A0A3Q0KNP4_SCHMA Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 383 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
1M55.9Low68Low96 Ų9685.4 Ų85.447%0.47343%0.429SS..  0125.90-160.9167.1-16700108.3N5 E9 L73 I80M1-N5 HydrophobicContact CE-CB 4.33Å; M1-N5 HydrophobicContact CG-CB 4.15Å; M1-E9 HydrophobicContact CE-CB 4.24Å; M1-E9 WeakPolarHBondContact CE-OE2 3.32Å; M1-L73 HydrophobicContact CE-CD1 3.48Å; M1-L73 VanDerWaalsContact CE-CD1 3.48Å; M1-L73 HydrophobicContact SD-CD1 3.42Å; M1-L73 WeakPolarHBondContact SD-CD1 3.45Å; M1-I80 HydrophobicContact CB-CD1 3.94Å
2T59.7Low69Low83 Ų8391.1 Ų91.151%0.50944%0.444SS..  trans-78.6157.3175.655.50000109.9S4 N5 Y6T2-S4 PolarHBondContact O-N 3.24Å; T2-N5 PolarHBondContact O-N 2.88Å; T2-N5 PolarHBondContact OG1-N 2.95Å; T2-N5 PolarHBondContact OG1-OD1 2.68Å; T2-N5 VanDerWaalsContact OG1-OD1 3.07Å; T2-Y6 PolarHBondContact O-N 2.87Å
3R57.3Low69.2Low169 Ų16984.9 Ų84.964%0.63841%0.414SS*.Hα-helixtrans-56.1-37.5175.6-80.9-174.9177.5169.41.5112.1Y6 Y7 F77R3-Y6 PolarHBondContact O-N 3.36Å; R3-Y7 WeakPolarHBondContact O-CD2 3.44Å; R3-Y7 PolarHBondContact O-N 2.82Å; R3-F77 HydrophobicContact CG-CE2 4.08Å; R3-F77 HydrophobicContact CG-CZ 4.41Å
4S60.1Low69.8Low71 Ų7181.5 Ų81.550%0.49740%0.398SS..Hα-helixtrans-60.6-52.8177.2-161.80000111.3T2 Y6 Y7 D8T2-S4 PolarHBondContact O-N 3.24Å; S4-Y6 PolarHBondContact O-N 3.34Å; S4-Y6 VanDerWaalsContact O-N 3.13Å; S4-Y7 PolarHBondContact O-N 2.74Å; S4-D8 VanDerWaalsContact O-CG 3.31Å; S4-D8 PolarHBondContact O-N 2.76Å; S4-D8 PolarHBondContact OG-OD2 3.24Å
5N72.3Confident70.6Confident89 Ų8981.1 Ų81.148%0.47640%0.402SS..Hα-helixtrans-58.1-33.8-179-68.415.3000112.4M1 T2 E9M1-N5 HydrophobicContact CE-CB 4.33Å; M1-N5 HydrophobicContact CG-CB 4.15Å; T2-N5 PolarHBondContact O-N 2.88Å; T2-N5 PolarHBondContact OG1-N 2.95Å; T2-N5 PolarHBondContact OG1-OD1 2.68Å; T2-N5 VanDerWaalsContact OG1-OD1 3.07Å; N5-E9 VanDerWaalsContact O-CB 3.27Å; N5-E9 WeakPolarHBondContact O-CB 3.4Å; N5-E9 PolarHBondContact O-N 3.1Å
6Y68.6Low71.2Confident22 Ų2283.6 Ų83.69%0.08641%0.405CS..Hα-helixtrans-65.4-47.3176.3174.8-99000112.6T2 R3 S4 D8 E9 I10 L73 F77T2-Y6 PolarHBondContact O-N 2.87Å; R3-Y6 PolarHBondContact O-N 3.36Å; S4-Y6 PolarHBondContact O-N 3.34Å; S4-Y6 VanDerWaalsContact O-N 3.13Å; Y6-D8 VanDerWaalsContact C-N 3.34Å; Y6-E9 PolarHBondContact O-N 3.4Å; Y6-I10 HydrophobicContact CD1-CD1 4.14Å; Y6-I10 HydrophobicContact CD2-CD1 4.25Å; Y6-I10 HydrophobicContact CD2-CG1 4.43Å; Y6-I10 HydrophobicContact CE1-CD1 3.41Å; Y6-I10 VanDerWaalsContact CE1-CD1 3.41Å; Y6-I10 HydrophobicContact CE1-CG1 4.31Å; Y6-I10 HydrophobicContact CE2-CD1 3.53Å; Y6-I10 HydrophobicContact CE2-CG1 4.09Å; Y6-I10 WeakPolarHBondContact O-CB 3.45Å; Y6-I10 WeakPolarHBondContact O-CG1 3.12Å; Y6-I10 PolarHBondContact O-N 3.13Å; Y6-I10 WeakPolarHBondContact OH-CD1 3.4Å; Y6-L73 HydrophobicContact CD2-CD1 3.77Å; Y6-L73 HydrophobicContact CD2-CD2 4.25Å; Y6-L73 HydrophobicContact CD2-CG 3.75Å; Y6-L73 HydrophobicContact CE2-CD1 4.18Å; Y6-L73 HydrophobicContact CE2-CD2 4.4Å; Y6-L73 HydrophobicContact CE2-CG 3.73Å; Y6-F77 HydrophobicContact CD1-CD1 4.43Å; Y6-F77 AromaticContact CD1-CD2 3.44Å; Y6-F77 HydrophobicContact CD1-CD2 3.44Å; Y6-F77 VanDerWaalsContact CD1-CD2 3.44Å; Y6-F77 HydrophobicContact CD1-CE1 4.49Å; Y6-F77 AromaticContact CD1-CE2 3.5Å; Y6-F77 HydrophobicContact CD1-CE2 3.5Å; Y6-F77 AromaticContact CD1-CG 3.92Å; Y6-F77 HydrophobicContact CD1-CG 3.92Å; Y6-F77 HydrophobicContact CD1-CZ 4.05Å; Y6-F77 HydrophobicContact CD2-CB 3.63Å; Y6-F77 AromaticContact CD2-CD2 3.56Å; Y6-F77 HydrophobicContact CD2-CD2 3.56Å; Y6-F77 HydrophobicContact CD2-CE2 4.43Å; Y6-F77 AromaticContact CD2-CG 3.81Å; Y6-F77 HydrophobicContact CD2-CG 3.81Å; Y6-F77 HydrophobicContact CE1-CB 4.26Å; Y6-F77 AromaticContact CE1-CD1 3.91Å; Y6-F77 HydrophobicContact CE1-CD1 3.91Å; Y6-F77 AromaticContact CE1-CD2 3.74Å; Y6-F77 HydrophobicContact CE1-CD2 3.74Å; Y6-F77 HydrophobicContact CE1-CE1 4.12Å; Y6-F77 AromaticContact CE1-CE2 3.94Å; Y6-F77 HydrophobicContact CE1-CE2 3.94Å; Y6-F77 AromaticContact CE1-CG 3.7Å; Y6-F77 HydrophobicContact CE1-CG 3.7Å; Y6-F77 HydrophobicContact CE1-CZ 4.12Å; Y6-F77 HydrophobicContact CE2-CB 3.24Å; Y6-F77 HydrophobicContact CE2-CD1 4.4Å; Y6-F77 AromaticContact CE2-CD2 3.87Å; Y6-F77 HydrophobicContact CE2-CD2 3.87Å; Y6-F77 AromaticContact CE2-CG 3.61Å; Y6-F77 HydrophobicContact CE2-CG 3.61Å; Y6-F77 HydrophobicContact CG-CB 4.28Å; Y6-F77 AromaticContact CG-CD2 3.31Å; Y6-F77 HydrophobicContact CG-CD2 3.31Å; Y6-F77 AromaticContact CG-CE2 3.75Å; Y6-F77 HydrophobicContact CG-CE2 3.75Å; Y6-F77 AromaticContact CG-CG 3.94Å; Y6-F77 HydrophobicContact CG-CG 3.94Å; Y6-F77 AromaticContact CZ-CD1 3.88Å; Y6-F77 AromaticContact CZ-CD2 3.93Å; Y6-F77 AromaticContact CZ-CG 3.52Å
7Y73.2Confident71.4Confident132 Ų13279.9 Ų79.952%0.51839%0.388SS..Hα-helixtrans-68-35.8179.3-70.9-64.3000112.2R3 S4 S11R3-Y7 WeakPolarHBondContact O-CD2 3.44Å; R3-Y7 PolarHBondContact O-N 2.82Å; S4-Y7 PolarHBondContact O-N 2.74Å; Y7-S11 VanDerWaalsContact O-CB 3.28Å; Y7-S11 WeakPolarHBondContact O-CB 3.39Å; Y7-S11 PolarHBondContact O-N 2.96Å; Y7-S11 PolarHBondContact O-OG 2.98Å
8D76.2Confident71.8Confident95 Ų9579.7 Ų79.751%0.50839%0.386SS..Hα-helixtrans-65-46.5175.1-62.5-31.8000110.7S4 Y6 S11 Y12S4-D8 VanDerWaalsContact O-CG 3.31Å; S4-D8 PolarHBondContact O-N 2.76Å; S4-D8 PolarHBondContact OG-OD2 3.24Å; Y6-D8 VanDerWaalsContact C-N 3.34Å; D8-S11 PolarHBondContact O-N 2.62Å; D8-Y12 WeakPolarHBondContact O-CB 3.36Å; D8-Y12 PolarHBondContact O-N 3.44Å
9E73.7Confident72.2Confident94 Ų9479.9 Ų79.944%0.43939%0.387SS..Hα-helixtrans-69.9-37.3-179.8-167.7167.2-175.400112.3M1 N5 Y6 Y12 L13 L73M1-E9 HydrophobicContact CE-CB 4.24Å; M1-E9 WeakPolarHBondContact CE-OE2 3.32Å; N5-E9 VanDerWaalsContact O-CB 3.27Å; N5-E9 WeakPolarHBondContact O-CB 3.4Å; N5-E9 PolarHBondContact O-N 3.1Å; Y6-E9 PolarHBondContact O-N 3.4Å; E9-Y12 PolarHBondContact O-N 2.67Å; E9-L13 HydrophobicContact CG-CD1 4.41Å; E9-L13 WeakPolarHBondContact O-CB 3.44Å; E9-L13 VanDerWaalsContact O-CG 3.22Å; E9-L13 WeakPolarHBondContact O-CG 3.38Å; E9-L13 PolarHBondContact O-N 2.78Å; E9-L73 HydrophobicContact CB-CD2 4.01Å; E9-L73 HydrophobicContact CG-CD2 3.82Å
10I74.7Confident72Confident21 Ų2176.7 Ų76.711%0.10837%0.372CS..Hα-helixtrans-64.2-45.4171.6-77.7-164.4000111.6Y6 Y12 L13 I14 L73Y6-I10 HydrophobicContact CD1-CD1 4.14Å; Y6-I10 HydrophobicContact CD2-CD1 4.25Å; Y6-I10 HydrophobicContact CD2-CG1 4.43Å; Y6-I10 HydrophobicContact CE1-CD1 3.41Å; Y6-I10 VanDerWaalsContact CE1-CD1 3.41Å; Y6-I10 HydrophobicContact CE1-CG1 4.31Å; Y6-I10 HydrophobicContact CE2-CD1 3.53Å; Y6-I10 HydrophobicContact CE2-CG1 4.09Å; Y6-I10 WeakPolarHBondContact O-CB 3.45Å; Y6-I10 WeakPolarHBondContact O-CG1 3.12Å; Y6-I10 PolarHBondContact O-N 3.13Å; Y6-I10 WeakPolarHBondContact OH-CD1 3.4Å; I10-Y12 VanDerWaalsContact C-N 3.27Å; I10-Y12 PolarHBondContact O-N 3.18Å; I10-L13 PolarHBondContact O-N 2.81Å; I10-L13 VanDerWaalsContact O-N 3.17Å; I10-I14 HydrophobicContact CG2-CD1 3.51Å; I10-I14 HydrophobicContact CG2-CG1 4.17Å; I10-I14 WeakPolarHBondContact O-CB 3.5Å; I10-I14 WeakPolarHBondContact O-CG1 3.48Å; I10-I14 PolarHBondContact O-N 2.98Å; I10-L73 HydrophobicContact CG1-CD2 3.86Å
11S75.9Confident72.3Confident67 Ų6778.8 Ų78.847%0.46938%0.376SS..Hα-helixtrans-59.7-43.9178.9-60.50000110.3Y7 D8 L13 I14 T15Y7-S11 VanDerWaalsContact O-CB 3.28Å; Y7-S11 WeakPolarHBondContact O-CB 3.39Å; Y7-S11 PolarHBondContact O-N 2.96Å; Y7-S11 PolarHBondContact O-OG 2.98Å; D8-S11 PolarHBondContact O-N 2.62Å; S11-L13 PolarHBondContact O-N 2.87Å; S11-I14 PolarHBondContact O-N 3.18Å; S11-T15 PolarHBondContact O-N 2.76Å; S11-T15 PolarHBondContact O-OG1 3.5Å
12Y79.9Confident73.4Confident154 Ų15480.3 Ų80.360%0.60438%0.382SS*.Hα-helixtrans-58-47.7173.2174.3-101.9000112.7D8 E9 I10 I14 T15 R16D8-Y12 WeakPolarHBondContact O-CB 3.36Å; D8-Y12 PolarHBondContact O-N 3.44Å; E9-Y12 PolarHBondContact O-N 2.67Å; I10-Y12 VanDerWaalsContact C-N 3.27Å; I10-Y12 PolarHBondContact O-N 3.18Å; Y12-I14 PolarHBondContact O-N 2.9Å; Y12-T15 PolarHBondContact O-N 3.29Å; Y12-R16 WeakPolarHBondContact O-CB 3.45Å; Y12-R16 PolarHBondContact O-N 2.87Å
13L72Confident74.3Confident11 Ų1183.4 Ų83.46%0.05838%0.384CS..Hα-helixtrans-63.8-41.4179.4-70.5168.5000112E9 I10 S11 R16 I17 V66 K69 H70 L73E9-L13 HydrophobicContact CG-CD1 4.41Å; E9-L13 WeakPolarHBondContact O-CB 3.44Å; E9-L13 VanDerWaalsContact O-CG 3.22Å; E9-L13 WeakPolarHBondContact O-CG 3.38Å; E9-L13 PolarHBondContact O-N 2.78Å; I10-L13 PolarHBondContact O-N 2.81Å; I10-L13 VanDerWaalsContact O-N 3.17Å; S11-L13 PolarHBondContact O-N 2.87Å; L13-R16 PolarHBondContact O-N 3.35Å; L13-I17 VanDerWaalsContact O-CG1 3.3Å; L13-I17 WeakPolarHBondContact O-CG1 3.34Å; L13-I17 PolarHBondContact O-N 3.4Å; L13-V66 HydrophobicContact CB-CG1 4.38Å; L13-V66 HydrophobicContact CD2-CG1 3.8Å; L13-K69 HydrophobicContact CD2-CB 4.49Å; L13-H70 HydrophobicContact CD1-CB 4.33Å; L13-L73 HydrophobicContact CD1-CD2 3.94Å
14I77.3Confident75.1Confident37 Ų3780.2 Ų80.219%0.1937%0.372CS..Hα-helixtrans-62.9-48.3177-72.1170.1000110.2I10 S11 Y12 R16 I17 H18 Y306I10-I14 HydrophobicContact CG2-CD1 3.51Å; I10-I14 HydrophobicContact CG2-CG1 4.17Å; I10-I14 WeakPolarHBondContact O-CB 3.5Å; I10-I14 WeakPolarHBondContact O-CG1 3.48Å; I10-I14 PolarHBondContact O-N 2.98Å; S11-I14 PolarHBondContact O-N 3.18Å; Y12-I14 PolarHBondContact O-N 2.9Å; I14-R16 VanDerWaalsContact C-N 3.27Å; I14-R16 PolarHBondContact O-N 3.13Å; I14-I17 WeakPolarHBondContact O-CB 3.39Å; I14-I17 PolarHBondContact O-N 2.96Å; I14-I17 VanDerWaalsContact O-N 3.13Å; I14-H18 PolarHBondContact O-CD2 3.42Å; I14-H18 PolarHBondContact O-N 2.96Å; I14-Y306 HydrophobicContact CD1-CE2 3.99Å
15T82.5Confident75.7Confident75 Ų7581.9 Ų81.946%0.4637%0.374SS..Hα-helixtrans-56-44.9175.3-59.80000110.9S11 Y12 I17 H18 E19S11-T15 PolarHBondContact O-N 2.76Å; S11-T15 PolarHBondContact O-OG1 3.5Å; Y12-T15 PolarHBondContact O-N 3.29Å; T15-I17 VanDerWaalsContact C-N 3.33Å; T15-I17 PolarHBondContact O-N 3.39Å; T15-H18 WeakPolarHBondContact O-CB 3.35Å; T15-H18 PolarHBondContact O-N 3.09Å; T15-H18 VanDerWaalsContact O-N 3.11Å; T15-E19 WeakPolarHBondContact O-CG 3.5Å; T15-E19 PolarHBondContact O-N 3.42Å
16R80.2Confident75.9Confident121 Ų12182 Ų8246%0.45737%0.372SS..Hα-helixtrans-65.8-34.6178.9-161.259.4170.5168.6-0.1113.1Y12 L13 I14 E19 C20Y12-R16 WeakPolarHBondContact O-CB 3.45Å; Y12-R16 PolarHBondContact O-N 2.87Å; L13-R16 PolarHBondContact O-N 3.35Å; I14-R16 VanDerWaalsContact C-N 3.27Å; I14-R16 PolarHBondContact O-N 3.13Å; R16-E19 WeakPolarHBondContact CD-OE2 3.22Å; R16-E19 IonicContact CZ-OE2 3.86Å; R16-E19 IonicContact NE-OE2 2.93Å; R16-E19 IonicContact NH1-OE2 3.64Å; R16-E19 PolarHBondContact NH1-OE2 3.36Å; R16-C20 WeakPolarHBondContact O-CB 3.14Å; R16-C20 PolarHBondContact O-N 2.84Å; R16-C20 PolarHBondContact O-SG 3.47Å
17I74.6Confident75.8Confident21 Ų2181.9 Ų81.911%0.10837%0.372CS..Hα-helixtrans-64.6-42.9172.2-70.3167000110.4L13 I14 T15 C20 R21 V66 E67L13-I17 VanDerWaalsContact O-CG1 3.3Å; L13-I17 WeakPolarHBondContact O-CG1 3.34Å; L13-I17 PolarHBondContact O-N 3.4Å; I14-I17 WeakPolarHBondContact O-CB 3.39Å; I14-I17 PolarHBondContact O-N 2.96Å; I14-I17 VanDerWaalsContact O-N 3.13Å; T15-I17 VanDerWaalsContact C-N 3.33Å; T15-I17 PolarHBondContact O-N 3.39Å; I17-C20 PolarHBondContact O-N 3.19Å; I17-R21 HydrophobicContact CG2-CG 4.46Å; I17-R21 VanDerWaalsContact O-CG 3.31Å; I17-R21 WeakPolarHBondContact O-CG 3.29Å; I17-R21 PolarHBondContact O-N 3.11Å; I17-V66 HydrophobicContact CD1-CG1 3.97Å; I17-V66 HydrophobicContact CG1-CB 4.37Å; I17-V66 HydrophobicContact CG1-CG1 3.55Å; I17-E67 HydrophobicContact CD1-CG 4.47Å
18H77.6Confident75.5Confident76 Ų7680.8 Ų80.835%0.35237%0.373SS..Hα-helixtrans-62.9-49177.4-80.5-71.9000112I14 T15 C20 R21 E22I14-H18 PolarHBondContact O-CD2 3.42Å; I14-H18 PolarHBondContact O-N 2.96Å; T15-H18 WeakPolarHBondContact O-CB 3.35Å; T15-H18 PolarHBondContact O-N 3.09Å; T15-H18 VanDerWaalsContact O-N 3.11Å; H18-C20 VanDerWaalsContact C-N 3.29Å; H18-C20 PolarHBondContact O-N 3.33Å; H18-R21 WeakPolarHBondContact O-CA 3.3Å; H18-R21 WeakPolarHBondContact O-CB 3.36Å; H18-R21 PolarHBondContact O-N 3.42Å; H18-E22 PolarHBondContact O-N 3.34Å
19E80.8Confident75.4Confident85 Ų8582.8 Ų82.840%0.39738%0.377SS..Hα-helixtrans-55.5-44.1174.9-71.6173.3-179.600111.7T15 R16 R21 E22 R23T15-E19 WeakPolarHBondContact O-CG 3.5Å; T15-E19 PolarHBondContact O-N 3.42Å; R16-E19 WeakPolarHBondContact CD-OE2 3.22Å; R16-E19 IonicContact CZ-OE2 3.86Å; R16-E19 IonicContact NE-OE2 2.93Å; R16-E19 IonicContact NH1-OE2 3.64Å; R16-E19 PolarHBondContact NH1-OE2 3.36Å; E19-R21 VanDerWaalsContact C-N 3.33Å; E19-R21 PolarHBondContact O-N 3.1Å; E19-E22 PolarHBondContact O-N 3.4Å; E19-R23 WeakPolarHBondContact O-CB 3.42Å; E19-R23 PolarHBondContact O-N 3.2Å
20C67.7Low75.2Confident15 Ų1583.6 Ų83.610%0.10138%0.381CS..Hα-helixtrans-62.7-39.3175.8-75.10000112.3R16 I17 H18 R24 L59 V63R16-C20 WeakPolarHBondContact O-CB 3.14Å; R16-C20 PolarHBondContact O-N 2.84Å; R16-C20 PolarHBondContact O-SG 3.47Å; I17-C20 PolarHBondContact O-N 3.19Å; H18-C20 VanDerWaalsContact C-N 3.29Å; H18-C20 PolarHBondContact O-N 3.33Å; C20-R24 WeakPolarHBondContact O-CB 3.22Å; C20-R24 PolarHBondContact O-N 3.24Å; C20-L59 HydrophobicContact CB-CD1 3.82Å; C20-V63 HydrophobicContact CB-CG2 3.53Å
21R77.2Confident74.6Confident120 Ų12085.7 Ų85.745%0.45339%0.388SS..Hα-helixtrans-69.3-39.4178.5-74.9173.2178.3178.31.4112I17 H18 E19 R24 M25I17-R21 HydrophobicContact CG2-CG 4.46Å; I17-R21 VanDerWaalsContact O-CG 3.31Å; I17-R21 WeakPolarHBondContact O-CG 3.29Å; I17-R21 PolarHBondContact O-N 3.11Å; H18-R21 WeakPolarHBondContact O-CA 3.3Å; H18-R21 WeakPolarHBondContact O-CB 3.36Å; H18-R21 PolarHBondContact O-N 3.42Å; E19-R21 VanDerWaalsContact C-N 3.33Å; E19-R21 PolarHBondContact O-N 3.1Å; R21-R24 WeakPolarHBondContact O-CB 3.4Å; R21-R24 PolarHBondContact O-N 3.32Å; R21-M25 PolarHBondContact O-N 3.2Å; R21-M25 VanDerWaalsContact O-N 3.08Å
22E79.6Confident74Confident128 Ų12885 Ų8560%0.59839%0.386SS*.Hα-helixtrans-64.9-49174.5-73.5-171.3153.700110.9H18 E19 R24 M25 E26H18-E22 PolarHBondContact O-N 3.34Å; E19-E22 PolarHBondContact O-N 3.4Å; E22-R24 PolarHBondContact O-N 3.35Å; E22-M25 WeakPolarHBondContact O-CA 3.33Å; E22-M25 WeakPolarHBondContact O-CB 3.26Å; E22-M25 PolarHBondContact O-N 3.4Å; E22-E26 PolarHBondContact O-N 2.93Å
23R79.8Confident73.2Confident148 Ų14882.4 Ų82.456%0.55838%0.382SS*.Hα-helixtrans-56.7-38.2175.6-165.767.1172.7179.2-0.4112E19 M25 E26 L27 L59E19-R23 WeakPolarHBondContact O-CB 3.42Å; E19-R23 PolarHBondContact O-N 3.2Å; R23-M25 VanDerWaalsContact C-N 3.35Å; R23-E26 WeakPolarHBondContact CD-OE2 3.44Å; R23-E26 IonicContact NH1-OE2 3.26Å; R23-E26 PolarHBondContact NH1-OE2 3.46Å; R23-E26 PolarHBondContact O-N 2.98Å; R23-L27 HydrophobicContact CG-CD1 4.43Å; R23-L27 VanDerWaalsContact O-CB 3.26Å; R23-L27 WeakPolarHBondContact O-CB 3.38Å; R23-L27 VanDerWaalsContact O-CG 3.26Å; R23-L27 WeakPolarHBondContact O-CG 3.47Å; R23-L27 PolarHBondContact O-N 3.41Å; R23-L59 HydrophobicContact CB-CD2 4.24Å; R23-L59 HydrophobicContact CG-CD2 4.38Å
24R73.3Confident72.7Confident102 Ų10283 Ų8339%0.38539%0.385SS..Hα-helixtrans-63.3-41.3174.7-168.1177.167.41731.6111.6C20 R21 E22 M28 L56 L59 D60C20-R24 WeakPolarHBondContact O-CB 3.22Å; C20-R24 PolarHBondContact O-N 3.24Å; R21-R24 WeakPolarHBondContact O-CB 3.4Å; R21-R24 PolarHBondContact O-N 3.32Å; E22-R24 PolarHBondContact O-N 3.35Å; R24-M28 VanDerWaalsContact O-CG 3.27Å; R24-M28 WeakPolarHBondContact O-CG 3.39Å; R24-M28 PolarHBondContact O-N 3.33Å; R24-L56 HydrophobicContact CG-CD1 3.65Å; R24-L59 HydrophobicContact CB-CD2 3.64Å; R24-L59 HydrophobicContact CG-CD2 4.26Å; R24-D60 IonicContact NH1-OD1 3.99Å
25M72Confident71.8Confident106 Ų10685.8 Ų85.852%0.52240%0.397SS..Hα-helixtrans-68.7-41.9178.6-168.6-173.5-57.900112R21 E22 R23 M28 K29R21-M25 PolarHBondContact O-N 3.2Å; R21-M25 VanDerWaalsContact O-N 3.08Å; E22-M25 WeakPolarHBondContact O-CA 3.33Å; E22-M25 WeakPolarHBondContact O-CB 3.26Å; E22-M25 PolarHBondContact O-N 3.4Å; R23-M25 VanDerWaalsContact C-N 3.35Å; M25-M28 PolarHBondContact O-N 3.26Å; M25-K29 WeakPolarHBondContact O-CG 3.49Å; M25-K29 PolarHBondContact O-N 3.12Å
26E76Confident70.7Confident93 Ų9390.1 Ų90.144%0.43541%0.412SS..Hα-helixtrans-56.8-51.4173.1-71.9175.7172.500110.9E22 R23 M28 K29 E30E22-E26 PolarHBondContact O-N 2.93Å; R23-E26 WeakPolarHBondContact CD-OE2 3.44Å; R23-E26 IonicContact NH1-OE2 3.26Å; R23-E26 PolarHBondContact NH1-OE2 3.46Å; R23-E26 PolarHBondContact O-N 2.98Å; E26-M28 VanDerWaalsContact C-N 3.3Å; E26-M28 PolarHBondContact O-N 3.04Å; E26-K29 WeakPolarHBondContact O-CB 3.38Å; E26-K29 PolarHBondContact O-N 3.16Å; E26-E30 PolarHBondContact O-N 3.44Å
27L68.3Low69.7Low18 Ų1887.5 Ų87.59%0.09441%0.41CS..Hα-helixtrans-52.9-49.4174-81.7174.4000110.5R23 K29 E30 Y31 Y52 L59R23-L27 HydrophobicContact CG-CD1 4.43Å; R23-L27 VanDerWaalsContact O-CB 3.26Å; R23-L27 WeakPolarHBondContact O-CB 3.38Å; R23-L27 VanDerWaalsContact O-CG 3.26Å; R23-L27 WeakPolarHBondContact O-CG 3.47Å; R23-L27 PolarHBondContact O-N 3.41Å; L27-K29 PolarHBondContact O-N 3.27Å; L27-E30 PolarHBondContact O-N 3.12Å; L27-E30 VanDerWaalsContact O-N 3.1Å; L27-Y31 PolarHBondContact O-N 3.41Å; L27-Y52 VanDerWaalsContact C-CZ 3.46Å; L27-Y52 HydrophobicContact CB-CD2 4.45Å; L27-Y52 HydrophobicContact CB-CE2 3.38Å; L27-Y52 WeakPolarHBondContact CB-OH 3.16Å; L27-Y52 HydrophobicContact CD2-CD2 3.92Å; L27-Y52 HydrophobicContact CD2-CE2 3.64Å; L27-Y52 HydrophobicContact CG-CE2 4.06Å; L27-Y52 WeakPolarHBondContact O-CE2 3.36Å; L27-Y52 VanDerWaalsContact O-CZ 3.28Å; L27-Y52 PolarHBondContact O-OH 3.01Å; L27-L59 HydrophobicContact CD1-CD2 4Å
28M66.5Low68.5Low109 Ų10992.7 Ų92.754%0.53744%0.438SS..Hα-helixtrans-61.5-31.3-179.6-74178.27600113.1R24 M25 E26 A32 Y52R24-M28 VanDerWaalsContact O-CG 3.27Å; R24-M28 WeakPolarHBondContact O-CG 3.39Å; R24-M28 PolarHBondContact O-N 3.33Å; M25-M28 PolarHBondContact O-N 3.26Å; E26-M28 VanDerWaalsContact C-N 3.3Å; E26-M28 PolarHBondContact O-N 3.04Å; M28-A32 WeakPolarHBondContact O-CB 3.36Å; M28-A32 PolarHBondContact O-N 3.5Å; M28-A32 VanDerWaalsContact O-N 3.07Å; M28-Y52 WeakPolarHBondContact CA-OH 3.4Å; M28-Y52 PolarHBondContact N-OH 3.48Å
29K73.7Confident67.2Low138 Ų13894.7 Ų94.760%0.646%0.461SS*.Hα-helixtrans-70.4-44.2173.9-68.6173.1-178.5177.60111.6M25 E26 L27 Y31 A32 L33M25-K29 WeakPolarHBondContact O-CG 3.49Å; M25-K29 PolarHBondContact O-N 3.12Å; E26-K29 WeakPolarHBondContact O-CB 3.38Å; E26-K29 PolarHBondContact O-N 3.16Å; L27-K29 PolarHBondContact O-N 3.27Å; K29-Y31 VanDerWaalsContact C-N 3.31Å; K29-Y31 PolarHBondContact O-N 2.93Å; K29-A32 PolarHBondContact O-N 3.43Å; K29-L33 PolarHBondContact O-N 3.17Å
30E70Confident65.7Low111 Ų11196.1 Ų96.152%0.51948%0.48SS..Hα-helixtrans-59.2-44.3174.9-70.2-177.2170.500111.2E26 L27 A32 L33 I34E26-E30 PolarHBondContact O-N 3.44Å; L27-E30 PolarHBondContact O-N 3.12Å; L27-E30 VanDerWaalsContact O-N 3.1Å; E30-A32 VanDerWaalsContact C-N 3.35Å; E30-A32 PolarHBondContact O-N 3.24Å; E30-L33 WeakPolarHBondContact O-CB 3.29Å; E30-L33 PolarHBondContact O-N 2.86Å; E30-L33 VanDerWaalsContact O-N 3.16Å; E30-I34 VanDerWaalsContact O-CG1 3.25Å; E30-I34 WeakPolarHBondContact O-CG1 3.46Å; E30-I34 PolarHBondContact O-N 2.84Å
31Y62.6Low64.9Low65 Ų6597.1 Ų97.126%0.25549%0.492SS..Hα-helixtrans-60.9-43.1176.4-176-98.5000112.7L27 K29 L33 I34 Q35 L49 Y52L27-Y31 PolarHBondContact O-N 3.41Å; K29-Y31 VanDerWaalsContact C-N 3.31Å; K29-Y31 PolarHBondContact O-N 2.93Å; Y31-L33 VanDerWaalsContact C-N 3.31Å; Y31-L33 PolarHBondContact O-N 3.32Å; Y31-I34 PolarHBondContact O-N 2.93Å; Y31-Q35 HydrophobicContact CD1-CG 4.38Å; Y31-Q35 HydrophobicContact CE1-CG 4.05Å; Y31-Q35 WeakPolarHBondContact O-CG 3.43Å; Y31-Q35 PolarHBondContact O-N 3.48Å; Y31-Q35 PolarHBondContact OH-NE2 3.45Å; Y31-L49 HydrophobicContact CD2-CD2 3.56Å; Y31-L49 HydrophobicContact CE2-CD2 3.1Å; Y31-L49 HydrophobicContact CE2-CG 4.43Å; Y31-Y52 AromaticContact CD2-CD1 3.16Å; Y31-Y52 HydrophobicContact CD2-CD1 3.16Å; Y31-Y52 HydrophobicContact CD2-CD2 4.44Å; Y31-Y52 AromaticContact CD2-CE1 3.48Å; Y31-Y52 HydrophobicContact CD2-CE1 3.48Å; Y31-Y52 VanDerWaalsContact CD2-CE1 3.48Å; Y31-Y52 AromaticContact CD2-CG 3.72Å; Y31-Y52 HydrophobicContact CD2-CG 3.72Å; Y31-Y52 AromaticContact CE2-CD1 3.83Å; Y31-Y52 HydrophobicContact CE2-CD1 3.83Å; Y31-Y52 HydrophobicContact CE2-CE1 4.25Å; Y31-Y52 AromaticContact CG-CD1 3.83Å; Y31-Y52 HydrophobicContact CG-CD1 3.83Å; Y31-Y52 AromaticContact CG-CE1 3.64Å; Y31-Y52 HydrophobicContact CG-CE1 3.64Å; Y31-Y52 HydrophobicContact CG-CG 4.41Å
32A61.5Low63.7Low51 Ų51100.4 Ų100.442%0.42151%0.51SS..Hα-helixtrans-63.7-37.8175.700000111.8M28 K29 E30 Q36M28-A32 WeakPolarHBondContact O-CB 3.36Å; M28-A32 PolarHBondContact O-N 3.5Å; M28-A32 VanDerWaalsContact O-N 3.07Å; K29-A32 PolarHBondContact O-N 3.43Å; E30-A32 VanDerWaalsContact C-N 3.35Å; E30-A32 PolarHBondContact O-N 3.24Å; A32-Q36 VanDerWaalsContact O-CG 3.23Å; A32-Q36 WeakPolarHBondContact O-CG 3.44Å; A32-Q36 PolarHBondContact O-N 3.27Å
33L64.4Low62.5Low100 Ų100101 Ų10152%0.52452%0.518SS..Hα-helixtrans-64.8-46175.3-171.371.4000111.2K29 E30 Y31 Q35 Q36 T37K29-L33 PolarHBondContact O-N 3.17Å; E30-L33 WeakPolarHBondContact O-CB 3.29Å; E30-L33 PolarHBondContact O-N 2.86Å; E30-L33 VanDerWaalsContact O-N 3.16Å; Y31-L33 VanDerWaalsContact C-N 3.31Å; Y31-L33 PolarHBondContact O-N 3.32Å; L33-Q35 VanDerWaalsContact C-N 3.34Å; L33-Q35 PolarHBondContact O-N 3.13Å; L33-Q36 WeakPolarHBondContact O-CB 3.41Å; L33-Q36 PolarHBondContact O-N 3.13Å; L33-T37 PolarHBondContact O-N 3.17Å; L33-T37 VanDerWaalsContact O-N 3.11Å; L33-T37 PolarHBondContact O-OG1 2.98Å
34I61.7Low61.2Low25 Ų2597.5 Ų97.513%0.12852%0.516CS..Hα-helixtrans-60-44.4177.9-68165.3000110.4E30 Y31 Q36 T37 L45 Q48 L49E30-I34 VanDerWaalsContact O-CG1 3.25Å; E30-I34 WeakPolarHBondContact O-CG1 3.46Å; E30-I34 PolarHBondContact O-N 2.84Å; Y31-I34 PolarHBondContact O-N 2.93Å; I34-Q36 VanDerWaalsContact C-N 3.27Å; I34-Q36 PolarHBondContact O-N 3.39Å; I34-T37 WeakPolarHBondContact CA-OG1 3.44Å; I34-T37 PolarHBondContact O-N 3.47Å; I34-T37 VanDerWaalsContact O-N 3.11Å; I34-T37 PolarHBondContact O-OG1 3.45Å; I34-L45 HydrophobicContact CG2-CD1 3.8Å; I34-L45 HydrophobicContact CG2-CD2 4.01Å; I34-L45 HydrophobicContact CG2-CG 3.52Å; I34-Q48 HydrophobicContact CD1-CB 4.27Å; I34-L49 HydrophobicContact CG2-CD2 4.02Å; I34-L49 HydrophobicContact CG2-CG 3.95Å
35Q58.1Low60.4Low94 Ų9493.6 Ų93.644%0.43950%0.502SS..Hα-helixtrans-61.1-32.1174.8-74.9-162.4-4.200113.5Y31 L33 T37 D38 L49Y31-Q35 HydrophobicContact CD1-CG 4.38Å; Y31-Q35 HydrophobicContact CE1-CG 4.05Å; Y31-Q35 WeakPolarHBondContact O-CG 3.43Å; Y31-Q35 PolarHBondContact O-N 3.48Å; Y31-Q35 PolarHBondContact OH-NE2 3.45Å; L33-Q35 VanDerWaalsContact C-N 3.34Å; L33-Q35 PolarHBondContact O-N 3.13Å; Q35-T37 VanDerWaalsContact C-N 3.34Å; Q35-D38 VanDerWaalsContact O-CG 3.3Å; Q35-L49 HydrophobicContact CG-CD2 4.5Å
36Q59.2Low60.1Low166 Ų16691.4 Ų91.478%0.77650%0.497SS*.Hα-helixtrans-74.8-25.9176.9-66.5-81.1-26.300112.1A32 L33 I34 D38A32-Q36 VanDerWaalsContact O-CG 3.23Å; A32-Q36 WeakPolarHBondContact O-CG 3.44Å; A32-Q36 PolarHBondContact O-N 3.27Å; L33-Q36 WeakPolarHBondContact O-CB 3.41Å; L33-Q36 PolarHBondContact O-N 3.13Å; I34-Q36 VanDerWaalsContact C-N 3.27Å; I34-Q36 PolarHBondContact O-N 3.39Å; Q36-D38 PolarHBondContact O-N 2.86Å; Q36-D38 VanDerWaalsContact O-N 3.15Å
37T58.4Low59.6Low66 Ų6691.6 Ų91.641%0.40551%0.505SS..THydrogen-bonded Turntrans-79.519.6178.8540000114.6L33 I34 Q35 S39 L45L33-T37 PolarHBondContact O-N 3.17Å; L33-T37 VanDerWaalsContact O-N 3.11Å; L33-T37 PolarHBondContact O-OG1 2.98Å; I34-T37 WeakPolarHBondContact CA-OG1 3.44Å; I34-T37 PolarHBondContact O-N 3.47Å; I34-T37 VanDerWaalsContact O-N 3.11Å; I34-T37 PolarHBondContact O-OG1 3.45Å; Q35-T37 VanDerWaalsContact C-N 3.34Å; T37-S39 PolarHBondContact O-N 2.95Å; T37-L45 WeakPolarHBondContact OG1-CD1 3.45Å
38D49.7Very low59.6Low130 Ų13095.6 Ų95.670%0.69552%0.523SS*.THydrogen-bonded Turntrans-52.14.5176.8-96.5-9.8000116.2Q35 Q36Q35-D38 VanDerWaalsContact O-CG 3.3Å; Q36-D38 PolarHBondContact O-N 2.86Å; Q36-D38 VanDerWaalsContact O-N 3.15Å
39S50.9Low59.8Low119 Ų11992.1 Ų92.183%0.83251%0.507SS*.THydrogen-bonded Turntrans-97.1-13.2-172.370.60000117.2T37T37-S39 PolarHBondContact O-N 2.95Å
40S49.5Very low59.8Low115 Ų11590 Ų9080%0.80450%0.501SS*.SBendtrans-129.3-11.9-171.679.20000119.9
41G50.6Low59.9Low35 Ų3589.1 Ų89.136%0.36150%0.497SS..  trans-17192.5-178.500000115.2N43G41-N43 PolarHBondContact O-N 2.72Å
42K52.7Low60.2Low190 Ų19086.6 Ų86.683%0.82649%0.487SS*.Hα-helixtrans-56.7-23.8-174.9-67.1-178.3178.1177.80115.1
43N52.9Low61Low141 Ų14187.4 Ų87.475%0.75448%0.484SS*.Hα-helixtrans-89.2-43-173.6-67.52.3000113.5G41 S46G41-N43 PolarHBondContact O-N 2.72Å; N43-S46 PolarHBondContact O-N 3.34Å
44S53.7Low61.6Low74 Ų7485.8 Ų85.852%0.51748%0.475SS..Hα-helixtrans-70.7-35.6179.771.30000111.8S46 T47 Q48S44-S46 VanDerWaalsContact C-N 3.26Å; S44-S46 PolarHBondContact O-N 2.95Å; S44-T47 PolarHBondContact O-N 2.74Å; S44-Q48 PolarHBondContact O-N 2.95Å; S44-Q48 VanDerWaalsContact O-N 3.14Å
45L56.9Low62.4Low20 Ų2087.4 Ų87.411%0.10548%0.484CS..Hα-helixtrans-59.6-39.7176.5-141.792.6000111.4I34 T37 Q48 L49I34-L45 HydrophobicContact CG2-CD1 3.8Å; I34-L45 HydrophobicContact CG2-CD2 4.01Å; I34-L45 HydrophobicContact CG2-CG 3.52Å; T37-L45 WeakPolarHBondContact OG1-CD1 3.45Å; L45-Q48 PolarHBondContact O-N 3.42Å; L45-L49 HydrophobicContact CD2-CD1 4.04Å; L45-L49 HydrophobicContact CG-CD1 4.33Å; L45-L49 WeakPolarHBondContact O-CB 3.12Å; L45-L49 VanDerWaalsContact O-CD1 3.31Å; L45-L49 WeakPolarHBondContact O-CD1 3.44Å; L45-L49 WeakPolarHBondContact O-CG 3.24Å; L45-L49 PolarHBondContact O-N 3.02Å
46S65Low63.3Low60 Ų6084.8 Ų84.842%0.4247%0.473SS..Hα-helixtrans-61.7-46.2179.3-1730000111.8N43 S44 L49 I50N43-S46 PolarHBondContact O-N 3.34Å; S44-S46 VanDerWaalsContact C-N 3.26Å; S44-S46 PolarHBondContact O-N 2.95Å; S46-L49 PolarHBondContact O-N 3.02Å; S46-I50 WeakPolarHBondContact O-CD1 3.41Å; S46-I50 VanDerWaalsContact O-CG1 3.22Å; S46-I50 WeakPolarHBondContact O-CG1 3.47Å; S46-I50 PolarHBondContact O-N 3.42Å
47T65.2Low64.4Low96 Ų9684.2 Ų84.259%0.58947%0.468SS*.Hα-helixtrans-64.6-43.6178.6-50.90000111.7S44 L49 I50 Q51S44-T47 PolarHBondContact O-N 2.74Å; T47-L49 PolarHBondContact O-N 3.31Å; T47-I50 PolarHBondContact O-N 3.23Å; T47-Q51 PolarHBondContact O-N 3.35Å
48Q68.8Low65.5Low103 Ų10388.3 Ų88.348%0.48148%0.476SS..Hα-helixtrans-62.1-43.2176.2-69.9-178.7-2.300111.8I34 S44 L45 I50 Q51 Y52I34-Q48 HydrophobicContact CD1-CB 4.27Å; S44-Q48 PolarHBondContact O-N 2.95Å; S44-Q48 VanDerWaalsContact O-N 3.14Å; L45-Q48 PolarHBondContact O-N 3.42Å; Q48-I50 VanDerWaalsContact C-N 3.33Å; Q48-I50 PolarHBondContact O-N 3.11Å; Q48-Q51 PolarHBondContact O-N 3.21Å; Q48-Y52 VanDerWaalsContact O-CB 3.24Å; Q48-Y52 WeakPolarHBondContact O-CB 3.37Å; Q48-Y52 PolarHBondContact O-N 3.08Å
49L71.1Confident66.9Low36 Ų3683 Ų8319%0.18845%0.448CS..Hα-helixtrans-62.4-37.7175-73.2162.3000112.3Y31 I34 Q35 L45 S46 T47 N53Y31-L49 HydrophobicContact CD2-CD2 3.56Å; Y31-L49 HydrophobicContact CE2-CD2 3.1Å; Y31-L49 HydrophobicContact CE2-CG 4.43Å; I34-L49 HydrophobicContact CG2-CD2 4.02Å; I34-L49 HydrophobicContact CG2-CG 3.95Å; Q35-L49 HydrophobicContact CG-CD2 4.5Å; L45-L49 HydrophobicContact CD2-CD1 4.04Å; L45-L49 HydrophobicContact CG-CD1 4.33Å; L45-L49 WeakPolarHBondContact O-CB 3.12Å; L45-L49 VanDerWaalsContact O-CD1 3.31Å; L45-L49 WeakPolarHBondContact O-CD1 3.44Å; L45-L49 WeakPolarHBondContact O-CG 3.24Å; L45-L49 PolarHBondContact O-N 3.02Å; S46-L49 PolarHBondContact O-N 3.02Å; T47-L49 PolarHBondContact O-N 3.31Å; L49-N53 PolarHBondContact O-N 2.79Å; L49-N53 VanDerWaalsContact O-N 3.13Å; L49-N53 PolarHBondContact O-ND2 3.01Å
50I72.6Confident68.4Low94 Ų9480 Ų8048%0.48242%0.422SS..Hα-helixtrans-66.5-50.6176-70.1163.3000110.3S46 T47 Q48 Y52 N53 I54S46-I50 WeakPolarHBondContact O-CD1 3.41Å; S46-I50 VanDerWaalsContact O-CG1 3.22Å; S46-I50 WeakPolarHBondContact O-CG1 3.47Å; S46-I50 PolarHBondContact O-N 3.42Å; T47-I50 PolarHBondContact O-N 3.23Å; Q48-I50 VanDerWaalsContact C-N 3.33Å; Q48-I50 PolarHBondContact O-N 3.11Å; I50-Y52 VanDerWaalsContact C-N 3.25Å; I50-Y52 PolarHBondContact O-N 3.04Å; I50-N53 PolarHBondContact O-N 3.5Å; I50-N53 VanDerWaalsContact O-N 3.14Å; I50-I54 HydrophobicContact CG2-CD1 4Å; I50-I54 WeakPolarHBondContact O-CG1 3.42Å; I50-I54 PolarHBondContact O-N 3.38Å
51Q73.1Confident70.1Confident92 Ų9277 Ų7743%0.4340%0.396SS..Hα-helixtrans-59.3-40.7179.5-172.758.440.800111.4T47 Q48 I54 N55T47-Q51 PolarHBondContact O-N 3.35Å; Q48-Q51 PolarHBondContact O-N 3.21Å; Q51-I54 WeakPolarHBondContact O-CB 3.47Å; Q51-I54 PolarHBondContact O-N 3.18Å; Q51-N55 PolarHBondContact NE2-OD1 3.06Å; Q51-N55 PolarHBondContact O-N 3.09Å
52Y69.6Low71.7Confident11 Ų1179.1 Ų79.14%0.04340%0.399CS..Hα-helixtrans-56.5-51.1173.9179.2-91.6000112.7L27 M28 Y31 Q48 I50 I54 N55 L56L27-Y52 VanDerWaalsContact C-CZ 3.46Å; L27-Y52 HydrophobicContact CB-CD2 4.45Å; L27-Y52 HydrophobicContact CB-CE2 3.38Å; L27-Y52 WeakPolarHBondContact CB-OH 3.16Å; L27-Y52 HydrophobicContact CD2-CD2 3.92Å; L27-Y52 HydrophobicContact CD2-CE2 3.64Å; L27-Y52 HydrophobicContact CG-CE2 4.06Å; L27-Y52 WeakPolarHBondContact O-CE2 3.36Å; L27-Y52 VanDerWaalsContact O-CZ 3.28Å; L27-Y52 PolarHBondContact O-OH 3.01Å; M28-Y52 WeakPolarHBondContact CA-OH 3.4Å; M28-Y52 PolarHBondContact N-OH 3.48Å; Y31-Y52 AromaticContact CD2-CD1 3.16Å; Y31-Y52 HydrophobicContact CD2-CD1 3.16Å; Y31-Y52 HydrophobicContact CD2-CD2 4.44Å; Y31-Y52 AromaticContact CD2-CE1 3.48Å; Y31-Y52 HydrophobicContact CD2-CE1 3.48Å; Y31-Y52 VanDerWaalsContact CD2-CE1 3.48Å; Y31-Y52 AromaticContact CD2-CG 3.72Å; Y31-Y52 HydrophobicContact CD2-CG 3.72Å; Y31-Y52 AromaticContact CE2-CD1 3.83Å; Y31-Y52 HydrophobicContact CE2-CD1 3.83Å; Y31-Y52 HydrophobicContact CE2-CE1 4.25Å; Y31-Y52 AromaticContact CG-CD1 3.83Å; Y31-Y52 HydrophobicContact CG-CD1 3.83Å; Y31-Y52 AromaticContact CG-CE1 3.64Å; Y31-Y52 HydrophobicContact CG-CE1 3.64Å; Y31-Y52 HydrophobicContact CG-CG 4.41Å; Q48-Y52 VanDerWaalsContact O-CB 3.24Å; Q48-Y52 WeakPolarHBondContact O-CB 3.37Å; Q48-Y52 PolarHBondContact O-N 3.08Å; I50-Y52 VanDerWaalsContact C-N 3.25Å; I50-Y52 PolarHBondContact O-N 3.04Å; Y52-I54 VanDerWaalsContact C-N 3.25Å; Y52-I54 PolarHBondContact O-N 3.32Å; Y52-N55 PolarHBondContact O-N 3.04Å; Y52-N55 VanDerWaalsContact O-N 3.15Å; Y52-L56 HydrophobicContact CE1-CB 4.38Å; Y52-L56 HydrophobicContact CE1-CD2 4.07Å; Y52-L56 WeakPolarHBondContact O-CB 3.42Å; Y52-L56 PolarHBondContact O-N 3.12Å
53N76.2Confident73Confident68 Ų6871 Ų7136%0.36436%0.364SS..Hα-helixtrans-62.6-33.6179.6-77.6-46.9000112.3L49 I50 K57L49-N53 PolarHBondContact O-N 2.79Å; L49-N53 VanDerWaalsContact O-N 3.13Å; L49-N53 PolarHBondContact O-ND2 3.01Å; I50-N53 PolarHBondContact O-N 3.5Å; I50-N53 VanDerWaalsContact O-N 3.14Å; N53-K57 WeakPolarHBondContact O-CG 3.5Å; N53-K57 PolarHBondContact O-N 3.25Å; N53-K57 VanDerWaalsContact O-N 3.13Å
54I78.4Confident74.5Confident66 Ų6670.4 Ų70.434%0.33835%0.352SS..Hα-helixtrans-65.6-48.3173.7-66.8167.3000110.2I50 Q51 Y52 L56 K57 R58I50-I54 HydrophobicContact CG2-CD1 4Å; I50-I54 WeakPolarHBondContact O-CG1 3.42Å; I50-I54 PolarHBondContact O-N 3.38Å; Q51-I54 WeakPolarHBondContact O-CB 3.47Å; Q51-I54 PolarHBondContact O-N 3.18Å; Y52-I54 VanDerWaalsContact C-N 3.25Å; Y52-I54 PolarHBondContact O-N 3.32Å; I54-L56 VanDerWaalsContact C-N 3.34Å; I54-L56 PolarHBondContact O-N 2.79Å; I54-K57 PolarHBondContact O-N 2.95Å; I54-R58 WeakPolarHBondContact O-CG 3.49Å; I54-R58 PolarHBondContact O-N 3.03Å
55N78.8Confident76.1Confident60 Ų6071.9 Ų71.932%0.32135%0.349SS..Hα-helixtrans-61.8-42.2179.4-71.7-12.1000111.8Q51 Y52 R58 L59Q51-N55 PolarHBondContact NE2-OD1 3.06Å; Q51-N55 PolarHBondContact O-N 3.09Å; Y52-N55 PolarHBondContact O-N 3.04Å; Y52-N55 VanDerWaalsContact O-N 3.15Å; N55-R58 PolarHBondContact O-N 2.91Å; N55-L59 WeakPolarHBondContact O-CB 3.45Å; N55-L59 PolarHBondContact O-N 2.95Å
56L75.8Confident77.2Confident39 Ų3972 Ų7220%0.20435%0.351CS..Hα-helixtrans-62.2-44.7177.2-167.168.2000111.7R24 Y52 I54 R58 L59 D60R24-L56 HydrophobicContact CG-CD1 3.65Å; Y52-L56 HydrophobicContact CE1-CB 4.38Å; Y52-L56 HydrophobicContact CE1-CD2 4.07Å; Y52-L56 WeakPolarHBondContact O-CB 3.42Å; Y52-L56 PolarHBondContact O-N 3.12Å; I54-L56 VanDerWaalsContact C-N 3.34Å; I54-L56 PolarHBondContact O-N 2.79Å; L56-R58 PolarHBondContact O-N 3.34Å; L56-L59 PolarHBondContact O-N 2.83Å; L56-D60 PolarHBondContact O-N 3.43Å
57K82.2Confident78.1Confident154 Ų15473.2 Ų73.267%0.6735%0.349SS*.Hα-helixtrans-63-41175.4-76.1177.6-180179.60112.7N53 I54 L59 E61N53-K57 WeakPolarHBondContact O-CG 3.5Å; N53-K57 PolarHBondContact O-N 3.25Å; N53-K57 VanDerWaalsContact O-N 3.13Å; I54-K57 PolarHBondContact O-N 2.95Å; K57-L59 VanDerWaalsContact C-N 3.33Å; K57-E61 PolarHBondContact O-N 3.42Å
58R82Confident79.1Confident151 Ų15174.7 Ų74.757%0.5734%0.344SS*.Hα-helixtrans-62.3-42.8175.5-74.7178.2179.3-1780.7111I54 N55 L56 E61 N62I54-R58 WeakPolarHBondContact O-CG 3.49Å; I54-R58 PolarHBondContact O-N 3.03Å; N55-R58 PolarHBondContact O-N 2.91Å; L56-R58 PolarHBondContact O-N 3.34Å; R58-E61 PolarHBondContact O-N 3.46Å; R58-N62 VanDerWaalsContact O-CG 3.29Å; R58-N62 PolarHBondContact O-N 2.97Å; R58-N62 PolarHBondContact O-ND2 3.08Å
59L79.8Confident79.9Confident19 Ų1976.3 Ų76.310%0.09935%0.35CS..Hα-helixtrans-65-46.1178.3-175.458.7000111.8C20 R23 R24 L27 N55 L56 K57 E61 N62 V63C20-L59 HydrophobicContact CB-CD1 3.82Å; R23-L59 HydrophobicContact CB-CD2 4.24Å; R23-L59 HydrophobicContact CG-CD2 4.38Å; R24-L59 HydrophobicContact CB-CD2 3.64Å; R24-L59 HydrophobicContact CG-CD2 4.26Å; L27-L59 HydrophobicContact CD1-CD2 4Å; N55-L59 WeakPolarHBondContact O-CB 3.45Å; N55-L59 PolarHBondContact O-N 2.95Å; L56-L59 PolarHBondContact O-N 2.83Å; K57-L59 VanDerWaalsContact C-N 3.33Å; L59-E61 VanDerWaalsContact C-N 3.31Å; L59-E61 PolarHBondContact O-N 3.38Å; L59-N62 WeakPolarHBondContact O-CB 3.34Å; L59-N62 PolarHBondContact O-N 3.41Å; L59-N62 VanDerWaalsContact O-N 3.12Å; L59-V63 WeakPolarHBondContact O-CG2 3.49Å; L59-V63 PolarHBondContact O-N 3.39Å
60D81.9Confident80.4Confident56 Ų5677 Ų7730%0.29935%0.352SS..Hα-helixtrans-59.6-40.7175.9-79-20.5000111.7R24 L56 V63 R64R24-D60 IonicContact NH1-OD1 3.99Å; L56-D60 PolarHBondContact O-N 3.43Å; D60-V63 PolarHBondContact O-N 2.94Å; D60-R64 WeakPolarHBondContact O-CG 3.45Å; D60-R64 PolarHBondContact O-N 3.08Å
61E85.9Confident81Confident53 Ų5377 Ų7725%0.24835%0.35CS..Hα-helixtrans-66.3-38.4174.7-17654.3-148.500112.5K57 R58 L59 R64 K65 R68K57-E61 PolarHBondContact O-N 3.42Å; R58-E61 PolarHBondContact O-N 3.46Å; L59-E61 VanDerWaalsContact C-N 3.31Å; L59-E61 PolarHBondContact O-N 3.38Å; E61-R64 PolarHBondContact O-N 3.46Å; E61-R64 IonicContact OE2-CZ 3.22Å; E61-R64 VanDerWaalsContact OE2-CZ 3.22Å; E61-R64 IonicContact OE2-NE 3.84Å; E61-R64 PolarHBondContact OE2-NE 3.32Å; E61-R64 IonicContact OE2-NH2 2.69Å; E61-R64 PolarHBondContact OE2-NH2 2.96Å; E61-K65 WeakPolarHBondContact O-CG 3.44Å; E61-K65 PolarHBondContact O-N 3.44Å; E61-R68 IonicContact OE1-CZ 2.94Å; E61-R68 IonicContact OE1-NH1 2.92Å; E61-R68 IonicContact OE1-NH2 3.87Å; E61-R68 PolarHBondContact OE1-NH2 3.42Å; E61-R68 VanDerWaalsContact OE1-NH2 3.09Å; E61-R68 IonicContact OE2-NH2 3.95Å
62N83Confident81.6Confident79 Ų7977.3 Ų77.342%0.42235%0.354SS..Hα-helixtrans-64.2-41.7175.4-73.6-17.7000111.7R58 L59 K65 V66R58-N62 VanDerWaalsContact O-CG 3.29Å; R58-N62 PolarHBondContact O-N 2.97Å; R58-N62 PolarHBondContact O-ND2 3.08Å; L59-N62 WeakPolarHBondContact O-CB 3.34Å; L59-N62 PolarHBondContact O-N 3.41Å; L59-N62 VanDerWaalsContact O-N 3.12Å; N62-K65 WeakPolarHBondContact O-CB 3.35Å; N62-K65 PolarHBondContact O-N 3.49Å; N62-V66 WeakPolarHBondContact O-CG2 3.09Å; N62-V66 PolarHBondContact O-N 3.49Å
63V80.7Confident82.1Confident18 Ų1877.1 Ų77.111%0.10935%0.353CS..Hα-helixtrans-58.2-49.8173.21720000110.2C20 L59 D60 K65 V66 E67C20-V63 HydrophobicContact CB-CG2 3.53Å; L59-V63 WeakPolarHBondContact O-CG2 3.49Å; L59-V63 PolarHBondContact O-N 3.39Å; D60-V63 PolarHBondContact O-N 2.94Å; V63-K65 VanDerWaalsContact C-N 3.29Å; V63-K65 PolarHBondContact O-N 2.84Å; V63-V66 PolarHBondContact O-N 2.96Å; V63-V66 VanDerWaalsContact O-N 3.1Å; V63-E67 HydrophobicContact CG1-CG 4.31Å; V63-E67 WeakPolarHBondContact O-CG 3.27Å; V63-E67 PolarHBondContact O-N 3.33Å
64R84.6Confident82.4Confident130 Ų13078.6 Ų78.649%0.49136%0.356SS..Hα-helixtrans-57.7-39.5176.9-72.6-168.4-67.4-131.2-0.4112.8D60 E61 R68D60-R64 WeakPolarHBondContact O-CG 3.45Å; D60-R64 PolarHBondContact O-N 3.08Å; E61-R64 PolarHBondContact O-N 3.46Å; E61-R64 IonicContact OE2-CZ 3.22Å; E61-R64 VanDerWaalsContact OE2-CZ 3.22Å; E61-R64 IonicContact OE2-NE 3.84Å; E61-R64 PolarHBondContact OE2-NE 3.32Å; E61-R64 IonicContact OE2-NH2 2.69Å; E61-R64 PolarHBondContact OE2-NH2 2.96Å; R64-R68 WeakPolarHBondContact O-CG 3.43Å; R64-R68 PolarHBondContact O-N 3.3Å
65K87.2Confident82.3Confident105 Ų10578.6 Ų78.646%0.45736%0.361SS..Hα-helixtrans-63.5-43.2176.1-75.6173.1180174.40112E61 N62 V63 R68 K69E61-K65 WeakPolarHBondContact O-CG 3.44Å; E61-K65 PolarHBondContact O-N 3.44Å; N62-K65 WeakPolarHBondContact O-CB 3.35Å; N62-K65 PolarHBondContact O-N 3.49Å; V63-K65 VanDerWaalsContact C-N 3.29Å; V63-K65 PolarHBondContact O-N 2.84Å; K65-R68 PolarHBondContact O-N 2.95Å; K65-K69 WeakPolarHBondContact O-CG 2.89Å; K65-K69 PolarHBondContact O-N 3.26Å; K65-K69 VanDerWaalsContact O-N 3.12Å
66V79.1Confident82.3Confident23 Ų2380.3 Ų80.314%0.13937%0.368CS..Hα-helixtrans-66.9-42.2178.7176.20000110.7L13 I17 N62 V63 R68 K69 H70L13-V66 HydrophobicContact CB-CG1 4.38Å; L13-V66 HydrophobicContact CD2-CG1 3.8Å; I17-V66 HydrophobicContact CD1-CG1 3.97Å; I17-V66 HydrophobicContact CG1-CB 4.37Å; I17-V66 HydrophobicContact CG1-CG1 3.55Å; N62-V66 WeakPolarHBondContact O-CG2 3.09Å; N62-V66 PolarHBondContact O-N 3.49Å; V63-V66 PolarHBondContact O-N 2.96Å; V63-V66 VanDerWaalsContact O-N 3.1Å; V66-R68 PolarHBondContact O-N 3.17Å; V66-K69 PolarHBondContact O-N 3.42Å; V66-H70 PolarHBondContact O-N 3.05Å
67E83.3Confident82.2Confident84 Ų8479.8 Ų79.839%0.39336%0.364SS..Hα-helixtrans-61.6-43.2175.8-71.5175.1159.500112.2I17 V63 K69 H70 E71I17-E67 HydrophobicContact CD1-CG 4.47Å; V63-E67 HydrophobicContact CG1-CG 4.31Å; V63-E67 WeakPolarHBondContact O-CG 3.27Å; V63-E67 PolarHBondContact O-N 3.33Å; E67-K69 VanDerWaalsContact C-N 3.35Å; E67-K69 PolarHBondContact O-N 2.89Å; E67-H70 WeakPolarHBondContact O-CB 3.34Å; E67-H70 PolarHBondContact O-N 3.46Å; E67-E71 PolarHBondContact O-N 3.5Å
68R87.8Confident82.1Confident127 Ų12777 Ų7748%0.47935%0.353SS..Hα-helixtrans-60-43.3174-73.5-177.1-136.5119.61.4112.1E61 R64 K65 V66 H70 E71 I72E61-R68 IonicContact OE1-CZ 2.94Å; E61-R68 IonicContact OE1-NH1 2.92Å; E61-R68 IonicContact OE1-NH2 3.87Å; E61-R68 PolarHBondContact OE1-NH2 3.42Å; E61-R68 VanDerWaalsContact OE1-NH2 3.09Å; E61-R68 IonicContact OE2-NH2 3.95Å; R64-R68 WeakPolarHBondContact O-CG 3.43Å; R64-R68 PolarHBondContact O-N 3.3Å; K65-R68 PolarHBondContact O-N 2.95Å; V66-R68 PolarHBondContact O-N 3.17Å; R68-H70 VanDerWaalsContact C-N 3.33Å; R68-E71 PolarHBondContact O-N 3.2Å; R68-I72 WeakPolarHBondContact O-CG1 3.39Å; R68-I72 PolarHBondContact O-N 2.82Å; R68-I72 VanDerWaalsContact O-N 3.09Å
69K84.3Confident81.8Confident138 Ų13876.7 Ų76.760%0.636%0.356SS*.Hα-helixtrans-61.9-42.7176.4-74.9-175.9176.3-1710111.5L13 K65 V66 E67 E71 I72 L73L13-K69 HydrophobicContact CD2-CB 4.49Å; K65-K69 WeakPolarHBondContact O-CG 2.89Å; K65-K69 PolarHBondContact O-N 3.26Å; K65-K69 VanDerWaalsContact O-N 3.12Å; V66-K69 PolarHBondContact O-N 3.42Å; E67-K69 VanDerWaalsContact C-N 3.35Å; E67-K69 PolarHBondContact O-N 2.89Å; K69-E71 VanDerWaalsContact C-N 3.34Å; K69-E71 PolarHBondContact O-N 2.87Å; K69-I72 PolarHBondContact O-N 2.88Å; K69-L73 WeakPolarHBondContact O-CB 3.42Å; K69-L73 PolarHBondContact O-N 3.02Å
70H82.3Confident81.5Confident51 Ų5178.8 Ų78.824%0.23637%0.367CS..Hα-helixtrans-59.1-44176.2-179.773.5000112.1L13 V66 E67 R68 L73 K74L13-H70 HydrophobicContact CD1-CB 4.33Å; V66-H70 PolarHBondContact O-N 3.05Å; E67-H70 WeakPolarHBondContact O-CB 3.34Å; E67-H70 PolarHBondContact O-N 3.46Å; R68-H70 VanDerWaalsContact C-N 3.33Å; H70-L73 PolarHBondContact O-N 2.78Å; H70-K74 WeakPolarHBondContact O-CB 3.42Å; H70-K74 PolarHBondContact O-N 3.42Å
71E84.9Confident81.1Confident93 Ų9380.7 Ų80.744%0.43537%0.372SS..Hα-helixtrans-67.3-39.5179.5-165.859.5-144.500112.7E67 R68 K69 L73 K74 C75E67-E71 PolarHBondContact O-N 3.5Å; R68-E71 PolarHBondContact O-N 3.2Å; K69-E71 VanDerWaalsContact C-N 3.34Å; K69-E71 PolarHBondContact O-N 2.87Å; E71-L73 VanDerWaalsContact C-N 3.35Å; E71-K74 PolarHBondContact O-N 3.26Å; E71-K74 IonicContact OE1-NZ 3.31Å; E71-K74 IonicContact OE2-NZ 3.91Å; E71-C75 PolarHBondContact O-N 3.46Å; E71-C75 PolarHBondContact O-SG 3.43Å
72I85.4Confident80.5Confident99 Ų9982.1 Ų82.151%0.50838%0.379SS..Hα-helixtrans-60.8-47173.8-68.4166.3000110.3R68 K69 K74 C75 Q76R68-I72 WeakPolarHBondContact O-CG1 3.39Å; R68-I72 PolarHBondContact O-N 2.82Å; R68-I72 VanDerWaalsContact O-N 3.09Å; K69-I72 PolarHBondContact O-N 2.88Å; I72-K74 VanDerWaalsContact C-N 3.33Å; I72-K74 PolarHBondContact O-N 2.88Å; I72-C75 WeakPolarHBondContact O-CB 3.34Å; I72-C75 PolarHBondContact O-N 3.24Å; I72-Q76 WeakPolarHBondContact O-CG 3.35Å; I72-Q76 PolarHBondContact O-N 3.15Å
73L80.3Confident79.9Confident7 Ų782.4 Ų82.44%0.03738%0.38CS..Hα-helixtrans-62.8-41.5-179-179.756.3000111.5M1 Y6 E9 I10 L13 K69 H70 E71 Q76 F77M1-L73 HydrophobicContact CE-CD1 3.48Å; M1-L73 VanDerWaalsContact CE-CD1 3.48Å; M1-L73 HydrophobicContact SD-CD1 3.42Å; M1-L73 WeakPolarHBondContact SD-CD1 3.45Å; Y6-L73 HydrophobicContact CD2-CD1 3.77Å; Y6-L73 HydrophobicContact CD2-CD2 4.25Å; Y6-L73 HydrophobicContact CD2-CG 3.75Å; Y6-L73 HydrophobicContact CE2-CD1 4.18Å; Y6-L73 HydrophobicContact CE2-CD2 4.4Å; Y6-L73 HydrophobicContact CE2-CG 3.73Å; E9-L73 HydrophobicContact CB-CD2 4.01Å; E9-L73 HydrophobicContact CG-CD2 3.82Å; I10-L73 HydrophobicContact CG1-CD2 3.86Å; L13-L73 HydrophobicContact CD1-CD2 3.94Å; K69-L73 WeakPolarHBondContact O-CB 3.42Å; K69-L73 PolarHBondContact O-N 3.02Å; H70-L73 PolarHBondContact O-N 2.78Å; E71-L73 VanDerWaalsContact C-N 3.35Å; L73-Q76 PolarHBondContact O-N 3.15Å; L73-F77 PolarHBondContact O-N 3.11Å
74K82.8Confident79.3Confident98 Ų9885 Ų8543%0.42640%0.397SS..Hα-helixtrans-59.4-44.9173.3-175-176.4174.6-166.70112.3H70 E71 I72 Q76 F77 E78H70-K74 WeakPolarHBondContact O-CB 3.42Å; H70-K74 PolarHBondContact O-N 3.42Å; E71-K74 PolarHBondContact O-N 3.26Å; E71-K74 IonicContact OE1-NZ 3.31Å; E71-K74 IonicContact OE2-NZ 3.91Å; I72-K74 VanDerWaalsContact C-N 3.33Å; I72-K74 PolarHBondContact O-N 2.88Å; K74-Q76 PolarHBondContact O-N 2.94Å; K74-F77 PolarHBondContact O-N 2.99Å; K74-E78 PolarHBondContact O-N 3.19Å; K74-E78 VanDerWaalsContact O-N 3.11Å
75C76.9Confident78.4Confident66 Ų6686.5 Ų86.545%0.44640%0.402SS..Hα-helixtrans-60.3-42.7174.5-71.60000112.5E71 I72 F77 K79E71-C75 PolarHBondContact O-N 3.46Å; E71-C75 PolarHBondContact O-SG 3.43Å; I72-C75 WeakPolarHBondContact O-CB 3.34Å; I72-C75 PolarHBondContact O-N 3.24Å; C75-F77 VanDerWaalsContact C-N 3.34Å; C75-F77 PolarHBondContact O-N 3.44Å; C75-K79 WeakPolarHBondContact O-CG 3.48Å; C75-K79 PolarHBondContact O-N 2.9Å; C75-K79 VanDerWaalsContact O-N 3.1Å
76Q78.1Confident77.2Confident97 Ų9786.5 Ų86.545%0.45340%0.404SS..Hα-helixtrans-63.7-40178.1-72.2-179.5-12.300112.1I72 L73 K74 K79 I80I72-Q76 WeakPolarHBondContact O-CG 3.35Å; I72-Q76 PolarHBondContact O-N 3.15Å; L73-Q76 PolarHBondContact O-N 3.15Å; K74-Q76 PolarHBondContact O-N 2.94Å; Q76-K79 WeakPolarHBondContact O-CB 3.47Å; Q76-K79 PolarHBondContact O-N 3.38Å; Q76-I80 WeakPolarHBondContact O-CG1 3.34Å; Q76-I80 PolarHBondContact O-N 3.11Å
77F74.5Confident76.2Confident27 Ų2791.7 Ų91.712%0.11843%0.426CS..Hα-helixtrans-66.6-43178.4-173.4-97.7000113R3 Y6 L73 K74 C75 K79 I80 K81R3-F77 HydrophobicContact CG-CE2 4.08Å; R3-F77 HydrophobicContact CG-CZ 4.41Å; Y6-F77 HydrophobicContact CD1-CD1 4.43Å; Y6-F77 AromaticContact CD1-CD2 3.44Å; Y6-F77 HydrophobicContact CD1-CD2 3.44Å; Y6-F77 VanDerWaalsContact CD1-CD2 3.44Å; Y6-F77 HydrophobicContact CD1-CE1 4.49Å; Y6-F77 AromaticContact CD1-CE2 3.5Å; Y6-F77 HydrophobicContact CD1-CE2 3.5Å; Y6-F77 AromaticContact CD1-CG 3.92Å; Y6-F77 HydrophobicContact CD1-CG 3.92Å; Y6-F77 HydrophobicContact CD1-CZ 4.05Å; Y6-F77 HydrophobicContact CD2-CB 3.63Å; Y6-F77 AromaticContact CD2-CD2 3.56Å; Y6-F77 HydrophobicContact CD2-CD2 3.56Å; Y6-F77 HydrophobicContact CD2-CE2 4.43Å; Y6-F77 AromaticContact CD2-CG 3.81Å; Y6-F77 HydrophobicContact CD2-CG 3.81Å; Y6-F77 HydrophobicContact CE1-CB 4.26Å; Y6-F77 AromaticContact CE1-CD1 3.91Å; Y6-F77 HydrophobicContact CE1-CD1 3.91Å; Y6-F77 AromaticContact CE1-CD2 3.74Å; Y6-F77 HydrophobicContact CE1-CD2 3.74Å; Y6-F77 HydrophobicContact CE1-CE1 4.12Å; Y6-F77 AromaticContact CE1-CE2 3.94Å; Y6-F77 HydrophobicContact CE1-CE2 3.94Å; Y6-F77 AromaticContact CE1-CG 3.7Å; Y6-F77 HydrophobicContact CE1-CG 3.7Å; Y6-F77 HydrophobicContact CE1-CZ 4.12Å; Y6-F77 HydrophobicContact CE2-CB 3.24Å; Y6-F77 HydrophobicContact CE2-CD1 4.4Å; Y6-F77 AromaticContact CE2-CD2 3.87Å; Y6-F77 HydrophobicContact CE2-CD2 3.87Å; Y6-F77 AromaticContact CE2-CG 3.61Å; Y6-F77 HydrophobicContact CE2-CG 3.61Å; Y6-F77 HydrophobicContact CG-CB 4.28Å; Y6-F77 AromaticContact CG-CD2 3.31Å; Y6-F77 HydrophobicContact CG-CD2 3.31Å; Y6-F77 AromaticContact CG-CE2 3.75Å; Y6-F77 HydrophobicContact CG-CE2 3.75Å; Y6-F77 AromaticContact CG-CG 3.94Å; Y6-F77 HydrophobicContact CG-CG 3.94Å; Y6-F77 AromaticContact CZ-CD1 3.88Å; Y6-F77 AromaticContact CZ-CD2 3.93Å; Y6-F77 AromaticContact CZ-CG 3.52Å; L73-F77 PolarHBondContact O-N 3.11Å; K74-F77 PolarHBondContact O-N 2.99Å; C75-F77 VanDerWaalsContact C-N 3.34Å; C75-F77 PolarHBondContact O-N 3.44Å; F77-K79 VanDerWaalsContact C-N 3.3Å; F77-K79 PolarHBondContact O-N 3.28Å; F77-I80 PolarHBondContact O-N 2.9Å; F77-K81 WeakPolarHBondContact O-CB 3.28Å; F77-K81 PolarHBondContact O-N 2.84Å
78E78.2Confident75.2Confident95 Ų9590.8 Ų90.844%0.44443%0.429SS..Hα-helixtrans-64.6-34.9175.3-74-61.4147.600111.8K74 K81 Q82K74-E78 PolarHBondContact O-N 3.19Å; K74-E78 VanDerWaalsContact O-N 3.11Å; E78-K81 PolarHBondContact O-N 2.93Å; E78-K81 IonicContact OE1-NZ 3.2Å; E78-K81 PolarHBondContact OE1-NZ 3.13Å; E78-K81 WeakPolarHBondContact OE2-CD 3.49Å; E78-K81 IonicContact OE2-NZ 2.74Å; E78-K81 PolarHBondContact OE2-NZ 3.01Å; E78-Q82 WeakPolarHBondContact O-CB 3.22Å; E78-Q82 PolarHBondContact O-N 3.38Å
79K76.7Confident74Confident146 Ų14688.5 Ų88.564%0.63543%0.426SS*.Hα-helixtrans-61.1-46.9170.7-75.7179.4179.5-178.40112.3C75 Q76 F77 K81 Q82 N83C75-K79 WeakPolarHBondContact O-CG 3.48Å; C75-K79 PolarHBondContact O-N 2.9Å; C75-K79 VanDerWaalsContact O-N 3.1Å; Q76-K79 WeakPolarHBondContact O-CB 3.47Å; Q76-K79 PolarHBondContact O-N 3.38Å; F77-K79 VanDerWaalsContact C-N 3.3Å; F77-K79 PolarHBondContact O-N 3.28Å; K79-K81 VanDerWaalsContact C-N 3.31Å; K79-K81 PolarHBondContact O-N 3.15Å; K79-Q82 PolarHBondContact O-N 3.12Å; K79-N83 VanDerWaalsContact O-CG 3.25Å; K79-N83 PolarHBondContact O-N 3.38Å; K79-N83 PolarHBondContact O-OD1 3.14Å
80I73.9Confident72.5Confident63 Ų6386.8 Ų86.832%0.32342%0.423SS..Hα-helixtrans-60.3-44.4177.8-68.2166000110.4M1 Q76 F77 Q82 N83 T84M1-I80 HydrophobicContact CB-CD1 3.94Å; Q76-I80 WeakPolarHBondContact O-CG1 3.34Å; Q76-I80 PolarHBondContact O-N 3.11Å; F77-I80 PolarHBondContact O-N 2.9Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.17Å; I80-N83 PolarHBondContact O-N 3.42Å; I80-T84 PolarHBondContact O-N 3.29Å; I80-T84 PolarHBondContact O-OG1 3.28Å
81K74.1Confident71.5Confident96 Ų9689.3 Ų89.342%0.41744%0.438SS..Hα-helixtrans-62.8-38.8179.2-178.2178160.9-1510112.5F77 E78 K79 R85F77-K81 WeakPolarHBondContact O-CB 3.28Å; F77-K81 PolarHBondContact O-N 2.84Å; E78-K81 PolarHBondContact O-N 2.93Å; E78-K81 IonicContact OE1-NZ 3.2Å; E78-K81 PolarHBondContact OE1-NZ 3.13Å; E78-K81 WeakPolarHBondContact OE2-CD 3.49Å; E78-K81 IonicContact OE2-NZ 2.74Å; E78-K81 PolarHBondContact OE2-NZ 3.01Å; K79-K81 VanDerWaalsContact C-N 3.31Å; K79-K81 PolarHBondContact O-N 3.15Å; K81-R85 PolarHBondContact O-N 3.07Å; K81-R85 VanDerWaalsContact O-N 3.17Å
82Q73.2Confident70Confident82 Ų8289.7 Ų89.738%0.38344%0.441SS..Hα-helixtrans-68.1-44.7174.8-175.560.219.900111.3E78 K79 I80 T84 R85 E86E78-Q82 WeakPolarHBondContact O-CB 3.22Å; E78-Q82 PolarHBondContact O-N 3.38Å; K79-Q82 PolarHBondContact O-N 3.12Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.17Å; Q82-T84 PolarHBondContact O-N 3.45Å; Q82-R85 WeakPolarHBondContact O-CB 3.13Å; Q82-R85 PolarHBondContact O-N 3.41Å; Q82-R85 VanDerWaalsContact O-N 3.11Å; Q82-E86 WeakPolarHBondContact CG-OE1 3.37Å; Q82-E86 PolarHBondContact NE2-OE1 3.43Å; Q82-E86 WeakPolarHBondContact O-CG 3.48Å; Q82-E86 PolarHBondContact O-N 3.23Å
83N69.1Low68.5Low86 Ų8688.8 Ų88.846%0.4644%0.437SS..Hα-helixtrans-60.5-42.8176.3-68.10.4000111.8K79 I80 R85 E86 E87K79-N83 VanDerWaalsContact O-CG 3.25Å; K79-N83 PolarHBondContact O-N 3.38Å; K79-N83 PolarHBondContact O-OD1 3.14Å; I80-N83 PolarHBondContact O-N 3.42Å; N83-R85 VanDerWaalsContact C-N 3.29Å; N83-R85 PolarHBondContact O-N 3.26Å; N83-E86 PolarHBondContact O-N 2.95Å; N83-E87 WeakPolarHBondContact O-CB 3.35Å; N83-E87 WeakPolarHBondContact O-CG 3.49Å; N83-E87 PolarHBondContact O-N 3.39Å
84T68.5Low67.7Low73 Ų7394.5 Ų94.545%0.44846%0.462SS..Hα-helixtrans-62.9-36175.8-54.40000112.1I80 Q82 S88I80-T84 PolarHBondContact O-N 3.29Å; I80-T84 PolarHBondContact O-OG1 3.28Å; Q82-T84 PolarHBondContact O-N 3.45Å; T84-S88 VanDerWaalsContact O-CB 3.29Å; T84-S88 WeakPolarHBondContact O-CB 3.47Å; T84-S88 PolarHBondContact O-N 2.96Å
85R65.7Low66.5Low161 Ų16194 Ų9461%0.60847%0.467SS*.Hα-helixtrans-67.6-42.7174.4179.6-177.2-90167.1-9.9111K81 Q82 N83 S88 I89K81-R85 PolarHBondContact O-N 3.07Å; K81-R85 VanDerWaalsContact O-N 3.17Å; Q82-R85 WeakPolarHBondContact O-CB 3.13Å; Q82-R85 PolarHBondContact O-N 3.41Å; Q82-R85 VanDerWaalsContact O-N 3.11Å; N83-R85 VanDerWaalsContact C-N 3.29Å; N83-R85 PolarHBondContact O-N 3.26Å; R85-S88 PolarHBondContact O-N 3.29Å; R85-I89 HydrophobicContact CG-CD1 4.02Å; R85-I89 WeakPolarHBondContact O-CD1 3.45Å; R85-I89 VanDerWaalsContact O-CG1 3.24Å; R85-I89 WeakPolarHBondContact O-CG1 3.36Å; R85-I89 PolarHBondContact O-N 3.35Å
86E61.6Low65.5Low104 Ų10496.1 Ų96.149%0.48647%0.473SS..Hα-helixtrans-66.7-43.4178.7-72.6174.7-167.900112.3Q82 N83 S88 I89 L90Q82-E86 WeakPolarHBondContact CG-OE1 3.37Å; Q82-E86 PolarHBondContact NE2-OE1 3.43Å; Q82-E86 WeakPolarHBondContact O-CG 3.48Å; Q82-E86 PolarHBondContact O-N 3.23Å; N83-E86 PolarHBondContact O-N 2.95Å; E86-S88 PolarHBondContact O-N 3.02Å; E86-I89 PolarHBondContact O-N 3.1Å; E86-L90 WeakPolarHBondContact O-CB 3.38Å; E86-L90 PolarHBondContact O-N 3.08Å
87E59.2Low64.3Low133 Ų13396.5 Ų96.562%0.62148%0.478SS*.Hα-helixtrans-61.2-43.3173.8-76176.8176.400111.7N83 I89 L90 D91N83-E87 WeakPolarHBondContact O-CB 3.35Å; N83-E87 WeakPolarHBondContact O-CG 3.49Å; N83-E87 PolarHBondContact O-N 3.39Å; E87-I89 VanDerWaalsContact C-N 3.33Å; E87-I89 PolarHBondContact O-N 3.23Å; E87-L90 WeakPolarHBondContact O-CB 3.35Å; E87-L90 PolarHBondContact O-N 3.43Å; E87-D91 PolarHBondContact O-N 2.9Å
88S62.7Low63.5Low65 Ų65100.9 Ų100.946%0.45550%0.503SS..Hα-helixtrans-61.5-40175.3176.60000112.2T84 R85 E86 M92T84-S88 VanDerWaalsContact O-CB 3.29Å; T84-S88 WeakPolarHBondContact O-CB 3.47Å; T84-S88 PolarHBondContact O-N 2.96Å; R85-S88 PolarHBondContact O-N 3.29Å; E86-S88 PolarHBondContact O-N 3.02Å; S88-M92 WeakPolarHBondContact O-CG 3.43Å; S88-M92 PolarHBondContact O-N 3.41Å; S88-M92 VanDerWaalsContact O-N 3.08Å
89I61.1Low62.4Low78 Ų7899.9 Ų99.940%0.451%0.506SS..Hα-helixtrans-66.8-40.3175.1-68164.2000111R85 E86 E87 D91 M92 N93R85-I89 HydrophobicContact CG-CD1 4.02Å; R85-I89 WeakPolarHBondContact O-CD1 3.45Å; R85-I89 VanDerWaalsContact O-CG1 3.24Å; R85-I89 WeakPolarHBondContact O-CG1 3.36Å; R85-I89 PolarHBondContact O-N 3.35Å; E86-I89 PolarHBondContact O-N 3.1Å; E87-I89 VanDerWaalsContact C-N 3.33Å; E87-I89 PolarHBondContact O-N 3.23Å; I89-D91 VanDerWaalsContact C-N 3.34Å; I89-D91 PolarHBondContact O-N 3.46Å; I89-M92 HydrophobicContact CB-CE 4.46Å; I89-M92 HydrophobicContact CG1-CE 4.03Å; I89-M92 PolarHBondContact O-N 3.23Å; I89-N93 WeakPolarHBondContact O-CB 3.3Å; I89-N93 VanDerWaalsContact O-CG 3.26Å; I89-N93 PolarHBondContact O-N 3Å; I89-N93 PolarHBondContact O-ND2 3.44Å
90L54.4Low61.4Low103 Ų10398.6 Ų98.654%0.53950%0.501SS..Hα-helixtrans-62.5-41.8177.9-16580.6000111.7E86 E87 N93 K94E86-L90 WeakPolarHBondContact O-CB 3.38Å; E86-L90 PolarHBondContact O-N 3.08Å; E87-L90 WeakPolarHBondContact O-CB 3.35Å; E87-L90 PolarHBondContact O-N 3.43Å; L90-N93 PolarHBondContact O-N 2.78Å; L90-K94 PolarHBondContact O-N 2.91Å
91D59.4Low60.7Low104 Ų104100.6 Ų100.656%0.55651%0.513SS*.Hα-helixtrans-69.7-40.2179.5-163.146000112.4E87 I89 N93 K94 T95E87-D91 PolarHBondContact O-N 2.9Å; I89-D91 VanDerWaalsContact C-N 3.34Å; I89-D91 PolarHBondContact O-N 3.46Å; D91-N93 VanDerWaalsContact C-N 3.32Å; D91-N93 PolarHBondContact O-N 3.42Å; D91-K94 PolarHBondContact O-N 3.04Å; D91-T95 PolarHBondContact O-N 3.35Å; D91-T95 PolarHBondContact O-OG1 3.07Å
92M54.8Low60.4Low101 Ų101100.5 Ų100.550%0.49852%0.516SS..Hα-helixtrans-59.2-43.4170.1-74.3-172.3-68.500111.6S88 I89 T95 L96S88-M92 WeakPolarHBondContact O-CG 3.43Å; S88-M92 PolarHBondContact O-N 3.41Å; S88-M92 VanDerWaalsContact O-N 3.08Å; I89-M92 HydrophobicContact CB-CE 4.46Å; I89-M92 HydrophobicContact CG1-CE 4.03Å; I89-M92 PolarHBondContact O-N 3.23Å; M92-T95 PolarHBondContact O-N 2.9Å; M92-L96 WeakPolarHBondContact O-CB 3.41Å; M92-L96 WeakPolarHBondContact O-CG 3.45Å; M92-L96 PolarHBondContact O-N 3Å
93N54.5Low60.4Low80 Ų80102 Ų10243%0.42852%0.523SS..Hα-helixtrans-66.4-37.9178.6-74.8-24.3000112.7I89 L90 D91 N97I89-N93 WeakPolarHBondContact O-CB 3.3Å; I89-N93 VanDerWaalsContact O-CG 3.26Å; I89-N93 PolarHBondContact O-N 3Å; I89-N93 PolarHBondContact O-ND2 3.44Å; L90-N93 PolarHBondContact O-N 2.78Å; D91-N93 VanDerWaalsContact C-N 3.32Å; D91-N93 PolarHBondContact O-N 3.42Å; N93-N97 WeakPolarHBondContact O-CB 3.47Å; N93-N97 PolarHBondContact O-N 3.06Å; N93-N97 PolarHBondContact O-ND2 3.01Å
94K61.8Low60.6Low126 Ų126102.7 Ų102.755%0.54852%0.524SS..Hα-helixtrans-62.2-44.9173.3-78.9-179.1179.4177.90111.6L90 D91 N97 N98L90-K94 PolarHBondContact O-N 2.91Å; D91-K94 PolarHBondContact O-N 3.04Å; K94-N97 PolarHBondContact O-N 3.41Å; K94-N98 PolarHBondContact O-N 3.43Å
95T58.1Low60.8Low89 Ų89103.9 Ų103.955%0.54653%0.527SS..Hα-helixtrans-63.9-43.2179.5-54.30000111.4D91 M92 S99D91-T95 PolarHBondContact O-N 3.35Å; D91-T95 PolarHBondContact O-OG1 3.07Å; M92-T95 PolarHBondContact O-N 2.9Å; T95-S99 WeakPolarHBondContact O-CB 3.42Å; T95-S99 PolarHBondContact O-N 3.4Å
96L55.2Low61.2Low110 Ų110101.7 Ų101.758%0.57652%0.524SS*.Hα-helixtrans-64-45.3176.5-76.6168.5000112.4M92 N98 S99 F100M92-L96 WeakPolarHBondContact O-CB 3.41Å; M92-L96 WeakPolarHBondContact O-CG 3.45Å; M92-L96 PolarHBondContact O-N 3Å; L96-N98 PolarHBondContact O-N 3.13Å; L96-S99 PolarHBondContact O-N 3.3Å; L96-F100 WeakPolarHBondContact O-CB 3.22Å; L96-F100 PolarHBondContact O-N 2.88Å
97N53.7Low62Low104 Ų104100.8 Ų100.856%0.55652%0.52SS*.Hα-helixtrans-64.3-39.4179.7-77.7-17000112.3N93 K94 N101N93-N97 WeakPolarHBondContact O-CB 3.47Å; N93-N97 PolarHBondContact O-N 3.06Å; N93-N97 PolarHBondContact O-ND2 3.01Å; K94-N97 PolarHBondContact O-N 3.41Å; N97-N101 WeakPolarHBondContact O-CB 3.48Å; N97-N101 PolarHBondContact O-N 2.98Å; N97-N101 VanDerWaalsContact O-N 3.12Å
98N58.2Low63Low120 Ų12098.2 Ų98.264%0.64251%0.513SS*.Hα-helixtrans-67.4-41.2176.2-72.3-11.8000111.9K94 L96 N102K94-N98 PolarHBondContact O-N 3.43Å; L96-N98 PolarHBondContact O-N 3.13Å; N98-N102 VanDerWaalsContact O-CB 3.22Å; N98-N102 WeakPolarHBondContact O-CB 3.31Å; N98-N102 PolarHBondContact O-N 3.02Å
99S55Low63.8Low73 Ų7399.5 Ų99.551%0.5151%0.513SS..Hα-helixtrans-64-46176.8179.10000112T95 L96 Q103T95-S99 WeakPolarHBondContact O-CB 3.42Å; T95-S99 PolarHBondContact O-N 3.4Å; L96-S99 PolarHBondContact O-N 3.3Å; S99-Q103 PolarHBondContact O-N 3.25Å; S99-Q103 VanDerWaalsContact O-N 3.11Å
100F54.7Low65Low119 Ų119102.6 Ų102.652%0.52252%0.524SS..Hα-helixtrans-69.8-48.1-173.8-163.9-94.7000111.6L96 N102 Q103 E104L96-F100 WeakPolarHBondContact O-CB 3.22Å; L96-F100 PolarHBondContact O-N 2.88Å; F100-N102 VanDerWaalsContact C-N 3.3Å; F100-N102 PolarHBondContact O-N 3.5Å; F100-Q103 PolarHBondContact O-N 3.11Å; F100-E104 HydrophobicContact CD1-CG 4.39Å; F100-E104 VanDerWaalsContact CE1-CD 3.44Å; F100-E104 HydrophobicContact CE1-CG 4.07Å; F100-E104 WeakPolarHBondContact CE1-OE1 3.41Å; F100-E104 PolarHBondContact O-N 2.94Å; F100-E104 VanDerWaalsContact O-N 3.08Å
101N60.3Low66.4Low106 Ų106104.8 Ų104.857%0.56753%0.525SS*.Hα-helixtrans-61.9-37.6177.5-80.3-15.4000112.2N97 L105N97-N101 WeakPolarHBondContact O-CB 3.48Å; N97-N101 PolarHBondContact O-N 2.98Å; N97-N101 VanDerWaalsContact O-N 3.12Å; N101-L105 VanDerWaalsContact O-CB 3.26Å; N101-L105 WeakPolarHBondContact O-CB 3.49Å; N101-L105 PolarHBondContact O-N 2.92Å
102N68Low67.8Low93 Ų93103.1 Ų103.150%0.49752%0.519SS..Hα-helixtrans-69.9-37.6179.5-158.3-6.8000111.4N98 F100 L105 Q106N98-N102 VanDerWaalsContact O-CB 3.22Å; N98-N102 WeakPolarHBondContact O-CB 3.31Å; N98-N102 PolarHBondContact O-N 3.02Å; F100-N102 VanDerWaalsContact C-N 3.3Å; F100-N102 PolarHBondContact O-N 3.5Å; N102-L105 PolarHBondContact O-N 3.32Å; N102-Q106 WeakPolarHBondContact O-CB 3.49Å; N102-Q106 WeakPolarHBondContact O-CG 3.41Å; N102-Q106 PolarHBondContact O-N 2.97Å
103Q71.9Confident69.3Low113 Ų113104.9 Ų104.953%0.52852%0.524SS..Hα-helixtrans-68.2-41.8177.7-168179.3-4.100112.7S99 F100 Q107S99-Q103 PolarHBondContact O-N 3.25Å; S99-Q103 VanDerWaalsContact O-N 3.11Å; F100-Q103 PolarHBondContact O-N 3.11Å; Q103-Q107 WeakPolarHBondContact O-CG 3.47Å; Q103-Q107 PolarHBondContact O-N 3.21Å; Q103-Q107 VanDerWaalsContact O-N 3.09Å
104E73.4Confident70.7Confident101 Ų101106.6 Ų106.647%0.47253%0.529SS..Hα-helixtrans-64.6-44.4175.2-72.1-167.5154.300111.6F100 Q106 Q107 V108F100-E104 HydrophobicContact CD1-CG 4.39Å; F100-E104 VanDerWaalsContact CE1-CD 3.44Å; F100-E104 HydrophobicContact CE1-CG 4.07Å; F100-E104 WeakPolarHBondContact CE1-OE1 3.41Å; F100-E104 PolarHBondContact O-N 2.94Å; F100-E104 VanDerWaalsContact O-N 3.08Å; E104-Q106 PolarHBondContact O-N 3.45Å; E104-Q107 PolarHBondContact O-N 3.01Å; E104-V108 WeakPolarHBondContact O-CG2 3.49Å; E104-V108 PolarHBondContact O-N 3.47Å
105L72.9Confident71.9Confident99 Ų99105.1 Ų105.152%0.51853%0.526SS..Hα-helixtrans-60.7-44.5177.3-175.763.3000111.6N101 N102 Q107 V108 I109N101-L105 VanDerWaalsContact O-CB 3.26Å; N101-L105 WeakPolarHBondContact O-CB 3.49Å; N101-L105 PolarHBondContact O-N 2.92Å; N102-L105 PolarHBondContact O-N 3.32Å; L105-Q107 VanDerWaalsContact C-N 3.31Å; L105-Q107 PolarHBondContact O-N 2.99Å; L105-V108 PolarHBondContact O-N 3.47Å; L105-V108 VanDerWaalsContact O-N 3.17Å; L105-I109 HydrophobicContact CD1-CD1 4.34Å; L105-I109 HydrophobicContact CD1-CG1 4.5Å; L105-I109 HydrophobicContact CG-CD1 3.93Å; L105-I109 HydrophobicContact CG-CG1 4.49Å; L105-I109 VanDerWaalsContact O-CG1 3.3Å; L105-I109 WeakPolarHBondContact O-CG1 3.37Å; L105-I109 PolarHBondContact O-N 3.33Å
106Q74.5Confident73.1Confident114 Ų114105.5 Ų105.553%0.53353%0.525SS..Hα-helixtrans-59.5-40.2175.3-76.1-74.8-8.500112.3N102 E104 K110N102-Q106 WeakPolarHBondContact O-CB 3.49Å; N102-Q106 WeakPolarHBondContact O-CG 3.41Å; N102-Q106 PolarHBondContact O-N 2.97Å; E104-Q106 PolarHBondContact O-N 3.45Å; Q106-K110 VanDerWaalsContact O-CB 3.29Å; Q106-K110 WeakPolarHBondContact O-CB 3.39Å; Q106-K110 PolarHBondContact O-N 3.21Å
107Q78.6Confident74.3Confident86 Ų86103.8 Ų103.840%0.40252%0.516SS..Hα-helixtrans-66.2-40.7175-73-177.238.800112.3Q103 E104 L105 K110 R111Q103-Q107 WeakPolarHBondContact O-CG 3.47Å; Q103-Q107 PolarHBondContact O-N 3.21Å; Q103-Q107 VanDerWaalsContact O-N 3.09Å; E104-Q107 PolarHBondContact O-N 3.01Å; L105-Q107 VanDerWaalsContact C-N 3.31Å; L105-Q107 PolarHBondContact O-N 2.99Å; Q107-K110 PolarHBondContact O-N 3.07Å; Q107-R111 WeakPolarHBondContact O-CB 3.43Å; Q107-R111 WeakPolarHBondContact O-CG 3.32Å; Q107-R111 PolarHBondContact O-N 3.18Å
108V79.1Confident75.3Confident78 Ų78101 Ų10147%0.47351%0.507SS..Hα-helixtrans-64.4-45.7176.7172.30000110.8E104 L105 K110 R111 T112E104-V108 WeakPolarHBondContact O-CG2 3.49Å; E104-V108 PolarHBondContact O-N 3.47Å; L105-V108 PolarHBondContact O-N 3.47Å; L105-V108 VanDerWaalsContact O-N 3.17Å; V108-K110 PolarHBondContact O-N 3.18Å; V108-R111 PolarHBondContact O-N 3.49Å; V108-T112 WeakPolarHBondContact O-CB 3.5Å; V108-T112 PolarHBondContact O-N 2.98Å; V108-T112 PolarHBondContact O-OG1 2.78Å
109I79.7Confident76.2Confident92 Ų92100.2 Ų100.247%0.47250%0.5SS..Hα-helixtrans-59-48.3176.1-69.1167.4000110.1L105 R111 T112 K113L105-I109 HydrophobicContact CD1-CD1 4.34Å; L105-I109 HydrophobicContact CD1-CG1 4.5Å; L105-I109 HydrophobicContact CG-CD1 3.93Å; L105-I109 HydrophobicContact CG-CG1 4.49Å; L105-I109 VanDerWaalsContact O-CG1 3.3Å; L105-I109 WeakPolarHBondContact O-CG1 3.37Å; L105-I109 PolarHBondContact O-N 3.33Å; I109-R111 PolarHBondContact O-N 3.27Å; I109-T112 PolarHBondContact O-N 2.93Å; I109-K113 PolarHBondContact O-N 3.15Å
110K87.8Confident77.1Confident143 Ų143101.3 Ų101.362%0.62250%0.497SS*.Hα-helixtrans-59.1-45.8178.6-174.2176.6-178.5177.30112.3Q106 Q107 V108 K113 Q114Q106-K110 VanDerWaalsContact O-CB 3.29Å; Q106-K110 WeakPolarHBondContact O-CB 3.39Å; Q106-K110 PolarHBondContact O-N 3.21Å; Q107-K110 PolarHBondContact O-N 3.07Å; V108-K110 PolarHBondContact O-N 3.18Å; K110-K113 PolarHBondContact O-N 3.04Å; K110-Q114 WeakPolarHBondContact O-CG 3.37Å; K110-Q114 PolarHBondContact O-N 3.41Å
111R83.9Confident77.7Confident150 Ų150101 Ų10157%0.56650%0.499SS*.Hα-helixtrans-64.3-42.5176.6-76.9-177.6-176.7145.25.2112Q107 V108 I109 K113 Q114 I115Q107-R111 WeakPolarHBondContact O-CB 3.43Å; Q107-R111 WeakPolarHBondContact O-CG 3.32Å; Q107-R111 PolarHBondContact O-N 3.18Å; V108-R111 PolarHBondContact O-N 3.49Å; I109-R111 PolarHBondContact O-N 3.27Å; R111-K113 VanDerWaalsContact C-N 3.33Å; R111-K113 PolarHBondContact O-N 2.72Å; R111-Q114 PolarHBondContact O-N 3.46Å; R111-I115 WeakPolarHBondContact O-CG1 3.41Å; R111-I115 PolarHBondContact O-N 3.34Å
112T87.2Confident78.1Confident69 Ų6999.5 Ų99.542%0.42349%0.494SS..Hα-helixtrans-62.7-43.2-180-54.70000110.6V108 I109 Q114 I115 L116V108-T112 WeakPolarHBondContact O-CB 3.5Å; V108-T112 PolarHBondContact O-N 2.98Å; V108-T112 PolarHBondContact O-OG1 2.78Å; I109-T112 PolarHBondContact O-N 2.93Å; T112-Q114 PolarHBondContact O-N 3.27Å; T112-I115 PolarHBondContact O-N 2.91Å; T112-L116 HydrophobicContact CG2-CD1 4.24Å; T112-L116 WeakPolarHBondContact O-CG 3.26Å; T112-L116 PolarHBondContact O-N 2.94Å
113K87.2Confident77.7Confident138 Ų138100.7 Ų100.760%0.650%0.5SS*.Hα-helixtrans-58.5-46.7174.7-171.6171-178.11720112.1I109 K110 R111 I115 L116 D117I109-K113 PolarHBondContact O-N 3.15Å; K110-K113 PolarHBondContact O-N 3.04Å; R111-K113 VanDerWaalsContact C-N 3.33Å; R111-K113 PolarHBondContact O-N 2.72Å; K113-I115 VanDerWaalsContact C-N 3.29Å; K113-I115 PolarHBondContact O-N 2.85Å; K113-L116 PolarHBondContact O-N 2.94Å; K113-D117 VanDerWaalsContact O-CG 3.23Å; K113-D117 PolarHBondContact O-N 3.46Å
114Q84.6Confident77.6Confident116 Ų116102.7 Ų102.754%0.54251%0.507SS..Hα-helixtrans-60.6-36.8176.9-71.2176-29.700113.3K110 R111 T112 A118K110-Q114 WeakPolarHBondContact O-CG 3.37Å; K110-Q114 PolarHBondContact O-N 3.41Å; R111-Q114 PolarHBondContact O-N 3.46Å; T112-Q114 PolarHBondContact O-N 3.27Å; Q114-A118 WeakPolarHBondContact O-CB 3.47Å; Q114-A118 PolarHBondContact O-N 2.95Å; Q114-A118 VanDerWaalsContact O-N 3.16Å
115I85.5Confident77.1Confident94 Ų94102 Ų10248%0.48251%0.514SS..Hα-helixtrans-68.1-44176.8-67.9165000110.4R111 T112 K113 A118 Q119R111-I115 WeakPolarHBondContact O-CG1 3.41Å; R111-I115 PolarHBondContact O-N 3.34Å; T112-I115 PolarHBondContact O-N 2.91Å; K113-I115 VanDerWaalsContact C-N 3.29Å; K113-I115 PolarHBondContact O-N 2.85Å; I115-A118 PolarHBondContact O-N 3.17Å; I115-Q119 WeakPolarHBondContact O-CG 3.43Å; I115-Q119 PolarHBondContact O-N 3.44Å
116L82.9Confident76.5Confident98 Ų98101.4 Ų101.451%0.51351%0.51SS..Hα-helixtrans-62.4-45.9178.1-70.5170.9000111.5T112 K113 A118 Q119 E120T112-L116 HydrophobicContact CG2-CD1 4.24Å; T112-L116 WeakPolarHBondContact O-CG 3.26Å; T112-L116 PolarHBondContact O-N 2.94Å; K113-L116 PolarHBondContact O-N 2.94Å; L116-A118 VanDerWaalsContact C-N 3.29Å; L116-A118 PolarHBondContact O-N 3.24Å; L116-Q119 WeakPolarHBondContact O-CB 3.48Å; L116-Q119 PolarHBondContact O-N 3.38Å; L116-Q119 VanDerWaalsContact O-N 3.13Å; L116-E120 PolarHBondContact O-N 3.41Å
117D81Confident75.4Confident73 Ų73100.1 Ų100.139%0.3951%0.513SS..Hα-helixtrans-59-41.8176.9-64-16.9000111.1K113 E120 I121K113-D117 VanDerWaalsContact O-CG 3.23Å; K113-D117 PolarHBondContact O-N 3.46Å; D117-E120 PolarHBondContact O-N 3.23Å; D117-I121 WeakPolarHBondContact O-CG1 3.26Å; D117-I121 PolarHBondContact O-N 3.12Å; D117-I121 VanDerWaalsContact O-N 3.09Å
118A74.1Confident74Confident45 Ų45103.4 Ų103.437%0.37253%0.527SS..Hα-helixtrans-66.8-37.117700000113Q114 I115 L116 T122Q114-A118 WeakPolarHBondContact O-CB 3.47Å; Q114-A118 PolarHBondContact O-N 2.95Å; Q114-A118 VanDerWaalsContact O-N 3.16Å; I115-A118 PolarHBondContact O-N 3.17Å; L116-A118 VanDerWaalsContact C-N 3.29Å; L116-A118 PolarHBondContact O-N 3.24Å; A118-T122 PolarHBondContact O-N 3.35Å; A118-T122 VanDerWaalsContact O-N 3.11Å; A118-T122 PolarHBondContact O-OG1 3.25Å
119Q77.6Confident72.4Confident105 Ų105106 Ų10649%0.49154%0.537SS..Hα-helixtrans-67.5-40.8174.6-74.7177.3-24.300111.6I115 L116 I121 T122 L123I115-Q119 WeakPolarHBondContact O-CG 3.43Å; I115-Q119 PolarHBondContact O-N 3.44Å; L116-Q119 WeakPolarHBondContact O-CB 3.48Å; L116-Q119 PolarHBondContact O-N 3.38Å; L116-Q119 VanDerWaalsContact O-N 3.13Å; Q119-I121 PolarHBondContact O-N 3.09Å; Q119-T122 WeakPolarHBondContact O-CB 3.48Å; Q119-T122 PolarHBondContact O-N 3.36Å; Q119-L123 WeakPolarHBondContact O-CG 3.27Å; Q119-L123 PolarHBondContact O-N 2.92Å
120E73.5Confident70.6Confident95 Ų95107.1 Ų107.144%0.44455%0.545SS..Hα-helixtrans-60.7-45.5176.2-171.5-173.1173.900111.4L116 D117 T122 L123 K124L116-E120 PolarHBondContact O-N 3.41Å; D117-E120 PolarHBondContact O-N 3.23Å; E120-T122 VanDerWaalsContact C-N 3.29Å; E120-T122 PolarHBondContact O-N 2.93Å; E120-L123 PolarHBondContact O-N 3.33Å; E120-K124 HydrophobicContact CG-CD 4.38Å; E120-K124 WeakPolarHBondContact O-CG 3.38Å; E120-K124 PolarHBondContact O-N 3.02Å; E120-K124 WeakPolarHBondContact OE1-CE 2.9Å; E120-K124 IonicContact OE1-NZ 2.62Å; E120-K124 PolarHBondContact OE1-NZ 2.88Å
121I68.9Low68.7Low112 Ų112106.3 Ų106.357%0.57455%0.547SS*.Hα-helixtrans-58.7-43.9174.9-67.2165000110.5D117 Q119 K124 S125D117-I121 WeakPolarHBondContact O-CG1 3.26Å; D117-I121 PolarHBondContact O-N 3.12Å; D117-I121 VanDerWaalsContact O-N 3.09Å; Q119-I121 PolarHBondContact O-N 3.09Å; I121-K124 PolarHBondContact O-N 3.31Å; I121-S125 WeakPolarHBondContact O-CB 3.46Å; I121-S125 PolarHBondContact O-N 3.02Å; I121-S125 PolarHBondContact O-OG 3.33Å
122T67.6Low66.7Low76 Ų76106.3 Ų106.347%0.46656%0.559SS.*Hα-helixtrans-63.7-44.4179.4-54.80000111.2A118 Q119 E120 S125 I126A118-T122 PolarHBondContact O-N 3.35Å; A118-T122 VanDerWaalsContact O-N 3.11Å; A118-T122 PolarHBondContact O-OG1 3.25Å; Q119-T122 WeakPolarHBondContact O-CB 3.48Å; Q119-T122 PolarHBondContact O-N 3.36Å; E120-T122 VanDerWaalsContact C-N 3.29Å; E120-T122 PolarHBondContact O-N 2.93Å; T122-S125 WeakPolarHBondContact O-CB 3.33Å; T122-S125 PolarHBondContact O-N 2.97Å; T122-I126 WeakPolarHBondContact O-CG1 3.49Å; T122-I126 PolarHBondContact O-N 3.07Å; T122-I126 VanDerWaalsContact O-N 3.1Å
123L59.8Low64.8Low118 Ų118109.4 Ų109.462%0.61857%0.573SS**Hα-helixtrans-65.2-41.9178-73.4168.6000112.3Q119 E120 S125 I126Q119-L123 WeakPolarHBondContact O-CG 3.27Å; Q119-L123 PolarHBondContact O-N 2.92Å; E120-L123 PolarHBondContact O-N 3.33Å; L123-S125 PolarHBondContact O-N 3.21Å; L123-I126 HydrophobicContact CD2-CD1 4.29Å; L123-I126 WeakPolarHBondContact O-CB 3.43Å; L123-I126 PolarHBondContact O-N 3.09Å; L123-I126 VanDerWaalsContact O-N 3.13Å
124K70.7Confident62.7Low154 Ų154109.9 Ų109.967%0.6758%0.582SS**Hα-helixtrans-63.9-30173.3-73.7179.2-176.6169.70112.6E120 I121 I126E120-K124 HydrophobicContact CG-CD 4.38Å; E120-K124 WeakPolarHBondContact O-CG 3.38Å; E120-K124 PolarHBondContact O-N 3.02Å; E120-K124 WeakPolarHBondContact OE1-CE 2.9Å; E120-K124 IonicContact OE1-NZ 2.62Å; E120-K124 PolarHBondContact OE1-NZ 2.88Å; I121-K124 PolarHBondContact O-N 3.31Å; K124-I126 VanDerWaalsContact C-N 3.3Å
125S62.1Low60.9Low88 Ų88113.1 Ų113.162%0.61560%0.597SS**Hα-helixtrans-75.4-21.3176.3-54.10000112.6I121 T122 L123 S127I121-S125 WeakPolarHBondContact O-CB 3.46Å; I121-S125 PolarHBondContact O-N 3.02Å; I121-S125 PolarHBondContact O-OG 3.33Å; T122-S125 WeakPolarHBondContact O-CB 3.33Å; T122-S125 PolarHBondContact O-N 2.97Å; L123-S125 PolarHBondContact O-N 3.21Å; S125-S127 PolarHBondContact O-N 3.47Å
126I60.1Low58.7Low86 Ų86119.3 Ų119.344%0.44162%0.616SS.*SBendtrans-73.778.1167.2-59.7164000106.5T122 L123 K124 F128T122-I126 WeakPolarHBondContact O-CG1 3.49Å; T122-I126 PolarHBondContact O-N 3.07Å; T122-I126 VanDerWaalsContact O-N 3.1Å; L123-I126 HydrophobicContact CD2-CD1 4.29Å; L123-I126 WeakPolarHBondContact O-CB 3.43Å; L123-I126 PolarHBondContact O-N 3.09Å; L123-I126 VanDerWaalsContact O-N 3.13Å; K124-I126 VanDerWaalsContact C-N 3.3Å; I126-F128 HydrophobicContact CG2-CE2 4.33Å; I126-F128 HydrophobicContact CG2-CZ 4.31Å; I126-F128 PolarHBondContact O-N 3.01Å
127S50.4Low56.8Low86 Ų86121.9 Ų121.960%0.60163%0.63SS**  trans-55.4102.7161.7164.50000107.1S125 N129S125-S127 PolarHBondContact O-N 3.47Å; S127-N129 PolarHBondContact O-N 3.28Å
128F50.8Low55Low156 Ų156124.2 Ų124.268%0.68465%0.652SS**  trans-6497.2161.7-69.1-84000106I126 N130I126-F128 HydrophobicContact CG2-CE2 4.33Å; I126-F128 HydrophobicContact CG2-CZ 4.31Å; I126-F128 PolarHBondContact O-N 3.01Å; F128-N130 PolarHBondContact O-N 3Å
129N44.9Very low53.7Low131 Ų131127.1 Ų127.170%0.70167%0.665SS**  trans-64.468.9159.4-99.92.4000107.3S127 N131S127-N129 PolarHBondContact O-N 3.28Å; N129-N131 PolarHBondContact O-N 3.17Å
130N42.7Very low52Low116 Ų116128.7 Ų128.762%0.6268%0.676SS**  trans-90.758.2160.1-62.8-15.6000105.6F128 D132F128-N130 PolarHBondContact O-N 3Å; N130-D132 VanDerWaalsContact C-N 3.34Å; N130-D132 PolarHBondContact O-N 3.2Å
131N46.7Very low50.5Low126 Ų126131.5 Ų131.567%0.67469%0.694SS**  trans-76.5105157.7-77.8-17.4000104.5N129 D133N129-N131 PolarHBondContact O-N 3.17Å; N131-D133 PolarHBondContact O-N 2.96Å
132D43Very low49.2Very low151 Ų151131.3 Ų131.381%0.80770%0.695SS**  trans-63.636.9171.3-75.2-39.8000112.6N130N130-D132 VanDerWaalsContact C-N 3.34Å; N130-D132 PolarHBondContact O-N 3.2Å
133D45.9Very low48Very low134 Ų134135.1 Ų135.172%0.71771%0.709SS**  trans-118.195.2-179.2-72.7-32.3000108.3N131N131-D133 PolarHBondContact O-N 2.96Å
134D44.8Very low47.4Very low148 Ų148135.9 Ų135.979%0.79171%0.708SS**  trans29.5130.1133.3-59.2-31.2000117.6
135E45.5Very low46.1Very low184 Ų184136 Ų13686%0.8671%0.71SS**  trans94.588.4152.7-143.6165.3-155.200116.3
136Y39.1Very low45.3Very low224 Ų224138.6 Ų138.688%0.87871%0.712SS**  trans29.5103.1142.5-73.7-92.2000117.9
137D44.1Very low44.8Very low151 Ų151140.8 Ų140.881%0.80772%0.721SS**  -155.1127.1118.3-116.2-20.6000110.4V139D137-V139 HydrophobicContact CB-CG2 4.28Å; D137-V139 PolarHBondContact O-N 3.31Å
138S41.5Very low44.7Very low122 Ų122142 Ų14285%0.85372%0.72SS**  trans-67.171.7174.4162.50000109.3D140S138-D140 PolarHBondContact O-N 3.35Å
139V47.7Very low44.3Very low107 Ų107142.1 Ų142.165%0.64872%0.717SS**  trans-82.6105.1170.2-171.90000106.8D137 N141D137-V139 HydrophobicContact CB-CG2 4.28Å; D137-V139 PolarHBondContact O-N 3.31Å; V139-N141 PolarHBondContact O-N 3.4Å
140D41.9Very low44.4Very low137 Ų137143.2 Ų143.273%0.73372%0.715SS**  trans-30.774.9166.8-131.5-14.8000112.9S138 N142S138-D140 PolarHBondContact O-N 3.35Å; D140-N142 PolarHBondContact O-N 2.96Å
141N41.2Very low44.4Very low154 Ų154143.2 Ų143.282%0.82472%0.715SS**  trans-75.146.7168.9-84.5-24.8000109.4V139 M143V139-N141 PolarHBondContact O-N 3.4Å; N141-M143 PolarHBondContact O-N 3.49Å
142N43.5Very low44.2Very low109 Ų109140.9 Ų140.958%0.58371%0.709SS**  trans-94.645.8167.5-1546.5000108.4D140 K144D140-N142 PolarHBondContact O-N 2.96Å; N142-K144 WeakPolarHBondContact O-CG 3.18Å; N142-K144 PolarHBondContact O-N 3.37Å
143M41.9Very low44.2Very low156 Ų156140.2 Ų140.277%0.76870%0.699SS**  trans-64.991.2160.4-174.6148.94000105.2N141 H145N141-M143 PolarHBondContact O-N 3.49Å; M143-H145 PolarHBondContact O-N 3.46Å
144K46.6Very low44Very low134 Ų134139.2 Ų139.258%0.58369%0.692SS**  trans-47.9124.1-165.5-65.9178.3179.7177.60108.4N142 E146 E147N142-K144 WeakPolarHBondContact O-CG 3.18Å; N142-K144 PolarHBondContact O-N 3.37Å; K144-E146 HydrophobicContact CB-CB 4.29Å; K144-E146 PolarHBondContact O-N 3.49Å; K144-E147 PolarHBondContact O-N 2.92Å
145H43.1Very low43.6Very low155 Ų155139.3 Ų139.372%0.71869%0.693SS**Hα-helixtrans-45.9-16.7172.9-137.9-60000113.9M143 Y149M143-H145 PolarHBondContact O-N 3.46Å; H145-Y149 PolarHBondContact O-N 3.01Å
146E46.6Very low43.2Very low143 Ų143139.4 Ų139.467%0.66869%0.69SS**Hα-helixtrans-67.4-29175.5-163.2142.5-155.900114.9K144 Y149 K150K144-E146 HydrophobicContact CB-CB 4.29Å; K144-E146 PolarHBondContact O-N 3.49Å; E146-Y149 PolarHBondContact O-N 3.41Å; E146-K150 PolarHBondContact O-N 3.46Å
147E49Very low43Very low133 Ų133134.8 Ų134.862%0.62169%0.686SS**Hα-helixtrans-74.9-35.6174.4-71.8-163.6172.500112.3K144 Y149 K150 L151K144-E147 PolarHBondContact O-N 2.92Å; E147-Y149 PolarHBondContact O-N 3.49Å; E147-K150 PolarHBondContact O-N 3.49Å; E147-K150 VanDerWaalsContact O-N 3.1Å; E147-L151 PolarHBondContact O-N 3Å
148L47.3Very low42.5Very low110 Ų110137.3 Ų137.358%0.57668%0.684SS**Hα-helixtrans-62.7-34.1172.5-73172.8000111.6K150 L151L148-K150 VanDerWaalsContact C-N 3.29Å; L148-K150 PolarHBondContact O-N 2.91Å; L148-L151 PolarHBondContact O-N 3.1Å
149Y44.4Very low42.1Very low160 Ų160139.2 Ų139.263%0.62768%0.683SS**Hα-helixtrans-69.4-25.1176.1-145.2-96.1000112.9H145 E146 E147 S152 F153H145-Y149 PolarHBondContact O-N 3.01Å; E146-Y149 PolarHBondContact O-N 3.41Å; E147-Y149 PolarHBondContact O-N 3.49Å; Y149-S152 PolarHBondContact O-OG 3.22Å; Y149-F153 AromaticContact CD1-CE2 3.86Å; Y149-F153 HydrophobicContact CD1-CE2 3.86Å; Y149-F153 AromaticContact CE1-CE2 3.67Å; Y149-F153 HydrophobicContact CE1-CE2 3.67Å; Y149-F153 HydrophobicContact CE1-CZ 4.35Å; Y149-F153 WeakPolarHBondContact O-CD2 3.24Å
150K46Very low41.4Very low153 Ų153140.4 Ų140.467%0.66568%0.681SS**Hα-helixtrans-76.4-30.6176.1-78.2179.9179.5174.30113.3E146 E147 L148 S152 F153E146-K150 PolarHBondContact O-N 3.46Å; E147-K150 PolarHBondContact O-N 3.49Å; E147-K150 VanDerWaalsContact O-N 3.1Å; L148-K150 VanDerWaalsContact C-N 3.29Å; L148-K150 PolarHBondContact O-N 2.91Å; K150-S152 VanDerWaalsContact C-N 3.34Å; K150-F153 PolarHBondContact O-N 3.37Å
151L43.2Very low40.9Very low117 Ų117138.6 Ų138.661%0.61368%0.675SS**Hα-helixtrans-70.2-29.2178.9-85.8155.1000112.9E147 L148 F153 I154E147-L151 PolarHBondContact O-N 3Å; L148-L151 PolarHBondContact O-N 3.1Å; L151-F153 PolarHBondContact O-N 3.34Å; L151-I154 HydrophobicContact CD2-CD1 4.17Å; L151-I154 PolarHBondContact O-N 3.19Å
152S43Very low40.5Very low77 Ų77137.7 Ų137.754%0.53868%0.678SS.*G310 helixtrans-68.6-18.6177.8680000113.6Y149 K150Y149-S152 PolarHBondContact O-OG 3.22Å; K150-S152 VanDerWaalsContact C-N 3.34Å
153F43.2Very low39.9Very low136 Ų136140.2 Ų140.260%0.59669%0.686SS**G310 helixtrans-85.1-4.2179.9-82-85.1000115.1Y149 K150 L151 N155Y149-F153 AromaticContact CD1-CE2 3.86Å; Y149-F153 HydrophobicContact CD1-CE2 3.86Å; Y149-F153 AromaticContact CE1-CE2 3.67Å; Y149-F153 HydrophobicContact CE1-CE2 3.67Å; Y149-F153 HydrophobicContact CE1-CZ 4.35Å; Y149-F153 WeakPolarHBondContact O-CD2 3.24Å; K150-F153 PolarHBondContact O-N 3.37Å; L151-F153 PolarHBondContact O-N 3.34Å; F153-N155 VanDerWaalsContact C-N 3.27Å; F153-N155 PolarHBondContact O-N 3.09Å
154I39.8Very low39.2Very low113 Ų113140.3 Ų140.358%0.57968%0.682SS**G310 helixtrans-74-16.1-176.3-64.3-179.1000112.8L151 K156L151-I154 HydrophobicContact CD2-CD1 4.17Å; L151-I154 PolarHBondContact O-N 3.19Å; I154-K156 PolarHBondContact O-N 2.95Å; I154-K156 VanDerWaalsContact O-N 3.13Å
155N37.9Very low38.5Very low150 Ų150140 Ų14080%0.80269%0.687SS**G310 helixtrans-81.111.7-178.3-73.9-19.2000115.6F153F153-N155 VanDerWaalsContact C-N 3.27Å; F153-N155 PolarHBondContact O-N 3.09Å
156K36Very low37.8Very low186 Ų186136 Ų13681%0.80969%0.687SS**SBendtrans-109.135.9-179-140.5178.9-172.4178.40114.8I154I154-K156 PolarHBondContact O-N 2.95Å; I154-K156 VanDerWaalsContact O-N 3.13Å
157T36.4Very low37.1Very low128 Ų128136.2 Ų136.279%0.78569%0.693SS**  trans-166.5115.4166.632.90000106.2
158R31.8Very low36.2Very low204 Ų204137.1 Ų137.177%0.7770%0.702SS**  -167.8120.878.1-164.5175.2-173.7-172.711.5108.1E160R158-E160 VanDerWaalsContact C-N 3.29Å; R158-E160 HydrophobicContact CB-CG 4.41Å; R158-E160 VanDerWaalsContact CD-OE1 3.22Å; R158-E160 WeakPolarHBondContact CD-OE1 3.42Å; R158-E160 HydrophobicContact CG-CG 3.82Å; R158-E160 IonicContact CZ-OE1 3.95Å; R158-E160 IonicContact NE-OE1 3.09Å; R158-E160 PolarHBondContact NE-OE1 3.04Å; R158-E160 IonicContact NH1-OE1 3.57Å; R158-E160 PolarHBondContact NH1-OE1 3.21Å; R158-E160 PolarHBondContact O-N 3.09Å
159I33Very low35.4Very low161 Ų161139.6 Ų139.683%0.82672%0.716SS**  trans-70.192.4165-62.1165.5000105.1T161I159-T161 HydrophobicContact CG2-CG2 4.39Å; I159-T161 PolarHBondContact O-N 3.15Å
160E34.9Very low34.7Very low133 Ų133140 Ų14062%0.62172%0.724SS**  trans-87.693.7165.4-71.2-171.3174.700107R158R158-E160 VanDerWaalsContact C-N 3.29Å; R158-E160 HydrophobicContact CB-CG 4.41Å; R158-E160 VanDerWaalsContact CD-OE1 3.22Å; R158-E160 WeakPolarHBondContact CD-OE1 3.42Å; R158-E160 HydrophobicContact CG-CG 3.82Å; R158-E160 IonicContact CZ-OE1 3.95Å; R158-E160 IonicContact NE-OE1 3.09Å; R158-E160 PolarHBondContact NE-OE1 3.04Å; R158-E160 IonicContact NH1-OE1 3.57Å; R158-E160 PolarHBondContact NH1-OE1 3.21Å; R158-E160 PolarHBondContact O-N 3.09Å
161T30.8Very low33.9Very low98 Ų98140.1 Ų140.160%0.60173%0.728SS**  trans-52.5133.4162.436.70000109.4I159 Q163I159-T161 HydrophobicContact CG2-CG2 4.39Å; I159-T161 PolarHBondContact O-N 3.15Å; T161-Q163 PolarHBondContact O-N 3.41Å
162P32Very low33.3Very low135 Ų135142.9 Ų142.988%0.87774%0.735SS**  trans-64.5108.8179.3-12.124.5000109.4
163Q30.3Very low32.7Very low162 Ų162145.5 Ų145.576%0.75774%0.743SS**  trans-114.1115.5167.9-93-172.7-55.800110T161T161-Q163 PolarHBondContact O-N 3.41Å
164K28.7Very low32.1Very low158 Ų158148.9 Ų148.969%0.68776%0.758SS**  trans82.4121.9137.9-81.7-179.7147.9-91.10119.9
165D32Very low31.5Very low129 Ų129151.8 Ų151.869%0.6977%0.769SS**  78.3115.9128.4-54.1-19.6000118.5
166G27Very low31.4Very low70 Ų70154 Ų15472%0.72277%0.774SS**  99.1122.3118.800000117.9
167D33.3Very low31Very low147 Ų147151.4 Ų151.479%0.78677%0.77SS**  trans76.693.3147.2-61.6-21.6000119.7
168N29.2Very low30.9Very low153 Ų153152.7 Ų152.782%0.81877%0.772SS**  3195.1115.7-64.9-16.3000116
169N31.3Very low30.9Very low161 Ų161151.8 Ų151.886%0.86177%0.773SS**  trans-129.8101.2147.5-102.1-27.3000109.7M171N169-M171 VanDerWaalsContact C-N 3.3Å; N169-M171 PolarHBondContact O-N 3.33Å
170E29.2Very low30.7Very low169 Ų169150.3 Ų150.379%0.7976%0.763SS**  trans-65.584.5168.2-169.3-175.2179.500108.6
171M29.7Very low30.6Very low155 Ų155152.2 Ų152.276%0.76478%0.777SS**  trans-100.591.4173.4-147.9175.6-17900109.6N169 N173N169-M171 VanDerWaalsContact C-N 3.3Å; N169-M171 PolarHBondContact O-N 3.33Å; M171-N173 PolarHBondContact O-N 3.45Å; M171-N173 VanDerWaalsContact O-N 3.12Å
172K28.9Very low30.7Very low175 Ų175156.1 Ų156.176%0.76178%0.78SS**  trans-58.3105162.8-74.2173.7177.9168.50109
173N32.1Very low30.6Very low133 Ų133158 Ų15871%0.71178%0.775SS**  trans-115.2135.7159.9-78.6-30.1000109.2M171M171-N173 PolarHBondContact O-N 3.45Å; M171-N173 VanDerWaalsContact O-N 3.12Å
174K30.4Very low30.9Very low206 Ų206157.8 Ų157.890%0.89678%0.778SS**  trans-70.2153.2-163.6-73161.2168.3174.90112.5E176K174-E176 PolarHBondContact O-N 3.44Å
175E27.6Very low31.2Very low175 Ų175159.2 Ų159.282%0.81879%0.788SS**  trans-46.4123.4158-72.216612300111.3
176E34Very low31.2Very low195 Ų195161.4 Ų161.491%0.91180%0.799SS**  trans-118.8102.4147.4-88-179.9170.100107K174K174-E176 PolarHBondContact O-N 3.44Å
177N28.3Very low31.8Very low133 Ų133167.3 Ų167.371%0.71181%0.808SS**  trans-74.1119.2162.7-89.7-55.7000107.7
178D33.7Very low31.9Very low155 Ų155168.6 Ų168.683%0.82981%0.809SS**  trans-152.796.6152-93.2-29.4000111.5
179K32.8Very low32.2Very low184 Ų184170.3 Ų170.380%0.882%0.817SS**  trans26.7118134.5-67.2176.6179.3174.20120.4
180E28Very low32.2Very low130 Ų130165.9 Ų165.961%0.60781%0.81SS**  65.3103.4114.2-156.3177.9-169.300119.1R182E180-R182 HydrophobicContact CG-CG 4.35Å; E180-R182 IonicContact OE1-CZ 3.42Å; E180-R182 IonicContact OE1-NE 2.96Å; E180-R182 PolarHBondContact OE1-NE 3.19Å; E180-R182 IonicContact OE1-NH2 2.98Å; E180-R182 PolarHBondContact OE1-NH2 3.39Å
181L33.5Very low32.5Very low174 Ų174164.4 Ų164.491%0.91180%0.803SS**  trans-15880.4146-99.9153000106.9
182R32.8Very low32.6Very low180 Ų180169.3 Ų169.368%0.67981%0.813SS**  38.9108.3102.8-71.6-169.7-170.3-141.10.1115.6E180E180-R182 HydrophobicContact CG-CG 4.35Å; E180-R182 IonicContact OE1-CZ 3.42Å; E180-R182 IonicContact OE1-NE 2.96Å; E180-R182 PolarHBondContact OE1-NE 3.19Å; E180-R182 IonicContact OE1-NH2 2.98Å; E180-R182 PolarHBondContact OE1-NH2 3.39Å
183K30.7Very low33Very low175 Ų175170.8 Ų170.876%0.76181%0.814SS**  trans55.5120.5132.6-57.5-173.5177.3-168.30117
184D35.2Very low33.2Very low156 Ų156173 Ų17383%0.83482%0.82SS**  trans163.269.4131.4-76.2-14.3000110.6
185E34.7Very low33.3Very low189 Ų189171.2 Ų171.288%0.88382%0.819SS**  trans-145.956.4168-69.4-169-179.500111.5
186D33.7Very low33.6Very low174 Ų174169.1 Ų169.193%0.9381%0.813SS**  trans-110.733.9171.1-79.8-34.4000111.9
187E37.9Very low33.5Very low194 Ų194168.5 Ų168.591%0.90781%0.81SS**  trans-128.859.1-173-128.6-179.4-148.600113.5
188E36.6Very low33.9Very low174 Ų174168.6 Ų168.681%0.81381%0.809SS**  trans-148.630.9167.1-131.9-174.5-17500116.6G190E188-G190 VanDerWaalsContact C-N 3.28Å; E188-G190 PolarHBondContact O-N 2.96Å
189L35.7Very low33.7Very low189 Ų189166.8 Ų166.899%0.9980%0.804SS**  trans-88.928174.4-75.8175.5000114.6
190G29.8Very low33.9Very low68 Ų68164.9 Ų164.970%0.70180%0.802SS**  trans-117.424.2-165.900000117.5E188E188-G190 VanDerWaalsContact C-N 3.28Å; E188-G190 PolarHBondContact O-N 2.96Å
191Q35.8Very low34Very low139 Ų139165.1 Ų165.165%0.6581%0.808SS**  trans-137.255.7179.3-62.9-164.34700114.4R193Q191-R193 PolarHBondContact O-N 2.67Å
192R32.3Very low34Very low257 Ų257164 Ų16497%0.9780%0.803SS**  trans-83.981.7159.2-73.9-177176.2-1250.8109.1
193R38.3Very low34.1Very low206 Ų206164.5 Ų164.578%0.77781%0.813SS**  trans-71.1126.8169.1-70.1-175.4-170-147.61.6109.1Q191 I195Q191-R193 PolarHBondContact O-N 2.67Å; R193-I195 PolarHBondContact O-N 2.9Å
194Q34.9Very low34.3Very low180 Ų180162 Ų16284%0.84182%0.817SS**  trans-48.2120.1168-83.2167.8-37.300109.9N196Q194-N196 PolarHBondContact O-N 3.39Å
195I33.1Very low34.3Very low169 Ų169159.4 Ų159.487%0.86781%0.811SS**  trans-78110.6164.6-61.8173.4000105.2R193 E197R193-I195 PolarHBondContact O-N 2.9Å; I195-E197 PolarHBondContact O-N 3.11Å
196N33.8Very low34.1Very low130 Ų130155.5 Ų155.570%0.69581%0.805SS**  trans-62131.8174.1-72.2-23000109.5Q194 I198Q194-N196 PolarHBondContact O-N 3.39Å; N196-I198 PolarHBondContact O-N 2.94Å; N196-I198 VanDerWaalsContact O-N 3.12Å
197E32.8Very low33.9Very low183 Ų183154.8 Ų154.886%0.85580%0.796SS**  trans-55.6106.3169.5-172.6171.1-164.400108.9I195 T199I195-E197 PolarHBondContact O-N 3.11Å; E197-T199 PolarHBondContact O-N 3.19Å
198I36.2Very low33.7Very low135 Ų135150 Ų15069%0.69278%0.78SS**  trans-84.6107.2171-63.1171.7000106N196 D200N196-I198 PolarHBondContact O-N 2.94Å; N196-I198 VanDerWaalsContact O-N 3.12Å; I198-D200 PolarHBondContact O-N 3.13Å; I198-D200 VanDerWaalsContact O-N 3.13Å
199T30.2Very low33.3Very low116 Ų116147.1 Ų147.171%0.71277%0.773SS**  trans-71.591.6169.8-20.50000107.8E197E197-T199 PolarHBondContact O-N 3.19Å
200D35.4Very low33Very low145 Ų145145.8 Ų145.878%0.77576%0.762SS**  trans-92.6115.8166.7-76.7-27.9000108.8I198I198-D200 PolarHBondContact O-N 3.13Å; I198-D200 VanDerWaalsContact O-N 3.13Å
201D31.3Very low33.1Very low134 Ų134151.8 Ų151.872%0.71777%0.769SS**  trans-59.8144.5179.8-66.2-49.6000113.1
202D32.1Very low32.7Very low151 Ų151152.5 Ų152.581%0.80778%0.775SS**  trans53.570.9141.7-62.8-20000119.5
203E36Very low32.3Very low191 Ų191150.4 Ų150.489%0.89377%0.767SS**  trans-125.493.7140.2-80.3-166.2168.800110.4S205E203-S205 PolarHBondContact O-N 3.24Å
204S34.4Very low31.7Very low122 Ų122145 Ų14585%0.85376%0.761SS**  trans-66.672.4170.363.40000110.6S206S204-S206 PolarHBondContact O-N 3.05Å
205S34.5Very low31.6Very low102 Ų102141.3 Ų141.371%0.71375%0.752SS**  trans-79.899.7164.6-176.80000107.7E203 H207E203-S205 PolarHBondContact O-N 3.24Å; S205-H207 PolarHBondContact O-N 2.96Å
206S30.8Very low31.5Very low106 Ų106139.2 Ų139.274%0.74174%0.742SS**  trans-66.876.4172.852.50000109.9S204 V208S204-S206 PolarHBondContact O-N 3.05Å; S206-V208 PolarHBondContact O-N 3.39Å
207H30.8Very low31.4Very low160 Ų160142 Ų14274%0.74175%0.748SS**  trans-73.882.7166.8-155.372.8000108.1S205 V209S205-H207 PolarHBondContact O-N 2.96Å; H207-V209 PolarHBondContact O-N 2.95Å
208V32.9Very low31.6Very low94 Ų94137.4 Ų137.457%0.5774%0.736SS**  trans-62.8101.3171.4176.60000106.8S206 H210S206-V208 PolarHBondContact O-N 3.39Å; V208-H210 VanDerWaalsContact C-N 3.33Å; V208-H210 PolarHBondContact O-N 3.27Å
209V29Very low31.5Very low112 Ų112139.7 Ų139.768%0.67974%0.744SS**  trans-62.997.9170.4179.30000107.1H207 K211H207-V209 PolarHBondContact O-N 2.95Å; V209-K211 VanDerWaalsContact C-N 3.32Å; V209-K211 PolarHBondContact O-N 2.89Å
210H28.8Very low31.7Very low161 Ų161140.5 Ų140.575%0.74574%0.744SS**  trans-63.997.4167.3-70.4-67.4000107.6V208 I212V208-H210 VanDerWaalsContact C-N 3.33Å; V208-H210 PolarHBondContact O-N 3.27Å; H210-I212 VanDerWaalsContact C-N 3.29Å; H210-I212 PolarHBondContact O-N 3.48Å
211K32Very low31.9Very low195 Ų195140 Ų14085%0.84874%0.741SS**  trans-61.198.2163.8-83.6-176.8176.4179.40107V209 R213V209-K211 VanDerWaalsContact C-N 3.32Å; V209-K211 PolarHBondContact O-N 2.89Å; K211-R213 PolarHBondContact O-N 3.24Å
212I26.8Very low32.1Very low153 Ų153140.9 Ų140.979%0.78575%0.745SS**  trans-60105167.9-60.6174.2000105.7H210 S214H210-I212 VanDerWaalsContact C-N 3.29Å; H210-I212 PolarHBondContact O-N 3.48Å; I212-S214 PolarHBondContact O-N 3.4Å; I212-S214 VanDerWaalsContact O-N 3.11Å
213R25Very low32.2Very low214 Ų214143.3 Ų143.381%0.80874%0.744SS**  trans-71.5102.9174.1-172.4176-173.7175.71.1106.4K211K211-R213 PolarHBondContact O-N 3.24Å
214S26Very low32.2Very low92 Ų92138 Ų13864%0.64373%0.729SS**  trans-51.3133.8172.2-55.40000109.2I212 I216I212-S214 PolarHBondContact O-N 3.4Å; I212-S214 VanDerWaalsContact O-N 3.11Å; S214-I216 PolarHBondContact O-N 3.34Å; S214-I216 VanDerWaalsContact O-N 3.14Å
215P31.3Very low32.4Very low102 Ų102137.2 Ų137.266%0.66272%0.723SS**  trans-54.7122.8176.4-21.531000109.1F217P215-F217 PolarHBondContact O-N 3.28Å
216I31.6Very low32.6Very low125 Ų125138.3 Ų138.364%0.64172%0.721SS**  trans-65.8105.3165.8-63.9166.4000104.2S214 S218S214-I216 PolarHBondContact O-N 3.34Å; S214-I216 VanDerWaalsContact O-N 3.14Å; I216-S218 PolarHBondContact O-N 3.01Å
217F31.3Very low32.9Very low189 Ų189140 Ų14083%0.82972%0.721SS**  trans-66.793.3167-77.9-87.3000106.3P215 E219P215-F217 PolarHBondContact O-N 3.28Å; F217-E219 PolarHBondContact O-N 3.41Å
218S36.7Very low33Very low87 Ų87141.8 Ų141.861%0.60873%0.728SS**  trans-59.4118.9163.7-44.40000106.8I216 D220I216-S218 PolarHBondContact O-N 3.01Å; S218-D220 PolarHBondContact O-N 3.27Å
219E34.5Very low33.1Very low182 Ų182147.5 Ų147.585%0.8574%0.74SS**  trans-66.460.9173.1-85.6168.1151.600111.1F217 L221F217-E219 PolarHBondContact O-N 3.41Å; E219-L221 PolarHBondContact O-N 2.98Å
220D34.9Very low33.2Very low134 Ų134150.5 Ų150.572%0.71774%0.744SS**  trans-91.162.9167-72.7-26.9000108.5S218 N222S218-D220 PolarHBondContact O-N 3.27Å; D220-N222 PolarHBondContact O-N 2.93Å
221L38.4Very low33.2Very low135 Ų135151.8 Ų151.871%0.70775%0.751SS**  trans-76.857.8168.4-76.5168.6000110E219 Y223E219-L221 PolarHBondContact O-N 2.98Å; L221-Y223 HydrophobicContact CD2-CD2 3.7Å; L221-Y223 HydrophobicContact CD2-CE2 4.01Å; L221-Y223 PolarHBondContact O-N 2.69Å; L221-Y223 VanDerWaalsContact O-N 3.09Å
222N37.5Very low33.1Very low152 Ų152147.8 Ų147.881%0.81375%0.747SS**  trans-80.764.3158.2-77.2-36.3000108.3D220 S224D220-N222 PolarHBondContact O-N 2.93Å; N222-S224 PolarHBondContact O-N 3.2Å
223Y33.2Very low33.2Very low201 Ų201152.3 Ų152.379%0.78875%0.754SS**  trans-71.798.8167.9-106-92000107.9L221 S225L221-Y223 HydrophobicContact CD2-CD2 3.7Å; L221-Y223 HydrophobicContact CD2-CE2 4.01Å; L221-Y223 PolarHBondContact O-N 2.69Å; L221-Y223 VanDerWaalsContact O-N 3.09Å; Y223-S225 PolarHBondContact O-N 3.35Å
224S36.1Very low33.4Very low80 Ų80148.4 Ų148.456%0.55975%0.749SS**  trans-55.6118.9169.8-175.30000109N222 D226N222-S224 PolarHBondContact O-N 3.2Å; S224-D226 PolarHBondContact O-N 3.08Å; S224-D226 VanDerWaalsContact O-N 3.08Å
225S39.5Very low33.6Very low106 Ų106153.1 Ų153.174%0.74176%0.758SS**G310 helixtrans-738-176.6-63.40000114Y223Y223-S225 PolarHBondContact O-N 3.35Å
226D37.1Very low33.6Very low125 Ų125156 Ų15667%0.66876%0.763SS**G310 helixtrans-87.6-12.1-171.7-75.2-18.4000114.7S224 F228S224-D226 PolarHBondContact O-N 3.08Å; S224-D226 VanDerWaalsContact O-N 3.08Å; D226-F228 VanDerWaalsContact C-N 3.28Å; D226-F228 PolarHBondContact O-N 3.48Å
227D37Very low33.3Very low140 Ų140154.3 Ų154.375%0.74976%0.762SS**G310 helixtrans-78.4-8-178.7-78.2-24.7000114.1
228F34.4Very low33Very low198 Ų198152.2 Ų152.287%0.86876%0.759SS**G310 helixtrans-87-3.6178-124.6-95.7000114.7D226D226-F228 VanDerWaalsContact C-N 3.28Å; D226-F228 PolarHBondContact O-N 3.48Å
229Y35Very low32.7Very low214 Ų214154.9 Ų154.984%0.83977%0.765SS**SBendtrans-103.242.4178-81.9-80000113.8
230K31.3Very low32.4Very low175 Ų175154.1 Ų154.176%0.76177%0.766SS**  trans-136.479.2168.3-75.8-176.8-176.4165.50111.6
231Q27.2Very low32.1Very low189 Ų189151.8 Ų151.888%0.88376%0.76SS**SBendtrans161.193.6149.3-90.2161.9-0.800107.9
232S30.1Very low31.4Very low111 Ų111151.8 Ų151.878%0.77676%0.761SS**  -163.689.297.8-70.60000110.1L234S232-L234 PolarHBondContact O-N 2.84Å
233R29.1Very low31.1Very low247 Ų247151 Ų15193%0.93276%0.756SS**  trans-89.245.4167.5-78.4-172178.8-177.70.4111.6
234L29.6Very low30.8Very low132 Ų132148.9 Ų148.969%0.69176%0.759SS**  trans-124.451.4-177.7-90160.9000111.8S232S232-L234 PolarHBondContact O-N 2.84Å
235F30.8Very low30.6Very low192 Ų192150 Ų15084%0.84277%0.766SS**  trans-133.986152.8-75.2-72.2000108.5S237F235-S237 PolarHBondContact O-N 3.41Å
236H29.9Very low30.1Very low163 Ų163152.2 Ų152.276%0.75577%0.77SS**  trans-63.979.1163.4-67.2-75.8000109N238H236-N238 PolarHBondContact O-N 3.4Å
237S26.7Very low29.5Very low88 Ų88150.5 Ų150.562%0.61578%0.782SS**  trans-85.398.9163.2-50.80000106.4F235 I239F235-S237 PolarHBondContact O-N 3.41Å; S237-I239 PolarHBondContact O-N 2.9Å
238N24.8Very low29.3Very low145 Ų145150.3 Ų150.378%0.77579%0.786SS**  trans-61.576.1169.4-76.7-19.7000109.6H236 L240H236-N238 PolarHBondContact O-N 3.4Å; N238-L240 VanDerWaalsContact C-N 3.34Å; N238-L240 PolarHBondContact O-N 3.44Å
239I29.7Very low29.2Very low144 Ų144150.4 Ų150.474%0.73879%0.786SS**  trans-86.190165.6-57.5178.5000105.6S237 S241S237-I239 PolarHBondContact O-N 2.9Å; I239-S241 PolarHBondContact O-N 2.88Å
240L27.6Very low28.9Very low165 Ų165145.5 Ų145.586%0.86478%0.783SS**  trans-56.186.2161.6-84.9127.1000108.7N238N238-L240 VanDerWaalsContact C-N 3.34Å; N238-L240 PolarHBondContact O-N 3.44Å
241S29.1Very low28.8Very low85 Ų85143.7 Ų143.759%0.59478%0.781SS**  trans-100.290.8164.5-159.50000108.2I239 N243I239-S241 PolarHBondContact O-N 2.88Å; S241-N243 VanDerWaalsContact C-N 3.33Å; S241-N243 PolarHBondContact O-N 3Å; S241-N243 VanDerWaalsContact O-N 3.08Å
242N23.4Very low29Very low135 Ų135143.3 Ų143.372%0.72278%0.777SS**  trans-74.580.9176.2-172.423.8000109.4
243N31Very low29.2Very low135 Ų135144.1 Ų144.172%0.72277%0.772SS**  trans-110.976.1172.6-73.1-16.8000110S241 S245S241-N243 VanDerWaalsContact C-N 3.33Å; S241-N243 PolarHBondContact O-N 3Å; S241-N243 VanDerWaalsContact O-N 3.08Å; N243-S245 VanDerWaalsContact C-N 3.34Å; N243-S245 PolarHBondContact O-N 3.32Å; N243-S245 VanDerWaalsContact O-N 3.11Å
244N28.4Very low29.2Very low158 Ų158139.5 Ų139.585%0.84577%0.766SS**  trans-6992.9156.4-90.5-4.2000108.4
245S30.3Very low29.3Very low102 Ų102140.2 Ų140.271%0.71377%0.771SS**  trans-139.2101.7158.680.50000111.5N243N243-S245 VanDerWaalsContact C-N 3.34Å; N243-S245 PolarHBondContact O-N 3.32Å; N243-S245 VanDerWaalsContact O-N 3.11Å
246N30.6Very low29.5Very low154 Ų154136.9 Ų136.982%0.82477%0.771SS**  trans27.9113.6146.8-65.3-11.6000118.7V248N246-V248 PolarHBondContact O-N 2.82Å
247G23.8Very low29.6Very low88 Ų88137.8 Ų137.891%0.90778%0.776SS**  trans-57.9120.4161.600000111.7
248V32.6Very low29.6Very low137 Ų137142 Ų14283%0.8379%0.785SS**  trans-121.5129.5161-179.80000107.6N246N246-V248 PolarHBondContact O-N 2.82Å
249K31.8Very low29.9Very low200 Ų200142.4 Ų142.487%0.8779%0.785SS**  trans-58.3144.8-166.5-68.6165.3173.9173.50113N251K249-N251 PolarHBondContact O-N 2.98Å
250S28.6Very low29.9Very low111 Ų111141.2 Ų141.278%0.77678%0.784SS**  trans-53.7128.6167.667.40000111.1
251N30.4Very low30.1Very low137 Ų137139.8 Ų139.873%0.73378%0.776SS**  trans-105.8112.6160-165.816.9000108.6K249 N253K249-N251 PolarHBondContact O-N 2.98Å; N251-N253 PolarHBondContact O-N 3.12Å
252K31.4Very low30.2Very low180 Ų180143.5 Ų143.578%0.78378%0.784SS**  trans-82.1103.3170.9-79175.1173.6175.90107.4
253N33.5Very low30.4Very low129 Ų129146 Ų14669%0.6979%0.791SS**  trans-116.7100.8159.7-82.23.2000108N251N251-N253 PolarHBondContact O-N 3.12Å
254N29.6Very low30.4Very low150 Ų150147 Ų14780%0.80280%0.797SS**  trans-80.4112.9162.2-69.9-25.4000106.6
255D32.3Very low30.3Very low147 Ų147148.5 Ų148.579%0.78680%0.798SS**  trans-137.889.9158.6-87.5-35.3000107.7Q257D255-Q257 PolarHBondContact O-N 2.91Å
256S33.3Very low30.4Very low121 Ų121152.1 Ų152.185%0.84680%0.804SS**  trans-76.490.1170.5171.40000107.9Q258S256-Q258 PolarHBondContact O-N 3.27Å
257Q32.3Very low30.4Very low182 Ų182150.7 Ų150.785%0.8580%0.801SS**  trans-76104.6170.2-72.1-174.2-32.600109.3D255 M259D255-Q257 PolarHBondContact O-N 2.91Å; Q257-M259 PolarHBondContact O-N 3.29Å
258Q27.5Very low30.8Very low176 Ų176155.2 Ų155.282%0.82280%0.798SS**  trans-78103171.5-173.3177.25.700108S256 V260S256-Q258 PolarHBondContact O-N 3.27Å; Q258-V260 PolarHBondContact O-N 2.9Å
259M30.4Very low30.9Very low155 Ų155155.4 Ų155.476%0.76480%0.795SS**  trans-74.9120.1171.2-81.6-124.1-59.100109.6Q257 I261Q257-M259 PolarHBondContact O-N 3.29Å; M259-I261 HydrophobicContact CE-CD1 4.37Å; M259-I261 HydrophobicContact CE-CG1 4.32Å
260V30.7Very low30.8Very low119 Ų119152.8 Ų152.872%0.72179%0.791SS**  trans-85.9114.4164177.70000106Q258Q258-V260 PolarHBondContact O-N 2.9Å
261I30.3Very low31.2Very low135 Ų135153.6 Ų153.669%0.69279%0.786SS**  trans-99.1113.9172.1-61.1172.1000105.1M259M259-I261 HydrophobicContact CE-CD1 4.37Å; M259-I261 HydrophobicContact CE-CG1 4.32Å
262E31.6Very low31.3Very low162 Ų162155.1 Ų155.176%0.75779%0.794SS**  trans-75.3129.2172.2-66.7-176.716800108.1D264E262-D264 PolarHBondContact O-N 3.39Å
263E28.8Very low31.4Very low187 Ų187151.6 Ų151.687%0.87479%0.788SS**  trans-78.2105178.7-69.4174.6163.500108.6
264D29.8Very low31.3Very low158 Ų158154.6 Ų154.685%0.84580%0.798SS**  trans-83.1110.6169.1-75.3-31.8000109.1E262E262-D264 PolarHBondContact O-N 3.39Å
265E26.7Very low31.6Very low188 Ų188155.9 Ų155.988%0.87980%0.799SS**  trans-79.5107.1166.8-69-175167.800109.4
266E31.5Very low31.7Very low179 Ų179155 Ų15584%0.83680%0.799SS**  trans-141.1112.3159.7-78.3-149.4170.900113.5
267T31.2Very low31.8Very low124 Ų124157.5 Ų157.576%0.76180%0.798SS**  trans49.2111.1138.9540000121.6D269T267-D269 PolarHBondContact O-N 3.12Å
268E32.1Very low32.1Very low182 Ų182155.9 Ų155.985%0.8580%0.795SS**  trans-41.8119.9154.9-60.8-81.2168.500112.6
269D34.1Very low32.6Very low141 Ų141155.6 Ų155.675%0.75479%0.793SS**  trans-107.998.1170.5-148.912.8000108.1T267 N271T267-D269 PolarHBondContact O-N 3.12Å; D269-N271 PolarHBondContact O-N 3.04Å
270D31.7Very low33Very low146 Ų146155.4 Ų155.478%0.78180%0.796SS**  trans-67.191.1176.8-82.2-34.8000110.1
271N36.1Very low33.1Very low128 Ų128158.5 Ų158.568%0.68480%0.799SS**  trans-104.794.4166.9-87.9-45.3000111.1D269 T273D269-N271 PolarHBondContact O-N 3.04Å; N271-T273 PolarHBondContact O-N 3.4Å
272D33.2Very low33.4Very low168 Ų168157.6 Ų157.690%0.89880%0.8SS**  trans-56.592.1164.1-88.2-33.3000110.5
273T33.4Very low33.4Very low107 Ų107157.6 Ų157.666%0.65680%0.8SS**  trans-100.8104.9169.6-48.90000108.9N271 E275N271-T273 PolarHBondContact O-N 3.4Å; T273-E275 HydrophobicContact CG2-CG 4.1Å
274Q29.7Very low33.7Very low191 Ų191155 Ų15589%0.89379%0.791SS**  trans-79.8113.8167.1-67.8-157.8-15.200109.1
275E37Very low33.9Very low178 Ų178156.9 Ų156.983%0.83279%0.792SS**  trans-111.8136166.4-69-158.4157.800111.1T273T273-E275 HydrophobicContact CG2-CG 4.1Å
276T34.5Very low34.1Very low129 Ų129158.4 Ų158.479%0.79179%0.79SS**  trans-79.8137.2-168.544.50000112.6D278T276-D278 PolarHBondContact O-N 2.96Å
277E35.3Very low34Very low173 Ų173158.5 Ų158.581%0.80879%0.79SS**  trans-68.7101.4177.3-62.2174.8160.300111.8E279E277-E279 PolarHBondContact O-N 3.49Å
278D38.6Very low34.1Very low148 Ų148158.2 Ų158.279%0.79178%0.784SS**  trans-90.493.2163.8-88.2-22.9000109.7T276 N280T276-D278 PolarHBondContact O-N 2.96Å; D278-N280 VanDerWaalsContact C-N 3.3Å; D278-N280 PolarHBondContact O-N 3.05Å
279E37.8Very low34Very low170 Ų170155.8 Ų155.879%0.79478%0.781SS**  trans-68.275.5175.3-66.6-173.116000112.2E277 K281E277-E279 PolarHBondContact O-N 3.49Å; E279-K281 VanDerWaalsContact C-N 3.34Å; E279-K281 PolarHBondContact O-N 3.49Å
280N38.9Very low33.8Very low151 Ų151158 Ų15881%0.80778%0.78SS**  trans-79.185.6167-98.1-31.3000110.7D278 V282D278-N280 VanDerWaalsContact C-N 3.3Å; D278-N280 PolarHBondContact O-N 3.05Å; N280-V282 PolarHBondContact O-N 3.35Å
281K33.7Very low33.9Very low184 Ų184156.4 Ų156.480%0.878%0.778SS**  trans-7082.6176.5-163.6178.9-174-179.80111.2E279 E283E279-K281 VanDerWaalsContact C-N 3.34Å; E279-K281 PolarHBondContact O-N 3.49Å; K281-E283 PolarHBondContact O-N 3.48Å
282V35.6Very low33.8Very low115 Ų115156.8 Ų156.870%0.69779%0.785SS**  trans-82.4100.9172.4-1790000109.2N280 L284N280-V282 PolarHBondContact O-N 3.35Å; V282-L284 PolarHBondContact O-N 3.26Å; V282-L284 VanDerWaalsContact O-N 3.09Å
283E31.8Very low33.8Very low163 Ų163154.5 Ų154.576%0.76278%0.777SS**  trans-66.9101.1170-91.1-179.9172.300110.4K281 K285K281-E283 PolarHBondContact O-N 3.48Å; E283-K285 PolarHBondContact O-N 2.91Å
284L35.1Very low33.9Very low131 Ų131154.4 Ų154.469%0.68678%0.778SS**  trans-71.9105.7170.1-69.9168.5000109.4V282 W286V282-L284 PolarHBondContact O-N 3.26Å; V282-L284 VanDerWaalsContact O-N 3.09Å; L284-W286 VanDerWaalsContact O-CD1 3.28Å; L284-W286 PolarHBondContact O-N 2.9Å
285K33Very low34.1Very low199 Ų199151.9 Ų151.987%0.86577%0.771SS**  trans-72109.9170-76.8-175.7176.91790109.5E283 E287E283-K285 PolarHBondContact O-N 2.91Å; K285-E287 PolarHBondContact O-N 3.03Å
286W31.7Very low34.1Very low220 Ų220152.7 Ų152.783%0.83377%0.771SS**  trans-75100.7169.9-63.485.8000109L284 N288L284-W286 VanDerWaalsContact O-CD1 3.28Å; L284-W286 PolarHBondContact O-N 2.9Å; W286-N288 PolarHBondContact O-N 3.21Å
287E30.6Very low34.1Very low180 Ų180153.4 Ų153.484%0.84177%0.771SS**  trans-78.7103.6171-162.6164.6-149.300108.2K285 V289K285-E287 PolarHBondContact O-N 3.03Å; E287-V289 PolarHBondContact O-N 2.81Å
288N32.4Very low34.1Very low119 Ų119153.4 Ų153.464%0.63677%0.77SS**  trans-67.493.6177.3-79.3-20.1000109.7W286 Y290W286-N288 PolarHBondContact O-N 3.21Å; N288-Y290 HydrophobicContact CB-CE2 4.13Å; N288-Y290 WeakPolarHBondContact O-CD2 3.25Å; N288-Y290 PolarHBondContact O-N 2.98Å
289V30.2Very low33.9Very low131 Ų131152.3 Ų152.379%0.79476%0.764SS**  trans-73.196.8168.8-177.20000107.7E287 P291E287-V289 PolarHBondContact O-N 2.81Å; V289-P291 WeakPolarHBondContact O-CD 3.42Å
290Y28.9Very low33.7Very low186 Ų186152.4 Ų152.473%0.72977%0.768SS**  trans-66124.5173.6-71.8-85.1000109.5N288 T292N288-Y290 HydrophobicContact CB-CE2 4.13Å; N288-Y290 WeakPolarHBondContact O-CD2 3.25Å; N288-Y290 PolarHBondContact O-N 2.98Å; Y290-T292 PolarHBondContact O-N 3.08Å
291P35Very low33.9Very low114 Ų114151.8 Ų151.874%0.7476%0.76SS**  trans-65.5117.8173.723.3-29.2000109.5V289 V293V289-P291 WeakPolarHBondContact O-CD 3.42Å; P291-V293 PolarHBondContact O-N 3.49Å
292T34.1Very low34.4Very low135 Ų135152.1 Ų152.183%0.82876%0.761SS**  trans-62110173.5-50.20000109Y290 P294Y290-T292 PolarHBondContact O-N 3.08Å; T292-P294 WeakPolarHBondContact O-CD 3.45Å
293V33.3Very low34.6Very low121 Ų121150.3 Ų150.373%0.73377%0.766SS**PPolyproline II helixtrans-65.4120.5177.1-176.80000108.8P291 N295P291-V293 PolarHBondContact O-N 3.49Å; V293-N295 PolarHBondContact O-N 2.95Å
294P34.8Very low35.2Very low105 Ų105147.3 Ų147.368%0.68275%0.752SS**PPolyproline II helixtrans-61.2133.5177.9-21.132000111.2T292 K296T292-P294 WeakPolarHBondContact O-CD 3.45Å; P294-K296 PolarHBondContact O-N 3.41Å
295N34.1Very low35.9Very low137 Ų137143.8 Ų143.873%0.73374%0.738SS**PPolyproline II helixtrans-56.2126.1176.5-171.8-7.2000110.2V293 N297V293-N295 PolarHBondContact O-N 2.95Å; N295-N297 PolarHBondContact O-N 3.25Å
296K37Very low36.4Very low195 Ų195140.3 Ų140.385%0.84872%0.721SS**THydrogen-bonded Turntrans-65.21.8-166-75.8-177.3175.3178.70116.3P294P294-K296 PolarHBondContact O-N 3.41Å
297N34.8Very low37.2Very low145 Ų145137.1 Ų137.178%0.77572%0.715SS**THydrogen-bonded Turntrans-106.8-4.1-168.6-74.81000116.2N295N295-N297 PolarHBondContact O-N 3.25Å
298E35.4Very low38.3Very low172 Ų172133.5 Ų133.580%0.80470%0.698SS**SBendtrans-139.2110.8175.6-73.2-178.3171.400109
299I33.7Very low39.5Very low126 Ų126134.1 Ų134.165%0.64670%0.695SS**  trans147.673.2159.9-74.3156000107.1Q301I299-Q301 HydrophobicContact CG2-CB 3.43Å; I299-Q301 VanDerWaalsContact CG2-CB 3.43Å; I299-Q301 HydrophobicContact CG2-CG 3.45Å; I299-Q301 VanDerWaalsContact CG2-CG 3.45Å; I299-Q301 PolarHBondContact O-N 3.46Å
300I34.2Very low40.2Very low171 Ų171131.4 Ų131.488%0.87768%0.676SS**  trans-74.362.4150.8-51.9172.5000105.7K302I300-K302 PolarHBondContact O-N 2.96Å; I300-K302 VanDerWaalsContact O-N 3.15Å
301Q42.4Very low41.4Very low139 Ų139126.1 Ų126.165%0.6567%0.671SS**  trans-77.4102.4167.4-881714000105.6I299 G303I299-Q301 HydrophobicContact CG2-CB 3.43Å; I299-Q301 VanDerWaalsContact CG2-CB 3.43Å; I299-Q301 HydrophobicContact CG2-CG 3.45Å; I299-Q301 VanDerWaalsContact CG2-CG 3.45Å; I299-Q301 PolarHBondContact O-N 3.46Å; Q301-G303 PolarHBondContact O-N 2.87Å
302K44.3Very low42.2Very low191 Ų191127 Ų12783%0.8366%0.663SS**  trans-42.3116.4158.3-73.3179.7174.9179.80106.9I300 Q304I300-K302 PolarHBondContact O-N 2.96Å; I300-K302 VanDerWaalsContact O-N 3.15Å; K302-Q304 PolarHBondContact O-N 3.26Å; K302-Q304 VanDerWaalsContact O-N 3.07Å
303G40.6Very low42.4Very low77 Ų77123.5 Ų123.579%0.79465%0.648SS**PPolyproline II helixtrans-50.7118.5-175.600000110.1Q301Q301-G303 PolarHBondContact O-N 2.87Å
304Q43.3Very low42.5Very low99 Ų99123.6 Ų123.646%0.46365%0.649SS.*PPolyproline II helixtrans-63.4143.3167.6-72.9176.2400107.7K302 E308K302-Q304 PolarHBondContact O-N 3.26Å; K302-Q304 VanDerWaalsContact O-N 3.07Å; Q304-E308 HydrophobicContact CB-CB 4.33Å; Q304-E308 WeakPolarHBondContact CG-OE2 3.4Å
305S50.3Low42.9Very low58 Ų58126.3 Ų126.341%0.40665%0.65SS.*PPolyproline II helixtrans-67.3152.5172.974.10000109.5E307 E308 F309S305-E307 PolarHBondContact O-N 3.31Å; S305-E308 PolarHBondContact O-N 3.13Å; S305-E308 PolarHBondContact OG-N 3.32Å; S305-F309 PolarHBondContact O-N 3.15Å
306Y43.2Very low42.7Very low126 Ų126125.1 Ų125.149%0.49465%0.653SS.*Hα-helixtrans-54.7-32.7175178.2-107.5000112.2I14 F309 L310I14-Y306 HydrophobicContact CD1-CE2 3.99Å; Y306-F309 PolarHBondContact O-N 3.19Å; Y306-L310 HydrophobicContact CD1-CD1 3.99Å; Y306-L310 HydrophobicContact CE1-CD1 3.47Å; Y306-L310 VanDerWaalsContact CE1-CD1 3.47Å; Y306-L310 HydrophobicContact CE1-CG 4.26Å; Y306-L310 WeakPolarHBondContact O-CG 3.47Å; Y306-L310 PolarHBondContact O-N 3.07Å; Y306-L310 VanDerWaalsContact O-N 3.15Å
307E47.8Very low42.7Very low153 Ų153122 Ų12272%0.71564%0.644SS**Hα-helixtrans-66.5-39.1174.3-80.1179.214700113.2S305 L310 A311S305-E307 PolarHBondContact O-N 3.31Å; E307-L310 PolarHBondContact O-N 2.91Å; E307-A311 WeakPolarHBondContact O-CB 3.33Å; E307-A311 PolarHBondContact O-N 3.06Å
308E54.9Low42.7Very low103 Ų103123.5 Ų123.548%0.48165%0.647SS.*Hα-helixtrans-66.5-36.8175.5-85.4-173.3155.600112.4Q304 S305 A311 K312Q304-E308 HydrophobicContact CB-CB 4.33Å; Q304-E308 WeakPolarHBondContact CG-OE2 3.4Å; S305-E308 PolarHBondContact O-N 3.13Å; S305-E308 PolarHBondContact OG-N 3.32Å; E308-A311 PolarHBondContact O-N 3.38Å; E308-K312 PolarHBondContact O-N 3.15Å
309F56.9Low42.7Very low133 Ų133122.4 Ų122.458%0.58365%0.646SS**Hα-helixtrans-61.9-47.1175173.3-101000111S305 Y306 A311 K312 A313S305-F309 PolarHBondContact O-N 3.15Å; Y306-F309 PolarHBondContact O-N 3.19Å; F309-A311 VanDerWaalsContact C-N 3.34Å; F309-A311 PolarHBondContact O-N 3.35Å; F309-K312 PolarHBondContact O-N 3.4Å; F309-A313 PolarHBondContact O-N 2.91Å
310L45.7Very low42.8Very low73 Ų73121.3 Ų121.338%0.38265%0.65SS.*Hα-helixtrans-64.6-36.9177.2-68.9178.9000112.4Y306 E307 K312 A313Y306-L310 HydrophobicContact CD1-CD1 3.99Å; Y306-L310 HydrophobicContact CE1-CD1 3.47Å; Y306-L310 VanDerWaalsContact CE1-CD1 3.47Å; Y306-L310 HydrophobicContact CE1-CG 4.26Å; Y306-L310 WeakPolarHBondContact O-CG 3.47Å; Y306-L310 PolarHBondContact O-N 3.07Å; Y306-L310 VanDerWaalsContact O-N 3.15Å; E307-L310 PolarHBondContact O-N 2.91Å; L310-K312 VanDerWaalsContact C-N 3.3Å; L310-K312 PolarHBondContact O-N 3.1Å; L310-A313 PolarHBondContact O-N 3.15Å
311A53Low43Very low76 Ų76120 Ų12063%0.62865%0.65SS**Hα-helixtrans-67.2-28.717900000113.5E307 E308 F309E307-A311 WeakPolarHBondContact O-CB 3.33Å; E307-A311 PolarHBondContact O-N 3.06Å; E308-A311 PolarHBondContact O-N 3.38Å; F309-A311 VanDerWaalsContact C-N 3.34Å; F309-A311 PolarHBondContact O-N 3.35Å
312K52.5Low42.5Very low131 Ų131121.8 Ų121.857%0.5765%0.652SS**Hα-helixtrans-82.3-14.5178-77.6177.8-178170.90114.1E308 F309 L310 T314E308-K312 PolarHBondContact O-N 3.15Å; F309-K312 PolarHBondContact O-N 3.4Å; L310-K312 VanDerWaalsContact C-N 3.3Å; L310-K312 PolarHBondContact O-N 3.1Å; K312-T314 PolarHBondContact O-N 2.99Å
313A38.1Very low42Very low63 Ų63119.2 Ų119.252%0.52165%0.647SS.*  trans-75.964.4176.100000110.8F309 L310 F315F309-A313 PolarHBondContact O-N 2.91Å; L310-A313 PolarHBondContact O-N 3.15Å; A313-F315 PolarHBondContact O-N 3.19Å
314T35.8Very low41.8Very low123 Ų123119.6 Ų119.676%0.75564%0.636SS**  trans-80112.7168.546.90000109K312K312-T314 PolarHBondContact O-N 2.99Å
315F42.4Very low41.6Very low161 Ų161120.3 Ų120.371%0.70665%0.647SS**  trans-88.6129173.746.3-86.6000110.2A313 I317A313-F315 PolarHBondContact O-N 3.19Å; F315-I317 HydrophobicContact CD2-CD1 4.36Å; F315-I317 HydrophobicContact CD2-CG1 3.92Å; F315-I317 HydrophobicContact CE2-CD1 4.13Å; F315-I317 HydrophobicContact CE2-CG1 4.21Å
316S31.1Very low40.7Very low113 Ų113125.1 Ų125.179%0.7967%0.668SS**  trans-82.2114.1167.7-64.90000108.3E318S316-E318 PolarHBondContact O-N 3.03Å; S316-E318 VanDerWaalsContact O-N 3.15Å
317I36.4Very low40.5Very low129 Ų129127 Ų12766%0.66268%0.681SS**  trans-77.297.8171.1-59.2166.5000106.6F315 N319F315-I317 HydrophobicContact CD2-CD1 4.36Å; F315-I317 HydrophobicContact CD2-CG1 3.92Å; F315-I317 HydrophobicContact CE2-CD1 4.13Å; F315-I317 HydrophobicContact CE2-CG1 4.21Å; I317-N319 PolarHBondContact O-N 3.33Å
318E33.9Very low39.9Very low177 Ų177125.2 Ų125.283%0.82769%0.686SS**  trans-69.2114.6164.9-71.1-176.7173.700107.9S316 S320S316-E318 PolarHBondContact O-N 3.03Å; S316-E318 VanDerWaalsContact O-N 3.15Å; E318-S320 PolarHBondContact O-N 3.04Å
319N36.2Very low39Very low149 Ų149125.7 Ų125.780%0.79769%0.691SS**  trans-6982.6170.3-74-21000108.2I317 T321I317-N319 PolarHBondContact O-N 3.33Å; N319-T321 PolarHBondContact O-N 2.97Å
320S36.7Very low38Very low103 Ų103128.3 Ų128.372%0.7271%0.705SS**  trans-68.3113168.565.60000108.1E318 Y322E318-S320 PolarHBondContact O-N 3.04Å; S320-Y322 PolarHBondContact O-N 3.21Å
321T36.9Very low37.6Very low142 Ų142131.1 Ų131.187%0.87172%0.716SS**  trans-59.1103.6169-51.20000108N319 D323N319-T321 PolarHBondContact O-N 2.97Å; T321-D323 PolarHBondContact O-N 3.35Å
322Y31.8Very low36.8Very low177 Ų177136.8 Ų136.869%0.69473%0.73SS**  trans-71115.6178-174-97.4000108.7S320 P324S320-Y322 PolarHBondContact O-N 3.21Å; Y322-P324 HydrophobicContact CD1-CB 4.41Å; Y322-P324 HydrophobicContact CE1-CB 4.11Å; Y322-P324 WeakPolarHBondContact O-CD 3.47Å
323D33.7Very low36.5Very low137 Ų137134.6 Ų134.673%0.73373%0.731SS**  trans-94.8110.4171.9-153.6-3.6000107.7T321 V325T321-D323 PolarHBondContact O-N 3.35Å; D323-V325 PolarHBondContact O-N 3.33Å
324P38.1Very low36.5Very low86 Ų86140.7 Ų140.756%0.55875%0.749SS**  trans-73.394.5-174.428.5-32.7000110Y322 N326Y322-P324 HydrophobicContact CD1-CB 4.41Å; Y322-P324 HydrophobicContact CE1-CB 4.11Å; Y322-P324 WeakPolarHBondContact O-CD 3.47Å; P324-N326 PolarHBondContact O-N 2.91Å
325V37.3Very low36.7Very low114 Ų114144.5 Ų144.569%0.69175%0.751SS**  trans-72.9109.8165.8-174.20000107.4D323 E327D323-V325 PolarHBondContact O-N 3.33Å; V325-E327 VanDerWaalsContact C-N 3.3Å; V325-E327 HydrophobicContact CG1-CG 4.23Å; V325-E327 PolarHBondContact O-N 3.38Å
326N32.3Very low36.8Very low159 Ų159141 Ų14185%0.8574%0.739SS**  trans-62.286.2170.9-90.6-23.6000109.8P324P324-N326 PolarHBondContact O-N 2.91Å
327E38Very low37.4Very low165 Ų165139.9 Ų139.977%0.77173%0.732SS**  trans-98.292.5160.6-74.1-178.6-170.300107.8V325 N329V325-E327 VanDerWaalsContact C-N 3.3Å; V325-E327 HydrophobicContact CG1-CG 4.23Å; V325-E327 PolarHBondContact O-N 3.38Å; E327-N329 VanDerWaalsContact C-N 3.3Å; E327-N329 PolarHBondContact O-N 2.92Å
328S35.7Very low37.6Very low116 Ų116138.8 Ų138.881%0.81173%0.731SS**  trans-6093.6161.247.60000108.1
329N36.7Very low37.9Very low112 Ų112135 Ų13560%0.59972%0.716SS**  trans-110.991.8170.6-146.513.5000109.4E327 H331E327-N329 VanDerWaalsContact C-N 3.3Å; E327-N329 PolarHBondContact O-N 2.92Å; N329-H331 VanDerWaalsContact CG-CD2 3.45Å; N329-H331 PolarHBondContact ND2-CD2 3.44Å; N329-H331 PolarHBondContact ND2-NE2 2.93Å; N329-H331 PolarHBondContact O-N 3.14Å; N329-H331 PolarHBondContact OD1-CD2 3.23Å; N329-H331 PolarHBondContact OD1-NE2 3.49Å
330E35.3Very low38.2Very low188 Ų188133.7 Ų133.788%0.87971%0.708SS**  trans-64.977.5162.1-70.9174168.400108.2
331H37.2Very low38.2Very low132 Ų132138.8 Ų138.861%0.61171%0.711SS**  trans-117.695.1158.9-68.2-28.3000106N329 S333N329-H331 VanDerWaalsContact CG-CD2 3.45Å; N329-H331 PolarHBondContact ND2-CD2 3.44Å; N329-H331 PolarHBondContact ND2-NE2 2.93Å; N329-H331 PolarHBondContact O-N 3.14Å; N329-H331 PolarHBondContact OD1-CD2 3.23Å; N329-H331 PolarHBondContact OD1-NE2 3.49Å; H331-S333 PolarHBondContact O-N 2.92Å
332E37.7Very low38.2Very low195 Ų195138.1 Ų138.191%0.91170%0.703SS**  trans-57.790.3154.7-70.5-175.916600106E334E332-E334 PolarHBondContact O-N 3.13Å
333S45.4Very low38.6Very low86 Ų86134.3 Ų134.360%0.60169%0.694SS**  trans-66.8107.8-177.651.60000107.9H331 Y335H331-S333 PolarHBondContact O-N 2.92Å; S333-Y335 PolarHBondContact O-N 2.87Å
334E38.9Very low38.9Very low191 Ų191136.1 Ų136.189%0.89370%0.7SS**  trans-56.111.1166.4-85178.9148.900114.6E332 D336E332-E334 PolarHBondContact O-N 3.13Å; E334-D336 PolarHBondContact O-N 3.48Å; E334-D336 VanDerWaalsContact O-N 3.12Å
335Y39.3Very low39.1Very low202 Ų202136.7 Ų136.779%0.79270%0.699SS**THydrogen-bonded Turntrans-78.590.9173.6-79.1-88.9000110.4S333S333-Y335 PolarHBondContact O-N 2.87Å
336D43.8Very low39.4Very low87 Ų87135.7 Ų135.747%0.46569%0.689SS.*THydrogen-bonded Turn-177.27.5128.5-111-8.3000116.7E334 I339 L340E334-D336 PolarHBondContact O-N 3.48Å; E334-D336 VanDerWaalsContact O-N 3.12Å; D336-I339 WeakPolarHBondContact OD1-CD1 3.22Å; D336-L340 PolarHBondContact O-N 3.28Å
337S44.4Very low39.9Very low90 Ų90134 Ų13463%0.62968%0.68SS**Hα-helixtrans-72.2-32.6-179.659.50000113.3L340 R341S337-L340 PolarHBondContact O-N 2.88Å; S337-R341 PolarHBondContact O-N 3.16Å
338T39.5Very low40.2Very low106 Ų106130.8 Ų130.865%0.6567%0.665SS**Hα-helixtrans-72.5-31.3177.348.90000113R341 N342T338-R341 PolarHBondContact O-N 2.96Å; T338-N342 PolarHBondContact O-N 2.97Å
339I41.8Very low40.5Very low99 Ų99130.4 Ų130.451%0.50865%0.654SS.*Hα-helixtrans-73.1-32.6174.9-58-172.3000110.9D336 N343D336-I339 WeakPolarHBondContact OD1-CD1 3.22Å; I339-N343 PolarHBondContact O-ND2 3.24Å
340L41.8Very low40.6Very low121 Ų121130.4 Ų130.463%0.63465%0.651SS**Hα-helixtrans-67.6-36.5174-78.5167.1000112.6D336 S337 N342 N343D336-L340 PolarHBondContact O-N 3.28Å; S337-L340 PolarHBondContact O-N 2.88Å; L340-N342 VanDerWaalsContact C-N 3.33Å; L340-N342 PolarHBondContact O-N 3.44Å; L340-N343 PolarHBondContact O-N 3.36Å
341R37.8Very low40.9Very low209 Ų209129.8 Ų129.879%0.78964%0.641SS**Hα-helixtrans-65.8-35.2179-150.5176.4-141.3166.78112.7S337 T338 N343 M344S337-R341 PolarHBondContact O-N 3.16Å; T338-R341 PolarHBondContact O-N 2.96Å; R341-N343 VanDerWaalsContact C-N 3.26Å; R341-N343 PolarHBondContact O-N 2.93Å; R341-M344 PolarHBondContact O-N 3.48Å
342N36.4Very low41.3Very low128 Ų128127.8 Ų127.868%0.68464%0.638SS**Hα-helixtrans-70.4-19.5177.7-76.3-13.9000113.8T338 L340T338-N342 PolarHBondContact O-N 2.97Å; L340-N342 VanDerWaalsContact C-N 3.33Å; L340-N342 PolarHBondContact O-N 3.44Å
343N40.6Very low41.6Very low98 Ų98121.1 Ų121.152%0.52461%0.613SS.*Hα-helixtrans-83.5-11.5178-73.7-41.2000114.1I339 L340 R341I339-N343 PolarHBondContact O-ND2 3.24Å; L340-N343 PolarHBondContact O-N 3.36Å; R341-N343 VanDerWaalsContact C-N 3.26Å; R341-N343 PolarHBondContact O-N 2.93Å
344M40.1Very low41.3Very low174 Ų174122.2 Ų122.286%0.85761%0.612SS**THydrogen-bonded Turntrans-86.1-8.3179.6-124.9-157.2-68.800114.5R341R341-M344 PolarHBondContact O-N 3.48Å
345N40.6Very low41.4Very low99 Ų99121.1 Ų121.153%0.52960%0.604SS.*SBendtrans-112.214.3-175.9-148.713.9000115.3N347 E348N345-N347 PolarHBondContact O-N 3.07Å; N345-E348 PolarHBondContact O-N 3.45Å; N345-E348 WeakPolarHBondContact OD1-CB 3.31Å
346I43.6Very low41.2Very low92 Ų92116.7 Ų116.747%0.47259%0.594SS.*Hα-helixtrans-68-26.7179.8-60.6172.4000111.7E348 M350I346-E348 VanDerWaalsContact C-N 3.35Å; I346-E348 PolarHBondContact O-N 2.97Å; I346-M350 PolarHBondContact O-N 3.14Å
347N43.5Very low40.9Very low125 Ų125119 Ų11967%0.66860%0.6SS**Hα-helixtrans-69.6-30.8178.6-88.9-21.5000113.1N345 R351N345-N347 PolarHBondContact O-N 3.07Å; N347-R351 PolarHBondContact O-N 3.39Å
348E43.7Very low40.8Very low96 Ų96120.7 Ų120.745%0.44960%0.602SS.*Hα-helixtrans-80.5-38.3-179.6-134.259.2-154.500111.4N345 I346 M350 R351 V352N345-E348 PolarHBondContact O-N 3.45Å; N345-E348 WeakPolarHBondContact OD1-CB 3.31Å; I346-E348 VanDerWaalsContact C-N 3.35Å; I346-E348 PolarHBondContact O-N 2.97Å; E348-M350 PolarHBondContact O-N 3.36Å; E348-R351 WeakPolarHBondContact O-CA 3.15Å; E348-R351 WeakPolarHBondContact O-CB 3.49Å; E348-R351 PolarHBondContact O-N 2.86Å; E348-R351 IonicContact OE1-NH1 2.67Å; E348-V352 PolarHBondContact O-N 3.36Å
349D42.3Very low40.8Very low109 Ų109118.4 Ų118.458%0.58359%0.59SS**Hα-helixtrans-66.8-34.8175.8-91.1-5.4000113.2R351 V352 S353D349-R351 VanDerWaalsContact C-N 3.25Å; D349-R351 PolarHBondContact O-N 3.29Å; D349-V352 PolarHBondContact O-N 2.91Å; D349-S353 WeakPolarHBondContact O-CB 3.23Å; D349-S353 PolarHBondContact O-N 3Å; D349-S353 PolarHBondContact O-OG 3.26Å
350M39.5Very low40.7Very low111 Ų111116.8 Ų116.855%0.54759%0.585SS.*Hα-helixtrans-65.1-32.6170.6-85.1-147.7-72.900112I346 E348 S353 N354I346-M350 PolarHBondContact O-N 3.14Å; E348-M350 PolarHBondContact O-N 3.36Å; M350-S353 PolarHBondContact O-N 3.36Å; M350-N354 PolarHBondContact O-N 3.19Å; M350-N354 VanDerWaalsContact O-N 3.08Å
351R41.9Very low40.4Very low175 Ų175115.9 Ų115.966%0.6658%0.581SS**Hα-helixtrans-73.7-35179.6-150.3177.7172.1-173.4-1.2112.1N347 E348 D349N347-R351 PolarHBondContact O-N 3.39Å; E348-R351 WeakPolarHBondContact O-CA 3.15Å; E348-R351 WeakPolarHBondContact O-CB 3.49Å; E348-R351 PolarHBondContact O-N 2.86Å; E348-R351 IonicContact OE1-NH1 2.67Å; D349-R351 VanDerWaalsContact C-N 3.25Å; D349-R351 PolarHBondContact O-N 3.29Å
352V45.8Very low40.4Very low91 Ų91108.8 Ų108.855%0.55257%0.567SS**Hα-helixtrans-69.8-42.1171178.60000110.9E348 D349 N354 K355 L356E348-V352 PolarHBondContact O-N 3.36Å; D349-V352 PolarHBondContact O-N 2.91Å; V352-N354 VanDerWaalsContact C-N 3.33Å; V352-N354 PolarHBondContact O-N 3.41Å; V352-K355 PolarHBondContact O-N 3.37Å; V352-K355 VanDerWaalsContact O-N 3.12Å; V352-L356 PolarHBondContact O-N 2.9Å
353S42.1Very low40.6Very low54 Ų54107.9 Ų107.938%0.37856%0.562SS.*Hα-helixtrans-59.9-42.7179.4-61.90000112D349 M350 K355 L356 F357D349-S353 WeakPolarHBondContact O-CB 3.23Å; D349-S353 PolarHBondContact O-N 3Å; D349-S353 PolarHBondContact O-OG 3.26Å; M350-S353 PolarHBondContact O-N 3.36Å; S353-K355 VanDerWaalsContact C-N 3.32Å; S353-K355 PolarHBondContact O-N 3.19Å; S353-L356 PolarHBondContact O-N 3.21Å; S353-L356 VanDerWaalsContact O-N 3.13Å; S353-F357 WeakPolarHBondContact O-CD2 3.46Å; S353-F357 PolarHBondContact O-N 2.96Å; S353-F357 VanDerWaalsContact O-N 3.15Å
354N39.6Very low40.4Very low110 Ų110108.3 Ų108.359%0.58856%0.564SS**Hα-helixtrans-65.3-33.1177.6-72.6-20.1000112.9M350 V352M350-N354 PolarHBondContact O-N 3.19Å; M350-N354 VanDerWaalsContact O-N 3.08Å; V352-N354 VanDerWaalsContact C-N 3.33Å; V352-N354 PolarHBondContact O-N 3.41Å
355K42.4Very low40.2Very low167 Ų167106.6 Ų106.673%0.72656%0.557SS**Hα-helixtrans-72.4-30.2172.7-89.4-175.4174.9-179.50113.3V352 S353V352-K355 PolarHBondContact O-N 3.37Å; V352-K355 VanDerWaalsContact O-N 3.12Å; S353-K355 VanDerWaalsContact C-N 3.32Å; S353-K355 PolarHBondContact O-N 3.19Å
356L33.7Very low40.1Very low110 Ų110105.3 Ų105.358%0.57656%0.556SS**Hα-helixtrans-72.2-31.6178.7-16470.9000112.1V352 S353 S359 T360V352-L356 PolarHBondContact O-N 2.9Å; S353-L356 PolarHBondContact O-N 3.21Å; S353-L356 VanDerWaalsContact O-N 3.13Å; L356-S359 PolarHBondContact O-OG 3.11Å; L356-T360 PolarHBondContact O-N 3.06Å; L356-T360 VanDerWaalsContact O-N 3.15Å; L356-T360 PolarHBondContact O-OG1 3.47Å
357F37.9Very low39.9Very low135 Ų135105 Ų10559%0.59256%0.562SS**Hα-helixtrans-68.6-34175.1-78.3-68.5000112.9S353 N361S353-F357 WeakPolarHBondContact O-CD2 3.46Å; S353-F357 PolarHBondContact O-N 2.96Å; S353-F357 VanDerWaalsContact O-N 3.15Å; F357-N361 PolarHBondContact O-N 3.17Å
358D41.8Very low39.3Very low125 Ų125109.7 Ų109.767%0.66857%0.57SS**Hα-helixtrans-67.2-36.8177.4-75.1-18.1000112.4
359S40.9Very low39Very low58 Ų58110.7 Ų110.741%0.40658%0.583SS.*Hα-helixtrans-78.2-34178.463.20000113.2L356 A362 N363L356-S359 PolarHBondContact O-OG 3.11Å; S359-A362 PolarHBondContact O-N 3.11Å; S359-N363 PolarHBondContact O-N 3.32Å
360T38.9Very low38.7Very low65 Ų65110.6 Ų110.640%0.39959%0.587SS.*Hα-helixtrans-70.9-37.9-177.8-49.50000111.5L356 A362 N363 L364L356-T360 PolarHBondContact O-N 3.06Å; L356-T360 VanDerWaalsContact O-N 3.15Å; L356-T360 PolarHBondContact O-OG1 3.47Å; T360-A362 VanDerWaalsContact C-N 3.34Å; T360-A362 PolarHBondContact O-N 3.43Å; T360-N363 PolarHBondContact O-N 2.76Å; T360-L364 HydrophobicContact CG2-CD1 4.25Å; T360-L364 WeakPolarHBondContact O-CG 3.46Å; T360-L364 PolarHBondContact O-N 3.37Å
361N34.7Very low38.5Very low103 Ų103116 Ų11655%0.55160%0.603SS**Hα-helixtrans-67.7-33.1176.6-80.8-17.8000112.9F357 L365F357-N361 PolarHBondContact O-N 3.17Å; N361-L365 PolarHBondContact O-N 2.72Å
362A38.8Very low38.3Very low60 Ų60115 Ų11550%0.49660%0.603SS.*Hα-helixtrans-69-38.9176.700000112.5S359 T360 S366S359-A362 PolarHBondContact O-N 3.11Å; T360-A362 VanDerWaalsContact C-N 3.34Å; T360-A362 PolarHBondContact O-N 3.43Å; A362-S366 PolarHBondContact O-N 3.02Å
363N40.1Very low38.2Very low109 Ų109116.4 Ų116.458%0.58361%0.612SS**Hα-helixtrans-76.5-27.6-179.5-78.2-15000113.7S359 T360 S366 S367S359-N363 PolarHBondContact O-N 3.32Å; T360-N363 PolarHBondContact O-N 2.76Å; N363-S366 PolarHBondContact O-OG 2.69Å; N363-S366 VanDerWaalsContact O-OG 3.08Å; N363-S367 PolarHBondContact O-OG 3.49Å
364L36.3Very low38.4Very low106 Ų106119.2 Ų119.256%0.55562%0.623SS**Hα-helixtrans-73.8-34175.9-69.8175.1000112.2T360 S367T360-L364 HydrophobicContact CG2-CD1 4.25Å; T360-L364 WeakPolarHBondContact O-CG 3.46Å; T360-L364 PolarHBondContact O-N 3.37Å; L364-S367 PolarHBondContact O-N 3.22Å
365L35.7Very low38.6Very low138 Ų138121.4 Ų121.472%0.72364%0.635SS**Hα-helixtrans-72.1-32176.9-84.1159.7000113.2N361 S367N361-L365 PolarHBondContact O-N 2.72Å; L365-S367 PolarHBondContact O-N 2.84Å
366S39.8Very low38.5Very low73 Ų73121.2 Ų121.251%0.5164%0.641SS.*Hα-helixtrans-73.1-17.1174.959.70000113.5A362 N363 W368A362-S366 PolarHBondContact O-N 3.02Å; N363-S366 PolarHBondContact O-OG 2.69Å; N363-S366 VanDerWaalsContact O-OG 3.08Å; S366-W368 VanDerWaalsContact C-N 3.3Å; S366-W368 PolarHBondContact O-N 3.15Å
367S39.4Very low39Very low85 Ų85124.7 Ų124.759%0.59465%0.654SS**THydrogen-bonded Turntrans-80.3-6.4-179.4-55.80000113.8N363 L364 L365N363-S367 PolarHBondContact O-OG 3.49Å; L364-S367 PolarHBondContact O-N 3.22Å; L365-S367 PolarHBondContact O-N 2.84Å
368W31Very low39.1Very low223 Ų223125.3 Ų125.385%0.84566%0.664SS**THydrogen-bonded Turntrans-98.8-4-173.9-89.856.8000115.5S366S366-W368 VanDerWaalsContact C-N 3.3Å; S366-W368 PolarHBondContact O-N 3.15Å
369T37Very low39.2Very low117 Ų117126.7 Ų126.772%0.71867%0.671SS**SBendtrans-102.319-173.2530000115.1
370T36.2Very low39.4Very low107 Ų107129.5 Ų129.566%0.65669%0.69SS**  trans-14254176.7-38.70000112.9K372T370-K372 HydrophobicContact CG2-CG 4.46Å
371Y33.8Very low39.7Very low225 Ų225135.1 Ų135.188%0.88271%0.71SS**  trans-87.8102149.1-95.1-89.8000107.1T373Y371-T373 PolarHBondContact O-N 3.45Å
372K38.2Very low39.9Very low153 Ų153141 Ų14167%0.66573%0.726SS**  trans-59.1130.3170.2-71.3-169.4171.3-166.10108.2T370 D374T370-K372 HydrophobicContact CG2-CG 4.46Å; K372-D374 HydrophobicContact CB-CB 4.43Å; K372-D374 PolarHBondContact O-N 3.08Å
373T44.8Very low40.1Very low122 Ų122149.8 Ų149.875%0.74877%0.765SS**G310 helixtrans-67.912.1174.337.30000113.8Y371 D375Y371-T373 PolarHBondContact O-N 3.45Å; T373-D375 VanDerWaalsContact C-N 3.34Å; T373-D375 PolarHBondContact O-N 3.11Å
374D44.5Very low40.1Very low113 Ų113151.9 Ų151.960%0.60477%0.774SS**G310 helixtrans-84.4-4.5-167.6-62.9-16.5000113.7K372K372-D374 HydrophobicContact CB-CB 4.43Å; K372-D374 PolarHBondContact O-N 3.08Å
375D43.9Very low40.3Very low156 Ų156154.3 Ų154.383%0.83479%0.785SS**G310 helixtrans-111.318.5-175.9-69-19.2000114.2T373T373-D375 VanDerWaalsContact C-N 3.34Å; T373-D375 PolarHBondContact O-N 3.11Å
376L41.5Very low40.6Very low162 Ų162155.2 Ų155.285%0.84879%0.789SS**  trans-109.912.6178.9-78.4169.8000114.9
377E43Very low40.6Very low184 Ų184160 Ų16086%0.8681%0.805SS**  trans-106.873.1171.7-68.1-174.9178.300110.5
378D41.5Very low40.7Very low148 Ų148164.7 Ų164.779%0.79182%0.818SS**  trans-172.771.2156.2-102.9-15.5000110.3
379D42.9Very low41.3Very low154 Ų154160.8 Ų160.882%0.82482%0.816SS**  trans-130.174.4156.2-91.1-29.9000108F381D379-F381 PolarHBondContact O-N 3.27Å
380S45.3Very low41.7Very low116 Ų116163.9 Ų163.981%0.81182%0.823SS**  trans-58.280.2152.3550000108.9
381F44.6Very low42.1Very low183 Ų183168.3 Ų168.380%0.80384%0.836SS**  trans-11438.5170-155.9-96.1000110.9D379D379-F381 PolarHBondContact O-N 3.27Å
382Y40.8Very low42.8Very low227 Ų227163.6 Ų163.689%0.8983%0.832SS**  trans-12989164.1-72-78.1000107.6
383D42.3Very low43.2Very low245 Ų245164.5 Ų164.5100%1.3185%0.848SS**  trans-146.80152.5-103-14.7000108.8

Retrieved 383 of 383 residues in 142.6 ms (Link to these results)

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