.9173.3-26.134.4000114.1I42 R83I42-P73 HydrophobicContact CG1-CG 3.68Å; P73-R83 HydrophobicContact CB-CG 4.12Å; P73-R83 VanDerWaalsContact CB-CZ 3.5Å; P73-R83 HydrophobicContact CG-CG 4.08Å
74E95.4Very high97Very high154 Ų15448.7 Ų48.772%0.7227%0.265SS*.SBendtrans-81.4-25.6178.7-62.5-174.3164.100112.8S72S72-E74 PolarHBondContact O-N 3.19Å; S72-E74 PolarHBondContact OG-N 3.05Å
75N96.1Very high96.8Very high91 Ų9148.4 Ų48.449%0.48727%0.27SS..SBendtrans-126.478.4174.1-175.828.3000110.5D70 E71 S72 G77D70-N75 PolarHBondContact O-ND2 3.23Å; D70-N75 VanDerWaalsContact O-ND2 3.14Å; E71-N75 WeakPolarHBondContact CA-O 3.43Å; S72-N75 PolarHBondContact N-O 3.24Å; S72-N75 CarbonylContact O-C 3.54Å; S72-N75 PolarHBondContact O-N 3.49Å; S72-N75 VanDerWaalsContact O-N 3.13Å; S72-N75 VanDerWaalsContact O-O 3.05Å; S72-N75 PolarHBondContact OG-N 3.1Å; N75-G77 PolarHBondContact O-N 3.2Å; N75-G77 VanDerWaalsContact O-N 3.11Å
76P94.3Very high96.8Very high57 Ų5752.7 Ų52.737%0.3729%0.291SS..  trans-74.8-1.3-164.928.2-36.2000115.8S72 K78 G80 Y82S72-P76 VanDerWaalsContact O-CA 3.3Å; S72-P76 WeakPolarHBondContact O-CA 3.42Å; P76-K78 PolarHBondContact O-N 3.4Å; P76-G80 PolarHBondContact O-N 2.96Å; P76-Y82 VanDerWaalsContact C-CE2 3.49Å; P76-Y82 HydrophobicContact CB-CD2 4.22Å; P76-Y82 HydrophobicContact CB-CE2 4.32Å; P76-Y82 WeakPolarHBondContact O-CE2 3.32Å
77G92.8Very high96.8Very high56 Ų5651.6 Ų51.658%0.57728%0.277SS*.THydrogen-bonded Turntrans45.2-131.2175.600000113.4N75N75-G77 PolarHBondContact O-N 3.2Å; N75-G77 VanDerWaalsContact O-N 3.11Å
78K94.3Very high96.6Very high168 Ų16857.3 Ų57.373%0.7330%0.298SS*.THydrogen-bonded Turntrans-94.8-25.4-177-175.9175.5176-175.60114.4P76P76-K78 PolarHBondContact O-N 3.4Å
79Y97.2Very high96.5Very high55 Ų5560.3 Ų60.322%0.21631%0.314CS..THydrogen-bonded Turntrans-114.15.7-167.8-48.1-78.8000114R5 Y82 R87 L206 K208R5-Y79 VanDerWaalsContact NH2-CD2 3.25Å; Y79-Y82 WeakPolarHBondContact CB-OH 3.44Å; Y79-R87 PolarHBondContact O-NH1 3.39Å; Y79-L206 WeakPolarHBondContact CD1-O 3.42Å; Y79-K208 HydrophobicContact CE1-CG 3.94Å
80G95.3Very high96.4Very high29 Ų2959.9 Ų59.930%0.29932%0.318SS..  trans-59.2169.7172.500000113.3P76P76-G80 PolarHBondContact O-N 2.96Å
81P98Very high96.4Very high45 Ų4557.2 Ų57.229%0.29230%0.303SS..  cis-68.3154.80.922.9-27.4000112.7E86 R87P81-E86 HydrophobicContact CB-CB 3.86Å; P81-E86 WeakPolarHBondContact CB-OE2 3.36Å; P81-E86 HydrophobicContact CG-CB 3.87Å; P81-R87 HydrophobicContact CG-CG 3.77Å; P81-R87 WeakPolarHBondContact O-CD 3.08Å; P81-R87 PolarHBondContact O-NH1 2.89Å
82Y98.3Very high96.4Very high0 Ų059 Ų590%031%0.312CS..  trans-102.97.3-178.7-73.8-78.5000114.3I39 I40 R41 I42 E71 S72 P76 Y79 M207I39-Y82 HydrophobicContact CG2-CD1 3.72Å; I39-Y82 HydrophobicContact CG2-CE1 3.38Å; I40-Y82 WeakPolarHBondContact O-CB 3.34Å; R41-Y82 CarbonylContact C-O 3.52Å; R41-Y82 WeakPolarHBondContact CA-O 3.17Å; R41-Y82 HydrophobicContact CB-CD1 4.44Å; I42-Y82 PolarHBondContact N-O 2.71Å; E71-Y82 HydrophobicContact CB-CE1 4.42Å; E71-Y82 HydrophobicContact CB-CE2 3.8Å; E71-Y82 PolarHBondContact OE2-OH 3.49Å; S72-Y82 VanDerWaalsContact C-CD2 3.47Å; S72-Y82 WeakPolarHBondContact O-CD2 3.41Å; P76-Y82 VanDerWaalsContact C-CE2 3.49Å; P76-Y82 HydrophobicContact CB-CD2 4.22Å; P76-Y82 HydrophobicContact CB-CE2 4.32Å; P76-Y82 WeakPolarHBondContact O-CE2 3.32Å; Y79-Y82 WeakPolarHBondContact CB-OH 3.44Å; Y82-M207 HydrophobicContact CD1-CE 3.44Å; Y82-M207 VanDerWaalsContact CD1-CE 3.44Å; Y82-M207 HydrophobicContact CD1-SD 3.74Å; Y82-M207 HydrophobicContact CE1-CE 3.64Å; Y82-M207 HydrophobicContact CE1-CG 4.08Å; Y82-M207 HydrophobicContact CE1-SD 3.55Å; Y82-M207 VanDerWaalsContact CE1-SD 3.55Å; Y82-M207 HydrophobicContact CG-CE 4.36Å
83R97.8Very high96.4Very high56 Ų5662.4 Ų62.421%0.21133%0.334CS..BIsolated β-bridgetrans-98.2129.6164-53.9-162.6-179.377.26.4109.3I42 E55 P73 S85 E86 R87I42-R83 HydrophobicContact CB-CG 4.17Å; I42-R83 HydrophobicContact CG1-CG 4.45Å; E55-R83 IonicContact OE1-CZ 3.79Å; E55-R83 VanDerWaalsContact OE1-CZ 3.31Å; E55-R83 IonicContact OE1-NE 2.96Å; E55-R83 PolarHBondContact OE1-NE 3.2Å; E55-R83 IonicContact OE1-NH2 2.73Å; E55-R83 PolarHBondContact OE1-NH2 3.12Å; E55-R83 IonicContact OE2-CZ 3.76Å; E55-R83 IonicContact OE2-NE 3.8Å; E55-R83 PolarHBondContact OE2-NE 3.21Å; E55-R83 IonicContact OE2-NH2 3.65Å; P73-R83 HydrophobicContact CB-CG 4.12Å; P73-R83 VanDerWaalsContact CB-CZ 3.5Å; P73-R83 HydrophobicContact CG-CG 4.08Å; R83-S85 PolarHBondContact O-N 3.2Å; R83-E86 HydrophobicContact CB-CB 4.39Å; R83-E86 HydrophobicContact CB-CG 3.96Å; R83-E86 VanDerWaalsContact CD-OE1 3.29Å; R83-E86 WeakPolarHBondContact CD-OE1 3.45Å; R83-E86 IonicContact CZ-OE1 3.93Å; R83-E86 IonicContact NE-OE1 2.65Å; R83-E86 IonicContact NH1-OE1 2.78Å; R83-E86 PolarHBondContact NH1-OE1 3.31Å; R83-E86 PolarHBondContact O-N 3.44Å; R83-E86 VanDerWaalsContact O-N 3.11Å; R83-R87 WeakPolarHBondContact O-CG 3.11Å
84Q97.8Very high96.5Very high0 Ų062.6 Ų62.60%033%0.334CS..G310 helixtrans-66.5-29.2-179.1-67.7-167-40.300112.2R41 I42 E43 D44 T45 E86 R87 Y91 D203R41-Q84 HydrophobicContact CG-CG 4.47Å; I42-Q84 PolarHBondContact O-N 3.38Å; E43-Q84 HydrophobicContact CG-CG 4.43Å; D44-Q84 PolarHBondContact OD1-N 3.36Å; T45-Q84 HydrophobicContact CG2-CB 3.56Å; T45-Q84 HydrophobicContact CG2-CG 4.47Å; Q84-E86 PolarHBondContact O-N 3.49Å; Q84-R87 PolarHBondContact O-N 3.27Å; Q84-R87 VanDerWaalsContact O-N 3.12Å; Q84-Y91 WeakPolarHBondContact CB-OH 3.26Å; Q84-Y91 WeakPolarHBondContact CG-OH 3.2Å; Q84-Y91 WeakPolarHBondContact O-CE2 3.46Å; Q84-D203 WeakPolarHBondContact CG-OD2 3.35Å; Q84-D203 PolarHBondContact NE2-OD2 3.45Å
85S95.4Very high96.6Very high42 Ų4255.3 Ų55.329%0.29430%0.299SS..G310 helixtrans-58.4-28.7171.962.20000113.7D44 R83D44-S85 VanDerWaalsContact CG-OG 3.31Å; D44-S85 PolarHBondContact OD1-N 3.04Å; D44-S85 PolarHBondContact OD1-OG 2.98Å; D44-S85 WeakPolarHBondContact OD2-CB 3.44Å; D44-S85 PolarHBondContact OD2-OG 3.45Å; R83-S85 PolarHBondContact O-N 3.2Å
86E96.6Very high96.7Very high94 Ų9454 Ų5444%0.43929%0.293SS..G310 helixtrans-88.8-1.3-179.7-62.1169.6-169.400112.8P81 R83 Q84P81-E86 HydrophobicContact CB-CB 3.86Å; P81-E86 WeakPolarHBondContact CB-OE2 3.36Å; P81-E86 HydrophobicContact CG-CB 3.87Å; R83-E86 HydrophobicContact CB-CB 4.39Å; R83-E86 HydrophobicContact CB-CG 3.96Å; R83-E86 VanDerWaalsContact CD-OE1 3.29Å; R83-E86 WeakPolarHBondContact CD-OE1 3.45Å; R83-E86 IonicContact CZ-OE1 3.93Å; R83-E86 IonicContact NE-OE1 2.65Å; R83-E86 IonicContact NH1-OE1 2.78Å; R83-E86 PolarHBondContact NH1-OE1 3.31Å; R83-E86 PolarHBondContact O-N 3.44Å; R83-E86 VanDerWaalsContact O-N 3.11Å; Q84-E86 PolarHBondContact O-N 3.49Å
87R97.2Very high96.9Very high7 Ų755.5 Ų55.53%0.02630%0.295CS..  trans-107.515.7-170.1-67.9174.174.275.51.6114.2Y79 P81 R83 Q84 D89 V90 Y91 D203Y79-R87 PolarHBondContact O-NH1 3.39Å; P81-R87 HydrophobicContact CG-CG 3.77Å; P81-R87 WeakPolarHBondContact O-CD 3.08Å; P81-R87 PolarHBondContact O-NH1 2.89Å; R83-R87 WeakPolarHBondContact O-CG 3.11Å; Q84-R87 PolarHBondContact O-N 3.27Å; Q84-R87 VanDerWaalsContact O-N 3.12Å; R87-D89 PolarHBondContact O-N 3.11Å; R87-D89 VanDerWaalsContact O-N 3.15Å; R87-V90 HydrophobicContact CB-CB 4.44Å; R87-V90 HydrophobicContact CB-CG2 4.4Å; R87-V90 WeakPolarHBondContact O-CA 3.48Å; R87-V90 VanDerWaalsContact O-CB 3.27Å; R87-V90 WeakPolarHBondContact O-CB 3.36Å; R87-V90 PolarHBondContact O-N 2.76Å; R87-Y91 HydrophobicContact CB-CD2 4.21Å; R87-Y91 HydrophobicContact CB-CE1 4.38Å; R87-Y91 HydrophobicContact CB-CE2 3.41Å; R87-Y91 VanDerWaalsContact CB-CE2 3.41Å; R87-Y91 WeakPolarHBondContact CB-OH 3.48Å; R87-Y91 WeakPolarHBondContact O-CD2 3.37Å; R87-Y91 WeakPolarHBondContact O-CE2 3.46Å; R87-Y91 PolarHBondContact O-N 2.68Å; R87-D203 IonicContact CZ-OD1 3.58Å; R87-D203 IonicContact NE-OD1 3.71Å; R87-D203 PolarHBondContact NE-OD1 3.24Å; R87-D203 IonicContact NE-OD2 3.64Å; R87-D203 IonicContact NH2-OD1 3.38Å; R87-D203 PolarHBondContact NH2-OD1 2.84Å
88R93.9Very high97.2Very high121 Ų12153 Ų5346%0.45727%0.268SS..Hα-helixtrans-51.6-41.5-178.4-171.1176178.8163.81.5113.3V90 Y91 Q92R88-V90 PolarHBondContact O-N 2.85Å; R88-Y91 PolarHBondContact O-N 3.39Å; R88-Y91 VanDerWaalsContact O-N 3.14Å; R88-Q92 PolarHBondContact O-N 2.99Å
89D95.6Very high97.4Very high144 Ų14447.4 Ų47.477%0.7725%0.246SC*.Hα-helixtrans-69-18.5-179.7-62.2-25.1000113.4R87 P93R87-D89 PolarHBondContact O-N 3.11Å; R87-D89 VanDerWaalsContact O-N 3.15Å; D89-P93 WeakPolarHBondContact O-CD 3.43Å; D89-P93 WeakPolarHBondContact O-CG 3.22Å
90V97.2Very high97.4Very high44 Ų4452 Ų5227%0.26727%0.271SS..Hα-helixtrans-79.8-40.6172.1-179.40000110.5R87 R88 V202 L206R87-V90 HydrophobicContact CB-CB 4.44Å; R87-V90 HydrophobicContact CB-CG2 4.4Å; R87-V90 WeakPolarHBondContact O-CA 3.48Å; R87-V90 VanDerWaalsContact O-CB 3.27Å; R87-V90 WeakPolarHBondContact O-CB 3.36Å; R87-V90 PolarHBondContact O-N 2.76Å; R88-V90 PolarHBondContact O-N 2.85Å; V90-V202 HydrophobicContact CG1-CG1 4.28Å; V90-L206 HydrophobicContact CG1-CD1 3.19Å
91Y98.1Very high97.4Very high2 Ų253.9 Ų53.91%0.00828%0.279CS..Hα-helixtrans-78-40.6-174-54.6-50.6000113.3Q84 R87 R88 L94 I95 P194 F198 A199 V202 D203Q84-Y91 WeakPolarHBondContact CB-OH 3.26Å; Q84-Y91 WeakPolarHBondContact CG-OH 3.2Å; Q84-Y91 WeakPolarHBondContact O-CE2 3.46Å; R87-Y91 HydrophobicContact CB-CD2 4.21Å; R87-Y91 HydrophobicContact CB-CE1 4.38Å; R87-Y91 HydrophobicContact CB-CE2 3.41Å; R87-Y91 VanDerWaalsContact CB-CE2 3.41Å; R87-Y91 WeakPolarHBondContact CB-OH 3.48Å; R87-Y91 WeakPolarHBondContact O-CD2 3.37Å; R87-Y91 WeakPolarHBondContact O-CE2 3.46Å; R87-Y91 PolarHBondContact O-N 2.68Å; R88-Y91 PolarHBondContact O-N 3.39Å; R88-Y91 VanDerWaalsContact O-N 3.14Å; Y91-L94 PolarHBondContact O-N 3.08Å; Y91-I95 WeakPolarHBondContact O-CG1 3.34Å; Y91-I95 PolarHBondContact O-N 3.33Å; Y91-P194 HydrophobicContact CD2-CB 4.32Å; Y91-P194 HydrophobicContact CD2-CG 3.45Å; Y91-P194 VanDerWaalsContact CD2-CG 3.45Å; Y91-P194 HydrophobicContact CE2-CG 3.65Å; Y91-P194 HydrophobicContact CG-CB 4.34Å; Y91-P194 HydrophobicContact CG-CG 3.93Å; Y91-F198 HydrophobicContact CD1-CE1 4.38Å; Y91-A199 HydrophobicContact CE1-CB 4.16Å; Y91-V202 HydrophobicContact CD1-CB 4.25Å; Y91-V202 HydrophobicContact CD1-CG1 3.85Å; Y91-V202 HydrophobicContact CE1-CB 4.26Å; Y91-V202 HydrophobicContact CE1-CG1 3.97Å; Y91-D203 WeakPolarHBondContact CE1-OD1 3.48Å; Y91-D203 PolarHBondContact OH-OD1 3.08Å; Y91-D203 PolarHBondContact OH-OD2 3.33Å
92Q97.8Very high97.4Very high54 Ų5456.4 Ų56.425%0.25229%0.291SS..Hα-helixtrans-59-47.8-172.6-172.264.855.700113.1R88 L94 I95 D96R88-Q92 PolarHBondContact O-N 2.99Å; Q92-L94 PolarHBondContact O-N 3.32Å; Q92-I95 WeakPolarHBondContact O-CB 3.26Å; Q92-I95 PolarHBondContact O-N 3.04Å; Q92-I95 VanDerWaalsContact O-N 3.12Å; Q92-D96 PolarHBondContact NE2-OD1 2.87Å; Q92-D96 PolarHBondContact O-N 2.92Å
93P98.3Very high97.3Very high72 Ų7259.4 Ų59.447%0.46831%0.306SS..Hα-helixtrans-60.9-32.7179-24.135.5000113.5D89 D96 Q97D89-P93 WeakPolarHBondContact O-CD 3.43Å; D89-P93 WeakPolarHBondContact O-CG 3.22Å; P93-D96 PolarHBondContact O-N 3.47Å; P93-Q97 WeakPolarHBondContact O-CB 3.47Å; P93-Q97 PolarHBondContact O-N 3.21Å
94L98.6Very high97.4Very high24 Ų2456.8 Ų56.813%0.12630%0.297CS..Hα-helixtrans-73.6-37.4178-65.7171.6000111.5Y91 Q92 Q97 L98 F198 V202 F232 W234Y91-L94 PolarHBondContact O-N 3.08Å; Q92-L94 PolarHBondContact O-N 3.32Å; L94-Q97 PolarHBondContact O-N 2.72Å; L94-L98 WeakPolarHBondContact O-CG 3.45Å; L94-L98 PolarHBondContact O-N 3.44Å; L94-L98 VanDerWaalsContact O-N 3.08Å; L94-F198 HydrophobicContact CB-CZ 3.96Å; L94-V202 HydrophobicContact CD1-CB 4.38Å; L94-V202 HydrophobicContact CD1-CG1 3.47Å; L94-V202 VanDerWaalsContact CD1-CG1 3.47Å; L94-V202 HydrophobicContact CD1-CG2 4.01Å; L94-F232 HydrophobicContact CB-CE1 4.2Å; L94-F232 HydrophobicContact CB-CZ 3.78Å; L94-F232 HydrophobicContact CD2-CD1 4.4Å; L94-F232 HydrophobicContact CD2-CE1 3.86Å; L94-F232 HydrophobicContact CD2-CZ 4.15Å; L94-F232 WeakPolarHBondContact O-CZ 3.06Å; L94-W234 HydrophobicContact CD1-CH2 4.1Å; L94-W234 HydrophobicContact CD2-CH2 4.34Å; L94-W234 HydrophobicContact CD2-CZ2 4.08Å
95I98.6Very high97.4Very high0 Ų057.2 Ų57.20%030%0.299CS..Hα-helixtrans-63-45.1171.7-68.4162.9000110Y91 Q92 Q97 L98 L99 I154 Q188 F198Y91-I95 WeakPolarHBondContact O-CG1 3.34Å; Y91-I95 PolarHBondContact O-N 3.33Å; Q92-I95 WeakPolarHBondContact O-CB 3.26Å; Q92-I95 PolarHBondContact O-N 3.04Å; Q92-I95 VanDerWaalsContact O-N 3.12Å; I95-Q97 VanDerWaalsContact C-N 3.29Å; I95-Q97 PolarHBondContact O-N 3.48Å; I95-L98 PolarHBondContact O-N 3.25Å; I95-L98 VanDerWaalsContact O-N 3.14Å; I95-L99 HydrophobicContact CG2-CD1 4.09Å; I95-L99 WeakPolarHBondContact O-CG 3.27Å; I95-L99 PolarHBondContact O-N 3.2Å; I95-I154 HydrophobicContact CG2-CB 4.39Å; I95-I154 HydrophobicContact CG2-CG1 4.13Å; I95-I154 HydrophobicContact CG2-CG2 4.08Å; I95-Q188 HydrophobicContact CD1-CB 3.96Å; I95-Q188 HydrophobicContact CD1-CG 4.03Å; I95-F198 HydrophobicContact CD1-CD1 4.45Å; I95-F198 HydrophobicContact CD1-CE1 3.89Å; I95-F198 HydrophobicContact CD1-CZ 4.42Å; I95-F198 HydrophobicContact CG1-CD1 4.35Å; I95-F198 HydrophobicContact CG1-CE1 3.56Å; I95-F198 HydrophobicContact CG1-CE2 4.4Å; I95-F198 HydrophobicContact CG1-CZ 3.59Å
96D98.3Very high97.5Very high64 Ų6458.3 Ų58.334%0.34230%0.298SS..Hα-helixtrans-60.5-41177.3-62.1-21000110.9Q92 P93 L98 L99 M100Q92-D96 PolarHBondContact NE2-OD1 2.87Å; Q92-D96 PolarHBondContact O-N 2.92Å; P93-D96 PolarHBondContact O-N 3.47Å; D96-L98 PolarHBondContact O-N 3.43Å; D96-L99 PolarHBondContact O-N 3.33Å; D96-M100 WeakPolarHBondContact O-CB 3.39Å; D96-M100 VanDerWaalsContact O-CG 3.31Å; D96-M100 WeakPolarHBondContact O-CG 3.26Å; D96-M100 PolarHBondContact O-N 3.31Å
97Q98.4Very high97.6Very high89 Ų8953.8 Ų53.842%0.41628%0.277SS..Hα-helixtrans-60.3-41.3174.3-177.6-179-15.500112.9P93 L94 I95 S101 F232P93-Q97 WeakPolarHBondContact O-CB 3.47Å; P93-Q97 PolarHBondContact O-N 3.21Å; L94-Q97 PolarHBondContact O-N 2.72Å; I95-Q97 VanDerWaalsContact C-N 3.29Å; I95-Q97 PolarHBondContact O-N 3.48Å; Q97-S101 WeakPolarHBondContact O-CB 3.37Å; Q97-S101 PolarHBondContact O-N 3.3Å; Q97-S101 PolarHBondContact O-OG 2.98Å; Q97-F232 HydrophobicContact CB-CE1 4.4Å; Q97-F232 HydrophobicContact CG-CE1 4.33Å
98L98.6Very high97.6Very high2 Ų253.8 Ų53.81%0.0128%0.277CS..Hα-helixtrans-68.7-38176.4-67.9174.6000111.9L94 I95 D96 S101 N102 L103 A104 F156 I187 F198 A231 F232L94-L98 WeakPolarHBondContact O-CG 3.45Å; L94-L98 PolarHBondContact O-N 3.44Å; L94-L98 VanDerWaalsContact O-N 3.08Å; I95-L98 PolarHBondContact O-N 3.25Å; I95-L98 VanDerWaalsContact O-N 3.14Å; D96-L98 PolarHBondContact O-N 3.43Å; L98-S101 PolarHBondContact O-N 3.42Å; L98-N102 PolarHBondContact O-N 3.29Å; L98-L103 HydrophobicContact CB-CB 4.42Å; L98-L103 HydrophobicContact CD2-CB 3.86Å; L98-L103 HydrophobicContact CD2-CD1 4.03Å; L98-L103 PolarHBondContact O-N 2.88Å; L98-A104 HydrophobicContact CB-CB 3.73Å; L98-A104 PolarHBondContact O-N 2.96Å; L98-F156 HydrophobicContact CD1-CD2 4.31Å; L98-I187 HydrophobicContact CD1-CD1 3.84Å; L98-F198 HydrophobicContact CD1-CD2 4.44Å; L98-F198 HydrophobicContact CD1-CE2 3.71Å; L98-A231 HydrophobicContact CD2-CB 4.01Å; L98-F232 HydrophobicContact CD1-CE2 3.91Å; L98-F232 HydrophobicContact CD1-CZ 3.65Å; L98-F232 HydrophobicContact CD2-CE1 3.99Å; L98-F232 HydrophobicContact CD2-CE2 4.11Å; L98-F232 HydrophobicContact CD2-CZ 3.74Å; L98-F232 HydrophobicContact CG-CE1 3.99Å; L98-F232 HydrophobicContact CG-CE2 4.13Å; L98-F232 HydrophobicContact CG-CZ 3.48Å; L98-F232 VanDerWaalsContact CG-CZ 3.48Å
99L97.7Very high97.7Very high51 Ų5148.1 Ų48.127%0.26726%0.256SS..Hα-helixtrans-62.5-48174-73.6167.9000111I95 D96 S101 N102 A104 I154I95-L99 HydrophobicContact CG2-CD1 4.09Å; I95-L99 WeakPolarHBondContact O-CG 3.27Å; I95-L99 PolarHBondContact O-N 3.2Å; D96-L99 PolarHBondContact O-N 3.33Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 3.4Å; L99-N102 PolarHBondContact O-N 2.89Å; L99-N102 VanDerWaalsContact O-N 3.13Å; L99-A104 HydrophobicContact CD2-CB 4.23Å; L99-A104 HydrophobicContact CG-CB 4.42Å; L99-I154 HydrophobicContact CD1-CD1 4.22Å; L99-I154 HydrophobicContact CD2-CD1 4.29Å; L99-I154 HydrophobicContact CD2-CG2 4.01Å; L99-I154 HydrophobicContact CG-CG2 4.34Å
100M97.4Very high97.7Very high153 Ų15343.1 Ų43.175%0.75423%0.23SC*.Hα-helixtrans-63.3-36.9178.3-71.9-175.2-66.700112.6D96 N102D96-M100 WeakPolarHBondContact O-CB 3.39Å; D96-M100 VanDerWaalsContact O-CG 3.31Å; D96-M100 WeakPolarHBondContact O-CG 3.26Å; D96-M100 PolarHBondContact O-N 3.31Å; M100-N102 PolarHBondContact O-N 3.09Å
101S96.7Very high97.5Very high67 Ų6744.3 Ų44.347%0.46924%0.241SC..THydrogen-bonded Turntrans-80.95.1177.6-55.30000113.6Q97 L98 L99 L103Q97-S101 WeakPolarHBondContact O-CB 3.37Å; Q97-S101 PolarHBondContact O-N 3.3Å; Q97-S101 PolarHBondContact O-OG 2.98Å; L98-S101 PolarHBondContact O-N 3.42Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 3.4Å; S101-L103 PolarHBondContact O-N 3.17Å
102N96.5Very high97.4Very high99 Ų9951 Ų5153%0.52927%0.272SS..THydrogen-bonded Turntrans53.631-174.3-167.136.5000113.6L98 L99 M100 R157L98-N102 PolarHBondContact O-N 3.29Å; L99-N102 PolarHBondContact O-N 2.89Å; L99-N102 VanDerWaalsContact O-N 3.13Å; M100-N102 PolarHBondContact O-N 3.09Å; N102-R157 WeakPolarHBondContact O-CD 3.19Å; N102-R157 PolarHBondContact O-NE 3.03Å; N102-R157 VanDerWaalsContact O-NE 3.08Å; N102-R157 VanDerWaalsContact OD1-CZ 3.23Å; N102-R157 PolarHBondContact OD1-NE 3.37Å; N102-R157 PolarHBondContact OD1-NH2 2.97Å
103L97.9Very high97.3Very high62 Ų6251.4 Ų51.433%0.32527%0.274SS..SBendtrans-97.6-9.4172.5-64.4177.1000111.8L98 S101 R157 A231L98-L103 HydrophobicContact CB-CB 4.42Å; L98-L103 HydrophobicContact CD2-CB 3.86Å; L98-L103 HydrophobicContact CD2-CD1 4.03Å; L98-L103 PolarHBondContact O-N 2.88Å; S101-L103 PolarHBondContact O-N 3.17Å; L103-R157 WeakPolarHBondContact O-CB 3.19Å; L103-R157 PolarHBondContact O-N 3.35Å; L103-A231 HydrophobicContact CD1-CB 4.03Å
104A98.5Very high97.2Very high2 Ų249.2 Ų49.22%0.01726%0.258CS..EExtended strand (participates in β ladder)trans-137.4165.6169.400000110.5L98 L99 I154 R155 I187L98-A104 HydrophobicContact CB-CB 3.73Å; L98-A104 PolarHBondContact O-N 2.96Å; L99-A104 HydrophobicContact CD2-CB 4.23Å; L99-A104 HydrophobicContact CG-CB 4.42Å; A104-I154 HydrophobicContact CB-CG2 3.83Å; A104-R155 CarbonylContact C-O 3.52Å; A104-R155 WeakPolarHBondContact CA-O 3.3Å; A104-R155 VanDerWaalsContact CB-O 3.29Å; A104-R155 WeakPolarHBondContact CB-O 3.39Å; A104-I187 HydrophobicContact CB-CD1 3.96Å
105Y98.3Very high97Very high9 Ų951.6 Ų51.64%0.03527%0.269CS..EExtended strand (participates in β ladder)trans-153.8159.9177.160.6-83.5000112.4C107 Y130 C134 A135 I154 R155 R157 D184Y105-C107 HydrophobicContact CE2-CB 4.35Å; Y105-Y130 HydrophobicContact CE2-CE1 4.42Å; Y105-Y130 VanDerWaalsContact OH-CE1 3.31Å; Y105-Y130 WeakPolarHBondContact OH-CE1 3.05Å; Y105-C134 HydrophobicContact CD2-CB 4.34Å; Y105-C134 WeakPolarHBondContact CD2-O 3.21Å; Y105-C134 HydrophobicContact CE2-CB 4.13Å; Y105-A135 HydrophobicContact CE1-CB 4.1Å; Y105-A135 VanDerWaalsContact CE2-CA 3.41Å; Y105-A135 HydrophobicContact CE2-CB 4.04Å; Y105-I154 WeakPolarHBondContact O-CA 3.47Å; Y105-R155 HydrophobicContact CE1-CB 4.07Å; Y105-R155 HydrophobicContact CE2-CB 4.13Å; Y105-R155 PolarHBondContact N-O 3.32Å; Y105-R155 PolarHBondContact O-N 3.22Å; Y105-R157 HydrophobicContact CD1-CG 3.49Å; Y105-R157 VanDerWaalsContact CD1-CG 3.49Å; Y105-R157 HydrophobicContact CE1-CG 3.61Å; Y105-D184 HydrophobicContact CE1-CB 4.15Å; Y105-D184 WeakPolarHBondContact CE1-OD2 3.42Å; Y105-D184 VanDerWaalsContact CZ-OD2 3.27Å; Y105-D184 WeakPolarHBondContact OH-CB 2.77Å; Y105-D184 VanDerWaalsContact OH-CG 3.32Å; Y105-D184 PolarHBondContact OH-OD2 3.15Å
106K98Very high97Very high64 Ų6454.7 Ų54.728%0.27829%0.294SS..EExtended strand (participates in β ladder)trans-75.8129.1174.2-67.5-177.8176.6-179.70110.8Y108 E146 P152 I154K106-Y108 HydrophobicContact CB-CE2 3.8Å; K106-Y108 WeakPolarHBondContact CD-OH 3.45Å; K106-E146 IonicContact NZ-OE1 3.78Å; K106-E146 PolarHBondContact NZ-OE1 3.01Å; K106-P152 HydrophobicContact CB-CB 3.86Å; K106-P152 HydrophobicContact CB-CG 4.39Å; K106-P152 HydrophobicContact CD-CB 4.45Å; K106-P152 HydrophobicContact CD-CG 4.09Å; K106-P152 HydrophobicContact CG-CB 4.21Å; K106-P152 HydrophobicContact CG-CG 4.24Å; K106-I154 HydrophobicContact CB-CD1 4.4Å; K106-I154 HydrophobicContact CG-CD1 3.67Å
107C98.2Very high96.8Very high0 Ų053.5 Ų53.50%029%0.286CS..EExtended strand (participates in β ladder)trans-118.5123.9176.21740000110.2Y105 Y130 C134 P152 V153 R155Y105-C107 HydrophobicContact CE2-CB 4.35Å; C107-Y130 PolarHBondContact SG-OH 3.23Å; C107-C134 HydrophobicContact CB-CB 4.04Å; C107-P152 VanDerWaalsContact O-CA 3.28Å; C107-P152 WeakPolarHBondContact O-CA 3.28Å; C107-V153 HydrophobicContact CB-CG2 3.81Å; C107-V153 PolarHBondContact N-O 2.99Å; C107-V153 PolarHBondContact O-N 3.44Å; C107-R155 HydrophobicContact CB-CG 3.97Å; C107-R155 PolarHBondContact SG-NE 2.83Å
108Y97.6Very high96.6Very high6 Ų654 Ų542%0.02428%0.284CS..  trans-1047.7-177.5-58.2-89.7000113K106 T110 C134 L137 Q142 K145 E146 L150 P152K106-Y108 HydrophobicContact CB-CE2 3.8Å; K106-Y108 WeakPolarHBondContact CD-OH 3.45Å; Y108-T110 PolarHBondContact O-N 3.42Å; Y108-C134 PolarHBondContact N-SG 2.89Å; Y108-L137 HydrophobicContact CD2-CD1 3.82Å; Y108-L137 HydrophobicContact CE2-CD1 4.23Å; Y108-Q142 HydrophobicContact CE2-CB 4.07Å; Y108-Q142 HydrophobicContact CE2-CG 3.9Å; Y108-K145 HydrophobicContact CD1-CB 3.7Å; Y108-K145 HydrophobicContact CD2-CB 4.08Å; Y108-K145 HydrophobicContact CD2-CG 4.24Å; Y108-K145 HydrophobicContact CE1-CB 4.09Å; Y108-K145 HydrophobicContact CE2-CB 4.46Å; Y108-K145 HydrophobicContact CG-CB 3.68Å; Y108-K145 HydrophobicContact CG-CG 4.08Å; Y108-E146 HydrophobicContact CE1-CG 3.69Å; Y108-E146 PolarHBondContact OH-OE1 3.13Å; Y108-L150 HydrophobicContact CD1-CB 4.06Å; Y108-L150 WeakPolarHBondContact CD1-O 3.48Å; Y108-P152 HydrophobicContact CD1-CB 3.89Å; Y108-P152 HydrophobicContact CD1-CG 4.47Å; Y108-P152 HydrophobicContact CE1-CB 3.61Å; Y108-P152 HydrophobicContact CE1-CG 3.81Å; Y108-P152 HydrophobicContact CE2-CB 4.42Å; Y108-P152 HydrophobicContact CG-CB 4.43Å
109C96.5Very high96.5Very high3 Ų358.1 Ų58.12%0.0230%0.304CS..  trans-60.3130.6178.3-63.10000110.4E113 L114 Y130 R190C109-E113 WeakPolarHBondContact CA-OE2 3.13Å; C109-L114 HydrophobicContact CB-CD1 4.38Å; C109-L114 HydrophobicContact CB-CD2 3.92Å; C109-L114 HydrophobicContact CB-CG 3.92Å; C109-Y130 PolarHBondContact SG-OH 2.88Å; C109-R190 PolarHBondContact O-NH2 3.01Å
110T94.6Very high96.5Very high38 Ų3857.7 Ų57.723%0.23331%0.308CS..  trans-72.8163.3172.559.90000110.9Y108 E112 E113 L114 L150Y108-T110 PolarHBondContact O-N 3.42Å; T110-E112 WeakPolarHBondContact CB-OE2 3.31Å; T110-E112 PolarHBondContact O-N 3.31Å; T110-E113 PolarHBondContact N-OE2 2.96Å; T110-E113 PolarHBondContact O-N 2.74Å; T110-E113 WeakPolarHBondContact OG1-CB 3.44Å; T110-E113 WeakPolarHBondContact OG1-CG 3.42Å; T110-E113 PolarHBondContact OG1-N 2.85Å; T110-E113 PolarHBondContact OG1-OE2 3.45Å; T110-L114 WeakPolarHBondContact O-CG 3.34Å; T110-L114 PolarHBondContact O-N 3.14Å; T110-L114 VanDerWaalsContact O-N 3.15Å; T110-L150 HydrophobicContact CG2-CD2 4.28Å
111S93.6Very high96.4Very high69 Ų6951.2 Ų51.248%0.48328%0.276SS..Hα-helixtrans-64.2-35.4177.7-62.10000111L114 E115S111-L114 PolarHBondContact O-N 3.11Å; S111-E115 PolarHBondContact O-N 2.97Å
112E95.9Very high96.3Very high142 Ų14254.3 Ų54.366%0.66428%0.277SS*.Hα-helixtrans-66-45.3178.2-62.873.5-162.500111.3T110 L114 E115 A116T110-E112 WeakPolarHBondContact CB-OE2 3.31Å; T110-E112 PolarHBondContact O-N 3.31Å; E112-L114 VanDerWaalsContact C-N 3.35Å; E112-L114 PolarHBondContact O-N 2.97Å; E112-E115 PolarHBondContact O-N 3.34Å; E112-A116 WeakPolarHBondContact O-CB 3.22Å; E112-A116 PolarHBondContact O-N 3.39Å
113E95.4Very high96.3Very high63 Ų6353.9 Ų53.929%0.29429%0.288SS..Hα-helixtrans-61.5-42.7175-77.1173.5113.300112.1C109 T110 E115 A116 E117 K133C109-E113 WeakPolarHBondContact CA-OE2 3.13Å; T110-E113 PolarHBondContact N-OE2 2.96Å; T110-E113 PolarHBondContact O-N 2.74Å; T110-E113 WeakPolarHBondContact OG1-CB 3.44Å; T110-E113 WeakPolarHBondContact OG1-CG 3.42Å; T110-E113 PolarHBondContact OG1-N 2.85Å; T110-E113 PolarHBondContact OG1-OE2 3.45Å; E113-E115 VanDerWaalsContact C-N 3.35Å; E113-A116 PolarHBondContact O-N 2.93Å; E113-E117 WeakPolarHBondContact O-CB 3.46Å; E113-E117 PolarHBondContact O-N 3Å; E113-K133 IonicContact OE1-NZ 3.85Å; E113-K133 PolarHBondContact OE1-NZ 3.15Å
114L95.5Very high96.2Very high26 Ų2657.7 Ų57.714%0.13630%0.298CS..Hα-helixtrans-66.6-37.3178.9-69.1171.6000111.8C109 T110 S111 E112 R118 Y130C109-L114 HydrophobicContact CB-CD1 4.38Å; C109-L114 HydrophobicContact CB-CD2 3.92Å; C109-L114 HydrophobicContact CB-CG 3.92Å; T110-L114 WeakPolarHBondContact O-CG 3.34Å; T110-L114 PolarHBondContact O-N 3.14Å; T110-L114 VanDerWaalsContact O-N 3.15Å; S111-L114 PolarHBondContact O-N 3.11Å; E112-L114 VanDerWaalsContact C-N 3.35Å; E112-L114 PolarHBondContact O-N 2.97Å; L114-R118 WeakPolarHBondContact O-CG 3.38Å; L114-R118 PolarHBondContact O-N 3.28Å; L114-Y130 HydrophobicContact CD2-CD2 3.53Å; L114-Y130 HydrophobicContact CD2-CE2 3.64Å
115E96Very high96Very high75 Ų7561 Ų6135%0.3533%0.333SS..Hα-helixtrans-68.8-43.6175.5-169.360.5-165.600111.7S111 E112 E113 E117 R118 E119S111-E115 PolarHBondContact O-N 2.97Å; E112-E115 PolarHBondContact O-N 3.34Å; E113-E115 VanDerWaalsContact C-N 3.35Å; E115-E117 VanDerWaalsContact C-N 3.28Å; E115-E117 PolarHBondContact O-N 3.3Å; E115-R118 PolarHBondContact O-N 3.39Å; E115-R118 IonicContact OE2-CZ 2.74Å; E115-R118 IonicContact OE2-NE 3.89Å; E115-R118 PolarHBondContact OE2-NE 3.31Å; E115-R118 IonicContact OE2-NH2 2.81Å; E115-R118 PolarHBondContact OE2-NH2 3.17Å; E115-E119 WeakPolarHBondContact O-CG 3.44Å; E115-E119 PolarHBondContact O-N 2.89Å
116A96.8Very high95.7Very high64 Ų6465 Ų6553%0.52935%0.351SS..Hα-helixtrans-59.4-39.9175.200000112.1E112 E113 A120E112-A116 WeakPolarHBondContact O-CB 3.22Å; E112-A116 PolarHBondContact O-N 3.39Å; E113-A116 PolarHBondContact O-N 2.93Å; A116-A120 WeakPolarHBondContact O-CB 3.3Å; A116-A120 PolarHBondContact O-N 3.25Å
117E95.3Very high95.2Very high39 Ų3968 Ų6818%0.18237%0.368CS..Hα-helixtrans-63-46.3175.1-177.4179.6-174.200112.1E113 E115 A120 Q121 S131E113-E117 WeakPolarHBondContact O-CB 3.46Å; E113-E117 PolarHBondContact O-N 3Å; E115-E117 VanDerWaalsContact C-N 3.28Å; E115-E117 PolarHBondContact O-N 3.3Å; E117-A120 PolarHBondContact O-N 3.32Å; E117-Q121 WeakPolarHBondContact O-CG 3.2Å; E117-Q121 PolarHBondContact O-N 2.96Å; E117-S131 WeakPolarHBondContact OE1-CA 2.74Å; E117-S131 WeakPolarHBondContact OE1-CB 3.47Å; E117-S131 PolarHBondContact OE1-N 3.03Å; E117-S131 PolarHBondContact OE1-OG 3.34Å
118R94.9Very high94.9Very high99 Ų9970.4 Ų70.437%0.37438%0.384SS..Hα-helixtrans-61.4-45.3177.1-75.3-169.6-73.9-117.1-0112L114 E115 A120 Q121 R122 P128L114-R118 WeakPolarHBondContact O-CG 3.38Å; L114-R118 PolarHBondContact O-N 3.28Å; E115-R118 PolarHBondContact O-N 3.39Å; E115-R118 IonicContact OE2-CZ 2.74Å; E115-R118 IonicContact OE2-NE 3.89Å; E115-R118 PolarHBondContact OE2-NE 3.31Å; E115-R118 IonicContact OE2-NH2 2.81Å; E115-R118 PolarHBondContact OE2-NH2 3.17Å; R118-A120 VanDerWaalsContact C-N 3.33Å; R118-A120 PolarHBondContact O-N 3.21Å; R118-Q121 PolarHBondContact O-N 2.99Å; R118-R122 WeakPolarHBondContact O-CG 3.2Å; R118-R122 PolarHBondContact O-N 3.39Å; R118-P128 HydrophobicContact CB-CB 4.23Å; R118-P128 HydrophobicContact CG-CB 3.94Å
119E96.5Very high94.7Very high89 Ų8972.7 Ų72.742%0.41639%0.394SS..Hα-helixtrans-63.3-39.9177.8-72.5-56.5112.300111.6E115 Q121 R122 A123E115-E119 WeakPolarHBondContact O-CG 3.44Å; E115-E119 PolarHBondContact O-N 2.89Å; E119-Q121 VanDerWaalsContact C-N 3.34Å; E119-Q121 PolarHBondContact O-N 3.45Å; E119-R122 PolarHBondContact O-N 3.2Å; E119-R122 WeakPolarHBondContact OE1-CD 3.4Å; E119-R122 IonicContact OE1-CZ 3.43Å; E119-R122 IonicContact OE1-NE 3.79Å; E119-R122 IonicContact OE1-NH1 2.88Å; E119-R122 PolarHBondContact OE1-NH1 2.87Å; E119-A123 WeakPolarHBondContact O-CB 3.26Å; E119-A123 PolarHBondContact O-N 3.48Å
120A96.5Very high94.6Very high43 Ų4373.3 Ų73.336%0.35540%0.396SS..Hα-helixtrans-63.3-38.4174.900000112.7A116 E117 R118 R124A116-A120 WeakPolarHBondContact O-CB 3.3Å; A116-A120 PolarHBondContact O-N 3.25Å; E117-A120 PolarHBondContact O-N 3.32Å; R118-A120 VanDerWaalsContact C-N 3.33Å; R118-A120 PolarHBondContact O-N 3.21Å; A120-R124 PolarHBondContact O-N 3.12Å; A120-R124 PolarHBondContact O-NH1 3.14Å
121Q95.6Very high94.5Very high17 Ų1774.9 Ų74.98%0.07941%0.409CS..Hα-helixtrans-66.8-46.7174.3-74168.2-18.200111.8E117 R118 E119 A123 R124 G125 E126 H129E117-Q121 WeakPolarHBondContact O-CG 3.2Å; E117-Q121 PolarHBondContact O-N 2.96Å; R118-Q121 PolarHBondContact O-N 2.99Å; E119-Q121 VanDerWaalsContact C-N 3.34Å; E119-Q121 PolarHBondContact O-N 3.45Å; Q121-A123 VanDerWaalsContact C-N 3.3Å; Q121-A123 PolarHBondContact O-N 2.52Å; Q121-R124 CarbonylContact O-C 3.47Å; Q121-R124 WeakPolarHBondContact O-CA 3.15Å; Q121-R124 PolarHBondContact O-N 3.09Å; Q121-G125 PolarHBondContact O-N 3.03Å; Q121-E126 HydrophobicContact CB-CB 4.27Å; Q121-E126 PolarHBondContact O-N 3.24Å; Q121-H129 PolarHBondContact NE2-O 3.45Å; Q121-H129 PolarHBondContact OE1-O 2.96Å; Q121-H129 VanDerWaalsContact OE1-O 3.13Å
122R94.9Very high94.6Very high131 Ų13172.3 Ų72.349%0.49439%0.393SS..Hα-helixtrans-58.5-41.7176.1-72.1174.3177.7161.9-0.3111.9R118 E119 R124 G125 P128R118-R122 WeakPolarHBondContact O-CG 3.2Å; R118-R122 PolarHBondContact O-N 3.39Å; E119-R122 PolarHBondContact O-N 3.2Å; E119-R122 WeakPolarHBondContact OE1-CD 3.4Å; E119-R122 IonicContact OE1-CZ 3.43Å; E119-R122 IonicContact OE1-NE 3.79Å; E119-R122 IonicContact OE1-NH1 2.88Å; E119-R122 PolarHBondContact OE1-NH1 2.87Å; R122-R124 PolarHBondContact O-N 3.48Å; R122-G125 PolarHBondContact O-N 3.08Å; R122-P128 HydrophobicContact CG-CG 3.73Å
123A96.5Very high94.5Very high91 Ų9171.3 Ų71.375%0.75239%0.387SS*.Hα-helixtrans-62-24.6176.600000113.2E119 Q121E119-A123 WeakPolarHBondContact O-CB 3.26Å; E119-A123 PolarHBondContact O-N 3.48Å; Q121-A123 VanDerWaalsContact C-N 3.3Å; Q121-A123 PolarHBondContact O-N 2.52Å
124R96.2Very high94.6Very high141 Ų14168.8 Ų68.853%0.53238%0.375SS..THydrogen-bonded Turntrans-910.9172.6-64.6-170.2-56.5-84.7-1.1113.9A120 Q121 R122 E126A120-R124 PolarHBondContact O-N 3.12Å; A120-R124 PolarHBondContact O-NH1 3.14Å; Q121-R124 CarbonylContact O-C 3.47Å; Q121-R124 WeakPolarHBondContact O-CA 3.15Å; Q121-R124 PolarHBondContact O-N 3.09Å; R122-R124 PolarHBondContact O-N 3.48Å; R124-E126 VanDerWaalsContact C-N 3.26Å; R124-E126 HydrophobicContact CB-CG 4.13Å; R124-E126 IonicContact CZ-OE1 2.72Å; R124-E126 IonicContact CZ-OE2 3.07Å; R124-E126 VanDerWaalsContact NE-CD 3.33Å; R124-E126 IonicContact NE-OE1 2.87Å; R124-E126 PolarHBondContact NE-OE1 3.2Å; R124-E126 IonicContact NE-OE2 2.76Å; R124-E126 PolarHBondContact NE-OE2 2.92Å; R124-E126 IonicContact NH2-OE1 3.69Å; R124-E126 IonicContact NH2-OE2 2.7Å; R124-E126 PolarHBondContact NH2-OE2 3.12Å; R124-E126 PolarHBondContact O-N 2.83Å
125G93.7Very high94.6Very high73 Ų7368 Ų6875%0.75337%0.373SS*.THydrogen-bonded Turntrans72.417-175.500000114Q121 R122Q121-G125 PolarHBondContact O-N 3.03Å; R122-G125 PolarHBondContact O-N 3.08Å
126E91.6Very high94.6Very high91 Ų9171 Ų7143%0.42539%0.392SS..  trans-87.8147.8178.6-65.8165-163.300110.7Q121 R124Q121-E126 HydrophobicContact CB-CB 4.27Å; Q121-E126 PolarHBondContact O-N 3.24Å; R124-E126 VanDerWaalsContact C-N 3.26Å; R124-E126 HydrophobicContact CB-CG 4.13Å; R124-E126 IonicContact CZ-OE1 2.72Å; R124-E126 IonicContact CZ-OE2 3.07Å; R124-E126 VanDerWaalsContact NE-CD 3.33Å; R124-E126 IonicContact NE-OE1 2.87Å; R124-E126 PolarHBondContact NE-OE1 3.2Å; R124-E126 IonicContact NE-OE2 2.76Å; R124-E126 PolarHBondContact NE-OE2 2.92Å; R124-E126 IonicContact NH2-OE1 3.69Å; R124-E126 IonicContact NH2-OE2 2.7Å; R124-E126 PolarHBondContact NH2-OE2 3.12Å; R124-E126 PolarHBondContact O-N 2.83Å
127M88.1Confident94.5Very high128 Ų12869.6 Ų69.663%0.63138%0.375SS*.  trans-66.9130.2169.2-75.5-152.5-59.800110H129M127-H129 PolarHBondContact O-N 2.64Å; M127-H129 VanDerWaalsContact O-N 3.15Å
128P91.4Very high94.5Very high51 Ų5170.5 Ų70.533%0.33138%0.383SS..  trans-70114.5-173.2-21.633.6000112.9R118 R122R118-P128 HydrophobicContact CB-CB 4.23Å; R118-P128 HydrophobicContact CG-CB 3.94Å; R122-P128 HydrophobicContact CG-CG 3.73Å
129H92.6Very high94.5Very high53 Ų5370.4 Ų70.425%0.24540%0.395CS..  trans-123.4146.9179.2-69-179.8000110.1Q121 M127 S131 D179 G182Q121-H129 PolarHBondContact NE2-O 3.45Å; Q121-H129 PolarHBondContact OE1-O 2.96Å; Q121-H129 VanDerWaalsContact OE1-O 3.13Å; M127-H129 PolarHBondContact O-N 2.64Å; M127-H129 VanDerWaalsContact O-N 3.15Å; H129-S131 PolarHBondContact O-N 3.47Å; H129-D179 PolarHBondContact CE1-O 3.24Å; H129-G182 WeakPolarHBondContact CA-O 3.12Å; H129-G182 VanDerWaalsContact CD2-CA 3.45Å; H129-G182 WeakPolarHBondContact CD2-CA 3.5Å
130Y95.3Very high94.6Very high17 Ų1772.6 Ų72.67%0.06741%0.405CS..  trans-67.8124.7168.7180-119.7000110.1Y105 C107 C109 L114 G132 K133 C134 G182 D184Y105-Y130 HydrophobicContact CE2-CE1 4.42Å; Y105-Y130 VanDerWaalsContact OH-CE1 3.31Å; Y105-Y130 WeakPolarHBondContact OH-CE1 3.05Å; C107-Y130 PolarHBondContact SG-OH 3.23Å; C109-Y130 PolarHBondContact SG-OH 2.88Å; L114-Y130 HydrophobicContact CD2-CD2 3.53Å; L114-Y130 HydrophobicContact CD2-CE2 3.64Å; Y130-G132 VanDerWaalsContact CE1-CA 3.47Å; Y130-G132 PolarHBondContact O-N 2.86Å; Y130-K133 HydrophobicContact CE2-CB 4.45Å; Y130-C134 PolarHBondContact OH-N 3.43Å; Y130-C134 VanDerWaalsContact OH-N 3.09Å; Y130-G182 PolarHBondContact N-O 3.21Å; Y130-D184 HydrophobicContact CD1-CB 4.11Å
131S93.1Very high94.6Very high71 Ų7174.6 Ų74.650%0.49741%0.408SS..  trans-64.3-17.7-177.350.90000115.1E117 H129 K133E117-S131 WeakPolarHBondContact OE1-CA 2.74Å; E117-S131 WeakPolarHBondContact OE1-CB 3.47Å; E117-S131 PolarHBondContact OE1-N 3.03Å; E117-S131 PolarHBondContact OE1-OG 3.34Å; H129-S131 PolarHBondContact O-N 3.47Å; S131-K133 PolarHBondContact OG-N 3.32Å
132G94.6Very high94.6Very high14 Ų1476 Ų7614%0.14441%0.414CS..  trans77.226.4-166.200000112.6Y130 C134 A135Y130-G132 VanDerWaalsContact CE1-CA 3.47Å; Y130-G132 PolarHBondContact O-N 2.86Å; G132-C134 PolarHBondContact O-N 3.27Å; G132-A135 WeakPolarHBondContact O-CB 3.36Å; G132-A135 PolarHBondContact O-N 3.38Å
133K94.7Very high94.7Very high122 Ų12272.1 Ų72.153%0.5341%0.41SS..THydrogen-bonded Turntrans-45.1-37.5178.7-175.8178.8179.7-175.80114E113 Y130 S131E113-K133 IonicContact OE1-NZ 3.85Å; E113-K133 PolarHBondContact OE1-NZ 3.15Å; Y130-K133 HydrophobicContact CE2-CB 4.45Å; S131-K133 PolarHBondContact OG-N 3.32Å
134C96.7Very high94.7Very high9 Ų973.4 Ų73.46%0.06140%0.4CS..THydrogen-bonded Turntrans-97.22.4179.8-63.10000114.5Y105 C107 Y108 Y130 G132 N136 L137Y105-C134 HydrophobicContact CD2-CB 4.34Å; Y105-C134 WeakPolarHBondContact CD2-O 3.21Å; Y105-C134 HydrophobicContact CE2-CB 4.13Å; C107-C134 HydrophobicContact CB-CB 4.04Å; Y108-C134 PolarHBondContact N-SG 2.89Å; Y130-C134 PolarHBondContact OH-N 3.43Å; Y130-C134 VanDerWaalsContact OH-N 3.09Å; G132-C134 PolarHBondContact O-N 3.27Å; C134-N136 VanDerWaalsContact C-N 3.25Å; C134-N136 PolarHBondContact O-N 3.4Å; C134-L137 HydrophobicContact CB-CD1 3.74Å; C134-L137 HydrophobicContact CB-CG 4.23Å; C134-L137 PolarHBondContact O-N 2.93Å
135A95.7Very high94.7Very high10 Ų1070 Ų708%0.08339%0.39CS..THydrogen-bonded Turntrans-61.5-32.1-170.500000113Y105 G132 R157Y105-A135 HydrophobicContact CE1-CB 4.1Å; Y105-A135 VanDerWaalsContact CE2-CA 3.41Å; Y105-A135 HydrophobicContact CE2-CB 4.04Å; G132-A135 WeakPolarHBondContact O-CB 3.36Å; G132-A135 PolarHBondContact O-N 3.38Å; A135-R157 PolarHBondContact O-NH1 3.49Å; A135-R157 PolarHBondContact O-NH2 3.47Å
136N95.3Very high94.8Very high139 Ų13970.6 Ų70.674%0.74337%0.373SS*.THydrogen-bonded Turntrans-121.625.1-173.2-58.3-45.1000112.7C134 T138C134-N136 VanDerWaalsContact C-N 3.25Å; C134-N136 PolarHBondContact O-N 3.4Å; N136-T138 PolarHBondContact O-N 2.93Å
137L96Very high95Very high33 Ų3370.6 Ų70.617%0.17339%0.388CS..  trans-62.2132.3178-67.8176.4000111Y108 C134 E141 Q142Y108-L137 HydrophobicContact CD2-CD1 3.82Å; Y108-L137 HydrophobicContact CE2-CD1 4.23Å; C134-L137 HydrophobicContact CB-CD1 3.74Å; C134-L137 HydrophobicContact CB-CG 4.23Å; C134-L137 PolarHBondContact O-N 2.93Å; L137-E141 VanDerWaalsContact CA-OE2 3.24Å; L137-E141 WeakPolarHBondContact CA-OE2 3.38Å; L137-E141 HydrophobicContact CB-CB 4.31Å; L137-E141 HydrophobicContact CD2-CB 4.06Å; L137-E141 WeakPolarHBondContact CD2-OE2 3.31Å; L137-Q142 HydrophobicContact CB-CG 3.79Å; L137-Q142 HydrophobicContact CD1-CG 4.43Å; L137-Q142 PolarHBondContact O-NE2 3.01Å
138T95.6Very high95.4Very high58 Ų5869.7 Ų69.736%0.35638%0.382SS..  trans-70.7159.5174.682.70000111N136 E140 E141 Q142N136-T138 PolarHBondContact O-N 2.93Å; T138-E140 VanDerWaalsContact CB-OE2 3.24Å; T138-E140 WeakPolarHBondContact CB-OE2 3.12Å; T138-E140 PolarHBondContact O-N 2.71Å; T138-E140 PolarHBondContact OG1-N 3.31Å; T138-E140 PolarHBondContact OG1-OE2 3.42Å; T138-E141 PolarHBondContact N-OE2 3.42Å; T138-E141 PolarHBondContact O-N 3.41Å; T138-E141 VanDerWaalsContact O-N 3.15Å; T138-E141 PolarHBondContact OG1-N 3.12Å; T138-Q142 WeakPolarHBondContact O-CG 3.25Å; T138-Q142 PolarHBondContact O-N 2.96Å
139P94.5Very high95.5Very high97 Ų9770.2 Ų70.263%0.6340%0.397SS*.Hα-helixtrans-52.5-35.5174.6-27.736.7000113.5A143P139-A143 WeakPolarHBondContact O-CB 3.29Å; P139-A143 PolarHBondContact O-N 3.36Å
140E97.1Very high95.6Very high135 Ų13570 Ų7063%0.63140%0.397SS*.Hα-helixtrans-68.1-45.6177.6-58.374.6-161.200112T138 Q142 A143 E144T138-E140 VanDerWaalsContact CB-OE2 3.24Å; T138-E140 WeakPolarHBondContact CB-OE2 3.12Å; T138-E140 PolarHBondContact O-N 2.71Å; T138-E140 PolarHBondContact OG1-N 3.31Å; T138-E140 PolarHBondContact OG1-OE2 3.42Å; E140-Q142 VanDerWaalsContact C-N 3.3Å; E140-Q142 PolarHBondContact O-N 2.94Å; E140-A143 PolarHBondContact O-N 3.03Å; E140-E144 PolarHBondContact O-N 2.99Å
141E97.2Very high95.6Very high86 Ų8675.1 Ų75.140%0.40242%0.422SS..Hα-helixtrans-64.4-36.8176.7-65.6175.5135.200111.6L137 T138 E144 K145L137-E141 VanDerWaalsContact CA-OE2 3.24Å; L137-E141 WeakPolarHBondContact CA-OE2 3.38Å; L137-E141 HydrophobicContact CB-CB 4.31Å; L137-E141 HydrophobicContact CD2-CB 4.06Å; L137-E141 WeakPolarHBondContact CD2-OE2 3.31Å; T138-E141 PolarHBondContact N-OE2 3.42Å; T138-E141 PolarHBondContact O-N 3.41Å; T138-E141 VanDerWaalsContact O-N 3.15Å; T138-E141 PolarHBondContact OG1-N 3.12Å; E141-E144 PolarHBondContact O-N 3.27Å; E141-K145 VanDerWaalsContact O-CG 3.3Å; E141-K145 WeakPolarHBondContact O-CG 3.35Å; E141-K145 PolarHBondContact O-N 3.28Å; E141-K145 VanDerWaalsContact O-N 3.14Å
142Q96.3Very high95.8Very high45 Ų4573.3 Ų73.321%0.2141%0.409CS..Hα-helixtrans-64.3-46.6174-65.3-175.931.100111.1Y108 L137 T138 E140 E144 K145 E146Y108-Q142 HydrophobicContact CE2-CB 4.07Å; Y108-Q142 HydrophobicContact CE2-CG 3.9Å; L137-Q142 HydrophobicContact CB-CG 3.79Å; L137-Q142 HydrophobicContact CD1-CG 4.43Å; L137-Q142 PolarHBondContact O-NE2 3.01Å; T138-Q142 WeakPolarHBondContact O-CG 3.25Å; T138-Q142 PolarHBondContact O-N 2.96Å; E140-Q142 VanDerWaalsContact C-N 3.3Å; E140-Q142 PolarHBondContact O-N 2.94Å; Q142-E144 VanDerWaalsContact C-N 3.29Å; Q142-E144 PolarHBondContact O-N 3.22Å; Q142-K145 PolarHBondContact O-N 2.64Å; Q142-K145 VanDerWaalsContact O-N 3.16Å; Q142-E146 WeakPolarHBondContact O-CG 3.34Å; Q142-E146 PolarHBondContact O-N 3.14Å
143A96.2Very high95.9Very high50 Ų5073.2 Ų73.241%0.41341%0.405SS..Hα-helixtrans-61.9-36.2177.600000112.3P139 E140 E146 A147P139-A143 WeakPolarHBondContact O-CB 3.29Å; P139-A143 PolarHBondContact O-N 3.36Å; E140-A143 PolarHBondContact O-N 3.03Å; A143-E146 PolarHBondContact O-N 3.18Å; A143-A147 WeakPolarHBondContact O-CB 3.21Å; A143-A147 PolarHBondContact O-N 3.1Å
144E97.3Very high96.1Very high118 Ų11867.8 Ų67.855%0.55138%0.382SS*.Hα-helixtrans-63.7-43.4174.3-168.8-171.5165.100111.7E140 E141 Q142 A147 Q148E140-E144 PolarHBondContact O-N 2.99Å; E141-E144 PolarHBondContact O-N 3.27Å; Q142-E144 VanDerWaalsContact C-N 3.29Å; Q142-E144 PolarHBondContact O-N 3.22Å; E144-A147 PolarHBondContact O-N 2.99Å; E144-Q148 WeakPolarHBondContact O-CG 2.98Å; E144-Q148 PolarHBondContact O-N 3.23Å; E144-Q148 VanDerWaalsContact O-N 3.16Å
145K96.2Very high96.2Very high70 Ų7068.2 Ų68.230%0.30438%0.382SS..Hα-helixtrans-64.2-42.7175.8-65.8-70.9173.9-170.50111.7Y108 E141 Q142 A147 Q148 L150Y108-K145 HydrophobicContact CD1-CB 3.7Å; Y108-K145 HydrophobicContact CD2-CB 4.08Å; Y108-K145 HydrophobicContact CD2-CG 4.24Å; Y108-K145 HydrophobicContact CE1-CB 4.09Å; Y108-K145 HydrophobicContact CE2-CB 4.46Å; Y108-K145 HydrophobicContact CG-CB 3.68Å; Y108-K145 HydrophobicContact CG-CG 4.08Å; E141-K145 VanDerWaalsContact O-CG 3.3Å; E141-K145 WeakPolarHBondContact O-CG 3.35Å; E141-K145 PolarHBondContact O-N 3.28Å; E141-K145 VanDerWaalsContact O-N 3.14Å; Q142-K145 PolarHBondContact O-N 2.64Å; Q142-K145 VanDerWaalsContact O-N 3.16Å; K145-A147 VanDerWaalsContact C-N 3.33Å; K145-A147 PolarHBondContact O-N 3Å; K145-Q148 WeakPolarHBondContact O-CB 3.37Å; K145-Q148 PolarHBondContact O-N 2.85Å; K145-L150 HydrophobicContact CB-CD1 4.29Å; K145-L150 HydrophobicContact CD-CD1 3.69Å; K145-L150 WeakPolarHBondContact O-CB 3.21Å; K145-L150 PolarHBondContact O-N 2.76Å
146E95.2Very high96.3Very high85 Ų8567.9 Ų67.940%0.39738%0.379SS..Hα-helixtrans-63.3-39.3175.9-70.1175.2169.500111.2K106 Y108 Q142 A143 Q148 G149K106-E146 IonicContact NZ-OE1 3.78Å; K106-E146 PolarHBondContact NZ-OE1 3.01Å; Y108-E146 HydrophobicContact CE1-CG 3.69Å; Y108-E146 PolarHBondContact OH-OE1 3.13Å; Q142-E146 WeakPolarHBondContact O-CG 3.34Å; Q142-E146 PolarHBondContact O-N 3.14Å; A143-E146 PolarHBondContact O-N 3.18Å; E146-Q148 PolarHBondContact O-N 2.73Å; E146-G149 WeakPolarHBondContact O-CA 3.36Å; E146-G149 PolarHBondContact O-N 2.99Å
147A96.1Very high96.4Very high91 Ų9163.6 Ų63.675%0.75235%0.353SS*.Hα-helixtrans-65.7-24175.500000113.5A143 E144 K145 G149A143-A147 WeakPolarHBondContact O-CB 3.21Å; A143-A147 PolarHBondContact O-N 3.1Å; E144-A147 PolarHBondContact O-N 2.99Å; K145-A147 VanDerWaalsContact C-N 3.33Å; K145-A147 PolarHBondContact O-N 3Å; A147-G149 PolarHBondContact O-N 3.39Å
148Q95.5Very high96.5Very high109 Ų10962.4 Ų62.451%0.50935%0.346SS..THydrogen-bonded Turntrans-78.70.1171.2-66.3167.418.200112.7E144 K145 E146 L150E144-Q148 WeakPolarHBondContact O-CG 2.98Å; E144-Q148 PolarHBondContact O-N 3.23Å; E144-Q148 VanDerWaalsContact O-N 3.16Å; K145-Q148 WeakPolarHBondContact O-CB 3.37Å; K145-Q148 PolarHBondContact O-N 2.85Å; E146-Q148 PolarHBondContact O-N 2.73Å; Q148-L150 VanDerWaalsContact C-N 3.35Å; Q148-L150 HydrophobicContact CB-CG 4.4Å
149G94.2Very high96.5Very high62 Ų6262 Ų6264%0.63935%0.345SS*.THydrogen-bonded Turntrans78.716-177.700000113.8E146 A147 E151E146-G149 WeakPolarHBondContact O-CA 3.36Å; E146-G149 PolarHBondContact O-N 2.99Å; A147-G149 PolarHBondContact O-N 3.39Å; G149-E151 PolarHBondContact O-N 3.11Å
150L94.1Very high96.4Very high48 Ų4863.8 Ų63.825%0.25134%0.339SS..  trans-80.3115.6177.2-63.2173.8000110.4Y108 T110 K145 Q148Y108-L150 HydrophobicContact CD1-CB 4.06Å; Y108-L150 WeakPolarHBondContact CD1-O 3.48Å; T110-L150 HydrophobicContact CG2-CD2 4.28Å; K145-L150 HydrophobicContact CB-CD1 4.29Å; K145-L150 HydrophobicContact CD-CD1 3.69Å; K145-L150 WeakPolarHBondContact O-CB 3.21Å; K145-L150 PolarHBondContact O-N 2.76Å; Q148-L150 VanDerWaalsContact C-N 3.35Å; Q148-L150 HydrophobicContact CB-CG 4.4Å
151E95.1Very high96.3Very high125 Ų12564.2 Ų64.258%0.58435%0.346SS*.PPolyproline II helixtrans-82126.5171.1-67.2-178.7169.600110.8G149 R190G149-E151 PolarHBondContact O-N 3.11Å; E151-R190 HydrophobicContact CB-CB 4.4Å; E151-R190 HydrophobicContact CB-CG 4.48Å; E151-R190 WeakPolarHBondContact O-CD 3.45Å; E151-R190 PolarHBondContact O-NE 3.32Å
152P97.3Very high96.3Very high33 Ų3362.5 Ų62.521%0.21434%0.341CS..PPolyproline II helixtrans-76.7154.1-178.430.1-32.6000112.1K106 C107 Y108K106-P152 HydrophobicContact CB-CB 3.86Å; K106-P152 HydrophobicContact CB-CG 4.39Å; K106-P152 HydrophobicContact CD-CB 4.45Å; K106-P152 HydrophobicContact CD-CG 4.09Å; K106-P152 HydrophobicContact CG-CB 4.21Å; K106-P152 HydrophobicContact CG-CG 4.24Å; C107-P152 VanDerWaalsContact O-CA 3.28Å; C107-P152 WeakPolarHBondContact O-CA 3.28Å; Y108-P152 HydrophobicContact CD1-CB 3.89Å; Y108-P152 HydrophobicContact CD1-CG 4.47Å; Y108-P152 HydrophobicContact CE1-CB 3.61Å; Y108-P152 HydrophobicContact CE1-CG 3.81Å; Y108-P152 HydrophobicContact CE2-CB 4.42Å; Y108-P152 HydrophobicContact CG-CB 4.43Å
153V97.9Very high96.3Very high13 Ų1363 Ų638%0.07935%0.35CS..EExtended strand (participates in β ladder)trans-93.8158152-61.20000108.8C107 R155 I186 Q188 R190C107-V153 HydrophobicContact CB-CG2 3.81Å; C107-V153 PolarHBondContact N-O 2.99Å; C107-V153 PolarHBondContact O-N 3.44Å; V153-R155 HydrophobicContact CG2-CG 4.39Å; V153-I186 HydrophobicContact CB-CD1 4.36Å; V153-I186 HydrophobicContact CB-CG1 4.42Å; V153-I186 HydrophobicContact CB-CG2 4.04Å; V153-I186 HydrophobicContact CG1-CD1 4.37Å; V153-I186 HydrophobicContact CG2-CD1 3.99Å; V153-I186 HydrophobicContact CG2-CG1 3.98Å; V153-I186 HydrophobicContact CG2-CG2 4.48Å; V153-Q188 WeakPolarHBondContact CA-O 3.3Å; V153-Q188 WeakPolarHBondContact CB-O 3.43Å; V153-R190 HydrophobicContact CG1-CG 3.6Å
154I98.4Very high96.2Very high8 Ų860.9 Ų60.94%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-98.8126.4170.5-50.7-54.9000109.2I95 L99 A104 Y105 K106 I186 I187 Q188I95-I154 HydrophobicContact CG2-CB 4.39Å; I95-I154 HydrophobicContact CG2-CG1 4.13Å; I95-I154 HydrophobicContact CG2-CG2 4.08Å; L99-I154 HydrophobicContact CD1-CD1 4.22Å; L99-I154 HydrophobicContact CD2-CD1 4.29Å; L99-I154 HydrophobicContact CD2-CG2 4.01Å; L99-I154 HydrophobicContact CG-CG2 4.34Å; A104-I154 HydrophobicContact CB-CG2 3.83Å; Y105-I154 WeakPolarHBondContact O-CA 3.47Å; K106-I154 HydrophobicContact CB-CD1 4.4Å; K106-I154 HydrophobicContact CG-CD1 3.67Å; I154-I186 CarbonylContact O-C 3.56Å; I154-I186 WeakPolarHBondContact O-CA 3.32Å; I154-I187 HydrophobicContact CB-CG1 4.14Å; I154-I187 HydrophobicContact CG2-CD1 3.97Å; I154-I187 HydrophobicContact CG2-CG1 3.86Å; I154-I187 WeakPolarHBondContact O-CG1 3.49Å; I154-I187 PolarHBondContact O-N 2.77Å; I154-Q188 HydrophobicContact CB-CB 3.75Å; I154-Q188 HydrophobicContact CG1-CB 3.81Å; I154-Q188 PolarHBondContact N-O 3.45Å; I154-Q188 PolarHBondContact O-N 2.74Å
155R98.6Very high96.2Very high17 Ų1757.8 Ų57.86%0.06432%0.321CS..EExtended strand (participates in β ladder)trans-107140.1174.7-70.1-176.5-179.8-91.11.3111A104 Y105 C107 V153 D184 F185 I186A104-R155 CarbonylContact C-O 3.52Å; A104-R155 WeakPolarHBondContact CA-O 3.3Å; A104-R155 VanDerWaalsContact CB-O 3.29Å; A104-R155 WeakPolarHBondContact CB-O 3.39Å; Y105-R155 HydrophobicContact CE1-CB 4.07Å; Y105-R155 HydrophobicContact CE2-CB 4.13Å; Y105-R155 PolarHBondContact N-O 3.32Å; Y105-R155 PolarHBondContact O-N 3.22Å; C107-R155 HydrophobicContact CB-CG 3.97Å; C107-R155 PolarHBondContact SG-NE 2.83Å; V153-R155 HydrophobicContact CG2-CG 4.39Å; R155-D184 HydrophobicContact CB-CB 4.32Å; R155-D184 PolarHBondContact NH1-O 3.17Å; R155-F185 CarbonylContact C-O 3.56Å; R155-F185 VanDerWaalsContact CA-O 3.26Å; R155-F185 WeakPolarHBondContact CA-O 3.32Å; R155-I186 HydrophobicContact CG-CG1 4.07Å
156F98.6Very high96.2Very high3 Ų355.3 Ų55.31%0.01331%0.31CS..EExtended strand (participates in β ladder)trans-80.9133.8169.1-178.8-93.7000110L98 V158 D184 F185 I187 M227 I228 A231L98-F156 HydrophobicContact CD1-CD2 4.31Å; F156-V158 HydrophobicContact CD1-CG2 4.43Å; F156-V158 PolarHBondContact O-N 2.73Å; F156-D184 VanDerWaalsContact O-CA 3.26Å; F156-D184 WeakPolarHBondContact O-CA 3.24Å; F156-D184 WeakPolarHBondContact O-CB 3.48Å; F156-F185 HydrophobicContact CB-CD2 4.28Å; F156-F185 HydrophobicContact CB-CE1 4.35Å; F156-F185 HydrophobicContact CB-CE2 3.89Å; F156-F185 HydrophobicContact CB-CZ 3.93Å; F156-F185 HydrophobicContact CD1-CD1 4.48Å; F156-F185 AromaticContact CD1-CE1 3.6Å; F156-F185 HydrophobicContact CD1-CE1 3.6Å; F156-F185 HydrophobicContact CD1-CE2 4.34Å; F156-F185 AromaticContact CD1-CZ 3.51Å; F156-F185 HydrophobicContact CD1-CZ 3.51Å; F156-F185 HydrophobicContact CE1-CE1 4.34Å; F156-F185 HydrophobicContact CE1-CZ 4.25Å; F156-F185 HydrophobicContact CG-CE1 4.3Å; F156-F185 HydrophobicContact CG-CE2 4.26Å; F156-F185 AromaticContact CG-CZ 3.85Å; F156-F185 HydrophobicContact CG-CZ 3.85Å; F156-F185 PolarHBondContact N-O 2.7Å; F156-I187 HydrophobicContact CB-CD1 4.43Å; F156-I187 HydrophobicContact CB-CG2 3.6Å; F156-M227 HydrophobicContact CE1-CB 3.67Å; F156-M227 HydrophobicContact CE1-CG 4.37Å; F156-M227 HydrophobicContact CE1-SD 4.4Å; F156-M227 HydrophobicContact CZ-CB 3.94Å; F156-I228 HydrophobicContact CD1-CD1 4.47Å; F156-I228 HydrophobicContact CD2-CD1 3.49Å; F156-I228 VanDerWaalsContact CD2-CD1 3.49Å; F156-I228 HydrophobicContact CE2-CD1 3.64Å; F156-I228 HydrophobicContact CG-CD1 3.94Å; F156-I228 HydrophobicContact CZ-CD1 4.21Å; F156-A231 HydrophobicContact CE2-CB 3.72Å; F156-A231 HydrophobicContact CZ-CB 3.95Å
157R97.9Very high96.3Very high50 Ų5057 Ų5719%0.18932%0.318CS..  trans-77.2110.6175.2-66.8-170.5-166.9-85.72.6109.6N102 L103 Y105 A135 P159N102-R157 WeakPolarHBondContact O-CD 3.19Å; N102-R157 PolarHBondContact O-NE 3.03Å; N102-R157 VanDerWaalsContact O-NE 3.08Å; N102-R157 VanDerWaalsContact OD1-CZ 3.23Å; N102-R157 PolarHBondContact OD1-NE 3.37Å; N102-R157 PolarHBondContact OD1-NH2 2.97Å; L103-R157 WeakPolarHBondContact O-CB 3.19Å; L103-R157 PolarHBondContact O-N 3.35Å; Y105-R157 HydrophobicContact CD1-CG 3.49Å; Y105-R157 VanDerWaalsContact CD1-CG 3.49Å; Y105-R157 HydrophobicContact CE1-CG 3.61Å; A135-R157 PolarHBondContact O-NH1 3.49Å; A135-R157 PolarHBondContact O-NH2 3.47Å; R157-P159 WeakPolarHBondContact O-CD 3.34Å
158V97.2Very high96.3Very high7 Ų752.8 Ų52.84%0.04228%0.282CS..PPolyproline II helixtrans-71.3124.9176.3170.70000109F156 S178 V181 G183 D184 F185 M227F156-V158 HydrophobicContact CD1-CG2 4.43Å; F156-V158 PolarHBondContact O-N 2.73Å; V158-S178 WeakPolarHBondContact CG1-O 3.32Å; V158-V181 HydrophobicContact CB-CG2 4.37Å; V158-V181 HydrophobicContact CG1-CG2 3.7Å; V158-V181 HydrophobicContact CG2-CG2 3.74Å; V158-G183 WeakPolarHBondContact CG2-O 3.07Å; V158-D184 PolarHBondContact N-OD1 3.3Å; V158-F185 HydrophobicContact CG2-CD1 3.69Å; V158-F185 HydrophobicContact CG2-CE1 3.77Å; V158-M227 HydrophobicContact CG1-CE 3.99Å; V158-M227 HydrophobicContact CG1-SD 4.26Å; V158-M227 HydrophobicContact CG2-SD 4.18Å
159P95.3Very high96.3Very high51 Ų5149.8 Ų49.833%0.33127%0.269SS..PPolyproline II helixtrans-56.9141.7172.8-24.734.9000110.9R157 T162 F164 S178R157-P159 WeakPolarHBondContact O-CD 3.34Å; P159-T162 WeakPolarHBondContact CB-OG1 3.33Å; P159-F164 HydrophobicContact CG-CZ 4.37Å; P159-S178 WeakPolarHBondContact O-CB 3.24Å; P159-S178 PolarHBondContact O-OG 3.46Å
160R93.7Very high96.4Very high133 Ų13347 Ų4750%0.50224%0.24SC..SBendtrans-90.3148.6179.4-61.8-59.8-176.2170.5-1.6111.2T162 D179R160-T162 PolarHBondContact O-N 3.02Å; R160-T162 VanDerWaalsContact O-N 3.15Å; R160-T162 PolarHBondContact O-OG1 3.47Å; R160-D179 VanDerWaalsContact CD-OD1 3.22Å; R160-D179 WeakPolarHBondContact CD-OD1 3.39Å; R160-D179 IonicContact CZ-OD1 3.83Å; R160-D179 IonicContact NH1-OD1 3.31Å; R160-D179 PolarHBondContact NH1-OD1 3.03Å
161N94.4Very high96.4Very high144 Ų14447.5 Ų47.577%0.7724%0.24SC*.SBendtrans48.441.8176.8-53.8-58.8000113.2D179N161-D179 PolarHBondContact N-OD2 3.28Å; N161-D179 PolarHBondContact OD1-OD2 3.46Å
162T96Very high96.4Very high51 Ų5142.3 Ų42.331%0.31322%0.22SC..  trans-119.8128.1-176.9-56.20000109.7P159 R160 F164 S178P159-T162 WeakPolarHBondContact CB-OG1 3.33Å; R160-T162 PolarHBondContact O-N 3.02Å; R160-T162 VanDerWaalsContact O-N 3.15Å; R160-T162 PolarHBondContact O-OG1 3.47Å; T162-F164 HydrophobicContact CG2-CD2 4.23Å; T162-F164 HydrophobicContact CG2-CE2 3.57Å; T162-F164 HydrophobicContact CG2-CZ 3.89Å; T162-S178 PolarHBondContact N-OG 2.8Å; T162-S178 VanDerWaalsContact N-OG 3.14Å; T162-S178 WeakPolarHBondContact O-CB 3.45Å; T162-S178 PolarHBondContact O-N 2.8Å; T162-S178 PolarHBondContact O-OG 3.47Å
163S96.3Very high96.4Very high55 Ų5547.8 Ų47.839%0.38524%0.242SC..EExtended strand (participates in β ladder)trans-93.1133.2176.2-163.20000110.8S175 E177S163-S175 PolarHBondContact OG-OG 3.32Å; S163-E177 WeakPolarHBondContact CB-OE1 3.45Å; S163-E177 PolarHBondContact OG-OE1 3.43Å
164F96.1Very high96.3Very high5 Ų548.4 Ų48.42%0.02225%0.245CC..EExtended strand (participates in β ladder)trans-112.496177.7-72.3-93.2000109.1P159 T162 F176 P223 L226 M227 D230P159-F164 HydrophobicContact CG-CZ 4.37Å; T162-F164 HydrophobicContact CG2-CD2 4.23Å; T162-F164 HydrophobicContact CG2-CE2 3.57Å; T162-F164 HydrophobicContact CG2-CZ 3.89Å; F164-F176 PolarHBondContact N-O 3.38Å; F164-F176 PolarHBondContact O-N 3.24Å; F164-P223 HydrophobicContact CB-CB 4.48Å; F164-L226 HydrophobicContact CB-CD1 4.39Å; F164-L226 HydrophobicContact CD1-CB 3.84Å; F164-L226 HydrophobicContact CE1-CB 4.45Å; F164-M227 HydrophobicContact CD1-CG 4.22Å; F164-M227 HydrophobicContact CD2-CE 3.73Å; F164-M227 HydrophobicContact CD2-CG 4.41Å; F164-M227 HydrophobicContact CE1-CB 4.26Å; F164-M227 HydrophobicContact CE1-CG 3.52Å; F164-M227 HydrophobicContact CE2-CE 3.45Å; F164-M227 VanDerWaalsContact CE2-CE 3.45Å; F164-M227 HydrophobicContact CE2-CG 3.76Å; F164-M227 HydrophobicContact CE2-SD 4.47Å; F164-M227 HydrophobicContact CZ-CB 4.29Å; F164-M227 HydrophobicContact CZ-CE 4.02Å; F164-M227 HydrophobicContact CZ-CG 3.28Å; F164-M227 HydrophobicContact CZ-SD 4.5Å; F164-D230 VanDerWaalsContact CE1-OD2 3.25Å; F164-D230 WeakPolarHBondContact CE1-OD2 3.3Å
165T96.1Very high96.2Very high54 Ų5450.8 Ų50.833%0.33126%0.262SS..EExtended strand (participates in β ladder)trans-101.3140.3176.4-54.30000111.2E173 I174 S175 R236T165-E173 HydrophobicContact CG2-CG 3.55Å; T165-I174 VanDerWaalsContact CA-O 3.32Å; T165-I174 WeakPolarHBondContact CA-O 3.35Å; T165-S175 WeakPolarHBondContact OG1-CB 3.25Å; T165-S175 PolarHBondContact OG1-OG 3.44Å; T165-R236 PolarHBondContact O-NH1 3.27Å
166F96.1Very high96.1Very high17 Ų1752.9 Ų52.98%0.07527%0.272CS..EExtended strand (participates in β ladder)trans-146.2151.5171.666.4-80.4000110.8D168 I174 F176 T222 L226 F239F166-D168 HydrophobicContact CD2-CB 4.39Å; F166-D168 HydrophobicContact CE2-CB 3.98Å; F166-I174 HydrophobicContact CD1-CB 4.49Å; F166-I174 HydrophobicContact CE1-CB 3.92Å; F166-I174 HydrophobicContact CE1-CG2 4.21Å; F166-I174 HydrophobicContact CE2-CB 4.4Å; F166-I174 HydrophobicContact CE2-CD1 4.13Å; F166-I174 HydrophobicContact CZ-CB 3.87Å; F166-I174 HydrophobicContact CZ-CD1 3.86Å; F166-I174 HydrophobicContact CZ-CG1 4.33Å; F166-I174 HydrophobicContact CZ-CG2 4.3Å; F166-I174 PolarHBondContact N-O 3.41Å; F166-I174 PolarHBondContact O-N 2.86Å; F166-F176 HydrophobicContact CE1-CD2 4.2Å; F166-F176 HydrophobicContact CE1-CE2 4.03Å; F166-T222 HydrophobicContact CD1-CG2 4.08Å; F166-T222 HydrophobicContact CD2-CG2 4.31Å; F166-T222 HydrophobicContact CE1-CG2 3.71Å; F166-T222 HydrophobicContact CE2-CG2 3.96Å; F166-T222 HydrophobicContact CG-CG2 4.37Å; F166-T222 HydrophobicContact CZ-CG2 3.64Å; F166-L226 HydrophobicContact CB-CD1 4.14Å; F166-L226 HydrophobicContact CD1-CD1 3.81Å; F166-L226 HydrophobicContact CG-CD1 4.25Å; F166-F239 HydrophobicContact CD2-CB 4.05Å; F166-F239 HydrophobicContact CD2-CD2 4.35Å; F166-F239 HydrophobicContact CD2-CG 4.44Å; F166-F239 HydrophobicContact CE2-CB 4.04Å
167E96.7Very high95.9Very high122 Ų12256.8 Ų56.857%0.5729%0.29SS*.EExtended strand (participates in β ladder)trans-87.3115.7171.8-16963.7-16000108.9G172 E173E167-G172 WeakPolarHBondContact OE1-CA 3.44Å; E167-E173 PolarHBondContact OE1-N 2.83Å; E167-E173 VanDerWaalsContact OE2-CA 3.3Å; E167-E173 WeakPolarHBondContact OE2-CA 3.32Å; E167-E173 WeakPolarHBondContact OE2-CB 3.29Å; E167-E173 PolarHBondContact OE2-N 3.36Å
168D97.2Very high95.8Very high1 Ų154.4 Ų54.41%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-89.8125171.6-168.9-87.7000110.2F166 V170 K171 G172 I174 F239 G240 H241F166-D168 HydrophobicContact CD2-CB 4.39Å; F166-D168 HydrophobicContact CE2-CB 3.98Å; D168-V170 PolarHBondContact O-N 3.14Å; D168-V170 WeakPolarHBondContact OD1-CA 3.48Å; D168-V170 WeakPolarHBondContact OD1-CB 3.44Å; D168-V170 PolarHBondContact OD1-N 3.36Å; D168-K171 HydrophobicContact CB-CB 3.95Å; D168-K171 PolarHBondContact O-N 2.87Å; D168-K171 PolarHBondContact OD1-N 2.64Å; D168-G172 WeakPolarHBondContact CB-O 3.33Å; D168-G172 PolarHBondContact N-O 3.45Å; D168-G172 WeakPolarHBondContact O-CA 3.5Å; D168-G172 PolarHBondContact O-N 2.91Å; D168-I174 HydrophobicContact CB-CD1 3.97Å; D168-I174 HydrophobicContact CB-CG1 4.36Å; D168-F239 WeakPolarHBondContact CA-O 3.19Å; D168-G240 WeakPolarHBondContact OD2-CA 3.49Å; D168-H241 PolarHBondContact OD1-N 3.48Å; D168-H241 VanDerWaalsContact OD1-N 3.14Å; D168-H241 IonicContact OD2-CE1 3.55Å; D168-H241 IonicContact OD2-CG 3.81Å; D168-H241 PolarHBondContact OD2-N 3.49Å; D168-H241 VanDerWaalsContact OD2-N 3.09Å; D168-H241 IonicContact OD2-ND1 2.65Å; D168-H241 PolarHBondContact OD2-ND1 3.07Å
169M95.5Very high95.5Very high46 Ų4656.2 Ų56.223%0.22729%0.291CS..THydrogen-bonded Turntrans-63.2-19.1-177.561166.341.500114.2L213 T238 F239 G240 T307M169-L213 HydrophobicContact CE-CD2 4.28Å; M169-L213 HydrophobicContact CG-CD2 4.36Å; M169-L213 HydrophobicContact SD-CD2 3.33Å; M169-L213 WeakPolarHBondContact SD-CD2 3.47Å; M169-T238 HydrophobicContact CE-CG2 3.99Å; M169-F239 WeakPolarHBondContact CG-O 3.49Å; M169-F239 PolarHBondContact N-O 3.04Å; M169-G240 VanDerWaalsContact CG-CA 3.44Å; M169-T307 HydrophobicContact CE-CG2 4.26Å; M169-T307 HydrophobicContact SD-CG2 3.85Å
170V95.5Very high95.2Very high5 Ų558.9 Ų58.93%0.0330%0.302CS..THydrogen-bonded Turntrans-99.8-43.7176.8-173.10000110.8D168 L310 K312D168-V170 PolarHBondContact O-N 3.14Å; D168-V170 WeakPolarHBondContact OD1-CA 3.48Å; D168-V170 WeakPolarHBondContact OD1-CB 3.44Å; D168-V170 PolarHBondContact OD1-N 3.36Å; V170-L310 HydrophobicContact CG1-CB 4.15Å; V170-L310 HydrophobicContact CG2-CB 3.91Å; V170-L310 HydrophobicContact CG2-CD1 3.67Å; V170-L310 HydrophobicContact CG2-CG 4.4Å; V170-K312 WeakPolarHBondContact O-CE 3.38Å; V170-K312 WeakPolarHBondContact O-CG 3.47Å
171K94.5Very high95Very high58 Ų5853.5 Ų53.525%0.25228%0.284SS..THydrogen-bonded Turntrans-98.1-13.7-169-58.2-69-173.9163.40114.1D168 I174 D216 I219 H241D168-K171 HydrophobicContact CB-CB 3.95Å; D168-K171 PolarHBondContact O-N 2.87Å; D168-K171 PolarHBondContact OD1-N 2.64Å; K171-I174 HydrophobicContact CB-CD1 3.87Å; K171-I174 HydrophobicContact CB-CG1 4.39Å; K171-I174 HydrophobicContact CG-CD1 4.46Å; K171-D216 IonicContact NZ-OD2 3.2Å; K171-D216 PolarHBondContact NZ-OD2 3.41Å; K171-I219 HydrophobicContact CG-CD1 4.28Å; K171-H241 VanDerWaalsContact CE-O 3.25Å; K171-H241 WeakPolarHBondContact CE-O 3.11Å; K171-H241 HydrophobicContact CG-CB 4.43Å
172G95.1Very high94.8Very high15 Ų1547.9 Ų47.916%0.15526%0.261CS..EExtended strand (participates in β ladder)trans83.5-159.7-173.200000112.5E167 D168 I174E167-G172 WeakPolarHBondContact OE1-CA 3.44Å; D168-G172 WeakPolarHBondContact CB-O 3.33Å; D168-G172 PolarHBondContact N-O 3.45Å; D168-G172 WeakPolarHBondContact O-CA 3.5Å; D168-G172 PolarHBondContact O-N 2.91Å; G172-I174 PolarHBondContact O-N 3.33Å
173E97.3Very high94.7Very high148 Ų14845.7 Ų45.769%0.69225%0.248SC*.EExtended strand (participates in β ladder)trans-59.8124177.5-169.1-179.983.600111.7T165 E167T165-E173 HydrophobicContact CG2-CG 3.55Å; E167-E173 PolarHBondContact OE1-N 2.83Å; E167-E173 VanDerWaalsContact OE2-CA 3.3Å; E167-E173 WeakPolarHBondContact OE2-CA 3.32Å; E167-E173 WeakPolarHBondContact OE2-CB 3.29Å; E167-E173 PolarHBondContact OE2-N 3.36Å
174I96.4Very high94.7Very high27 Ų2743.5 Ų43.514%0.13823%0.232CC..EExtended strand (participates in β ladder)trans-123.5132.9172-51177.5000108.9T165 F166 D168 K171 G172 F176 I219T165-I174 VanDerWaalsContact CA-O 3.32Å; T165-I174 WeakPolarHBondContact CA-O 3.35Å; F166-I174 HydrophobicContact CD1-CB 4.49Å; F166-I174 HydrophobicContact CE1-CB 3.92Å; F166-I174 HydrophobicContact CE1-CG2 4.21Å; F166-I174 HydrophobicContact CE2-CB 4.4Å; F166-I174 HydrophobicContact CE2-CD1 4.13Å; F166-I174 HydrophobicContact CZ-CB 3.87Å; F166-I174 HydrophobicContact CZ-CD1 3.86Å; F166-I174 HydrophobicContact CZ-CG1 4.33Å; F166-I174 HydrophobicContact CZ-CG2 4.3Å; F166-I174 PolarHBondContact N-O 3.41Å; F166-I174 PolarHBondContact O-N 2.86Å; D168-I174 HydrophobicContact CB-CD1 3.97Å; D168-I174 HydrophobicContact CB-CG1 4.36Å; K171-I174 HydrophobicContact CB-CD1 3.87Å; K171-I174 HydrophobicContact CB-CG1 4.39Å; K171-I174 HydrophobicContact CG-CD1 4.46Å; G172-I174 PolarHBondContact O-N 3.33Å; I174-F176 HydrophobicContact CB-CE2 4.4Å; I174-F176 HydrophobicContact CG2-CD2 3.88Å; I174-F176 HydrophobicContact CG2-CE2 3.2Å; I174-F176 HydrophobicContact CG2-CZ 3.77Å; I174-I219 HydrophobicContact CD1-CD1 4.21Å; I174-I219 HydrophobicContact CD1-CG2 4.31Å
175S96.5Very high94.8Very high58 Ų5844.1 Ų44.141%0.40623%0.234SC..EExtended strand (participates in β ladder)trans-126.1140178.9-174.30000111.7S163 T165S163-S175 PolarHBondContact OG-OG 3.32Å; T165-S175 WeakPolarHBondContact OG1-CB 3.25Å; T165-S175 PolarHBondContact OG1-OG 3.44Å
176F95Very high94.8Very high61 Ų6144.1 Ų44.127%0.26823%0.232SC..EExtended strand (participates in β ladder)trans-134.9133.8177.9-69.6-88.6000111.8F164 F166 I174 I219 P223F164-F176 PolarHBondContact N-O 3.38Å; F164-F176 PolarHBondContact O-N 3.24Å; F166-F176 HydrophobicContact CE1-CD2 4.2Å; F166-F176 HydrophobicContact CE1-CE2 4.03Å; I174-F176 HydrophobicContact CB-CE2 4.4Å; I174-F176 HydrophobicContact CG2-CD2 3.88Å; I174-F176 HydrophobicContact CG2-CE2 3.2Å; I174-F176 HydrophobicContact CG2-CZ 3.77Å; F176-I219 HydrophobicContact CE2-CG2 3.98Å; F176-I219 HydrophobicContact CZ-CG2 3.61Å; F176-P223 HydrophobicContact CB-CB 4.08Å; F176-P223 HydrophobicContact CB-CG 3.63Å; F176-P223 HydrophobicContact CD1-CG 4.01Å; F176-P223 HydrophobicContact CD2-CB 4.45Å; F176-P223 HydrophobicContact CD2-CG 3.26Å; F176-P223 HydrophobicContact CE2-CG 3.8Å; F176-P223 HydrophobicContact CG-CB 4.33Å; F176-P223 HydrophobicContact CG-CG 3.36Å; F176-P223 HydrophobicContact CZ-CG 4.43Å
177E95.7Very high94.9Very high84 Ų8443.3 Ų43.339%0.39323%0.228SC..EExtended strand (participates in β ladder)trans-82.6132.1171-60.6-53.4130.600111.1S163 D179 N180S163-E177 WeakPolarHBondContact CB-OE1 3.45Å; S163-E177 PolarHBondContact OG-OE1 3.43Å; E177-D179 PolarHBondContact O-N 3.36Å; E177-N180 WeakPolarHBondContact O-CB 3.36Å; E177-N180 PolarHBondContact O-N 3.38Å
178S94.6Very high95Very high1 Ų138.4 Ų38.41%0.00721%0.205CC..G310 helixtrans-59.7-31.8-177.263.70000113.3V158 P159 T162 N180 V181V158-S178 WeakPolarHBondContact CG1-O 3.32Å; P159-S178 WeakPolarHBondContact O-CB 3.24Å; P159-S178 PolarHBondContact O-OG 3.46Å; T162-S178 PolarHBondContact N-OG 2.8Å; T162-S178 VanDerWaalsContact N-OG 3.14Å; T162-S178 WeakPolarHBondContact O-CB 3.45Å; T162-S178 PolarHBondContact O-N 2.8Å; T162-S178 PolarHBondContact O-OG 3.47Å; S178-N180 PolarHBondContact O-N 3.01Å; S178-N180 VanDerWaalsContact O-N 3.14Å; S178-V181 WeakPolarHBondContact O-CG2 3.3Å; S178-V181 PolarHBondContact O-N 3.34Å
179D91.2Very high94.9Very high44 Ų4441 Ų4124%0.23522%0.217CC..G310 helixtrans-68.5-12.5179-69.5-51000113.4H129 R160 N161 E177H129-D179 PolarHBondContact CE1-O 3.24Å; R160-D179 VanDerWaalsContact CD-OD1 3.22Å; R160-D179 WeakPolarHBondContact CD-OD1 3.39Å; R160-D179 IonicContact CZ-OD1 3.83Å; R160-D179 IonicContact NH1-OD1 3.31Å; R160-D179 PolarHBondContact NH1-OD1 3.03Å; N161-D179 PolarHBondContact N-OD2 3.28Å; N161-D179 PolarHBondContact OD1-OD2 3.46Å; E177-D179 PolarHBondContact O-N 3.36Å
180N90.4Very high94.8Very high108 Ų10843.9 Ų43.958%0.57823%0.225SC*.G310 helixtrans-92.6-0.6176.7-65.6-27.5000113.9E177 S178 G182E177-N180 WeakPolarHBondContact O-CB 3.36Å; E177-N180 PolarHBondContact O-N 3.38Å; S178-N180 PolarHBondContact O-N 3.01Å; S178-N180 VanDerWaalsContact O-N 3.14Å; N180-G182 VanDerWaalsContact C-N 3.27Å; N180-G182 PolarHBondContact O-N 3.28Å
181V88.5Confident94.7Very high19 Ų1947.6 Ų47.612%0.11525%0.245CC..SBendtrans-83.15.9-174.6-56.60000115.4V158 S178 P223 K224 M227V158-V181 HydrophobicContact CB-CG2 4.37Å; V158-V181 HydrophobicContact CG1-CG2 3.7Å; V158-V181 HydrophobicContact CG2-CG2 3.74Å; S178-V181 WeakPolarHBondContact O-CG2 3.3Å; S178-V181 PolarHBondContact O-N 3.34Å; V181-P223 HydrophobicContact CG1-CB 4.33Å; V181-K224 VanDerWaalsContact O-CE 3.25Å; V181-K224 WeakPolarHBondContact O-CE 3.42Å; V181-K224 PolarHBondContact O-NZ 2.8Å; V181-M227 HydrophobicContact CG1-CE 3.91Å; V181-M227 HydrophobicContact CG2-CE 4Å; V181-M227 HydrophobicContact CG2-SD 4.43Å
182G90.6Very high94.6Very high27 Ų2745.2 Ų45.228%0.27824%0.237SC..  trans92.69.2-179.500000115.1H129 Y130 N180H129-G182 WeakPolarHBondContact CA-O 3.12Å; H129-G182 VanDerWaalsContact CD2-CA 3.45Å; H129-G182 WeakPolarHBondContact CD2-CA 3.5Å; Y130-G182 PolarHBondContact N-O 3.21Å; N180-G182 VanDerWaalsContact C-N 3.27Å; N180-G182 PolarHBondContact O-N 3.28Å
183G93.4Very high94.6Very high4 Ų445.4 Ų45.44%0.04123%0.234CC..SBendtrans79.2-167.1-172.600000113.6V158 F185V158-G183 WeakPolarHBondContact CG2-O 3.07Å; G183-F185 PolarHBondContact O-N 3.03Å; G183-F185 VanDerWaalsContact O-N 3.16Å
184D97.1Very high94.5Very high10 Ų1038.4 Ų38.45%0.05320%0.201CC..SBendtrans-60.8115-174-65.2-7.9000111.6Y105 Y130 R155 F156 V158Y105-D184 HydrophobicContact CE1-CB 4.15Å; Y105-D184 WeakPolarHBondContact CE1-OD2 3.42Å; Y105-D184 VanDerWaalsContact CZ-OD2 3.27Å; Y105-D184 WeakPolarHBondContact OH-CB 2.77Å; Y105-D184 VanDerWaalsContact OH-CG 3.32Å; Y105-D184 PolarHBondContact OH-OD2 3.15Å; Y130-D184 HydrophobicContact CD1-CB 4.11Å; R155-D184 HydrophobicContact CB-CB 4.32Å; R155-D184 PolarHBondContact NH1-O 3.17Å; F156-D184 VanDerWaalsContact O-CA 3.26Å; F156-D184 WeakPolarHBondContact O-CA 3.24Å; F156-D184 WeakPolarHBondContact O-CB 3.48Å; V158-D184 PolarHBondContact N-OD1 3.3Å
185F96.9Very high94.5Very high17 Ų1738.6 Ų38.68%0.07520%0.204CC..  trans-96.1152.1-17358.5-92.2000112.2R155 F156 V158 G183 I187 K224 M227 I228R155-F185 CarbonylContact C-O 3.56Å; R155-F185 VanDerWaalsContact CA-O 3.26Å; R155-F185 WeakPolarHBondContact CA-O 3.32Å; F156-F185 HydrophobicContact CB-CD2 4.28Å; F156-F185 HydrophobicContact CB-CE1 4.35Å; F156-F185 HydrophobicContact CB-CE2 3.89Å; F156-F185 HydrophobicContact CB-CZ 3.93Å; F156-F185 HydrophobicContact CD1-CD1 4.48Å; F156-F185 AromaticContact CD1-CE1 3.6Å; F156-F185 HydrophobicContact CD1-CE1 3.6Å; F156-F185 HydrophobicContact CD1-CE2 4.34Å; F156-F185 AromaticContact CD1-CZ 3.51Å; F156-F185 HydrophobicContact CD1-CZ 3.51Å; F156-F185 HydrophobicContact CE1-CE1 4.34Å; F156-F185 HydrophobicContact CE1-CZ 4.25Å; F156-F185 HydrophobicContact CG-CE1 4.3Å; F156-F185 HydrophobicContact CG-CE2 4.26Å; F156-F185 AromaticContact CG-CZ 3.85Å; F156-F185 HydrophobicContact CG-CZ 3.85Å; F156-F185 PolarHBondContact N-O 2.7Å; V158-F185 HydrophobicContact CG2-CD1 3.69Å; V158-F185 HydrophobicContact CG2-CE1 3.77Å; G183-F185 PolarHBondContact O-N 3.03Å; G183-F185 VanDerWaalsContact O-N 3.16Å; F185-I187 HydrophobicContact CD2-CG2 3.97Å; F185-I187 HydrophobicContact CE2-CG2 3.68Å; F185-I187 PolarHBondContact O-N 3.43Å; F185-K224 HydrophobicContact CD1-CD 4.14Å; F185-K224 HydrophobicContact CD1-CG 4.12Å; F185-K224 HydrophobicContact CE1-CB 4.05Å; F185-K224 HydrophobicContact CE1-CD 4.43Å; F185-K224 HydrophobicContact CE1-CG 3.94Å; F185-K224 HydrophobicContact CE2-CB 4.36Å; F185-K224 HydrophobicContact CG-CD 4.25Å; F185-K224 HydrophobicContact CZ-CB 3.93Å; F185-K224 HydrophobicContact CZ-CG 4.32Å; F185-M227 HydrophobicContact CE1-SD 3.91Å; F185-I228 HydrophobicContact CE2-CD1 4.26Å; F185-I228 HydrophobicContact CZ-CD1 4.16Å
186I97.6Very high94.5Very high54 Ų5438.3 Ų38.328%0.27719%0.194SC..EExtended strand (participates in β ladder)trans-71.2130.1179.9-60.1172.9000109.5V153 I154 R155 Q188 T195V153-I186 HydrophobicContact CB-CD1 4.36Å; V153-I186 HydrophobicContact CB-CG1 4.42Å; V153-I186 HydrophobicContact CB-CG2 4.04Å; V153-I186 HydrophobicContact CG1-CD1 4.37Å; V153-I186 HydrophobicContact CG2-CD1 3.99Å; V153-I186 HydrophobicContact CG2-CG1 3.98Å; V153-I186 HydrophobicContact CG2-CG2 4.48Å; I154-I186 CarbonylContact O-C 3.56Å; I154-I186 WeakPolarHBondContact O-CA 3.32Å; R155-I186 HydrophobicContact CG-CG1 4.07Å; I186-Q188 WeakPolarHBondContact CG2-O 3.42Å; I186-T195 HydrophobicContact CB-CG2 4.2Å; I186-T195 HydrophobicContact CG2-CG2 3.73Å; I186-T195 WeakPolarHBondContact O-CB 3.48Å; I186-T195 WeakPolarHBondContact O-CG2 3.12Å; I186-T195 PolarHBondContact O-OG1 3.3Å
187I98.3Very high94.7Very high0 Ų036.3 Ų36.30%019%0.186CC..EExtended strand (participates in β ladder)trans-109.1-21.4171.958.3170.5000113.1L98 A104 I154 F156 F185 P194 T195 F198 I228L98-I187 HydrophobicContact CD1-CD1 3.84Å; A104-I187 HydrophobicContact CB-CD1 3.96Å; I154-I187 HydrophobicContact CB-CG1 4.14Å; I154-I187 HydrophobicContact CG2-CD1 3.97Å; I154-I187 HydrophobicContact CG2-CG1 3.86Å; I154-I187 WeakPolarHBondContact O-CG1 3.49Å; I154-I187 PolarHBondContact O-N 2.77Å; F156-I187 HydrophobicContact CB-CD1 4.43Å; F156-I187 HydrophobicContact CB-CG2 3.6Å; F185-I187 HydrophobicContact CD2-CG2 3.97Å; F185-I187 HydrophobicContact CE2-CG2 3.68Å; F185-I187 PolarHBondContact O-N 3.43Å; I187-P194 CarbonylContact O-C 3.5Å; I187-P194 WeakPolarHBondContact O-CA 3.45Å; I187-T195 WeakPolarHBondContact CA-OG1 3.5Å; I187-T195 PolarHBondContact O-N 3.03Å; I187-F198 HydrophobicContact CB-CB 3.83Å; I187-F198 HydrophobicContact CB-CD2 4.06Å; I187-F198 HydrophobicContact CB-CG 3.95Å; I187-F198 HydrophobicContact CD1-CD2 4.31Å; I187-F198 HydrophobicContact CD1-CE2 4.42Å; I187-F198 HydrophobicContact CG2-CB 3.92Å; I187-F198 HydrophobicContact CG2-CD2 4.14Å; I187-F198 HydrophobicContact CG2-CG 4.29Å; I187-I228 HydrophobicContact CG2-CD1 4.34Å
188Q97.7Very high94.8Very high19 Ų1932.3 Ų32.39%0.08917%0.167CC..EExtended strand (participates in β ladder)trans-136.5128.4172.9-166179.538.400110.4I95 V153 I154 I186 G192I95-Q188 HydrophobicContact CD1-CB 3.96Å; I95-Q188 HydrophobicContact CD1-CG 4.03Å; V153-Q188 WeakPolarHBondContact CA-O 3.3Å; V153-Q188 WeakPolarHBondContact CB-O 3.43Å; I154-Q188 HydrophobicContact CB-CB 3.75Å; I154-Q188 HydrophobicContact CG1-CB 3.81Å; I154-Q188 PolarHBondContact N-O 3.45Å; I154-Q188 PolarHBondContact O-N 2.74Å; I186-Q188 WeakPolarHBondContact CG2-O 3.42Å; Q188-G192 WeakPolarHBondContact CG-O 3.45Å; Q188-G192 PolarHBondContact NE2-O 2.84Å
189K95.6Very high95Very high56 Ų5632.2 Ų32.224%0.24317%0.167CC..  trans-75.7169.2174.3-67.8-178.1-70.4153.80111T45 D191 G192 M193 T195T45-K189 PolarHBondContact O-NZ 3.42Å; K189-D191 VanDerWaalsContact C-N 3.25Å; K189-D191 WeakPolarHBondContact CB-OD1 3.34Å; K189-D191 WeakPolarHBondContact CE-OD1 3.28Å; K189-D191 IonicContact NZ-OD1 2.66Å; K189-D191 IonicContact NZ-OD2 2.92Å; K189-D191 PolarHBondContact NZ-OD2 2.93Å; K189-D191 PolarHBondContact O-N 3.13Å; K189-G192 WeakPolarHBondContact O-CA 3.39Å; K189-G192 PolarHBondContact O-N 3.4Å; K189-M193 PolarHBondContact N-O 3.49Å; K189-T195 HydrophobicContact CG-CG2 4.11Å
190R94Very high95.3Very high106 Ų10630.1 Ų30.140%0.416%0.156SC..THydrogen-bonded Turntrans-60.3-34.1177.5-61.8-171.8-179.9113.43.9113C109 E151 V153 G192C109-R190 PolarHBondContact O-NH2 3.01Å; E151-R190 HydrophobicContact CB-CB 4.4Å; E151-R190 HydrophobicContact CB-CG 4.48Å; E151-R190 WeakPolarHBondContact O-CD 3.45Å; E151-R190 PolarHBondContact O-NE 3.32Å; V153-R190 HydrophobicContact CG1-CG 3.6Å; R190-G192 PolarHBondContact O-N 2.9Å; R190-G192 VanDerWaalsContact O-N 3.12Å
191D91.8Very high95.7Very high84 Ų8425 Ų2545%0.44913%0.128SC..THydrogen-bonded Turntrans-69.5-1.9175639.7000113.6K189 M193K189-D191 VanDerWaalsContact C-N 3.25Å; K189-D191 WeakPolarHBondContact CB-OD1 3.34Å; K189-D191 WeakPolarHBondContact CE-OD1 3.28Å; K189-D191 IonicContact NZ-OD1 2.66Å; K189-D191 IonicContact NZ-OD2 2.92Å; K189-D191 PolarHBondContact NZ-OD2 2.93Å; K189-D191 PolarHBondContact O-N 3.13Å; D191-M193 VanDerWaalsContact C-N 3.28Å; D191-M193 PolarHBondContact O-N 3.03Å; D191-M193 WeakPolarHBondContact OD1-CB 3.43Å; D191-M193 PolarHBondContact OD1-N 3.04Å
192G92.8Very high96.2Very high8 Ų824.1 Ų24.18%0.08212%0.123CC..SBendtrans83.2-5.7-178.500000114.4Q188 K189 R190Q188-G192 WeakPolarHBondContact CG-O 3.45Å; Q188-G192 PolarHBondContact NE2-O 2.84Å; K189-G192 WeakPolarHBondContact O-CA 3.39Å; K189-G192 PolarHBondContact O-N 3.4Å; R190-G192 PolarHBondContact O-N 2.9Å; R190-G192 VanDerWaalsContact O-N 3.12Å
193M94.4Very high96.6Very high18 Ų1822.8 Ų22.89%0.08911%0.11CC..PPolyproline II helixtrans-74.5139.8176.9-77-60.7-69.900111T45 K189 D191T45-M193 HydrophobicContact CG2-CE 3.84Å; K189-M193 PolarHBondContact N-O 3.49Å; D191-M193 VanDerWaalsContact C-N 3.28Å; D191-M193 PolarHBondContact O-N 3.03Å; D191-M193 WeakPolarHBondContact OD1-CB 3.43Å; D191-M193 PolarHBondContact OD1-N 3.04Å
194P97Very high96.8Very high1 Ų122.6 Ų22.61%0.00611%0.108CC..BIsolated β-bridgetrans-66.9160.2174.634.1-41.2000111.3T45 Y91 I187 F198 A199T45-P194 HydrophobicContact CG2-CG 4.2Å; Y91-P194 HydrophobicContact CD2-CB 4.32Å; Y91-P194 HydrophobicContact CD2-CG 3.45Å; Y91-P194 VanDerWaalsContact CD2-CG 3.45Å; Y91-P194 HydrophobicContact CE2-CG 3.65Å; Y91-P194 HydrophobicContact CG-CB 4.34Å; Y91-P194 HydrophobicContact CG-CG 3.93Å; I187-P194 CarbonylContact O-C 3.5Å; I187-P194 WeakPolarHBondContact O-CA 3.45Å; P194-F198 HydrophobicContact CB-CD1 3.85Å; P194-A199 HydrophobicContact CB-CB 4.06Å; P194-A199 HydrophobicContact CG-CB 3.84Å
195T96.3Very high96.9Very high31 Ų3123.6 Ų23.619%0.1911%0.112CC..PPolyproline II helixtrans-90159.9168.366.90000111.2I186 I187 K189 N197 F198 A199I186-T195 HydrophobicContact CB-CG2 4.2Å; I186-T195 HydrophobicContact CG2-CG2 3.73Å; I186-T195 WeakPolarHBondContact O-CB 3.48Å; I186-T195 WeakPolarHBondContact O-CG2 3.12Å; I186-T195 PolarHBondContact O-OG1 3.3Å; I187-T195 WeakPolarHBondContact CA-OG1 3.5Å; I187-T195 PolarHBondContact O-N 3.03Å; K189-T195 HydrophobicContact CG-CG2 4.11Å; T195-N197 PolarHBondContact O-N 3.13Å; T195-F198 PolarHBondContact O-N 3.19Å; T195-F198 VanDerWaalsContact O-N 3.13Å; T195-A199 PolarHBondContact O-N 3.35Å
196Y96.5Very high97Very high53 Ų5325.4 Ų25.421%0.20812%0.122CC..Hα-helixtrans-42.2-56.1-178.3172.9-97000114E43 F198 A199 V200 H218 N221E43-Y196 WeakPolarHBondContact OE2-CE2 3.29Å; Y196-F198 VanDerWaalsContact C-N 3.29Å; Y196-F198 PolarHBondContact O-N 3.23Å; Y196-A199 PolarHBondContact O-N 2.89Å; Y196-V200 HydrophobicContact CD1-CG2 4.36Å; Y196-V200 HydrophobicContact CD2-CG2 3.62Å; Y196-V200 HydrophobicContact CE1-CG2 4.2Å; Y196-V200 HydrophobicContact CE2-CG2 3.47Å; Y196-V200 VanDerWaalsContact CE2-CG2 3.47Å; Y196-V200 HydrophobicContact CG-CG2 4.07Å; Y196-V200 VanDerWaalsContact O-CB 3.23Å; Y196-V200 WeakPolarHBondContact O-CB 3.42Å; Y196-V200 WeakPolarHBondContact O-CG2 3.27Å; Y196-V200 PolarHBondContact O-N 2.92Å; Y196-H218 AromaticContact CZ-CE1 3.97Å; Y196-H218 AromaticContact CZ-ND1 3.69Å; Y196-H218 PolarHBondContact OH-CE1 2.88Å; Y196-H218 PolarHBondContact OH-ND1 2.75Å; Y196-N221 HydrophobicContact CE1-CB 4.15Å
197N97.6Very high97Very high18 Ų1822.9 Ų22.910%0.09611%0.109CC..Hα-helixtrans-64.2-33.4-173.1-75.6-47.8000113.5T195 A201 N221 K224 Q225T195-N197 PolarHBondContact O-N 3.13Å; N197-A201 WeakPolarHBondContact O-CB 3.27Å; N197-A201 PolarHBondContact O-N 3.4Å; N197-N221 PolarHBondContact ND2-OD1 3.29Å; N197-N221 VanDerWaalsContact OD1-CB 3.3Å; N197-N221 WeakPolarHBondContact OD1-CB 3.43Å; N197-N221 PolarHBondContact OD1-OD1 3.11Å; N197-K224 HydrophobicContact CB-CB 4.22Å; N197-Q225 HydrophobicContact CB-CG 4.3Å; N197-Q225 PolarHBondContact OD1-NE2 2.96Å; N197-Q225 VanDerWaalsContact OD1-NE2 3.16Å
198F98.5Very high97Very high0 Ų027.5 Ų27.50%013%0.129CC..Hα-helixtrans-75-52.7176.2-178.1-101.3000111.1Y91 L94 I95 L98 I187 P194 T195 Y196 V200 A201 V202 I228 F232Y91-F198 HydrophobicContact CD1-CE1 4.38Å; L94-F198 HydrophobicContact CB-CZ 3.96Å; I95-F198 HydrophobicContact CD1-CD1 4.45Å; I95-F198 HydrophobicContact CD1-CE1 3.89Å; I95-F198 HydrophobicContact CD1-CZ 4.42Å; I95-F198 HydrophobicContact CG1-CD1 4.35Å; I95-F198 HydrophobicContact CG1-CE1 3.56Å; I95-F198 HydrophobicContact CG1-CE2 4.4Å; I95-F198 HydrophobicContact CG1-CZ 3.59Å; L98-F198 HydrophobicContact CD1-CD2 4.44Å; L98-F198 HydrophobicContact CD1-CE2 3.71Å; I187-F198 HydrophobicContact CB-CB 3.83Å; I187-F198 HydrophobicContact CB-CD2 4.06Å; I187-F198 HydrophobicContact CB-CG 3.95Å; I187-F198 HydrophobicContact CD1-CD2 4.31Å; I187-F198 HydrophobicContact CD1-CE2 4.42Å; I187-F198 HydrophobicContact CG2-CB 3.92Å; I187-F198 HydrophobicContact CG2-CD2 4.14Å; I187-F198 HydrophobicContact CG2-CG 4.29Å; P194-F198 HydrophobicContact CB-CD1 3.85Å; T195-F198 PolarHBondContact O-N 3.19Å; T195-F198 VanDerWaalsContact O-N 3.13Å; Y196-F198 VanDerWaalsContact C-N 3.29Å; Y196-F198 PolarHBondContact O-N 3.23Å; F198-V200 VanDerWaalsContact C-N 3.33Å; F198-V200 PolarHBondContact O-N 3.29Å; F198-A201 PolarHBondContact O-N 3.4Å; F198-V202 HydrophobicContact CD1-CG2 4.12Å; F198-V202 HydrophobicContact CD2-CG2 4.26Å; F198-V202 HydrophobicContact CE1-CG2 3.79Å; F198-V202 HydrophobicContact CE2-CG2 3.94Å; F198-V202 HydrophobicContact CG-CG2 4.35Å; F198-V202 HydrophobicContact CZ-CG2 3.69Å; F198-V202 WeakPolarHBondContact O-CB 3.33Å; F198-V202 WeakPolarHBondContact O-CG2 3.4Å; F198-V202 PolarHBondContact O-N 3.29Å; F198-I228 HydrophobicContact CD2-CD1 4.13Å; F198-I228 HydrophobicContact CD2-CG1 4.42Å; F198-I228 HydrophobicContact CD2-CG2 4.13Å; F198-I228 HydrophobicContact CE2-CG2 4.36Å; F198-F232 HydrophobicContact CE2-CE2 4.04Å; F198-F232 HydrophobicContact CE2-CZ 4.29Å
199A98.4Very high97Very high0 Ų027.1 Ų27.10%013%0.128CC..Hα-helixtrans-59-44.2-177.800000111.8T45 Y91 P194 T195 Y196 V202 D203T45-A199 HydrophobicContact CG2-CB 4.4Å; Y91-A199 HydrophobicContact CE1-CB 4.16Å; P194-A199 HydrophobicContact CB-CB 4.06Å; P194-A199 HydrophobicContact CG-CB 3.84Å; T195-A199 PolarHBondContact O-N 3.35Å; Y196-A199 PolarHBondContact O-N 2.89Å; A199-V202 PolarHBondContact O-N 3.41Å; A199-D203 WeakPolarHBondContact O-CB 3.48Å; A199-D203 VanDerWaalsContact O-CG 3.22Å; A199-D203 PolarHBondContact O-N 3.49Å
200V98.4Very high97.2Very high0 Ų025.5 Ų25.50%012%0.122CC..Hα-helixtrans-60.6-49.3177.7171.80000111.6E43 Y196 F198 V202 D203 D204E43-V200 WeakPolarHBondContact OE1-CG2 3.49Å; Y196-V200 HydrophobicContact CD1-CG2 4.36Å; Y196-V200 HydrophobicContact CD2-CG2 3.62Å; Y196-V200 HydrophobicContact CE1-CG2 4.2Å; Y196-V200 HydrophobicContact CE2-CG2 3.47Å; Y196-V200 VanDerWaalsContact CE2-CG2 3.47Å; Y196-V200 HydrophobicContact CG-CG2 4.07Å; Y196-V200 VanDerWaalsContact O-CB 3.23Å; Y196-V200 WeakPolarHBondContact O-CB 3.42Å; Y196-V200 WeakPolarHBondContact O-CG2 3.27Å; Y196-V200 PolarHBondContact O-N 2.92Å; F198-V200 VanDerWaalsContact C-N 3.33Å; F198-V200 PolarHBondContact O-N 3.29Å; V200-V202 PolarHBondContact O-N 3.13Å; V200-D203 PolarHBondContact O-N 2.85Å; V200-D204 WeakPolarHBondContact CG1-OD2 3.37Å; V200-D204 VanDerWaalsContact O-CB 3.25Å; V200-D204 WeakPolarHBondContact O-CB 3.46Å; V200-D204 VanDerWaalsContact O-CG 3.27Å; V200-D204 PolarHBondContact O-N 3.04Å
201A98.6Very high97.4Very high0 Ų021.9 Ų21.90%011%0.11CC..Hα-helixtrans-65.2-41.4-178.100000111.7N197 F198 H205 Q225 I228 Y229N197-A201 WeakPolarHBondContact O-CB 3.27Å; N197-A201 PolarHBondContact O-N 3.4Å; F198-A201 PolarHBondContact O-N 3.4Å; A201-H205 WeakPolarHBondContact O-CB 3.31Å; A201-H205 PolarHBondContact O-N 3.44Å; A201-H205 VanDerWaalsContact O-N 3.11Å; A201-Q225 HydrophobicContact CB-CB 4.28Å; A201-Q225 HydrophobicContact CB-CG 4.47Å; A201-I228 HydrophobicContact CB-CB 3.86Å; A201-I228 HydrophobicContact CB-CG1 4.46Å; A201-I228 HydrophobicContact CB-CG2 3.83Å; A201-Y229 HydrophobicContact CB-CD2 4.3Å; A201-Y229 HydrophobicContact CB-CE2 3.95Å; A201-Y229 PolarHBondContact O-OH 3.06Å
202V98.8Very high97.7Very high0 Ų017.9 Ų17.90%09%0.088CC..Hα-helixtrans-61.8-49.4175.6171.30000110.6V90 Y91 L94 F198 A199 V200 H205 L206 W234V90-V202 HydrophobicContact CG1-CG1 4.28Å; Y91-V202 HydrophobicContact CD1-CB 4.25Å; Y91-V202 HydrophobicContact CD1-CG1 3.85Å; Y91-V202 HydrophobicContact CE1-CB 4.26Å; Y91-V202 HydrophobicContact CE1-CG1 3.97Å; L94-V202 HydrophobicContact CD1-CB 4.38Å; L94-V202 HydrophobicContact CD1-CG1 3.47Å; L94-V202 VanDerWaalsContact CD1-CG1 3.47Å; L94-V202 HydrophobicContact CD1-CG2 4.01Å; F198-V202 HydrophobicContact CD1-CG2 4.12Å; F198-V202 HydrophobicContact CD2-CG2 4.26Å; F198-V202 HydrophobicContact CE1-CG2 3.79Å; F198-V202 HydrophobicContact CE2-CG2 3.94Å; F198-V202 HydrophobicContact CG-CG2 4.35Å; F198-V202 HydrophobicContact CZ-CG2 3.69Å; F198-V202 WeakPolarHBondContact O-CB 3.33Å; F198-V202 WeakPolarHBondContact O-CG2 3.4Å; F198-V202 PolarHBondContact O-N 3.29Å; A199-V202 PolarHBondContact O-N 3.41Å; V200-V202 PolarHBondContact O-N 3.13Å; V202-H205 PolarHBondContact O-N 3.01Å; V202-L206 HydrophobicContact CG1-CD1 3.67Å; V202-L206 HydrophobicContact CG1-CG 4.31Å; V202-L206 WeakPolarHBondContact O-CB 3.41Å; V202-L206 VanDerWaalsContact O-CG 3.29Å; V202-L206 WeakPolarHBondContact O-CG 3.41Å; V202-L206 PolarHBondContact O-N 2.82Å; V202-W234 HydrophobicContact CG2-CH2 4.2Å; V202-W234 HydrophobicContact CG2-CZ3 4.28Å
203D98.8Very high97.9Very high0 Ų017.5 Ų17.50%09%0.085CC..Hα-helixtrans-71.7-39.6-176.1-69.5-25.5000112.6Q84 R87 Y91 A199 V200 H205 L206 M207Q84-D203 WeakPolarHBondContact CG-OD2 3.35Å; Q84-D203 PolarHBondContact NE2-OD2 3.45Å; R87-D203 IonicContact CZ-OD1 3.58Å; R87-D203 IonicContact NE-OD1 3.71Å; R87-D203 PolarHBondContact NE-OD1 3.24Å; R87-D203 IonicContact NE-OD2 3.64Å; R87-D203 IonicContact NH2-OD1 3.38Å; R87-D203 PolarHBondContact NH2-OD1 2.84Å; Y91-D203 WeakPolarHBondContact CE1-OD1 3.48Å; Y91-D203 PolarHBondContact OH-OD1 3.08Å; Y91-D203 PolarHBondContact OH-OD2 3.33Å; A199-D203 WeakPolarHBondContact O-CB 3.48Å; A199-D203 VanDerWaalsContact O-CG 3.22Å; A199-D203 PolarHBondContact O-N 3.49Å; V200-D203 PolarHBondContact O-N 2.85Å; D203-H205 VanDerWaalsContact C-N 3.27Å; D203-H205 PolarHBondContact O-N 3.4Å; D203-L206 PolarHBondContact O-N 3.22Å; D203-M207 HydrophobicContact CB-CE 4.19Å; D203-M207 HydrophobicContact CB-SD 4.19Å; D203-M207 WeakPolarHBondContact O-CB 3.43Å; D203-M207 WeakPolarHBondContact O-CG 3.12Å; D203-M207 PolarHBondContact O-N 2.84Å
204D98.8Very high98Very high0 Ų017 Ų170%08%0.082CC..Hα-helixtrans-59.1-41.8173.9-75.7-12.7000110.3R7 R41 V200 K208 I209 Y229R7-D204 IonicContact NE-OD1 2.82Å; R7-D204 PolarHBondContact NE-OD1 3.36Å; R7-D204 IonicContact NE-OD2 3.44Å; R41-D204 IonicContact CZ-OD1 3.38Å; R41-D204 VanDerWaalsContact CZ-OD1 3.23Å; R41-D204 IonicContact NH1-OD1 3.64Å; R41-D204 PolarHBondContact NH1-OD1 3.33Å; R41-D204 IonicContact NH2-OD1 3.57Å; R41-D204 PolarHBondContact NH2-OD1 2.9Å; V200-D204 WeakPolarHBondContact CG1-OD2 3.37Å; V200-D204 VanDerWaalsContact O-CB 3.25Å; V200-D204 WeakPolarHBondContact O-CB 3.46Å; V200-D204 VanDerWaalsContact O-CG 3.27Å; V200-D204 PolarHBondContact O-N 3.04Å; D204-K208 PolarHBondContact O-N 3.14Å; D204-I209 HydrophobicContact CB-CB 4.05Å; D204-I209 HydrophobicContact CB-CG1 4.18Å; D204-I209 WeakPolarHBondContact O-CB 3.36Å; D204-I209 PolarHBondContact O-N 3.25Å; D204-Y229 WeakPolarHBondContact CB-OH 3.26Å
205H98.5Very high97.8Very high31 Ų3117.3 Ų17.314%0.1449%0.085CC..Hα-helixtrans-65.3-49.3174.7178.873000113.3A201 V202 D203 K208 Y229 W234A201-H205 WeakPolarHBondContact O-CB 3.31Å; A201-H205 PolarHBondContact O-N 3.44Å; A201-H205 VanDerWaalsContact O-N 3.11Å; V202-H205 PolarHBondContact O-N 3.01Å; D203-H205 VanDerWaalsContact C-N 3.27Å; D203-H205 PolarHBondContact O-N 3.4Å; H205-K208 PolarHBondContact O-N 3Å; H205-Y229 HydrophobicContact CB-CE1 3.95Å; H205-W234 HydrophobicContact CB-CD2 4.04Å; H205-W234 HydrophobicContact CB-CE3 3.64Å; H205-W234 HydrophobicContact CB-CZ3 4.02Å; H205-W234 AromaticContact CD2-CD2 3.54Å; H205-W234 AromaticContact CD2-CE2 3.5Å; H205-W234 VanDerWaalsContact CD2-CE2 3.5Å; H205-W234 AromaticContact CD2-CE3 3.99Å; H205-W234 AromaticContact CD2-CG 3.91Å; H205-W234 AromaticContact CD2-CZ2 3.96Å; H205-W234 AromaticContact CD2-NE1 3.8Å; H205-W234 AromaticContact CE1-CD1 3.47Å; H205-W234 VanDerWaalsContact CE1-CD1 3.47Å; H205-W234 AromaticContact CE1-CD2 3.91Å; H205-W234 AromaticContact CE1-CG 3.43Å; H205-W234 VanDerWaalsContact CE1-CG 3.43Å; H205-W234 AromaticContact CE1-NE1 3.91Å; H205-W234 AromaticContact CG-CD2 3.45Å; H205-W234 VanDerWaalsContact CG-CD2 3.45Å; H205-W234 AromaticContact CG-CE2 3.94Å; H205-W234 AromaticContact CG-CE3 3.61Å; H205-W234 AromaticContact CG-CG 3.73Å; H205-W234 AromaticContact ND1-CD1 3.96Å; H205-W234 AromaticContact ND1-CD2 3.7Å; H205-W234 AromaticContact ND1-CG 3.43Å; H205-W234 AromaticContact NE2-CD1 3.59Å; H205-W234 AromaticContact NE2-CD2 3.89Å; H205-W234 AromaticContact NE2-CE2 3.77Å; H205-W234 AromaticContact NE2-CG 3.79Å; H205-W234 AromaticContact NE2-NE1 3.53Å
206L98.2Very high97.7Very high55 Ų5517.5 Ų17.529%0.2889%0.085SC..Hα-helixtrans-72.3-34.3-174.3-68.7179.3000112.4Y79 V90 V202 D203 K208Y79-L206 WeakPolarHBondContact CD1-O 3.42Å; V90-L206 HydrophobicContact CG1-CD1 3.19Å; V202-L206 HydrophobicContact CG1-CD1 3.67Å; V202-L206 HydrophobicContact CG1-CG 4.31Å; V202-L206 WeakPolarHBondContact O-CB 3.41Å; V202-L206 VanDerWaalsContact O-CG 3.29Å; V202-L206 WeakPolarHBondContact O-CG 3.41Å; V202-L206 PolarHBondContact O-N 2.82Å; D203-L206 PolarHBondContact O-N 3.22Å; L206-K208 PolarHBondContact O-N 3.38Å
207M98.3Very high97.4Very high0 Ų018.8 Ų18.80%010%0.095CC..THydrogen-bonded Turntrans-81.95.1173.6-59.5173.3176.900112.9R5 R41 Y82 D203 I209R5-M207 PolarHBondContact NE-O 3.45Å; R5-M207 PolarHBondContact NH2-O 3.26Å; R41-M207 HydrophobicContact CG-CE 4.16Å; R41-M207 HydrophobicContact CG-SD 4.4Å; Y82-M207 HydrophobicContact CD1-CE 3.44Å; Y82-M207 VanDerWaalsContact CD1-CE 3.44Å; Y82-M207 HydrophobicContact CD1-SD 3.74Å; Y82-M207 HydrophobicContact CE1-CE 3.64Å; Y82-M207 HydrophobicContact CE1-CG 4.08Å; Y82-M207 HydrophobicContact CE1-SD 3.55Å; Y82-M207 VanDerWaalsContact CE1-SD 3.55Å; Y82-M207 HydrophobicContact CG-CE 4.36Å; D203-M207 HydrophobicContact CB-CE 4.19Å; D203-M207 HydrophobicContact CB-SD 4.19Å; D203-M207 WeakPolarHBondContact O-CB 3.43Å; D203-M207 WeakPolarHBondContact O-CG 3.12Å; D203-M207 PolarHBondContact O-N 2.84Å; M207-I209 VanDerWaalsContact C-N 3.27Å; M207-I209 HydrophobicContact CB-CD1 4.36Å; M207-I209 HydrophobicContact CB-CG1 4.28Å; M207-I209 PolarHBondContact O-N 3.02Å
208K97.9Very high97.3Very high97 Ų9720.6 Ų20.642%0.42210%0.103SC..THydrogen-bonded Turntrans57.537175.7-52.4-61.9170.1-159.60113.3R5 Y79 D204 H205 L206 T210R5-K208 WeakPolarHBondContact CB-O 3.45Å; Y79-K208 HydrophobicContact CE1-CG 3.94Å; D204-K208 PolarHBondContact O-N 3.14Å; H205-K208 PolarHBondContact O-N 3Å; L206-K208 PolarHBondContact O-N 3.38Å; K208-T210 PolarHBondContact O-N 3.06Å
209I98.6Very high97.2Very high12 Ų1222.1 Ų22.16%0.06211%0.111CC..  trans-63.8126.6175.3-59.7-54.2000108.9R5 R7 I39 D204 M207 H211 V212R5-I209 HydrophobicContact CB-CD1 4.48Å; R5-I209 WeakPolarHBondContact O-CA 3.31Å; R7-I209 HydrophobicContact CB-CD1 3.92Å; R7-I209 HydrophobicContact CG-CD1 4.41Å; I39-I209 HydrophobicContact CD1-CD1 4.18Å; D204-I209 HydrophobicContact CB-CB 4.05Å; D204-I209 HydrophobicContact CB-CG1 4.18Å; D204-I209 WeakPolarHBondContact O-CB 3.36Å; D204-I209 PolarHBondContact O-N 3.25Å; M207-I209 VanDerWaalsContact C-N 3.27Å; M207-I209 HydrophobicContact CB-CD1 4.36Å; M207-I209 HydrophobicContact CB-CG1 4.28Å; M207-I209 PolarHBondContact O-N 3.02Å; I209-H211 VanDerWaalsContact CG2-O 3.27Å; I209-H211 WeakPolarHBondContact CG2-O 3.33Å; I209-V212 HydrophobicContact CG2-CG2 3.92Å
210T98.3Very high97Very high22 Ų2225.3 Ų25.314%0.13514%0.137CC..  trans-96.5-33.2179.762.80000111.9K3 R5 K208 P237 T238K3-T210 WeakPolarHBondContact O-CG2 3.49Å; R5-T210 PolarHBondContact N-OG1 2.65Å; R5-T210 VanDerWaalsContact N-OG1 3.09Å; R5-T210 PolarHBondContact O-N 2.74Å; R5-T210 PolarHBondContact O-OG1 2.74Å; K208-T210 PolarHBondContact O-N 3.06Å; T210-P237 WeakPolarHBondContact O-CB 3.45Å; T210-T238 PolarHBondContact O-N 3.4Å
211H98.4Very high96.9Very high29 Ų2927.1 Ų27.113%0.13415%0.147CC..EExtended strand (participates in β ladder)trans-131.2132.5178.9-59.467.3000111.1I4 R5 V6 F30 I209 L213 T238I4-H211 WeakPolarHBondContact CD1-CE1 3.15Å; R5-H211 PolarHBondContact O-N 3.49Å; V6-H211 HydrophobicContact CG1-CB 3.73Å; V6-H211 WeakPolarHBondContact CG1-O 3.48Å; F30-H211 HydrophobicContact CE1-CB 3.91Å; F30-H211 AromaticContact CE1-CD2 3.92Å; F30-H211 AromaticContact CE1-CG 3.6Å; F30-H211 AromaticContact CE1-ND1 3.83Å; F30-H211 AromaticContact CZ-CD2 3.77Å; F30-H211 AromaticContact CZ-CG 3.94Å; F30-H211 AromaticContact CZ-NE2 3.98Å; I209-H211 VanDerWaalsContact CG2-O 3.27Å; I209-H211 WeakPolarHBondContact CG2-O 3.33Å; H211-L213 HydrophobicContact CB-CD2 4.45Å; H211-T238 CarbonylContact C-O 3.52Å; H211-T238 VanDerWaalsContact CA-O 3.3Å; H211-T238 WeakPolarHBondContact CA-O 3.14Å; H211-T238 VanDerWaalsContact CD2-CB 3.43Å; H211-T238 WeakPolarHBondContact CD2-CB 3.47Å
212V98.4Very high96.8Very high0 Ų027.1 Ų27.10%015%0.147CC..EExtended strand (participates in β ladder)trans-108.693.6177.7175.30000108.3I209 R214 P237 T238 F239 G240I209-V212 HydrophobicContact CG2-CG2 3.92Å; V212-R214 HydrophobicContact CG1-CG 4.27Å; V212-P237 HydrophobicContact CG2-CB 4.06Å; V212-P237 HydrophobicContact CG2-CG 3.77Å; V212-T238 PolarHBondContact N-O 2.84Å; V212-F239 HydrophobicContact CB-CD1 3.7Å; V212-F239 HydrophobicContact CB-CE1 3.84Å; V212-F239 HydrophobicContact CB-CG 4.45Å; V212-F239 HydrophobicContact CG1-CD1 3.77Å; V212-F239 HydrophobicContact CG1-CE1 3.82Å; V212-F239 HydrophobicContact CG2-CD1 4.43Å; V212-F239 HydrophobicContact CG2-CE1 4.11Å; V212-G240 PolarHBondContact O-N 2.75Å
213L97.3Very high96.7Very high1 Ų127.2 Ų27.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-97116.6176-48-176.8000109.6N27 F30 M169 H211 G240 M242N27-L213 PolarHBondContact ND2-O 2.81Å; F30-L213 HydrophobicContact CB-CD1 3.88Å; F30-L213 HydrophobicContact CD1-CD1 4.07Å; F30-L213 HydrophobicContact CG-CD1 3.93Å; M169-L213 HydrophobicContact CE-CD2 4.28Å; M169-L213 HydrophobicContact CG-CD2 4.36Å; M169-L213 HydrophobicContact SD-CD2 3.33Å; M169-L213 WeakPolarHBondContact SD-CD2 3.47Å; H211-L213 HydrophobicContact CB-CD2 4.45Å; L213-G240 WeakPolarHBondContact CA-O 3.44Å; L213-M242 HydrophobicContact CB-CE 4.26Å; L213-M242 HydrophobicContact CB-SD 3.92Å
214R96.7Very high96.7Very high7 Ų729.5 Ų29.53%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-152.8171.8-176.162.6-175.5-179.2-162.5-1112.8V212 H218 T222 Q225 G240 H241 M242V212-R214 HydrophobicContact CG1-CG 4.27Å; R214-H218 HydrophobicContact CG-CB 4.02Å; R214-T222 PolarHBondContact NH2-OG1 3.39Å; R214-Q225 VanDerWaalsContact CZ-OE1 3.25Å; R214-G240 PolarHBondContact N-O 3.06Å; R214-H241 PolarHBondContact NE-NE2 2.9Å; R214-H241 CarbonylContact O-C 3.54Å; R214-H241 VanDerWaalsContact O-CA 3.29Å; R214-H241 WeakPolarHBondContact O-CA 3.04Å; R214-M242 PolarHBondContact N-SD 2.83Å; R214-M242 VanDerWaalsContact N-SD 3.39Å; R214-M242 PolarHBondContact O-N 3.32Å
215G93.6Very high96.6Very high7 Ų729.5 Ų29.57%0.07216%0.157CC..EExtended strand (participates in β ladder)trans-62.7147.4175.800000112.9D217 H218 H241 M242G215-D217 VanDerWaalsContact C-OD1 3.32Å; G215-D217 WeakPolarHBondContact CA-OD1 3.36Å; G215-D217 PolarHBondContact O-N 3.3Å; G215-H218 WeakPolarHBondContact O-CB 3.3Å; G215-H218 PolarHBondContact O-N 2.92Å; G215-H241 PolarHBondContact O-CD2 2.85Å; G215-M242 CarbonylContact C-O 3.48Å; G215-M242 WeakPolarHBondContact CA-O 3.45Å
216D92.8Very high96.6Very high36 Ų3628 Ų2819%0.19315%0.151CC..G310 helixtrans-70.1-10-179.265.7-3.6000114.6K171 H218 I219 H241 M242 T243 L244K171-D216 IonicContact NZ-OD2 3.2Å; K171-D216 PolarHBondContact NZ-OD2 3.41Å; D216-H218 PolarHBondContact O-N 3.43Å; D216-I219 HydrophobicContact CB-CD1 3.68Å; D216-I219 HydrophobicContact CB-CG1 4.15Å; D216-I219 WeakPolarHBondContact O-CB 3.34Å; D216-I219 WeakPolarHBondContact O-CG1 3.49Å; D216-I219 PolarHBondContact O-N 3.15Å; D216-I219 VanDerWaalsContact O-N 3.09Å; D216-H241 HydrophobicContact CB-CB 3.96Å; D216-M242 WeakPolarHBondContact CB-O 3.49Å; D216-M242 PolarHBondContact N-O 3.03Å; D216-T243 WeakPolarHBondContact OD2-CA 3.24Å; D216-L244 WeakPolarHBondContact OD1-CD2 3.48Å; D216-L244 WeakPolarHBondContact OD1-CG 3.11Å; D216-L244 PolarHBondContact OD1-N 3.02Å
217D91.4Very high96.6Very high80 Ų8025.5 Ų25.543%0.42814%0.138SC..G310 helixtrans-63.6-15163.653.2-15.9000113.5G215 L244 K253G215-D217 VanDerWaalsContact C-OD1 3.32Å; G215-D217 WeakPolarHBondContact CA-OD1 3.36Å; G215-D217 PolarHBondContact O-N 3.3Å; D217-L244 HydrophobicContact CB-CD2 4.17Å; D217-K253 IonicContact OD2-NZ 2.72Å; D217-K253 PolarHBondContact OD2-NZ 3.47Å
218H95.1Very high96.6Very high56 Ų5625.5 Ų25.526%0.25914%0.138SC..G310 helixtrans-92.60172.4-66-90.4000114.7Y196 R214 G215 D216 A220 N221 T222Y196-H218 AromaticContact CZ-CE1 3.97Å; Y196-H218 AromaticContact CZ-ND1 3.69Å; Y196-H218 PolarHBondContact OH-CE1 2.88Å; Y196-H218 PolarHBondContact OH-ND1 2.75Å; R214-H218 HydrophobicContact CG-CB 4.02Å; G215-H218 WeakPolarHBondContact O-CB 3.3Å; G215-H218 PolarHBondContact O-N 2.92Å; D216-H218 PolarHBondContact O-N 3.43Å; H218-A220 VanDerWaalsContact C-N 3.26Å; H218-A220 PolarHBondContact O-N 3.15Å; H218-N221 VanDerWaalsContact O-CB 3.32Å; H218-N221 WeakPolarHBondContact O-CB 3.43Å; H218-N221 PolarHBondContact O-N 2.77Å; H218-T222 PolarHBondContact O-N 3.17Å; H218-T222 PolarHBondContact O-OG1 3.46Å
219I95.5Very high96.6Very high31 Ų3121 Ų2116%0.15912%0.118CC..G310 helixtrans-55.9-43.6179-74.5175000111.2K171 I174 F176 D216 N221 T222 P223 H241K171-I219 HydrophobicContact CG-CD1 4.28Å; I174-I219 HydrophobicContact CD1-CD1 4.21Å; I174-I219 HydrophobicContact CD1-CG2 4.31Å; F176-I219 HydrophobicContact CE2-CG2 3.98Å; F176-I219 HydrophobicContact CZ-CG2 3.61Å; D216-I219 HydrophobicContact CB-CD1 3.68Å; D216-I219 HydrophobicContact CB-CG1 4.15Å; D216-I219 WeakPolarHBondContact O-CB 3.34Å; D216-I219 WeakPolarHBondContact O-CG1 3.49Å; D216-I219 PolarHBondContact O-N 3.15Å; D216-I219 VanDerWaalsContact O-N 3.09Å; I219-N221 PolarHBondContact O-N 3.42Å; I219-N221 VanDerWaalsContact O-N 3.12Å; I219-T222 WeakPolarHBondContact O-CB 3.47Å; I219-T222 PolarHBondContact O-N 2.9Å; I219-T222 PolarHBondContact O-OG1 3.47Å; I219-P223 VanDerWaalsContact O-CD 3.28Å; I219-P223 WeakPolarHBondContact O-CD 3.39Å; I219-H241 HydrophobicContact CD1-CB 3.81Å; I219-H241 HydrophobicContact CG1-CB 3.58Å; I219-H241 VanDerWaalsContact CG1-CD2 3.41Å; I219-H241 WeakPolarHBondContact CG1-CD2 3.38Å
220A93.9Very high96.6Very high67 Ų6723.5 Ų23.555%0.55413%0.131SC*.G310 helixtrans-65.7-14.9-179.700000113.9H218H218-A220 VanDerWaalsContact C-N 3.26Å; H218-A220 PolarHBondContact O-N 3.15Å
221N96.8Very high96.6Very high39 Ų3923.8 Ų23.821%0.20914%0.136CC..G310 helixtrans-85.9-25.7174.4-70.1-49.4000112.5Y196 N197 H218 I219 K224 Q225Y196-N221 HydrophobicContact CE1-CB 4.15Å; N197-N221 PolarHBondContact ND2-OD1 3.29Å; N197-N221 VanDerWaalsContact OD1-CB 3.3Å; N197-N221 WeakPolarHBondContact OD1-CB 3.43Å; N197-N221 PolarHBondContact OD1-OD1 3.11Å; H218-N221 VanDerWaalsContact O-CB 3.32Å; H218-N221 WeakPolarHBondContact O-CB 3.43Å; H218-N221 PolarHBondContact O-N 2.77Å; I219-N221 PolarHBondContact O-N 3.42Å; I219-N221 VanDerWaalsContact O-N 3.12Å; N221-K224 PolarHBondContact O-N 3.27Å; N221-Q225 WeakPolarHBondContact O-CG 3.39Å; N221-Q225 PolarHBondContact O-N 3.39Å; N221-Q225 VanDerWaalsContact O-N 3.09Å
222T97.6Very high96.6Very high0 Ų023.6 Ų23.60%014%0.135CC..Hα-helixtrans-56.4-46.5-176.1-500000112.8F166 R214 H218 I219 K224 Q225 L226 F239 H241F166-T222 HydrophobicContact CD1-CG2 4.08Å; F166-T222 HydrophobicContact CD2-CG2 4.31Å; F166-T222 HydrophobicContact CE1-CG2 3.71Å; F166-T222 HydrophobicContact CE2-CG2 3.96Å; F166-T222 HydrophobicContact CG-CG2 4.37Å; F166-T222 HydrophobicContact CZ-CG2 3.64Å; R214-T222 PolarHBondContact NH2-OG1 3.39Å; H218-T222 PolarHBondContact O-N 3.17Å; H218-T222 PolarHBondContact O-OG1 3.46Å; I219-T222 WeakPolarHBondContact O-CB 3.47Å; I219-T222 PolarHBondContact O-N 2.9Å; I219-T222 PolarHBondContact O-OG1 3.47Å; T222-K224 VanDerWaalsContact C-N 3.3Å; T222-K224 PolarHBondContact O-N 2.85Å; T222-Q225 WeakPolarHBondContact O-CB 3.36Å; T222-Q225 PolarHBondContact O-N 2.92Å; T222-L226 HydrophobicContact CG2-CD1 4.35Å; T222-L226 HydrophobicContact CG2-CG 4.22Å; T222-L226 WeakPolarHBondContact O-CG 3.47Å; T222-L226 PolarHBondContact O-N 3.39Å; T222-F239 HydrophobicContact CG2-CD1 3.83Å; T222-F239 HydrophobicContact CG2-CD2 4.07Å; T222-F239 HydrophobicContact CG2-CE1 3.81Å; T222-F239 HydrophobicContact CG2-CE2 4.05Å; T222-F239 HydrophobicContact CG2-CG 3.96Å; T222-F239 HydrophobicContact CG2-CZ 3.92Å; T222-H241 PolarHBondContact OG1-CE1 3.19Å; T222-H241 PolarHBondContact OG1-NE2 2.87Å; T222-H241 VanDerWaalsContact OG1-NE2 3.17Å
223P96.3Very high96.6Very high2 Ų226.9 Ų26.91%0.01317%0.168CC..Hα-helixtrans-58.9-40.7178.4-25.936000113.1F164 F176 V181 I219 Q225 L226 M227F164-P223 HydrophobicContact CB-CB 4.48Å; F176-P223 HydrophobicContact CB-CB 4.08Å; F176-P223 HydrophobicContact CB-CG 3.63Å; F176-P223 HydrophobicContact CD1-CG 4.01Å; F176-P223 HydrophobicContact CD2-CB 4.45Å; F176-P223 HydrophobicContact CD2-CG 3.26Å; F176-P223 HydrophobicContact CE2-CG 3.8Å; F176-P223 HydrophobicContact CG-CB 4.33Å; F176-P223 HydrophobicContact CG-CG 3.36Å; F176-P223 HydrophobicContact CZ-CG 4.43Å; V181-P223 HydrophobicContact CG1-CB 4.33Å; I219-P223 VanDerWaalsContact O-CD 3.28Å; I219-P223 WeakPolarHBondContact O-CD 3.39Å; P223-Q225 VanDerWaalsContact C-N 3.29Å; P223-Q225 PolarHBondContact O-N 3.44Å; P223-L226 PolarHBondContact O-N 3.36Å; P223-M227 VanDerWaalsContact O-CG 3.29Å; P223-M227 WeakPolarHBondContact O-CG 3.49Å; P223-M227 PolarHBondContact O-N 2.9Å
224K97.4Very high96.6Very high47 Ų4728.8 Ų28.820%0.20418%0.176CC..Hα-helixtrans-64-37.9177.2-64.5-178.9179.5178.30111.2V181 F185 N197 N221 T222 M227 I228V181-K224 VanDerWaalsContact O-CE 3.25Å; V181-K224 WeakPolarHBondContact O-CE 3.42Å; V181-K224 PolarHBondContact O-NZ 2.8Å; F185-K224 HydrophobicContact CD1-CD 4.14Å; F185-K224 HydrophobicContact CD1-CG 4.12Å; F185-K224 HydrophobicContact CE1-CB 4.05Å; F185-K224 HydrophobicContact CE1-CD 4.43Å; F185-K224 HydrophobicContact CE1-CG 3.94Å; F185-K224 HydrophobicContact CE2-CB 4.36Å; F185-K224 HydrophobicContact CG-CD 4.25Å; F185-K224 HydrophobicContact CZ-CB 3.93Å; F185-K224 HydrophobicContact CZ-CG 4.32Å; N197-K224 HydrophobicContact CB-CB 4.22Å; N221-K224 PolarHBondContact O-N 3.27Å; T222-K224 VanDerWaalsContact C-N 3.3Å; T222-K224 PolarHBondContact O-N 2.85Å; K224-M227 WeakPolarHBondContact O-CB 3.43Å; K224-I228 WeakPolarHBondContact O-CG1 3.48Å; K224-I228 PolarHBondContact O-N 3.28Å
225Q98.2Very high96.6Very high0 Ų033.3 Ų33.30%021%0.206CC..Hα-helixtrans-70.1-42.6176.3-66.9167.76.400111.3N197 A201 R214 N221 T222 P223 M227 I228 Y229N197-Q225 HydrophobicContact CB-CG 4.3Å; N197-Q225 PolarHBondContact OD1-NE2 2.96Å; N197-Q225 VanDerWaalsContact OD1-NE2 3.16Å; A201-Q225 HydrophobicContact CB-CB 4.28Å; A201-Q225 HydrophobicContact CB-CG 4.47Å; R214-Q225 VanDerWaalsContact CZ-OE1 3.25Å; N221-Q225 WeakPolarHBondContact O-CG 3.39Å; N221-Q225 PolarHBondContact O-N 3.39Å; N221-Q225 VanDerWaalsContact O-N 3.09Å; T222-Q225 WeakPolarHBondContact O-CB 3.36Å; T222-Q225 PolarHBondContact O-N 2.92Å; P223-Q225 VanDerWaalsContact C-N 3.29Å; P223-Q225 PolarHBondContact O-N 3.44Å; Q225-M227 VanDerWaalsContact C-N 3.28Å; Q225-M227 PolarHBondContact O-N 3.48Å; Q225-I228 WeakPolarHBondContact O-CA 3.08Å; Q225-I228 WeakPolarHBondContact O-CB 3.4Å; Q225-I228 PolarHBondContact O-N 2.85Å; Q225-Y229 WeakPolarHBondContact O-CD2 3.18Å; Q225-Y229 PolarHBondContact O-N 3.45Å
226L98.1Very high96.8Very high0 Ų037.9 Ų37.90%022%0.221CC..Hα-helixtrans-58.1-40.3174.7-66-177.6000111.9F164 F166 T222 P223 I228 Y229 D230 R236 F239F164-L226 HydrophobicContact CB-CD1 4.39Å; F164-L226 HydrophobicContact CD1-CB 3.84Å; F164-L226 HydrophobicContact CE1-CB 4.45Å; F166-L226 HydrophobicContact CB-CD1 4.14Å; F166-L226 HydrophobicContact CD1-CD1 3.81Å; F166-L226 HydrophobicContact CG-CD1 4.25Å; T222-L226 HydrophobicContact CG2-CD1 4.35Å; T222-L226 HydrophobicContact CG2-CG 4.22Å; T222-L226 WeakPolarHBondContact O-CG 3.47Å; T222-L226 PolarHBondContact O-N 3.39Å; P223-L226 PolarHBondContact O-N 3.36Å; L226-I228 VanDerWaalsContact C-N 3.26Å; L226-I228 PolarHBondContact O-N 2.9Å; L226-Y229 PolarHBondContact O-N 3.44Å; L226-D230 WeakPolarHBondContact O-CB 3.31Å; L226-D230 VanDerWaalsContact O-CG 3.26Å; L226-D230 PolarHBondContact O-N 3.18Å; L226-R236 HydrophobicContact CD2-CB 4.16Å; L226-R236 HydrophobicContact CD2-CG 3.8Å; L226-F239 HydrophobicContact CD2-CE2 3.77Å; L226-F239 HydrophobicContact CD2-CZ 4.29Å
227M98Very high97Very high3 Ų336.9 Ų36.92%0.01522%0.217CC..Hα-helixtrans-57.4-38.8173.1-71167-174.500112.4F156 V158 F164 V181 F185 P223 K224 Q225 A231F156-M227 HydrophobicContact CE1-CB 3.67Å; F156-M227 HydrophobicContact CE1-CG 4.37Å; F156-M227 HydrophobicContact CE1-SD 4.4Å; F156-M227 HydrophobicContact CZ-CB 3.94Å; V158-M227 HydrophobicContact CG1-CE 3.99Å; V158-M227 HydrophobicContact CG1-SD 4.26Å; V158-M227 HydrophobicContact CG2-SD 4.18Å; F164-M227 HydrophobicContact CD1-CG 4.22Å; F164-M227 HydrophobicContact CD2-CE 3.73Å; F164-M227 HydrophobicContact CD2-CG 4.41Å; F164-M227 HydrophobicContact CE1-CB 4.26Å; F164-M227 HydrophobicContact CE1-CG 3.52Å; F164-M227 HydrophobicContact CE2-CE 3.45Å; F164-M227 VanDerWaalsContact CE2-CE 3.45Å; F164-M227 HydrophobicContact CE2-CG 3.76Å; F164-M227 HydrophobicContact CE2-SD 4.47Å; F164-M227 HydrophobicContact CZ-CB 4.29Å; F164-M227 HydrophobicContact CZ-CE 4.02Å; F164-M227 HydrophobicContact CZ-CG 3.28Å; F164-M227 HydrophobicContact CZ-SD 4.5Å; V181-M227 HydrophobicContact CG1-CE 3.91Å; V181-M227 HydrophobicContact CG2-CE 4Å; V181-M227 HydrophobicContact CG2-SD 4.43Å; F185-M227 HydrophobicContact CE1-SD 3.91Å; P223-M227 VanDerWaalsContact O-CG 3.29Å; P223-M227 WeakPolarHBondContact O-CG 3.49Å; P223-M227 PolarHBondContact O-N 2.9Å; K224-M227 WeakPolarHBondContact O-CB 3.43Å; Q225-M227 VanDerWaalsContact C-N 3.28Å; Q225-M227 PolarHBondContact O-N 3.48Å; M227-A231 WeakPolarHBondContact O-CB 3.48Å; M227-A231 PolarHBondContact O-N 2.72Å
228I98.6Very high97.3Very high0 Ų035.9 Ų35.90%021%0.213CC..Hα-helixtrans-68.3-45.9175.6-57.6-51.2000110.7F156 F185 I187 F198 A201 K224 Q225 L226 D230 A231 F232 W234F156-I228 HydrophobicContact CD1-CD1 4.47Å; F156-I228 HydrophobicContact CD2-CD1 3.49Å; F156-I228 VanDerWaalsContact CD2-CD1 3.49Å; F156-I228 HydrophobicContact CE2-CD1 3.64Å; F156-I228 HydrophobicContact CG-CD1 3.94Å; F156-I228 HydrophobicContact CZ-CD1 4.21Å; F185-I228 HydrophobicContact CE2-CD1 4.26Å; F185-I228 HydrophobicContact CZ-CD1 4.16Å; I187-I228 HydrophobicContact CG2-CD1 4.34Å; F198-I228 HydrophobicContact CD2-CD1 4.13Å; F198-I228 HydrophobicContact CD2-CG1 4.42Å; F198-I228 HydrophobicContact CD2-CG2 4.13Å; F198-I228 HydrophobicContact CE2-CG2 4.36Å; A201-I228 HydrophobicContact CB-CB 3.86Å; A201-I228 HydrophobicContact CB-CG1 4.46Å; A201-I228 HydrophobicContact CB-CG2 3.83Å; K224-I228 WeakPolarHBondContact O-CG1 3.48Å; K224-I228 PolarHBondContact O-N 3.28Å; Q225-I228 WeakPolarHBondContact O-CA 3.08Å; Q225-I228 WeakPolarHBondContact O-CB 3.4Å; Q225-I228 PolarHBondContact O-N 2.85Å; L226-I228 VanDerWaalsContact C-N 3.26Å; L226-I228 PolarHBondContact O-N 2.9Å; I228-D230 VanDerWaalsContact C-N 3.34Å; I228-D230 PolarHBondContact O-N 3.28Å; I228-A231 PolarHBondContact O-N 3.07Å; I228-F232 HydrophobicContact CG2-CD2 3.94Å; I228-F232 HydrophobicContact CG2-CE2 3.85Å; I228-F232 VanDerWaalsContact O-CD2 3.29Å; I228-F232 WeakPolarHBondContact O-CD2 3.2Å; I228-F232 PolarHBondContact O-N 3.38Å; I228-W234 HydrophobicContact CG2-CZ3 4.45Å
229Y98.6Very high97.5Very high2 Ų233.4 Ų33.41%0.00820%0.202CC..Hα-helixtrans-55.2-49.8175.2-79.7-80000111.5A201 D204 H205 Q225 L226 A231 F232 G233 W234 P235 P237A201-Y229 HydrophobicContact CB-CD2 4.3Å; A201-Y229 HydrophobicContact CB-CE2 3.95Å; A201-Y229 PolarHBondContact O-OH 3.06Å; D204-Y229 WeakPolarHBondContact CB-OH 3.26Å; H205-Y229 HydrophobicContact CB-CE1 3.95Å; Q225-Y229 WeakPolarHBondContact O-CD2 3.18Å; Q225-Y229 PolarHBondContact O-N 3.45Å; L226-Y229 PolarHBondContact O-N 3.44Å; Y229-A231 PolarHBondContact O-N 3.3Å; Y229-F232 PolarHBondContact O-N 3.09Å; Y229-G233 PolarHBondContact O-N 3.23Å; Y229-W234 HydrophobicContact CD1-CB 3.75Å; Y229-W234 HydrophobicContact CD1-CE3 4.21Å; Y229-W234 PolarHBondContact O-N 3.05Å; Y229-P235 VanDerWaalsContact CD1-O 3.3Å; Y229-P235 WeakPolarHBondContact CD1-O 3.1Å; Y229-P235 WeakPolarHBondContact CE1-O 3.43Å; Y229-P237 HydrophobicContact CE2-CG 4.3Å; Y229-P237 VanDerWaalsContact CZ-CD 3.43Å
230D97.6Very high97.5Very high64 Ų6431.9 Ų31.934%0.34219%0.194SC..Hα-helixtrans-64.9-39.8-178.7-67.8-3.6000112.1F164 L226 I228 F232 G233 R236F164-D230 VanDerWaalsContact CE1-OD2 3.25Å; F164-D230 WeakPolarHBondContact CE1-OD2 3.3Å; L226-D230 WeakPolarHBondContact O-CB 3.31Å; L226-D230 VanDerWaalsContact O-CG 3.26Å; L226-D230 PolarHBondContact O-N 3.18Å; I228-D230 VanDerWaalsContact C-N 3.34Å; I228-D230 PolarHBondContact O-N 3.28Å; D230-F232 PolarHBondContact O-N 2.85Å; D230-G233 PolarHBondContact O-N 3.38Å; D230-R236 IonicContact OD1-CZ 3.06Å; D230-R236 VanDerWaalsContact OD1-CZ 3.32Å; D230-R236 IonicContact OD1-NE 3.27Å; D230-R236 PolarHBondContact OD1-NE 3.4Å; D230-R236 IonicContact OD1-NH2 2.74Å; D230-R236 PolarHBondContact OD1-NH2 2.75Å; D230-R236 IonicContact OD2-CZ 3.65Å; D230-R236 IonicContact OD2-NE 3.99Å; D230-R236 IonicContact OD2-NH2 3.93Å; D230-R236 PolarHBondContact OD2-NH2 2.88Å
231A98Very high97.7Very high29 Ų2928.7 Ų28.724%0.2417%0.168CC..Hα-helixtrans-60.1-32.6178.400000113.1L98 L103 F156 M227 I228 Y229L98-A231 HydrophobicContact CD2-CB 4.01Å; L103-A231 HydrophobicContact CD1-CB 4.03Å; F156-A231 HydrophobicContact CE2-CB 3.72Å; F156-A231 HydrophobicContact CZ-CB 3.95Å; M227-A231 WeakPolarHBondContact O-CB 3.48Å; M227-A231 PolarHBondContact O-N 2.72Å; I228-A231 PolarHBondContact O-N 3.07Å; Y229-A231 PolarHBondContact O-N 3.3Å
232F98.4Very high97.5Very high25 Ų2527.1 Ų27.111%0.1116%0.159CC..THydrogen-bonded Turntrans-95.6-0.3174.7-68.5-70.8000113.7L94 Q97 L98 F198 I228 Y229 D230 W234L94-F232 HydrophobicContact CB-CE1 4.2Å; L94-F232 HydrophobicContact CB-CZ 3.78Å; L94-F232 HydrophobicContact CD2-CD1 4.4Å; L94-F232 HydrophobicContact CD2-CE1 3.86Å; L94-F232 HydrophobicContact CD2-CZ 4.15Å; L94-F232 WeakPolarHBondContact O-CZ 3.06Å; Q97-F232 HydrophobicContact CB-CE1 4.4Å; Q97-F232 HydrophobicContact CG-CE1 4.33Å; L98-F232 HydrophobicContact CD1-CE2 3.91Å; L98-F232 HydrophobicContact CD1-CZ 3.65Å; L98-F232 HydrophobicContact CD2-CE1 3.99Å; L98-F232 HydrophobicContact CD2-CE2 4.11Å; L98-F232 HydrophobicContact CD2-CZ 3.74Å; L98-F232 HydrophobicContact CG-CE1 3.99Å; L98-F232 HydrophobicContact CG-CE2 4.13Å; L98-F232 HydrophobicContact CG-CZ 3.48Å; L98-F232 VanDerWaalsContact CG-CZ 3.48Å; F198-F232 HydrophobicContact CE2-CE2 4.04Å; F198-F232 HydrophobicContact CE2-CZ 4.29Å; I228-F232 HydrophobicContact CG2-CD2 3.94Å; I228-F232 HydrophobicContact CG2-CE2 3.85Å; I228-F232 VanDerWaalsContact O-CD2 3.29Å; I228-F232 WeakPolarHBondContact O-CD2 3.2Å; I228-F232 PolarHBondContact O-N 3.38Å; Y229-F232 PolarHBondContact O-N 3.09Å; D230-F232 PolarHBondContact O-N 2.85Å; F232-W234 HydrophobicContact CB-CD2 3.46Å; F232-W234 VanDerWaalsContact CB-CD2 3.46Å; F232-W234 HydrophobicContact CB-CE3 3.96Å; F232-W234 HydrophobicContact CB-CG 3.81Å; F232-W234 HydrophobicContact CB-CH2 4.13Å; F232-W234 HydrophobicContact CB-CZ2 3.67Å; F232-W234 HydrophobicContact CB-CZ3 4.27Å; F232-W234 HydrophobicContact CD1-CH2 4.38Å; F232-W234 HydrophobicContact CD1-CZ2 4.02Å; F232-W234 HydrophobicContact CD2-CD2 4.31Å; F232-W234 AromaticContact CD2-CE3 3.99Å; F232-W234 HydrophobicContact CD2-CE3 3.99Å; F232-W234 AromaticContact CD2-CH2 3.39Å; F232-W234 HydrophobicContact CD2-CH2 3.39Å; F232-W234 AromaticContact CD2-CZ2 3.76Å; F232-W234 HydrophobicContact CD2-CZ2 3.76Å; F232-W234 AromaticContact CD2-CZ3 3.52Å; F232-W234 HydrophobicContact CD2-CZ3 3.52Å; F232-W234 AromaticContact CE2-CH2 3.79Å; F232-W234 HydrophobicContact CE2-CH2 3.79Å; F232-W234 HydrophobicContact CE2-CZ2 4.38Å; F232-W234 HydrophobicContact CE2-CZ3 4.13Å; F232-W234 HydrophobicContact CG-CD2 4.16Å; F232-W234 AromaticContact CG-CE2 3.77Å; F232-W234 HydrophobicContact CG-CE3 4.31Å; F232-W234 AromaticContact CG-CH2 3.74Å; F232-W234 HydrophobicContact CG-CH2 3.74Å; F232-W234 AromaticContact CG-CZ2 3.56Å; F232-W234 HydrophobicContact CG-CZ2 3.56Å; F232-W234 HydrophobicContact CG-CZ3 4.12Å; F232-W234 HydrophobicContact CZ-CH2 4.44Å; F232-W234 PolarHBondContact O-N 3.39Å
233G97.8Very high97.2Very high68 Ų6827.2 Ų27.270%0.70116%0.16SC*.THydrogen-bonded Turntrans63.928.9-175.200000113.4Y229 D230Y229-G233 PolarHBondContact O-N 3.23Å; D230-G233 PolarHBondContact O-N 3.38Å
234W98.2Very high96.8Very high41 Ų4129.4 Ų29.416%0.15517%0.171CC..PPolyproline II helixtrans-84148.9-179-68-17.6000112.1L94 V202 H205 I228 Y229 F232 R236L94-W234 HydrophobicContact CD1-CH2 4.1Å; L94-W234 HydrophobicContact CD2-CH2 4.34Å; L94-W234 HydrophobicContact CD2-CZ2 4.08Å; V202-W234 HydrophobicContact CG2-CH2 4.2Å; V202-W234 HydrophobicContact CG2-CZ3 4.28Å; H205-W234 HydrophobicContact CB-CD2 4.04Å; H205-W234 HydrophobicContact CB-CE3 3.64Å; H205-W234 HydrophobicContact CB-CZ3 4.02Å; H205-W234 AromaticContact CD2-CD2 3.54Å; H205-W234 AromaticContact CD2-CE2 3.5Å; H205-W234 VanDerWaalsContact CD2-CE2 3.5Å; H205-W234 AromaticContact CD2-CE3 3.99Å; H205-W234 AromaticContact CD2-CG 3.91Å; H205-W234 AromaticContact CD2-CZ2 3.96Å; H205-W234 AromaticContact CD2-NE1 3.8Å; H205-W234 AromaticContact CE1-CD1 3.47Å; H205-W234 VanDerWaalsContact CE1-CD1 3.47Å; H205-W234 AromaticContact CE1-CD2 3.91Å; H205-W234 AromaticContact CE1-CG 3.43Å; H205-W234 VanDerWaalsContact CE1-CG 3.43Å; H205-W234 AromaticContact CE1-NE1 3.91Å; H205-W234 AromaticContact CG-CD2 3.45Å; H205-W234 VanDerWaalsContact CG-CD2 3.45Å; H205-W234 AromaticContact CG-CE2 3.94Å; H205-W234 AromaticContact CG-CE3 3.61Å; H205-W234 AromaticContact CG-CG 3.73Å; H205-W234 AromaticContact ND1-CD1 3.96Å; H205-W234 AromaticContact ND1-CD2 3.7Å; H205-W234 AromaticContact ND1-CG 3.43Å; H205-W234 AromaticContact NE2-CD1 3.59Å; H205-W234 AromaticContact NE2-CD2 3.89Å; H205-W234 AromaticContact NE2-CE2 3.77Å; H205-W234 AromaticContact NE2-CG 3.79Å; H205-W234 AromaticContact NE2-NE1 3.53Å; I228-W234 HydrophobicContact CG2-CZ3 4.45Å; Y229-W234 HydrophobicContact CD1-CB 3.75Å; Y229-W234 HydrophobicContact CD1-CE3 4.21Å; Y229-W234 PolarHBondContact O-N 3.05Å; F232-W234 HydrophobicContact CB-CD2 3.46Å; F232-W234 VanDerWaalsContact CB-CD2 3.46Å; F232-W234 HydrophobicContact CB-CE3 3.96Å; F232-W234 HydrophobicContact CB-CG 3.81Å; F232-W234 HydrophobicContact CB-CH2 4.13Å; F232-W234 HydrophobicContact CB-CZ2 3.67Å; F232-W234 HydrophobicContact CB-CZ3 4.27Å; F232-W234 HydrophobicContact CD1-CH2 4.38Å; F232-W234 HydrophobicContact CD1-CZ2 4.02Å; F232-W234 HydrophobicContact CD2-CD2 4.31Å; F232-W234 AromaticContact CD2-CE3 3.99Å; F232-W234 HydrophobicContact CD2-CE3 3.99Å; F232-W234 AromaticContact CD2-CH2 3.39Å; F232-W234 HydrophobicContact CD2-CH2 3.39Å; F232-W234 AromaticContact CD2-CZ2 3.76Å; F232-W234 HydrophobicContact CD2-CZ2 3.76Å; F232-W234 AromaticContact CD2-CZ3 3.52Å; F232-W234 HydrophobicContact CD2-CZ3 3.52Å; F232-W234 AromaticContact CE2-CH2 3.79Å; F232-W234 HydrophobicContact CE2-CH2 3.79Å; F232-W234 HydrophobicContact CE2-CZ2 4.38Å; F232-W234 HydrophobicContact CE2-CZ3 4.13Å; F232-W234 HydrophobicContact CG-CD2 4.16Å; F232-W234 AromaticContact CG-CE2 3.77Å; F232-W234 HydrophobicContact CG-CE3 4.31Å; F232-W234 AromaticContact CG-CH2 3.74Å; F232-W234 HydrophobicContact CG-CH2 3.74Å; F232-W234 AromaticContact CG-CZ2 3.56Å; F232-W234 HydrophobicContact CG-CZ2 3.56Å; F232-W234 HydrophobicContact CG-CZ3 4.12Å; F232-W234 HydrophobicContact CZ-CH2 4.44Å; F232-W234 PolarHBondContact O-N 3.39Å; W234-R236 PolarHBondContact O-N 2.88Å
235P96.9Very high96.4Very high102 Ų10227.6 Ų27.666%0.66216%0.163SC*.PPolyproline II helixtrans-64.4134.5170.728.6-34.1000110.1Y229Y229-P235 VanDerWaalsContact CD1-O 3.3Å; Y229-P235 WeakPolarHBondContact CD1-O 3.1Å; Y229-P235 WeakPolarHBondContact CE1-O 3.43Å
236R97.1Very high95.8Very high104 Ų10429.7 Ų29.739%0.39217%0.174SC..PPolyproline II helixtrans-76.7135.1175.4-60.4168.2175.3-172.55.8109.4T165 L226 D230 W234T165-R236 PolarHBondContact O-NH1 3.27Å; L226-R236 HydrophobicContact CD2-CB 4.16Å; L226-R236 HydrophobicContact CD2-CG 3.8Å; D230-R236 IonicContact OD1-CZ 3.06Å; D230-R236 VanDerWaalsContact OD1-CZ 3.32Å; D230-R236 IonicContact OD1-NE 3.27Å; D230-R236 PolarHBondContact OD1-NE 3.4Å; D230-R236 IonicContact OD1-NH2 2.74Å; D230-R236 PolarHBondContact OD1-NH2 2.75Å; D230-R236 IonicContact OD2-CZ 3.65Å; D230-R236 IonicContact OD2-NE 3.99Å; D230-R236 IonicContact OD2-NH2 3.93Å; D230-R236 PolarHBondContact OD2-NH2 2.88Å; W234-R236 PolarHBondContact O-N 2.88Å
237P97.8Very high95.1Very high15 Ų1529.7 Ų29.710%0.09717%0.174CC..PPolyproline II helixtrans-71.1164.5170.432-35.2000110.4T210 V212 Y229 F239T210-P237 WeakPolarHBondContact O-CB 3.45Å; V212-P237 HydrophobicContact CG2-CB 4.06Å; V212-P237 HydrophobicContact CG2-CG 3.77Å; Y229-P237 HydrophobicContact CE2-CG 4.3Å; Y229-P237 VanDerWaalsContact CZ-CD 3.43Å; P237-F239 HydrophobicContact CG-CE1 4.49Å; P237-F239 HydrophobicContact CG-CE2 3.79Å; P237-F239 HydrophobicContact CG-CZ 3.75Å; P237-F239 VanDerWaalsContact O-CD2 3.26Å; P237-F239 WeakPolarHBondContact O-CD2 3.43Å; P237-F239 WeakPolarHBondContact O-CE2 3.46Å
238T97.7Very high94.1Very high59 Ų5932.9 Ų32.936%0.36219%0.194SC..EExtended strand (participates in β ladder)trans-73.4138.5167.5-55.90000109.2M169 T210 H211 V212M169-T238 HydrophobicContact CE-CG2 3.99Å; T210-T238 PolarHBondContact O-N 3.4Å; H211-T238 CarbonylContact C-O 3.52Å; H211-T238 VanDerWaalsContact CA-O 3.3Å; H211-T238 WeakPolarHBondContact CA-O 3.14Å; H211-T238 VanDerWaalsContact CD2-CB 3.43Å; H211-T238 WeakPolarHBondContact CD2-CB 3.47Å; V212-T238 PolarHBondContact N-O 2.84Å
239F98.1Very high93Very high3 Ų340.5 Ų40.51%0.01323%0.23CC..EExtended strand (participates in β ladder)trans-109145.1178.1-70.6-91.5000111.2F166 D168 M169 V212 T222 L226 P237 H241F166-F239 HydrophobicContact CD2-CB 4.05Å; F166-F239 HydrophobicContact CD2-CD2 4.35Å; F166-F239 HydrophobicContact CD2-CG 4.44Å; F166-F239 HydrophobicContact CE2-CB 4.04Å; D168-F239 WeakPolarHBondContact CA-O 3.19Å; M169-F239 WeakPolarHBondContact CG-O 3.49Å; M169-F239 PolarHBondContact N-O 3.04Å; V212-F239 HydrophobicContact CB-CD1 3.7Å; V212-F239 HydrophobicContact CB-CE1 3.84Å; V212-F239 HydrophobicContact CB-CG 4.45Å; V212-F239 HydrophobicContact CG1-CD1 3.77Å; V212-F239 HydrophobicContact CG1-CE1 3.82Å; V212-F239 HydrophobicContact CG2-CD1 4.43Å; V212-F239 HydrophobicContact CG2-CE1 4.11Å; T222-F239 HydrophobicContact CG2-CD1 3.83Å; T222-F239 HydrophobicContact CG2-CD2 4.07Å; T222-F239 HydrophobicContact CG2-CE1 3.81Å; T222-F239 HydrophobicContact CG2-CE2 4.05Å; T222-F239 HydrophobicContact CG2-CG 3.96Å; T222-F239 HydrophobicContact CG2-CZ 3.92Å; L226-F239 HydrophobicContact CD2-CE2 3.77Å; L226-F239 HydrophobicContact CD2-CZ 4.29Å; P237-F239 HydrophobicContact CG-CE1 4.49Å; P237-F239 HydrophobicContact CG-CE2 3.79Å; P237-F239 HydrophobicContact CG-CZ 3.75Å; P237-F239 VanDerWaalsContact O-CD2 3.26Å; P237-F239 WeakPolarHBondContact O-CD2 3.43Å; P237-F239 WeakPolarHBondContact O-CE2 3.46Å; F239-H241 AromaticContact CD1-CE1 3.99Å
240G97.2Very high92.1Very high0 Ų044 Ų440%025%0.251CS..EExtended strand (participates in β ladder)trans-139.8120169.700000110.4D168 M169 V212 L213 R214D168-G240 WeakPolarHBondContact OD2-CA 3.49Å; M169-G240 VanDerWaalsContact CG-CA 3.44Å; V212-G240 PolarHBondContact O-N 2.75Å; L213-G240 WeakPolarHBondContact CA-O 3.44Å; R214-G240 PolarHBondContact N-O 3.06Å
241H96.9Very high91.1Very high0 Ų043.4 Ų43.40%026%0.261CS..EExtended strand (participates in β ladder)trans-109100.7-176.3-71.989.9000112D168 K171 R214 G215 D216 I219 T222 F239D168-H241 PolarHBondContact OD1-N 3.48Å; D168-H241 VanDerWaalsContact OD1-N 3.14Å; D168-H241 IonicContact OD2-CE1 3.55Å; D168-H241 IonicContact OD2-CG 3.81Å; D168-H241 PolarHBondContact OD2-N 3.49Å; D168-H241 VanDerWaalsContact OD2-N 3.09Å; D168-H241 IonicContact OD2-ND1 2.65Å; D168-H241 PolarHBondContact OD2-ND1 3.07Å; K171-H241 VanDerWaalsContact CE-O 3.25Å; K171-H241 WeakPolarHBondContact CE-O 3.11Å; K171-H241 HydrophobicContact CG-CB 4.43Å; R214-H241 PolarHBondContact NE-NE2 2.9Å; R214-H241 CarbonylContact O-C 3.54Å; R214-H241 VanDerWaalsContact O-CA 3.29Å; R214-H241 WeakPolarHBondContact O-CA 3.04Å; G215-H241 PolarHBondContact O-CD2 2.85Å; D216-H241 HydrophobicContact CB-CB 3.96Å; I219-H241 HydrophobicContact CD1-CB 3.81Å; I219-H241 HydrophobicContact CG1-CB 3.58Å; I219-H241 VanDerWaalsContact CG1-CD2 3.41Å; I219-H241 WeakPolarHBondContact CG1-CD2 3.38Å; T222-H241 PolarHBondContact OG1-CE1 3.19Å; T222-H241 PolarHBondContact OG1-NE2 2.87Å; T222-H241 VanDerWaalsContact OG1-NE2 3.17Å; F239-H241 AromaticContact CD1-CE1 3.99Å
242M93.8Very high90.2Very high5 Ų549.4 Ų49.43%0.02528%0.281CS..EExtended strand (participates in β ladder)trans-71.3140.6179.5-61.884.37600112T23 F26 L213 R214 G215 D216T23-M242 HydrophobicContact CG2-CE 3.79Å; T23-M242 WeakPolarHBondContact OG1-CE 3.43Å; F26-M242 HydrophobicContact CD2-CG 3.67Å; F26-M242 HydrophobicContact CE2-CG 4.07Å; L213-M242 HydrophobicContact CB-CE 4.26Å; L213-M242 HydrophobicContact CB-SD 3.92Å; R214-M242 PolarHBondContact N-SD 2.83Å; R214-M242 VanDerWaalsContact N-SD 3.39Å; R214-M242 PolarHBondContact O-N 3.32Å; G215-M242 CarbonylContact C-O 3.48Å; G215-M242 WeakPolarHBondContact CA-O 3.45Å; D216-M242 WeakPolarHBondContact CB-O 3.49Å; D216-M242 PolarHBondContact N-O 3.03Å
243T91.4Very high89.3Confident3 Ų353.2 Ų53.22%0.01830%0.298CS..PPolyproline II helixtrans-61.3152.3-18055.10000113.5R22 D216 S311 K312 S313R22-T243 PolarHBondContact NH1-O 2.84Å; R22-T243 PolarHBondContact NH2-O 3.34Å; D216-T243 WeakPolarHBondContact OD2-CA 3.24Å; T243-S311 WeakPolarHBondContact CG2-O 3.07Å; T243-K312 VanDerWaalsContact CG2-C 3.43Å; T243-K312 WeakPolarHBondContact CG2-O 3.27Å; T243-S313 WeakPolarHBondContact CB-O 3.45Å; T243-S313 WeakPolarHBondContact CG2-O 3.41Å; T243-S313 PolarHBondContact OG1-O 2.55Å
244L87Confident88.4Confident47 Ų4751 Ų5125%0.24627%0.27CS..PPolyproline II helixtrans-64.9150.2171-57.4-179.2000111.8D216 D217 K253 A315D216-L244 WeakPolarHBondContact OD1-CD2 3.48Å; D216-L244 WeakPolarHBondContact OD1-CG 3.11Å; D216-L244 PolarHBondContact OD1-N 3.02Å; D217-L244 HydrophobicContact CB-CD2 4.17Å; L244-K253 HydrophobicContact CB-CG 4.47Å; L244-K253 HydrophobicContact CD1-CD 3.71Å; L244-K253 HydrophobicContact CD1-CG 4.02Å; L244-A315 PolarHBondContact O-N 3.19Å
245I88.5Confident87Confident9 Ų951.5 Ų51.55%0.04628%0.28CS..EExtended strand (participates in β ladder)trans-82.6131168.5-55.6178.9000108.2I18 R22 L254 L285 A315 F317I18-I245 HydrophobicContact CG2-CD1 3.74Å; R22-I245 HydrophobicContact CB-CD1 4.47Å; I245-L254 HydrophobicContact CG2-CB 4.37Å; I245-L254 HydrophobicContact CG2-CD2 4.14Å; I245-L254 PolarHBondContact O-N 2.92Å; I245-L285 HydrophobicContact CD1-CD1 3.99Å; I245-A315 CarbonylContact C-O 3.54Å; I245-A315 VanDerWaalsContact CA-O 3.29Å; I245-A315 WeakPolarHBondContact CA-O 3.46Å; I245-F317 HydrophobicContact CG2-CB 3.75Å
246I86.5Confident85.6Confident44 Ų4451.6 Ų51.623%0.22627%0.27CS..EExtended strand (participates in β ladder)trans-109.4146.9177.461.2170.1000110.7K252 P314 A315 A316 F317I246-K252 CarbonylContact C-O 3.51Å; I246-K252 VanDerWaalsContact CA-O 3.23Å; I246-K252 WeakPolarHBondContact CA-O 3.46Å; I246-K252 WeakPolarHBondContact CB-O 3.48Å; I246-P314 HydrophobicContact CD1-CB 4.02Å; I246-P314 HydrophobicContact CG1-CB 4.16Å; I246-P314 HydrophobicContact CG2-CB 3.9Å; I246-A315 WeakPolarHBondContact CG1-O 3.45Å; I246-A315 PolarHBondContact N-O 2.89Å; I246-A316 HydrophobicContact CD1-CB 4.48Å; I246-A316 HydrophobicContact CG1-CB 4.15Å; I246-F317 PolarHBondContact O-N 3.28Å
247N82Confident84Confident1 Ų157.4 Ų57.41%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-74.7125.3168171.7-17.3000108.1E249 T250 G251 K252 L254 D258 I261N247-E249 VanDerWaalsContact C-N 3.32Å; N247-E249 PolarHBondContact O-N 2.95Å; N247-E249 WeakPolarHBondContact OD1-CB 3.48Å; N247-E249 PolarHBondContact OD1-N 2.7Å; N247-T250 WeakPolarHBondContact CB-OG1 3.24Å; N247-T250 PolarHBondContact OD1-N 2.95Å; N247-G251 VanDerWaalsContact O-CA 3.29Å; N247-G251 WeakPolarHBondContact O-CA 3.44Å; N247-G251 PolarHBondContact O-N 2.46Å; N247-K252 PolarHBondContact N-O 3.22Å; N247-L254 HydrophobicContact CB-CD1 4.12Å; N247-D258 PolarHBondContact ND2-OD2 3.25Å; N247-I261 HydrophobicContact CB-CD1 4.41Å; N247-I261 VanDerWaalsContact CG-CD1 3.49Å; N247-I261 WeakPolarHBondContact ND2-CD1 3.41Å
248T77.3Confident82.3Confident70 Ų7058.4 Ų58.443%0.42930%0.296SS..THydrogen-bonded Turntrans-63-34.3-179.341.60000113.3A316 F317 D318T248-A316 HydrophobicContact CG2-CB 3.43Å; T248-A316 VanDerWaalsContact CG2-CB 3.43Å; T248-F317 VanDerWaalsContact CG2-O 3.26Å; T248-F317 WeakPolarHBondContact CG2-O 3.41Å; T248-F317 PolarHBondContact OG1-O 3.15Å; T248-D318 HydrophobicContact CG2-CB 4.41Å
249E76.1Confident80.4Confident160 Ų16064.7 Ų64.775%0.74832%0.322SS*.THydrogen-bonded Turntrans-75-37.4-178.3-57.8-172162.800112.2N247N247-E249 VanDerWaalsContact C-N 3.32Å; N247-E249 PolarHBondContact O-N 2.95Å; N247-E249 WeakPolarHBondContact OD1-CB 3.48Å; N247-E249 PolarHBondContact OD1-N 2.7Å
250T79.4Confident78.7Confident74 Ų7469 Ų6945%0.45435%0.352SS..THydrogen-bonded Turntrans-101.8-17.7-175.666.70000114.3N247 K252N247-T250 WeakPolarHBondContact CB-OG1 3.24Å; N247-T250 PolarHBondContact OD1-N 2.95Å; T250-K252 PolarHBondContact O-N 2.84Å; T250-K252 PolarHBondContact OG1-N 2.83Å
251G77.4Confident77.5Confident53 Ų5370.2 Ų70.255%0.54636%0.358SS..  trans66.76.5-172.100000114.6N247N247-G251 VanDerWaalsContact O-CA 3.29Å; N247-G251 WeakPolarHBondContact O-CA 3.44Å; N247-G251 PolarHBondContact O-N 2.46Å
252K78.8Confident76.8Confident154 Ų15472.5 Ų72.567%0.6737%0.37SS*.SBendtrans-98.3162.5-177.6-67.5179.4-178.4174.90111.3I246 N247 T250 L254I246-K252 CarbonylContact C-O 3.51Å; I246-K252 VanDerWaalsContact CA-O 3.23Å; I246-K252 WeakPolarHBondContact CA-O 3.46Å; I246-K252 WeakPolarHBondContact CB-O 3.48Å; N247-K252 PolarHBondContact N-O 3.22Å; T250-K252 PolarHBondContact O-N 2.84Å; T250-K252 PolarHBondContact OG1-N 2.83Å; K252-L254 PolarHBondContact O-N 2.73Å
253K79Confident76.3Confident105 Ų10572.6 Ų72.646%0.45737%0.37SS..BIsolated β-bridgetrans-50128170.2-175.9-176.5-169.5161.10108.9D217 L244 S255D217-K253 IonicContact OD2-NZ 2.72Å; D217-K253 PolarHBondContact OD2-NZ 3.47Å; L244-K253 HydrophobicContact CB-CG 4.47Å; L244-K253 HydrophobicContact CD1-CD 3.71Å; L244-K253 HydrophobicContact CD1-CG 4.02Å; K253-S255 PolarHBondContact O-N 3.37Å
254L78.7Confident76.3Confident22 Ų2274.7 Ų74.712%0.11538%0.379CS..  trans-57.8113.2172.4-169.868.9000107.9I245 N247 K252 Q263 F317I245-L254 HydrophobicContact CG2-CB 4.37Å; I245-L254 HydrophobicContact CG2-CD2 4.14Å; I245-L254 PolarHBondContact O-N 2.92Å; N247-L254 HydrophobicContact CB-CD1 4.12Å; K252-L254 PolarHBondContact O-N 2.73Å; L254-Q263 HydrophobicContact CD1-CG 4.12Å; L254-Q263 HydrophobicContact CD2-CG 4.17Å; L254-Q263 HydrophobicContact CG-CG 4.08Å; L254-F317 HydrophobicContact CD2-CB 4.44Å; L254-F317 HydrophobicContact CD2-CG 4.42Å
255S70Confident76.7Confident52 Ų5272.4 Ų72.436%0.36437%0.368SS..  trans-110.7139.9-169.197.70000110.3K253 R257 D258 Q263K253-S255 PolarHBondContact O-N 3.37Å; S255-R257 PolarHBondContact O-N 2.89Å; S255-R257 PolarHBondContact OG-N 3.3Å; S255-D258 WeakPolarHBondContact O-CB 3.18Å; S255-D258 PolarHBondContact O-N 2.98Å; S255-Q263 VanDerWaalsContact O-CD 3.27Å; S255-Q263 PolarHBondContact O-NE2 3.01Å; S255-Q263 PolarHBondContact O-OE1 2.87Å
256K66.3Low77Confident104 Ų10475.5 Ų75.545%0.45238%0.382SS..THydrogen-bonded Turntrans-54.5-10.3175.2-64-177.1177.4-176.90114.8
257R64.4Low77.4Confident225 Ų22576.4 Ų76.485%0.84939%0.385SS*.THydrogen-bonded Turntrans-99.2-5.1179.4-61.9-176.7-179.6-176.6-1.1113.7S255 E259S255-R257 PolarHBondContact O-N 2.89Å; S255-R257 PolarHBondContact OG-N 3.3Å; R257-E259 VanDerWaalsContact C-N 3.31Å; R257-E259 PolarHBondContact O-N 3.24Å; R257-E259 VanDerWaalsContact O-N 3.08Å
258D62Low78.1Confident37 Ų3776.4 Ų76.420%0.19839%0.385CS..  trans-83.981.9179.3-167.8-2.6000108.8N247 S255 S260 I261 Q263N247-D258 PolarHBondContact ND2-OD2 3.25Å; S255-D258 WeakPolarHBondContact O-CB 3.18Å; S255-D258 PolarHBondContact O-N 2.98Å; D258-S260 PolarHBondContact O-N 3.23Å; D258-S260 PolarHBondContact OD1-OG 2.81Å; D258-I261 PolarHBondContact O-N 2.85Å; D258-Q263 PolarHBondContact O-NE2 3.32Å
259E58.4Low79Confident191 Ų19178.5 Ų78.589%0.89339%0.385SS*.THydrogen-bonded Turntrans-65.6-11.4-178.3-65.4178.5176.900113R257 I261R257-E259 VanDerWaalsContact C-N 3.31Å; R257-E259 PolarHBondContact O-N 3.24Å; R257-E259 VanDerWaalsContact O-N 3.08Å; E259-I261 VanDerWaalsContact C-N 3.26Å; E259-I261 PolarHBondContact O-N 3.43Å
260S62.9Low79.9Confident92 Ų9276.9 Ų76.964%0.64338%0.377SS*.THydrogen-bonded Turntrans-74.6-16.3179.472.10000113.5D258D258-S260 PolarHBondContact O-N 3.23Å; D258-S260 PolarHBondContact OD1-OG 2.81Å
261I70.7Confident80.7Confident26 Ų2675.8 Ų75.813%0.13337%0.369CS..SBendtrans-125.3135.6-176.7-53.5-174.7000108.9N247 D258 E259 Q263 F317N247-I261 HydrophobicContact CB-CD1 4.41Å; N247-I261 VanDerWaalsContact CG-CD1 3.49Å; N247-I261 WeakPolarHBondContact ND2-CD1 3.41Å; D258-I261 PolarHBondContact O-N 2.85Å; E259-I261 VanDerWaalsContact C-N 3.26Å; E259-I261 PolarHBondContact O-N 3.43Å; I261-Q263 WeakPolarHBondContact O-CG 3.42Å; I261-Q263 PolarHBondContact O-N 3.46Å; I261-F317 HydrophobicContact CG2-CD1 3.95Å; I261-F317 HydrophobicContact CG2-CE1 3.59Å
262L82.1Confident81.7Confident48 Ų4873.4 Ų73.425%0.25134%0.344SS..  trans-61.6127.6168-60.5176.2000108.7Q267 Y268 L271L262-Q267 HydrophobicContact CD2-CB 3.91Å; L262-Q267 HydrophobicContact CD2-CG 4.44Å; L262-Y268 HydrophobicContact CB-CE1 3.82Å; L262-Y268 HydrophobicContact CB-CE2 3.82Å; L262-Y268 VanDerWaalsContact CB-CZ 3.44Å; L262-Y268 WeakPolarHBondContact CB-OH 3.47Å; L262-Y268 HydrophobicContact CD1-CD1 4.23Å; L262-Y268 HydrophobicContact CD1-CE1 3.95Å; L262-Y268 PolarHBondContact O-OH 3.41Å; L262-L271 HydrophobicContact CD1-CD1 3.3Å
263Q84.4Confident82.6Confident7 Ų766.4 Ų66.43%0.03331%0.313CS..  trans-129.6-21.5-176.8-70.3-179.845.700112.6H17 I18 L254 S255 D258 I261H17-Q263 CarbonylContact C-O 3.54Å; H17-Q263 WeakPolarHBondContact CA-O 3.48Å; H17-Q263 WeakPolarHBondContact CB-O 3.12Å; I18-Q263 PolarHBondContact N-O 3.17Å; L254-Q263 HydrophobicContact CD1-CG 4.12Å; L254-Q263 HydrophobicContact CD2-CG 4.17Å; L254-Q263 HydrophobicContact CG-CG 4.08Å; S255-Q263 VanDerWaalsContact O-CD 3.27Å; S255-Q263 PolarHBondContact O-NE2 3.01Å; S255-Q263 PolarHBondContact O-OE1 2.87Å; D258-Q263 PolarHBondContact O-NE2 3.32Å; I261-Q263 WeakPolarHBondContact O-CG 3.42Å; I261-Q263 PolarHBondContact O-N 3.46Å
264F91.5Very high83.5Confident47 Ų4761.8 Ų61.821%0.20629%0.294CS..BIsolated β-bridgetrans-94.3133.8-178.7-58.1-70.6000109.8H15 L16 H17 E266 Q267 Y268H15-F264 HydrophobicContact CB-CD1 3.65Å; H15-F264 HydrophobicContact CB-CE1 4.05Å; H15-F264 HydrophobicContact CB-CG 4.28Å; L16-F264 WeakPolarHBondContact O-CA 3.35Å; H17-F264 HydrophobicContact CB-CD1 4Å; H17-F264 HydrophobicContact CB-CE1 4.13Å; F264-E266 PolarHBondContact O-N 3.48Å; F264-Q267 HydrophobicContact CB-CG 4.13Å; F264-Q267 WeakPolarHBondContact O-CB 3.43Å; F264-Q267 PolarHBondContact O-N 3.09Å; F264-Y268 VanDerWaalsContact O-CD2 3.3Å; F264-Y268 WeakPolarHBondContact O-CD2 3.33Å
265I95.1Very high84.4Confident0 Ų062.1 Ų62.10%030%0.297CS..Hα-helixtrans-57.1-35.5-179.1-61.1-56.4000111.2L16 I18 A21 N61 W64 L65 Q267 Y268 R269 M278 I282L16-I265 HydrophobicContact CB-CG1 4.44Å; L16-I265 HydrophobicContact CD2-CB 4.16Å; L16-I265 HydrophobicContact CD2-CG1 3.76Å; L16-I265 HydrophobicContact CG-CB 4.39Å; L16-I265 HydrophobicContact CG-CG1 3.8Å; L16-I265 PolarHBondContact O-N 2.83Å; I18-I265 HydrophobicContact CG1-CD1 3.91Å; A21-I265 HydrophobicContact CB-CD1 3.88Å; A21-I265 HydrophobicContact CB-CG1 3.88Å; N61-I265 HydrophobicContact CB-CB 4.09Å; N61-I265 HydrophobicContact CB-CG2 3.88Å; W64-I265 HydrophobicContact CE3-CG2 3.67Å; W64-I265 HydrophobicContact CZ3-CG2 3.67Å; L65-I265 HydrophobicContact CD1-CD1 4.35Å; L65-I265 HydrophobicContact CD1-CG1 4.28Å; L65-I265 HydrophobicContact CD1-CG2 4.03Å; L65-I265 HydrophobicContact CD2-CG2 4.19Å; L65-I265 HydrophobicContact CG-CG2 4.03Å; I265-Q267 VanDerWaalsContact C-N 3.3Å; I265-Q267 PolarHBondContact O-N 3.46Å; I265-Y268 PolarHBondContact O-N 2.91Å; I265-R269 PolarHBondContact O-N 2.98Å; I265-M278 HydrophobicContact CD1-CE 3.96Å; I265-I282 HydrophobicContact CD1-CD1 3.84Å
266E94.5Very high85.7Confident73 Ų7363.8 Ų63.834%0.34130%0.299SS..Hα-helixtrans-57.6-39.3176.4-169.4164.5-175.200112.9H15 S57 F264 Y268 R269 E270H15-E266 IonicContact ND1-OE2 3.57Å; S57-E266 PolarHBondContact OG-OE2 3.35Å; F264-E266 PolarHBondContact O-N 3.48Å; E266-Y268 PolarHBondContact O-N 3.24Å; E266-R269 WeakPolarHBondContact O-CB 3.29Å; E266-R269 PolarHBondContact O-N 3.47Å; E266-E270 WeakPolarHBondContact O-CB 3.34Å; E266-E270 VanDerWaalsContact O-CG 3.32Å; E266-E270 WeakPolarHBondContact O-CG 3.19Å; E266-E270 PolarHBondContact O-N 3.4Å
267Q94.2Very high87.3Confident64 Ų6458.9 Ų58.930%0.29928%0.278SS..Hα-helixtrans-68.2-38.4179.5-59.5172.2-61.700111.9L262 F264 I265 E270 L271L262-Q267 HydrophobicContact CD2-CB 3.91Å; L262-Q267 HydrophobicContact CD2-CG 4.44Å; F264-Q267 HydrophobicContact CB-CG 4.13Å; F264-Q267 WeakPolarHBondContact O-CB 3.43Å; F264-Q267 PolarHBondContact O-N 3.09Å; I265-Q267 VanDerWaalsContact C-N 3.3Å; I265-Q267 PolarHBondContact O-N 3.46Å; Q267-E270 PolarHBondContact O-N 3.09Å; Q267-L271 WeakPolarHBondContact O-CG 3.42Å; Q267-L271 PolarHBondContact O-N 3.36Å; Q267-L271 VanDerWaalsContact O-N 3.08Å
268Y96.2Very high88.9Confident0 Ų048.1 Ų48.10%024%0.237CC..Hα-helixtrans-65.1-42.9174.3-68.7-75.3000111.3I18 L262 F264 I265 E266 E270 L271 G272 Y273 M278 F317 Q319 L322I18-Y268 HydrophobicContact CD1-CE2 3.58Å; I18-Y268 HydrophobicContact CG1-CE2 4.16Å; L262-Y268 HydrophobicContact CB-CE1 3.82Å; L262-Y268 HydrophobicContact CB-CE2 3.82Å; L262-Y268 VanDerWaalsContact CB-CZ 3.44Å; L262-Y268 WeakPolarHBondContact CB-OH 3.47Å; L262-Y268 HydrophobicContact CD1-CD1 4.23Å; L262-Y268 HydrophobicContact CD1-CE1 3.95Å; L262-Y268 PolarHBondContact O-OH 3.41Å; F264-Y268 VanDerWaalsContact O-CD2 3.3Å; F264-Y268 WeakPolarHBondContact O-CD2 3.33Å; I265-Y268 PolarHBondContact O-N 2.91Å; E266-Y268 PolarHBondContact O-N 3.24Å; Y268-E270 VanDerWaalsContact C-N 3.31Å; Y268-E270 PolarHBondContact O-N 3.29Å; Y268-L271 PolarHBondContact O-N 3.07Å; Y268-G272 PolarHBondContact O-N 3.03Å; Y268-Y273 HydrophobicContact CD1-CD1 4.35Å; Y268-Y273 AromaticContact CD1-CD2 3.77Å; Y268-Y273 HydrophobicContact CD1-CD2 3.77Å; Y268-Y273 HydrophobicContact CD1-CE1 4.38Å; Y268-Y273 AromaticContact CD1-CE2 3.76Å; Y268-Y273 HydrophobicContact CD1-CE2 3.76Å; Y268-Y273 HydrophobicContact CD1-CG 4.06Å; Y268-Y273 HydrophobicContact CE1-CE2 4.43Å; Y268-Y273 HydrophobicContact CG-CD2 4.44Å; Y268-Y273 WeakPolarHBondContact O-CB 3.26Å; Y268-Y273 WeakPolarHBondContact O-CD2 3.49Å; Y268-Y273 PolarHBondContact O-N 2.85Å; Y268-M278 HydrophobicContact CD1-CE 4.31Å; Y268-M278 HydrophobicContact CD1-SD 4.15Å; Y268-M278 HydrophobicContact CD2-CE 3.75Å; Y268-M278 HydrophobicContact CE2-CE 4.26Å; Y268-M278 HydrophobicContact CG-CE 3.76Å; Y268-M278 HydrophobicContact CG-SD 4Å; Y268-F317 WeakPolarHBondContact OH-CZ 3.39Å; Y268-Q319 PolarHBondContact OH-OE1 3.47Å; Y268-L322 HydrophobicContact CD1-CD2 3.91Å; Y268-L322 HydrophobicContact CE1-CD2 3.37Å
269R96.3Very high90.6Very high114 Ų11446.5 Ų46.543%0.4323%0.228SC..Hα-helixtrans-58.9-43.6173.5178.6178.8-178.7-175.90.5111.4W64 I265 E266 L271 G272W64-R269 HydrophobicContact CD2-CB 4.1Å; W64-R269 HydrophobicContact CD2-CG 3.98Å; W64-R269 HydrophobicContact CE3-CB 4.22Å; W64-R269 HydrophobicContact CG-CG 4.35Å; W64-R269 HydrophobicContact CH2-CB 3.85Å; W64-R269 HydrophobicContact CH2-CG 4.45Å; W64-R269 HydrophobicContact CZ2-CB 3.7Å; W64-R269 HydrophobicContact CZ2-CG 3.81Å; W64-R269 HydrophobicContact CZ3-CB 4.11Å; I265-R269 PolarHBondContact O-N 2.98Å; E266-R269 WeakPolarHBondContact O-CB 3.29Å; E266-R269 PolarHBondContact O-N 3.47Å; R269-L271 VanDerWaalsContact C-N 3.29Å; R269-L271 PolarHBondContact O-N 3.33Å; R269-G272 PolarHBondContact O-N 2.95Å
270E95.5Very high92.5Very high126 Ų12637.4 Ų37.459%0.58919%0.186SC*.Hα-helixtrans-63-33177.7-76.7178.5165.100112.9E266 Q267 Y268 G272 Y345E266-E270 WeakPolarHBondContact O-CB 3.34Å; E266-E270 VanDerWaalsContact O-CG 3.32Å; E266-E270 WeakPolarHBondContact O-CG 3.19Å; E266-E270 PolarHBondContact O-N 3.4Å; Q267-E270 PolarHBondContact O-N 3.09Å; Y268-E270 VanDerWaalsContact C-N 3.31Å; Y268-E270 PolarHBondContact O-N 3.29Å; E270-G272 VanDerWaalsContact C-N 3.27Å; E270-Y345 WeakPolarHBondContact O-CE1 3.29Å; E270-Y345 PolarHBondContact O-OH 3.12Å
271L96.6Very high94.1Very high52 Ų5233.2 Ų33.227%0.27216%0.156SC..Hα-helixtrans-78.4-9.8173.5-69.6176.2000113.8L262 Q267 Y268 R269 Y273 Y377 A379L262-L271 HydrophobicContact CD1-CD1 3.3Å; Q267-L271 WeakPolarHBondContact O-CG 3.42Å; Q267-L271 PolarHBondContact O-N 3.36Å; Q267-L271 VanDerWaalsContact O-N 3.08Å; Y268-L271 PolarHBondContact O-N 3.07Å; R269-L271 VanDerWaalsContact C-N 3.29Å; R269-L271 PolarHBondContact O-N 3.33Å; L271-Y273 HydrophobicContact CB-CD2 3.96Å; L271-Y273 HydrophobicContact CB-CE2 4.1Å; L271-Y273 HydrophobicContact CD1-CE2 4.15Å; L271-Y377 HydrophobicContact CB-CD2 3.96Å; L271-Y377 HydrophobicContact CB-CE2 4.33Å; L271-Y377 HydrophobicContact CD2-CE2 4.36Å; L271-Y377 WeakPolarHBondContact O-CD2 3.33Å; L271-A379 HydrophobicContact CD2-CB 4.23Å; L271-A379 WeakPolarHBondContact O-CB 3.46Å; L271-A379 PolarHBondContact O-N 3.45Å
272G97.5Very high95.4Very high3 Ų332 Ų323%0.03115%0.15CC..THydrogen-bonded Turntrans80.933.8179.600000112.8Y268 R269 E270 Y345 A378Y268-G272 PolarHBondContact O-N 3.03Å; R269-G272 PolarHBondContact O-N 2.95Å; E270-G272 VanDerWaalsContact C-N 3.27Å; G272-Y345 VanDerWaalsContact CA-OH 3.25Å; G272-Y345 WeakPolarHBondContact CA-OH 3.4Å; G272-Y345 PolarHBondContact N-OH 3.36Å; G272-A378 PolarHBondContact O-N 3.47Å
273Y98.3Very high96.1Very high6 Ų629.7 Ų29.72%0.02414%0.138CC..  trans-62.9150.9158.6-78.2-100.7000109.6W64 Y268 L271 M278 Q319 L322 E323 N326 Y377W64-Y273 VanDerWaalsContact CZ2-O 3.28Å; W64-Y273 WeakPolarHBondContact CZ2-O 3.21Å; Y268-Y273 HydrophobicContact CD1-CD1 4.35Å; Y268-Y273 AromaticContact CD1-CD2 3.77Å; Y268-Y273 HydrophobicContact CD1-CD2 3.77Å; Y268-Y273 HydrophobicContact CD1-CE1 4.38Å; Y268-Y273 AromaticContact CD1-CE2 3.76Å; Y268-Y273 HydrophobicContact CD1-CE2 3.76Å; Y268-Y273 HydrophobicContact CD1-CG 4.06Å; Y268-Y273 HydrophobicContact CE1-CE2 4.43Å; Y268-Y273 HydrophobicContact CG-CD2 4.44Å; Y268-Y273 WeakPolarHBondContact O-CB 3.26Å; Y268-Y273 WeakPolarHBondContact O-CD2 3.49Å; Y268-Y273 PolarHBondContact O-N 2.85Å; L271-Y273 HydrophobicContact CB-CD2 3.96Å; L271-Y273 HydrophobicContact CB-CE2 4.1Å; L271-Y273 HydrophobicContact CD1-CE2 4.15Å; Y273-M278 HydrophobicContact CD1-SD 4.11Å; Y273-M278 HydrophobicContact CG-SD 4.33Å; Y273-Q319 PolarHBondContact OH-NE2 2.96Å; Y273-L322 HydrophobicContact CD1-CD1 4.29Å; Y273-L322 HydrophobicContact CD1-CG 4.26Å; Y273-L322 HydrophobicContact CE1-CD1 4.29Å; Y273-L322 HydrophobicContact CE1-CD2 4.1Å; Y273-L322 HydrophobicContact CE1-CG 3.79Å; Y273-E323 WeakPolarHBondContact OH-CG 3.2Å; Y273-N326 HydrophobicContact CD1-CB 3.69Å; Y273-N326 VanDerWaalsContact CD1-CG 3.43Å; Y273-N326 WeakPolarHBondContact CD1-OD1 3.45Å; Y273-N326 HydrophobicContact CE1-CB 3.93Å; Y273-Y377 HydrophobicContact CD2-CD1 4.34Å; Y273-Y377 HydrophobicContact CD2-CG 4.08Å; Y273-Y377 HydrophobicContact CE1-CD1 4.23Å; Y273-Y377 AromaticContact CE2-CD1 3.49Å; Y273-Y377 HydrophobicContact CE2-CD1 3.49Å; Y273-Y377 VanDerWaalsContact CE2-CD1 3.49Å; Y273-Y377 HydrophobicContact CE2-CD2 4.36Å; Y273-Y377 HydrophobicContact CE2-CE1 4.17Å; Y273-Y377 AromaticContact CE2-CG 3.63Å; Y273-Y377 HydrophobicContact CE2-CG 3.63Å; Y273-Y377 AromaticContact CZ-CD1 3.43Å; Y273-Y377 VanDerWaalsContact CZ-CD1 3.43Å; Y273-Y377 WeakPolarHBondContact OH-CD1 3.4Å
274L98.2Very high96.6Very high8 Ų830.7 Ų30.74%0.04214%0.143CC..  trans-88.4136.7-179.8-61.3-177.8000109.8E276 A277 M278 N326 I330 M333 L341L274-E276 VanDerWaalsContact C-N 3.26Å; L274-E276 PolarHBondContact O-N 2.96Å; L274-A277 HydrophobicContact CB-CB 4.14Å; L274-A277 PolarHBondContact O-N 3.37Å; L274-M278 WeakPolarHBondContact O-CG 3.31Å; L274-M278 PolarHBondContact O-N 3.19Å; L274-N326 PolarHBondContact N-OD1 2.6Å; L274-I330 HydrophobicContact CD1-CD1 3.7Å; L274-I330 HydrophobicContact CD1-CG1 3.95Å; L274-I330 HydrophobicContact CD2-CD1 4.09Å; L274-I330 HydrophobicContact CG-CD1 3.83Å; L274-I330 HydrophobicContact CG-CG1 4.3Å; L274-M333 HydrophobicContact CD1-CE 3.75Å; L274-M333 HydrophobicContact CD1-SD 4.46Å; L274-M333 HydrophobicContact CD2-CE 3.48Å; L274-M333 VanDerWaalsContact CD2-CE 3.48Å; L274-M333 HydrophobicContact CD2-SD 4.24Å; L274-M333 HydrophobicContact CG-CE 4.26Å; L274-L341 HydrophobicContact CD2-CD2 3.6Å
275P97.8Very high96.7Very high30 Ų3028.9 Ų28.920%0.19514%0.136CC..Hα-helixtrans-62-35.2-178.524.6-32.7000112.4W64 M278 F279W64-P275 HydrophobicContact CD2-CB 4.18Å; W64-P275 HydrophobicContact CE3-CB 4.46Å; W64-P275 HydrophobicContact CH2-CB 4.42Å; W64-P275 HydrophobicContact CZ2-CB 4.12Å; W64-P275 WeakPolarHBondContact O-CB 3.37Å; P275-M278 PolarHBondContact O-N 3.15Å; P275-F279 WeakPolarHBondContact O-CB 3.35Å; P275-F279 PolarHBondContact O-N 2.68Å
276E97.9Very high96.6Very high87 Ų8729.4 Ų29.441%0.40714%0.141SC..Hα-helixtrans-65.4-40.6177.8-55.586.8166.400111.7L274 F279 N280 Y329L274-E276 VanDerWaalsContact C-N 3.26Å; L274-E276 PolarHBondContact O-N 2.96Å; E276-F279 PolarHBondContact O-N 3.47Å; E276-N280 WeakPolarHBondContact O-CB 3.41Å; E276-N280 PolarHBondContact O-N 3.13Å; E276-Y329 HydrophobicContact CB-CD1 3.87Å; E276-Y329 HydrophobicContact CB-CE1 3.64Å
277A98Very high96.7Very high0 Ų025.9 Ų25.90%013%0.125CC..Hα-helixtrans-68.3-41.7176.100000111.9L274 N280 F281 V325 N326 Y329L274-A277 HydrophobicContact CB-CB 4.14Å; L274-A277 PolarHBondContact O-N 3.37Å; A277-N280 PolarHBondContact O-N 3.1Å; A277-F281 WeakPolarHBondContact O-CB 3.12Å; A277-F281 PolarHBondContact O-N 3.11Å; A277-V325 HydrophobicContact CB-CG1 4.24Å; A277-N326 HydrophobicContact CB-CB 3.98Å; A277-N326 WeakPolarHBondContact CB-OD1 3.18Å; A277-Y329 HydrophobicContact CB-CD2 3.51Å; A277-Y329 HydrophobicContact CB-CE2 4.07Å; A277-Y329 HydrophobicContact CB-CG 3.83Å
278M97.9Very high96.7Very high0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-62.4-44.7173.9-71.5-61.7-60.800111.1W64 L65 I265 Y268 Y273 L274 P275 F281 I282 L322W64-M278 HydrophobicContact CH2-CG 4Å; W64-M278 HydrophobicContact CZ3-CB 4.45Å; W64-M278 HydrophobicContact CZ3-CG 4.13Å; L65-M278 HydrophobicContact CD2-CB 3.49Å; L65-M278 VanDerWaalsContact CD2-CB 3.49Å; L65-M278 HydrophobicContact CD2-CG 4.43Å; I265-M278 HydrophobicContact CD1-CE 3.96Å; Y268-M278 HydrophobicContact CD1-CE 4.31Å; Y268-M278 HydrophobicContact CD1-SD 4.15Å; Y268-M278 HydrophobicContact CD2-CE 3.75Å; Y268-M278 HydrophobicContact CE2-CE 4.26Å; Y268-M278 HydrophobicContact CG-CE 3.76Å; Y268-M278 HydrophobicContact CG-SD 4Å; Y273-M278 HydrophobicContact CD1-SD 4.11Å; Y273-M278 HydrophobicContact CG-SD 4.33Å; L274-M278 WeakPolarHBondContact O-CG 3.31Å; L274-M278 PolarHBondContact O-N 3.19Å; P275-M278 PolarHBondContact O-N 3.15Å; M278-F281 PolarHBondContact O-N 3.36Å; M278-I282 HydrophobicContact CE-CD1 4.17Å; M278-I282 VanDerWaalsContact O-CB 3.31Å; M278-I282 WeakPolarHBondContact O-CB 3.29Å; M278-I282 WeakPolarHBondContact O-CD1 3.4Å; M278-I282 WeakPolarHBondContact O-CG1 3.44Å; M278-I282 PolarHBondContact O-N 2.9Å; M278-L322 HydrophobicContact CE-CD2 4.44Å; M278-L322 HydrophobicContact SD-CD1 3.61Å; M278-L322 HydrophobicContact SD-CD2 3.96Å; M278-L322 HydrophobicContact SD-CG 4.36Å
279F98.3Very high96.7Very high2 Ų226.5 Ų26.51%0.00914%0.136CC..Hα-helixtrans-57.1-51.6175.2-174.1-73.9000110.7L25 Y28 L29 L65 I67 P275 E276 F281 I282 A283 Q298 L301L25-F279 HydrophobicContact CD1-CD1 4.22Å; L25-F279 HydrophobicContact CD1-CD2 3.65Å; L25-F279 HydrophobicContact CD1-CE1 3.78Å; L25-F279 HydrophobicContact CD1-CE2 3.18Å; L25-F279 HydrophobicContact CD1-CG 4.16Å; L25-F279 HydrophobicContact CD1-CZ 3.24Å; L25-F279 WeakPolarHBondContact CD2-O 3.33Å; Y28-F279 HydrophobicContact CD1-CE2 4.07Å; Y28-F279 HydrophobicContact CD1-CZ 4.09Å; Y28-F279 AromaticContact CE1-CE2 3.91Å; Y28-F279 HydrophobicContact CE1-CE2 3.91Å; Y28-F279 AromaticContact CE1-CZ 3.9Å; Y28-F279 HydrophobicContact CE1-CZ 3.9Å; L29-F279 HydrophobicContact CD2-CE1 4.01Å; L29-F279 HydrophobicContact CD2-CZ 3.75Å; L29-F279 HydrophobicContact CG-CZ 4.41Å; L65-F279 WeakPolarHBondContact O-CD2 3.31Å; I67-F279 HydrophobicContact CG1-CD2 4.17Å; I67-F279 HydrophobicContact CG1-CE2 4.02Å; P275-F279 WeakPolarHBondContact O-CB 3.35Å; P275-F279 PolarHBondContact O-N 2.68Å; E276-F279 PolarHBondContact O-N 3.47Å; F279-F281 PolarHBondContact O-N 3.11Å; F279-I282 PolarHBondContact O-N 2.98Å; F279-A283 WeakPolarHBondContact O-CB 3.14Å; F279-A283 PolarHBondContact O-N 2.88Å; F279-Q298 HydrophobicContact CD1-CB 4.43Å; F279-Q298 HydrophobicContact CD1-CG 4.34Å; F279-Q298 HydrophobicContact CD2-CG 4.45Å; F279-Q298 HydrophobicContact CE1-CB 4.25Å; F279-Q298 HydrophobicContact CE1-CG 3.83Å; F279-Q298 HydrophobicContact CE2-CG 3.91Å; F279-Q298 HydrophobicContact CZ-CB 4.47Å; F279-Q298 HydrophobicContact CZ-CG 3.58Å; F279-L301 HydrophobicContact CD1-CD1 3.69Å; F279-L301 HydrophobicContact CE1-CB 4.12Å; F279-L301 HydrophobicContact CE1-CD1 3.69Å
280N98.3Very high96.6Very high0 Ų026.6 Ų26.60%015%0.149CC..Hα-helixtrans-58.9-48.6178.3-177.1163.6000111.7E276 A277 A283 L284 E294 I295 F296 L301 V325 Y329E276-N280 WeakPolarHBondContact O-CB 3.41Å; E276-N280 PolarHBondContact O-N 3.13Å; A277-N280 PolarHBondContact O-N 3.1Å; N280-A283 WeakPolarHBondContact O-CB 3.49Å; N280-A283 PolarHBondContact O-N 2.96Å; N280-L284 WeakPolarHBondContact O-CG 3.43Å; N280-L284 PolarHBondContact O-N 2.77Å; N280-E294 PolarHBondContact ND2-O 2.7Å; N280-E294 PolarHBondContact OD1-O 2.78Å; N280-I295 VanDerWaalsContact OD1-CA 3.29Å; N280-I295 WeakPolarHBondContact OD1-CA 3.49Å; N280-F296 PolarHBondContact OD1-N 2.99Å; N280-F296 PolarHBondContact OD1-O 2.93Å; N280-L301 HydrophobicContact CB-CD1 4.37Å; N280-V325 HydrophobicContact CB-CG1 4.4Å; N280-Y329 HydrophobicContact CB-CE2 4.18Å; N280-Y329 WeakPolarHBondContact CB-OH 3.46Å; N280-Y329 WeakPolarHBondContact OD1-CE2 3.38Å; N280-Y329 PolarHBondContact OD1-OH 2.9Å
281F97.2Very high96.5Very high4 Ų423.3 Ų23.32%0.01815%0.149CC..Hα-helixtrans-62.8-48.3-178.8174.8-96.8000111.3A277 M278 F279 A283 L284 L285 F317 K321 L322 V325A277-F281 WeakPolarHBondContact O-CB 3.12Å; A277-F281 PolarHBondContact O-N 3.11Å; M278-F281 PolarHBondContact O-N 3.36Å; F279-F281 PolarHBondContact O-N 3.11Å; F281-A283 VanDerWaalsContact C-N 3.27Å; F281-A283 PolarHBondContact O-N 2.92Å; F281-L284 PolarHBondContact O-N 2.95Å; F281-L284 VanDerWaalsContact O-N 3.12Å; F281-L285 HydrophobicContact CD1-CD1 4.18Å; F281-L285 HydrophobicContact CD1-CG 4.44Å; F281-L285 HydrophobicContact CE1-CD1 3.72Å; F281-L285 HydrophobicContact CE1-CD2 3.99Å; F281-L285 HydrophobicContact CE1-CG 4.09Å; F281-L285 HydrophobicContact CZ-CD1 4.45Å; F281-L285 HydrophobicContact CZ-CD2 3.9Å; F281-L285 HydrophobicContact CZ-CG 4.48Å; F281-F317 AromaticContact CE1-CD2 3.8Å; F281-F317 HydrophobicContact CE1-CD2 3.8Å; F281-F317 AromaticContact CE1-CE2 3.5Å; F281-F317 HydrophobicContact CE1-CE2 3.5Å; F281-F317 VanDerWaalsContact CE1-CE2 3.5Å; F281-F317 HydrophobicContact CZ-CD2 4Å; F281-F317 AromaticContact CZ-CE2 3.86Å; F281-F317 HydrophobicContact CZ-CE2 3.86Å; F281-K321 HydrophobicContact CD2-CG 4.5Å; F281-K321 HydrophobicContact CE2-CB 4.2Å; F281-K321 HydrophobicContact CE2-CG 4.16Å; F281-L322 HydrophobicContact CB-CD1 3.71Å; F281-L322 HydrophobicContact CD1-CB 4.24Å; F281-L322 HydrophobicContact CD1-CD1 3.82Å; F281-L322 HydrophobicContact CD1-CD2 4.49Å; F281-L322 HydrophobicContact CD1-CG 4.38Å; F281-L322 HydrophobicContact CD2-CB 3.85Å; F281-L322 HydrophobicContact CD2-CD1 4.14Å; F281-L322 HydrophobicContact CE1-CB 4.14Å; F281-L322 HydrophobicContact CE1-CD1 4.49Å; F281-L322 HydrophobicContact CE1-CD2 4.48Å; F281-L322 HydrophobicContact CE2-CB 3.74Å; F281-L322 HydrophobicContact CG-CB 4.1Å; F281-L322 HydrophobicContact CG-CD1 3.61Å; F281-L322 HydrophobicContact CG-CG 4.37Å; F281-L322 HydrophobicContact CZ-CB 3.88Å; F281-V325 HydrophobicContact CB-CG1 4.44Å; F281-V325 HydrophobicContact CD2-CG2 4.41Å
282I96.7Very high96.3Very high1 Ų129.8 Ų29.81%0.00518%0.178CC..Hα-helixtrans-63-36-180-64.7168.6000110.7A21 R22 L25 L65 I265 M278 F279 L284 L285A21-I282 HydrophobicContact CB-CD1 4.11Å; R22-I282 HydrophobicContact CB-CG2 3.58Å; R22-I282 HydrophobicContact CG-CG2 4.07Å; L25-I282 HydrophobicContact CB-CG2 4.43Å; L25-I282 HydrophobicContact CD2-CB 3.82Å; L25-I282 HydrophobicContact CD2-CG2 3.64Å; L65-I282 HydrophobicContact CD1-CD1 4.35Å; L65-I282 HydrophobicContact CD2-CD1 4.48Å; I265-I282 HydrophobicContact CD1-CD1 3.84Å; M278-I282 HydrophobicContact CE-CD1 4.17Å; M278-I282 VanDerWaalsContact O-CB 3.31Å; M278-I282 WeakPolarHBondContact O-CB 3.29Å; M278-I282 WeakPolarHBondContact O-CD1 3.4Å; M278-I282 WeakPolarHBondContact O-CG1 3.44Å; M278-I282 PolarHBondContact O-N 2.9Å; F279-I282 PolarHBondContact O-N 2.98Å; I282-L284 PolarHBondContact O-N 3.11Å; I282-L285 WeakPolarHBondContact O-CB 3.46Å; I282-L285 PolarHBondContact O-N 3.39Å; I282-L285 VanDerWaalsContact O-N 3.09Å
283A96.9Very high96.2Very high0 Ų035.1 Ų35.10%021%0.206CC..Hα-helixtrans-58.8-35.1176.800000112L25 F26 L29 F279 N280 F281 L285 L301L25-A283 HydrophobicContact CD2-CB 3.93Å; F26-A283 WeakPolarHBondContact CE1-O 3.26Å; L29-A283 HydrophobicContact CD1-CB 4.25Å; F279-A283 WeakPolarHBondContact O-CB 3.14Å; F279-A283 PolarHBondContact O-N 2.88Å; N280-A283 WeakPolarHBondContact O-CB 3.49Å; N280-A283 PolarHBondContact O-N 2.96Å; F281-A283 VanDerWaalsContact C-N 3.27Å; F281-A283 PolarHBondContact O-N 2.92Å; A283-L285 VanDerWaalsContact C-N 3.31Å; A283-L285 PolarHBondContact O-N 3.34Å; A283-L301 HydrophobicContact CB-CD1 3.91Å; A283-L301 HydrophobicContact CB-CD2 4.15Å
284L96Very high96.1Very high28 Ų2838.3 Ų38.315%0.14722%0.221CC..THydrogen-bonded Turntrans-82.7-3.9-179.8-58.9-179.8000113.7N280 F281 I282 G286 W287 P289 E294 F296N280-L284 WeakPolarHBondContact O-CG 3.43Å; N280-L284 PolarHBondContact O-N 2.77Å; F281-L284 PolarHBondContact O-N 2.95Å; F281-L284 VanDerWaalsContact O-N 3.12Å; I282-L284 PolarHBondContact O-N 3.11Å; L284-G286 PolarHBondContact O-N 2.81Å; L284-W287 CarbonylContact C-O 3.49Å; L284-W287 WeakPolarHBondContact CA-O 3.27Å; L284-W287 HydrophobicContact CD2-CE3 4.12Å; L284-W287 HydrophobicContact CD2-CZ3 4.02Å; L284-P289 VanDerWaalsContact CD2-CD 3.46Å; L284-P289 HydrophobicContact CD2-CG 4.03Å; L284-E294 HydrophobicContact CD1-CB 4.16Å; L284-E294 WeakPolarHBondContact CD1-O 3.49Å; L284-F296 HydrophobicContact CD2-CE2 4.47Å
285L94.2Very high96.1Very high8 Ų840.4 Ų40.44%0.04223%0.232CC..SBendtrans-79.978.2179.4-65.7179.9000112.2I18 R22 I245 F281 I282 A283 A315I18-L285 HydrophobicContact CG2-CD1 3.7Å; R22-L285 WeakPolarHBondContact CD-O 3.44Å; I245-L285 HydrophobicContact CD1-CD1 3.99Å; F281-L285 HydrophobicContact CD1-CD1 4.18Å; F281-L285 HydrophobicContact CD1-CG 4.44Å; F281-L285 HydrophobicContact CE1-CD1 3.72Å; F281-L285 HydrophobicContact CE1-CD2 3.99Å; F281-L285 HydrophobicContact CE1-CG 4.09Å; F281-L285 HydrophobicContact CZ-CD1 4.45Å; F281-L285 HydrophobicContact CZ-CD2 3.9Å; F281-L285 HydrophobicContact CZ-CG 4.48Å; I282-L285 WeakPolarHBondContact O-CB 3.46Å; I282-L285 PolarHBondContact O-N 3.39Å; I282-L285 VanDerWaalsContact O-N 3.09Å; A283-L285 VanDerWaalsContact C-N 3.31Å; A283-L285 PolarHBondContact O-N 3.34Å; L285-A315 HydrophobicContact CB-CB 4.21Å
286G93.3Very high96.1Very high11 Ų1139.3 Ų39.311%0.11322%0.224CC..SBendtrans99.113.4178.500000113.7L284 S311L284-G286 PolarHBondContact O-N 2.81Å; G286-S311 WeakPolarHBondContact O-CB 3.43Å; G286-S311 PolarHBondContact O-N 2.84Å
287W95.8Very high96Very high0 Ų038.7 Ų38.70%023%0.227CC..BIsolated β-bridgetrans-136146.1165.6174.484.8000107.6F26 L284 P289 L301 I304 F305 D306 L310F26-W287 HydrophobicContact CE1-CB 4.17Å; F26-W287 HydrophobicContact CE2-CB 4.29Å; F26-W287 HydrophobicContact CZ-CB 3.69Å; L284-W287 CarbonylContact C-O 3.49Å; L284-W287 WeakPolarHBondContact CA-O 3.27Å; L284-W287 HydrophobicContact CD2-CE3 4.12Å; L284-W287 HydrophobicContact CD2-CZ3 4.02Å; W287-P289 HydrophobicContact CH2-CB 3.57Å; W287-P289 HydrophobicContact CH2-CG 4.25Å; W287-P289 HydrophobicContact CZ2-CB 4.26Å; W287-P289 HydrophobicContact CZ3-CB 3.94Å; W287-P289 HydrophobicContact CZ3-CG 4.11Å; W287-L301 HydrophobicContact CH2-CD2 4.18Å; W287-L301 HydrophobicContact CZ3-CD2 3.75Å; W287-I304 HydrophobicContact CH2-CD1 3.95Å; W287-I304 HydrophobicContact CH2-CG1 3.78Å; W287-I304 HydrophobicContact CZ2-CG1 4.25Å; W287-F305 AromaticContact CD1-CE2 3.93Å; W287-F305 HydrophobicContact CD2-CD2 4.19Å; W287-F305 HydrophobicContact CD2-CE2 4.34Å; W287-F305 AromaticContact CE2-CD2 3.93Å; W287-F305 HydrophobicContact CG-CD2 4.38Å; W287-F305 HydrophobicContact CG-CE2 4.08Å; W287-F305 HydrophobicContact CZ2-CD2 4.35Å; W287-F305 AromaticContact NE1-CD2 3.94Å; W287-D306 PolarHBondContact NE1-O 3.39Å; W287-L310 HydrophobicContact CB-CD2 4.15Å
288S94.5Very high95.9Very high67 Ų6740.9 Ų40.947%0.46924%0.237SC..  trans-132.2126.3179.6-57.90000109.2R309S288-R309 PolarHBondContact N-O 2.72Å; S288-R309 WeakPolarHBondContact O-CB 3.49Å; S288-R309 WeakPolarHBondContact O-CD 3.17Å; S288-R309 PolarHBondContact O-NE 2.85Å
289P95.1Very high95.9Very high10 Ų1047 Ų477%0.06527%0.27CS..  trans-66.4169.5175.525.5-31000111.5L284 W287 F296 I304 R309L284-P289 VanDerWaalsContact CD2-CD 3.46Å; L284-P289 HydrophobicContact CD2-CG 4.03Å; W287-P289 HydrophobicContact CH2-CB 3.57Å; W287-P289 HydrophobicContact CH2-CG 4.25Å; W287-P289 HydrophobicContact CZ2-CB 4.26Å; W287-P289 HydrophobicContact CZ3-CB 3.94Å; W287-P289 HydrophobicContact CZ3-CG 4.11Å; P289-F296 HydrophobicContact CB-CE2 4.36Å; P289-F296 HydrophobicContact CB-CZ 3.91Å; P289-F296 HydrophobicContact CG-CE2 3.58Å; P289-F296 HydrophobicContact CG-CZ 3.47Å; P289-F296 VanDerWaalsContact CG-CZ 3.47Å; P289-I304 HydrophobicContact CB-CD1 3.82Å; P289-R309 PolarHBondContact O-NE 3.3Å; P289-R309 PolarHBondContact O-NH2 3.16Å
290V94.1Very high95.8Very high115 Ų11550.9 Ų50.970%0.69729%0.288SS*.SBendtrans-73.8132.1168.1177.90000108.5
291G93.8Very high95.8Very high58 Ų5850.9 Ų50.960%0.59829%0.288SS*.SBendtrans102.5-163.6-177.200000112.6
292E93.3Very high95.9Very high188 Ų18851.9 Ų51.988%0.87929%0.293SS*.SBendtrans-117.1-0.7-176.8-62.1-177.4172.700112.6
293D95.2Very high95.9Very high115 Ų11559.6 Ų59.662%0.61533%0.327SS*.  trans-66.4143.2177.9-65-44.4000110.6F296D293-F296 VanDerWaalsContact C-CE2 3.49Å; D293-F296 VanDerWaalsContact C-CZ 3.49Å; D293-F296 HydrophobicContact CB-CE1 3.8Å; D293-F296 HydrophobicContact CB-CE2 4.23Å; D293-F296 HydrophobicContact CB-CZ 3.45Å; D293-F296 VanDerWaalsContact CB-CZ 3.45Å; D293-F296 WeakPolarHBondContact O-CE2 3.47Å; D293-F296 WeakPolarHBondContact O-CZ 3.43Å
294E96.2Very high95.9Very high72 Ų7262.2 Ų62.234%0.33634%0.34SS..  trans-124.6-8.4179.9-58.1-160.5112.400113N280 L284 K321 W324N280-E294 PolarHBondContact ND2-O 2.7Å; N280-E294 PolarHBondContact OD1-O 2.78Å; L284-E294 HydrophobicContact CD1-CB 4.16Å; L284-E294 WeakPolarHBondContact CD1-O 3.49Å; E294-K321 VanDerWaalsContact OE1-CE 3.26Å; E294-K321 WeakPolarHBondContact OE1-CE 3.33Å; E294-K321 IonicContact OE1-NZ 3.82Å; E294-K321 PolarHBondContact OE1-NZ 3.37Å; E294-K321 IonicContact OE2-NZ 3.46Å; E294-W324 HydrophobicContact CB-CH2 4.23Å; E294-W324 HydrophobicContact CB-CZ3 4.03Å
295I97.9Very high96Very high53 Ų5361 Ų6127%0.27233%0.334SS..  trans-113.5116.2-179.3-54.2-60.3000108.8N280 W324 V325 H328 Y329N280-I295 VanDerWaalsContact OD1-CA 3.29Å; N280-I295 WeakPolarHBondContact OD1-CA 3.49Å; I295-W324 HydrophobicContact CD1-CE3 4.42Å; I295-W324 HydrophobicContact CD1-CH2 3.93Å; I295-W324 HydrophobicContact CD1-CZ3 3.7Å; I295-W324 HydrophobicContact CG1-CH2 3.95Å; I295-W324 HydrophobicContact CG1-CZ3 4.23Å; I295-V325 HydrophobicContact CD1-CB 4.29Å; I295-V325 HydrophobicContact CD1-CG1 4.02Å; I295-V325 HydrophobicContact CD1-CG2 4.11Å; I295-H328 HydrophobicContact CD1-CB 3.96Å; I295-H328 HydrophobicContact CG1-CB 4.31Å; I295-Y329 HydrophobicContact CG2-CE2 3.99Å
296F97.5Very high96Very high7 Ų763.6 Ų63.63%0.03135%0.348CS..  trans-139.5132.9-174.3-59.7-85.3000112N280 L284 P289 D293 E300 L301 I304 Y329N280-F296 PolarHBondContact OD1-N 2.99Å; N280-F296 PolarHBondContact OD1-O 2.93Å; L284-F296 HydrophobicContact CD2-CE2 4.47Å; P289-F296 HydrophobicContact CB-CE2 4.36Å; P289-F296 HydrophobicContact CB-CZ 3.91Å; P289-F296 HydrophobicContact CG-CE2 3.58Å; P289-F296 HydrophobicContact CG-CZ 3.47Å; P289-F296 VanDerWaalsContact CG-CZ 3.47Å; D293-F296 VanDerWaalsContact C-CE2 3.49Å; D293-F296 VanDerWaalsContact C-CZ 3.49Å; D293-F296 HydrophobicContact CB-CE1 3.8Å; D293-F296 HydrophobicContact CB-CE2 4.23Å; D293-F296 HydrophobicContact CB-CZ 3.45Å; D293-F296 VanDerWaalsContact CB-CZ 3.45Å; D293-F296 WeakPolarHBondContact O-CE2 3.47Å; D293-F296 WeakPolarHBondContact O-CZ 3.43Å; F296-E300 HydrophobicContact CD1-CG 4.11Å; F296-L301 HydrophobicContact CB-CD1 4.09Å; F296-L301 HydrophobicContact CB-CD2 3.82Å; F296-L301 HydrophobicContact CB-CG 3.62Å; F296-L301 HydrophobicContact CD2-CD2 3.98Å; F296-L301 HydrophobicContact CG-CD2 3.98Å; F296-L301 HydrophobicContact CG-CG 4.31Å; F296-I304 HydrophobicContact CD1-CD1 4.13Å; F296-I304 HydrophobicContact CE1-CD1 4Å; F296-Y329 PolarHBondContact O-OH 3.41Å
297P95.6Very high96Very high73 Ų7364.3 Ų64.347%0.47435%0.35SS..  trans-62.7152.616628.8-32.5000110.7D299 E300 L301P297-D299 VanDerWaalsContact C-N 3.33Å; P297-D299 PolarHBondContact O-N 3.32Å; P297-E300 WeakPolarHBondContact CD-OE2 3.36Å; P297-E300 HydrophobicContact CG-CB 3.75Å; P297-E300 WeakPolarHBondContact O-CB 3.49Å; P297-E300 PolarHBondContact O-N 2.91Å; P297-L301 PolarHBondContact O-N 3.24Å; P297-L301 VanDerWaalsContact O-N 3.15Å
298Q96.4Very high95.9Very high46 Ų4670.9 Ų70.922%0.21539%0.385CS..Hα-helixtrans-53.8-45.2-177.6174.4170-0.500113.3Y28 G66 F279 E300 L301 I302Y28-Q298 PolarHBondContact OH-NE2 3.1Å; G66-Q298 PolarHBondContact O-NE2 3.31Å; F279-Q298 HydrophobicContact CD1-CB 4.43Å; F279-Q298 HydrophobicContact CD1-CG 4.34Å; F279-Q298 HydrophobicContact CD2-CG 4.45Å; F279-Q298 HydrophobicContact CE1-CB 4.25Å; F279-Q298 HydrophobicContact CE1-CG 3.83Å; F279-Q298 HydrophobicContact CE2-CG 3.91Å; F279-Q298 HydrophobicContact CZ-CB 4.47Å; F279-Q298 HydrophobicContact CZ-CG 3.58Å; Q298-E300 PolarHBondContact O-N 2.95Å; Q298-L301 PolarHBondContact O-N 3.29Å; Q298-I302 HydrophobicContact CG-CD1 4.14Å; Q298-I302 WeakPolarHBondContact O-CG1 3.26Å; Q298-I302 PolarHBondContact O-N 2.9Å
299D97.2Very high95.9Very high129 Ų12972.2 Ų72.269%0.6938%0.38SS*.Hα-helixtrans-62-32.5179.6-69.1-19000112.6P297 K303P297-D299 VanDerWaalsContact C-N 3.33Å; P297-D299 PolarHBondContact O-N 3.32Å; D299-K303 WeakPolarHBondContact O-CB 3.43Å; D299-K303 PolarHBondContact O-N 3.2Å
300E97.6Very high95.9Very high83 Ų8372.4 Ų72.439%0.38838%0.381SS..Hα-helixtrans-71.4-45.1176.2-177.1166.2-169.900110.9F296 P297 Q298 I302 K303 I304F296-E300 HydrophobicContact CD1-CG 4.11Å; P297-E300 WeakPolarHBondContact CD-OE2 3.36Å; P297-E300 HydrophobicContact CG-CB 3.75Å; P297-E300 WeakPolarHBondContact O-CB 3.49Å; P297-E300 PolarHBondContact O-N 2.91Å; Q298-E300 PolarHBondContact O-N 2.95Å; E300-I302 VanDerWaalsContact C-N 3.28Å; E300-I302 PolarHBondContact O-N 3.18Å; E300-K303 WeakPolarHBondContact O-CB 3.45Å; E300-K303 PolarHBondContact O-N 3.25Å; E300-I304 HydrophobicContact CG-CD1 4.33Å; E300-I304 HydrophobicContact CG-CG2 4.27Å; E300-I304 VanDerWaalsContact O-CG1 3.3Å; E300-I304 WeakPolarHBondContact O-CG1 3.3Å; E300-I304 WeakPolarHBondContact O-CG2 3.33Å; E300-I304 PolarHBondContact O-N 3.29Å
301L98.1Very high95.9Very high0 Ų068.9 Ų68.90%036%0.361CS..Hα-helixtrans-56.8-42.2174.3-72167.9000111.9L29 F279 N280 A283 W287 F296 P297 Q298 I304 F305L29-L301 HydrophobicContact CD2-CB 4.1Å; F279-L301 HydrophobicContact CD1-CD1 3.69Å; F279-L301 HydrophobicContact CE1-CB 4.12Å; F279-L301 HydrophobicContact CE1-CD1 3.69Å; N280-L301 HydrophobicContact CB-CD1 4.37Å; A283-L301 HydrophobicContact CB-CD1 3.91Å; A283-L301 HydrophobicContact CB-CD2 4.15Å; W287-L301 HydrophobicContact CH2-CD2 4.18Å; W287-L301 HydrophobicContact CZ3-CD2 3.75Å; F296-L301 HydrophobicContact CB-CD1 4.09Å; F296-L301 HydrophobicContact CB-CD2 3.82Å; F296-L301 HydrophobicContact CB-CG 3.62Å; F296-L301 HydrophobicContact CD2-CD2 3.98Å; F296-L301 HydrophobicContact CG-CD2 3.98Å; F296-L301 HydrophobicContact CG-CG 4.31Å; P297-L301 PolarHBondContact O-N 3.24Å; P297-L301 VanDerWaalsContact O-N 3.15Å; Q298-L301 PolarHBondContact O-N 3.29Å; L301-I304 PolarHBondContact O-N 3.19Å; L301-F305 WeakPolarHBondContact O-CB 3.39Å; L301-F305 PolarHBondContact O-N 2.78Å
302I97.9Very high95.8Very high25 Ų2572.6 Ų72.613%0.12836%0.361CS..Hα-helixtrans-58.8-49.4173.4-69.2166.8000110.2Y28 L29 R32 H33 Q298 E300 I304Y28-I302 HydrophobicContact CE1-CD1 3.92Å; Y28-I302 HydrophobicContact CE1-CG1 4.11Å; L29-I302 HydrophobicContact CD2-CB 4.43Å; L29-I302 HydrophobicContact CD2-CG1 3.74Å; R32-I302 HydrophobicContact CB-CD1 4.3Å; R32-I302 HydrophobicContact CB-CG1 4.21Å; R32-I302 HydrophobicContact CB-CG2 3.54Å; H33-I302 WeakPolarHBondContact CB-O 2.96Å; H33-I302 PolarHBondContact ND1-O 3.36Å; Q298-I302 HydrophobicContact CG-CD1 4.14Å; Q298-I302 WeakPolarHBondContact O-CG1 3.26Å; Q298-I302 PolarHBondContact O-N 2.9Å; E300-I302 VanDerWaalsContact C-N 3.28Å; E300-I302 PolarHBondContact O-N 3.18Å; I302-I304 VanDerWaalsContact C-N 3.34Å; I302-I304 PolarHBondContact O-N 3.37Å
303K97.6Very high95.6Very high164 Ų16467.3 Ų67.371%0.71334%0.344SS*.Hα-helixtrans-64-36.4-176.7-177.8-175.3174.5-170.60113.1H33 D299 E300H33-K303 PolarHBondContact CE1-O 2.88Å; H33-K303 PolarHBondContact ND1-O 3.4Å; H33-K303 VanDerWaalsContact ND1-O 3.09Å; D299-K303 WeakPolarHBondContact O-CB 3.43Å; D299-K303 PolarHBondContact O-N 3.2Å; E300-K303 WeakPolarHBondContact O-CB 3.45Å; E300-K303 PolarHBondContact O-N 3.25Å
304I97.2Very high95.2Very high54 Ų5465.6 Ų65.628%0.27734%0.339SS..Hα-helixtrans-99.5-2.4-173.373.2-179.7000113.8W287 P289 F296 E300 L301 I302 D306W287-I304 HydrophobicContact CH2-CD1 3.95Å; W287-I304 HydrophobicContact CH2-CG1 3.78Å; W287-I304 HydrophobicContact CZ2-CG1 4.25Å; P289-I304 HydrophobicContact CB-CD1 3.82Å; F296-I304 HydrophobicContact CD1-CD1 4.13Å; F296-I304 HydrophobicContact CE1-CD1 4Å; E300-I304 HydrophobicContact CG-CD1 4.33Å; E300-I304 HydrophobicContact CG-CG2 4.27Å; E300-I304 VanDerWaalsContact O-CG1 3.3Å; E300-I304 WeakPolarHBondContact O-CG1 3.3Å; E300-I304 WeakPolarHBondContact O-CG2 3.33Å; E300-I304 PolarHBondContact O-N 3.29Å; L301-I304 PolarHBondContact O-N 3.19Å; I302-I304 VanDerWaalsContact C-N 3.34Å; I302-I304 PolarHBondContact O-N 3.37Å; I304-D306 PolarHBondContact O-N 2.95Å
305F97.5Very high94.8Very high2 Ų262.6 Ų62.61%0.00933%0.327CS..  trans-61.3119.2-177.9-172.1-99.6000111.7F26 L29 F30 H33 W287 L301 T307 L310F26-F305 HydrophobicContact CB-CZ 4.24Å; F26-F305 HydrophobicContact CD1-CE2 4.15Å; F26-F305 HydrophobicContact CG-CE2 4.35Å; F26-F305 HydrophobicContact CG-CZ 4.28Å; L29-F305 HydrophobicContact CB-CB 4Å; L29-F305 HydrophobicContact CB-CD1 3.96Å; L29-F305 HydrophobicContact CB-CD2 3.63Å; L29-F305 HydrophobicContact CB-CE1 4.34Å; L29-F305 HydrophobicContact CB-CE2 4.02Å; L29-F305 HydrophobicContact CB-CG 3.58Å; L29-F305 HydrophobicContact CB-CZ 4.36Å; L29-F305 HydrophobicContact CD1-CD2 3.6Å; L29-F305 HydrophobicContact CD1-CE2 3.91Å; L29-F305 HydrophobicContact CD1-CG 4.35Å; L29-F305 HydrophobicContact CG-CD2 4.22Å; F30-F305 HydrophobicContact CB-CD1 4.23Å; F30-F305 HydrophobicContact CB-CE1 3.78Å; F30-F305 HydrophobicContact CD2-CE1 4.16Å; F30-F305 HydrophobicContact CG-CE1 4.47Å; H33-F305 HydrophobicContact CB-CB 4.39Å; H33-F305 PolarHBondContact CD2-O 3.43Å; H33-F305 PolarHBondContact CE1-O 3.19Å; H33-F305 VanDerWaalsContact CE1-O 3.3Å; H33-F305 PolarHBondContact ND1-O 3.21Å; H33-F305 PolarHBondContact NE2-O 2.93Å; W287-F305 AromaticContact CD1-CE2 3.93Å; W287-F305 HydrophobicContact CD2-CD2 4.19Å; W287-F305 HydrophobicContact CD2-CE2 4.34Å; W287-F305 AromaticContact CE2-CD2 3.93Å; W287-F305 HydrophobicContact CG-CD2 4.38Å; W287-F305 HydrophobicContact CG-CE2 4.08Å; W287-F305 HydrophobicContact CZ2-CD2 4.35Å; W287-F305 AromaticContact NE1-CD2 3.94Å; L301-F305 WeakPolarHBondContact O-CB 3.39Å; L301-F305 PolarHBondContact O-N 2.78Å; F305-T307 HydrophobicContact CE1-CG2 4.14Å; F305-L310 HydrophobicContact CZ-CD2 4.33Å
306D94.8Very high94.2Very high63 Ų6362.3 Ų62.334%0.33733%0.332SS..  trans-129.9124-178.5179.13.6000109.9W287 I304 D308 R309W287-D306 PolarHBondContact NE1-O 3.39Å; I304-D306 PolarHBondContact O-N 2.95Å; D306-D308 VanDerWaalsContact C-N 3.25Å; D306-D308 PolarHBondContact O-N 3.39Å; D306-D308 WeakPolarHBondContact OD1-CB 3.32Å; D306-D308 PolarHBondContact OD1-N 2.68Å; D306-R309 HydrophobicContact CB-CG 4.29Å; D306-R309 PolarHBondContact O-N 3.44Å
307T93.3Very high93.8Very high26 Ų2662 Ų6216%0.1633%0.331CS..G310 helixtrans-66.7-25.7-179.448.30000113.1F30 M169 F305 R309 L310F30-T307 HydrophobicContact CD2-CG2 3.42Å; F30-T307 VanDerWaalsContact CD2-CG2 3.42Å; F30-T307 HydrophobicContact CE2-CG2 3.47Å; F30-T307 VanDerWaalsContact CE2-CG2 3.47Å; M169-T307 HydrophobicContact CE-CG2 4.26Å; M169-T307 HydrophobicContact SD-CG2 3.85Å; F305-T307 HydrophobicContact CE1-CG2 4.14Å; T307-R309 PolarHBondContact O-N 2.97Å; T307-R309 VanDerWaalsContact O-N 3.15Å; T307-L310 HydrophobicContact CG2-CD1 4.1Å; T307-L310 WeakPolarHBondContact O-CB 3.42Å; T307-L310 WeakPolarHBondContact O-CG 3.14Å; T307-L310 PolarHBondContact O-N 2.8Å; T307-L310 VanDerWaalsContact O-N 3.08Å
308D93.6Very high93.5Very high138 Ų13861.5 Ų61.574%0.73832%0.324SS*.G310 helixtrans-67.8-14.4177.8-69-8.7000111.9D306D306-D308 VanDerWaalsContact C-N 3.25Å; D306-D308 PolarHBondContact O-N 3.39Å; D306-D308 WeakPolarHBondContact OD1-CB 3.32Å; D306-D308 PolarHBondContact OD1-N 2.68Å
309R95Very high93.2Very high95 Ų9561.6 Ų61.636%0.35833%0.325SS..G310 helixtrans-100.79.2177.3-55.3-17165.484.31.8113.5S288 P289 D306 T307 S311S288-R309 PolarHBondContact N-O 2.72Å; S288-R309 WeakPolarHBondContact O-CB 3.49Å; S288-R309 WeakPolarHBondContact O-CD 3.17Å; S288-R309 PolarHBondContact O-NE 2.85Å; P289-R309 PolarHBondContact O-NE 3.3Å; P289-R309 PolarHBondContact O-NH2 3.16Å; D306-R309 HydrophobicContact CB-CG 4.29Å; D306-R309 PolarHBondContact O-N 3.44Å; T307-R309 PolarHBondContact O-N 2.97Å; T307-R309 VanDerWaalsContact O-N 3.15Å; R309-S311 PolarHBondContact O-N 3.47Å
310L94.9Very high92.9Very high15 Ų1563.2 Ų63.28%0.07933%0.326CS..BIsolated β-bridgetrans-68.2127.2168-70167.5000109.9F26 V170 W287 F305 T307F26-L310 HydrophobicContact CD2-CD2 3.58Å; F26-L310 HydrophobicContact CE2-CD2 3.47Å; F26-L310 VanDerWaalsContact CE2-CD2 3.47Å; F26-L310 HydrophobicContact CZ-CD2 4.31Å; V170-L310 HydrophobicContact CG1-CB 4.15Å; V170-L310 HydrophobicContact CG2-CB 3.91Å; V170-L310 HydrophobicContact CG2-CD1 3.67Å; V170-L310 HydrophobicContact CG2-CG 4.4Å; W287-L310 HydrophobicContact CB-CD2 4.15Å; F305-L310 HydrophobicContact CZ-CD2 4.33Å; T307-L310 HydrophobicContact CG2-CD1 4.1Å; T307-L310 WeakPolarHBondContact O-CB 3.42Å; T307-L310 WeakPolarHBondContact O-CG 3.14Å; T307-L310 PolarHBondContact O-N 2.8Å; T307-L310 VanDerWaalsContact O-N 3.08Å
311S92.3Very high92.7Very high40 Ų4062.4 Ų62.428%0.2832%0.321SS..  trans-76.9137.1-175.4-176.10000112T243 G286 R309 S313T243-S311 WeakPolarHBondContact CG2-O 3.07Å; G286-S311 WeakPolarHBondContact O-CB 3.43Å; G286-S311 PolarHBondContact O-N 2.84Å; R309-S311 PolarHBondContact O-N 3.47Å; S311-S313 VanDerWaalsContact C-N 3.3Å; S311-S313 PolarHBondContact OG-N 3.08Å; S311-S313 VanDerWaalsContact OG-N 3.08Å; S311-S313 PolarHBondContact OG-O 3.43Å
312K92Very high92.6Very high137 Ų13762.4 Ų62.460%0.59632%0.321SS*.SBendtrans-78-15.8168-70.2179.5178.4-179.20112.9V170 T243V170-K312 WeakPolarHBondContact O-CE 3.38Å; V170-K312 WeakPolarHBondContact O-CG 3.47Å; T243-K312 VanDerWaalsContact CG2-C 3.43Å; T243-K312 WeakPolarHBondContact CG2-O 3.27Å
313S89.9Confident92.6Very high76 Ų7663.8 Ų63.853%0.53133%0.327SS..SBendtrans-90.1147.4-178.8-61.80000111.8T243 S311 A315T243-S313 WeakPolarHBondContact CB-O 3.45Å; T243-S313 WeakPolarHBondContact CG2-O 3.41Å; T243-S313 PolarHBondContact OG1-O 2.55Å; S311-S313 VanDerWaalsContact C-N 3.3Å; S311-S313 PolarHBondContact OG-N 3.08Å; S311-S313 VanDerWaalsContact OG-N 3.08Å; S311-S313 PolarHBondContact OG-O 3.43Å; S313-A315 PolarHBondContact O-N 2.87Å
314P86.9Confident92.5Very high79 Ų7961.1 Ų61.151%0.51331%0.312SS..PPolyproline II helixtrans-55.3136.6174.2-23.833.8000112I246I246-P314 HydrophobicContact CD1-CB 4.02Å; I246-P314 HydrophobicContact CG1-CB 4.16Å; I246-P314 HydrophobicContact CG2-CB 3.9Å
315A87Confident92.6Very high9 Ų958.6 Ų58.67%0.07430%0.3CS..EExtended strand (participates in β ladder)trans-82.9128.5174.800000109.3L244 I245 I246 L285 S313L244-A315 PolarHBondContact O-N 3.19Å; I245-A315 CarbonylContact C-O 3.54Å; I245-A315 VanDerWaalsContact CA-O 3.29Å; I245-A315 WeakPolarHBondContact CA-O 3.46Å; I246-A315 WeakPolarHBondContact CG1-O 3.45Å; I246-A315 PolarHBondContact N-O 2.89Å; L285-A315 HydrophobicContact CB-CB 4.21Å; S313-A315 PolarHBondContact O-N 2.87Å
316A86.4Confident92.6Very high47 Ų4758.5 Ų58.539%0.38830%0.299SS..EExtended strand (participates in β ladder)trans-91.2126.2179.300000110.2I246 T248 D318I246-A316 HydrophobicContact CD1-CB 4.48Å; I246-A316 HydrophobicContact CG1-CB 4.15Å; T248-A316 HydrophobicContact CG2-CB 3.43Å; T248-A316 VanDerWaalsContact CG2-CB 3.43Å; A316-D318 PolarHBondContact O-N 3.26Å
317F88.5Confident92.8Very high2 Ų256.2 Ų56.21%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-79.4114.4173-177.9-94.5000109.4I18 I245 I246 T248 L254 I261 Y268 F281 Q319 L322I18-F317 HydrophobicContact CD1-CD2 3.86Å; I18-F317 HydrophobicContact CD1-CE2 3.25Å; I18-F317 HydrophobicContact CD1-CZ 3.91Å; I18-F317 HydrophobicContact CG2-CD2 4.44Å; I245-F317 HydrophobicContact CG2-CB 3.75Å; I246-F317 PolarHBondContact O-N 3.28Å; T248-F317 VanDerWaalsContact CG2-O 3.26Å; T248-F317 WeakPolarHBondContact CG2-O 3.41Å; T248-F317 PolarHBondContact OG1-O 3.15Å; L254-F317 HydrophobicContact CD2-CB 4.44Å; L254-F317 HydrophobicContact CD2-CG 4.42Å; I261-F317 HydrophobicContact CG2-CD1 3.95Å; I261-F317 HydrophobicContact CG2-CE1 3.59Å; Y268-F317 WeakPolarHBondContact OH-CZ 3.39Å; F281-F317 AromaticContact CE1-CD2 3.8Å; F281-F317 HydrophobicContact CE1-CD2 3.8Å; F281-F317 AromaticContact CE1-CE2 3.5Å; F281-F317 HydrophobicContact CE1-CE2 3.5Å; F281-F317 VanDerWaalsContact CE1-CE2 3.5Å; F281-F317 HydrophobicContact CZ-CD2 4Å; F281-F317 AromaticContact CZ-CE2 3.86Å; F281-F317 HydrophobicContact CZ-CE2 3.86Å; F317-Q319 HydrophobicContact CE1-CB 4.15Å; F317-L322 HydrophobicContact CE2-CD2 4.4Å; F317-L322 HydrophobicContact CZ-CD2 4.18Å
318D88.6Confident93Very high62 Ų6259 Ų5933%0.33230%0.298SS..  trans-117.4108.8178.4-175.6-24.6000109.8T248 A316 K320 K321 L322T248-D318 HydrophobicContact CG2-CB 4.41Å; A316-D318 PolarHBondContact O-N 3.26Å; D318-K320 WeakPolarHBondContact OD1-CB 3.41Å; D318-K320 PolarHBondContact OD1-N 2.97Å; D318-K321 HydrophobicContact CB-CB 3.83Å; D318-K321 PolarHBondContact O-N 3.12Å; D318-K321 PolarHBondContact OD1-N 3.24Å; D318-L322 PolarHBondContact O-N 3.25Å
319Q89.8Confident93.2Very high48 Ų4854.1 Ų54.122%0.22427%0.269CS..Hα-helixtrans-64-38-179.1179.361.631.300112.3Y268 Y273 F317 K321 L322 E323Y268-Q319 PolarHBondContact OH-OE1 3.47Å; Y273-Q319 PolarHBondContact OH-NE2 2.96Å; F317-Q319 HydrophobicContact CE1-CB 4.15Å; Q319-K321 VanDerWaalsContact C-N 3.32Å; Q319-K321 PolarHBondContact O-N 3.25Å; Q319-L322 PolarHBondContact O-N 2.8Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.39Å; Q319-E323 PolarHBondContact NE2-OE1 3.05Å; Q319-E323 WeakPolarHBondContact O-CG 3.4Å; Q319-E323 PolarHBondContact O-N 2.83Å
320K92.3Very high93.4Very high163 Ų16349.7 Ų49.771%0.70925%0.252SS*.Hα-helixtrans-68.4-36.5178.4-66.9-177.7178.1178.50111.1D318 E323 W324D318-K320 WeakPolarHBondContact OD1-CB 3.41Å; D318-K320 PolarHBondContact OD1-N 2.97Å; K320-E323 PolarHBondContact O-N 3.36Å; K320-W324 WeakPolarHBondContact O-CB 3.37Å; K320-W324 PolarHBondContact O-N 2.92Å
321K93.8Very high93.5Very high66 Ų6653.7 Ų53.729%0.28727%0.269SS..Hα-helixtrans-64.3-43.1173.3-174.6170.5-175.6171.70111.2F281 E294 D318 Q319 W324 V325F281-K321 HydrophobicContact CD2-CG 4.5Å; F281-K321 HydrophobicContact CE2-CB 4.2Å; F281-K321 HydrophobicContact CE2-CG 4.16Å; E294-K321 VanDerWaalsContact OE1-CE 3.26Å; E294-K321 WeakPolarHBondContact OE1-CE 3.33Å; E294-K321 IonicContact OE1-NZ 3.82Å; E294-K321 PolarHBondContact OE1-NZ 3.37Å; E294-K321 IonicContact OE2-NZ 3.46Å; D318-K321 HydrophobicContact CB-CB 3.83Å; D318-K321 PolarHBondContact O-N 3.12Å; D318-K321 PolarHBondContact OD1-N 3.24Å; Q319-K321 VanDerWaalsContact C-N 3.32Å; Q319-K321 PolarHBondContact O-N 3.25Å; K321-W324 PolarHBondContact O-N 3.09Å; K321-V325 WeakPolarHBondContact O-CG2 3.46Å; K321-V325 PolarHBondContact O-N 3.08Å
322L95.6Very high93.7Very high0 Ų056 Ų560%029%0.291CS..Hα-helixtrans-60.8-44.9175172.358.4000111.8Y268 Y273 M278 F281 F317 D318 Q319 W324 V325 N326Y268-L322 HydrophobicContact CD1-CD2 3.91Å; Y268-L322 HydrophobicContact CE1-CD2 3.37Å; Y273-L322 HydrophobicContact CD1-CD1 4.29Å; Y273-L322 HydrophobicContact CD1-CG 4.26Å; Y273-L322 HydrophobicContact CE1-CD1 4.29Å; Y273-L322 HydrophobicContact CE1-CD2 4.1Å; Y273-L322 HydrophobicContact CE1-CG 3.79Å; M278-L322 HydrophobicContact CE-CD2 4.44Å; M278-L322 HydrophobicContact SD-CD1 3.61Å; M278-L322 HydrophobicContact SD-CD2 3.96Å; M278-L322 HydrophobicContact SD-CG 4.36Å; F281-L322 HydrophobicContact CB-CD1 3.71Å; F281-L322 HydrophobicContact CD1-CB 4.24Å; F281-L322 HydrophobicContact CD1-CD1 3.82Å; F281-L322 HydrophobicContact CD1-CD2 4.49Å; F281-L322 HydrophobicContact CD1-CG 4.38Å; F281-L322 HydrophobicContact CD2-CB 3.85Å; F281-L322 HydrophobicContact CD2-CD1 4.14Å; F281-L322 HydrophobicContact CE1-CB 4.14Å; F281-L322 HydrophobicContact CE1-CD1 4.49Å; F281-L322 HydrophobicContact CE1-CD2 4.48Å; F281-L322 HydrophobicContact CE2-CB 3.74Å; F281-L322 HydrophobicContact CG-CB 4.1Å; F281-L322 HydrophobicContact CG-CD1 3.61Å; F281-L322 HydrophobicContact CG-CG 4.37Å; F281-L322 HydrophobicContact CZ-CB 3.88Å; F317-L322 HydrophobicContact CE2-CD2 4.4Å; F317-L322 HydrophobicContact CZ-CD2 4.18Å; D318-L322 PolarHBondContact O-N 3.25Å; Q319-L322 PolarHBondContact O-N 2.8Å; L322-W324 VanDerWaalsContact C-N 3.33Å; L322-W324 PolarHBondContact O-N 2.77Å; L322-V325 PolarHBondContact O-N 2.61Å; L322-N326 WeakPolarHBondContact O-CB 3.3Å; L322-N326 PolarHBondContact O-N 3.19Å
323E96.5Very high94Very high53 Ų5351.6 Ų51.625%0.24827%0.273CS..Hα-helixtrans-58.5-44.4174.2-76.5162.7-16500111.9Y273 Q319 K320 N326 N327Y273-E323 WeakPolarHBondContact OH-CG 3.2Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.39Å; Q319-E323 PolarHBondContact NE2-OE1 3.05Å; Q319-E323 WeakPolarHBondContact O-CG 3.4Å; Q319-E323 PolarHBondContact O-N 2.83Å; K320-E323 PolarHBondContact O-N 3.36Å; E323-N326 PolarHBondContact O-N 3.44Å; E323-N327 VanDerWaalsContact O-CB 3.25Å; E323-N327 WeakPolarHBondContact O-CB 3.29Å; E323-N327 PolarHBondContact O-N 3.39Å
324W97.5Very high94.4Very high109 Ų10952 Ų5241%0.41327%0.269SS..Hα-helixtrans-61.5-45.2175.8174.883.1000112.5E294 I295 K320 K321 L322 N327 H328E294-W324 HydrophobicContact CB-CH2 4.23Å; E294-W324 HydrophobicContact CB-CZ3 4.03Å; I295-W324 HydrophobicContact CD1-CE3 4.42Å; I295-W324 HydrophobicContact CD1-CH2 3.93Å; I295-W324 HydrophobicContact CD1-CZ3 3.7Å; I295-W324 HydrophobicContact CG1-CH2 3.95Å; I295-W324 HydrophobicContact CG1-CZ3 4.23Å; K320-W324 WeakPolarHBondContact O-CB 3.37Å; K320-W324 PolarHBondContact O-N 2.92Å; K321-W324 PolarHBondContact O-N 3.09Å; L322-W324 VanDerWaalsContact C-N 3.33Å; L322-W324 PolarHBondContact O-N 2.77Å; W324-N327 PolarHBondContact O-N 2.88Å; W324-H328 AromaticContact CZ2-CD2 3.82Å; W324-H328 PolarHBondContact O-N 3.16Å; W324-H328 VanDerWaalsContact O-N 3.13Å
325V97.9Very high94.9Very high1 Ų150.2 Ų50.21%0.00626%0.255CS..Hα-helixtrans-59.3-52.5174.7173.20000109.2A277 N280 F281 I295 K321 L322 N327 H328 Y329A277-V325 HydrophobicContact CB-CG1 4.24Å; N280-V325 HydrophobicContact CB-CG1 4.4Å; F281-V325 HydrophobicContact CB-CG1 4.44Å; F281-V325 HydrophobicContact CD2-CG2 4.41Å; I295-V325 HydrophobicContact CD1-CB 4.29Å; I295-V325 HydrophobicContact CD1-CG1 4.02Å; I295-V325 HydrophobicContact CD1-CG2 4.11Å; K321-V325 WeakPolarHBondContact O-CG2 3.46Å; K321-V325 PolarHBondContact O-N 3.08Å; L322-V325 PolarHBondContact O-N 2.61Å; V325-N327 VanDerWaalsContact C-N 3.33Å; V325-N327 PolarHBondContact O-N 3.5Å; V325-H328 VanDerWaalsContact O-CB 3.24Å; V325-H328 WeakPolarHBondContact O-CB 3.5Å; V325-H328 PolarHBondContact O-N 2.83Å; V325-Y329 HydrophobicContact CG1-CD2 4.15Å; V325-Y329 HydrophobicContact CG1-CE2 3.9Å; V325-Y329 VanDerWaalsContact O-CD2 3.32Å; V325-Y329 WeakPolarHBondContact O-CD2 3.12Å; V325-Y329 PolarHBondContact O-N 3.2Å
326N98.4Very high95.4Very high0 Ų053.6 Ų53.60%027%0.272CS..Hα-helixtrans-63.6-37.3-176.9-154.390.4000112.7Y273 L274 A277 L322 E323 H328 Y329 I330 S376Y273-N326 HydrophobicContact CD1-CB 3.69Å; Y273-N326 VanDerWaalsContact CD1-CG 3.43Å; Y273-N326 WeakPolarHBondContact CD1-OD1 3.45Å; Y273-N326 HydrophobicContact CE1-CB 3.93Å; L274-N326 PolarHBondContact N-OD1 2.6Å; A277-N326 HydrophobicContact CB-CB 3.98Å; A277-N326 WeakPolarHBondContact CB-OD1 3.18Å; L322-N326 WeakPolarHBondContact O-CB 3.3Å; L322-N326 PolarHBondContact O-N 3.19Å; E323-N326 PolarHBondContact O-N 3.44Å; N326-H328 VanDerWaalsContact C-N 3.27Å; N326-H328 PolarHBondContact O-N 2.9Å; N326-Y329 PolarHBondContact O-N 3.35Å; N326-Y329 VanDerWaalsContact O-N 3.14Å; N326-I330 WeakPolarHBondContact O-CG1 3.47Å; N326-I330 PolarHBondContact O-N 2.8Å; N326-S376 WeakPolarHBondContact CB-O 3.43Å; N326-S376 PolarHBondContact ND2-O 2.84Å
327N98.3Very high95.9Very high14 Ų1458.2 Ų58.28%0.07528%0.283CS..Hα-helixtrans-57.7-39.9171.8175.1-106.2000111.9E323 W324 V325 Y329 I330 K331 P373 M375E323-N327 VanDerWaalsContact O-CB 3.25Å; E323-N327 WeakPolarHBondContact O-CB 3.29Å; E323-N327 PolarHBondContact O-N 3.39Å; W324-N327 PolarHBondContact O-N 2.88Å; V325-N327 VanDerWaalsContact C-N 3.33Å; V325-N327 PolarHBondContact O-N 3.5Å; N327-Y329 VanDerWaalsContact C-N 3.29Å; N327-Y329 PolarHBondContact O-N 3.47Å; N327-I330 PolarHBondContact O-N 3.03Å; N327-K331 WeakPolarHBondContact O-CB 3.32Å; N327-K331 VanDerWaalsContact O-CG 3.3Å; N327-K331 WeakPolarHBondContact O-CG 3.25Å; N327-K331 PolarHBondContact O-N 2.84Å; N327-K331 WeakPolarHBondContact OD1-CD 3.43Å; N327-K331 WeakPolarHBondContact OD1-CE 3.1Å; N327-K331 PolarHBondContact OD1-NZ 3.39Å; N327-P373 PolarHBondContact ND2-O 2.82Å; N327-M375 PolarHBondContact ND2-O 3.29Å
328H98.1Very high96.4Very high84 Ų8458.1 Ų58.139%0.38928%0.283SS..Hα-helixtrans-61-39.6177.2-132.4-55.8000112.1I295 W324 V325 N326 A332I295-H328 HydrophobicContact CD1-CB 3.96Å; I295-H328 HydrophobicContact CG1-CB 4.31Å; W324-H328 AromaticContact CZ2-CD2 3.82Å; W324-H328 PolarHBondContact O-N 3.16Å; W324-H328 VanDerWaalsContact O-N 3.13Å; V325-H328 VanDerWaalsContact O-CB 3.24Å; V325-H328 WeakPolarHBondContact O-CB 3.5Å; V325-H328 PolarHBondContact O-N 2.83Å; N326-H328 VanDerWaalsContact C-N 3.27Å; N326-H328 PolarHBondContact O-N 2.9Å; H328-A332 PolarHBondContact O-N 3.11Å
329Y98.2Very high96.9Very high37 Ų3755.5 Ų55.515%0.14527%0.269CS..Hα-helixtrans-73.5-41.3175.4-76.1-95.7000112.5E276 A277 N280 I295 F296 V325 N326 N327 K331 A332 M333E276-Y329 HydrophobicContact CB-CD1 3.87Å; E276-Y329 HydrophobicContact CB-CE1 3.64Å; A277-Y329 HydrophobicContact CB-CD2 3.51Å; A277-Y329 HydrophobicContact CB-CE2 4.07Å; A277-Y329 HydrophobicContact CB-CG 3.83Å; N280-Y329 HydrophobicContact CB-CE2 4.18Å; N280-Y329 WeakPolarHBondContact CB-OH 3.46Å; N280-Y329 WeakPolarHBondContact OD1-CE2 3.38Å; N280-Y329 PolarHBondContact OD1-OH 2.9Å; I295-Y329 HydrophobicContact CG2-CE2 3.99Å; F296-Y329 PolarHBondContact O-OH 3.41Å; V325-Y329 HydrophobicContact CG1-CD2 4.15Å; V325-Y329 HydrophobicContact CG1-CE2 3.9Å; V325-Y329 VanDerWaalsContact O-CD2 3.32Å; V325-Y329 WeakPolarHBondContact O-CD2 3.12Å; V325-Y329 PolarHBondContact O-N 3.2Å; N326-Y329 PolarHBondContact O-N 3.35Å; N326-Y329 VanDerWaalsContact O-N 3.14Å; N327-Y329 VanDerWaalsContact C-N 3.29Å; N327-Y329 PolarHBondContact O-N 3.47Å; Y329-K331 VanDerWaalsContact C-N 3.33Å; Y329-K331 PolarHBondContact O-N 3.27Å; Y329-A332 PolarHBondContact O-N 3.24Å; Y329-A332 VanDerWaalsContact O-N 3.15Å; Y329-M333 PolarHBondContact O-N 3.48Å
330I98.2Very high97.2Very high1 Ų158 Ų581%0.00528%0.281CS..Hα-helixtrans-60.5-42.7176.4-70.4-74.5000111L274 N326 N327 A332 M333 L338 Q372 M375L274-I330 HydrophobicContact CD1-CD1 3.7Å; L274-I330 HydrophobicContact CD1-CG1 3.95Å; L274-I330 HydrophobicContact CD2-CD1 4.09Å; L274-I330 HydrophobicContact CG-CD1 3.83Å; L274-I330 HydrophobicContact CG-CG1 4.3Å; N326-I330 WeakPolarHBondContact O-CG1 3.47Å; N326-I330 PolarHBondContact O-N 2.8Å; N327-I330 PolarHBondContact O-N 3.03Å; I330-A332 VanDerWaalsContact C-N 3.28Å; I330-A332 PolarHBondContact O-N 2.86Å; I330-M333 WeakPolarHBondContact O-CB 3.46Å; I330-M333 PolarHBondContact O-N 2.93Å; I330-L338 HydrophobicContact CD1-CD1 3.76Å; I330-L338 HydrophobicContact CG2-CD1 4.15Å; I330-L338 HydrophobicContact CG2-CD2 4.02Å; I330-Q372 HydrophobicContact CG2-CG 4.4Å; I330-Q372 PolarHBondContact O-NE2 2.91Å; I330-M375 HydrophobicContact CG2-CB 4.28Å
331K97.5Very high97.5Very high100 Ų10052.9 Ų52.944%0.43526%0.261SS..Hα-helixtrans-59.7-37.3174.7-80.2171.5173.7164.10113.3N327 Y329 Q372 P373N327-K331 WeakPolarHBondContact O-CB 3.32Å; N327-K331 VanDerWaalsContact O-CG 3.3Å; N327-K331 WeakPolarHBondContact O-CG 3.25Å; N327-K331 PolarHBondContact O-N 2.84Å; N327-K331 WeakPolarHBondContact OD1-CD 3.43Å; N327-K331 WeakPolarHBondContact OD1-CE 3.1Å; N327-K331 PolarHBondContact OD1-NZ 3.39Å; Y329-K331 VanDerWaalsContact C-N 3.33Å; Y329-K331 PolarHBondContact O-N 3.27Å; K331-Q372 PolarHBondContact O-NE2 3.17Å; K331-P373 WeakPolarHBondContact CE-O 3.5Å; K331-P373 PolarHBondContact NZ-O 2.62Å
332A96.7Very high97.7Very high88 Ų8849.8 Ų49.873%0.72725%0.247SC*.Hα-helixtrans-84.2-14.4-17900000113.1H328 Y329 I330H328-A332 PolarHBondContact O-N 3.11Å; Y329-A332 PolarHBondContact O-N 3.24Å; Y329-A332 VanDerWaalsContact O-N 3.15Å; I330-A332 VanDerWaalsContact C-N 3.28Å; I330-A332 PolarHBondContact O-N 2.86Å
333M97.3Very high97.8Very high45 Ų4550.3 Ų50.322%0.22225%0.25CC..SBendtrans-67.7141.8-178.9-177.3169.3-87.700111.4L274 Y329 I330 L335 K337 L338 Q372L274-M333 HydrophobicContact CD1-CE 3.75Å; L274-M333 HydrophobicContact CD1-SD 4.46Å; L274-M333 HydrophobicContact CD2-CE 3.48Å; L274-M333 VanDerWaalsContact CD2-CE 3.48Å; L274-M333 HydrophobicContact CD2-SD 4.24Å; L274-M333 HydrophobicContact CG-CE 4.26Å; Y329-M333 PolarHBondContact O-N 3.48Å; I330-M333 WeakPolarHBondContact O-CB 3.46Å; I330-M333 PolarHBondContact O-N 2.93Å; M333-L335 PolarHBondContact O-N 3.39Å; M333-K337 HydrophobicContact CG-CB 4.17Å; M333-K337 HydrophobicContact SD-CB 4.27Å; M333-L338 HydrophobicContact CG-CB 4.2Å; M333-L338 HydrophobicContact SD-CB 4.08Å; M333-L338 HydrophobicContact SD-CD1 4.34Å; M333-Q372 PolarHBondContact O-NE2 3.26Å
334D98Very high97.9Very high83 Ų8351.3 Ų51.344%0.44426%0.261SS..  trans-56.4133.8170170.9-104.4000111.1D336 K337 L338D334-D336 VanDerWaalsContact C-N 3.31Å; D334-D336 PolarHBondContact O-N 2.82Å; D334-D336 WeakPolarHBondContact OD1-CB 3.44Å; D334-D336 PolarHBondContact OD1-N 3.45Å; D334-D336 VanDerWaalsContact OD1-N 3.15Å; D334-K337 HydrophobicContact CB-CB 4.37Å; D334-K337 HydrophobicContact CB-CD 4.29Å; D334-K337 HydrophobicContact CB-CG 4.28Å; D334-K337 PolarHBondContact O-N 2.81Å; D334-K337 PolarHBondContact OD1-N 2.85Å; D334-L338 PolarHBondContact O-N 3.37Å
335L98Very high97.9Very high42 Ų4248.2 Ų48.222%0.2225%0.25CC..Hα-helixtrans-65.3-33.7-172.2179.362000112.3M333 L338 T339 K365 V368M333-L335 PolarHBondContact O-N 3.39Å; L335-L338 PolarHBondContact O-N 2.73Å; L335-T339 VanDerWaalsContact O-CB 3.31Å; L335-T339 WeakPolarHBondContact O-CB 3.4Å; L335-T339 PolarHBondContact O-N 2.84Å; L335-T339 PolarHBondContact O-OG1 3.45Å; L335-K365 HydrophobicContact CD2-CD 4.41Å; L335-K365 HydrophobicContact CD2-CG 3.85Å; L335-K365 HydrophobicContact CG-CD 4.49Å; L335-K365 HydrophobicContact CG-CG 3.86Å; L335-V368 HydrophobicContact CD1-CB 4.39Å; L335-V368 HydrophobicContact CD1-CG1 3.86Å
336D98Very high97.9Very high81 Ų8148.2 Ų48.243%0.43325%0.25SC..Hα-helixtrans-65.7-45.3176.1-73-63.7000110.8D334 L338 T339 E340 K365D334-D336 VanDerWaalsContact C-N 3.31Å; D334-D336 PolarHBondContact O-N 2.82Å; D334-D336 WeakPolarHBondContact OD1-CB 3.44Å; D334-D336 PolarHBondContact OD1-N 3.45Å; D334-D336 VanDerWaalsContact OD1-N 3.15Å; D336-L338 PolarHBondContact O-N 2.94Å; D336-T339 PolarHBondContact O-N 3.09Å; D336-E340 PolarHBondContact O-N 2.91Å; D336-K365 WeakPolarHBondContact OD1-CE 3.12Å; D336-K365 IonicContact OD1-NZ 3.81Å; D336-K365 PolarHBondContact OD1-NZ 3.14Å; D336-K365 IonicContact OD2-NZ 2.9Å; D336-K365 PolarHBondContact OD2-NZ 3.02Å
337K97.8Very high97.9Very high143 Ų14350.5 Ų50.562%0.62226%0.261SS*.Hα-helixtrans-61.2-44.5174.4-68.2-175.8-178.8-179.20112.6M333 D334 T339 E340 L341M333-K337 HydrophobicContact CG-CB 4.17Å; M333-K337 HydrophobicContact SD-CB 4.27Å; D334-K337 HydrophobicContact CB-CB 4.37Å; D334-K337 HydrophobicContact CB-CD 4.29Å; D334-K337 HydrophobicContact CB-CG 4.28Å; D334-K337 PolarHBondContact O-N 2.81Å; D334-K337 PolarHBondContact OD1-N 2.85Å; K337-T339 VanDerWaalsContact C-N 3.29Å; K337-T339 PolarHBondContact O-N 2.81Å; K337-E340 PolarHBondContact O-N 2.88Å; K337-L341 PolarHBondContact O-N 3.34Å
338L98.2Very high97.8Very high0 Ų058.9 Ų58.90%030%0.297CS..Hα-helixtrans-63.6-38.4177.8-179.560.3000111.3I330 M333 D334 L335 D336 L341 C342 V368 Q372 M375I330-L338 HydrophobicContact CD1-CD1 3.76Å; I330-L338 HydrophobicContact CG2-CD1 4.15Å; I330-L338 HydrophobicContact CG2-CD2 4.02Å; M333-L338 HydrophobicContact CG-CB 4.2Å; M333-L338 HydrophobicContact SD-CB 4.08Å; M333-L338 HydrophobicContact SD-CD1 4.34Å; D334-L338 PolarHBondContact O-N 3.37Å; L335-L338 PolarHBondContact O-N 2.73Å; D336-L338 PolarHBondContact O-N 2.94Å; L338-L341 WeakPolarHBondContact O-CB 3.32Å; L338-L341 PolarHBondContact O-N 3.06Å; L338-C342 WeakPolarHBondContact O-CB 3.5Å; L338-C342 PolarHBondContact O-N 2.84Å; L338-C342 PolarHBondContact O-SG 2.88Å; L338-V368 HydrophobicContact CB-CG1 4.46Å; L338-V368 HydrophobicContact CD2-CG1 3.79Å; L338-V368 HydrophobicContact CG-CG1 3.76Å; L338-Q372 HydrophobicContact CD2-CB 3.8Å; L338-Q372 HydrophobicContact CD2-CG 3.51Å; L338-M375 HydrophobicContact CD2-CE 4.12Å
339T98.2Very high97.7Very high8 Ų857.3 Ų57.35%0.04930%0.299CS..Hα-helixtrans-62.2-46.9177.1-600000111.1L335 D336 K337 L341 C342 L343 V364 K365L335-T339 VanDerWaalsContact O-CB 3.31Å; L335-T339 WeakPolarHBondContact O-CB 3.4Å; L335-T339 PolarHBondContact O-N 2.84Å; L335-T339 PolarHBondContact O-OG1 3.45Å; D336-T339 PolarHBondContact O-N 3.09Å; K337-T339 VanDerWaalsContact C-N 3.29Å; K337-T339 PolarHBondContact O-N 2.81Å; T339-L341 VanDerWaalsContact C-N 3.26Å; T339-L341 PolarHBondContact O-N 3.45Å; T339-C342 PolarHBondContact O-N 2.82Å; T339-L343 WeakPolarHBondContact O-CB 3.48Å; T339-L343 PolarHBondContact O-N 3.41Å; T339-V364 HydrophobicContact CG2-CG1 4.09Å; T339-K365 HydrophobicContact CG2-CB 3.98Å
340E97.5Very high97.6Very high101 Ų10158.8 Ų58.847%0.47233%0.326SS..Hα-helixtrans-65.1-30.3176-68.7-65.6164.200112D336 K337 P344 K361D336-E340 PolarHBondContact O-N 2.91Å; K337-E340 PolarHBondContact O-N 2.88Å; E340-P344 WeakPolarHBondContact O-CD 3.29Å; E340-K361 IonicContact OE1-NZ 3.82Å; E340-K361 PolarHBondContact OE1-NZ 2.86Å; E340-K361 IonicContact OE2-NZ 2.65Å
341L97.5Very high97.5Very high55 Ų5561.2 Ų61.229%0.28834%0.336SS..Hα-helixtrans-71.2-38.4173.3-173.365.6000112.6L274 K337 L338 T339 Y345 A378L274-L341 HydrophobicContact CD2-CD2 3.6Å; K337-L341 PolarHBondContact O-N 3.34Å; L338-L341 WeakPolarHBondContact O-CB 3.32Å; L338-L341 PolarHBondContact O-N 3.06Å; T339-L341 VanDerWaalsContact C-N 3.26Å; T339-L341 PolarHBondContact O-N 3.45Å; L341-Y345 VanDerWaalsContact O-CD2 3.26Å; L341-Y345 WeakPolarHBondContact O-CD2 3.26Å; L341-Y345 WeakPolarHBondContact O-CE2 3.29Å; L341-A378 HydrophobicContact CD2-CB 3.81Å; L341-A378 HydrophobicContact CG-CB 3.66Å
342C98.4Very high97.5Very high0 Ų056.8 Ų56.80%032%0.317CS..Hα-helixtrans-75.4-30.8179.3-78.70000113.5L338 T339 Y345 L346 V368 I381L338-C342 WeakPolarHBondContact O-CB 3.5Å; L338-C342 PolarHBondContact O-N 2.84Å; L338-C342 PolarHBondContact O-SG 2.88Å; T339-C342 PolarHBondContact O-N 2.82Å; C342-Y345 WeakPolarHBondContact O-CB 3.44Å; C342-Y345 PolarHBondContact O-N 3.08Å; C342-Y345 VanDerWaalsContact O-N 3.12Å; C342-L346 PolarHBondContact O-N 2.81Å; C342-V368 HydrophobicContact CB-CG2 3.96Å; C342-I381 HydrophobicContact CB-CB 4.24Å; C342-I381 HydrophobicContact CB-CG1 4.22Å; C342-I381 HydrophobicContact CB-CG2 3.92Å
343L97.9Very high97.4Very high11 Ų1156.6 Ų56.66%0.05830%0.301CS..Hα-helixtrans-57.3-44.6-170.8-175.964000114.2T339 Y345 L346 I347 V352 P356 V364T339-L343 WeakPolarHBondContact O-CB 3.48Å; T339-L343 PolarHBondContact O-N 3.41Å; L343-Y345 PolarHBondContact O-N 3.43Å; L343-L346 PolarHBondContact O-N 3.45Å; L343-I347 HydrophobicContact CD1-CD1 4.19Å; L343-I347 HydrophobicContact CD1-CG1 4.3Å; L343-I347 HydrophobicContact CD2-CD1 4.42Å; L343-I347 HydrophobicContact CG-CD1 3.82Å; L343-I347 HydrophobicContact CG-CG1 4.37Å; L343-I347 WeakPolarHBondContact O-CG1 3.41Å; L343-I347 PolarHBondContact O-N 3.02Å; L343-V352 HydrophobicContact CD1-CB 4.38Å; L343-V352 HydrophobicContact CD1-CG1 3.86Å; L343-P356 HydrophobicContact CD1-CG 4.21Å; L343-P356 HydrophobicContact CD2-CG 4.04Å; L343-V364 HydrophobicContact CD1-CG1 4.37Å; L343-V364 HydrophobicContact CD1-CG2 4.5Å
344P97.8Very high97.3Very high75 Ų7561.8 Ų61.849%0.48733%0.325SS..Hα-helixtrans-57.8-33.7177.3-26.535.6000113.8E340 K348E340-P344 WeakPolarHBondContact O-CD 3.29Å; P344-K348 VanDerWaalsContact O-CB 3.29Å; P344-K348 WeakPolarHBondContact O-CB 3.25Å; P344-K348 PolarHBondContact O-N 3.34Å
345Y98.2Very high97.2Very high44 Ų4464.3 Ų64.317%0.17334%0.339CS..Hα-helixtrans-70.4-42.8178.6-60.5-79.4000111.8E270 G272 L341 C342 L343 I347 K348 A349 A378 A379 T382E270-Y345 WeakPolarHBondContact O-CE1 3.29Å; E270-Y345 PolarHBondContact O-OH 3.12Å; G272-Y345 VanDerWaalsContact CA-OH 3.25Å; G272-Y345 WeakPolarHBondContact CA-OH 3.4Å; G272-Y345 PolarHBondContact N-OH 3.36Å; L341-Y345 VanDerWaalsContact O-CD2 3.26Å; L341-Y345 WeakPolarHBondContact O-CD2 3.26Å; L341-Y345 WeakPolarHBondContact O-CE2 3.29Å; C342-Y345 WeakPolarHBondContact O-CB 3.44Å; C342-Y345 PolarHBondContact O-N 3.08Å; C342-Y345 VanDerWaalsContact O-N 3.12Å; L343-Y345 PolarHBondContact O-N 3.43Å; Y345-I347 VanDerWaalsContact C-N 3.34Å; Y345-K348 PolarHBondContact O-N 3.19Å; Y345-A349 VanDerWaalsContact O-CB 3.31Å; Y345-A349 WeakPolarHBondContact O-CB 3.35Å; Y345-A349 PolarHBondContact O-N 2.95Å; Y345-A378 HydrophobicContact CD2-CB 4.09Å; Y345-A378 HydrophobicContact CE2-CB 3.7Å; Y345-A379 HydrophobicContact CD1-CB 3.59Å; Y345-A379 HydrophobicContact CE1-CB 3.66Å; Y345-A379 HydrophobicContact CG-CB 4.18Å; Y345-T382 WeakPolarHBondContact O-CG2 3.23Å
346L98.2Very high97.1Very high0 Ų063.1 Ų63.10%033%0.333CS..Hα-helixtrans-64.3-40.1175.7-68.2172.5000111.6C342 L343 A349 G350 K351 V352 V364 I381 T382 F389C342-L346 PolarHBondContact O-N 2.81Å; L343-L346 PolarHBondContact O-N 3.45Å; L346-A349 PolarHBondContact O-N 2.99Å; L346-G350 PolarHBondContact O-N 2.94Å; L346-K351 HydrophobicContact CB-CB 4.39Å; L346-K351 HydrophobicContact CD2-CB 4.15Å; L346-K351 HydrophobicContact CD2-CD 4.08Å; L346-K351 WeakPolarHBondContact O-CB 3.46Å; L346-K351 PolarHBondContact O-N 3.01Å; L346-V352 HydrophobicContact CB-CB 4.18Å; L346-V352 HydrophobicContact CB-CG2 3.79Å; L346-V352 HydrophobicContact CD1-CG2 4.18Å; L346-V352 PolarHBondContact O-N 3.23Å; L346-V364 HydrophobicContact CD1-CG1 3.65Å; L346-I381 HydrophobicContact CD1-CG1 4.22Å; L346-I381 HydrophobicContact CD2-CG1 4.23Å; L346-I381 HydrophobicContact CD2-CG2 4.07Å; L346-I381 HydrophobicContact CG-CG1 4.37Å; L346-I381 HydrophobicContact CG-CG2 3.95Å; L346-T382 HydrophobicContact CD2-CG2 4.36Å; L346-F389 HydrophobicContact CD1-CZ 4.43Å; L346-F389 HydrophobicContact CD2-CE2 4.07Å; L346-F389 HydrophobicContact CD2-CZ 3.98Å
347I97.6Very high97Very high48 Ų4862.5 Ų62.525%0.24633%0.332CS..Hα-helixtrans-63-50.6175.4-66.8170.1000110.5L343 Y345 A349 G350 V352 E353 E354L343-I347 HydrophobicContact CD1-CD1 4.19Å; L343-I347 HydrophobicContact CD1-CG1 4.3Å; L343-I347 HydrophobicContact CD2-CD1 4.42Å; L343-I347 HydrophobicContact CG-CD1 3.82Å; L343-I347 HydrophobicContact CG-CG1 4.37Å; L343-I347 WeakPolarHBondContact O-CG1 3.41Å; L343-I347 PolarHBondContact O-N 3.02Å; Y345-I347 VanDerWaalsContact C-N 3.34Å; I347-A349 PolarHBondContact O-N 3.14Å; I347-G350 PolarHBondContact O-N 3.03Å; I347-V352 WeakPolarHBondContact CA-O 3.41Å; I347-V352 HydrophobicContact CG1-CB 4.2Å; I347-V352 HydrophobicContact CG1-CG1 4.32Å; I347-E353 WeakPolarHBondContact CG1-O 3.45Å; I347-E354 HydrophobicContact CG2-CB 4.36Å
348K97Very high97Very high190 Ų19060.1 Ų60.183%0.82633%0.332SS*.Hα-helixtrans-59.3-34.3178.5-174.4179.8179.2-177.90112.5P344 Y345 G350P344-K348 VanDerWaalsContact O-CB 3.29Å; P344-K348 WeakPolarHBondContact O-CB 3.25Å; P344-K348 PolarHBondContact O-N 3.34Å; Y345-K348 PolarHBondContact O-N 3.19Å; K348-G350 PolarHBondContact O-N 3.49Å
349A96.6Very high96.8Very high52 Ų5266.4 Ų66.443%0.4336%0.361SS..THydrogen-bonded Turntrans-78.8-0.5176.300000114Y345 L346 I347 K351 T382Y345-A349 VanDerWaalsContact O-CB 3.31Å; Y345-A349 WeakPolarHBondContact O-CB 3.35Å; Y345-A349 PolarHBondContact O-N 2.95Å; L346-A349 PolarHBondContact O-N 2.99Å; I347-A349 PolarHBondContact O-N 3.14Å; A349-K351 VanDerWaalsContact C-N 3.25Å; A349-K351 HydrophobicContact CB-CD 4.31Å; A349-K351 HydrophobicContact CB-CG 4.08Å; A349-K351 PolarHBondContact O-N 3Å; A349-T382 HydrophobicContact CB-CG2 3.9Å
350G96.1Very high96.7Very high68 Ų6869.1 Ų69.170%0.70137%0.37SS*.THydrogen-bonded Turntrans71.317-177.700000114.3L346 I347 K348L346-G350 PolarHBondContact O-N 2.94Å; I347-G350 PolarHBondContact O-N 3.03Å; K348-G350 PolarHBondContact O-N 3.49Å
351K95.5Very high96.7Very high52 Ų5267.7 Ų67.723%0.22636%0.363CS..SBendtrans-88.6-26.4-178.1-66.6-170.1174.5-152.90112.7L346 A349 R360 T382 F389L346-K351 HydrophobicContact CB-CB 4.39Å; L346-K351 HydrophobicContact CD2-CB 4.15Å; L346-K351 HydrophobicContact CD2-CD 4.08Å; L346-K351 WeakPolarHBondContact O-CB 3.46Å; L346-K351 PolarHBondContact O-N 3.01Å; A349-K351 VanDerWaalsContact C-N 3.25Å; A349-K351 HydrophobicContact CB-CD 4.31Å; A349-K351 HydrophobicContact CB-CG 4.08Å; A349-K351 PolarHBondContact O-N 3Å; K351-R360 PolarHBondContact O-NH2 3.36Å; K351-T382 PolarHBondContact NZ-O 3.13Å; K351-F389 HydrophobicContact CB-CD1 3.58Å; K351-F389 HydrophobicContact CB-CD2 4.25Å; K351-F389 HydrophobicContact CB-CE1 3.71Å; K351-F389 HydrophobicContact CB-CE2 4.37Å; K351-F389 HydrophobicContact CB-CG 3.85Å; K351-F389 HydrophobicContact CB-CZ 4.1Å; K351-F389 HydrophobicContact CD-CB 4.32Å; K351-F389 HydrophobicContact CD-CD2 3.77Å; K351-F389 HydrophobicContact CD-CE2 4.19Å; K351-F389 HydrophobicContact CD-CG 3.96Å; K351-F389 HydrophobicContact CG-CB 4.28Å; K351-F389 HydrophobicContact CG-CD1 4.26Å; K351-F389 HydrophobicContact CG-CD2 4.34Å; K351-F389 HydrophobicContact CG-CG 4.03Å; K351-F389 WeakPolarHBondContact O-CD1 3.43Å; K351-F389 WeakPolarHBondContact O-CE1 3.16Å
352V96.8Very high96.6Very high7 Ų770.2 Ų70.24%0.04238%0.376CS..SBendtrans-132.6145.5175.9-179.50000108.1L343 L346 I347 P356 R360 V364 F389L343-V352 HydrophobicContact CD1-CB 4.38Å; L343-V352 HydrophobicContact CD1-CG1 3.86Å; L346-V352 HydrophobicContact CB-CB 4.18Å; L346-V352 HydrophobicContact CB-CG2 3.79Å; L346-V352 HydrophobicContact CD1-CG2 4.18Å; L346-V352 PolarHBondContact O-N 3.23Å; I347-V352 WeakPolarHBondContact CA-O 3.41Å; I347-V352 HydrophobicContact CG1-CB 4.2Å; I347-V352 HydrophobicContact CG1-CG1 4.32Å; V352-P356 HydrophobicContact CG1-CB 3.84Å; V352-P356 HydrophobicContact CG1-CG 4.14Å; V352-R360 HydrophobicContact CG1-CG 4.38Å; V352-V364 HydrophobicContact CG1-CG2 4.44Å; V352-V364 HydrophobicContact CG2-CG2 3.74Å; V352-F389 HydrophobicContact CG2-CE1 3.93Å; V352-F389 HydrophobicContact CG2-CZ 4.33Å
353E95.8Very high96.5Very high83 Ų8372.2 Ų72.239%0.38838%0.384SS..  trans-67.6155.1175.166.3-83.9-15900112.1I347 N355 P356 R360I347-E353 WeakPolarHBondContact CG1-O 3.45Å; E353-N355 PolarHBondContact O-N 2.81Å; E353-P356 HydrophobicContact CG-CB 4.24Å; E353-P356 WeakPolarHBondContact O-CD 3.33Å; E353-P356 VanDerWaalsContact OE1-CA 3.31Å; E353-P356 WeakPolarHBondContact OE1-CA 3.33Å; E353-R360 WeakPolarHBondContact OE1-CG 3.13Å; E353-R360 IonicContact OE2-NE 3.21Å
354E95.2Very high96.5Very high155 Ų15571.7 Ų71.772%0.72438%0.381SS*.SBendtrans-60.9-30.7-175.2-170.4175.9-171.600113.7I347I347-E354 HydrophobicContact CG2-CB 4.36Å
355N95Very high96.6Very high136 Ų13670.7 Ų70.773%0.72737%0.369SS*.SBendtrans-126.975.5179.5-65.9-73000109.8E353E353-N355 PolarHBondContact O-N 2.81Å
356P95.8Very high96.5Very high17 Ų1772.8 Ų72.811%0.1138%0.377CS..  trans-67.3142.6-175.427.9-32.8000111.3L343 V352 E353 R360 K361L343-P356 HydrophobicContact CD1-CG 4.21Å; L343-P356 HydrophobicContact CD2-CG 4.04Å; V352-P356 HydrophobicContact CG1-CB 3.84Å; V352-P356 HydrophobicContact CG1-CG 4.14Å; E353-P356 HydrophobicContact CG-CB 4.24Å; E353-P356 WeakPolarHBondContact O-CD 3.33Å; E353-P356 VanDerWaalsContact OE1-CA 3.31Å; E353-P356 WeakPolarHBondContact OE1-CA 3.33Å; P356-R360 HydrophobicContact CB-CB 3.94Å; P356-R360 HydrophobicContact CB-CG 3.85Å; P356-K361 HydrophobicContact CB-CG 4.15Å; P356-K361 HydrophobicContact CG-CD 4.48Å; P356-K361 HydrophobicContact CG-CG 3.77Å
357T96.9Very high96.5Very high67 Ų6772.8 Ų72.841%0.41138%0.377SS..  trans-63.7160.3174.279.90000110.5E359 R360 K361T357-E359 VanDerWaalsContact CB-OE2 3.26Å; T357-E359 WeakPolarHBondContact CB-OE2 2.84Å; T357-E359 PolarHBondContact O-N 3.33Å; T357-E359 PolarHBondContact OG1-N 3.28Å; T357-E359 PolarHBondContact OG1-OE2 2.99Å; T357-R360 PolarHBondContact O-N 2.9Å; T357-R360 PolarHBondContact OG1-N 3.42Å; T357-K361 PolarHBondContact O-N 3Å
358P96.4Very high96.5Very high93 Ų9370.5 Ų70.560%0.60437%0.365SS*.Hα-helixtrans-52.7-40175-27.536.6000113R360 K361 D362P358-R360 PolarHBondContact O-N 3.37Å; P358-K361 PolarHBondContact O-N 2.89Å; P358-D362 PolarHBondContact O-N 3.26Å
359E95.4Very high96.5Very high133 Ų13363.7 Ų63.762%0.62134%0.341SS*.Hα-helixtrans-66.6-38.4177.9-55.773.7-158.700111.5T357 D362 W363T357-E359 VanDerWaalsContact CB-OE2 3.26Å; T357-E359 WeakPolarHBondContact CB-OE2 2.84Å; T357-E359 PolarHBondContact O-N 3.33Å; T357-E359 PolarHBondContact OG1-N 3.28Å; T357-E359 PolarHBondContact OG1-OE2 2.99Å; E359-D362 PolarHBondContact O-N 3.44Å; E359-W363 PolarHBondContact O-N 3.02Å
360R95.5Very high96.5Very high65 Ų6562.6 Ų62.625%0.24533%0.328CS..Hα-helixtrans-67.5-39.8175.1-173.164.4169160.13.8111.2K351 V352 E353 P356 T357 P358 W363 V364K351-R360 PolarHBondContact O-NH2 3.36Å; V352-R360 HydrophobicContact CG1-CG 4.38Å; E353-R360 WeakPolarHBondContact OE1-CG 3.13Å; E353-R360 IonicContact OE2-NE 3.21Å; P356-R360 HydrophobicContact CB-CB 3.94Å; P356-R360 HydrophobicContact CB-CG 3.85Å; T357-R360 PolarHBondContact O-N 2.9Å; T357-R360 PolarHBondContact OG1-N 3.42Å; P358-R360 PolarHBondContact O-N 3.37Å; R360-W363 WeakPolarHBondContact O-CB 3.34Å; R360-W363 PolarHBondContact O-N 3.18Å; R360-V364 WeakPolarHBondContact O-CG2 3.18Å; R360-V364 PolarHBondContact O-N 3.06Å
361K96.9Very high96.5Very high70 Ų7059.6 Ų59.630%0.30430%0.296SS..Hα-helixtrans-61.3-44.2173.8-74.9-167.1166.1-150.60111.9E340 P356 T357 P358 W363 V364 K365E340-K361 IonicContact OE1-NZ 3.82Å; E340-K361 PolarHBondContact OE1-NZ 2.86Å; E340-K361 IonicContact OE2-NZ 2.65Å; P356-K361 HydrophobicContact CB-CG 4.15Å; P356-K361 HydrophobicContact CG-CD 4.48Å; P356-K361 HydrophobicContact CG-CG 3.77Å; T357-K361 PolarHBondContact O-N 3Å; P358-K361 PolarHBondContact O-N 2.89Å; K361-W363 VanDerWaalsContact C-N 3.3Å; K361-W363 PolarHBondContact O-N 3.4Å; K361-V364 PolarHBondContact O-N 3.3Å; K361-V364 VanDerWaalsContact O-N 3.16Å; K361-K365 PolarHBondContact O-N 3.48Å
362D96.9Very high96.6Very high108 Ų10858.5 Ų58.558%0.57829%0.291SS*.Hα-helixtrans-61.9-39.2175.3-85.26.7000111.8P358 E359 K365 R366P358-D362 PolarHBondContact O-N 3.26Å; E359-D362 PolarHBondContact O-N 3.44Å; D362-K365 WeakPolarHBondContact O-CB 3.43Å; D362-K365 PolarHBondContact O-N 3Å; D362-R366 WeakPolarHBondContact O-CG 3.29Å; D362-R366 PolarHBondContact O-N 3.27Å; D362-R366 VanDerWaalsContact O-N 3.11Å
363W96.4Very high96.5Very high43 Ų4361.9 Ų61.916%0.16331%0.314CS..Hα-helixtrans-63.5-44.1172.8-177.993000112.1E359 R360 K361 K365 R366 V367 F388 F389 I471E359-W363 PolarHBondContact O-N 3.02Å; R360-W363 WeakPolarHBondContact O-CB 3.34Å; R360-W363 PolarHBondContact O-N 3.18Å; K361-W363 VanDerWaalsContact C-N 3.3Å; K361-W363 PolarHBondContact O-N 3.4Å; W363-K365 VanDerWaalsContact C-N 3.31Å; W363-K365 PolarHBondContact O-N 2.84Å; W363-R366 PolarHBondContact O-N 3.44Å; W363-V367 HydrophobicContact CD2-CG2 4.05Å; W363-V367 HydrophobicContact CE3-CG2 3.89Å; W363-V367 HydrophobicContact CH2-CG2 3.66Å; W363-V367 HydrophobicContact CZ2-CG2 3.81Å; W363-V367 HydrophobicContact CZ3-CG2 3.69Å; W363-V367 PolarHBondContact O-N 3.01Å; W363-F388 HydrophobicContact CH2-CB 3.7Å; W363-F388 HydrophobicContact CZ2-CB 3.83Å; W363-F388 HydrophobicContact CZ2-CD1 4.36Å; W363-F388 HydrophobicContact CZ2-CG 4.4Å; W363-F389 HydrophobicContact CH2-CD1 4.22Å; W363-F389 AromaticContact CH2-CE1 3.7Å; W363-F389 HydrophobicContact CH2-CE1 3.7Å; W363-F389 HydrophobicContact CH2-CE2 4.33Å; W363-F389 AromaticContact CH2-CZ 3.77Å; W363-F389 HydrophobicContact CH2-CZ 3.77Å; W363-F389 HydrophobicContact CZ3-CD1 4.44Å; W363-F389 AromaticContact CZ3-CE1 3.53Å; W363-F389 HydrophobicContact CZ3-CE1 3.53Å; W363-F389 HydrophobicContact CZ3-CE2 4.49Å; W363-F389 AromaticContact CZ3-CZ 3.57Å; W363-F389 HydrophobicContact CZ3-CZ 3.57Å; W363-I471 HydrophobicContact CZ2-CG2 4.09Å; W363-I471 PolarHBondContact NE1-O 3.37Å
364V97.8Very high96.4Very high0 Ų063 Ų630%032%0.319CS..Hα-helixtrans-61.1-42175.9173.40000110.6T339 L343 L346 V352 R360 K361 R366 V367 V368T339-V364 HydrophobicContact CG2-CG1 4.09Å; L343-V364 HydrophobicContact CD1-CG1 4.37Å; L343-V364 HydrophobicContact CD1-CG2 4.5Å; L346-V364 HydrophobicContact CD1-CG1 3.65Å; V352-V364 HydrophobicContact CG1-CG2 4.44Å; V352-V364 HydrophobicContact CG2-CG2 3.74Å; R360-V364 WeakPolarHBondContact O-CG2 3.18Å; R360-V364 PolarHBondContact O-N 3.06Å; K361-V364 PolarHBondContact O-N 3.3Å; K361-V364 VanDerWaalsContact O-N 3.16Å; V364-R366 VanDerWaalsContact C-N 3.29Å; V364-R366 PolarHBondContact O-N 3.46Å; V364-V367 WeakPolarHBondContact O-CB 3.47Å; V364-V367 PolarHBondContact O-N 3.08Å; V364-V367 VanDerWaalsContact O-N 3.11Å; V364-V368 HydrophobicContact CG1-CG2 4.14Å; V364-V368 WeakPolarHBondContact O-CG2 3.47Å; V364-V368 PolarHBondContact O-N 2.99Å
365K98Very high96.5Very high54 Ų5455.6 Ų55.624%0.23528%0.284CS..Hα-helixtrans-56.7-43.7175.9-176.6176.8-178.3174.90111.9L335 D336 T339 K361 D362 W363 V368 S369L335-K365 HydrophobicContact CD2-CD 4.41Å; L335-K365 HydrophobicContact CD2-CG 3.85Å; L335-K365 HydrophobicContact CG-CD 4.49Å; L335-K365 HydrophobicContact CG-CG 3.86Å; D336-K365 WeakPolarHBondContact OD1-CE 3.12Å; D336-K365 IonicContact OD1-NZ 3.81Å; D336-K365 PolarHBondContact OD1-NZ 3.14Å; D336-K365 IonicContact OD2-NZ 2.9Å; D336-K365 PolarHBondContact OD2-NZ 3.02Å; T339-K365 HydrophobicContact CG2-CB 3.98Å; K361-K365 PolarHBondContact O-N 3.48Å; D362-K365 WeakPolarHBondContact O-CB 3.43Å; D362-K365 PolarHBondContact O-N 3Å; W363-K365 VanDerWaalsContact C-N 3.31Å; W363-K365 PolarHBondContact O-N 2.84Å; K365-V368 PolarHBondContact O-N 3.21Å; K365-S369 WeakPolarHBondContact O-CB 3.42Å; K365-S369 PolarHBondContact O-N 2.97Å
366R97.1Very high96.7Very high87 Ų8750 Ų5033%0.32826%0.256SS..Hα-helixtrans-63.8-42.5175.9-68.4173.863.9-150.9-9.6111.4D362 W363 V364 S369 L370 E470 I471D362-R366 WeakPolarHBondContact O-CG 3.29Å; D362-R366 PolarHBondContact O-N 3.27Å; D362-R366 VanDerWaalsContact O-N 3.11Å; W363-R366 PolarHBondContact O-N 3.44Å; V364-R366 VanDerWaalsContact C-N 3.29Å; V364-R366 PolarHBondContact O-N 3.46Å; R366-S369 PolarHBondContact O-N 3.25Å; R366-S369 PolarHBondContact O-OG 3.36Å; R366-L370 PolarHBondContact O-N 3.26Å; R366-E470 IonicContact CZ-OE1 3.93Å; R366-E470 IonicContact NE-OE1 3.35Å; R366-E470 PolarHBondContact NH2-O 3.13Å; R366-E470 IonicContact NH2-OE1 3.53Å; R366-E470 PolarHBondContact NH2-OE1 3.15Å; R366-I471 HydrophobicContact CB-CD1 3.75Å; R366-I471 HydrophobicContact CB-CG1 3.97Å; R366-I471 WeakPolarHBondContact O-CD1 3.41Å
367V97.4Very high96.8Very high0 Ų051.5 Ų51.50%026%0.259CS..Hα-helixtrans-60.2-49174.5173.60000111.1W363 V364 S369 L370 Y371 S385 F388 I471W363-V367 HydrophobicContact CD2-CG2 4.05Å; W363-V367 HydrophobicContact CE3-CG2 3.89Å; W363-V367 HydrophobicContact CH2-CG2 3.66Å; W363-V367 HydrophobicContact CZ2-CG2 3.81Å; W363-V367 HydrophobicContact CZ3-CG2 3.69Å; W363-V367 PolarHBondContact O-N 3.01Å; V364-V367 WeakPolarHBondContact O-CB 3.47Å; V364-V367 PolarHBondContact O-N 3.08Å; V364-V367 VanDerWaalsContact O-N 3.11Å; V367-S369 VanDerWaalsContact C-N 3.27Å; V367-S369 PolarHBondContact O-N 3.48Å; V367-L370 PolarHBondContact O-N 3.17Å; V367-Y371 HydrophobicContact CG1-CD2 4.37Å; V367-Y371 HydrophobicContact CG1-CE2 4.34Å; V367-Y371 WeakPolarHBondContact O-CD2 3.18Å; V367-S385 VanDerWaalsContact CG1-CB 3.48Å; V367-F388 HydrophobicContact CG1-CD2 3.94Å; V367-F388 HydrophobicContact CG1-CE2 4.42Å; V367-F388 HydrophobicContact CG2-CB 4.4Å; V367-F388 HydrophobicContact CG2-CD1 4.5Å; V367-F388 HydrophobicContact CG2-CD2 4.22Å; V367-F388 HydrophobicContact CG2-CG 4.11Å; V367-I471 HydrophobicContact CG2-CG2 3.56Å
368V98Very high96.8Very high0 Ų048.3 Ų48.30%024%0.24CC..Hα-helixtrans-58.1-40.9178.4170.50000111.1L335 L338 C342 V364 K365 L370 Y371 Q372 M375 I381L335-V368 HydrophobicContact CD1-CB 4.39Å; L335-V368 HydrophobicContact CD1-CG1 3.86Å; L338-V368 HydrophobicContact CB-CG1 4.46Å; L338-V368 HydrophobicContact CD2-CG1 3.79Å; L338-V368 HydrophobicContact CG-CG1 3.76Å; C342-V368 HydrophobicContact CB-CG2 3.96Å; V364-V368 HydrophobicContact CG1-CG2 4.14Å; V364-V368 WeakPolarHBondContact O-CG2 3.47Å; V364-V368 PolarHBondContact O-N 2.99Å; K365-V368 PolarHBondContact O-N 3.21Å; V368-L370 VanDerWaalsContact C-N 3.25Å; V368-L370 PolarHBondContact O-N 3.15Å; V368-Y371 PolarHBondContact O-N 2.64Å; V368-Y371 VanDerWaalsContact O-N 3.08Å; V368-Q372 PolarHBondContact O-N 2.84Å; V368-M375 HydrophobicContact CG1-CE 4.21Å; V368-I381 HydrophobicContact CG2-CD1 3.95Å; V368-I381 HydrophobicContact CG2-CG1 4.17Å
369S96.9Very high96.9Very high47 Ų4744.5 Ų44.533%0.32922%0.217SC..Hα-helixtrans-59.7-33.5-179.779.80000113.6K365 R366 V367 Y371K365-S369 WeakPolarHBondContact O-CB 3.42Å; K365-S369 PolarHBondContact O-N 2.97Å; R366-S369 PolarHBondContact O-N 3.25Å; R366-S369 PolarHBondContact O-OG 3.36Å; V367-S369 VanDerWaalsContact C-N 3.27Å; V367-S369 PolarHBondContact O-N 3.48Å; S369-Y371 VanDerWaalsContact C-N 3.3Å; S369-Y371 PolarHBondContact O-N 3.09Å
370L96.3Very high97Very high30 Ų3040.1 Ų40.116%0.15720%0.196CC..Hα-helixtrans-68.6-30.9178.2-70.2-171.5000112.8R366 V367 V368 F388 P463 E467 I471R366-L370 PolarHBondContact O-N 3.26Å; V367-L370 PolarHBondContact O-N 3.17Å; V368-L370 VanDerWaalsContact C-N 3.25Å; V368-L370 PolarHBondContact O-N 3.15Å; L370-F388 HydrophobicContact CD1-CE2 4.08Å; L370-F388 HydrophobicContact CD1-CZ 3.62Å; L370-P463 HydrophobicContact CB-CB 3.9Å; L370-P463 HydrophobicContact CB-CG 4.25Å; L370-P463 HydrophobicContact CD1-CB 3.94Å; L370-P463 HydrophobicContact CD1-CG 3.8Å; L370-P463 HydrophobicContact CD2-CB 4.32Å; L370-P463 HydrophobicContact CG-CB 4.29Å; L370-E467 HydrophobicContact CD2-CB 3.69Å; L370-E467 HydrophobicContact CD2-CG 4.33Å; L370-I471 HydrophobicContact CD1-CD1 3.49Å; L370-I471 VanDerWaalsContact CD1-CD1 3.49Å; L370-I471 HydrophobicContact CG-CD1 3.78Å
371Y96.4Very high97.1Very high5 Ų537 Ų372%0.0218%0.184CC..Hα-helixtrans-105.5-13-173.8-64.2-71.5000113.9V367 V368 S369 P373 Q374 M375 I381 V384 L387 F388 P463V367-Y371 HydrophobicContact CG1-CD2 4.37Å; V367-Y371 HydrophobicContact CG1-CE2 4.34Å; V367-Y371 WeakPolarHBondContact O-CD2 3.18Å; V368-Y371 PolarHBondContact O-N 2.64Å; V368-Y371 VanDerWaalsContact O-N 3.08Å; S369-Y371 VanDerWaalsContact C-N 3.3Å; S369-Y371 PolarHBondContact O-N 3.09Å; Y371-P373 VanDerWaalsContact O-N 3.13Å; Y371-Q374 HydrophobicContact CD1-CG 4.19Å; Y371-Q374 VanDerWaalsContact O-CG 3.26Å; Y371-Q374 WeakPolarHBondContact O-CG 3.23Å; Y371-Q374 PolarHBondContact O-N 2.93Å; Y371-M375 WeakPolarHBondContact O-CG 3.3Å; Y371-M375 PolarHBondContact O-N 2.96Å; Y371-I381 HydrophobicContact CD2-CD1 4.33Å; Y371-V384 HydrophobicContact CD1-CB 3.84Å; Y371-V384 HydrophobicContact CD1-CG2 3.72Å; Y371-V384 HydrophobicContact CD2-CG2 4.13Å; Y371-V384 HydrophobicContact CE1-CB 4.07Å; Y371-V384 HydrophobicContact CE1-CG2 4.29Å; Y371-V384 WeakPolarHBondContact CE1-O 3.37Å; Y371-V384 HydrophobicContact CG-CB 4.25Å; Y371-V384 HydrophobicContact CG-CG2 3.6Å; Y371-V384 PolarHBondContact OH-O 3.37Å; Y371-L387 WeakPolarHBondContact OH-CD2 3.04Å; Y371-F388 HydrophobicContact CE2-CD2 4.09Å; Y371-F388 AromaticContact CE2-CE2 3.67Å; Y371-F388 HydrophobicContact CE2-CE2 3.67Å; Y371-P463 HydrophobicContact CE1-CG 4.09Å
372Q97.1Very high97.1Very high28 Ų2835.5 Ų35.513%0.13118%0.181CC..THydrogen-bonded Turntrans-47.2-40.9175.4178175.120.300113.4I330 K331 M333 L338 V368 Q374I330-Q372 HydrophobicContact CG2-CG 4.4Å; I330-Q372 PolarHBondContact O-NE2 2.91Å; K331-Q372 PolarHBondContact O-NE2 3.17Å; M333-Q372 PolarHBondContact O-NE2 3.26Å; L338-Q372 HydrophobicContact CD2-CB 3.8Å; L338-Q372 HydrophobicContact CD2-CG 3.51Å; V368-Q372 PolarHBondContact O-N 2.84Å; Q372-Q374 VanDerWaalsContact C-N 3.27Å; Q372-Q374 PolarHBondContact O-N 3.19Å
373P95.5Very high97Very high79 Ų7937.8 Ų37.851%0.51319%0.188SC..THydrogen-bonded Turntrans-67.4-20178.9-22.435.2000115.3N327 K331 Y371N327-P373 PolarHBondContact ND2-O 2.82Å; K331-P373 WeakPolarHBondContact CE-O 3.5Å; K331-P373 PolarHBondContact NZ-O 2.62Å; Y371-P373 VanDerWaalsContact O-N 3.13Å
374Q94.5Very high96.9Very high105 Ų10537.5 Ų37.549%0.49119%0.191SC..THydrogen-bonded Turntrans-111-20.6-178.263.3174.755.900113.6Y371 Q372 S376Y371-Q374 HydrophobicContact CD1-CG 4.19Å; Y371-Q374 VanDerWaalsContact O-CG 3.26Å; Y371-Q374 WeakPolarHBondContact O-CG 3.23Å; Y371-Q374 PolarHBondContact O-N 2.93Å; Q372-Q374 VanDerWaalsContact C-N 3.27Å; Q372-Q374 PolarHBondContact O-N 3.19Å; Q374-S376 PolarHBondContact O-N 3.12Å
375M97.1Very high96.8Very high1 Ų137.5 Ų37.51%0.00519%0.191CC..  trans-67.9129-179.7-73.9-171.3-55.800111.3N327 I330 L338 V368 Y371 E380 I381 V384N327-M375 PolarHBondContact ND2-O 3.29Å; I330-M375 HydrophobicContact CG2-CB 4.28Å; L338-M375 HydrophobicContact CD2-CE 4.12Å; V368-M375 HydrophobicContact CG1-CE 4.21Å; Y371-M375 WeakPolarHBondContact O-CG 3.3Å; Y371-M375 PolarHBondContact O-N 2.96Å; M375-E380 VanDerWaalsContact CA-OE2 3.32Å; M375-E380 WeakPolarHBondContact CA-OE2 3.32Å; M375-E380 HydrophobicContact CG-CB 4.35Å; M375-I381 HydrophobicContact CE-CD1 4.17Å; M375-I381 HydrophobicContact SD-CB 3.72Å; M375-I381 HydrophobicContact SD-CD1 3.69Å; M375-I381 HydrophobicContact SD-CG1 4.24Å; M375-V384 HydrophobicContact CG-CG2 4.21Å; M375-V384 HydrophobicContact SD-CG2 4.34Å
376S97.6Very high96.5Very high18 Ų1837 Ų3713%0.12619%0.194CC..SBendtrans-89.3-32.9172.2-58.90000111.5N326 Q374 E380N326-S376 WeakPolarHBondContact CB-O 3.43Å; N326-S376 PolarHBondContact ND2-O 2.84Å; Q374-S376 PolarHBondContact O-N 3.12Å; S376-E380 PolarHBondContact N-OE2 3.12Å
377Y97.8Very high96.3Very high48 Ų4833.2 Ų33.219%0.18818%0.181CC..SBendtrans-149.7159.9176.150.1-90.1000110.9L271 Y273 A379 E380L271-Y377 HydrophobicContact CB-CD2 3.96Å; L271-Y377 HydrophobicContact CB-CE2 4.33Å; L271-Y377 HydrophobicContact CD2-CE2 4.36Å; L271-Y377 WeakPolarHBondContact O-CD2 3.33Å; Y273-Y377 HydrophobicContact CD2-CD1 4.34Å; Y273-Y377 HydrophobicContact CD2-CG 4.08Å; Y273-Y377 HydrophobicContact CE1-CD1 4.23Å; Y273-Y377 AromaticContact CE2-CD1 3.49Å; Y273-Y377 HydrophobicContact CE2-CD1 3.49Å; Y273-Y377 VanDerWaalsContact CE2-CD1 3.49Å; Y273-Y377 HydrophobicContact CE2-CD2 4.36Å; Y273-Y377 HydrophobicContact CE2-CE1 4.17Å; Y273-Y377 AromaticContact CE2-CG 3.63Å; Y273-Y377 HydrophobicContact CE2-CG 3.63Å; Y273-Y377 AromaticContact CZ-CD1 3.43Å; Y273-Y377 VanDerWaalsContact CZ-CD1 3.43Å; Y273-Y377 WeakPolarHBondContact OH-CD1 3.4Å; Y377-A379 VanDerWaalsContact C-N 3.33Å; Y377-A379 HydrophobicContact CD2-CB 3.99Å; Y377-A379 HydrophobicContact CE2-CB 4.15Å; Y377-A379 PolarHBondContact O-N 3.32Å; Y377-E380 HydrophobicContact CD1-CG 4.13Å; Y377-E380 HydrophobicContact CD2-CG 3.69Å; Y377-E380 HydrophobicContact CE1-CG 3.77Å; Y377-E380 VanDerWaalsContact CE1-OE1 3.27Å; Y377-E380 WeakPolarHBondContact CE1-OE1 3.48Å; Y377-E380 HydrophobicContact CE2-CB 4.45Å; Y377-E380 HydrophobicContact CE2-CG 3.32Å; Y377-E380 HydrophobicContact CG-CG 4.08Å; Y377-E380 WeakPolarHBondContact O-CB 3.2Å; Y377-E380 PolarHBondContact O-N 2.86Å
378A98.2Very high96.1Very high0 Ų033.4 Ų33.40%018%0.182CC..G310 helixtrans-64.3-32.8-166.600000114.4G272 L341 Y345 E380 I381G272-A378 PolarHBondContact O-N 3.47Å; L341-A378 HydrophobicContact CD2-CB 3.81Å; L341-A378 HydrophobicContact CG-CB 3.66Å; Y345-A378 HydrophobicContact CD2-CB 4.09Å; Y345-A378 HydrophobicContact CE2-CB 3.7Å; A378-E380 PolarHBondContact O-N 2.97Å; A378-I381 WeakPolarHBondContact O-CB 3.43Å; A378-I381 WeakPolarHBondContact O-CG2 3.47Å; A378-I381 PolarHBondContact O-N 2.94Å
379A97.9Very high95.9Very high14 Ų1435.3 Ų35.312%0.11619%0.19CC..G310 helixtrans-63.6-26.5-179.900000113.6L271 Y345 Y377 I381 T382L271-A379 HydrophobicContact CD2-CB 4.23Å; L271-A379 WeakPolarHBondContact O-CB 3.46Å; L271-A379 PolarHBondContact O-N 3.45Å; Y345-A379 HydrophobicContact CD1-CB 3.59Å; Y345-A379 HydrophobicContact CE1-CB 3.66Å; Y345-A379 HydrophobicContact CG-CB 4.18Å; Y377-A379 VanDerWaalsContact C-N 3.33Å; Y377-A379 HydrophobicContact CD2-CB 3.99Å; Y377-A379 HydrophobicContact CE2-CB 4.15Å; Y377-A379 PolarHBondContact O-N 3.32Å; A379-I381 PolarHBondContact O-N 3.22Å; A379-I381 VanDerWaalsContact O-N 3.1Å; A379-T382 PolarHBondContact O-N 2.87Å; A379-T382 VanDerWaalsContact O-N 3.13Å; A379-T382 PolarHBondContact O-OG1 3.44Å
380E97.4Very high95.4Very high41 Ų4135.8 Ų35.819%0.19219%0.187CC..G310 helixtrans-58.8-24.7177.7-65.7-172.4147.700112.4M375 S376 Y377 A378 T382 E383 V384M375-E380 VanDerWaalsContact CA-OE2 3.32Å; M375-E380 WeakPolarHBondContact CA-OE2 3.32Å; M375-E380 HydrophobicContact CG-CB 4.35Å; S376-E380 PolarHBondContact N-OE2 3.12Å; Y377-E380 HydrophobicContact CD1-CG 4.13Å; Y377-E380 HydrophobicContact CD2-CG 3.69Å; Y377-E380 HydrophobicContact CE1-CG 3.77Å; Y377-E380 VanDerWaalsContact CE1-OE1 3.27Å; Y377-E380 WeakPolarHBondContact CE1-OE1 3.48Å; Y377-E380 HydrophobicContact CE2-CB 4.45Å; Y377-E380 HydrophobicContact CE2-CG 3.32Å; Y377-E380 HydrophobicContact CG-CG 4.08Å; Y377-E380 WeakPolarHBondContact O-CB 3.2Å; Y377-E380 PolarHBondContact O-N 2.86Å; A378-E380 PolarHBondContact O-N 2.97Å; E380-T382 PolarHBondContact O-N 3.26Å; E380-E383 PolarHBondContact O-N 2.83Å; E380-V384 HydrophobicContact CB-CG1 4.45Å; E380-V384 WeakPolarHBondContact O-CG2 3.46Å; E380-V384 PolarHBondContact O-N 2.9Å
381I97.8Very high94.8Very high0 Ų040.3 Ų40.30%021%0.211CC..Hα-helixtrans-49.8-36.5177.2-166.759.2000110.9C342 L346 V368 Y371 M375 A378 A379 E383 V384 S385C342-I381 HydrophobicContact CB-CB 4.24Å; C342-I381 HydrophobicContact CB-CG1 4.22Å; C342-I381 HydrophobicContact CB-CG2 3.92Å; L346-I381 HydrophobicContact CD1-CG1 4.22Å; L346-I381 HydrophobicContact CD2-CG1 4.23Å; L346-I381 HydrophobicContact CD2-CG2 4.07Å; L346-I381 HydrophobicContact CG-CG1 4.37Å; L346-I381 HydrophobicContact CG-CG2 3.95Å; V368-I381 HydrophobicContact CG2-CD1 3.95Å; V368-I381 HydrophobicContact CG2-CG1 4.17Å; Y371-I381 HydrophobicContact CD2-CD1 4.33Å; M375-I381 HydrophobicContact CE-CD1 4.17Å; M375-I381 HydrophobicContact SD-CB 3.72Å; M375-I381 HydrophobicContact SD-CD1 3.69Å; M375-I381 HydrophobicContact SD-CG1 4.24Å; A378-I381 WeakPolarHBondContact O-CB 3.43Å; A378-I381 WeakPolarHBondContact O-CG2 3.47Å; A378-I381 PolarHBondContact O-N 2.94Å; A379-I381 PolarHBondContact O-N 3.22Å; A379-I381 VanDerWaalsContact O-N 3.1Å; I381-E383 PolarHBondContact O-N 2.92Å; I381-V384 HydrophobicContact CD1-CG2 4.45Å; I381-S385 VanDerWaalsContact O-CB 3.27Å; I381-S385 WeakPolarHBondContact O-CB 3.38Å; I381-S385 PolarHBondContact O-N 2.88Å; I381-S385 VanDerWaalsContact O-N 3.14Å; I381-S385 PolarHBondContact O-OG 3.34Å
382T96.9Very high94.4Very high38 Ų3846.4 Ų46.423%0.23324%0.239CC..Hα-helixtrans-62.4-45.4-178.358.80000111.5Y345 L346 A349 K351 A379 E380Y345-T382 WeakPolarHBondContact O-CG2 3.23Å; L346-T382 HydrophobicContact CD2-CG2 4.36Å; A349-T382 HydrophobicContact CB-CG2 3.9Å; K351-T382 PolarHBondContact NZ-O 3.13Å; A379-T382 PolarHBondContact O-N 2.87Å; A379-T382 VanDerWaalsContact O-N 3.13Å; A379-T382 PolarHBondContact O-OG1 3.44Å; E380-T382 PolarHBondContact O-N 3.26Å
383E94.2Very high94.1Very high155 Ų15546.1 Ų46.172%0.72424%0.239SC*.Hα-helixtrans-77-51.9179.8-171.8177.3170.400111.7E380 I381 S385 S386E380-E383 PolarHBondContact O-N 2.83Å; I381-E383 PolarHBondContact O-N 2.92Å; E383-S385 VanDerWaalsContact C-N 3.28Å; E383-S385 PolarHBondContact O-N 2.93Å; E383-S386 WeakPolarHBondContact O-CB 3.35Å; E383-S386 PolarHBondContact O-N 2.64Å; E383-S386 VanDerWaalsContact O-N 3.12Å; E383-S386 PolarHBondContact O-OG 3.4Å
384V94.6Very high93.7Very high37 Ų3749.5 Ų49.522%0.22425%0.248CC..Hα-helixtrans-65.9-30.7-170.7-57.50000112.8Y371 M375 E380 I381Y371-V384 HydrophobicContact CD1-CB 3.84Å; Y371-V384 HydrophobicContact CD1-CG2 3.72Å; Y371-V384 HydrophobicContact CD2-CG2 4.13Å; Y371-V384 HydrophobicContact CE1-CB 4.07Å; Y371-V384 HydrophobicContact CE1-CG2 4.29Å; Y371-V384 WeakPolarHBondContact CE1-O 3.37Å; Y371-V384 HydrophobicContact CG-CB 4.25Å; Y371-V384 HydrophobicContact CG-CG2 3.6Å; Y371-V384 PolarHBondContact OH-O 3.37Å; M375-V384 HydrophobicContact CG-CG2 4.21Å; M375-V384 HydrophobicContact SD-CG2 4.34Å; E380-V384 HydrophobicContact CB-CG1 4.45Å; E380-V384 WeakPolarHBondContact O-CG2 3.46Å; E380-V384 PolarHBondContact O-N 2.9Å; I381-V384 HydrophobicContact CD1-CG2 4.45Å
385S95.3Very high93.7Very high0 Ų046.5 Ų46.50%024%0.235CC..THydrogen-bonded Turntrans-92.88179.971.70000114.5V367 I381 E383 L387 F388 F389V367-S385 VanDerWaalsContact CG1-CB 3.48Å; I381-S385 VanDerWaalsContact O-CB 3.27Å; I381-S385 WeakPolarHBondContact O-CB 3.38Å; I381-S385 PolarHBondContact O-N 2.88Å; I381-S385 VanDerWaalsContact O-N 3.14Å; I381-S385 PolarHBondContact O-OG 3.34Å; E383-S385 VanDerWaalsContact C-N 3.28Å; E383-S385 PolarHBondContact O-N 2.93Å; S385-L387 PolarHBondContact O-N 3.14Å; S385-L387 VanDerWaalsContact O-N 3.08Å; S385-F388 PolarHBondContact O-N 3.08Å; S385-F389 VanDerWaalsContact O-CD2 3.26Å; S385-F389 WeakPolarHBondContact O-CD2 3.41Å; S385-F389 WeakPolarHBondContact OG-CE2 3.35Å
386S92.6Very high93.5Very high43 Ų4350.3 Ų50.330%0.30126%0.255SS..G310 helixtrans-47.4-40.2-17650.80000114.8E383 F388 F389E383-S386 WeakPolarHBondContact O-CB 3.35Å; E383-S386 PolarHBondContact O-N 2.64Å; E383-S386 VanDerWaalsContact O-N 3.12Å; E383-S386 PolarHBondContact O-OG 3.4Å; S386-F388 PolarHBondContact O-N 2.95Å; S386-F388 VanDerWaalsContact O-N 3.09Å; S386-F389 PolarHBondContact O-N 3.26Å
387L92.4Very high93.4Very high9 Ų955.4 Ų55.45%0.04728%0.281CS..G310 helixtrans-55.4-29.5-179.475.688.4000113.9Y371 S385 F389 V459 T468Y371-L387 WeakPolarHBondContact OH-CD2 3.04Å; S385-L387 PolarHBondContact O-N 3.14Å; S385-L387 VanDerWaalsContact O-N 3.08Å; L387-F389 VanDerWaalsContact C-N 3.29Å; L387-F389 PolarHBondContact O-N 2.87Å; L387-V459 HydrophobicContact CD2-CG2 4.19Å; L387-T468 HydrophobicContact CD1-CG2 3.93Å
388F94.7Very high93.3Very high4 Ų455.2 Ų55.22%0.01829%0.289CS..G310 helixtrans-77.5-17.9-178-68.8-72.9000112.9W363 V367 L370 Y371 S385 S386 T468 I471 L472 K476W363-F388 HydrophobicContact CH2-CB 3.7Å; W363-F388 HydrophobicContact CZ2-CB 3.83Å; W363-F388 HydrophobicContact CZ2-CD1 4.36Å; W363-F388 HydrophobicContact CZ2-CG 4.4Å; V367-F388 HydrophobicContact CG1-CD2 3.94Å; V367-F388 HydrophobicContact CG1-CE2 4.42Å; V367-F388 HydrophobicContact CG2-CB 4.4Å; V367-F388 HydrophobicContact CG2-CD1 4.5Å; V367-F388 HydrophobicContact CG2-CD2 4.22Å; V367-F388 HydrophobicContact CG2-CG 4.11Å; L370-F388 HydrophobicContact CD1-CE2 4.08Å; L370-F388 HydrophobicContact CD1-CZ 3.62Å; Y371-F388 HydrophobicContact CE2-CD2 4.09Å; Y371-F388 AromaticContact CE2-CE2 3.67Å; Y371-F388 HydrophobicContact CE2-CE2 3.67Å; S385-F388 PolarHBondContact O-N 3.08Å; S386-F388 PolarHBondContact O-N 2.95Å; S386-F388 VanDerWaalsContact O-N 3.09Å; F388-T468 HydrophobicContact CE1-CG2 4.14Å; F388-T468 HydrophobicContact CZ-CG2 4.02Å; F388-I471 HydrophobicContact CD1-CB 4.23Å; F388-I471 HydrophobicContact CD1-CG2 3.57Å; F388-I471 HydrophobicContact CE1-CB 3.63Å; F388-I471 HydrophobicContact CE1-CG2 3.45Å; F388-I471 VanDerWaalsContact CE1-CG2 3.45Å; F388-I471 HydrophobicContact CG-CG2 4.38Å; F388-I471 HydrophobicContact CZ-CB 4.28Å; F388-I471 HydrophobicContact CZ-CG2 4.16Å; F388-L472 HydrophobicContact CD1-CD2 3.96Å; F388-L472 HydrophobicContact CD1-CG 3.98Å; F388-L472 HydrophobicContact CE1-CD2 4.49Å; F388-L472 HydrophobicContact CE1-CG 4.02Å; F388-K476 PolarHBondContact O-NZ 3.02Å
389F92.2Very high93.2Very high39 Ų3955.2 Ų55.217%0.17129%0.289CS..SBendtrans-108.3-0.4-172.2-59-82.7000114.2L346 K351 V352 W363 S385 S386 L387L346-F389 HydrophobicContact CD1-CZ 4.43Å; L346-F389 HydrophobicContact CD2-CE2 4.07Å; L346-F389 HydrophobicContact CD2-CZ 3.98Å; K351-F389 HydrophobicContact CB-CD1 3.58Å; K351-F389 HydrophobicContact CB-CD2 4.25Å; K351-F389 HydrophobicContact CB-CE1 3.71Å; K351-F389 HydrophobicContact CB-CE2 4.37Å; K351-F389 HydrophobicContact CB-CG 3.85Å; K351-F389 HydrophobicContact CB-CZ 4.1Å; K351-F389 HydrophobicContact CD-CB 4.32Å; K351-F389 HydrophobicContact CD-CD2 3.77Å; K351-F389 HydrophobicContact CD-CE2 4.19Å; K351-F389 HydrophobicContact CD-CG 3.96Å; K351-F389 HydrophobicContact CG-CB 4.28Å; K351-F389 HydrophobicContact CG-CD1 4.26Å; K351-F389 HydrophobicContact CG-CD2 4.34Å; K351-F389 HydrophobicContact CG-CG 4.03Å; K351-F389 WeakPolarHBondContact O-CD1 3.43Å; K351-F389 WeakPolarHBondContact O-CE1 3.16Å; V352-F389 HydrophobicContact CG2-CE1 3.93Å; V352-F389 HydrophobicContact CG2-CZ 4.33Å; W363-F389 HydrophobicContact CH2-CD1 4.22Å; W363-F389 AromaticContact CH2-CE1 3.7Å; W363-F389 HydrophobicContact CH2-CE1 3.7Å; W363-F389 HydrophobicContact CH2-CE2 4.33Å; W363-F389 AromaticContact CH2-CZ 3.77Å; W363-F389 HydrophobicContact CH2-CZ 3.77Å; W363-F389 HydrophobicContact CZ3-CD1 4.44Å; W363-F389 AromaticContact CZ3-CE1 3.53Å; W363-F389 HydrophobicContact CZ3-CE1 3.53Å; W363-F389 HydrophobicContact CZ3-CE2 4.49Å; W363-F389 AromaticContact CZ3-CZ 3.57Å; W363-F389 HydrophobicContact CZ3-CZ 3.57Å; S385-F389 VanDerWaalsContact O-CD2 3.26Å; S385-F389 WeakPolarHBondContact O-CD2 3.41Å; S385-F389 WeakPolarHBondContact OG-CE2 3.35Å; S386-F389 PolarHBondContact O-N 3.26Å; L387-F389 VanDerWaalsContact C-N 3.29Å; L387-F389 PolarHBondContact O-N 2.87Å
390Q86.2Confident93.1Very high58 Ų5859.7 Ų59.727%0.27131%0.306SS..  trans-89.5140.1175.4-67.2178.5-21.900111K476Q390-K476 WeakPolarHBondContact O-CE 3.22Å; Q390-K476 PolarHBondContact O-NZ 3.44Å
391D83.8Confident93.1Very high124 Ų12465 Ų6566%0.66333%0.331SS*.SBendtrans-86.9-22173.9-66.6-32.9000112.8Q483D391-Q483 PolarHBondContact O-NE2 2.96Å
392H87.8Confident93Very high133 Ų13366.4 Ų66.462%0.61634%0.339SS*.SBendtrans-127.7145.9-179.7-59-57000110.2E394H392-E394 PolarHBondContact O-N 3.16Å
393L90.8Very high93Very high23 Ų2366 Ų6612%0.1234%0.336CS..  trans-73.8120.4176.8-63.5-179.2000110.8L395 A455 H480 Q483 V484L393-L395 HydrophobicContact CB-CD2 4.13Å; L393-L395 HydrophobicContact CB-CG 4.36Å; L393-A455 WeakPolarHBondContact CD1-O 3.13Å; L393-H480 HydrophobicContact CD1-CB 3.98Å; L393-H480 HydrophobicContact CD2-CB 4.17Å; L393-H480 WeakPolarHBondContact CD2-ND1 3.42Å; L393-H480 HydrophobicContact CG-CB 4.13Å; L393-Q483 VanDerWaalsContact N-OE1 3.07Å; L393-V484 HydrophobicContact CD1-CG1 3.67Å
394E88.7Confident93Very high149 Ų14962.7 Ų62.770%0.69634%0.335SS*.  trans-92.2104166.2-68.9-171.5159.500109.6H392H392-E394 PolarHBondContact O-N 3.16Å
395L93.1Very high93Very high43 Ų4362.4 Ų62.423%0.22534%0.34CS..  trans-93.4118-176.5-56.5175.4000111.2L393 A399 K400 L403 V454 V484L393-L395 HydrophobicContact CB-CD2 4.13Å; L393-L395 HydrophobicContact CB-CG 4.36Å; L395-A399 HydrophobicContact CB-CB 4.19Å; L395-A399 HydrophobicContact CD2-CB 4.08Å; L395-K400 HydrophobicContact CB-CG 4.09Å; L395-K400 WeakPolarHBondContact O-CE 3.39Å; L395-K400 PolarHBondContact O-NZ 3.5Å; L395-L403 HydrophobicContact CD1-CD1 3.67Å; L395-L403 HydrophobicContact CD2-CD1 4.34Å; L395-V454 HydrophobicContact CD2-CG1 3.95Å; L395-V484 HydrophobicContact CD1-CG1 3.97Å
396D93.6Very high92.9Very high80 Ų8071.8 Ų71.843%0.42838%0.384SS..  trans-72.4175.4167.272.819.6000111.8A398 A399 K400D396-A398 VanDerWaalsContact C-N 3.29Å; D396-A398 PolarHBondContact O-N 3.35Å; D396-A398 WeakPolarHBondContact OD1-CB 3.19Å; D396-A398 PolarHBondContact OD1-N 3.28Å; D396-A399 PolarHBondContact O-N 2.97Å; D396-A399 VanDerWaalsContact OD1-CB 3.3Å; D396-A399 WeakPolarHBondContact OD1-CB 3.3Å; D396-A399 PolarHBondContact OD1-N 3.43Å; D396-K400 WeakPolarHBondContact O-CG 3.5Å; D396-K400 PolarHBondContact O-N 3.4Å
397D95.8Very high93Very high126 Ų12671.3 Ų71.367%0.67439%0.385SS*.Hα-helixtrans-66.6-31.9-177-67.5-21.1000112.6K400 E401D397-K400 PolarHBondContact O-N 3.43Å; D397-K400 IonicContact OD1-NZ 2.63Å; D397-K400 PolarHBondContact OD1-NZ 3.18Å; D397-E401 WeakPolarHBondContact O-CB 3.33Å; D397-E401 PolarHBondContact O-N 3.28Å
398A95.1Very high93.2Very high43 Ų4371.3 Ų71.336%0.35539%0.385SS..Hα-helixtrans-69.6-40.1176.600000111.5D396 E401 V402 V460D396-A398 VanDerWaalsContact C-N 3.29Å; D396-A398 PolarHBondContact O-N 3.35Å; D396-A398 WeakPolarHBondContact OD1-CB 3.19Å; D396-A398 PolarHBondContact OD1-N 3.28Å; A398-E401 PolarHBondContact O-N 3.27Å; A398-V402 WeakPolarHBondContact O-CG2 3.45Å; A398-V402 PolarHBondContact O-N 3.32Å; A398-V460 HydrophobicContact CB-CG1 4.23Å; A398-V460 HydrophobicContact CB-CG2 4.32Å
399A95.6Very high93.3Very high0 Ų075.1 Ų75.10%041%0.411CS..Hα-helixtrans-62.1-45.1174.100000111.3L395 D396 E401 V402 L403 V454L395-A399 HydrophobicContact CB-CB 4.19Å; L395-A399 HydrophobicContact CD2-CB 4.08Å; D396-A399 PolarHBondContact O-N 2.97Å; D396-A399 VanDerWaalsContact OD1-CB 3.3Å; D396-A399 WeakPolarHBondContact OD1-CB 3.3Å; D396-A399 PolarHBondContact OD1-N 3.43Å; A399-E401 PolarHBondContact O-N 3.04Å; A399-V402 PolarHBondContact O-N 3.33Å; A399-L403 WeakPolarHBondContact O-CG 3.47Å; A399-L403 PolarHBondContact O-N 2.65Å; A399-V454 HydrophobicContact CB-CG1 3.62Å; A399-V454 HydrophobicContact CB-CG2 4.4Å
400K96.5Very high93.6Very high108 Ų10877.1 Ų77.147%0.4743%0.426SS..Hα-helixtrans-62.2-41.7175-68.8169.5-165.3149.50112.3L395 D396 D397 V402 L403 A404L395-K400 HydrophobicContact CB-CG 4.09Å; L395-K400 WeakPolarHBondContact O-CE 3.39Å; L395-K400 PolarHBondContact O-NZ 3.5Å; D396-K400 WeakPolarHBondContact O-CG 3.5Å; D396-K400 PolarHBondContact O-N 3.4Å; D397-K400 PolarHBondContact O-N 3.43Å; D397-K400 IonicContact OD1-NZ 2.63Å; D397-K400 PolarHBondContact OD1-NZ 3.18Å; K400-V402 VanDerWaalsContact C-N 3.32Å; K400-V402 PolarHBondContact O-N 3.04Å; K400-L403 PolarHBondContact O-N 2.98Å; K400-A404 PolarHBondContact O-N 3.09Å
401E96.7Very high94.1Very high154 Ų15474.4 Ų74.472%0.7241%0.413SS*.Hα-helixtrans-60.5-43.4176.2-172.3-173.8164.500111.3D397 A398 A399 L403 A404D397-E401 WeakPolarHBondContact O-CB 3.33Å; D397-E401 PolarHBondContact O-N 3.28Å; A398-E401 PolarHBondContact O-N 3.27Å; A399-E401 PolarHBondContact O-N 3.04Å; E401-L403 VanDerWaalsContact C-N 3.35Å; E401-L403 PolarHBondContact O-N 2.84Å; E401-A404 PolarHBondContact O-N 2.97Å
402V96.6Very high94.8Very high28 Ų2868.6 Ų68.617%0.1738%0.382CS..Hα-helixtrans-60.6-44.3175.5169.30000111.3A398 A399 K400 A404 G405 V408 M450 P451 V454 V460A398-V402 WeakPolarHBondContact O-CG2 3.45Å; A398-V402 PolarHBondContact O-N 3.32Å; A399-V402 PolarHBondContact O-N 3.33Å; K400-V402 VanDerWaalsContact C-N 3.32Å; K400-V402 PolarHBondContact O-N 3.04Å; V402-A404 VanDerWaalsContact C-N 3.3Å; V402-A404 PolarHBondContact O-N 3.31Å; V402-G405 PolarHBondContact O-N 3.12Å; V402-V408 WeakPolarHBondContact O-CG2 3.35Å; V402-M450 HydrophobicContact CG1-CB 4.06Å; V402-M450 HydrophobicContact CG1-CG 4.03Å; V402-M450 HydrophobicContact CG2-CG 4.1Å; V402-P451 HydrophobicContact CG1-CG 4.3Å; V402-V454 HydrophobicContact CB-CG2 4.16Å; V402-V454 HydrophobicContact CG1-CB 4.43Å; V402-V454 HydrophobicContact CG1-CG2 3.92Å; V402-V460 HydrophobicContact CG2-CG1 4.05Å
403L96.4Very high95.3Very high30 Ų3064.5 Ų64.516%0.15737%0.372CS..Hα-helixtrans-70.5-22.6-178.8-70174.3000113.7L395 A399 K400 E401 G405 V408 L412 V454 A455 V484L395-L403 HydrophobicContact CD1-CD1 3.67Å; L395-L403 HydrophobicContact CD2-CD1 4.34Å; A399-L403 WeakPolarHBondContact O-CG 3.47Å; A399-L403 PolarHBondContact O-N 2.65Å; K400-L403 PolarHBondContact O-N 2.98Å; E401-L403 VanDerWaalsContact C-N 3.35Å; E401-L403 PolarHBondContact O-N 2.84Å; L403-G405 PolarHBondContact O-N 2.86Å; L403-V408 HydrophobicContact CD2-CG1 4.19Å; L403-V408 WeakPolarHBondContact O-CG1 3.48Å; L403-L412 HydrophobicContact CD2-CD1 4.13Å; L403-V454 HydrophobicContact CD1-CG1 3.78Å; L403-V454 HydrophobicContact CD2-CB 4.38Å; L403-V454 HydrophobicContact CD2-CG1 4.08Å; L403-V454 HydrophobicContact CG-CB 4.43Å; L403-V454 HydrophobicContact CG-CG1 3.71Å; L403-A455 HydrophobicContact CD2-CB 4.33Å; L403-V484 HydrophobicContact CD1-CB 4.02Å; L403-V484 HydrophobicContact CD1-CG1 4Å; L403-V484 HydrophobicContact CD2-CG2 4.47Å
404A95.6Very high95.6Very high85 Ų8563.8 Ų63.870%0.70237%0.369SS*.THydrogen-bonded Turntrans-77.3-2.6177.700000114.3K400 E401 V402K400-A404 PolarHBondContact O-N 3.09Å; E401-A404 PolarHBondContact O-N 2.97Å; V402-A404 VanDerWaalsContact C-N 3.3Å; V402-A404 PolarHBondContact O-N 3.31Å
405G94.2Very high96.1Very high32 Ų3256.7 Ų56.733%0.3334%0.336SS..SBendtrans-65.9140.4-179.300000113.6V402 L403 G407 V408V402-G405 PolarHBondContact O-N 3.12Å; L403-G405 PolarHBondContact O-N 2.86Å; G405-G407 VanDerWaalsContact C-N 3.26Å; G405-G407 PolarHBondContact O-N 2.84Å; G405-G407 VanDerWaalsContact O-N 3.12Å; G405-V408 WeakPolarHBondContact O-CB 3.17Å; G405-V408 WeakPolarHBondContact O-CG2 3.43Å; G405-V408 PolarHBondContact O-N 3.25Å
406E93.1Very high96.3Very high197 Ų19756.8 Ų56.892%0.92133%0.334SS*.THydrogen-bonded Turntrans-54.7-36.4-175.9-77.5-173.915200114.4V408E406-V408 VanDerWaalsContact C-N 3.32Å
407G94.1Very high96.5Very high32 Ų3255.3 Ų55.333%0.3333%0.334SS..THydrogen-bonded Turntrans-79.5-11.5-179.700000114.6G405 T410 V411G405-G407 VanDerWaalsContact C-N 3.26Å; G405-G407 PolarHBondContact O-N 2.84Å; G405-G407 VanDerWaalsContact O-N 3.12Å; G407-T410 PolarHBondContact O-N 3.02Å; G407-V411 WeakPolarHBondContact O-CG2 3.31Å; G407-V411 PolarHBondContact O-N 2.94Å; G407-V411 VanDerWaalsContact O-N 3.1Å
408V96.9Very high96.6Very high9 Ų951.7 Ų51.76%0.05531%0.313CS..Hα-helixtrans-60.3-50-171.3172.30000112.4V402 L403 G405 E406 T410 V411 L412 P451V402-V408 WeakPolarHBondContact O-CG2 3.35Å; L403-V408 HydrophobicContact CD2-CG1 4.19Å; L403-V408 WeakPolarHBondContact O-CG1 3.48Å; G405-V408 WeakPolarHBondContact O-CB 3.17Å; G405-V408 WeakPolarHBondContact O-CG2 3.43Å; G405-V408 PolarHBondContact O-N 3.25Å; E406-V408 VanDerWaalsContact C-N 3.32Å; V408-T410 PolarHBondContact O-N 2.94Å; V408-V411 PolarHBondContact O-N 2.95Å; V408-V411 VanDerWaalsContact O-N 3.09Å; V408-L412 HydrophobicContact CG1-CD1 3.56Å; V408-L412 HydrophobicContact CG1-CG 3.84Å; V408-L412 WeakPolarHBondContact O-CG 3.47Å; V408-L412 PolarHBondContact O-N 3.42Å; V408-P451 HydrophobicContact CB-CB 4.47Å; V408-P451 HydrophobicContact CG1-CB 4.12Å; V408-P451 HydrophobicContact CG2-CB 4Å; V408-P451 HydrophobicContact CG2-CG 3.76Å
409P97.3Very high96.7Very high85 Ų8549.7 Ų49.755%0.55230%0.296SS*.Hα-helixtrans-59.1-35.8-178.1-2535.9000112.6A413P409-A413 WeakPolarHBondContact O-CB 3.46Å; P409-A413 PolarHBondContact O-N 2.92Å
410T97.2Very high96.8Very high81 Ų8154.4 Ų54.450%0.49732%0.318SS..Hα-helixtrans-68.8-44.1178.3-55.40000111.2G407 V408 A414 T441G407-T410 PolarHBondContact O-N 3.02Å; V408-T410 PolarHBondContact O-N 2.94Å; T410-A414 WeakPolarHBondContact O-CB 3.46Å; T410-A414 PolarHBondContact O-N 2.81Å; T410-T441 HydrophobicContact CG2-CG2 3.9Å
411V98Very high96.7Very high0 Ų053.1 Ų53.10%032%0.323CS..Hα-helixtrans-64.7-48177.9170.40000111.4G407 V408 A414 F415 V437 I443 L448 P451 I452G407-V411 WeakPolarHBondContact O-CG2 3.31Å; G407-V411 PolarHBondContact O-N 2.94Å; G407-V411 VanDerWaalsContact O-N 3.1Å; V408-V411 PolarHBondContact O-N 2.95Å; V408-V411 VanDerWaalsContact O-N 3.09Å; V411-A414 PolarHBondContact O-N 3.13Å; V411-F415 WeakPolarHBondContact O-CB 3.44Å; V411-F415 PolarHBondContact O-N 3.5Å; V411-V437 HydrophobicContact CG1-CG1 4.3Å; V411-I443 HydrophobicContact CG2-CB 4.09Å; V411-I443 HydrophobicContact CG2-CD1 3.51Å; V411-I443 HydrophobicContact CG2-CG1 4.39Å; V411-I443 HydrophobicContact CG2-CG2 3.96Å; V411-L448 HydrophobicContact CG1-CD1 3.95Å; V411-L448 HydrophobicContact CG2-CD1 4.43Å; V411-P451 HydrophobicContact CG1-CB 4.47Å; V411-I452 HydrophobicContact CG1-CD1 3.97Å; V411-I452 HydrophobicContact CG1-CG1 3.73Å
412L98.2Very high96.6Very high2 Ų246.9 Ų46.91%0.0129%0.294CS..Hα-helixtrans-67.8-41.3-176.2-63.5-173.3000111.8L403 V408 A414 F415 K416 P451 I452 A455 L481 V484 M485L403-L412 HydrophobicContact CD2-CD1 4.13Å; V408-L412 HydrophobicContact CG1-CD1 3.56Å; V408-L412 HydrophobicContact CG1-CG 3.84Å; V408-L412 WeakPolarHBondContact O-CG 3.47Å; V408-L412 PolarHBondContact O-N 3.42Å; L412-A414 PolarHBondContact O-N 2.94Å; L412-F415 PolarHBondContact O-N 3.34Å; L412-K416 VanDerWaalsContact O-CB 3.29Å; L412-K416 WeakPolarHBondContact O-CB 3.45Å; L412-K416 PolarHBondContact O-N 3.25Å; L412-P451 HydrophobicContact CD2-CB 4.18Å; L412-I452 HydrophobicContact CD2-CG1 4.43Å; L412-A455 HydrophobicContact CD1-CB 3.9Å; L412-A455 HydrophobicContact CD2-CB 3.55Å; L412-A455 HydrophobicContact CG-CB 4.38Å; L412-L481 HydrophobicContact CD2-CD2 4.05Å; L412-V484 HydrophobicContact CD1-CG2 4.21Å; L412-M485 HydrophobicContact CB-CE 4.46Å; L412-M485 HydrophobicContact CB-CG 3.84Å; L412-M485 HydrophobicContact CB-SD 3.84Å; L412-M485 HydrophobicContact CD1-CG 4.03Å
413A97.9Very high96.5Very high48 Ų4854.8 Ų54.840%0.39733%0.329SS..Hα-helixtrans-61.1-45.3175.400000112.3P409 A417 M485P409-A413 WeakPolarHBondContact O-CB 3.46Å; P409-A413 PolarHBondContact O-N 2.92Å; A413-A417 PolarHBondContact O-N 3.06Å; A413-A417 VanDerWaalsContact O-N 3.1Å; A413-M485 HydrophobicContact CB-CE 3.91Å
414A97.9Very high96.4Very high8 Ų857.3 Ų57.37%0.06635%0.346CS..Hα-helixtrans-65.2-42.4176.900000111.8T410 V411 L412 A417 Q418 V437 T441T410-A414 WeakPolarHBondContact O-CB 3.46Å; T410-A414 PolarHBondContact O-N 2.81Å; V411-A414 PolarHBondContact O-N 3.13Å; L412-A414 PolarHBondContact O-N 2.94Å; A414-A417 PolarHBondContact O-N 2.84Å; A414-Q418 WeakPolarHBondContact O-CG 3.2Å; A414-Q418 PolarHBondContact O-N 2.82Å; A414-V437 HydrophobicContact CB-CB 4.48Å; A414-V437 HydrophobicContact CB-CG1 3.89Å; A414-V437 HydrophobicContact CB-CG2 4.14Å; A414-T441 HydrophobicContact CB-CG2 3.88Å
415F98.2Very high96.3Very high0 Ų054.7 Ų54.70%032%0.321CS..Hα-helixtrans-66.2-42.1178.1-176.7-110.2000112.5V411 L412 A417 Q418 L419 V430 I434 V437 I452 V456 V469 L481V411-F415 WeakPolarHBondContact O-CB 3.44Å; V411-F415 PolarHBondContact O-N 3.5Å; L412-F415 PolarHBondContact O-N 3.34Å; F415-A417 VanDerWaalsContact C-N 3.34Å; F415-A417 PolarHBondContact O-N 2.83Å; F415-Q418 PolarHBondContact O-N 3.16Å; F415-L419 HydrophobicContact CE1-CD2 4.17Å; F415-L419 WeakPolarHBondContact O-CB 3.34Å; F415-L419 PolarHBondContact O-N 3.23Å; F415-V430 HydrophobicContact CZ-CG1 4.39Å; F415-I434 HydrophobicContact CD2-CG1 4.06Å; F415-I434 HydrophobicContact CE2-CD1 4.42Å; F415-I434 HydrophobicContact CE2-CG1 3.59Å; F415-I434 HydrophobicContact CZ-CG1 4.45Å; F415-V437 VanDerWaalsContact CA-CG2 3.49Å; F415-V437 HydrophobicContact CB-CG2 3.92Å; F415-V437 HydrophobicContact CD2-CG2 4.18Å; F415-I452 HydrophobicContact CB-CD1 4.04Å; F415-I452 HydrophobicContact CB-CG1 4.17Å; F415-I452 HydrophobicContact CD1-CD1 4.49Å; F415-I452 HydrophobicContact CD1-CG1 4.27Å; F415-I452 HydrophobicContact CD1-CG2 3.55Å; F415-I452 HydrophobicContact CD2-CD1 3.89Å; F415-I452 HydrophobicContact CD2-CG2 4.27Å; F415-I452 HydrophobicContact CE1-CG2 3.42Å; F415-I452 VanDerWaalsContact CE1-CG2 3.42Å; F415-I452 HydrophobicContact CE2-CG2 4.17Å; F415-I452 HydrophobicContact CG-CD1 3.87Å; F415-I452 HydrophobicContact CG-CG1 4.06Å; F415-I452 HydrophobicContact CG-CG2 3.98Å; F415-I452 HydrophobicContact CZ-CG2 3.75Å; F415-V456 HydrophobicContact CE1-CG2 4Å; F415-V469 HydrophobicContact CZ-CG2 4.48Å; F415-L481 HydrophobicContact CD1-CD1 3.97Å; F415-L481 HydrophobicContact CD1-CD2 4.24Å; F415-L481 HydrophobicContact CE1-CD1 4.18Å
416K98.1Very high96.4Very high44 Ų4455.4 Ų55.419%0.19132%0.317CS..Hα-helixtrans-56.4-48.9174.4-177.9179171.5-179.70110.8L412 Q418 L419 E420 L478 L481 D482 M485L412-K416 VanDerWaalsContact O-CB 3.29Å; L412-K416 WeakPolarHBondContact O-CB 3.45Å; L412-K416 PolarHBondContact O-N 3.25Å; K416-Q418 VanDerWaalsContact C-N 3.34Å; K416-Q418 PolarHBondContact O-N 3.17Å; K416-L419 PolarHBondContact O-N 3.47Å; K416-E420 WeakPolarHBondContact CE-OE1 3.47Å; K416-E420 HydrophobicContact CG-CG 4.39Å; K416-E420 IonicContact NZ-OE1 3.57Å; K416-E420 WeakPolarHBondContact O-CB 3.49Å; K416-E420 WeakPolarHBondContact O-CG 3.32Å; K416-E420 PolarHBondContact O-N 2.79Å; K416-L478 HydrophobicContact CG-CD2 3.87Å; K416-L481 HydrophobicContact CB-CD1 4.25Å; K416-D482 VanDerWaalsContact CE-OD1 3.28Å; K416-D482 WeakPolarHBondContact CE-OD1 3.48Å; K416-D482 IonicContact NZ-OD1 3.94Å; K416-D482 PolarHBondContact NZ-OD1 3Å; K416-D482 IonicContact NZ-OD2 2.6Å; K416-M485 HydrophobicContact CB-SD 4.23Å; K416-M485 HydrophobicContact CD-CE 4.32Å; K416-M485 HydrophobicContact CD-SD 3.96Å
417A97.6Very high96.6Very high50 Ų5046.7 Ų46.741%0.41328%0.279SS..Hα-helixtrans-60.5-42.3178.100000112.5A413 A414 F415 S421A413-A417 PolarHBondContact O-N 3.06Å; A413-A417 VanDerWaalsContact O-N 3.1Å; A414-A417 PolarHBondContact O-N 2.84Å; F415-A417 VanDerWaalsContact C-N 3.34Å; F415-A417 PolarHBondContact O-N 2.83Å; A417-S421 PolarHBondContact O-N 2.71Å
418Q97.5Very high96.7Very high50 Ų5048.6 Ų48.623%0.23429%0.292CS..Hα-helixtrans-61.8-46.3174.8-68.5-66.6-33.700111.3A414 F415 K416 S421 L422 A436 V437A414-Q418 WeakPolarHBondContact O-CG 3.2Å; A414-Q418 PolarHBondContact O-N 2.82Å; F415-Q418 PolarHBondContact O-N 3.16Å; K416-Q418 VanDerWaalsContact C-N 3.34Å; K416-Q418 PolarHBondContact O-N 3.17Å; Q418-S421 PolarHBondContact O-N 3.02Å; Q418-S421 PolarHBondContact O-OG 2.96Å; Q418-L422 PolarHBondContact O-N 2.72Å; Q418-A436 HydrophobicContact CG-CB 4.36Å; Q418-V437 HydrophobicContact CG-CG2 3.89Å
419L96.9Very high96.8Very high0 Ų051 Ų510%031%0.305CS..Hα-helixtrans-65.9-39.9-179.1-173.260.5000112.2F415 K416 S421 L422 V425 V469 K474 A477 L478 L481F415-L419 HydrophobicContact CE1-CD2 4.17Å; F415-L419 WeakPolarHBondContact O-CB 3.34Å; F415-L419 PolarHBondContact O-N 3.23Å; K416-L419 PolarHBondContact O-N 3.47Å; L419-S421 PolarHBondContact O-N 3.42Å; L419-L422 HydrophobicContact CD1-CD1 4.05Å; L419-L422 PolarHBondContact O-N 3.19Å; L419-V425 HydrophobicContact CD1-CG1 4.44Å; L419-V425 HydrophobicContact CD1-CG2 4.24Å; L419-V469 HydrophobicContact CD1-CG1 4.19Å; L419-K474 WeakPolarHBondContact O-CE 3.06Å; L419-K474 PolarHBondContact O-NZ 3.42Å; L419-A477 HydrophobicContact CD2-CB 3.79Å; L419-L478 HydrophobicContact CB-CD2 4.2Å; L419-L478 HydrophobicContact CD2-CD2 3.89Å; L419-L478 HydrophobicContact CD2-CG 4.05Å; L419-L478 HydrophobicContact CG-CD2 4.08Å; L419-L478 HydrophobicContact CG-CG 4.3Å; L419-L481 HydrophobicContact CD2-CD1 4Å
420E97.1Very high96.8Very high100 Ų10047 Ų4747%0.46728%0.279SS..Hα-helixtrans-59.6-35.5173.2-75.8176.6161.500112.1K416 K474 L478K416-E420 WeakPolarHBondContact CE-OE1 3.47Å; K416-E420 HydrophobicContact CG-CG 4.39Å; K416-E420 IonicContact NZ-OE1 3.57Å; K416-E420 WeakPolarHBondContact O-CB 3.49Å; K416-E420 WeakPolarHBondContact O-CG 3.32Å; K416-E420 PolarHBondContact O-N 2.79Å; E420-K474 WeakPolarHBondContact O-CE 3.42Å; E420-K474 PolarHBondContact O-NZ 3.2Å; E420-L478 HydrophobicContact CG-CD1 4Å; E420-L478 HydrophobicContact CG-CD2 3.72Å
421S95.8Very high96.8Very high81 Ų8146.6 Ų46.657%0.56627%0.273SS*.Hα-helixtrans-79.5-15.4-179.776.10000114.7A417 Q418 L419 E423A417-S421 PolarHBondContact O-N 2.71Å; Q418-S421 PolarHBondContact O-N 3.02Å; Q418-S421 PolarHBondContact O-OG 2.96Å; L419-S421 PolarHBondContact O-N 3.42Å; S421-E423 PolarHBondContact O-N 2.81Å
422L94.9Very high96.8Very high22 Ų2249.2 Ų49.212%0.11530%0.295CS..  trans-69.8125.6179.5-77.7178000111.3Q418 L419 V425 N429 V430 S433 K474Q418-L422 PolarHBondContact O-N 2.72Å; L419-L422 HydrophobicContact CD1-CD1 4.05Å; L419-L422 PolarHBondContact O-N 3.19Å; L422-V425 HydrophobicContact CB-CG2 4.4Å; L422-N429 HydrophobicContact CD1-CB 4.41Å; L422-N429 HydrophobicContact CD2-CB 3.89Å; L422-V430 HydrophobicContact CD1-CG2 4.49Å; L422-S433 WeakPolarHBondContact CD1-OG 3.3Å; L422-K474 PolarHBondContact O-NZ 2.94Å
423E92.8Very high96.8Very high194 Ų19449.4 Ų49.491%0.90730%0.296SS*.SBendtrans-74.7-43.9170.9-72.2-173.4165.500111.7S421S421-E423 PolarHBondContact O-N 2.81Å
424T94.2Very high96.8Very high84 Ų8447.1 Ų47.152%0.51528%0.277SS..SBendtrans-117.1127.5177.3-56.70000109.2D426T424-D426 HydrophobicContact CG2-CB 4.48Å; T424-D426 PolarHBondContact O-N 2.94Å
425V95Very high96.8Very high30 Ų3051.7 Ų51.718%0.18230%0.295CS..  trans-97.888174.6-176.30000108.3L419 L422 V430 V469 E470 K474L419-V425 HydrophobicContact CD1-CG1 4.44Å; L419-V425 HydrophobicContact CD1-CG2 4.24Å; L422-V425 HydrophobicContact CB-CG2 4.4Å; V425-V430 HydrophobicContact CG1-CG2 3.79Å; V425-V469 HydrophobicContact CG1-CG1 4.15Å; V425-E470 WeakPolarHBondContact O-CG 3.41Å; V425-K474 HydrophobicContact CG2-CB 3.69Å; V425-K474 HydrophobicContact CG2-CD 4.11Å; V425-K474 HydrophobicContact CG2-CG 4.06Å
426D96.1Very high96.7Very high46 Ų4653.2 Ų53.225%0.24631%0.308CS..  trans-113.2158.8167.561.859.3000110.2T424 A428 N429 V430T424-D426 HydrophobicContact CG2-CB 4.48Å; T424-D426 PolarHBondContact O-N 2.94Å; D426-A428 PolarHBondContact O-N 3.3Å; D426-A428 WeakPolarHBondContact OD1-CB 3.47Å; D426-A428 PolarHBondContact OD1-N 2.66Å; D426-A428 VanDerWaalsContact OD1-N 3.17Å; D426-N429 VanDerWaalsContact CG-ND2 3.33Å; D426-N429 PolarHBondContact O-N 3.18Å; D426-N429 VanDerWaalsContact OD1-CB 3.3Å; D426-N429 WeakPolarHBondContact OD1-CB 3.28Å; D426-N429 PolarHBondContact OD1-N 2.77Å; D426-N429 PolarHBondContact OD1-ND2 3.08Å; D426-N429 PolarHBondContact OD2-ND2 2.57Å; D426-V430 WeakPolarHBondContact O-CG2 3.22Å; D426-V430 PolarHBondContact O-N 2.73Å
427A96.4Very high96.7Very high15 Ų1551.1 Ų51.112%0.12430%0.299CS..Hα-helixtrans-56.8-34.7-178.700000113.1L431 P466 E467 E470A427-L431 VanDerWaalsContact O-CB 3.26Å; A427-L431 WeakPolarHBondContact O-CB 3.49Å; A427-L431 PolarHBondContact O-N 2.7Å; A427-P466 HydrophobicContact CB-CB 3.95Å; A427-P466 WeakPolarHBondContact O-CB 3.25Å; A427-E467 HydrophobicContact CB-CG 3.93Å; A427-E470 WeakPolarHBondContact CA-OE2 3.3Å; A427-E470 WeakPolarHBondContact CB-OE2 3.2Å; A427-E470 PolarHBondContact N-OE2 3.06Å
428A97.5Very high96.7Very high71 Ų7150.9 Ų50.959%0.58729%0.289SS*.Hα-helixtrans-67-44.5179.600000111.5D426 L431 A432D426-A428 PolarHBondContact O-N 3.3Å; D426-A428 WeakPolarHBondContact OD1-CB 3.47Å; D426-A428 PolarHBondContact OD1-N 2.66Å; D426-A428 VanDerWaalsContact OD1-N 3.17Å; A428-L431 PolarHBondContact O-N 3.01Å; A428-A432 WeakPolarHBondContact O-CB 3.43Å; A428-A432 PolarHBondContact O-N 3.15Å
429N97.8Very high96.7Very high61 Ų6157.5 Ų57.533%0.32632%0.317SS..Hα-helixtrans-68.6-40.8177-79.1-35.6000111.8L422 D426 L431 A432 S433L422-N429 HydrophobicContact CD1-CB 4.41Å; L422-N429 HydrophobicContact CD2-CB 3.89Å; D426-N429 VanDerWaalsContact CG-ND2 3.33Å; D426-N429 PolarHBondContact O-N 3.18Å; D426-N429 VanDerWaalsContact OD1-CB 3.3Å; D426-N429 WeakPolarHBondContact OD1-CB 3.28Å; D426-N429 PolarHBondContact OD1-N 2.77Å; D426-N429 PolarHBondContact OD1-ND2 3.08Å; D426-N429 PolarHBondContact OD2-ND2 2.57Å; N429-L431 VanDerWaalsContact C-N 3.35Å; N429-L431 PolarHBondContact O-N 3.3Å; N429-A432 WeakPolarHBondContact O-CB 3.2Å; N429-A432 PolarHBondContact O-N 3.22Å; N429-S433 PolarHBondContact O-N 3.03Å; N429-S433 PolarHBondContact O-OG 3.03Å
430V97.9Very high96.7Very high1 Ų163.6 Ų63.61%0.00635%0.346CS..Hα-helixtrans-61.3-44.6173.7174.50000110.9F415 L422 V425 D426 A432 S433 I434 P466 V469F415-V430 HydrophobicContact CZ-CG1 4.39Å; L422-V430 HydrophobicContact CD1-CG2 4.49Å; V425-V430 HydrophobicContact CG1-CG2 3.79Å; D426-V430 WeakPolarHBondContact O-CG2 3.22Å; D426-V430 PolarHBondContact O-N 2.73Å; V430-A432 VanDerWaalsContact C-N 3.32Å; V430-A432 PolarHBondContact O-N 2.59Å; V430-S433 WeakPolarHBondContact O-CB 3.32Å; V430-S433 PolarHBondContact O-N 2.84Å; V430-I434 HydrophobicContact CG1-CD1 4.12Å; V430-I434 WeakPolarHBondContact O-CG1 3.34Å; V430-I434 PolarHBondContact O-N 3.35Å; V430-P466 HydrophobicContact CB-CB 4.26Å; V430-P466 HydrophobicContact CG1-CB 4.19Å; V430-V469 HydrophobicContact CG1-CB 3.85Å; V430-V469 HydrophobicContact CG1-CG1 3.99Å; V430-V469 HydrophobicContact CG1-CG2 3.94Å; V430-V469 HydrophobicContact CG2-CB 4.03Å; V430-V469 HydrophobicContact CG2-CG1 3.65Å
431L97.9Very high96.7Very high72 Ų7260.4 Ų60.438%0.37733%0.333SS..Hα-helixtrans-59.9-44175.717760.7000111.2A427 A428 N429 S433 I434 K435 W449 P466A427-L431 VanDerWaalsContact O-CB 3.26Å; A427-L431 WeakPolarHBondContact O-CB 3.49Å; A427-L431 PolarHBondContact O-N 2.7Å; A428-L431 PolarHBondContact O-N 3.01Å; N429-L431 VanDerWaalsContact C-N 3.35Å; N429-L431 PolarHBondContact O-N 3.3Å; L431-S433 VanDerWaalsContact C-N 3.33Å; L431-S433 PolarHBondContact O-N 2.85Å; L431-I434 PolarHBondContact O-N 2.88Å; L431-K435 WeakPolarHBondContact O-CG 3.37Å; L431-K435 PolarHBondContact O-N 3Å; L431-W449 HydrophobicContact CD1-CH2 3.59Å; L431-W449 HydrophobicContact CD1-CZ2 4.33Å; L431-P466 HydrophobicContact CB-CB 4.29Å; L431-P466 HydrophobicContact CB-CG 4.08Å; L431-P466 HydrophobicContact CD1-CG 4.33Å
432A97.6Very high96.7Very high55 Ų5559 Ų5946%0.45533%0.331SS..Hα-helixtrans-60.6-41.7176.100000111.9A428 N429 V430 K435 A436A428-A432 WeakPolarHBondContact O-CB 3.43Å; A428-A432 PolarHBondContact O-N 3.15Å; N429-A432 WeakPolarHBondContact O-CB 3.2Å; N429-A432 PolarHBondContact O-N 3.22Å; V430-A432 VanDerWaalsContact C-N 3.32Å; V430-A432 PolarHBondContact O-N 2.59Å; A432-K435 WeakPolarHBondContact O-CB 3.48Å; A432-K435 PolarHBondContact O-N 3.14Å; A432-A436 PolarHBondContact O-N 3.17Å
433S97.6Very high96.8Very high5 Ų559.6 Ų59.64%0.03533%0.334CS..Hα-helixtrans-61-45.4173.9-68.70000112.2L422 N429 V430 L431 K435 A436 V437L422-S433 WeakPolarHBondContact CD1-OG 3.3Å; N429-S433 PolarHBondContact O-N 3.03Å; N429-S433 PolarHBondContact O-OG 3.03Å; V430-S433 WeakPolarHBondContact O-CB 3.32Å; V430-S433 PolarHBondContact O-N 2.84Å; L431-S433 VanDerWaalsContact C-N 3.33Å; L431-S433 PolarHBondContact O-N 2.85Å; S433-K435 VanDerWaalsContact C-N 3.27Å; S433-K435 PolarHBondContact O-N 2.96Å; S433-A436 WeakPolarHBondContact O-CB 3.49Å; S433-A436 PolarHBondContact O-N 3.19Å; S433-V437 WeakPolarHBondContact O-CG2 3.29Å; S433-V437 PolarHBondContact O-N 3.14Å
434I97.9Very high96.9Very high0 Ų057 Ų570%032%0.319CS..Hα-helixtrans-60.7-38.8175.8-63.8168.5000110.8F415 V430 L431 A436 V437 Q438 L448 W449 I452 L465F415-I434 HydrophobicContact CD2-CG1 4.06Å; F415-I434 HydrophobicContact CE2-CD1 4.42Å; F415-I434 HydrophobicContact CE2-CG1 3.59Å; F415-I434 HydrophobicContact CZ-CG1 4.45Å; V430-I434 HydrophobicContact CG1-CD1 4.12Å; V430-I434 WeakPolarHBondContact O-CG1 3.34Å; V430-I434 PolarHBondContact O-N 3.35Å; L431-I434 PolarHBondContact O-N 2.88Å; I434-A436 VanDerWaalsContact C-N 3.35Å; I434-V437 PolarHBondContact O-N 3.43Å; I434-Q438 PolarHBondContact O-N 3.34Å; I434-L448 HydrophobicContact CG2-CD2 4.01Å; I434-L448 HydrophobicContact CG2-CG 4.29Å; I434-W449 HydrophobicContact CB-CH2 4.43Å; I434-W449 HydrophobicContact CD1-CE3 4.21Å; I434-W449 HydrophobicContact CD1-CH2 4.15Å; I434-W449 HydrophobicContact CD1-CZ3 3.64Å; I434-W449 HydrophobicContact CG2-CD2 4.22Å; I434-W449 HydrophobicContact CG2-CE3 4.22Å; I434-W449 HydrophobicContact CG2-CH2 3.85Å; I434-W449 HydrophobicContact CG2-CZ2 3.82Å; I434-W449 HydrophobicContact CG2-CZ3 4.05Å; I434-I452 HydrophobicContact CG1-CD1 4.23Å; I434-I452 HydrophobicContact CG2-CD1 4.3Å; I434-L465 HydrophobicContact CD1-CD2 3.96Å; I434-L465 HydrophobicContact CD1-CG 4.3Å
435K97.7Very high97Very high105 Ų10555 Ų5546%0.45732%0.315SS..Hα-helixtrans-67.5-33.1174.5-65.5-63.6179.9-176.10112.8L431 A432 S433 Q438 K439L431-K435 WeakPolarHBondContact O-CG 3.37Å; L431-K435 PolarHBondContact O-N 3Å; A432-K435 WeakPolarHBondContact O-CB 3.48Å; A432-K435 PolarHBondContact O-N 3.14Å; S433-K435 VanDerWaalsContact C-N 3.27Å; S433-K435 PolarHBondContact O-N 2.96Å; K435-Q438 WeakPolarHBondContact O-CB 3.11Å; K435-Q438 PolarHBondContact O-N 3.18Å; K435-K439 PolarHBondContact O-N 2.97Å; K435-K439 VanDerWaalsContact O-N 3.13Å
436A97.5Very high97Very high32 Ų3260.9 Ų60.926%0.26434%0.339SS..Hα-helixtrans-65.7-46173.200000110.9Q418 A432 S433 I434 Q438 K439 E440Q418-A436 HydrophobicContact CG-CB 4.36Å; A432-A436 PolarHBondContact O-N 3.17Å; S433-A436 WeakPolarHBondContact O-CB 3.49Å; S433-A436 PolarHBondContact O-N 3.19Å; I434-A436 VanDerWaalsContact C-N 3.35Å; A436-Q438 VanDerWaalsContact C-N 3.28Å; A436-Q438 PolarHBondContact O-N 3.16Å; A436-K439 WeakPolarHBondContact O-CB 3.46Å; A436-K439 PolarHBondContact O-N 3.38Å; A436-E440 WeakPolarHBondContact O-CB 3.41Å; A436-E440 PolarHBondContact O-N 3.49Å
437V97.8Very high96.9Very high0 Ų064 Ų640%036%0.356CS..Hα-helixtrans-56.9-43.2173.4177.80000111.2V411 A414 F415 Q418 S433 I434 K439 E440 T441 L448V411-V437 HydrophobicContact CG1-CG1 4.3Å; A414-V437 HydrophobicContact CB-CB 4.48Å; A414-V437 HydrophobicContact CB-CG1 3.89Å; A414-V437 HydrophobicContact CB-CG2 4.14Å; F415-V437 VanDerWaalsContact CA-CG2 3.49Å; F415-V437 HydrophobicContact CB-CG2 3.92Å; F415-V437 HydrophobicContact CD2-CG2 4.18Å; Q418-V437 HydrophobicContact CG-CG2 3.89Å; S433-V437 WeakPolarHBondContact O-CG2 3.29Å; S433-V437 PolarHBondContact O-N 3.14Å; I434-V437 PolarHBondContact O-N 3.43Å; V437-K439 VanDerWaalsContact C-N 3.27Å; V437-K439 PolarHBondContact O-N 3.47Å; V437-E440 PolarHBondContact O-N 3.42Å; V437-T441 HydrophobicContact CG1-CG2 3.99Å; V437-T441 WeakPolarHBondContact O-CB 3.39Å; V437-T441 WeakPolarHBondContact O-CG2 3.29Å; V437-T441 PolarHBondContact O-N 2.92Å; V437-T441 PolarHBondContact O-OG1 3.3Å; V437-L448 HydrophobicContact CB-CD1 4.2Å; V437-L448 HydrophobicContact CG1-CD1 3.62Å
438Q97.9Very high97Very high45 Ų4563.3 Ų63.321%0.2135%0.35CS..Hα-helixtrans-56.4-42.5175.9-170.4-177.8-16.400112.1I434 K435 A436 G442 I443 K444 L448I434-Q438 PolarHBondContact O-N 3.34Å; K435-Q438 WeakPolarHBondContact O-CB 3.11Å; K435-Q438 PolarHBondContact O-N 3.18Å; A436-Q438 VanDerWaalsContact C-N 3.28Å; A436-Q438 PolarHBondContact O-N 3.16Å; Q438-G442 WeakPolarHBondContact O-CA 3.26Å; Q438-G442 PolarHBondContact O-N 3.21Å; Q438-G442 VanDerWaalsContact O-N 3.09Å; Q438-I443 WeakPolarHBondContact CG-O 3.25Å; Q438-K444 HydrophobicContact CG-CG 3.92Å; Q438-L448 HydrophobicContact CB-CD2 3.59Å; Q438-L448 HydrophobicContact CG-CD2 3.84Å
439K97.1Very high97Very high189 Ų18963 Ų6382%0.82233%0.333SS*.Hα-helixtrans-73-40.8-179-176.1-177.9175.8-173.80111.9K435 A436 V437K435-K439 PolarHBondContact O-N 2.97Å; K435-K439 VanDerWaalsContact O-N 3.13Å; A436-K439 WeakPolarHBondContact O-CB 3.46Å; A436-K439 PolarHBondContact O-N 3.38Å; V437-K439 VanDerWaalsContact C-N 3.27Å; V437-K439 PolarHBondContact O-N 3.47Å
440E96.7Very high96.9Very high128 Ų12861.9 Ų61.960%0.59833%0.327SS*.Hα-helixtrans-68.5-50.1-178.4-178.5179.6165.600111.9A436 V437A436-E440 WeakPolarHBondContact O-CB 3.41Å; A436-E440 PolarHBondContact O-N 3.49Å; V437-E440 PolarHBondContact O-N 3.42Å
441T96Very high96.9Very high33 Ų3362 Ų6220%0.20233%0.328CS..Hα-helixtrans-86.3-20.3-174.264.90000113.2T410 A414 V437 I443T410-T441 HydrophobicContact CG2-CG2 3.9Å; A414-T441 HydrophobicContact CB-CG2 3.88Å; V437-T441 HydrophobicContact CG1-CG2 3.99Å; V437-T441 WeakPolarHBondContact O-CB 3.39Å; V437-T441 WeakPolarHBondContact O-CG2 3.29Å; V437-T441 PolarHBondContact O-N 2.92Å; V437-T441 PolarHBondContact O-OG1 3.3Å; T441-I443 PolarHBondContact O-N 2.95Å; T441-I443 PolarHBondContact OG1-N 3.26Å
442G96.4Very high96.9Very high50 Ų5058.6 Ų58.652%0.51531%0.31SS..  trans72.4-3.1-170.800000114.6Q438Q438-G442 WeakPolarHBondContact O-CA 3.26Å; Q438-G442 PolarHBondContact O-N 3.21Å; Q438-G442 VanDerWaalsContact O-N 3.09Å
443I96.6Very high96.9Very high36 Ų3657.2 Ų57.219%0.18529%0.293CS..  trans-79.8138.2-178.4-61.6169.4000109.8V411 Q438 T441 N447 L448V411-I443 HydrophobicContact CG2-CB 4.09Å; V411-I443 HydrophobicContact CG2-CD1 3.51Å; V411-I443 HydrophobicContact CG2-CG1 4.39Å; V411-I443 HydrophobicContact CG2-CG2 3.96Å; Q438-I443 WeakPolarHBondContact CG-O 3.25Å; T441-I443 PolarHBondContact O-N 2.95Å; T441-I443 PolarHBondContact OG1-N 3.26Å; I443-N447 HydrophobicContact CG2-CB 3.73Å; I443-N447 WeakPolarHBondContact CG2-O 3.16Å; I443-L448 HydrophobicContact CG2-CB 4.2Å
444K96.1Very high96.8Very high138 Ų13857 Ų5760%0.629%0.291SS*.  trans-138.4167.3-172.4-52.3-176.5-177174.20111.8Q438Q438-K444 HydrophobicContact CG-CG 3.92Å
445G95Very high96.8Very high42 Ų4257 Ų5743%0.43329%0.291SS..THydrogen-bonded Turntrans61.8-144.7172.800000112.7N447 L448 W449G445-N447 PolarHBondContact O-N 2.92Å; G445-N447 VanDerWaalsContact O-N 3.11Å; G445-L448 PolarHBondContact O-N 3.16Å; G445-W449 VanDerWaalsContact O-CD1 3.26Å; G445-W449 PolarHBondContact O-N 2.95Å; G445-W449 VanDerWaalsContact O-N 3.14Å
446K94.7Very high96.7Very high154 Ų15452 Ų5267%0.6727%0.269SS*.Hα-helixtrans-50.9-39.2-177-173.8-178.3176.4-1750112.8L448 M450 P451K446-L448 PolarHBondContact O-N 3.14Å; K446-M450 HydrophobicContact CG-CB 4.12Å; K446-M450 WeakPolarHBondContact O-CB 3.19Å; K446-M450 PolarHBondContact O-N 3.2Å; K446-P451 WeakPolarHBondContact O-CD 3.2Å
447N95.7Very high96.5Very high113 Ų11350.5 Ų50.560%0.60426%0.257SS*.Hα-helixtrans-71.9-14.5-176.8-62.9-5.7000114I443 G445 P451I443-N447 HydrophobicContact CG2-CB 3.73Å; I443-N447 WeakPolarHBondContact CG2-O 3.16Å; G445-N447 PolarHBondContact O-N 2.92Å; G445-N447 VanDerWaalsContact O-N 3.11Å; N447-P451 WeakPolarHBondContact O-CG 3.38Å
448L97.2Very high96.3Very high0 Ų050.6 Ų50.60%026%0.258CS..Hα-helixtrans-94.3-53.4172.3173.668.6000110.5V411 I434 V437 Q438 I443 G445 K446 I452V411-L448 HydrophobicContact CG1-CD1 3.95Å; V411-L448 HydrophobicContact CG2-CD1 4.43Å; I434-L448 HydrophobicContact CG2-CD2 4.01Å; I434-L448 HydrophobicContact CG2-CG 4.29Å; V437-L448 HydrophobicContact CB-CD1 4.2Å; V437-L448 HydrophobicContact CG1-CD1 3.62Å; Q438-L448 HydrophobicContact CB-CD2 3.59Å; Q438-L448 HydrophobicContact CG-CD2 3.84Å; I443-L448 HydrophobicContact CG2-CB 4.2Å; G445-L448 PolarHBondContact O-N 3.16Å; K446-L448 PolarHBondContact O-N 3.14Å; L448-I452 HydrophobicContact CD1-CD1 4.17Å; L448-I452 WeakPolarHBondContact O-CD1 3.46Å; L448-I452 WeakPolarHBondContact O-CG1 3.28Å
449W97.3Very high96Very high63 Ų6350.7 Ų50.724%0.23926%0.262CS..Hα-helixtrans-75.2-37.7-168.3-71.591.1000113L431 I434 G445 R453 L465L431-W449 HydrophobicContact CD1-CH2 3.59Å; L431-W449 HydrophobicContact CD1-CZ2 4.33Å; I434-W449 HydrophobicContact CB-CH2 4.43Å; I434-W449 HydrophobicContact CD1-CE3 4.21Å; I434-W449 HydrophobicContact CD1-CH2 4.15Å; I434-W449 HydrophobicContact CD1-CZ3 3.64Å; I434-W449 HydrophobicContact CG2-CD2 4.22Å; I434-W449 HydrophobicContact CG2-CE3 4.22Å; I434-W449 HydrophobicContact CG2-CH2 3.85Å; I434-W449 HydrophobicContact CG2-CZ2 3.82Å; I434-W449 HydrophobicContact CG2-CZ3 4.05Å; G445-W449 VanDerWaalsContact O-CD1 3.26Å; G445-W449 PolarHBondContact O-N 2.95Å; G445-W449 VanDerWaalsContact O-N 3.14Å; W449-R453 WeakPolarHBondContact O-CB 3.38Å; W449-R453 PolarHBondContact O-N 3.15Å; W449-L465 HydrophobicContact CE3-CB 4.47Å; W449-L465 HydrophobicContact CE3-CD2 3.9Å; W449-L465 HydrophobicContact CZ3-CB 4.49Å; W449-L465 HydrophobicContact CZ3-CD2 4.36Å
450M96.8Very high95.9Very high39 Ų3942.7 Ų42.719%0.19223%0.229CC..Hα-helixtrans-74.9-40.3-172.4-146.646.238.600113.6V402 K446 I452 R453 V454V402-M450 HydrophobicContact CG1-CB 4.06Å; V402-M450 HydrophobicContact CG1-CG 4.03Å; V402-M450 HydrophobicContact CG2-CG 4.1Å; K446-M450 HydrophobicContact CG-CB 4.12Å; K446-M450 WeakPolarHBondContact O-CB 3.19Å; K446-M450 PolarHBondContact O-N 3.2Å; M450-I452 VanDerWaalsContact C-N 3.35Å; M450-I452 PolarHBondContact O-N 3.07Å; M450-R453 PolarHBondContact O-N 3.48Å; M450-R453 HydrophobicContact SD-CB 4.27Å; M450-V454 WeakPolarHBondContact O-CG2 3.38Å; M450-V454 PolarHBondContact O-N 3.15Å
451P97.4Very high95.6Very high4 Ų444.3 Ų44.33%0.02624%0.236CC..Hα-helixtrans-57.7-45.9170.8-29.139.3000112.7V402 V408 V411 L412 K446 N447 R453 V454 A455V402-P451 HydrophobicContact CG1-CG 4.3Å; V408-P451 HydrophobicContact CB-CB 4.47Å; V408-P451 HydrophobicContact CG1-CB 4.12Å; V408-P451 HydrophobicContact CG2-CB 4Å; V408-P451 HydrophobicContact CG2-CG 3.76Å; V411-P451 HydrophobicContact CG1-CB 4.47Å; L412-P451 HydrophobicContact CD2-CB 4.18Å; K446-P451 WeakPolarHBondContact O-CD 3.2Å; N447-P451 WeakPolarHBondContact O-CG 3.38Å; P451-R453 PolarHBondContact O-N 3.47Å; P451-V454 PolarHBondContact O-N 3.38Å; P451-A455 WeakPolarHBondContact O-CB 3.1Å; P451-A455 PolarHBondContact O-N 3.17Å
452I97.8Very high95.3Very high0 Ų044.5 Ų44.50%024%0.244CC..Hα-helixtrans-63.3-43.8178.8-60171.5000110.5V411 L412 F415 I434 L448 M450 A455 V456 L465V411-I452 HydrophobicContact CG1-CD1 3.97Å; V411-I452 HydrophobicContact CG1-CG1 3.73Å; L412-I452 HydrophobicContact CD2-CG1 4.43Å; F415-I452 HydrophobicContact CB-CD1 4.04Å; F415-I452 HydrophobicContact CB-CG1 4.17Å; F415-I452 HydrophobicContact CD1-CD1 4.49Å; F415-I452 HydrophobicContact CD1-CG1 4.27Å; F415-I452 HydrophobicContact CD1-CG2 3.55Å; F415-I452 HydrophobicContact CD2-CD1 3.89Å; F415-I452 HydrophobicContact CD2-CG2 4.27Å; F415-I452 HydrophobicContact CE1-CG2 3.42Å; F415-I452 VanDerWaalsContact CE1-CG2 3.42Å; F415-I452 HydrophobicContact CE2-CG2 4.17Å; F415-I452 HydrophobicContact CG-CD1 3.87Å; F415-I452 HydrophobicContact CG-CG1 4.06Å; F415-I452 HydrophobicContact CG-CG2 3.98Å; F415-I452 HydrophobicContact CZ-CG2 3.75Å; I434-I452 HydrophobicContact CG1-CD1 4.23Å; I434-I452 HydrophobicContact CG2-CD1 4.3Å; L448-I452 HydrophobicContact CD1-CD1 4.17Å; L448-I452 WeakPolarHBondContact O-CD1 3.46Å; L448-I452 WeakPolarHBondContact O-CG1 3.28Å; M450-I452 VanDerWaalsContact C-N 3.35Å; M450-I452 PolarHBondContact O-N 3.07Å; I452-A455 PolarHBondContact O-N 2.98Å; I452-V456 HydrophobicContact CG2-CG2 4.26Å; I452-V456 WeakPolarHBondContact O-CB 3.15Å; I452-V456 WeakPolarHBondContact O-CG2 3.21Å; I452-V456 PolarHBondContact O-N 3.48Å; I452-L465 HydrophobicContact CB-CD2 4.03Å; I452-L465 HydrophobicContact CG2-CD2 3.81Å
453R96.9Very high95.1Very high25 Ų2542.7 Ų42.79%0.09422%0.224CC..Hα-helixtrans-57.3-53.6176.9179.8-177-72.2-75.41.9111.6W449 M450 P451 A455 V456 S457 V459 V460 P463 L465W449-R453 WeakPolarHBondContact O-CB 3.38Å; W449-R453 PolarHBondContact O-N 3.15Å; M450-R453 PolarHBondContact O-N 3.48Å; M450-R453 HydrophobicContact SD-CB 4.27Å; P451-R453 PolarHBondContact O-N 3.47Å; R453-A455 VanDerWaalsContact C-N 3.32Å; R453-A455 PolarHBondContact O-N 3.33Å; R453-V456 PolarHBondContact O-N 3.44Å; R453-S457 WeakPolarHBondContact O-CB 3.26Å; R453-S457 PolarHBondContact O-N 3.43Å; R453-S457 PolarHBondContact O-OG 2.99Å; R453-V459 WeakPolarHBondContact CG-O 3.44Å; R453-V460 WeakPolarHBondContact CD-O 3.45Å; R453-P463 VanDerWaalsContact CZ-O 3.26Å; R453-P463 PolarHBondContact NH1-O 3.49Å; R453-P463 PolarHBondContact NH2-O 3.22Å; R453-L465 HydrophobicContact CB-CD1 4.09Å; R453-L465 HydrophobicContact CB-CD2 4.29Å; R453-L465 HydrophobicContact CG-CD1 4.42Å
454V97Very high95Very high0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-63.2-42.6-178174.10000110.5L395 A399 V402 L403 M450 P451 V456 G458 V460L395-V454 HydrophobicContact CD2-CG1 3.95Å; A399-V454 HydrophobicContact CB-CG1 3.62Å; A399-V454 HydrophobicContact CB-CG2 4.4Å; V402-V454 HydrophobicContact CB-CG2 4.16Å; V402-V454 HydrophobicContact CG1-CB 4.43Å; V402-V454 HydrophobicContact CG1-CG2 3.92Å; L403-V454 HydrophobicContact CD1-CG1 3.78Å; L403-V454 HydrophobicContact CD2-CB 4.38Å; L403-V454 HydrophobicContact CD2-CG1 4.08Å; L403-V454 HydrophobicContact CG-CB 4.43Å; L403-V454 HydrophobicContact CG-CG1 3.71Å; M450-V454 WeakPolarHBondContact O-CG2 3.38Å; M450-V454 PolarHBondContact O-N 3.15Å; P451-V454 PolarHBondContact O-N 3.38Å; V454-V456 VanDerWaalsContact C-N 3.28Å; V454-V456 PolarHBondContact O-N 2.83Å; V454-G458 VanDerWaalsContact O-CA 3.26Å; V454-G458 WeakPolarHBondContact O-CA 3.42Å; V454-G458 PolarHBondContact O-N 3.34Å; V454-V460 HydrophobicContact CG2-CG1 3.8Å
455A96.4Very high94.9Very high0 Ų040.7 Ų40.70%022%0.216CC..Hα-helixtrans-67.8-25.7-178.800000114.1L393 L403 L412 P451 I452 R453 H480 L481 V484L393-A455 WeakPolarHBondContact CD1-O 3.13Å; L403-A455 HydrophobicContact CD2-CB 4.33Å; L412-A455 HydrophobicContact CD1-CB 3.9Å; L412-A455 HydrophobicContact CD2-CB 3.55Å; L412-A455 HydrophobicContact CG-CB 4.38Å; P451-A455 WeakPolarHBondContact O-CB 3.1Å; P451-A455 PolarHBondContact O-N 3.17Å; I452-A455 PolarHBondContact O-N 2.98Å; R453-A455 VanDerWaalsContact C-N 3.32Å; R453-A455 PolarHBondContact O-N 3.33Å; A455-H480 CarbonylContact O-C 3.53Å; A455-H480 VanDerWaalsContact O-C 3.3Å; A455-H480 WeakPolarHBondContact O-CB 3.45Å; A455-L481 HydrophobicContact CB-CD2 3.77Å; A455-V484 HydrophobicContact CB-CG2 3.56Å
456V95.5Very high95Very high0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-96.9-32.1179175.30000112.5F415 I452 R453 V454 V469 L472 A477 H480 L481F415-V456 HydrophobicContact CE1-CG2 4Å; I452-V456 HydrophobicContact CG2-CG2 4.26Å; I452-V456 WeakPolarHBondContact O-CB 3.15Å; I452-V456 WeakPolarHBondContact O-CG2 3.21Å; I452-V456 PolarHBondContact O-N 3.48Å; R453-V456 PolarHBondContact O-N 3.44Å; V454-V456 VanDerWaalsContact C-N 3.28Å; V454-V456 PolarHBondContact O-N 2.83Å; V456-V469 HydrophobicContact CG1-CG2 3.93Å; V456-L472 HydrophobicContact CG1-CD1 3.46Å; V456-L472 VanDerWaalsContact CG1-CD1 3.46Å; V456-L472 WeakPolarHBondContact O-CD1 3.31Å; V456-A477 HydrophobicContact CG1-CB 3.97Å; V456-H480 PolarHBondContact O-ND1 3.26Å; V456-L481 HydrophobicContact CG2-CD1 4.49Å; V456-L481 HydrophobicContact CG2-CD2 4.4Å; V456-L481 HydrophobicContact CG2-CG 4.24Å
457S93.9Very high95.1Very high2 Ų235 Ų351%0.01418%0.181CC..Hα-helixtrans-119.2-11.1-170.767.70000115.1R453 V459R453-S457 WeakPolarHBondContact O-CB 3.26Å; R453-S457 PolarHBondContact O-N 3.43Å; R453-S457 PolarHBondContact O-OG 2.99Å; S457-V459 PolarHBondContact O-N 3.42Å; S457-V459 VanDerWaalsContact OG-CG2 3.31Å; S457-V459 WeakPolarHBondContact OG-CG2 3.49Å
458G93.8Very high95.1Very high2 Ų229.7 Ų29.72%0.02115%0.152CC..SBendtrans77.3-10.6-177.100000114.8V454V454-G458 VanDerWaalsContact O-CA 3.26Å; V454-G458 WeakPolarHBondContact O-CA 3.42Å; V454-G458 PolarHBondContact O-N 3.34Å
459V92.2Very high95.1Very high46 Ų4629.7 Ų29.728%0.27915%0.152SC..  trans-114.9148.3-172.8-64.20000112.5L387 R453 S457 H461L387-V459 HydrophobicContact CD2-CG2 4.19Å; R453-V459 WeakPolarHBondContact CG-O 3.44Å; S457-V459 PolarHBondContact O-N 3.42Å; S457-V459 VanDerWaalsContact OG-CG2 3.31Å; S457-V459 WeakPolarHBondContact OG-CG2 3.49Å; V459-H461 WeakPolarHBondContact CB-O 3.49Å; V459-H461 WeakPolarHBondContact CG2-O 3.08Å
460V93.8Very high95.1Very high22 Ų2229.1 Ų29.113%0.13315%0.152CC..SBendtrans-81.2-23173.2-770000113.1A398 V402 R453 V454A398-V460 HydrophobicContact CB-CG1 4.23Å; A398-V460 HydrophobicContact CB-CG2 4.32Å; V402-V460 HydrophobicContact CG2-CG1 4.05Å; R453-V460 WeakPolarHBondContact CD-O 3.45Å; V454-V460 HydrophobicContact CG2-CG1 3.8Å
461H91.1Very high95.1Very high161 Ų16127.6 Ų27.675%0.74515%0.145SC*.SBendtrans-127.5141.7179.1-61.6-56.7000109.9V459V459-H461 WeakPolarHBondContact CB-O 3.49Å; V459-H461 WeakPolarHBondContact CG2-O 3.08Å
462G89.6Confident94.9Very high37 Ų3728.2 Ų28.238%0.38115%0.148SC..  trans173.3-173.9-179.200000111.6
463P91.9Very high94.8Very high13 Ų1329.3 Ų29.38%0.08416%0.159CC..SBendtrans-64.4177.8179.725.8-31.2000112L370 Y371 R453 L465L370-P463 HydrophobicContact CB-CB 3.9Å; L370-P463 HydrophobicContact CB-CG 4.25Å; L370-P463 HydrophobicContact CD1-CB 3.94Å; L370-P463 HydrophobicContact CD1-CG 3.8Å; L370-P463 HydrophobicContact CD2-CB 4.32Å; L370-P463 HydrophobicContact CG-CB 4.29Å; Y371-P463 HydrophobicContact CE1-CG 4.09Å; R453-P463 VanDerWaalsContact CZ-O 3.26Å; R453-P463 PolarHBondContact NH1-O 3.49Å; R453-P463 PolarHBondContact NH2-O 3.22Å; P463-L465 PolarHBondContact O-N 2.82Å
464E93.9Very high94.7Very high130 Ų13031.3 Ų31.361%0.60717%0.169SC*.  trans-55.9131.5179.8-68.8-59.3146.200111.4E467 T468E464-E467 WeakPolarHBondContact CB-OE2 3.45Å; E464-E467 PolarHBondContact O-N 3.09Å; E464-T468 WeakPolarHBondContact O-CB 3.33Å; E464-T468 PolarHBondContact O-N 3.28Å; E464-T468 PolarHBondContact O-OG1 2.67Å
465L95.8Very high94.6Very high2 Ų239.5 Ų39.51%0.0121%0.207CC..Hα-helixtrans-64.1-43.6-169.5178.361.3000112.7I434 W449 I452 R453 P463 E467 T468 V469I434-L465 HydrophobicContact CD1-CD2 3.96Å; I434-L465 HydrophobicContact CD1-CG 4.3Å; W449-L465 HydrophobicContact CE3-CB 4.47Å; W449-L465 HydrophobicContact CE3-CD2 3.9Å; W449-L465 HydrophobicContact CZ3-CB 4.49Å; W449-L465 HydrophobicContact CZ3-CD2 4.36Å; I452-L465 HydrophobicContact CB-CD2 4.03Å; I452-L465 HydrophobicContact CG2-CD2 3.81Å; R453-L465 HydrophobicContact CB-CD1 4.09Å; R453-L465 HydrophobicContact CB-CD2 4.29Å; R453-L465 HydrophobicContact CG-CD1 4.42Å; P463-L465 PolarHBondContact O-N 2.82Å; L465-E467 PolarHBondContact O-N 3.01Å; L465-T468 WeakPolarHBondContact O-CB 3.22Å; L465-T468 PolarHBondContact O-N 2.92Å; L465-V469 HydrophobicContact CD1-CG2 4.1Å; L465-V469 HydrophobicContact CG-CG2 4.44Å; L465-V469 VanDerWaalsContact O-CG2 3.29Å; L465-V469 WeakPolarHBondContact O-CG2 3.47Å; L465-V469 PolarHBondContact O-N 2.79Å
466P97.1Very high94.4Very high7 Ų741.8 Ų41.85%0.04522%0.217CC..Hα-helixtrans-58.4-45.9178.9-23.735000113.1A427 V430 L431 T468 V469 E470A427-P466 HydrophobicContact CB-CB 3.95Å; A427-P466 WeakPolarHBondContact O-CB 3.25Å; V430-P466 HydrophobicContact CB-CB 4.26Å; V430-P466 HydrophobicContact CG1-CB 4.19Å; L431-P466 HydrophobicContact CB-CB 4.29Å; L431-P466 HydrophobicContact CB-CG 4.08Å; L431-P466 HydrophobicContact CD1-CG 4.33Å; P466-T468 VanDerWaalsContact C-N 3.33Å; P466-T468 PolarHBondContact O-N 3.07Å; P466-V469 PolarHBondContact O-N 3.17Å; P466-E470 WeakPolarHBondContact O-CB 3.43Å; P466-E470 PolarHBondContact O-N 3.29Å
467E96.5Very high94.4Very high70 Ų7041.8 Ų41.833%0.32722%0.217SC..Hα-helixtrans-68.7-33.7178.6-6475.8-178.900111.5L370 A427 E464 L465 E470 I471L370-E467 HydrophobicContact CD2-CB 3.69Å; L370-E467 HydrophobicContact CD2-CG 4.33Å; A427-E467 HydrophobicContact CB-CG 3.93Å; E464-E467 WeakPolarHBondContact CB-OE2 3.45Å; E464-E467 PolarHBondContact O-N 3.09Å; L465-E467 PolarHBondContact O-N 3.01Å; E467-E470 WeakPolarHBondContact O-CB 3.39Å; E467-E470 PolarHBondContact O-N 2.86Å; E467-I471 WeakPolarHBondContact O-CG1 3.4Å; E467-I471 PolarHBondContact O-N 3.11Å
468T96.2Very high94.5Very high0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-61.1-48.8173-57.20000111.3L387 F388 E464 L465 P466 E470 I471 L472L387-T468 HydrophobicContact CD1-CG2 3.93Å; F388-T468 HydrophobicContact CE1-CG2 4.14Å; F388-T468 HydrophobicContact CZ-CG2 4.02Å; E464-T468 WeakPolarHBondContact O-CB 3.33Å; E464-T468 PolarHBondContact O-N 3.28Å; E464-T468 PolarHBondContact O-OG1 2.67Å; L465-T468 WeakPolarHBondContact O-CB 3.22Å; L465-T468 PolarHBondContact O-N 2.92Å; P466-T468 VanDerWaalsContact C-N 3.33Å; P466-T468 PolarHBondContact O-N 3.07Å; T468-E470 VanDerWaalsContact C-N 3.28Å; T468-E470 PolarHBondContact O-N 2.76Å; T468-I471 PolarHBondContact O-N 3.43Å; T468-L472 HydrophobicContact CG2-CD1 4.03Å; T468-L472 WeakPolarHBondContact O-CB 3.32Å; T468-L472 WeakPolarHBondContact O-CG 3.35Å; T468-L472 PolarHBondContact O-N 2.72Å
469V96.7Very high94.6Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-63-39.3177177.20000110.2F415 L419 V425 V430 V456 L465 P466 I471 L472 G473 A477F415-V469 HydrophobicContact CZ-CG2 4.48Å; L419-V469 HydrophobicContact CD1-CG1 4.19Å; V425-V469 HydrophobicContact CG1-CG1 4.15Å; V430-V469 HydrophobicContact CG1-CB 3.85Å; V430-V469 HydrophobicContact CG1-CG1 3.99Å; V430-V469 HydrophobicContact CG1-CG2 3.94Å; V430-V469 HydrophobicContact CG2-CB 4.03Å; V430-V469 HydrophobicContact CG2-CG1 3.65Å; V456-V469 HydrophobicContact CG1-CG2 3.93Å; L465-V469 HydrophobicContact CD1-CG2 4.1Å; L465-V469 HydrophobicContact CG-CG2 4.44Å; L465-V469 VanDerWaalsContact O-CG2 3.29Å; L465-V469 WeakPolarHBondContact O-CG2 3.47Å; L465-V469 PolarHBondContact O-N 2.79Å; P466-V469 PolarHBondContact O-N 3.17Å; V469-I471 VanDerWaalsContact C-N 3.33Å; V469-I471 PolarHBondContact O-N 3.44Å; V469-L472 PolarHBondContact O-N 3.34Å; V469-G473 PolarHBondContact O-N 2.88Å; V469-A477 HydrophobicContact CG1-CB 4.26Å
470E96.6Very high94.8Very high51 Ų5143 Ų4324%0.23823%0.227CC..Hα-helixtrans-58.2-43.4177.1-159.5-169.4134.800113.2R366 V425 A427 P466 E467 T468R366-E470 IonicContact CZ-OE1 3.93Å; R366-E470 IonicContact NE-OE1 3.35Å; R366-E470 PolarHBondContact NH2-O 3.13Å; R366-E470 IonicContact NH2-OE1 3.53Å; R366-E470 PolarHBondContact NH2-OE1 3.15Å; V425-E470 WeakPolarHBondContact O-CG 3.41Å; A427-E470 WeakPolarHBondContact CA-OE2 3.3Å; A427-E470 WeakPolarHBondContact CB-OE2 3.2Å; A427-E470 PolarHBondContact N-OE2 3.06Å; P466-E470 WeakPolarHBondContact O-CB 3.43Å; P466-E470 PolarHBondContact O-N 3.29Å; E467-E470 WeakPolarHBondContact O-CB 3.39Å; E467-E470 PolarHBondContact O-N 2.86Å; T468-E470 VanDerWaalsContact C-N 3.28Å; T468-E470 PolarHBondContact O-N 2.76Å
471I96Very high94.9Very high8 Ų841.9 Ų41.94%0.04122%0.22CC..Hα-helixtrans-80.4-35.6-177.3-67.9173.3000111.3W363 R366 V367 L370 F388 E467 T468 V469 G473W363-I471 HydrophobicContact CZ2-CG2 4.09Å; W363-I471 PolarHBondContact NE1-O 3.37Å; R366-I471 HydrophobicContact CB-CD1 3.75Å; R366-I471 HydrophobicContact CB-CG1 3.97Å; R366-I471 WeakPolarHBondContact O-CD1 3.41Å; V367-I471 HydrophobicContact CG2-CG2 3.56Å; L370-I471 HydrophobicContact CD1-CD1 3.49Å; L370-I471 VanDerWaalsContact CD1-CD1 3.49Å; L370-I471 HydrophobicContact CG-CD1 3.78Å; F388-I471 HydrophobicContact CD1-CB 4.23Å; F388-I471 HydrophobicContact CD1-CG2 3.57Å; F388-I471 HydrophobicContact CE1-CB 3.63Å; F388-I471 HydrophobicContact CE1-CG2 3.45Å; F388-I471 VanDerWaalsContact CE1-CG2 3.45Å; F388-I471 HydrophobicContact CG-CG2 4.38Å; F388-I471 HydrophobicContact CZ-CB 4.28Å; F388-I471 HydrophobicContact CZ-CG2 4.16Å; E467-I471 WeakPolarHBondContact O-CG1 3.4Å; E467-I471 PolarHBondContact O-N 3.11Å; T468-I471 PolarHBondContact O-N 3.43Å; V469-I471 VanDerWaalsContact C-N 3.33Å; V469-I471 PolarHBondContact O-N 3.44Å; I471-G473 PolarHBondContact O-N 2.74Å
472L94.9Very high95.1Very high16 Ų1638.2 Ų38.28%0.08421%0.206CC..Hα-helixtrans-61.9-35.6170.7-77.2168.2000111.4F388 V456 T468 V469 K476F388-L472 HydrophobicContact CD1-CD2 3.96Å; F388-L472 HydrophobicContact CD1-CG 3.98Å; F388-L472 HydrophobicContact CE1-CD2 4.49Å; F388-L472 HydrophobicContact CE1-CG 4.02Å; V456-L472 HydrophobicContact CG1-CD1 3.46Å; V456-L472 VanDerWaalsContact CG1-CD1 3.46Å; V456-L472 WeakPolarHBondContact O-CD1 3.31Å; T468-L472 HydrophobicContact CG2-CD1 4.03Å; T468-L472 WeakPolarHBondContact O-CB 3.32Å; T468-L472 WeakPolarHBondContact O-CG 3.35Å; T468-L472 PolarHBondContact O-N 2.72Å; V469-L472 PolarHBondContact O-N 3.34Å; L472-K476 HydrophobicContact CD2-CD 3.78Å; L472-K476 HydrophobicContact CD2-CG 4.17Å; L472-K476 WeakPolarHBondContact O-CB 3.43Å
473G94.4Very high95.3Very high23 Ų2340.3 Ų40.324%0.23721%0.206CC..  trans79166.2-175.500000112.7V469 I471 E475 A477V469-G473 PolarHBondContact O-N 2.88Å; I471-G473 PolarHBondContact O-N 2.74Å; G473-E475 PolarHBondContact O-N 3.36Å; G473-A477 VanDerWaalsContact O-CB 3.29Å; G473-A477 WeakPolarHBondContact O-CB 3.36Å; G473-A477 PolarHBondContact O-N 3.25Å; G473-A477 VanDerWaalsContact O-N 3.08Å
474K95.1Very high95.3Very high67 Ų6741.4 Ų41.429%0.29121%0.213SC..Hα-helixtrans-58.6-51.7-172.5-168171175.5169.30113.2L419 E420 L422 V425 K476 A477 L478L419-K474 WeakPolarHBondContact O-CE 3.06Å; L419-K474 PolarHBondContact O-NZ 3.42Å; E420-K474 WeakPolarHBondContact O-CE 3.42Å; E420-K474 PolarHBondContact O-NZ 3.2Å; L422-K474 PolarHBondContact O-NZ 2.94Å; V425-K474 HydrophobicContact CG2-CB 3.69Å; V425-K474 HydrophobicContact CG2-CD 4.11Å; V425-K474 HydrophobicContact CG2-CG 4.06Å; K474-K476 PolarHBondContact O-N 3.43Å; K474-A477 PolarHBondContact O-N 2.95Å; K474-L478 HydrophobicContact CG-CD1 3.82Å; K474-L478 HydrophobicContact CG-CG 4.43Å; K474-L478 WeakPolarHBondContact O-CB 3.35Å; K474-L478 VanDerWaalsContact O-CG 3.31Å; K474-L478 WeakPolarHBondContact O-CG 3.41Å; K474-L478 PolarHBondContact O-N 2.96Å
475E94.2Very high95.2Very high173 Ų17341 Ų4181%0.80821%0.212SC*.Hα-helixtrans-61.8-47.8-173.3-68.5-176.5166.200111.5G473 L478 A479G473-E475 PolarHBondContact O-N 3.36Å; E475-L478 PolarHBondContact O-N 3Å; E475-A479 WeakPolarHBondContact O-CB 3.24Å; E475-A479 PolarHBondContact O-N 3.27Å
476K94Very high95.2Very high48 Ų4843 Ų4321%0.20922%0.222CC..Hα-helixtrans-67.6-42.9-179.5-167.3164.8-179.6166.10111.8F388 Q390 L472 K474 L478 A479 H480F388-K476 PolarHBondContact O-NZ 3.02Å; Q390-K476 WeakPolarHBondContact O-CE 3.22Å; Q390-K476 PolarHBondContact O-NZ 3.44Å; L472-K476 HydrophobicContact CD2-CD 3.78Å; L472-K476 HydrophobicContact CD2-CG 4.17Å; L472-K476 WeakPolarHBondContact O-CB 3.43Å; K474-K476 PolarHBondContact O-N 3.43Å; K476-L478 PolarHBondContact O-N 2.92Å; K476-A479 PolarHBondContact O-N 3.48Å; K476-H480 WeakPolarHBondContact O-CB 3.36Å; K476-H480 PolarHBondContact O-CD2 2.56Å; K476-H480 VanDerWaalsContact O-CG 3.22Å; K476-H480 PolarHBondContact O-N 3.32Å
477A95.5Very high95.1Very high0 Ų044.8 Ų44.80%023%0.231CC..Hα-helixtrans-62.6-40.4176.900000112.5L419 V456 V469 G473 K474 H480 L481L419-A477 HydrophobicContact CD2-CB 3.79Å; V456-A477 HydrophobicContact CG1-CB 3.97Å; V469-A477 HydrophobicContact CG1-CB 4.26Å; G473-A477 VanDerWaalsContact O-CB 3.29Å; G473-A477 WeakPolarHBondContact O-CB 3.36Å; G473-A477 PolarHBondContact O-N 3.25Å; G473-A477 VanDerWaalsContact O-N 3.08Å; K474-A477 PolarHBondContact O-N 2.95Å; A477-H480 PolarHBondContact O-N 2.92Å; A477-L481 WeakPolarHBondContact O-CG 3.38Å; A477-L481 PolarHBondContact O-N 2.9Å
478L96.2Very high95Very high27 Ų2743.4 Ų43.414%0.14123%0.226CC..Hα-helixtrans-67.4-42.8174.2-71.4173000112K416 L419 E420 K474 E475 K476 H480 L481 D482K416-L478 HydrophobicContact CG-CD2 3.87Å; L419-L478 HydrophobicContact CB-CD2 4.2Å; L419-L478 HydrophobicContact CD2-CD2 3.89Å; L419-L478 HydrophobicContact CD2-CG 4.05Å; L419-L478 HydrophobicContact CG-CD2 4.08Å; L419-L478 HydrophobicContact CG-CG 4.3Å; E420-L478 HydrophobicContact CG-CD1 4Å; E420-L478 HydrophobicContact CG-CD2 3.72Å; K474-L478 HydrophobicContact CG-CD1 3.82Å; K474-L478 HydrophobicContact CG-CG 4.43Å; K474-L478 WeakPolarHBondContact O-CB 3.35Å; K474-L478 VanDerWaalsContact O-CG 3.31Å; K474-L478 WeakPolarHBondContact O-CG 3.41Å; K474-L478 PolarHBondContact O-N 2.96Å; E475-L478 PolarHBondContact O-N 3Å; K476-L478 PolarHBondContact O-N 2.92Å; L478-H480 VanDerWaalsContact C-N 3.28Å; L478-H480 PolarHBondContact O-N 3.37Å; L478-L481 HydrophobicContact CD2-CD1 4.29Å; L478-L481 WeakPolarHBondContact O-CB 3.24Å; L478-L481 PolarHBondContact O-N 3.36Å; L478-D482 PolarHBondContact O-N 2.92Å
479A95.4Very high95Very high44 Ų4446 Ų4636%0.36424%0.239SC..Hα-helixtrans-61.1-38.1176.200000112.2E475 K476 D482 Q483E475-A479 WeakPolarHBondContact O-CB 3.24Å; E475-A479 PolarHBondContact O-N 3.27Å; K476-A479 PolarHBondContact O-N 3.48Å; A479-D482 PolarHBondContact O-N 3.03Å; A479-Q483 WeakPolarHBondContact O-CG 3.45Å; A479-Q483 PolarHBondContact O-N 3.47Å
480H95.7Very high94.9Very high3 Ų348.9 Ų48.91%0.01425%0.254CS..Hα-helixtrans-67.1-43.5174.7-73-175.3000112L393 A455 V456 K476 A477 L478 D482 Q483L393-H480 HydrophobicContact CD1-CB 3.98Å; L393-H480 HydrophobicContact CD2-CB 4.17Å; L393-H480 WeakPolarHBondContact CD2-ND1 3.42Å; L393-H480 HydrophobicContact CG-CB 4.13Å; A455-H480 CarbonylContact O-C 3.53Å; A455-H480 VanDerWaalsContact O-C 3.3Å; A455-H480 WeakPolarHBondContact O-CB 3.45Å; V456-H480 PolarHBondContact O-ND1 3.26Å; K476-H480 WeakPolarHBondContact O-CB 3.36Å; K476-H480 PolarHBondContact O-CD2 2.56Å; K476-H480 VanDerWaalsContact O-CG 3.22Å; K476-H480 PolarHBondContact O-N 3.32Å; A477-H480 PolarHBondContact O-N 2.92Å; L478-H480 VanDerWaalsContact C-N 3.28Å; L478-H480 PolarHBondContact O-N 3.37Å; H480-D482 VanDerWaalsContact C-N 3.28Å; H480-D482 PolarHBondContact O-N 3.23Å; H480-Q483 WeakPolarHBondContact O-CB 2.87Å; H480-Q483 PolarHBondContact O-N 2.76Å; H480-Q483 VanDerWaalsContact O-N 3.12Å
481L96Very high94.7Very high0 Ų048.7 Ų48.70%026%0.255CS..Hα-helixtrans-57.2-43.5173.1-76161000111.3L412 F415 K416 L419 A455 V456 A477 L478 Q483 V484 M485L412-L481 HydrophobicContact CD2-CD2 4.05Å; F415-L481 HydrophobicContact CD1-CD1 3.97Å; F415-L481 HydrophobicContact CD1-CD2 4.24Å; F415-L481 HydrophobicContact CE1-CD1 4.18Å; K416-L481 HydrophobicContact CB-CD1 4.25Å; L419-L481 HydrophobicContact CD2-CD1 4Å; A455-L481 HydrophobicContact CB-CD2 3.77Å; V456-L481 HydrophobicContact CG2-CD1 4.49Å; V456-L481 HydrophobicContact CG2-CD2 4.4Å; V456-L481 HydrophobicContact CG2-CG 4.24Å; A477-L481 WeakPolarHBondContact O-CG 3.38Å; A477-L481 PolarHBondContact O-N 2.9Å; L478-L481 HydrophobicContact CD2-CD1 4.29Å; L478-L481 WeakPolarHBondContact O-CB 3.24Å; L478-L481 PolarHBondContact O-N 3.36Å; L481-Q483 PolarHBondContact O-N 3.04Å; L481-V484 WeakPolarHBondContact O-CG2 3.35Å; L481-V484 PolarHBondContact O-N 3.41Å; L481-M485 HydrophobicContact CB-SD 4.36Å; L481-M485 WeakPolarHBondContact O-CB 3.4Å; L481-M485 VanDerWaalsContact O-CG 3.28Å; L481-M485 WeakPolarHBondContact O-CG 3.47Å; L481-M485 PolarHBondContact O-N 2.87Å
482D95.2Very high94.7Very high83 Ų8351.6 Ų51.644%0.44427%0.271SS..Hα-helixtrans-66.1-22.9178.5-73-17.1000114.1K416 L478 A479 H480 V484K416-D482 VanDerWaalsContact CE-OD1 3.28Å; K416-D482 WeakPolarHBondContact CE-OD1 3.48Å; K416-D482 IonicContact NZ-OD1 3.94Å; K416-D482 PolarHBondContact NZ-OD1 3Å; K416-D482 IonicContact NZ-OD2 2.6Å; L478-D482 PolarHBondContact O-N 2.92Å; A479-D482 PolarHBondContact O-N 3.03Å; H480-D482 VanDerWaalsContact C-N 3.28Å; H480-D482 PolarHBondContact O-N 3.23Å; D482-V484 VanDerWaalsContact C-N 3.33Å
483Q93.3Very high94.6Very high81 Ų8154.4 Ų54.438%0.37929%0.285SS..Hα-helixtrans-75.2-23.3176.5-73.8171.82900112.8D391 L393 A479 H480 L481D391-Q483 PolarHBondContact O-NE2 2.96Å; L393-Q483 VanDerWaalsContact N-OE1 3.07Å; A479-Q483 WeakPolarHBondContact O-CG 3.45Å; A479-Q483 PolarHBondContact O-N 3.47Å; H480-Q483 WeakPolarHBondContact O-CB 2.87Å; H480-Q483 PolarHBondContact O-N 2.76Å; H480-Q483 VanDerWaalsContact O-N 3.12Å; L481-Q483 PolarHBondContact O-N 3.04Å
484V93Very high94.7Very high37 Ų3757 Ų5722%0.22429%0.289CS..Hα-helixtrans-117.6-12.9-171.5-59.60000114.7L393 L395 L403 L412 A455 L481 D482L393-V484 HydrophobicContact CD1-CG1 3.67Å; L395-V484 HydrophobicContact CD1-CG1 3.97Å; L403-V484 HydrophobicContact CD1-CB 4.02Å; L403-V484 HydrophobicContact CD1-CG1 4Å; L403-V484 HydrophobicContact CD2-CG2 4.47Å; L412-V484 HydrophobicContact CD1-CG2 4.21Å; A455-V484 HydrophobicContact CB-CG2 3.56Å; L481-V484 WeakPolarHBondContact O-CG2 3.35Å; L481-V484 PolarHBondContact O-N 3.41Å; D482-V484 VanDerWaalsContact C-N 3.33Å
485M92.2Very high94.6Very high121 Ų12156.1 Ų56.160%0.59629%0.289SS*.  trans-860170.9-70.9-179.662.900110.7L412 A413 K416 L481L412-M485 HydrophobicContact CB-CE 4.46Å; L412-M485 HydrophobicContact CB-CG 3.84Å; L412-M485 HydrophobicContact CB-SD 3.84Å; L412-M485 HydrophobicContact CD1-CG 4.03Å; A413-M485 HydrophobicContact CB-CE 3.91Å; K416-M485 HydrophobicContact CB-SD 4.23Å; K416-M485 HydrophobicContact CD-CE 4.32Å; K416-M485 HydrophobicContact CD-SD 3.96Å; L481-M485 HydrophobicContact CB-SD 4.36Å; L481-M485 WeakPolarHBondContact O-CB 3.4Å; L481-M485 VanDerWaalsContact O-CG 3.28Å; L481-M485 WeakPolarHBondContact O-CG 3.47Å; L481-M485 PolarHBondContact O-N 2.87Å

Retrieved 485 of 485 residues in 257.6 ms (Link to these results)

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