A0A087WRS3_MOUSE Loading...

Abl interactor 2

AlphaFold DB , UniProt , Accession A0A087WRS3, Species MOUSE (Mus musculus, Mouse), Gene Abi2, Length 458 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
1M89.4Confident95.7Very high163 Ų16385.9 Ų85.980%0.80344%0.438SS*.  0-54.10-71.9-54.8-73.800110.7E3 L4 Q5 Q82M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 2.65Å; M1-L4 PolarHBondContact O-N 2.8Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-Q5 PolarHBondContact O-N 2.93Å; M1-Q82 PolarHBondContact SD-NE2 2.73Å
2A93.6Very high95.9Very high79 Ų7980.6 Ų80.665%0.65341%0.411SS*.Hα-helixtrans-53.4-45.8177.700000113.3L4 Q5 M6A2-L4 PolarHBondContact O-N 3.1Å; A2-Q5 WeakPolarHBondContact O-CB 3.46Å; A2-Q5 PolarHBondContact O-N 3.48Å; A2-M6 PolarHBondContact O-N 3.45Å
3E94.3Very high96.1Very high90 Ų9076.8 Ų76.842%0.42140%0.395SS..Hα-helixtrans-61.4-43.2177.3-170.6179.4-17600113.1M1 Q5 M6 L7 Q74 I78M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 2.65Å; E3-Q5 VanDerWaalsContact C-N 3.31Å; E3-Q5 PolarHBondContact O-N 3.02Å; E3-M6 PolarHBondContact O-N 2.94Å; E3-L7 HydrophobicContact CG-CD1 4.42Å; E3-L7 WeakPolarHBondContact O-CG 3.48Å; E3-L7 PolarHBondContact O-N 3.22Å; E3-Q74 PolarHBondContact OE1-NE2 3.25Å; E3-I78 HydrophobicContact CB-CD1 4.29Å; E3-I78 HydrophobicContact CG-CD1 3.84Å
4L95.8Very high96.2Very high13 Ų1373.2 Ų73.27%0.06839%0.386CS..Hα-helixtrans-63.7-38.2175.7-177.363.7000111.9M1 A2 L7 L8 M75 I78 Q79M1-L4 PolarHBondContact O-N 2.8Å; M1-L4 VanDerWaalsContact O-N 3.16Å; A2-L4 PolarHBondContact O-N 3.1Å; L4-L7 PolarHBondContact O-N 3.49Å; L4-L8 HydrophobicContact CD1-CD1 4.18Å; L4-L8 HydrophobicContact CD1-CG 4.37Å; L4-L8 HydrophobicContact CG-CD1 3.96Å; L4-L8 WeakPolarHBondContact O-CB 3.33Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.31Å; L4-L8 PolarHBondContact O-N 3.06Å; L4-M75 HydrophobicContact CD1-CB 4.41Å; L4-M75 HydrophobicContact CD1-CG 3.68Å; L4-I78 HydrophobicContact CB-CG2 3.99Å; L4-I78 HydrophobicContact CD1-CB 4.47Å; L4-I78 HydrophobicContact CD1-CG2 4.32Å; L4-I78 HydrophobicContact CD2-CG2 4.31Å; L4-I78 HydrophobicContact CG-CG2 4.44Å; L4-Q79 HydrophobicContact CD1-CG 4.17Å; L4-Q79 HydrophobicContact CD2-CG 4.35Å
5Q96.4Very high96.3Very high107 Ų10769.6 Ų69.650%0.537%0.374SS..Hα-helixtrans-66.3-46.8178.2-177173.1-2.900111.1M1 A2 E3 L7 L8 E9M1-Q5 PolarHBondContact O-N 2.93Å; A2-Q5 WeakPolarHBondContact O-CB 3.46Å; A2-Q5 PolarHBondContact O-N 3.48Å; E3-Q5 VanDerWaalsContact C-N 3.31Å; E3-Q5 PolarHBondContact O-N 3.02Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; Q5-L7 PolarHBondContact O-N 3.22Å; Q5-L8 PolarHBondContact O-N 3.5Å; Q5-E9 HydrophobicContact CG-CG 4.19Å; Q5-E9 VanDerWaalsContact CG-OE2 3.26Å; Q5-E9 WeakPolarHBondContact CG-OE2 3.34Å; Q5-E9 PolarHBondContact NE2-OE2 3.07Å; Q5-E9 WeakPolarHBondContact O-CB 3.46Å; Q5-E9 PolarHBondContact O-N 2.82Å
6M97.1Very high96.4Very high79 Ų7976.1 Ų76.139%0.38939%0.391SS..Hα-helixtrans-57.5-44.4175-178.5-178.167.300111.8A2 E3 L8 E10 E11A2-M6 PolarHBondContact O-N 3.45Å; E3-M6 PolarHBondContact O-N 2.94Å; M6-L8 PolarHBondContact O-N 3.27Å; M6-E10 WeakPolarHBondContact O-CA 3.3Å; M6-E10 WeakPolarHBondContact O-CB 3.07Å; M6-E10 PolarHBondContact O-N 3.49Å; M6-E11 HydrophobicContact CG-CG 4.1Å; M6-E11 PolarHBondContact O-N 2.88Å
7L97.5Very high96.5Very high0 Ų080.6 Ų80.60%040%0.402CS..Iπ-helixtrans-60.6-45.4175.8-76.7164.7000112.3E3 L4 Q5 E11 I12 N71 Q74 M75 I78E3-L7 HydrophobicContact CG-CD1 4.42Å; E3-L7 WeakPolarHBondContact O-CG 3.48Å; E3-L7 PolarHBondContact O-N 3.22Å; L4-L7 PolarHBondContact O-N 3.49Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; Q5-L7 PolarHBondContact O-N 3.22Å; L7-E11 HydrophobicContact CD2-CB 4.44Å; L7-E11 WeakPolarHBondContact CD2-OE2 3.49Å; L7-I12 HydrophobicContact CB-CD1 4.29Å; L7-I12 WeakPolarHBondContact O-CB 3.29Å; L7-I12 VanDerWaalsContact O-CG1 3.28Å; L7-I12 WeakPolarHBondContact O-CG1 3.27Å; L7-I12 PolarHBondContact O-N 2.88Å; L7-N71 HydrophobicContact CD2-CB 3.69Å; L7-Q74 HydrophobicContact CD1-CB 4.25Å; L7-Q74 HydrophobicContact CD1-CG 3.95Å; L7-M75 HydrophobicContact CD1-CB 4.25Å; L7-I78 HydrophobicContact CD1-CD1 3.92Å
8L96.9Very high96.6Very high85 Ų8578.1 Ų78.145%0.44540%0.396SS..Iπ-helixtrans-74-39.3-176.7-75.5172.1000113.8L4 Q5 M6 P13 M75L4-L8 HydrophobicContact CD1-CD1 4.18Å; L4-L8 HydrophobicContact CD1-CG 4.37Å; L4-L8 HydrophobicContact CG-CD1 3.96Å; L4-L8 WeakPolarHBondContact O-CB 3.33Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.31Å; L4-L8 PolarHBondContact O-N 3.06Å; Q5-L8 PolarHBondContact O-N 3.5Å; M6-L8 PolarHBondContact O-N 3.27Å; L8-P13 WeakPolarHBondContact O-CD 3.46Å; L8-P13 WeakPolarHBondContact O-CG 3.39Å; L8-M75 HydrophobicContact CD2-CG 4.38Å; L8-M75 HydrophobicContact CD2-SD 3.48Å; L8-M75 WeakPolarHBondContact CD2-SD 3.37Å; L8-M75 HydrophobicContact CG-SD 4.3Å
9E97.1Very high96.6Very high122 Ų12277.2 Ų77.257%0.5739%0.392SS*.Iπ-helixtrans-94-32-170.8-65.1-177.5168.100112.5Q5Q5-E9 HydrophobicContact CG-CG 4.19Å; Q5-E9 VanDerWaalsContact CG-OE2 3.26Å; Q5-E9 WeakPolarHBondContact CG-OE2 3.34Å; Q5-E9 PolarHBondContact NE2-OE2 3.07Å; Q5-E9 WeakPolarHBondContact O-CB 3.46Å; Q5-E9 PolarHBondContact O-N 2.82Å
10E96.9Very high96.7Very high136 Ų13680.2 Ų80.264%0.63640%0.402SS*.Iπ-helixtrans-119.1-62.5-170.8-60.8-172.8170.200112.7M6 G14M6-E10 WeakPolarHBondContact O-CA 3.3Å; M6-E10 WeakPolarHBondContact O-CB 3.07Å; M6-E10 PolarHBondContact O-N 3.49Å; E10-G14 WeakPolarHBondContact O-CA 3.44Å; E10-G14 PolarHBondContact O-N 2.97Å
11E97.6Very high96.8Very high71 Ų7180.4 Ų80.433%0.33241%0.405SS..Iπ-helixtrans-73.5-46.7-164.6-63.6-174.7138.900113.5M6 L7 G14 G15M6-E11 HydrophobicContact CG-CG 4.1Å; M6-E11 PolarHBondContact O-N 2.88Å; L7-E11 HydrophobicContact CD2-CB 4.44Å; L7-E11 WeakPolarHBondContact CD2-OE2 3.49Å; E11-G14 PolarHBondContact O-N 3.32Å; E11-G15 PolarHBondContact O-N 3.24Å
12I98.1Very high97.2Very high22 Ų2273.3 Ų73.311%0.11337%0.371CS..Hα-helixtrans-68.6-48.1178.5-65.2171000110.5L7 G14 G15 R16 L68 N71 V72 M75L7-I12 HydrophobicContact CB-CD1 4.29Å; L7-I12 WeakPolarHBondContact O-CB 3.29Å; L7-I12 VanDerWaalsContact O-CG1 3.28Å; L7-I12 WeakPolarHBondContact O-CG1 3.27Å; L7-I12 PolarHBondContact O-N 2.88Å; I12-G14 VanDerWaalsContact C-N 3.3Å; I12-G14 PolarHBondContact O-N 2.92Å; I12-G15 PolarHBondContact O-N 2.93Å; I12-R16 WeakPolarHBondContact O-CB 3.12Å; I12-R16 VanDerWaalsContact O-CG 3.27Å; I12-R16 WeakPolarHBondContact O-CG 3.16Å; I12-R16 PolarHBondContact O-N 3.48Å; I12-L68 HydrophobicContact CB-CD1 4.33Å; I12-L68 HydrophobicContact CG1-CD1 4.49Å; I12-L68 HydrophobicContact CG2-CD1 3.96Å; I12-N71 HydrophobicContact CG1-CB 3.94Å; I12-V72 HydrophobicContact CD1-CG2 4.16Å; I12-V72 HydrophobicContact CG1-CG2 4.43Å; I12-V72 HydrophobicContact CG2-CG2 4.44Å; I12-M75 HydrophobicContact CD1-CB 4.07Å; I12-M75 HydrophobicContact CD1-CE 4.25Å; I12-M75 HydrophobicContact CD1-CG 4.37Å; I12-M75 HydrophobicContact CD1-SD 3.61Å
13P98.4Very high97.3Very high31 Ų3176.6 Ų76.620%0.20137%0.368CS..Hα-helixtrans-59.9-39.4173.1-24.635.6000112.8L8 R16 R17L8-P13 WeakPolarHBondContact O-CD 3.46Å; L8-P13 WeakPolarHBondContact O-CG 3.39Å; P13-R16 PolarHBondContact O-N 3.37Å; P13-R17 WeakPolarHBondContact O-CG 3.41Å; P13-R17 PolarHBondContact O-N 3.46Å; P13-R17 PolarHBondContact O-NH1 3.44Å
14G98Very high97.5Very high27 Ų2774.4 Ų74.428%0.27836%0.361SS..Hα-helixtrans-61.2-51.717600000112.2E10 E11 I12 R16 R17 A18E10-G14 WeakPolarHBondContact O-CA 3.44Å; E10-G14 PolarHBondContact O-N 2.97Å; E11-G14 PolarHBondContact O-N 3.32Å; I12-G14 VanDerWaalsContact C-N 3.3Å; I12-G14 PolarHBondContact O-N 2.92Å; G14-R16 VanDerWaalsContact C-N 3.31Å; G14-R16 PolarHBondContact O-N 3.03Å; G14-R17 PolarHBondContact O-N 2.94Å; G14-A18 PolarHBondContact O-N 3.27Å
15G97.6Very high97.6Very high19 Ų1977.2 Ų77.220%0.19638%0.376CS..Hα-helixtrans-60.8-38.2176.400000112.7E11 I12 A18 L19E11-G15 PolarHBondContact O-N 3.24Å; I12-G15 PolarHBondContact O-N 2.93Å; G15-A18 PolarHBondContact O-N 2.91Å; G15-L19 PolarHBondContact O-N 3.01Å
16R98.3Very high97.6Very high174 Ų17474.6 Ų74.666%0.65737%0.365SS*.Hα-helixtrans-64.4-42173.8-74178.969.4-163.70.5112.7I12 P13 G14 L19 F20 L68I12-R16 WeakPolarHBondContact O-CB 3.12Å; I12-R16 VanDerWaalsContact O-CG 3.27Å; I12-R16 WeakPolarHBondContact O-CG 3.16Å; I12-R16 PolarHBondContact O-N 3.48Å; P13-R16 PolarHBondContact O-N 3.37Å; G14-R16 VanDerWaalsContact C-N 3.31Å; G14-R16 PolarHBondContact O-N 3.03Å; R16-L19 WeakPolarHBondContact O-CB 3.38Å; R16-L19 PolarHBondContact O-N 3.28Å; R16-F20 PolarHBondContact O-N 2.95Å; R16-F20 VanDerWaalsContact O-N 3.11Å; R16-L68 HydrophobicContact CG-CD1 4.16Å; R16-L68 HydrophobicContact CG-CD2 3.83Å
17R98.1Very high97.7Very high152 Ų15275.9 Ų75.957%0.57437%0.37SS*.Hα-helixtrans-63.7-45.2174.2-71.1-177.4-150.198.2-3110.9P13 G14 L19 F20 D21P13-R17 WeakPolarHBondContact O-CG 3.41Å; P13-R17 PolarHBondContact O-N 3.46Å; P13-R17 PolarHBondContact O-NH1 3.44Å; G14-R17 PolarHBondContact O-N 2.94Å; R17-L19 VanDerWaalsContact C-N 3.25Å; R17-L19 PolarHBondContact O-N 3.43Å; R17-F20 CarbonylContact O-C 3.48Å; R17-F20 WeakPolarHBondContact O-CA 3.41Å; R17-F20 WeakPolarHBondContact O-CB 3.3Å; R17-F20 PolarHBondContact O-N 3.34Å; R17-D21 VanDerWaalsContact O-CG 3.31Å; R17-D21 PolarHBondContact O-N 3.39Å
18A97.6Very high97.7Very high35 Ų3583.5 Ų83.529%0.28940%0.399SS..Hα-helixtrans-59.5-36.1176.600000112.6G14 G15 D21 S22 L64G14-A18 PolarHBondContact O-N 3.27Å; G15-A18 PolarHBondContact O-N 2.91Å; A18-D21 PolarHBondContact O-N 3.17Å; A18-S22 WeakPolarHBondContact O-CB 3.42Å; A18-S22 PolarHBondContact O-N 2.76Å; A18-L64 HydrophobicContact CB-CD2 4.06Å
19L97.6Very high97.8Very high61 Ų6181.4 Ų81.432%0.31939%0.389SS..Hα-helixtrans-64.4-41.3173.1-138.281.7000112.1G15 R16 R17 S22 Y23 L64 I65G15-L19 PolarHBondContact O-N 3.01Å; R16-L19 WeakPolarHBondContact O-CB 3.38Å; R16-L19 PolarHBondContact O-N 3.28Å; R17-L19 VanDerWaalsContact C-N 3.25Å; R17-L19 PolarHBondContact O-N 3.43Å; L19-S22 WeakPolarHBondContact O-CB 3.49Å; L19-S22 PolarHBondContact O-N 2.8Å; L19-Y23 PolarHBondContact O-N 2.94Å; L19-L64 HydrophobicContact CD1-CB 3.48Å; L19-L64 VanDerWaalsContact CD1-CB 3.48Å; L19-L64 HydrophobicContact CD1-CD1 4.42Å; L19-I65 HydrophobicContact CD1-CG1 4.03Å
20F98.1Very high97.8Very high137 Ų13778.2 Ų78.260%0.60138%0.384SS*.Hα-helixtrans-68.2-41.2176.7-174.1-93.1000112R16 R17 S22 Y23 T24R16-F20 PolarHBondContact O-N 2.95Å; R16-F20 VanDerWaalsContact O-N 3.11Å; R17-F20 CarbonylContact O-C 3.48Å; R17-F20 WeakPolarHBondContact O-CA 3.41Å; R17-F20 WeakPolarHBondContact O-CB 3.3Å; R17-F20 PolarHBondContact O-N 3.34Å; F20-S22 VanDerWaalsContact C-N 3.31Å; F20-S22 PolarHBondContact O-N 3.16Å; F20-Y23 WeakPolarHBondContact O-CB 3.37Å; F20-Y23 PolarHBondContact O-N 3.27Å; F20-T24 HydrophobicContact CE1-CG2 4.21Å; F20-T24 PolarHBondContact O-N 2.88Å
21D97.6Very high97.9Very high86 Ų8675.7 Ų75.746%0.4638%0.375SS..Hα-helixtrans-62.3-42.9174.3-64.7-21.4000110.1R17 A18 Y23 T24 N25R17-D21 VanDerWaalsContact O-CG 3.31Å; R17-D21 PolarHBondContact O-N 3.39Å; A18-D21 PolarHBondContact O-N 3.17Å; D21-Y23 VanDerWaalsContact C-N 3.31Å; D21-Y23 PolarHBondContact O-N 2.74Å; D21-T24 PolarHBondContact O-N 3.35Å; D21-T24 PolarHBondContact O-OG1 3.37Å; D21-N25 WeakPolarHBondContact O-CB 3.43Å; D21-N25 PolarHBondContact O-N 2.99Å; D21-N25 PolarHBondContact O-ND2 2.91Å; D21-N25 PolarHBondContact O-OD1 2.8Å
22S97.9Very high97.9Very high14 Ų1477.3 Ų77.310%0.09838%0.379CS..Hα-helixtrans-55.7-44.5173.8-175.50000111.7A18 L19 F20 T24 N25 L26A18-S22 WeakPolarHBondContact O-CB 3.42Å; A18-S22 PolarHBondContact O-N 2.76Å; L19-S22 WeakPolarHBondContact O-CB 3.49Å; L19-S22 PolarHBondContact O-N 2.8Å; F20-S22 VanDerWaalsContact C-N 3.31Å; F20-S22 PolarHBondContact O-N 3.16Å; S22-T24 PolarHBondContact O-N 2.86Å; S22-N25 PolarHBondContact O-N 3.45Å; S22-L26 WeakPolarHBondContact O-CB 3.32Å; S22-L26 WeakPolarHBondContact O-CG 3.38Å; S22-L26 PolarHBondContact O-N 2.89Å
23Y97.4Very high97.9Very high148 Ų14876.8 Ų76.858%0.5838%0.377SS*.Hα-helixtrans-54.4-53.4175.1167.5-95.4000112.2L19 F20 D21 N25 L26 E27L19-Y23 PolarHBondContact O-N 2.94Å; F20-Y23 WeakPolarHBondContact O-CB 3.37Å; F20-Y23 PolarHBondContact O-N 3.27Å; D21-Y23 VanDerWaalsContact C-N 3.31Å; D21-Y23 PolarHBondContact O-N 2.74Å; Y23-N25 VanDerWaalsContact C-N 3.31Å; Y23-N25 PolarHBondContact O-N 2.98Å; Y23-L26 PolarHBondContact O-N 3.35Å; Y23-E27 PolarHBondContact O-N 3.13Å
24T97.4Very high97.9Very high44 Ų4481.2 Ų81.227%0.2740%0.395SS..Hα-helixtrans-68.4-29.3-179.566.20000113.4F20 D21 S22 R28F20-T24 HydrophobicContact CE1-CG2 4.21Å; F20-T24 PolarHBondContact O-N 2.88Å; D21-T24 PolarHBondContact O-N 3.35Å; D21-T24 PolarHBondContact O-OG1 3.37Å; S22-T24 PolarHBondContact O-N 2.86Å; T24-R28 PolarHBondContact O-N 3.39Å; T24-R28 PolarHBondContact O-NE 3.38Å
25N97.4Very high97.8Very high71 Ų7183.8 Ų83.838%0.3840%0.402SS..Hα-helixtrans-73.2-41.8178.2-68.7-16.7000111.1D21 S22 Y23 E27 R28 V29D21-N25 WeakPolarHBondContact O-CB 3.43Å; D21-N25 PolarHBondContact O-N 2.99Å; D21-N25 PolarHBondContact O-ND2 2.91Å; D21-N25 PolarHBondContact O-OD1 2.8Å; S22-N25 PolarHBondContact O-N 3.45Å; Y23-N25 VanDerWaalsContact C-N 3.31Å; Y23-N25 PolarHBondContact O-N 2.98Å; N25-E27 VanDerWaalsContact C-N 3.33Å; N25-E27 PolarHBondContact O-N 3.22Å; N25-R28 PolarHBondContact O-N 3.02Å; N25-R28 PolarHBondContact OD1-NH2 2.96Å; N25-V29 VanDerWaalsContact O-CG2 3.31Å; N25-V29 WeakPolarHBondContact O-CG2 3.34Å; N25-V29 PolarHBondContact O-N 3.14Å
26L97.9Very high97.8Very high52 Ų5284.6 Ų84.627%0.27240%0.402SS..Hα-helixtrans-67.1-34.7-179.6-70.3178000112.5S22 Y23 V29 A30 S57 V61S22-L26 WeakPolarHBondContact O-CB 3.32Å; S22-L26 WeakPolarHBondContact O-CG 3.38Å; S22-L26 PolarHBondContact O-N 2.89Å; Y23-L26 PolarHBondContact O-N 3.35Å; L26-V29 PolarHBondContact O-N 3.18Å; L26-A30 WeakPolarHBondContact O-CB 3.08Å; L26-A30 PolarHBondContact O-N 3.01Å; L26-S57 WeakPolarHBondContact CD2-OG 3.47Å; L26-V61 HydrophobicContact CD1-CG2 3.51Å
27E97.9Very high97.8Very high107 Ų10781 Ų8150%0.539%0.389SS..Hα-helixtrans-57.8-49170.8-172.2173.9-160.300110.7Y23 N25 V29 A30 D31Y23-E27 PolarHBondContact O-N 3.13Å; N25-E27 VanDerWaalsContact C-N 3.33Å; N25-E27 PolarHBondContact O-N 3.22Å; E27-V29 PolarHBondContact O-N 3.36Å; E27-A30 WeakPolarHBondContact O-CB 3.4Å; E27-A30 PolarHBondContact O-N 3.37Å; E27-D31 PolarHBondContact O-N 3.42Å
28R97.9Very high97.8Very high159 Ų15978.7 Ų78.760%0.639%0.387SS*.Hα-helixtrans-65.6-36.4176.7-68-174.7-75.1159.8-10.5113.5T24 N25 A30 Y32T24-R28 PolarHBondContact O-N 3.39Å; T24-R28 PolarHBondContact O-NE 3.38Å; N25-R28 PolarHBondContact O-N 3.02Å; N25-R28 PolarHBondContact OD1-NH2 2.96Å; R28-A30 VanDerWaalsContact C-N 3.35Å; R28-Y32 WeakPolarHBondContact O-CB 3.38Å; R28-Y32 PolarHBondContact O-N 3.03Å
29V98.1Very high97.7Very high41 Ų4184.2 Ų84.225%0.24841%0.407CS..Hα-helixtrans-67.2-38.5176.1170.20000110.6N25 L26 E27 Y32 C33 Y53N25-V29 VanDerWaalsContact O-CG2 3.31Å; N25-V29 WeakPolarHBondContact O-CG2 3.34Å; N25-V29 PolarHBondContact O-N 3.14Å; L26-V29 PolarHBondContact O-N 3.18Å; E27-V29 PolarHBondContact O-N 3.36Å; V29-Y32 PolarHBondContact O-N 3.49Å; V29-C33 WeakPolarHBondContact O-CB 3.28Å; V29-C33 PolarHBondContact O-N 2.87Å; V29-C33 PolarHBondContact O-SG 3.32Å; V29-Y53 HydrophobicContact CG1-CD1 3.94Å; V29-Y53 HydrophobicContact CG1-CG 4.02Å
30A98Very high97.7Very high55 Ų5582.3 Ų82.346%0.45540%0.398SS..Hα-helixtrans-62.6-50.5175.300000110.9L26 E27 R28 Y32 C33 E34L26-A30 WeakPolarHBondContact O-CB 3.08Å; L26-A30 PolarHBondContact O-N 3.01Å; E27-A30 WeakPolarHBondContact O-CB 3.4Å; E27-A30 PolarHBondContact O-N 3.37Å; R28-A30 VanDerWaalsContact C-N 3.35Å; A30-Y32 VanDerWaalsContact C-N 3.28Å; A30-Y32 PolarHBondContact O-N 3.1Å; A30-C33 PolarHBondContact O-N 2.85Å; A30-C33 VanDerWaalsContact O-N 3.16Å; A30-E34 PolarHBondContact O-N 2.93Å
31D98.2Very high97.5Very high84 Ų8482.1 Ų82.145%0.44941%0.411SS..Hα-helixtrans-57.9-41.8175.8-71.1-18.1000111.7E27 N35E27-D31 PolarHBondContact O-N 3.42Å; D31-N35 VanDerWaalsContact O-CB 3.29Å; D31-N35 WeakPolarHBondContact O-CB 3.31Å; D31-N35 VanDerWaalsContact O-CG 3.3Å; D31-N35 PolarHBondContact O-N 3.25Å; D31-N35 PolarHBondContact O-ND2 3.44Å
32Y98.1Very high97.5Very high105 Ų10581.9 Ų81.941%0.41241%0.41SS..Hα-helixtrans-62.7-46.9176.7171-98.3000111.8R28 V29 A30 E34 N35 N36 Y53R28-Y32 WeakPolarHBondContact O-CB 3.38Å; R28-Y32 PolarHBondContact O-N 3.03Å; V29-Y32 PolarHBondContact O-N 3.49Å; A30-Y32 VanDerWaalsContact C-N 3.28Å; A30-Y32 PolarHBondContact O-N 3.1Å; Y32-E34 VanDerWaalsContact C-N 3.32Å; Y32-E34 PolarHBondContact O-N 3.4Å; Y32-N35 PolarHBondContact O-N 3.47Å; Y32-N36 HydrophobicContact CE1-CB 4.37Å; Y32-N36 HydrophobicContact CE2-CB 4.42Å; Y32-N36 WeakPolarHBondContact O-CB 2.85Å; Y32-N36 PolarHBondContact O-N 3.26Å; Y32-Y53 HydrophobicContact CD1-CE2 4.3Å; Y32-Y53 AromaticContact CE1-CE2 3.83Å; Y32-Y53 HydrophobicContact CE1-CE2 3.83Å
33C97.9Very high97.4Very high10 Ų1085 Ų857%0.06842%0.422CS..Hα-helixtrans-61.4-42.7-179.7-71.50000111.4V29 A30 Y37 T50V29-C33 WeakPolarHBondContact O-CB 3.28Å; V29-C33 PolarHBondContact O-N 2.87Å; V29-C33 PolarHBondContact O-SG 3.32Å; A30-C33 PolarHBondContact O-N 2.85Å; A30-C33 VanDerWaalsContact O-N 3.16Å; C33-Y37 VanDerWaalsContact O-CB 3.3Å; C33-Y37 WeakPolarHBondContact O-CB 3.5Å; C33-Y37 PolarHBondContact O-N 3.33Å; C33-T50 HydrophobicContact CB-CG2 3.78Å
34E97.7Very high97.4Very high125 Ų12584.2 Ų84.258%0.58442%0.423SS*.Hα-helixtrans-64.5-50.8176.9-175.2172.4-174.500111.4A30 Y32 N36 Y37 I38A30-E34 PolarHBondContact O-N 2.93Å; Y32-E34 VanDerWaalsContact C-N 3.32Å; Y32-E34 PolarHBondContact O-N 3.4Å; E34-N36 PolarHBondContact O-N 3.01Å; E34-Y37 PolarHBondContact O-N 2.89Å; E34-I38 HydrophobicContact CG-CD1 3.99Å; E34-I38 WeakPolarHBondContact O-CG1 3.18Å; E34-I38 PolarHBondContact O-N 2.88Å
35N97.9Very high97.3Very high80 Ų8090.3 Ų90.343%0.42844%0.441SS..Hα-helixtrans-63.3-42.1180-75.6-53.6000112.5D31 Y32 Y37 I38 Q39D31-N35 VanDerWaalsContact O-CB 3.29Å; D31-N35 WeakPolarHBondContact O-CB 3.31Å; D31-N35 VanDerWaalsContact O-CG 3.3Å; D31-N35 PolarHBondContact O-N 3.25Å; D31-N35 PolarHBondContact O-ND2 3.44Å; Y32-N35 PolarHBondContact O-N 3.47Å; N35-Y37 VanDerWaalsContact C-N 3.32Å; N35-Y37 PolarHBondContact O-N 2.9Å; N35-I38 PolarHBondContact O-N 3.45Å; N35-Q39 WeakPolarHBondContact O-CB 3.23Å; N35-Q39 VanDerWaalsContact O-CG 3.27Å; N35-Q39 WeakPolarHBondContact O-CG 3.04Å; N35-Q39 PolarHBondContact O-N 2.96Å
36N97.6Very high97.3Very high36 Ų3687 Ų8719%0.19342%0.424CS..Hα-helixtrans-62.6-41.7176-174.445.1000110.7Y32 E34 I38 S40 E49Y32-N36 HydrophobicContact CE1-CB 4.37Å; Y32-N36 HydrophobicContact CE2-CB 4.42Å; Y32-N36 WeakPolarHBondContact O-CB 2.85Å; Y32-N36 PolarHBondContact O-N 3.26Å; E34-N36 PolarHBondContact O-N 3.01Å; N36-I38 PolarHBondContact O-N 3.03Å; N36-S40 WeakPolarHBondContact O-CB 3.28Å; N36-S40 PolarHBondContact O-N 3.47Å; N36-E49 PolarHBondContact ND2-OE2 3.45Å; N36-E49 VanDerWaalsContact ND2-OE2 3.13Å
37Y97.6Very high97.2Very high98 Ų9887.7 Ų87.738%0.38443%0.427SS..Hα-helixtrans-63.7-41.4175.5-172.8-95000112C33 E34 N35 K43 A46 L47C33-Y37 VanDerWaalsContact O-CB 3.3Å; C33-Y37 WeakPolarHBondContact O-CB 3.5Å; C33-Y37 PolarHBondContact O-N 3.33Å; E34-Y37 PolarHBondContact O-N 2.89Å; N35-Y37 VanDerWaalsContact C-N 3.32Å; N35-Y37 PolarHBondContact O-N 2.9Å; Y37-K43 HydrophobicContact CD1-CD 4.49Å; Y37-K43 HydrophobicContact CD2-CD 4.47Å; Y37-K43 HydrophobicContact CE1-CD 4.18Å; Y37-K43 HydrophobicContact CE2-CB 3.84Å; Y37-K43 HydrophobicContact CE2-CD 4.15Å; Y37-K43 HydrophobicContact CE2-CG 4.45Å; Y37-K43 WeakPolarHBondContact CE2-O 3.34Å; Y37-K43 WeakPolarHBondContact O-CD 3.47Å; Y37-K43 WeakPolarHBondContact O-CE 3.07Å; Y37-K43 PolarHBondContact O-NZ 3.45Å; Y37-A46 HydrophobicContact CD2-CB 3.95Å; Y37-L47 HydrophobicContact CE2-CB 4.18Å
38I97.1Very high97.2Very high104 Ų10487.7 Ų87.753%0.53343%0.427SS..Hα-helixtrans-66.3-47.1178.4-66.6165.5000111.2E34 N35 N36 K43E34-I38 HydrophobicContact CG-CD1 3.99Å; E34-I38 WeakPolarHBondContact O-CG1 3.18Å; E34-I38 PolarHBondContact O-N 2.88Å; N35-I38 PolarHBondContact O-N 3.45Å; N36-I38 PolarHBondContact O-N 3.03Å; I38-K43 PolarHBondContact O-NZ 3.03Å
39Q96.2Very high97.2Very high152 Ų15282.8 Ų82.871%0.7141%0.411SS*.Hα-helixtrans-78.9-27.2-173.7-65.2173.834.700113.6N35N35-Q39 WeakPolarHBondContact O-CB 3.23Å; N35-Q39 VanDerWaalsContact O-CG 3.27Å; N35-Q39 WeakPolarHBondContact O-CG 3.04Å; N35-Q39 PolarHBondContact O-N 2.96Å
40S96.7Very high97.2Very high20 Ų2082.4 Ų82.414%0.1441%0.409CS..  trans-69135.2-176.8-179.40000112N36 D42 K43N36-S40 WeakPolarHBondContact O-CB 3.28Å; N36-S40 PolarHBondContact O-N 3.47Å; S40-D42 VanDerWaalsContact C-N 3.33Å; S40-D42 PolarHBondContact OG-N 3.4Å; S40-D42 PolarHBondContact OG-O 2.65Å; S40-K43 WeakPolarHBondContact O-CE 3.47Å; S40-K43 PolarHBondContact O-NZ 2.93Å
41P95.3Very high97.2Very high134 Ų13484.2 Ų84.287%0.8741%0.407SS*.SBendtrans-71.9-27.7171.529.4-33.8000112.3
42D96.4Very high97.2Very high80 Ų8083 Ų8343%0.42841%0.408SS..  trans-101.8101.3175.8-174.5-14.7000109.8S40 Q44 R45 A46S40-D42 VanDerWaalsContact C-N 3.33Å; S40-D42 PolarHBondContact OG-N 3.4Å; S40-D42 PolarHBondContact OG-O 2.65Å; D42-Q44 PolarHBondContact OD1-N 3.16Å; D42-R45 HydrophobicContact CB-CB 4.25Å; D42-R45 PolarHBondContact OD1-N 3.07Å; D42-A46 PolarHBondContact O-N 2.76Å
43K96.4Very high97.2Very high80 Ų8081.6 Ų81.635%0.34840%0.403SS..Hα-helixtrans-72-31.5-179.7-59.1-52.4-174.5-160.80112.5Y37 I38 S40 A46 L47Y37-K43 HydrophobicContact CD1-CD 4.49Å; Y37-K43 HydrophobicContact CD2-CD 4.47Å; Y37-K43 HydrophobicContact CE1-CD 4.18Å; Y37-K43 HydrophobicContact CE2-CB 3.84Å; Y37-K43 HydrophobicContact CE2-CD 4.15Å; Y37-K43 HydrophobicContact CE2-CG 4.45Å; Y37-K43 WeakPolarHBondContact CE2-O 3.34Å; Y37-K43 WeakPolarHBondContact O-CD 3.47Å; Y37-K43 WeakPolarHBondContact O-CE 3.07Å; Y37-K43 PolarHBondContact O-NZ 3.45Å; I38-K43 PolarHBondContact O-NZ 3.03Å; S40-K43 WeakPolarHBondContact O-CE 3.47Å; S40-K43 PolarHBondContact O-NZ 2.93Å; K43-A46 PolarHBondContact O-N 3.47Å; K43-L47 VanDerWaalsContact O-CB 3.31Å; K43-L47 WeakPolarHBondContact O-CB 3.21Å; K43-L47 PolarHBondContact O-N 2.85Å
44Q96.6Very high97.2Very high131 Ų13185.2 Ų85.261%0.61242%0.424SS*.Hα-helixtrans-69.2-42.9-177.7-169.566.710.700110.1D42 L47 E48D42-Q44 PolarHBondContact OD1-N 3.16Å; Q44-L47 PolarHBondContact O-N 3.41Å; Q44-E48 PolarHBondContact O-N 3.25Å; Q44-E48 VanDerWaalsContact O-N 3.1Å
45R96.3Very high97.2Very high172 Ų17283.8 Ų83.865%0.64943%0.425SS*.Hα-helixtrans-65.2-44.4175.4-163.3-177.7102.1168.66.2112.2D42 L47 E48 E49D42-R45 HydrophobicContact CB-CB 4.25Å; D42-R45 PolarHBondContact OD1-N 3.07Å; R45-L47 VanDerWaalsContact C-N 3.33Å; R45-L47 PolarHBondContact O-N 3.01Å; R45-E48 PolarHBondContact O-N 3.11Å; R45-E49 PolarHBondContact O-N 3.24Å
46A96.5Very high97.2Very high2 Ų286 Ų862%0.01743%0.432CS..Hα-helixtrans-62.5-39.7178.400000112.1Y37 D42 K43 E49 T50Y37-A46 HydrophobicContact CD2-CB 3.95Å; D42-A46 PolarHBondContact O-N 2.76Å; K43-A46 PolarHBondContact O-N 3.47Å; A46-E49 PolarHBondContact O-N 3.23Å; A46-T50 PolarHBondContact O-N 2.85Å; A46-T50 PolarHBondContact O-OG1 3.4Å; A46-T50 VanDerWaalsContact O-OG1 3.06Å
47L97.1Very high97.2Very high66 Ų6685.5 Ų85.535%0.34643%0.432SS..Hα-helixtrans-63.9-42.4175.7-178.764.3000112.1Y37 K43 Q44 R45 E49 T50 K51Y37-L47 HydrophobicContact CE2-CB 4.18Å; K43-L47 VanDerWaalsContact O-CB 3.31Å; K43-L47 WeakPolarHBondContact O-CB 3.21Å; K43-L47 PolarHBondContact O-N 2.85Å; Q44-L47 PolarHBondContact O-N 3.41Å; R45-L47 VanDerWaalsContact C-N 3.33Å; R45-L47 PolarHBondContact O-N 3.01Å; L47-E49 VanDerWaalsContact C-N 3.3Å; L47-E49 PolarHBondContact O-N 2.8Å; L47-T50 WeakPolarHBondContact O-CB 3.42Å; L47-T50 PolarHBondContact O-N 2.83Å; L47-K51 WeakPolarHBondContact O-CG 3.41Å; L47-K51 PolarHBondContact O-N 3.39Å
48E97.5Very high97.3Very high107 Ų10787 Ų8750%0.545%0.445SS..Hα-helixtrans-65.4-37.1178.7-159.362.2-161.800111.5Q44 R45 K51 A52Q44-E48 PolarHBondContact O-N 3.25Å; Q44-E48 VanDerWaalsContact O-N 3.1Å; R45-E48 PolarHBondContact O-N 3.11Å; E48-K51 PolarHBondContact O-N 3.2Å; E48-K51 IonicContact OE2-NZ 2.82Å; E48-K51 PolarHBondContact OE2-NZ 3.22Å; E48-A52 PolarHBondContact O-N 2.89Å
49E97.3Very high97.3Very high57 Ų5784.9 Ų84.927%0.26644%0.444SS..Hα-helixtrans-64-42.4171.8-172.3168.3-160.200111.9N36 R45 A46 L47 K51 A52 Y53N36-E49 PolarHBondContact ND2-OE2 3.45Å; N36-E49 VanDerWaalsContact ND2-OE2 3.13Å; R45-E49 PolarHBondContact O-N 3.24Å; A46-E49 PolarHBondContact O-N 3.23Å; L47-E49 VanDerWaalsContact C-N 3.3Å; L47-E49 PolarHBondContact O-N 2.8Å; E49-K51 PolarHBondContact O-N 3.38Å; E49-A52 WeakPolarHBondContact O-CB 3.21Å; E49-A52 PolarHBondContact O-N 3.24Å; E49-Y53 HydrophobicContact CG-CD2 4.03Å; E49-Y53 HydrophobicContact CG-CE2 3.76Å; E49-Y53 VanDerWaalsContact O-CD2 3.3Å; E49-Y53 WeakPolarHBondContact O-CD2 3.27Å; E49-Y53 PolarHBondContact O-N 2.87Å
50T98Very high97.4Very high32 Ų3280.2 Ų80.220%0.19643%0.428CS..Hα-helixtrans-60.9-41.2173.1-57.40000112.4C33 A46 L47 A52 Y53 T54C33-T50 HydrophobicContact CB-CG2 3.78Å; A46-T50 PolarHBondContact O-N 2.85Å; A46-T50 PolarHBondContact O-OG1 3.4Å; A46-T50 VanDerWaalsContact O-OG1 3.06Å; L47-T50 WeakPolarHBondContact O-CB 3.42Å; L47-T50 PolarHBondContact O-N 2.83Å; T50-A52 VanDerWaalsContact C-N 3.3Å; T50-A52 PolarHBondContact O-N 3.42Å; T50-Y53 PolarHBondContact O-N 3.13Å; T50-T54 WeakPolarHBondContact O-CB 3.35Å; T50-T54 PolarHBondContact O-N 2.78Å; T50-T54 PolarHBondContact O-OG1 2.88Å
51K98.1Very high97.5Very high94 Ų9481.4 Ų81.441%0.40943%0.434SS..Hα-helixtrans-62.7-38.8174.9-70-179.5-161.7156.60111.9L47 E48 E49 T54 T55L47-K51 WeakPolarHBondContact O-CG 3.41Å; L47-K51 PolarHBondContact O-N 3.39Å; E48-K51 PolarHBondContact O-N 3.2Å; E48-K51 IonicContact OE2-NZ 2.82Å; E48-K51 PolarHBondContact OE2-NZ 3.22Å; E49-K51 PolarHBondContact O-N 3.38Å; K51-T54 PolarHBondContact O-N 3.06Å; K51-T55 WeakPolarHBondContact O-CB 3.19Å; K51-T55 PolarHBondContact O-N 2.59Å; K51-T55 PolarHBondContact O-OG1 3.48Å
52A98.2Very high97.6Very high58 Ų5877.6 Ų77.648%0.47941%0.414SS..Hα-helixtrans-61.9-49.8175.900000110.9E48 E49 T50 T54 T55 Q56E48-A52 PolarHBondContact O-N 2.89Å; E49-A52 WeakPolarHBondContact O-CB 3.21Å; E49-A52 PolarHBondContact O-N 3.24Å; T50-A52 VanDerWaalsContact C-N 3.3Å; T50-A52 PolarHBondContact O-N 3.42Å; A52-T54 VanDerWaalsContact C-N 3.31Å; A52-T54 PolarHBondContact O-N 2.83Å; A52-T55 PolarHBondContact O-N 2.95Å; A52-Q56 WeakPolarHBondContact O-CB 3.31Å; A52-Q56 PolarHBondContact O-N 2.75Å
53Y98.3Very high97.7Very high75 Ų7581.4 Ų81.429%0.29442%0.424SS..Hα-helixtrans-61.2-37.9175.2-80.5-66.1000112.7V29 Y32 E49 T50 Q56 S57V29-Y53 HydrophobicContact CG1-CD1 3.94Å; V29-Y53 HydrophobicContact CG1-CG 4.02Å; Y32-Y53 HydrophobicContact CD1-CE2 4.3Å; Y32-Y53 AromaticContact CE1-CE2 3.83Å; Y32-Y53 HydrophobicContact CE1-CE2 3.83Å; E49-Y53 HydrophobicContact CG-CD2 4.03Å; E49-Y53 HydrophobicContact CG-CE2 3.76Å; E49-Y53 VanDerWaalsContact O-CD2 3.3Å; E49-Y53 WeakPolarHBondContact O-CD2 3.27Å; E49-Y53 PolarHBondContact O-N 2.87Å; T50-Y53 PolarHBondContact O-N 3.13Å; Y53-Q56 PolarHBondContact O-N 2.89Å; Y53-S57 VanDerWaalsContact O-CB 3.23Å; Y53-S57 WeakPolarHBondContact O-CB 3.45Å; Y53-S57 PolarHBondContact O-N 2.95Å; Y53-S57 PolarHBondContact O-OG 2.97Å
54T98.1Very high97.8Very high86 Ų8679.2 Ų79.253%0.52842%0.416SS..Hα-helixtrans-63.4-45.3177.1-560000111.3T50 K51 A52 S57 L58T50-T54 WeakPolarHBondContact O-CB 3.35Å; T50-T54 PolarHBondContact O-N 2.78Å; T50-T54 PolarHBondContact O-OG1 2.88Å; K51-T54 PolarHBondContact O-N 3.06Å; A52-T54 VanDerWaalsContact C-N 3.31Å; A52-T54 PolarHBondContact O-N 2.83Å; T54-S57 PolarHBondContact O-N 2.9Å; T54-L58 PolarHBondContact O-N 3.16Å
55T98.2Very high97.9Very high96 Ų9677.3 Ų77.359%0.58941%0.409SS*.Hα-helixtrans-66.1-43.2178.8-54.80000111.2K51 A52 S57 L58 A59K51-T55 WeakPolarHBondContact O-CB 3.19Å; K51-T55 PolarHBondContact O-N 2.59Å; K51-T55 PolarHBondContact O-OG1 3.48Å; A52-T55 PolarHBondContact O-N 2.95Å; T55-S57 VanDerWaalsContact C-N 3.33Å; T55-S57 PolarHBondContact O-N 3.34Å; T55-L58 PolarHBondContact O-N 3.41Å; T55-A59 WeakPolarHBondContact O-CB 3.35Å; T55-A59 PolarHBondContact O-N 3Å
56Q98.1Very high98Very high126 Ų12673.6 Ų73.659%0.58940%0.402SS*.Hα-helixtrans-61.8-41.4175.5-173.3-177.4900111.7A52 Y53 A59 S60A52-Q56 WeakPolarHBondContact O-CB 3.31Å; A52-Q56 PolarHBondContact O-N 2.75Å; Y53-Q56 PolarHBondContact O-N 2.89Å; Q56-A59 PolarHBondContact O-N 3.28Å; Q56-S60 VanDerWaalsContact O-CB 3.28Å; Q56-S60 WeakPolarHBondContact O-CB 3.07Å; Q56-S60 PolarHBondContact O-N 3.02Å
57S98.3Very high98.1Very high25 Ų2575.7 Ų75.718%0.17541%0.414CS..Hα-helixtrans-63.2-46.1177.9-620000111.6L26 Y53 T54 T55 S60 V61L26-S57 WeakPolarHBondContact CD2-OG 3.47Å; Y53-S57 VanDerWaalsContact O-CB 3.23Å; Y53-S57 WeakPolarHBondContact O-CB 3.45Å; Y53-S57 PolarHBondContact O-N 2.95Å; Y53-S57 PolarHBondContact O-OG 2.97Å; T54-S57 PolarHBondContact O-N 2.9Å; T55-S57 VanDerWaalsContact C-N 3.33Å; T55-S57 PolarHBondContact O-N 3.34Å; S57-S60 PolarHBondContact O-N 3.49Å; S57-V61 WeakPolarHBondContact O-CG2 3.43Å; S57-V61 PolarHBondContact O-N 3.49Å
58L98Very high98.1Very high129 Ų12973.8 Ų73.868%0.67541%0.405SS*.Hα-helixtrans-60-48.3176.6179.162.4000111.5T54 T55 S60 A62T54-L58 PolarHBondContact O-N 3.16Å; T55-L58 PolarHBondContact O-N 3.41Å; L58-S60 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.02Å; L58-A62 VanDerWaalsContact O-CB 3.28Å; L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.31Å
59A98Very high98.2Very high61 Ų6170.9 Ų70.950%0.50440%0.399SS..Hα-helixtrans-62.3-41.9178.500000111.9T55 Q56 Y63T55-A59 WeakPolarHBondContact O-CB 3.35Å; T55-A59 PolarHBondContact O-N 3Å; Q56-A59 PolarHBondContact O-N 3.28Å; A59-Y63 WeakPolarHBondContact O-CB 3.29Å; A59-Y63 PolarHBondContact O-N 3.27Å
60S98.3Very high98.2Very high54 Ų5471.9 Ų71.938%0.37841%0.406SS..Hα-helixtrans-64.1-49.6179.3-179.40000112.1Q56 S57 L58 A62 Y63 L64Q56-S60 VanDerWaalsContact O-CB 3.28Å; Q56-S60 WeakPolarHBondContact O-CB 3.07Å; Q56-S60 PolarHBondContact O-N 3.02Å; S57-S60 PolarHBondContact O-N 3.49Å; L58-S60 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.02Å; S60-A62 PolarHBondContact O-N 3.27Å; S60-Y63 PolarHBondContact O-N 3.1Å; S60-L64 WeakPolarHBondContact O-CG 3.01Å; S60-L64 PolarHBondContact O-N 3.08Å
61V98.4Very high98.2Very high44 Ų4471.5 Ų71.527%0.26740%0.403SS..Hα-helixtrans-63.6-44.3179.6174.30000111L26 S57 Y63 L64 I65L26-V61 HydrophobicContact CD1-CG2 3.51Å; S57-V61 WeakPolarHBondContact O-CG2 3.43Å; S57-V61 PolarHBondContact O-N 3.49Å; V61-Y63 VanDerWaalsContact C-N 3.32Å; V61-Y63 PolarHBondContact O-N 3.02Å; V61-L64 PolarHBondContact O-N 3.15Å; V61-I65 HydrophobicContact CG1-CD1 3.7Å; V61-I65 HydrophobicContact CG1-CG1 4.3Å; V61-I65 WeakPolarHBondContact O-CG1 3.37Å; V61-I65 PolarHBondContact O-N 2.89Å
62A98.4Very high98.2Very high55 Ų5569.4 Ų69.446%0.45540%0.398SS..Hα-helixtrans-59.7-43.2177.800000111.8L58 S60 N66L58-A62 VanDerWaalsContact O-CB 3.28Å; L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.31Å; S60-A62 PolarHBondContact O-N 3.27Å; A62-N66 VanDerWaalsContact O-CB 3.26Å; A62-N66 WeakPolarHBondContact O-CB 3.19Å; A62-N66 PolarHBondContact O-N 2.91Å
63Y98.4Very high98.2Very high159 Ų15971.5 Ų71.562%0.62440%0.4SS*.Hα-helixtrans-61.6-47.6176.3176.9-99.7000112.1A59 S60 V61 I65 N66 T67A59-Y63 WeakPolarHBondContact O-CB 3.29Å; A59-Y63 PolarHBondContact O-N 3.27Å; S60-Y63 PolarHBondContact O-N 3.1Å; V61-Y63 VanDerWaalsContact C-N 3.32Å; V61-Y63 PolarHBondContact O-N 3.02Å; Y63-I65 PolarHBondContact O-N 2.95Å; Y63-N66 PolarHBondContact O-N 3.1Å; Y63-T67 WeakPolarHBondContact O-CB 3.35Å; Y63-T67 PolarHBondContact O-N 3Å; Y63-T67 PolarHBondContact O-OG1 3.3Å
64L98.1Very high98.2Very high35 Ų3571.3 Ų71.318%0.18340%0.402CS..Hα-helixtrans-64.4-41.9-178.8-65.6172.7000112.3A18 L19 S60 V61 L68A18-L64 HydrophobicContact CB-CD2 4.06Å; L19-L64 HydrophobicContact CD1-CB 3.48Å; L19-L64 VanDerWaalsContact CD1-CB 3.48Å; L19-L64 HydrophobicContact CD1-CD1 4.42Å; S60-L64 WeakPolarHBondContact O-CG 3.01Å; S60-L64 PolarHBondContact O-N 3.08Å; V61-L64 PolarHBondContact O-N 3.15Å; L64-L68 WeakPolarHBondContact O-CB 3.34Å; L64-L68 PolarHBondContact O-N 3Å
65I98.3Very high98.2Very high91 Ų9168.5 Ų68.547%0.46738%0.383SS..Hα-helixtrans-63.5-47.2175.9-67.8174.2000110.3L19 V61 Y63 T67 L68 A69L19-I65 HydrophobicContact CD1-CG1 4.03Å; V61-I65 HydrophobicContact CG1-CD1 3.7Å; V61-I65 HydrophobicContact CG1-CG1 4.3Å; V61-I65 WeakPolarHBondContact O-CG1 3.37Å; V61-I65 PolarHBondContact O-N 2.89Å; Y63-I65 PolarHBondContact O-N 2.95Å; I65-T67 PolarHBondContact O-N 3.39Å; I65-L68 PolarHBondContact O-N 3.42Å; I65-A69 VanDerWaalsContact O-CB 3.28Å; I65-A69 WeakPolarHBondContact O-CB 3.47Å; I65-A69 PolarHBondContact O-N 3.47Å
66N98.4Very high98.2Very high94 Ų9468 Ų6850%0.50338%0.376SS..Hα-helixtrans-60.7-46.7179.8178.774.4000111.5A62 Y63 L68 A69 N70A62-N66 VanDerWaalsContact O-CB 3.26Å; A62-N66 WeakPolarHBondContact O-CB 3.19Å; A62-N66 PolarHBondContact O-N 2.91Å; Y63-N66 PolarHBondContact O-N 3.1Å; N66-L68 PolarHBondContact O-N 3.37Å; N66-A69 PolarHBondContact O-N 2.93Å; N66-N70 PolarHBondContact ND2-ND2 2.89Å; N66-N70 PolarHBondContact O-N 3.12Å; N66-N70 PolarHBondContact O-ND2 2.89Å; N66-N70 PolarHBondContact OD1-ND2 3.42Å
67T98.1Very high98.2Very high45 Ų4567.3 Ų67.328%0.27638%0.377SS..Hα-helixtrans-60.6-47.6178.3-60.60000111.2Y63 I65 A69 N70 N71Y63-T67 WeakPolarHBondContact O-CB 3.35Å; Y63-T67 PolarHBondContact O-N 3Å; Y63-T67 PolarHBondContact O-OG1 3.3Å; I65-T67 PolarHBondContact O-N 3.39Å; T67-A69 PolarHBondContact O-N 2.82Å; T67-N70 PolarHBondContact O-N 3.26Å; T67-N71 VanDerWaalsContact O-CG 3.26Å; T67-N71 PolarHBondContact O-N 2.81Å; T67-N71 PolarHBondContact O-OD1 3.11Å
68L98.3Very high98.2Very high27 Ų2767.2 Ų67.214%0.14137%0.374CS..Hα-helixtrans-64.1-40179-175.461.1000112.3I12 R16 L64 I65 N66 N71 V72I12-L68 HydrophobicContact CB-CD1 4.33Å; I12-L68 HydrophobicContact CG1-CD1 4.49Å; I12-L68 HydrophobicContact CG2-CD1 3.96Å; R16-L68 HydrophobicContact CG-CD1 4.16Å; R16-L68 HydrophobicContact CG-CD2 3.83Å; L64-L68 WeakPolarHBondContact O-CB 3.34Å; L64-L68 PolarHBondContact O-N 3Å; I65-L68 PolarHBondContact O-N 3.42Å; N66-L68 PolarHBondContact O-N 3.37Å; L68-N71 PolarHBondContact O-N 2.82Å; L68-V72 VanDerWaalsContact O-CG2 3.32Å; L68-V72 WeakPolarHBondContact O-CG2 3.39Å; L68-V72 PolarHBondContact O-N 3.5Å
69A98.3Very high98.2Very high45 Ų4564.9 Ų64.937%0.37236%0.36SS..Hα-helixtrans-62.2-45.3177.500000111.7I65 N66 T67 N71 V72 L73I65-A69 VanDerWaalsContact O-CB 3.28Å; I65-A69 WeakPolarHBondContact O-CB 3.47Å; I65-A69 PolarHBondContact O-N 3.47Å; N66-A69 PolarHBondContact O-N 2.93Å; T67-A69 PolarHBondContact O-N 2.82Å; A69-N71 PolarHBondContact O-N 2.95Å; A69-V72 PolarHBondContact O-N 2.98Å; A69-L73 WeakPolarHBondContact O-CG 3.43Å; A69-L73 PolarHBondContact O-N 3.17Å
70N98.4Very high98.2Very high79 Ų7964.1 Ų64.142%0.42235%0.354SS..Hα-helixtrans-61.7-43.7176.8-76.1-66.2000111.6N66 T67 V72 L73 Q74N66-N70 PolarHBondContact ND2-ND2 2.89Å; N66-N70 PolarHBondContact O-N 3.12Å; N66-N70 PolarHBondContact O-ND2 2.89Å; N66-N70 PolarHBondContact OD1-ND2 3.42Å; T67-N70 PolarHBondContact O-N 3.26Å; N70-V72 VanDerWaalsContact C-N 3.32Å; N70-V72 PolarHBondContact O-N 3.38Å; N70-L73 PolarHBondContact O-N 3.28Å; N70-Q74 WeakPolarHBondContact O-CB 3.26Å; N70-Q74 PolarHBondContact O-N 3.43Å
71N98.1Very high98.2Very high24 Ų2462.9 Ų62.913%0.12835%0.345CS..Hα-helixtrans-62.2-39.5177.2-67.20.3000111.9L7 I12 T67 L68 A69 M75L7-N71 HydrophobicContact CD2-CB 3.69Å; I12-N71 HydrophobicContact CG1-CB 3.94Å; T67-N71 VanDerWaalsContact O-CG 3.26Å; T67-N71 PolarHBondContact O-N 2.81Å; T67-N71 PolarHBondContact O-OD1 3.11Å; L68-N71 PolarHBondContact O-N 2.82Å; A69-N71 PolarHBondContact O-N 2.95Å; N71-M75 WeakPolarHBondContact O-CB 3.35Å; N71-M75 PolarHBondContact O-N 3.25Å
72V98.3Very high98.1Very high50 Ų5062.7 Ų62.730%0.30334%0.341SS..Hα-helixtrans-66.5-43.4176170.50000111.5I12 L68 A69 N70 M75 L76I12-V72 HydrophobicContact CD1-CG2 4.16Å; I12-V72 HydrophobicContact CG1-CG2 4.43Å; I12-V72 HydrophobicContact CG2-CG2 4.44Å; L68-V72 VanDerWaalsContact O-CG2 3.32Å; L68-V72 WeakPolarHBondContact O-CG2 3.39Å; L68-V72 PolarHBondContact O-N 3.5Å; A69-V72 PolarHBondContact O-N 2.98Å; N70-V72 VanDerWaalsContact C-N 3.32Å; N70-V72 PolarHBondContact O-N 3.38Å; V72-M75 HydrophobicContact CG1-CE 4.3Å; V72-M75 WeakPolarHBondContact O-CB 3.41Å; V72-M75 PolarHBondContact O-N 2.97Å; V72-L76 HydrophobicContact CG1-CD1 4.26Å; V72-L76 WeakPolarHBondContact O-CG 3.3Å; V72-L76 PolarHBondContact O-N 2.8Å; V72-L76 VanDerWaalsContact O-N 3.08Å
73L98.3Very high98.1Very high101 Ų10165.5 Ų65.553%0.52935%0.348SS..Hα-helixtrans-61.7-46176.5-70.1174000111.3A69 N70 M75 L76 D77A69-L73 WeakPolarHBondContact O-CG 3.43Å; A69-L73 PolarHBondContact O-N 3.17Å; N70-L73 PolarHBondContact O-N 3.28Å; L73-M75 VanDerWaalsContact C-N 3.33Å; L73-M75 PolarHBondContact O-N 2.9Å; L73-L76 PolarHBondContact O-N 2.69Å; L73-L76 VanDerWaalsContact O-N 3.14Å; L73-D77 PolarHBondContact O-N 3.01Å
74Q97.9Very high98.1Very high71 Ų7165.8 Ų65.833%0.33235%0.348SS..Hα-helixtrans-59.2-42.5177-172.3177.120.800112.1E3 L7 N70 L76 D77 I78E3-Q74 PolarHBondContact OE1-NE2 3.25Å; L7-Q74 HydrophobicContact CD1-CB 4.25Å; L7-Q74 HydrophobicContact CD1-CG 3.95Å; N70-Q74 WeakPolarHBondContact O-CB 3.26Å; N70-Q74 PolarHBondContact O-N 3.43Å; Q74-L76 PolarHBondContact O-N 2.81Å; Q74-D77 PolarHBondContact O-N 3.48Å; Q74-I78 HydrophobicContact CG-CD1 4.14Å; Q74-I78 VanDerWaalsContact O-CG1 3.25Å; Q74-I78 WeakPolarHBondContact O-CG1 3.22Å; Q74-I78 PolarHBondContact O-N 2.94Å
75M97.9Very high98.1Very high27 Ų2771 Ų7113%0.13337%0.365CS..Hα-helixtrans-58.5-47.1174.5175.9-167.567.300111.7L4 L7 L8 I12 N71 V72 L73 I78 Q79L4-M75 HydrophobicContact CD1-CB 4.41Å; L4-M75 HydrophobicContact CD1-CG 3.68Å; L7-M75 HydrophobicContact CD1-CB 4.25Å; L8-M75 HydrophobicContact CD2-CG 4.38Å; L8-M75 HydrophobicContact CD2-SD 3.48Å; L8-M75 WeakPolarHBondContact CD2-SD 3.37Å; L8-M75 HydrophobicContact CG-SD 4.3Å; I12-M75 HydrophobicContact CD1-CB 4.07Å; I12-M75 HydrophobicContact CD1-CE 4.25Å; I12-M75 HydrophobicContact CD1-CG 4.37Å; I12-M75 HydrophobicContact CD1-SD 3.61Å; N71-M75 WeakPolarHBondContact O-CB 3.35Å; N71-M75 PolarHBondContact O-N 3.25Å; V72-M75 HydrophobicContact CG1-CE 4.3Å; V72-M75 WeakPolarHBondContact O-CB 3.41Å; V72-M75 PolarHBondContact O-N 2.97Å; L73-M75 VanDerWaalsContact C-N 3.33Å; L73-M75 PolarHBondContact O-N 2.9Å; M75-I78 PolarHBondContact O-N 2.65Å; M75-Q79 WeakPolarHBondContact O-CG 3.07Å; M75-Q79 PolarHBondContact O-N 2.87Å
76L98.3Very high98.1Very high86 Ų8671.9 Ų71.945%0.4537%0.368SS..Hα-helixtrans-65.7-40.7-179.8-67.8174.7000111.9V72 L73 Q74 I78 Q79 A80V72-L76 HydrophobicContact CG1-CD1 4.26Å; V72-L76 WeakPolarHBondContact O-CG 3.3Å; V72-L76 PolarHBondContact O-N 2.8Å; V72-L76 VanDerWaalsContact O-N 3.08Å; L73-L76 PolarHBondContact O-N 2.69Å; L73-L76 VanDerWaalsContact O-N 3.14Å; Q74-L76 PolarHBondContact O-N 2.81Å; L76-I78 VanDerWaalsContact C-N 3.35Å; L76-I78 PolarHBondContact O-N 3.35Å; L76-Q79 PolarHBondContact O-N 3.31Å; L76-A80 WeakPolarHBondContact O-CB 3.32Å; L76-A80 PolarHBondContact O-N 3.37Å
77D98.1Very high98.1Very high111 Ų11173.7 Ų73.759%0.59437%0.374SS*.Hα-helixtrans-62.3-42.2176.2-76.5-21.2000111.7L73 Q74 A80 S81L73-D77 PolarHBondContact O-N 3.01Å; Q74-D77 PolarHBondContact O-N 3.48Å; D77-A80 PolarHBondContact O-N 3.03Å; D77-S81 PolarHBondContact O-N 2.91Å
78I97.6Very high98.1Very high24 Ų2474.3 Ų74.312%0.12338%0.38CS..Hα-helixtrans-62.5-45.2175.6-66.6164.6000110.3E3 L4 L7 Q74 M75 L76 S81 Q82E3-I78 HydrophobicContact CB-CD1 4.29Å; E3-I78 HydrophobicContact CG-CD1 3.84Å; L4-I78 HydrophobicContact CB-CG2 3.99Å; L4-I78 HydrophobicContact CD1-CB 4.47Å; L4-I78 HydrophobicContact CD1-CG2 4.32Å; L4-I78 HydrophobicContact CD2-CG2 4.31Å; L4-I78 HydrophobicContact CG-CG2 4.44Å; L7-I78 HydrophobicContact CD1-CD1 3.92Å; Q74-I78 HydrophobicContact CG-CD1 4.14Å; Q74-I78 VanDerWaalsContact O-CG1 3.25Å; Q74-I78 WeakPolarHBondContact O-CG1 3.22Å; Q74-I78 PolarHBondContact O-N 2.94Å; M75-I78 PolarHBondContact O-N 2.65Å; L76-I78 VanDerWaalsContact C-N 3.35Å; L76-I78 PolarHBondContact O-N 3.35Å; I78-S81 PolarHBondContact O-N 3Å; I78-S81 PolarHBondContact O-OG 3.43Å; I78-Q82 WeakPolarHBondContact O-CG 3.2Å; I78-Q82 PolarHBondContact O-N 3.35Å
79Q97.8Very high98.1Very high79 Ų7976.1 Ų76.137%0.36940%0.395SS..Hα-helixtrans-62-44.1176.9-73.7-177.1-32.700112.3L4 M75 L76 S81 Q82 L83L4-Q79 HydrophobicContact CD1-CG 4.17Å; L4-Q79 HydrophobicContact CD2-CG 4.35Å; M75-Q79 WeakPolarHBondContact O-CG 3.07Å; M75-Q79 PolarHBondContact O-N 2.87Å; L76-Q79 PolarHBondContact O-N 3.31Å; Q79-S81 VanDerWaalsContact C-N 3.28Å; Q79-S81 PolarHBondContact O-N 3.07Å; Q79-Q82 WeakPolarHBondContact O-CB 3.5Å; Q79-Q82 PolarHBondContact O-N 2.77Å; Q79-Q82 VanDerWaalsContact O-N 3.1Å; Q79-L83 PolarHBondContact O-N 3.49Å
80A98Very high98.1Very high46 Ų4678.9 Ų78.938%0.3840%0.402SS..Hα-helixtrans-60.7-38.7175.600000111.7L76 D77 R84L76-A80 WeakPolarHBondContact O-CB 3.32Å; L76-A80 PolarHBondContact O-N 3.37Å; D77-A80 PolarHBondContact O-N 3.03Å; A80-R84 PolarHBondContact O-N 3.48Å; A80-R84 VanDerWaalsContact O-N 3.13Å
81S97.8Very high98.1Very high27 Ų2779.1 Ų79.119%0.18940%0.404CS..Hα-helixtrans-66.4-35.8174.4860000112.8D77 I78 Q79 R84 R85D77-S81 PolarHBondContact O-N 2.91Å; I78-S81 PolarHBondContact O-N 3Å; I78-S81 PolarHBondContact O-OG 3.43Å; Q79-S81 VanDerWaalsContact C-N 3.28Å; Q79-S81 PolarHBondContact O-N 3.07Å; S81-R84 PolarHBondContact O-N 3.49Å; S81-R85 WeakPolarHBondContact O-CG 3.41Å; S81-R85 PolarHBondContact O-N 2.86Å; S81-R85 VanDerWaalsContact O-N 3.09Å; S81-R85 PolarHBondContact O-NH1 2.84Å; S81-R85 PolarHBondContact OG-NH1 3.48Å
82Q97.4Very high98.1Very high41 Ų4183.2 Ų83.219%0.19242%0.422CS..Hα-helixtrans-65.5-44177-74.1172.1-33.700111.4M1 I78 Q79 R85 M86M1-Q82 PolarHBondContact SD-NE2 2.73Å; I78-Q82 WeakPolarHBondContact O-CG 3.2Å; I78-Q82 PolarHBondContact O-N 3.35Å; Q79-Q82 WeakPolarHBondContact O-CB 3.5Å; Q79-Q82 PolarHBondContact O-N 2.77Å; Q79-Q82 VanDerWaalsContact O-N 3.1Å; Q82-R85 PolarHBondContact O-N 2.97Å; Q82-M86 WeakPolarHBondContact O-CB 3.5Å; Q82-M86 PolarHBondContact O-N 2.96Å
83L98Very high98.1Very high113 Ų11385.5 Ų85.559%0.59243%0.431SS*.Hα-helixtrans-61.8-44.7176.2-69.5177.4000111.4Q79 R85 M86 E87Q79-L83 PolarHBondContact O-N 3.49Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.38Å; L83-M86 PolarHBondContact O-N 2.76Å; L83-M86 VanDerWaalsContact O-N 3.12Å; L83-E87 WeakPolarHBondContact O-CB 3.39Å; L83-E87 PolarHBondContact O-N 3.08Å
84R98.4Very high98.2Very high166 Ų16683.4 Ų83.463%0.62643%0.425SS*.Hα-helixtrans-57.9-41.6175.2-77.1-175.4-75.8159.5-7.4112.9A80 S81 S88A80-R84 PolarHBondContact O-N 3.48Å; A80-R84 VanDerWaalsContact O-N 3.13Å; S81-R84 PolarHBondContact O-N 3.49Å; R84-S88 PolarHBondContact O-N 3.36Å; R84-S88 VanDerWaalsContact O-N 3.09Å
85R97.9Very high98.2Very high145 Ų14584.3 Ų84.355%0.54743%0.429SS..Hα-helixtrans-68-40175.4-71.4-170.2-60.8-82-1.1112.2S81 Q82 L83 S88 S89S81-R85 WeakPolarHBondContact O-CG 3.41Å; S81-R85 PolarHBondContact O-N 2.86Å; S81-R85 VanDerWaalsContact O-N 3.09Å; S81-R85 PolarHBondContact O-NH1 2.84Å; S81-R85 PolarHBondContact OG-NH1 3.48Å; Q82-R85 PolarHBondContact O-N 2.97Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.38Å; R85-S88 PolarHBondContact O-N 3.27Å; R85-S89 PolarHBondContact O-N 2.94Å
86M98.5Very high98.2Very high108 Ų10887.6 Ų87.653%0.53245%0.451SS..Hα-helixtrans-65.2-43.5178-169.7-177.6-57.300111.3Q82 L83 S88 S89 I90Q82-M86 WeakPolarHBondContact O-CB 3.5Å; Q82-M86 PolarHBondContact O-N 2.96Å; L83-M86 PolarHBondContact O-N 2.76Å; L83-M86 VanDerWaalsContact O-N 3.12Å; M86-S88 PolarHBondContact O-N 3.4Å; M86-S89 WeakPolarHBondContact O-CB 3.42Å; M86-S89 PolarHBondContact O-N 3.32Å; M86-I90 HydrophobicContact CG-CD1 4.04Å; M86-I90 VanDerWaalsContact O-CG1 3.28Å; M86-I90 WeakPolarHBondContact O-CG1 3.49Å; M86-I90 PolarHBondContact O-N 3.39Å
87E98Very high98.3Very high133 Ų13386.8 Ų86.862%0.62145%0.449SS*.Hα-helixtrans-57.9-47.2173.6-179.3179.9-164.100111.3L83 S89 I90 N91L83-E87 WeakPolarHBondContact O-CB 3.39Å; L83-E87 PolarHBondContact O-N 3.08Å; E87-S89 VanDerWaalsContact C-N 3.33Å; E87-S89 PolarHBondContact O-N 3.48Å; E87-I90 PolarHBondContact O-N 3.14Å; E87-N91 WeakPolarHBondContact O-CB 3.37Å; E87-N91 PolarHBondContact O-N 3.42Å
88S98.5Very high98.3Very high57 Ų5786 Ų8640%0.39945%0.445SS..Hα-helixtrans-59.7-42.2174.8-177.80000112.4R84 R85 M86 N91 H92R84-S88 PolarHBondContact O-N 3.36Å; R84-S88 VanDerWaalsContact O-N 3.09Å; R85-S88 PolarHBondContact O-N 3.27Å; M86-S88 PolarHBondContact O-N 3.4Å; S88-N91 PolarHBondContact O-N 3.39Å; S88-H92 PolarHBondContact O-N 3.43Å; S88-H92 VanDerWaalsContact O-N 3.1Å; S88-H92 PolarHBondContact O-ND1 3.38Å
89S98.6Very high98.4Very high66 Ų6689.1 Ų89.146%0.46246%0.461SS..Hα-helixtrans-62.9-42.4175.6-179.40000111.9R85 M86 E87 N91 H92 I93R85-S89 PolarHBondContact O-N 2.94Å; M86-S89 WeakPolarHBondContact O-CB 3.42Å; M86-S89 PolarHBondContact O-N 3.32Å; E87-S89 VanDerWaalsContact C-N 3.33Å; E87-S89 PolarHBondContact O-N 3.48Å; S89-N91 VanDerWaalsContact C-N 3.33Å; S89-H92 PolarHBondContact O-N 3.41Å; S89-I93 WeakPolarHBondContact O-CG1 3.39Å; S89-I93 PolarHBondContact O-N 3.26Å; S89-I93 VanDerWaalsContact O-N 3.11Å
90I98.4Very high98.4Very high102 Ų10290.8 Ų90.852%0.52347%0.469SS..Hα-helixtrans-64.3-39.9176.6-69.7166.9000110.6M86 E87 H92 I93 S94M86-I90 HydrophobicContact CG-CD1 4.04Å; M86-I90 VanDerWaalsContact O-CG1 3.28Å; M86-I90 WeakPolarHBondContact O-CG1 3.49Å; M86-I90 PolarHBondContact O-N 3.39Å; E87-I90 PolarHBondContact O-N 3.14Å; I90-H92 PolarHBondContact O-N 2.92Å; I90-I93 WeakPolarHBondContact O-CB 3.46Å; I90-I93 PolarHBondContact O-N 3.44Å; I90-I93 VanDerWaalsContact O-N 3.17Å; I90-S94 PolarHBondContact O-N 3.41Å
91N98.6Very high98.4Very high85 Ų8595.3 Ų95.346%0.45548%0.48SS..Hα-helixtrans-61.9-44177.2-171.322.6000111.9E87 S88 S89 I93 S94 Q95E87-N91 WeakPolarHBondContact O-CB 3.37Å; E87-N91 PolarHBondContact O-N 3.42Å; S88-N91 PolarHBondContact O-N 3.39Å; S89-N91 VanDerWaalsContact C-N 3.33Å; N91-I93 VanDerWaalsContact C-N 3.29Å; N91-I93 PolarHBondContact O-N 2.91Å; N91-S94 WeakPolarHBondContact O-CB 3.2Å; N91-S94 PolarHBondContact O-N 3.18Å; N91-Q95 PolarHBondContact ND2-NE2 2.99Å; N91-Q95 WeakPolarHBondContact O-CG 3.38Å; N91-Q95 PolarHBondContact O-N 2.97Å; N91-Q95 PolarHBondContact OD1-NE2 2.8Å
92H98.4Very high98.5Very high109 Ų10998.2 Ų98.251%0.50549%0.49SS..Hα-helixtrans-60.8-38.8173.6-70.5108.2000112.5S88 S89 I90 T96S88-H92 PolarHBondContact O-N 3.43Å; S88-H92 VanDerWaalsContact O-N 3.1Å; S88-H92 PolarHBondContact O-ND1 3.38Å; S89-H92 PolarHBondContact O-N 3.41Å; I90-H92 PolarHBondContact O-N 2.92Å; H92-T96 WeakPolarHBondContact O-CB 3.28Å; H92-T96 PolarHBondContact O-N 3.13Å; H92-T96 PolarHBondContact O-OG1 2.91Å
93I98.6Very high98.6Very high99 Ų99102.8 Ų102.851%0.50851%0.509SS..Hα-helixtrans-64.7-45.4175.5-67165.2000110.1S89 I90 N91 Q95 T96 V97S89-I93 WeakPolarHBondContact O-CG1 3.39Å; S89-I93 PolarHBondContact O-N 3.26Å; S89-I93 VanDerWaalsContact O-N 3.11Å; I90-I93 WeakPolarHBondContact O-CB 3.46Å; I90-I93 PolarHBondContact O-N 3.44Å; I90-I93 VanDerWaalsContact O-N 3.17Å; N91-I93 VanDerWaalsContact C-N 3.29Å; N91-I93 PolarHBondContact O-N 2.91Å; I93-Q95 PolarHBondContact O-N 2.99Å; I93-T96 WeakPolarHBondContact O-CB 3.32Å; I93-T96 PolarHBondContact O-N 3.03Å; I93-V97 HydrophobicContact CG2-CG2 4.43Å; I93-V97 WeakPolarHBondContact O-CG2 3.2Å; I93-V97 PolarHBondContact O-N 3Å
94S98.8Very high98.6Very high56 Ų56100.3 Ų100.339%0.39250%0.499SS..Hα-helixtrans-56.3-52.6176.7-165.50000110.7I90 N91 T96 V97 D98I90-S94 PolarHBondContact O-N 3.41Å; N91-S94 WeakPolarHBondContact O-CB 3.2Å; N91-S94 PolarHBondContact O-N 3.18Å; S94-T96 VanDerWaalsContact C-N 3.28Å; S94-T96 PolarHBondContact O-N 3.1Å; S94-V97 CarbonylContact O-C 3.59Å; S94-V97 WeakPolarHBondContact O-CB 3.28Å; S94-V97 PolarHBondContact O-N 3.3Å; S94-D98 VanDerWaalsContact O-CG 3.23Å; S94-D98 PolarHBondContact O-N 2.86Å
95Q98.7Very high98.6Very high91 Ų9194.8 Ų94.843%0.42549%0.489SS..Hα-helixtrans-58.8-39.8177.8-68.8172.63500112.2N91 I93 V97 D98 I99N91-Q95 PolarHBondContact ND2-NE2 2.99Å; N91-Q95 WeakPolarHBondContact O-CG 3.38Å; N91-Q95 PolarHBondContact O-N 2.97Å; N91-Q95 PolarHBondContact OD1-NE2 2.8Å; I93-Q95 PolarHBondContact O-N 2.99Å; Q95-V97 VanDerWaalsContact C-N 3.33Å; Q95-V97 PolarHBondContact O-N 3.27Å; Q95-D98 PolarHBondContact O-N 3.39Å; Q95-I99 WeakPolarHBondContact O-CB 3.22Å; Q95-I99 WeakPolarHBondContact O-CD1 3.05Å; Q95-I99 WeakPolarHBondContact O-CG1 3.44Å; Q95-I99 PolarHBondContact O-N 3.41Å
96T98.8Very high98.6Very high95 Ų9595.8 Ų95.858%0.58349%0.493SS*.Hα-helixtrans-63.5-41.7176.9-59.70000111.4H92 I93 S94 H100H92-T96 WeakPolarHBondContact O-CB 3.28Å; H92-T96 PolarHBondContact O-N 3.13Å; H92-T96 PolarHBondContact O-OG1 2.91Å; I93-T96 WeakPolarHBondContact O-CB 3.32Å; I93-T96 PolarHBondContact O-N 3.03Å; S94-T96 VanDerWaalsContact C-N 3.28Å; S94-T96 PolarHBondContact O-N 3.1Å; T96-H100 VanDerWaalsContact O-CB 3.27Å; T96-H100 WeakPolarHBondContact O-CB 3.43Å; T96-H100 PolarHBondContact O-N 3.26Å
97V98.8Very high98.6Very high69 Ų6999.5 Ų99.542%0.41850%0.501SS..Hα-helixtrans-66.2-44.9175.7172.40000110.5I93 S94 Q95 H100 K101I93-V97 HydrophobicContact CG2-CG2 4.43Å; I93-V97 WeakPolarHBondContact O-CG2 3.2Å; I93-V97 PolarHBondContact O-N 3Å; S94-V97 CarbonylContact O-C 3.59Å; S94-V97 WeakPolarHBondContact O-CB 3.28Å; S94-V97 PolarHBondContact O-N 3.3Å; Q95-V97 VanDerWaalsContact C-N 3.33Å; Q95-V97 PolarHBondContact O-N 3.27Å; V97-H100 CarbonylContact O-C 3.47Å; V97-H100 WeakPolarHBondContact O-CB 3.45Å; V97-H100 PolarHBondContact O-N 3.36Å; V97-H100 VanDerWaalsContact O-N 3.12Å; V97-K101 HydrophobicContact CG1-CG 4.16Å; V97-K101 WeakPolarHBondContact O-CB 3.38Å; V97-K101 VanDerWaalsContact O-CG 3.26Å; V97-K101 WeakPolarHBondContact O-CG 3.46Å; V97-K101 PolarHBondContact O-N 3.39Å
98D98.7Very high98.6Very high94 Ų9499.9 Ų99.950%0.50350%0.502SS..Hα-helixtrans-62-47179.4-65.3-30.3000111.2S94 Q95 H100 K101 E102S94-D98 VanDerWaalsContact O-CG 3.23Å; S94-D98 PolarHBondContact O-N 2.86Å; Q95-D98 PolarHBondContact O-N 3.39Å; D98-H100 VanDerWaalsContact C-N 3.28Å; D98-H100 PolarHBondContact O-N 3.03Å; D98-K101 PolarHBondContact O-N 3.21Å; D98-E102 WeakPolarHBondContact O-CB 3.42Å; D98-E102 PolarHBondContact O-N 3.01Å
99I98.8Very high98.6Very high91 Ų91102 Ų10247%0.46751%0.508SS..Hα-helixtrans-58.8-42.2173.3-70.5165.4000110.7Q95 K103Q95-I99 WeakPolarHBondContact O-CB 3.22Å; Q95-I99 WeakPolarHBondContact O-CD1 3.05Å; Q95-I99 WeakPolarHBondContact O-CG1 3.44Å; Q95-I99 PolarHBondContact O-N 3.41Å; I99-K103 HydrophobicContact CG2-CD 3.91Å; I99-K103 HydrophobicContact CG2-CG 4.37Å; I99-K103 VanDerWaalsContact O-CB 3.29Å; I99-K103 WeakPolarHBondContact O-CB 3.2Å; I99-K103 VanDerWaalsContact O-CG 3.23Å; I99-K103 WeakPolarHBondContact O-CG 3.27Å; I99-K103 PolarHBondContact O-N 3.45Å
100H98.9Very high98.6Very high114 Ų114100.2 Ų100.253%0.52850%0.5SS..Hα-helixtrans-65.1-46.2178.8179.483.2000111.6T96 V97 D98 E102 K103 V104T96-H100 VanDerWaalsContact O-CB 3.27Å; T96-H100 WeakPolarHBondContact O-CB 3.43Å; T96-H100 PolarHBondContact O-N 3.26Å; V97-H100 CarbonylContact O-C 3.47Å; V97-H100 WeakPolarHBondContact O-CB 3.45Å; V97-H100 PolarHBondContact O-N 3.36Å; V97-H100 VanDerWaalsContact O-N 3.12Å; D98-H100 VanDerWaalsContact C-N 3.28Å; D98-H100 PolarHBondContact O-N 3.03Å; H100-E102 VanDerWaalsContact C-N 3.35Å; H100-E102 PolarHBondContact O-N 2.78Å; H100-K103 PolarHBondContact O-N 3.48Å; H100-V104 WeakPolarHBondContact O-CG2 3.48Å; H100-V104 PolarHBondContact O-N 3.23Å
101K98.7Very high98.6Very high141 Ų141101.9 Ų101.961%0.61351%0.509SS*.Hα-helixtrans-59.9-46.2177.7-70.5-68.8-175.9179.20111V97 D98 V104 A105V97-K101 HydrophobicContact CG1-CG 4.16Å; V97-K101 WeakPolarHBondContact O-CB 3.38Å; V97-K101 VanDerWaalsContact O-CG 3.26Å; V97-K101 WeakPolarHBondContact O-CG 3.46Å; V97-K101 PolarHBondContact O-N 3.39Å; D98-K101 PolarHBondContact O-N 3.21Å; K101-V104 PolarHBondContact O-N 3.02Å; K101-A105 WeakPolarHBondContact O-CB 3.28Å; K101-A105 PolarHBondContact O-N 3.49Å
102E98.8Very high98.6Very high88 Ų88104.8 Ų104.841%0.41152%0.524SS..Hα-helixtrans-64-42176.4-178.562.4-171.400111.7D98 H100 V104 A105 R106D98-E102 WeakPolarHBondContact O-CB 3.42Å; D98-E102 PolarHBondContact O-N 3.01Å; H100-E102 VanDerWaalsContact C-N 3.35Å; H100-E102 PolarHBondContact O-N 2.78Å; E102-V104 VanDerWaalsContact C-N 3.33Å; E102-V104 PolarHBondContact O-N 2.94Å; E102-A105 PolarHBondContact O-N 2.99Å; E102-R106 HydrophobicContact CG-CG 4.4Å; E102-R106 WeakPolarHBondContact O-CB 3.19Å; E102-R106 WeakPolarHBondContact O-CG 3.44Å; E102-R106 PolarHBondContact O-N 3.02Å; E102-R106 IonicContact OE1-CZ 3.77Å; E102-R106 IonicContact OE1-NE 2.81Å; E102-R106 PolarHBondContact OE1-NE 3.44Å; E102-R106 IonicContact OE1-NH2 2.69Å; E102-R106 PolarHBondContact OE1-NH2 3.48Å
103K98.8Very high98.6Very high136 Ų136104.2 Ų104.259%0.59153%0.528SS*.Hα-helixtrans-61.8-40.2175.7-80.8176.2178.1176.30112.4I99 H100 R107I99-K103 HydrophobicContact CG2-CD 3.91Å; I99-K103 HydrophobicContact CG2-CG 4.37Å; I99-K103 VanDerWaalsContact O-CB 3.29Å; I99-K103 WeakPolarHBondContact O-CB 3.2Å; I99-K103 VanDerWaalsContact O-CG 3.23Å; I99-K103 WeakPolarHBondContact O-CG 3.27Å; I99-K103 PolarHBondContact O-N 3.45Å; H100-K103 PolarHBondContact O-N 3.48Å; K103-R107 VanDerWaalsContact O-CB 3.24Å; K103-R107 WeakPolarHBondContact O-CB 3.29Å; K103-R107 PolarHBondContact O-N 3.39Å
104V98.8Very high98.5Very high62 Ų62105.9 Ų105.938%0.37654%0.543SS..Hα-helixtrans-65.4-48.5176.4171.30000110H100 K101 E102 R106 R107 E108H100-V104 WeakPolarHBondContact O-CG2 3.48Å; H100-V104 PolarHBondContact O-N 3.23Å; K101-V104 PolarHBondContact O-N 3.02Å; E102-V104 VanDerWaalsContact C-N 3.33Å; E102-V104 PolarHBondContact O-N 2.94Å; V104-R106 PolarHBondContact O-N 2.68Å; V104-R107 WeakPolarHBondContact O-CB 3.37Å; V104-R107 PolarHBondContact O-N 2.71Å; V104-E108 PolarHBondContact O-N 3.09Å
105A98.6Very high98.4Very high49 Ų49109.7 Ų109.741%0.40556%0.559SS.*Hα-helixtrans-59.5-46.5177.500000112K101 E102 R107 E108 I109K101-A105 WeakPolarHBondContact O-CB 3.28Å; K101-A105 PolarHBondContact O-N 3.49Å; E102-A105 PolarHBondContact O-N 2.99Å; A105-R107 PolarHBondContact O-N 3.01Å; A105-E108 PolarHBondContact O-N 2.81Å; A105-I109 WeakPolarHBondContact O-CG2 3.42Å; A105-I109 PolarHBondContact O-N 3.12Å
106R98.6Very high98.3Very high167 Ų167114.1 Ų114.163%0.6358%0.577SS**Hα-helixtrans-63.6-37.6176.3-75.4-168.8-173.5179.78.4113.2E102 V104 E108 I109 G110E102-R106 HydrophobicContact CG-CG 4.4Å; E102-R106 WeakPolarHBondContact O-CB 3.19Å; E102-R106 WeakPolarHBondContact O-CG 3.44Å; E102-R106 PolarHBondContact O-N 3.02Å; E102-R106 IonicContact OE1-CZ 3.77Å; E102-R106 IonicContact OE1-NE 2.81Å; E102-R106 PolarHBondContact OE1-NE 3.44Å; E102-R106 IonicContact OE1-NH2 2.69Å; E102-R106 PolarHBondContact OE1-NH2 3.48Å; V104-R106 PolarHBondContact O-N 2.68Å; R106-E108 VanDerWaalsContact C-N 3.34Å; R106-I109 WeakPolarHBondContact O-CG2 3.48Å; R106-G110 WeakPolarHBondContact O-CA 3.4Å; R106-G110 PolarHBondContact O-N 2.89Å
107R98.3Very high98Very high185 Ų185116.9 Ų116.970%0.69859%0.588SS**Hα-helixtrans-63.4-44.1174.6-179.2-174.8-64.6169-1.4110.6K103 V104 A105 G110 I111K103-R107 VanDerWaalsContact O-CB 3.24Å; K103-R107 WeakPolarHBondContact O-CB 3.29Å; K103-R107 PolarHBondContact O-N 3.39Å; V104-R107 WeakPolarHBondContact O-CB 3.37Å; V104-R107 PolarHBondContact O-N 2.71Å; A105-R107 PolarHBondContact O-N 3.01Å; R107-G110 PolarHBondContact O-N 3.29Å; R107-I111 PolarHBondContact O-N 2.86Å
108E98.6Very high97.9Very high141 Ų141119.1 Ų119.166%0.65960%0.602SS**Hα-helixtrans-65.2-48.8-178.4-170168.2-172.200111.8V104 A105 R106 G110 I111V104-E108 PolarHBondContact O-N 3.09Å; A105-E108 PolarHBondContact O-N 2.81Å; R106-E108 VanDerWaalsContact C-N 3.34Å; E108-G110 VanDerWaalsContact C-N 3.28Å; E108-G110 PolarHBondContact O-N 3.41Å; E108-I111 PolarHBondContact O-N 3.49Å
109I98.4Very high97.6Very high102 Ų102119.6 Ų119.652%0.52361%0.613SS.*Hα-helixtrans-67.1-31.6173.9-167.959.1000111.9A105 R106 I111 L112A105-I109 WeakPolarHBondContact O-CG2 3.42Å; A105-I109 PolarHBondContact O-N 3.12Å; R106-I109 WeakPolarHBondContact O-CG2 3.48Å; I109-I111 PolarHBondContact O-N 3.35Å; I109-L112 HydrophobicContact CD1-CD1 4.26Å; I109-L112 WeakPolarHBondContact O-CB 3.4Å; I109-L112 PolarHBondContact O-N 3.48Å
110G98.4Very high97.5Very high29 Ų29126.4 Ų126.430%0.29963%0.633SS.*Hα-helixtrans-59-31.3178.400000113.7R106 R107 E108 L112 T113R106-G110 WeakPolarHBondContact O-CA 3.4Å; R106-G110 PolarHBondContact O-N 2.89Å; R107-G110 PolarHBondContact O-N 3.29Å; E108-G110 VanDerWaalsContact C-N 3.28Å; E108-G110 PolarHBondContact O-N 3.41Å; G110-L112 PolarHBondContact O-N 2.97Å; G110-T113 PolarHBondContact O-N 3.09Å; G110-T113 PolarHBondContact O-OG1 3.3Å
111I98.1Very high97.2Very high137 Ų137125.6 Ų125.670%0.70364%0.636SS**THydrogen-bonded Turntrans-57.7-30.6173.3-58.5-63.9000111.6R107 E108 I109R107-I111 PolarHBondContact O-N 2.86Å; E108-I111 PolarHBondContact O-N 3.49Å; I109-I111 PolarHBondContact O-N 3.35Å
112L98.1Very high97.1Very high146 Ų146125.4 Ų125.476%0.76464%0.637SS**THydrogen-bonded Turntrans-92.76.6-178.4-55.8178.8000113.1I109 G110I109-L112 HydrophobicContact CD1-CD1 4.26Å; I109-L112 WeakPolarHBondContact O-CB 3.4Å; I109-L112 PolarHBondContact O-N 3.48Å; G110-L112 PolarHBondContact O-N 2.97Å
113T97.9Very high96.9Very high96 Ų96131.7 Ų131.759%0.58966%0.663SS**  trans-107.3154.3-177.967.50000112.4G110G110-T113 PolarHBondContact O-N 3.09Å; G110-T113 PolarHBondContact O-OG1 3.3Å
114T97.1Very high96.6Very high135 Ų135132.3 Ų132.383%0.82867%0.671SS**  trans-140.7161167.3-174.20000108.4K116T114-K116 PolarHBondContact O-N 2.94Å
115N96.4Very high96.4Very high136 Ų136135.2 Ų135.273%0.72768%0.683SS**  trans-62.7127.2-179-71.6-22.8000110.5N117N115-N117 PolarHBondContact O-N 3.16Å; N115-N117 PolarHBondContact O-OD1 3.47Å
116K96.4Very high96.1Very high184 Ų184136.1 Ų136.180%0.869%0.69SS**  trans-81.5106164.766179.7-173.7178.40108.8T114 T118T114-K116 PolarHBondContact O-N 2.94Å; K116-T118 HydrophobicContact CG-CG2 4.4Å; K116-T118 PolarHBondContact O-N 2.93Å
117N94Very high95.9Very high153 Ų153132.4 Ų132.482%0.81869%0.688SS**  trans-77.965.9177.4-62.292.9000111.1N115N115-N117 PolarHBondContact O-N 3.16Å; N115-N117 PolarHBondContact O-OD1 3.47Å
118T94.9Very high95.6Very high115 Ų115128.7 Ų128.771%0.70670%0.697SS**  trans-88.7118.3173.5-1720000109.3K116K116-T118 HydrophobicContact CG-CG2 4.4Å; K116-T118 PolarHBondContact O-N 2.93Å
119S93.6Very high95.4Very high105 Ų105128.4 Ų128.473%0.73470%0.7SS**  trans-106.2141.2170.854.50000109.3
120R95.4Very high95.1Very high234 Ų234129.7 Ų129.788%0.88371%0.707SS**  trans-97.7128.4172-168.5175.7-170-93.86.1107.8
121T94.4Very high94.9Very high96 Ų96137 Ų13759%0.58973%0.734SS**  trans-128.5150.6176.5-173.80000109.9I125T121-I125 WeakPolarHBondContact OG1-CD1 3.43Å
122H95.4Very high94.6Very high138 Ų138140.3 Ų140.364%0.63974%0.737SS**  trans-67.7143.6172.8-70.5-93.7000109.4I124 I125H122-I124 PolarHBondContact O-N 3Å; H122-I125 HydrophobicContact CB-CG1 4.13Å
123K94.8Very high94.4Very high220 Ų220139.7 Ų139.796%0.95774%0.742SS**SBendtrans-58.5-32.7177.7-67.1-179.7-179.3176.90112.2
124I93.1Very high94.3Very high149 Ų149141.5 Ų141.576%0.76475%0.753SS**  trans-131.1122.1177.4-56.2173.8000106.4H122H122-I124 PolarHBondContact O-N 3Å
125I94.3Very high94.2Very high123 Ų123144.5 Ų144.563%0.63175%0.749SS**  trans-110.8104.3170.1-62172.5000105.8T121 H122T121-I125 WeakPolarHBondContact OG1-CD1 3.43Å; H122-I125 HydrophobicContact CB-CG1 4.13Å
126A92.8Very high94.1Very high67 Ų67146.9 Ų146.955%0.55475%0.749SS**  trans-65139.9174.600000109.5L130A126-L130 HydrophobicContact CB-CD2 4.37Å
127P93.8Very high93.9Very high90 Ų90142.8 Ų142.858%0.58474%0.735SS**  trans-61.8145.3175.426.5-33.2000110.2N129 L130P127-N129 PolarHBondContact O-N 3.41Å; P127-N129 VanDerWaalsContact O-N 3.12Å; P127-L130 HydrophobicContact CG-CD2 4.36Å
128A92.6Very high93.9Very high107 Ų107145.7 Ų145.788%0.88473%0.734SS**SBendtrans-56.9-31-177.700000113.2
129N93.9Very high93.9Very high135 Ų135148.6 Ų148.672%0.72274%0.737SS**SBendtrans-113.8105.6173.3-65.8-66.5000108.9P127P127-N129 PolarHBondContact O-N 3.41Å; P127-N129 VanDerWaalsContact O-N 3.12Å
130L91.8Very high93.9Very high128 Ų128149.2 Ų149.267%0.6774%0.739SS**PPolyproline II helixtrans-65.3139.7171.1-63.7177.9000109.7A126 P127 R132A126-L130 HydrophobicContact CB-CD2 4.37Å; P127-L130 HydrophobicContact CG-CD2 4.36Å; L130-R132 PolarHBondContact O-N 2.95Å
131E93.6Very high93.8Very high184 Ų184144.4 Ų144.486%0.8673%0.729SS**PPolyproline II helixtrans-57.5124.5176.9-173.9176.717000109.7P133E131-P133 WeakPolarHBondContact O-CD 3.21Å
132R92.8Very high93.6Very high206 Ų206143.8 Ų143.878%0.77772%0.722SS**PPolyproline II helixtrans-74.7126.6-178.1-66.4-173.2179.7109.91.1109.2L130 V134L130-R132 PolarHBondContact O-N 2.95Å; R132-V134 PolarHBondContact O-N 3.43Å
133P93.6Very high93.4Very high133 Ų133146.2 Ų146.286%0.86473%0.727SS**  trans-58.1112.7175.1-25.334.8000111.2E131E131-P133 WeakPolarHBondContact O-CD 3.21Å
134V94.8Very high93.2Very high134 Ų134139 Ų13981%0.81270%0.701SS**PPolyproline II helixtrans-85.5121.9179.8-1770000109.6R132 Y136R132-V134 PolarHBondContact O-N 3.43Å; V134-Y136 PolarHBondContact O-N 3.21Å
135R94.9Very high93.3Very high198 Ų198137.5 Ų137.575%0.74769%0.694SS**PPolyproline II helixtrans-69.5127.1176.8-173.5171.265.1101.8-0.9110.4
136Y95.4Very high93.2Very high186 Ų186136.9 Ų136.973%0.72969%0.691SS**PPolyproline II helixtrans-62.2137174175.9-104000111.8V134 R138V134-Y136 PolarHBondContact O-N 3.21Å; Y136-R138 HydrophobicContact CE1-CG 3.51Å
137I93Very high93.1Very high98 Ų98135.1 Ų135.150%0.50367%0.672SS.*  trans-134.3125.2175.8-59.8172.3000107.8K139I137-K139 PolarHBondContact O-N 3Å
138R93.6Very high93Very high213 Ų213137.1 Ų137.180%0.80468%0.678SS**  trans-67.6117.8173.7-63.7-179.172-140.62.1108.9Y136Y136-R138 HydrophobicContact CE1-CG 3.51Å
139K94.8Very high93Very high176 Ų176137.9 Ų137.977%0.76567%0.666SS**  trans-111135.6168-63.1-176.1179.4-177.70108I137I137-K139 PolarHBondContact O-N 3Å
140P92.3Very high92.8Very high119 Ų119134.8 Ų134.877%0.77367%0.666SS**  trans-60.6159.9171.727.6-33.4000109.9D142P140-D142 PolarHBondContact O-N 3.2Å; P140-D142 VanDerWaalsContact O-N 3.12Å
141I93.6Very high92.6Very high133 Ų133138.2 Ų138.268%0.68268%0.678SS**  trans-61.7119.1175.4-58.2172.3000107.8Y143I141-Y143 HydrophobicContact CG2-CD1 3.94Å; I141-Y143 HydrophobicContact CG2-CD2 4.43Å; I141-Y143 HydrophobicContact CG2-CE1 3.52Å; I141-Y143 HydrophobicContact CG2-CE2 4.07Å; I141-Y143 HydrophobicContact CG2-CG 4.37Å
142D91.3Very high92.1Very high83 Ų83131.1 Ų131.144%0.44465%0.654SS.*  trans-106.2105.8175.8-177.5-4.4000108.1P140 T144 I145P140-D142 PolarHBondContact O-N 3.2Å; P140-D142 VanDerWaalsContact O-N 3.12Å; D142-T144 PolarHBondContact O-N 2.93Å; D142-T144 WeakPolarHBondContact OD1-CB 3.38Å; D142-T144 PolarHBondContact OD1-N 3.2Å; D142-T144 PolarHBondContact OD1-OG1 3.39Å; D142-I145 HydrophobicContact CB-CG2 3.66Å; D142-I145 VanDerWaalsContact CG-CG2 3.46Å; D142-I145 WeakPolarHBondContact OD2-CG2 3.15Å
143Y91.1Very high91.6Very high189 Ų189127.5 Ų127.574%0.74166%0.655SS**THydrogen-bonded Turntrans-74.5-7.4-179.9-63.5-67.6000112.9I141I141-Y143 HydrophobicContact CG2-CD1 3.94Å; I141-Y143 HydrophobicContact CG2-CD2 4.43Å; I141-Y143 HydrophobicContact CG2-CE1 3.52Å; I141-Y143 HydrophobicContact CG2-CE2 4.07Å; I141-Y143 HydrophobicContact CG2-CG 4.37Å
144T90.9Very high91.1Very high67 Ų67127.6 Ų127.641%0.41164%0.642SS.*THydrogen-bonded Turntrans-96-8-176.2690000113.9D142 L146 D147D142-T144 PolarHBondContact O-N 2.93Å; D142-T144 WeakPolarHBondContact OD1-CB 3.38Å; D142-T144 PolarHBondContact OD1-N 3.2Å; D142-T144 PolarHBondContact OD1-OG1 3.39Å; T144-L146 PolarHBondContact O-N 3.49Å; T144-D147 WeakPolarHBondContact CB-OD2 3.4Å; T144-D147 WeakPolarHBondContact O-CB 3.33Å; T144-D147 PolarHBondContact O-N 2.84Å
145I93.6Very high90.3Very high119 Ų119126.8 Ų126.861%0.6164%0.637SS**THydrogen-bonded Turntrans-62.7-14.4-176.267.3-178.4000114.3D142D142-I145 HydrophobicContact CB-CG2 3.66Å; D142-I145 VanDerWaalsContact CG-CG2 3.46Å; D142-I145 WeakPolarHBondContact OD2-CG2 3.15Å
146L92.9Very high88.5Confident110 Ų110122.4 Ų122.458%0.57664%0.637SS**THydrogen-bonded Turntrans-108.4-1.4178.1-55.5-179.5000112.7T144 D148 I149T144-L146 PolarHBondContact O-N 3.49Å; L146-D148 PolarHBondContact O-N 3.38Å; L146-D148 VanDerWaalsContact O-N 3.16Å; L146-I149 HydrophobicContact CD2-CD1 3.79Å; L146-I149 PolarHBondContact O-N 3.1Å
147D90.2Very high86.6Confident30 Ų30119.8 Ų119.816%0.1664%0.64CS.*THydrogen-bonded Turntrans-63.4-24.6-175.2-74.9-0000112.8T144 G152 K154T144-D147 WeakPolarHBondContact CB-OD2 3.4Å; T144-D147 WeakPolarHBondContact O-CB 3.33Å; T144-D147 PolarHBondContact O-N 2.84Å; D147-G152 VanDerWaalsContact O-CA 3.27Å; D147-G152 WeakPolarHBondContact O-CA 3.25Å; D147-K154 HydrophobicContact CB-CG 4.38Å
148D91.7Very high84.4Confident132 Ų132123.6 Ų123.671%0.70666%0.656SS**THydrogen-bonded Turntrans-96.21.7178.2-58.7-37.8000112.5L146 K154L146-D148 PolarHBondContact O-N 3.38Å; L146-D148 VanDerWaalsContact O-N 3.16Å; D148-K154 IonicContact OD1-NZ 2.93Å; D148-K154 PolarHBondContact OD1-NZ 3.32Å
149I92.7Very high82.3Confident123 Ų123120.5 Ų120.563%0.63166%0.655SS**THydrogen-bonded Turntrans-99.7109.4175.5-58.6177.9000109.1L146L146-I149 HydrophobicContact CD2-CD1 3.79Å; L146-I149 PolarHBondContact O-N 3.1Å
150G90.4Very high79.9Confident69 Ų69121.2 Ų121.271%0.71166%0.663SS**THydrogen-bonded Turntrans79.3-133.3-178.800000112.3
151H87.9Confident77.5Confident200 Ų200125 Ų12593%0.92667%0.668SS**THydrogen-bonded Turntrans-106.268.8177.9-63.385.4000109.6
152G82.6Confident74.9Confident36 Ų36127.9 Ų127.937%0.37168%0.681SS.*  trans-65.1150.4-176.800000113.1D147D147-G152 VanDerWaalsContact O-CA 3.27Å; D147-G152 WeakPolarHBondContact O-CA 3.25Å
153V81.3Confident72.3Confident130 Ų130127.6 Ų127.679%0.78870%0.697SS**  trans-107.2102.9-179.5630000109.4
154K84.9Confident69.6Low135 Ų135122 Ų12259%0.58770%0.697SS**  trans-75.6131.9-177.8-55.3-165.7179.4-150.30109.7D147 D148 S156D147-K154 HydrophobicContact CB-CG 4.38Å; D148-K154 IonicContact OD1-NZ 2.93Å; D148-K154 PolarHBondContact OD1-NZ 3.32Å; K154-S156 PolarHBondContact O-N 2.82Å
155V76.2Confident67.2Low116 Ų116127 Ų12770%0.70372%0.72SS**  trans-65.7115.5173.866.20000109.5T157V155-T157 PolarHBondContact O-N 3.17Å
156S57.2Low65Low107 Ų107126.4 Ų126.475%0.74872%0.724SS**  trans-82.699.1178.2-1730000109.7K154 Q158K154-S156 PolarHBondContact O-N 2.82Å; S156-Q158 PolarHBondContact O-N 3.4Å
157T57.3Low62.9Low130 Ų130131.9 Ų131.980%0.79874%0.737SS**  trans-79.693173.243.30000110.8V155V155-T157 PolarHBondContact O-N 3.17Å
158Q46.6Very low60.4Low178 Ų178136.5 Ų136.583%0.83277%0.767SS**  trans-83.6107.2156.7-81.3-171.2-13.900110.1S156S156-Q158 PolarHBondContact O-N 3.4Å
159N48Very low58Low149 Ų149135.3 Ų135.380%0.79776%0.764SS**  trans21.797.6145.8-144.448.7000118.1
160M44.9Very low55.5Low190 Ų190134.9 Ų134.994%0.93677%0.769SS**  trans-129.4112.9153-80.8-66.816600109.9
161K42.3Very low53.2Low199 Ų199136.5 Ų136.587%0.86577%0.767SS**  trans-85.7118.3-179.5179161.8179.7172.30109.1
162M39.1Very low51.4Low194 Ų194133.6 Ų133.696%0.95676%0.764SS**  trans-138120.2160.4-142.6174.7-135.400108.6
163G36Very low49.4Very low77 Ų77140.1 Ų140.179%0.79479%0.785SS**  trans-93.2158.3-175.200000112.9
164G35.6Very low47.7Very low71 Ų71143.6 Ų143.673%0.73279%0.789SS**  trans122.394154.300000114.7
165L40.5Very low45.8Very low172 Ų172142.3 Ų142.390%0.90180%0.795SS**  -178.4149.799.2-87.2167.1000109.9
166P46.7Very low44.4Very low106 Ų106142.5 Ų142.569%0.68880%0.799SS**  trans-81139.5-159.231.3-33.5000113.5T168P166-T168 PolarHBondContact O-N 3.2Å
167R49.9Very low43.8Very low225 Ų225142.8 Ų142.885%0.84980%0.801SS**  trans-49.4111.1164.8173178.7142.1-155.3-4.1111.3T169R167-T169 HydrophobicContact CG-CG2 4.46Å
168T36.8Very low43.5Very low127 Ų127142.2 Ų142.278%0.77980%0.799SS**  trans-106.3106.7160.560.80000108.5P166P166-T168 PolarHBondContact O-N 3.2Å
169T41.3Very low43.5Very low108 Ų108139.6 Ų139.666%0.66380%0.798SS**  trans-107.9114.916347.60000107.9R167R167-T169 HydrophobicContact CG-CG2 4.46Å
170P40.2Very low43.5Very low113 Ų113140.8 Ų140.873%0.73480%0.8SS**  trans-70.4170.6172.4-12.528.3000112.3
171P42.7Very low43.3Very low103 Ų103138 Ų13867%0.66980%0.8SS**  trans-79.9164.3-16133.8-34.9000113.9Q173P171-Q173 PolarHBondContact O-N 2.86Å
172T50.4Low43.1Very low140 Ų140131.6 Ų131.686%0.85979%0.79SS**  trans-42.6115.2168.546.80000112.9
173Q39.5Very low42.9Very low172 Ų172133 Ų13380%0.80479%0.79SS**  trans-139.7115.1156.3-68.6-169.19.200109P171 P175P171-Q173 PolarHBondContact O-N 2.86Å; Q173-P175 WeakPolarHBondContact O-CD 3.12Å
174K46.2Very low42.8Very low203 Ų203132.2 Ų132.288%0.88378%0.783SS**PPolyproline II helixtrans-76.4120.4169.1-174.6-177.2-173.4-176.90107.6
175P44.8Very low42.7Very low108 Ų108135.1 Ų135.170%0.70179%0.787SS**PPolyproline II helixtrans-83.9160.4168.5-6.926.5000110.8Q173Q173-P175 WeakPolarHBondContact O-CD 3.12Å
176P46.5Very low42.4Very low121 Ų121135 Ų13579%0.78679%0.786SS**PPolyproline II helixtrans-85.7153.9-149.834.4-35.4000113.7
177S43.8Very low41.7Very low113 Ų113133.6 Ų133.679%0.7979%0.791SS**PPolyproline II helixtrans-86.1137.7150.5-49.30000107.2
178P50.7Low40.9Very low118 Ų118128.5 Ų128.577%0.76679%0.79SS**  -156.9-173.392.539-16.5000113.4
179P46.8Very low40.7Very low123 Ų123128.4 Ų128.480%0.79979%0.794SS**  cis-128.8161.28.738.6-20.2000117.7
180M48.5Very low40.2Very low173 Ų173126.5 Ų126.585%0.85280%0.796SS**  trans-78.5155.7166.9-63.1-179.569.900111.7
181S40.3Very low39.9Very low133 Ų133127.1 Ų127.193%0.9380%0.803SS**  trans-162.5126.3141.6-71.70000104.9
182G38.2Very low39.6Very low63 Ų63127.6 Ų127.665%0.64981%0.809SS**  cis166.1169.84.900000106.7
183K35.9Very low38.7Very low223 Ų223124.8 Ų124.897%0.9781%0.808SS**  trans83.1126.8169.6-142.5169.7-173.8-178.80114.4
184G33.6Very low38.4Very low62 Ų62120 Ų12064%0.63980%0.804SS**  cis173.9136.90.400000107.3
185T33.8Very low37.8Very low132 Ų132115.5 Ų115.581%0.8180%0.799SS**  trans38.3114.9147.3-22.10000120.6
186L34.5Very low37.3Very low169 Ų169119 Ų11989%0.88581%0.805SS**  167.1127.6112.8-88.5157000113.3
187G32.2Very low37.4Very low77 Ų77118.3 Ų118.379%0.79480%0.801SS**  trans56.1105.2130.200000121.1
188S31.1Very low37.1Very low118 Ų118118.1 Ų118.183%0.82580%0.8SS**  trans-86141.4165.1167.20000112.2
189S33Very low36.4Very low125 Ų125118 Ų11887%0.87480%0.801SS**  trans170.4130.8142.4-68.70000106.8
190G31.5Very low35.7Very low68 Ų68124 Ų12470%0.70181%0.808SS**  cis160.3135.41.900000107.1
191S33.5Very low35.2Very low126 Ų126121.4 Ų121.488%0.88181%0.807SS**  trans59.2149.8160.1-66.70000119.3
192S36.9Very low34.8Very low113 Ų113120.5 Ų120.579%0.7980%0.801SS**  cis179.3147.1-3.645.20000107.2
193G32.4Very low34.5Very low81 Ų81122.3 Ų122.384%0.83580%0.803SS**  trans105.5112.6146.400000119.6
194G32.7Very low34.8Very low71 Ų71122.4 Ų122.473%0.73280%0.797SS**  82.6105114.600000121.4
195S33.2Very low34.7Very low109 Ų109128.6 Ų128.676%0.76281%0.809SS**  78.8109.4125.9-53.50000123.1
196H35.1Very low34.8Very low180 Ų180128.9 Ų128.983%0.83381%0.806SS**  trans55.9166.9139-62.7-107.1000120.4
197P48.3Very low35Very low108 Ų108126.3 Ų126.370%0.70180%0.802SS**  -120.1163.8-65.534.7-18.7000112.6
198S36.7Very low35.1Very low109 Ų109126 Ų12676%0.76280%0.799SS**  trans-8.9122.3159.242.40000118.9
199S36.4Very low35.3Very low114 Ų114126.6 Ų126.680%0.79780%0.803SS**  trans-177.5109.9135.7-78.20000109
200R33.2Very low35.4Very low251 Ų251123.9 Ų123.995%0.94780%0.795SS**  trans-178.8132148.9-103.4159164.4-173.2-7.2112
201S36.2Very low35.9Very low117 Ų117126.2 Ų126.282%0.81880%0.801SS**  trans-51.4135175.7-50.60000114.3
202S32.5Very low36.1Very low115 Ų115126.8 Ų126.880%0.80480%0.798SS**  trans-87122140.246.50000106.2
203S32.8Very low36.2Very low100 Ų100124.8 Ų124.870%0.69980%0.796SS**  52.29553.8-160.60000113.5
204R40.7Very low36.5Very low225 Ų225127.6 Ų127.685%0.84980%0.796SS**  trans42.6123.4134.9-78.2179.4166.4177.5-4.2120.1
205E32.9Very low36.9Very low192 Ų192130 Ų13090%0.89780%0.799SS**  -158.7105.1123.826.7-169.57500104.4
206N35Very low37.1Very low139 Ų139132.8 Ų132.874%0.74380%0.804SS**  48.9100.259.9-16448.7000114.9
207S39.3Very low37.3Very low114 Ų114128.6 Ų128.680%0.79780%0.801SS**  178.7142.6112.8-70.20000107.1
208G34Very low36.8Very low71 Ų71129.8 Ų129.873%0.73281%0.806SS**  cis143.7105.213.900000106.5
209S36.2Very low37.1Very low131 Ų131130.3 Ų130.392%0.91681%0.806SS**  trans-97.2120.3160.2-770000107.1
210G34.3Very low37.4Very low68 Ų68131.2 Ų131.270%0.70181%0.807SS**  trans-74.4164.6172.700000112
211S41.8Very low38Very low117 Ų117125.1 Ų125.182%0.81880%0.8SS**  176.2153.4106.249.80000112.8
212V38.4Very low38.7Very low137 Ų137125 Ų12583%0.8380%0.8SS**  trans87.2102.9153.1-159.90000118.5
213G37.3Very low39.2Very low71 Ų71124.9 Ų124.973%0.73280%0.796SS**PPolyproline II helixtrans-85.5161.1160.300000113.2
214V40.3Very low39.5Very low140 Ų140125.8 Ų125.885%0.84880%0.799SS**PPolyproline II helixtrans-99151.6173.5168.10000108.4
215P40.3Very low39.4Very low122 Ų122121.2 Ų121.279%0.79280%0.802SS**PPolyproline II helixtrans-68149.2-167.725.5-39.1000116.6
216I38.2Very low39.6Very low167 Ų167117.3 Ų117.386%0.85679%0.791SS**PPolyproline II helixtrans-90130.9167-69174.2000109.2
217A38.8Very low39.7Very low93 Ų93119.8 Ų119.877%0.76980%0.795SS**PPolyproline II helixtrans-80.3146.5172.400000111.9
218V37.6Very low40Very low133 Ų133119.4 Ų119.481%0.80679%0.79SS**PPolyproline II helixtrans-67.9143.8177.8-176.70000111.1
219P42.5Very low40Very low120 Ų120120.8 Ų120.878%0.77980%0.795SS**PPolyproline II helixtrans-80127.3178.329.2-28.9000112.1
220T43.4Very low40.5Very low132 Ų132120.6 Ų120.681%0.8179%0.79SS**PPolyproline II helixtrans-79.7138.4164.431.60000111.2
221P45.2Very low40.5Very low124 Ų124122.5 Ų122.581%0.80580%0.799SS**PPolyproline II helixtrans-76.7138.2-177.129.8-33.9000113.1
222S50.8Low40.1Very low115 Ų115120.5 Ų120.580%0.80480%0.797SS**PPolyproline II helixtrans-78.7144.6170.4-61.90000111.6
223P43.8Very low39.9Very low111 Ų111119.8 Ų119.872%0.72180%0.798SS**PPolyproline II helixtrans-73.4155.9179.830.4-34.7000112.6
224P39.8Very low39.8Very low120 Ų120121.4 Ų121.478%0.77980%0.804SS**PPolyproline II helixtrans-74.9127.4179.929.6-32.6000112V226P224-V226 PolarHBondContact O-N 3.18Å
225S38.3Very low39.4Very low128 Ų128118.6 Ų118.690%0.89580%0.804SS**  trans-77.1106.2167.2-61.10000110.1
226V37Very low39.2Very low110 Ų110119.2 Ų119.267%0.66781%0.806SS**  trans-130.1112.2164.1-173.30000107.3P224P224-V226 PolarHBondContact O-N 3.18Å
227F36.6Very low39.8Very low192 Ų192116.8 Ų116.884%0.84280%0.801SS**  176.5148.4117.3-107.3-89000111
228P45.6Very low40.6Very low106 Ų106117.6 Ų117.669%0.68880%0.798SS**  trans-87.2156.5-178.29.211.6000111.9
229A33.7Very low40.7Very low100 Ų100118.9 Ų118.983%0.82680%0.8SS**  trans-63159.2165.900000112.4
230P46.1Very low40.8Very low126 Ų126119.1 Ų119.182%0.81880%0.801SS**  trans-122.1146.9138.534.6-24.6000112.3
231A35.2Very low40.5Very low109 Ų109117 Ų11790%0.90180%0.797SS**  trans-67.6157.2173.500000112.8
232G33.8Very low39.9Very low74 Ų74117.9 Ų117.976%0.76380%0.8SS**  trans155.893.1155.500000117.8
233S33.8Very low39.2Very low122 Ų122118.3 Ų118.385%0.85380%0.803SS**  trans65.4113.9138.3-92.40000123.6
234A35.2Very low38.7Very low105 Ų105117.9 Ų117.987%0.86881%0.809SS**  71.4121.5114.100000121
235G32.9Very low38.5Very low81 Ų81117.8 Ų117.884%0.83581%0.811SS**  trans153.986.2155.500000115
236T36Very low38.4Very low136 Ų136118.2 Ų118.283%0.83481%0.808SS**  trans-78.5177.3160.940.90000110.8
237P49.2Very low38.5Very low115 Ų115118.7 Ų118.775%0.74781%0.814SS**  cis-135.7-145.7-37.836.3-14.1000110.6
238P56.3Low38.8Very low110 Ų110115.8 Ų115.871%0.71481%0.812SS**  -122.7166.6-54.826.7-5.6000115.7
239L38.8Very low38.5Very low161 Ų161116.8 Ų116.884%0.84382%0.818SS**  trans9.6148.8146-71.5169.6000121.2
240P45.9Very low38.6Very low125 Ų125120.3 Ų120.381%0.81282%0.822SS**  -149.7171.262.538.6-16.7000118.9
241A36.5Very low38.4Very low88 Ų88120.6 Ų120.673%0.72782%0.821SS**  trans-67.8143.217800000114.2
242T33.4Very low38.8Very low142 Ų142121.5 Ų121.587%0.87182%0.818SS**  trans-146.6131.2151.748.90000111.1
243S34.8Very low38.7Very low124 Ų124122.8 Ų122.887%0.86782%0.822SS**  trans-62.3139.7165.6-44.10000111.1
244A34.4Very low38.9Very low102 Ų102123.7 Ų123.784%0.84382%0.822SS**  trans-164.4137.5150.400000111.8
245S34.4Very low38.9Very low118 Ų118125.3 Ų125.383%0.82582%0.821SS**PPolyproline II helixtrans-70.3151.8-169.5-500000114.9
246V36.9Very low39.4Very low137 Ų137127.1 Ų127.183%0.8382%0.818SS**PPolyproline II helixtrans-68.4130.6166.2-1790000109.9
247P40Very low39.5Very low120 Ų120126.7 Ų126.778%0.77982%0.82SS**PPolyproline II helixtrans-93.2131.7164.432.2-26.2000111.2
248T41.9Very low38.7Very low131 Ų131126 Ų12680%0.80482%0.818SS**PPolyproline II helixtrans-75.4160.6168.528.60000112.2
249P39.6Very low37.7Very low126 Ų126127 Ų12782%0.81882%0.823SS**PPolyproline II helixtrans-80.9144-169.2-6.724.8000114.1
250L36.3Very low37.5Very low175 Ų175123.5 Ų123.592%0.91682%0.817SS**PPolyproline II helixtrans-71.4130174.2-80.7146.5000112.4
251V41.4Very low37.8Very low131 Ų131123.2 Ų123.279%0.79482%0.815SS**PPolyproline II helixtrans-97.7137.8161.5-99.40000109.7
252P42.8Very low37.5Very low129 Ų129125.9 Ų125.984%0.83882%0.817SS**PPolyproline II helixtrans-79.4146.1177.8-12.929.3000114
253A32.2Very low37.5Very low101 Ų101122.7 Ų122.784%0.83581%0.805SS**PPolyproline II helixtrans-72.5151.2-176.600000114.8
254T37.6Very low37.3Very low141 Ų141121.6 Ų121.687%0.86580%0.804SS**  trans-126.9139.7157.7-13.90000109.1
255V35.4Very low37.2Very low139 Ų139121.7 Ų121.784%0.84280%0.804SS**  trans-84.1166.8-170.5-95.60000113.5
256P44.8Very low37Very low119 Ų119119.9 Ų119.977%0.77380%0.804SS**  trans-106.8175.1-138.340.9-36.7000116
257S36.5Very low36.6Very low126 Ų126117.4 Ų117.488%0.88181%0.806SS**  trans-140.2120.5155.5-75.60000111.8
258S33.3Very low36.3Very low100 Ų100116.1 Ų116.170%0.69981%0.806SS**  trans-58.8152.7161.9134.80000109.3
259T34.5Very low35.8Very low132 Ų132119.1 Ų119.181%0.8181%0.811SS**  cis-168.6145.435.3-4.30000107.9
260A35.4Very low35.4Very low87 Ų87118.4 Ų118.472%0.71981%0.809SS**  trans-112.6166.2150.900000106.2
261P51Low35.3Very low119 Ų119118.2 Ų118.277%0.77381%0.808SS**  -150.3-165.758.340.4-16.2000111.7
262D31.8Very low34.9Very low144 Ų144116.5 Ų116.577%0.7781%0.808SS**  cis-169.8161.514.2-149.3-14000110.3
263A32.3Very low34.4Very low76 Ų76118.3 Ų118.363%0.62881%0.81SS**  trans52.6117.6138.200000121.4
264A31.7Very low34.4Very low101 Ų101117 Ų11784%0.83581%0.806SS**  100.215486.800000111.1
265A32.4Very low34.1Very low104 Ų104119.9 Ų119.986%0.8681%0.807SS**  cis-171.9167.4-13.700000106.6
266G29.5Very low33.9Very low79 Ų79119.1 Ų119.181%0.81480%0.803SS**  trans116.8119166.200000112.8
267G29.1Very low33.6Very low85 Ų85118.7 Ų118.788%0.87680%0.803SS**  cis86.3125.846.900000108.9
268A32.9Very low34.1Very low94 Ų94118.2 Ų118.278%0.77780%0.797SS**  cis-166.1157.813.600000111.6
269Q32Very low34.3Very low193 Ų193119.6 Ų119.690%0.90280%0.801SS**  trans38.9131.3143.1-63.5-172.8-26.400125.3
270S31.7Very low34.7Very low111 Ų111118.6 Ų118.678%0.77680%0.797SS**  177.6121.8110.366.60000110.4
271L33.9Very low35.5Very low172 Ų172120.3 Ų120.390%0.90180%0.801SS**  65.2110.397.4-98151.9000117.4
272A33.1Very low34.7Very low95 Ų95121.1 Ų121.179%0.78580%0.803SS**  163.7158.7121.700000114
273D32.2Very low35Very low166 Ų166122.2 Ų122.289%0.88881%0.807SS**  trans-65166.5-162.9-60-83.3000120.1
274G30.4Very low34.9Very low73 Ų73123.3 Ų123.375%0.75381%0.81SS**  trans13896.2136.900000119.5
275F31.2Very low35Very low202 Ų202124 Ų12489%0.88681%0.809SS**  trans44.6128.3135.2-132-108.5000122.4
276T32.6Very low35.1Very low124 Ų124126.6 Ų126.676%0.76181%0.809SS**  trans128.2126.6142.459.80000115.9
277S38.1Very low36.1Very low110 Ų110128 Ų12877%0.76980%0.804SS**  trans-91.3154163.2-168.30000109
278P47.2Very low36.7Very low116 Ų116129.4 Ų129.475%0.75380%0.797SS**  -149.4152.3107.233.3-13.9000117.4
279T37.6Very low36.7Very low128 Ų128131.7 Ų131.779%0.78580%0.802SS**  trans4.1145.6145.3-28.10000121.6
280P43.7Very low36.6Very low112 Ų112125.6 Ų125.673%0.72779%0.791SS**PPolyproline II helixtrans-87.7163-178.436.3-37.3000114.5
281P50.3Low36.8Very low122 Ų122129.5 Ų129.579%0.79280%0.796SS**PPolyproline II helixtrans-93.1146178.935.1-30.8000114.1
282V36Very low36.9Very low137 Ų137127 Ų12783%0.8379%0.79SS**PPolyproline II helixtrans-91.1141164.8171.40000108.7
283I36.2Very low37Very low166 Ų166129.3 Ų129.385%0.85179%0.794SS**  trans-130.5135.4164.1-65.2179.8000109.7
284S32.1Very low37.1Very low99 Ų99128.5 Ų128.569%0.69279%0.785SS**  trans-117.9153.6179.7178.30000110.7
285S32.8Very low37.2Very low116 Ų116134.8 Ų134.881%0.81179%0.792SS**  trans88115.5152.365.10000122.9
286N34.8Very low37.3Very low159 Ų159135 Ų13585%0.8579%0.788SS**  trans-37.6-177159.6-87.513.2000120.1
287P50.2Low37.3Very low109 Ų109134.3 Ų134.371%0.70879%0.789SS**  cis-133.2-170.5-18.535.1-13.3000113.6
288P41.8Very low37.3Very low114 Ų114137.6 Ų137.674%0.7479%0.794SS**  -153.1149.490.837.6-16.1000118.7
289T33.9Very low36.7Very low142 Ų142139.7 Ų139.787%0.87180%0.799SS**  trans20.5133.7145.158.20000124.4
290G29.4Very low36.6Very low65 Ų65145.2 Ų145.267%0.6781%0.805SS**  trans150.599.6137.600000119.7
291H35.3Very low36.4Very low192 Ų192145.7 Ų145.789%0.88981%0.809SS**  trans79.3124.8156.1-62.2-74.9000122.4
292P36.5Very low35.6Very low119 Ų119144.7 Ų144.777%0.77381%0.811SS**  trans-100.6143.2174.137.2-29.3000113.4
293V34.9Very low35.5Very low145 Ų145143.6 Ų143.688%0.87981%0.809SS**  trans-109.4134167.4-176.30000109.3
294Q34.2Very low35.3Very low149 Ų149146.6 Ų146.670%0.69681%0.81SS**  trans-67.5131.3-168.5-64.1-85.9-27.600113.6
295F31.6Very low35.7Very low204 Ų204150.6 Ų150.690%0.89582%0.817SS**  trans-106119.3156.4-94.5-89000108.6S297F295-S297 PolarHBondContact O-N 2.89Å
296Y34Very low35.9Very low206 Ų206150.1 Ų150.181%0.80881%0.81SS**  trans-74117.3170.9-73.2-88.5000109.2
297S33.5Very low36.3Very low111 Ų111148.1 Ų148.178%0.77681%0.805SS**  trans-113.6116.3164.8-154.70000108F295 N299F295-S297 PolarHBondContact O-N 2.89Å; S297-N299 PolarHBondContact O-N 3.32Å
298M36.5Very low36.3Very low179 Ų179149 Ų14988%0.88281%0.811SS**  trans-66.692.2176.8-103.670.8166.900109.9
299N35Very low35.9Very low160 Ų160150 Ų15086%0.85682%0.815SS**  trans-96.2115.6157.5-97.65.7000108.5S297S297-N299 PolarHBondContact O-N 3.32Å
300R35.8Very low36Very low243 Ų243151.4 Ų151.492%0.91782%0.815SS**PPolyproline II helixtrans-102.4136.4171.3-160.1175.5-167.9-150.72.7110.1
301P38.7Very low36Very low122 Ų122151.7 Ų151.779%0.79282%0.819SS**PPolyproline II helixtrans-84.6164.5-172.233.1-35.6000114.6
302A34.5Very low35.9Very low102 Ų102146.2 Ų146.284%0.84381%0.814SS**PPolyproline II helixtrans-52.9156.6-176.800000116.9
303S34.2Very low35.8Very low114 Ų114145.5 Ų145.580%0.79781%0.812SS**  trans-118.5129.9152.261.10000109.9
304R31.8Very low35.9Very low229 Ų229146.4 Ų146.486%0.86481%0.811SS**  trans-111.1113.6-177.9-179.2-174.4-174.8-149.73106.1
305H39.6Very low36.9Very low183 Ų183144.2 Ų144.285%0.84781%0.81SS**PPolyproline II helixtrans-102.3125171.5-94.9-66.4000110.9
306T36.7Very low37Very low106 Ų106146.2 Ų146.265%0.6581%0.813SS**PPolyproline II helixtrans-85.2140.9173.747.50000110.8
307P43.7Very low37Very low116 Ų116147.2 Ų147.275%0.75382%0.815SS**PPolyproline II helixtrans-85.6153.6166.733.3-30.7000111.4
308P50.8Low37.1Very low127 Ų127153.5 Ų153.583%0.82582%0.822SS**PPolyproline II helixtrans-81.3144.1176.632.2-30.9000112.2
309T32.6Very low37.4Very low135 Ų135149.8 Ų149.883%0.82881%0.811SS**PPolyproline II helixtrans-87.8129173.9-61.70000110.5
310I36.7Very low37.6Very low172 Ų172148.1 Ų148.188%0.88281%0.809SS**  trans-111.9126158-71.8170.9000107.1
311G30.3Very low37.5Very low72 Ų72142.7 Ų142.774%0.74281%0.808SS**  trans-84.1152.9-174.900000114.4
312G31.9Very low37.2Very low77 Ų77144.4 Ų144.479%0.79481%0.809SS**  trans-171.891.5173.300000112.1
313S34.8Very low37.1Very low104 Ų104145.2 Ų145.273%0.72780%0.804SS**  trans-4.7126.1164.450.40000124.2
314L38Very low37.1Very low163 Ų163145.2 Ų145.285%0.85380%0.804SS**  72.7163.3123.7-60.5178.4000120.4
315P54Low37.1Very low103 Ų103143 Ų14367%0.66980%0.803SS**  -137.1154.7-89.633.8-11.1000114.9
316Y33.8Very low36.7Very low246 Ų246140.9 Ų140.997%0.96580%0.804SS**  trans-144.9135.4148.5-114.9-86.9000111.2
317R34.4Very low36.4Very low228 Ų228140.8 Ų140.886%0.8681%0.808SS**  trans-106136.3-165-178.9-150.5-106.4-1207.2109.8
318R35Very low35.9Very low242 Ų242142.7 Ų142.791%0.91381%0.81SS**  trans-154.8134.5149-163.8174.4-94.3-165.8-4.1111
319P43.2Very low35Very low101 Ų101144.2 Ų144.266%0.65681%0.806SS**PPolyproline II helixtrans-95167.4-167.637.1-34.3000114.4
320P39.1Very low35.1Very low126 Ų126144.5 Ų144.582%0.81880%0.803SS**PPolyproline II helixtrans-90.9148.5174.335.9-30.2000112.3
321S33.5Very low35Very low128 Ų128146 Ų14690%0.89581%0.806SS**PPolyproline II helixtrans-95.1151.6176.1-64.60000112.5
322I32.8Very low35.2Very low158 Ų158150.8 Ų150.881%0.8181%0.811SS**PPolyproline II helixtrans-84.8154.3-161.9-162163.3000114.5
323T32.2Very low35.4Very low119 Ų119155 Ų15573%0.7382%0.816SS**  trans-22.7139.2150.9-63.10000117.5
324S33.5Very low35.2Very low115 Ų115153.5 Ų153.580%0.80482%0.817SS**  trans-154.2118.4139.140.20000111.6
325Q33.3Very low35Very low181 Ų181149.2 Ų149.285%0.84681%0.812SS**  trans-71.3144.1159.5-69.4-179.7-33.500109.7
326T30Very low34.8Very low139 Ų139150.7 Ų150.785%0.85382%0.821SS**  trans-144.6121.3148.1-58.70000109.1
327S31.1Very low34.8Very low105 Ų105148 Ų14873%0.73482%0.815SS**  trans-106.4150.5164.8-179.50000108.1
328L33Very low34.9Very low155 Ų155148.2 Ų148.281%0.81282%0.818SS**  trans151.1143.4162.6-83.9173.9000106.6
329Q31.3Very low34.8Very low159 Ų159143.1 Ų143.174%0.74381%0.808SS**  cis-174145.4-17.5-178.877.516.300104.7
330N35.1Very low34.3Very low142 Ų142147.2 Ų147.276%0.75982%0.819SS**  trans-26145171.4-75.8-11.2000119.5
331Q34.2Very low34.2Very low203 Ų203148 Ų14895%0.94982%0.816SS**  -143.3144.4129.5-80.1-148.9-17.300112.3
332M35.3Very low34.7Very low172 Ų172147.2 Ų147.285%0.84781%0.808SS**  trans-110.8151.3-171.4-163.791.1107.100109.8
333N34.8Very low34.9Very low166 Ų166145.1 Ų145.189%0.88880%0.803SS**  trans103129.3138.8-132.251.8000121
334G31.6Very low35.1Very low72 Ų72144.9 Ų144.974%0.74281%0.806SS**  trans139.398.4145.800000117.5
335G34.6Very low35.6Very low74 Ų74147 Ų14776%0.76381%0.808SS**  trans-78.6-171.9170.500000114.7
336P49.9Very low36.1Very low133 Ų133144.4 Ų144.486%0.86481%0.805SS**  -143.1166.388.637.3-20.5000116.4
337F34Very low37Very low190 Ų190143.3 Ų143.383%0.83380%0.8SS**  trans-76.9150.9-177.1-74.4-103000114.4
338Y34.6Very low38.2Very low232 Ų232143.7 Ų143.791%0.9180%0.8SS**  trans-138.5134.7135.5-119.2-86.2000109.4
339N33.9Very low38.8Very low135 Ų135141.9 Ų141.972%0.72280%0.798SS**  trans-112138.2-176.1-139.98.8000107.8
340Q32.5Very low40Very low188 Ų188140 Ų14088%0.87980%0.799SS**  trans-176.4118.3143.5-105.3177.888.600111.6
341N37.5Very low41.1Very low142 Ų142138.1 Ų138.176%0.75980%0.795SS**  trans-73162.2168.9-116.732.8000110.2
342P43.3Very low41.6Very low111 Ų111134.9 Ų134.972%0.72179%0.791SS**  -148.115363.434.2-11.9000118
343V37.9Very low42.1Very low115 Ų115132.9 Ų132.970%0.69779%0.788SS**  trans22.9115.3139.8-152.50000117.6
344S35.8Very low42.7Very low114 Ų114133.9 Ų133.980%0.79779%0.787SS**  trans-134.2116.1155.3-70.40000108.5T346S344-T346 PolarHBondContact O-N 2.84Å
345D44Very low43Very low158 Ų158138.8 Ų138.885%0.84579%0.791SS**  trans-48.4125.8172.7-80.6-62.9000111.5
346T43.3Very low43.6Very low127 Ų127140.6 Ų140.678%0.77979%0.79SS**  trans-116.7127.1156.443.80000107.1S344S344-T346 PolarHBondContact O-N 2.84Å
347P49.7Very low43.5Very low117 Ų117140.8 Ų140.876%0.7679%0.788SS**PPolyproline II helixtrans-74.3152.8-173.530.5-32.9000110.8
348P55.2Low43.7Very low112 Ų112140.7 Ų140.773%0.72779%0.788SS**PPolyproline II helixtrans-68.2156.817429.7-33.8000111.3
349P46.9Very low43.9Very low118 Ų118135.7 Ų135.777%0.76678%0.777SS**PPolyproline II helixtrans-64.8144.3177.728.1-33.9000111.1
350P55.3Low44.4Very low118 Ų118137.9 Ų137.977%0.76678%0.782SS**PPolyproline II helixtrans-73.5151.7-176.829.5-33.6000112.6
351P58.2Low45Very low104 Ų104133.9 Ų133.968%0.67578%0.775SS**PPolyproline II helixtrans-71.5159.5172.331.1-34.4000111.9V353P351-V353 PolarHBondContact O-N 2.95Å
352P45.5Very low45.7Very low134 Ų134132.5 Ų132.587%0.8777%0.774SS**PPolyproline II helixtrans-70.7125.4-179.529.6-31.3000109.9
353V45.6Very low45.9Very low130 Ų130132.8 Ų132.879%0.78878%0.776SS**PPolyproline II helixtrans-96.6119.6173.7-176.20000108.1P351P351-V353 PolarHBondContact O-N 2.95Å
354E48.5Very low46.2Very low187 Ų187132.9 Ų132.987%0.87478%0.779SS**PPolyproline II helixtrans-68.6131.7163-68.4-179.9147.600110
355E37.8Very low46.9Very low176 Ų176133 Ų13382%0.82278%0.777SS**  trans-166.3165.5157.6-85.6-136.6171.400108.4
356P47.2Very low47.2Very low112 Ų112131 Ų13173%0.72777%0.772SS**  -124172-71.928.6-6.9000111.9
357V47Very low47.4Very low136 Ų136130.5 Ų130.582%0.82477%0.771SS**  trans-75.9128.3176.9-1780000111.5
358F37.3Very low47.2Very low189 Ų189130.7 Ų130.783%0.82977%0.773SS**  trans167.7141.4148.7-119.4-115.7000107.6
359D38.9Very low46.8Very low127 Ų127132.4 Ų132.468%0.67977%0.771SS**  cis-161.3141.96.2-171.914.8000106.2S361D359-S361 PolarHBondContact O-N 3.34Å
360E45.2Very low46.2Very low181 Ų181134.7 Ų134.785%0.84678%0.777SS**  trans-87.4104.7-174.8-172.6141.6129.800109.8
361S44Very low45.6Very low104 Ų104137.8 Ų137.873%0.72777%0.774SS**PPolyproline II helixtrans-76.8132167.5-69.20000109.8D359D359-S361 PolarHBondContact O-N 3.34Å
362P53.2Low44.4Very low113 Ų113141.7 Ų141.773%0.73478%0.783SS**PPolyproline II helixtrans-70.4151.2-173.528.3-34.1000112.1
363P46.9Very low44.5Very low116 Ų116144.6 Ų144.675%0.75379%0.785SS**PPolyproline II helixtrans-68.7153.1175.329.1-33.4000111.6
364P44Very low44.1Very low117 Ų117147.2 Ų147.276%0.7679%0.789SS**PPolyproline II helixtrans-68.1155.3178.429.3-34.1000111.9
365P51.6Low43.5Very low117 Ų117147.1 Ų147.176%0.7679%0.789SS**PPolyproline II helixtrans-69.2153.6-177.128.7-34.8000112.7
366P49.5Very low43.9Very low116 Ų116143.4 Ų143.475%0.75379%0.788SS**PPolyproline II helixtrans-69.5149174.829.3-33.7000111.8
367P47.7Very low43.4Very low117 Ų117142 Ų14276%0.7679%0.786SS**PPolyproline II helixtrans-68.9152.3171.929.5-32.1000111.2
368P45.4Very low43.3Very low121 Ų121141.8 Ų141.879%0.78679%0.785SS**PPolyproline II helixtrans-69142.4-172.826.5-32.8000113.2D370P368-D370 PolarHBondContact O-N 3.35Å
369E47Very low43.5Very low147 Ų147138.2 Ų138.269%0.68778%0.778SS**  trans-65.5114.9166.3-69179167.900109.6Y371E369-Y371 HydrophobicContact CB-CD2 4.23Å; E369-Y371 HydrophobicContact CB-CE2 3.85Å; E369-Y371 HydrophobicContact CG-CE2 4.44Å; E369-Y371 WeakPolarHBondContact OE2-CE2 3.39Å; E369-Y371 PolarHBondContact OE2-OH 2.82Å
370D33.4Very low43.8Very low166 Ų166140.2 Ų140.289%0.88878%0.783SS**  trans-106.9115.8152.5-92-30.9000107.7P368P368-D370 PolarHBondContact O-N 3.35Å
371Y43.9Very low43.4Very low184 Ų184141.5 Ų141.572%0.72278%0.782SS**  trans-77.6117.3170.8-70.6-104.6000108.4E369E369-Y371 HydrophobicContact CB-CD2 4.23Å; E369-Y371 HydrophobicContact CB-CE2 3.85Å; E369-Y371 HydrophobicContact CG-CE2 4.44Å; E369-Y371 WeakPolarHBondContact OE2-CE2 3.39Å; E369-Y371 PolarHBondContact OE2-OH 2.82Å
372E32Very low43.2Very low185 Ų185141 Ų14186%0.86478%0.779SS**  trans-130.2107.5146.1-73.2-169.2167.400108.5E374E372-E374 PolarHBondContact O-N 3.28Å
373E47.3Very low42.9Very low195 Ų195140.3 Ų140.391%0.91177%0.769SS**  trans-67105.4168.6179.9175.2-160.700108.3
374E38.2Very low42.9Very low186 Ų186140.6 Ų140.687%0.86977%0.771SS**  trans-111.9120.5164-81.8-161.4153.700110.3E372E372-E374 PolarHBondContact O-N 3.28Å
375E36.8Very low43.3Very low185 Ų185144.8 Ų144.886%0.86477%0.773SS**  trans-48.7150.2179.4-80.1-175.1121.800114.3A377E375-A377 PolarHBondContact O-N 3.18Å; E375-A377 VanDerWaalsContact O-N 3.1Å
376A46.3Very low43.3Very low97 Ų97142.6 Ų142.680%0.80277%0.765SS**  trans-40.9109.7164.900000113.7
377A36.1Very low43.5Very low83 Ų83145.7 Ų145.769%0.68677%0.769SS**  trans-103.888.6149.600000108E375 V379E375-A377 PolarHBondContact O-N 3.18Å; E375-A377 VanDerWaalsContact O-N 3.1Å; A377-V379 HydrophobicContact CB-CG2 4.41Å; A377-V379 PolarHBondContact O-N 2.95Å
378V44.1Very low44.2Very low132 Ų132149 Ų14980%0.877%0.774SS**  trans-61.895.5155.4175.80000105.4E380V378-E380 PolarHBondContact O-N 3.49Å
379V41Very low45.2Very low114 Ų114146.8 Ų146.869%0.69176%0.756SS**  trans-7390.6170.9-1770000106.2A377 Y381A377-V379 HydrophobicContact CB-CG2 4.41Å; A377-V379 PolarHBondContact O-N 2.95Å; V379-Y381 VanDerWaalsContact C-N 3.26Å; V379-Y381 HydrophobicContact CG1-CD2 4.11Å; V379-Y381 PolarHBondContact O-N 2.87Å
380E45.6Very low46.6Very low168 Ų168141.8 Ų141.879%0.78574%0.736SS**  trans-62.789.8168.7-173.2173.3-173.100108.3V378 S382V378-E380 PolarHBondContact O-N 3.49Å; E380-S382 PolarHBondContact O-N 3.48Å; E380-S382 VanDerWaalsContact O-N 3.15Å
381Y37.4Very low48.5Very low208 Ų208140.4 Ų140.482%0.81674%0.736SS**  trans-79.293.2174.1-137.6-92.4000107.5V379 D383V379-Y381 VanDerWaalsContact C-N 3.26Å; V379-Y381 HydrophobicContact CG1-CD2 4.11Å; V379-Y381 PolarHBondContact O-N 2.87Å; Y381-D383 PolarHBondContact O-N 3.06Å; Y381-D383 VanDerWaalsContact O-N 3.08Å
382S40.6Very low50.1Low95 Ų95135.7 Ų135.766%0.66472%0.717SS**  trans-68.6101.8167.9-67.50000108.6E380 P384E380-S382 PolarHBondContact O-N 3.48Å; E380-S382 VanDerWaalsContact O-N 3.15Å; S382-P384 VanDerWaalsContact O-CD 3.3Å; S382-P384 WeakPolarHBondContact O-CD 3.37Å
383D45.1Very low52.4Low98 Ų98127.6 Ų127.652%0.52468%0.682SS.*  trans-69.5114.5165.6-174.9-10.1000108.6Y381 Y385 A386Y381-D383 PolarHBondContact O-N 3.06Å; Y381-D383 VanDerWaalsContact O-N 3.08Å; D383-Y385 PolarHBondContact O-N 2.9Å; D383-Y385 PolarHBondContact OD1-N 2.76Å; D383-Y385 VanDerWaalsContact OD1-N 3.1Å; D383-A386 HydrophobicContact CB-CB 4.19Å; D383-A386 PolarHBondContact O-N 3.42Å
384P48.8Very low54.2Low122 Ų122119.6 Ų119.679%0.79265%0.647SS**THydrogen-bonded Turntrans-71.35.8-177.330-34.2000114.1S382S382-P384 VanDerWaalsContact O-CD 3.3Å; S382-P384 WeakPolarHBondContact O-CD 3.37Å
385Y51.1Low56.1Low205 Ų205123 Ų12380%0.80465%0.652SS**THydrogen-bonded Turntrans-121.91.3174.9-95.3-90.8000115D383 E387D383-Y385 PolarHBondContact O-N 2.9Å; D383-Y385 PolarHBondContact OD1-N 2.76Å; D383-Y385 VanDerWaalsContact OD1-N 3.1Å; Y385-E387 PolarHBondContact O-N 3.11Å
386A51.6Low58.3Low71 Ų71118 Ų11859%0.58764%0.642SS**SBendtrans-76.392.5169.100000108.3D383 E388D383-A386 HydrophobicContact CB-CB 4.19Å; D383-A386 PolarHBondContact O-N 3.42Å; A386-E388 PolarHBondContact O-N 3.25Å; A386-E388 VanDerWaalsContact O-N 3.16Å
387E53.2Low60.2Low181 Ų181117.6 Ų117.685%0.84662%0.62SS**  trans-35.7121.4168.1-67.5-88.2140.400109.5Y385 D389Y385-E387 PolarHBondContact O-N 3.11Å; E387-D389 PolarHBondContact O-N 3.49Å
388E62.9Low62.7Low187 Ų187119.1 Ų119.187%0.87462%0.616SS**  trans-43.6131174.4-70.5-174.1157.900108.8A386A386-E388 PolarHBondContact O-N 3.25Å; A386-E388 VanDerWaalsContact O-N 3.16Å
389D67.5Low64.9Low73 Ų73115 Ų11539%0.3959%0.588SS.*  trans-47.9132.7178.3-83.6-48.5000108.7E387 A393 Y397 K400 Y424E387-D389 PolarHBondContact O-N 3.49Å; D389-A393 HydrophobicContact CB-CB 3.94Å; D389-Y397 PolarHBondContact OD2-OH 2.88Å; D389-K400 IonicContact OD1-NZ 3.21Å; D389-Y424 WeakPolarHBondContact OD1-CE1 3.36Å; D389-Y424 PolarHBondContact OD1-OH 3.25Å
390P76.2Confident67.4Low43 Ų43113.1 Ų113.128%0.27957%0.571SS.*  trans-50.5148.8-173.9-27.232.5000111W392 A393P390-W392 HydrophobicContact CB-CD2 3.98Å; P390-W392 VanDerWaalsContact CB-CE2 3.44Å; P390-W392 HydrophobicContact CB-CG 4.04Å; P390-W392 HydrophobicContact CB-CZ2 3.98Å; P390-W392 HydrophobicContact CG-CZ2 3.82Å; P390-W392 PolarHBondContact O-N 2.95Å; P390-A393 WeakPolarHBondContact O-CB 3.41Å; P390-A393 PolarHBondContact O-N 3.29Å
391P73.4Confident69.7Low136 Ų136105.1 Ų105.188%0.88353%0.533SS*.THydrogen-bonded Turntrans-60.7-16.2-175.623.5-34.7000114
392W76.9Confident72.4Confident85 Ų8597.1 Ų97.132%0.32251%0.506SS..THydrogen-bonded Turntrans-85.5-12.7174.359.6-103.9000113.7P390 Y424 V437P390-W392 HydrophobicContact CB-CD2 3.98Å; P390-W392 VanDerWaalsContact CB-CE2 3.44Å; P390-W392 HydrophobicContact CB-CG 4.04Å; P390-W392 HydrophobicContact CB-CZ2 3.98Å; P390-W392 HydrophobicContact CG-CZ2 3.82Å; P390-W392 PolarHBondContact O-N 2.95Å; W392-Y424 HydrophobicContact CH2-CD2 4.07Å; W392-Y424 AromaticContact CH2-CE2 3.72Å; W392-Y424 HydrophobicContact CH2-CE2 3.72Å; W392-Y424 AromaticContact CZ3-CD2 3.77Å; W392-Y424 HydrophobicContact CZ3-CD2 3.77Å; W392-Y424 AromaticContact CZ3-CE2 3.8Å; W392-Y424 HydrophobicContact CZ3-CE2 3.8Å; W392-V437 HydrophobicContact CE3-CG1 4.14Å; W392-V437 HydrophobicContact CZ3-CG1 4.35Å
393A80.6Confident75Confident16 Ų1692.7 Ų92.713%0.13248%0.475CS..SBendtrans-65.8135.2177.800000109.4D389 P390 Y424D389-A393 HydrophobicContact CB-CB 3.94Å; P390-A393 WeakPolarHBondContact O-CB 3.41Å; P390-A393 PolarHBondContact O-N 3.29Å; A393-Y424 HydrophobicContact CB-CD2 4.4Å; A393-Y424 HydrophobicContact CB-CE1 4.14Å; A393-Y424 HydrophobicContact CB-CE2 4.06Å
394P83.9Confident77.5Confident26 Ų2690.6 Ų90.617%0.16946%0.464CS..  trans-63.4139.717826.1-32.9000110.1A396 Y397 Y424 I426 V437P394-A396 PolarHBondContact O-N 2.79Å; P394-Y397 HydrophobicContact CG-CD1 4.46Å; P394-Y397 WeakPolarHBondContact O-CD1 3.3Å; P394-Y424 HydrophobicContact CG-CG 4.42Å; P394-I426 HydrophobicContact CB-CD1 4.06Å; P394-I426 HydrophobicContact CB-CG1 4.5Å; P394-I426 HydrophobicContact CG-CD1 4.12Å; P394-I426 HydrophobicContact CG-CG1 4.22Å; P394-V437 HydrophobicContact CG-CB 4.22Å; P394-V437 HydrophobicContact CG-CG2 4.38Å
395R78.4Confident79.6Confident258 Ų25891 Ų9197%0.97445%0.45SS*.SBendtrans-67.2-17.9178.2-66-177-178.5164.30.3113.7
396A82.9Confident81.7Confident79 Ų7986 Ų8665%0.65344%0.438SS*.SBendtrans-134.4119.8177.100000108.4P394P394-A396 PolarHBondContact O-N 2.79Å
397Y87.1Confident83.8Confident89 Ų8983.8 Ų83.835%0.34941%0.414SS..  trans-144152.5174.857.4-89.4000108.2D389 P394 Y424 V425D389-Y397 PolarHBondContact OD2-OH 2.88Å; P394-Y397 HydrophobicContact CG-CD1 4.46Å; P394-Y397 WeakPolarHBondContact O-CD1 3.3Å; Y397-Y424 AromaticContact CD1-CD1 3.72Å; Y397-Y424 HydrophobicContact CD1-CD1 3.72Å; Y397-Y424 HydrophobicContact CD1-CE1 4.43Å; Y397-Y424 AromaticContact CD2-CD1 3.97Å; Y397-Y424 HydrophobicContact CD2-CD1 3.97Å; Y397-Y424 AromaticContact CE1-CD1 3.73Å; Y397-Y424 HydrophobicContact CE1-CD1 3.73Å; Y397-Y424 HydrophobicContact CE1-CE1 4.01Å; Y397-Y424 AromaticContact CE2-CD1 4Å; Y397-Y424 HydrophobicContact CE2-CD1 4Å; Y397-Y424 HydrophobicContact CE2-CE1 4.43Å; Y397-Y424 AromaticContact CG-CD1 3.84Å; Y397-Y424 HydrophobicContact CG-CD1 3.84Å; Y397-Y424 AromaticContact CZ-CD1 3.89Å; Y397-V425 CarbonylContact C-O 3.58Å; Y397-V425 WeakPolarHBondContact CA-O 3.34Å; Y397-V425 WeakPolarHBondContact CB-O 3.39Å
398L88.6Confident85.8Confident115 Ų11580.3 Ų80.360%0.60241%0.405SS*.SBendtrans-74.2-47.3177.6-76.993.3000111.2V425 I426L398-V425 PolarHBondContact N-O 2.86Å; L398-I426 WeakPolarHBondContact CD1-O 3.27Å
399E90.9Very high87.1Confident45 Ų4576.4 Ų76.421%0.2139%0.385CS..EExtended strand (participates in β ladder)trans-156.5160.2-176.361.4177.1-148.500112.1V401 V425 K428E399-V401 HydrophobicContact CG-CG1 3.93Å; E399-V401 WeakPolarHBondContact OE1-CG1 3.48Å; E399-V425 HydrophobicContact CG-CB 3.87Å; E399-V425 HydrophobicContact CG-CG1 4.5Å; E399-V425 HydrophobicContact CG-CG2 3.92Å; E399-V425 PolarHBondContact O-N 2.92Å; E399-K428 WeakPolarHBondContact OE1-CE 3.41Å; E399-K428 IonicContact OE1-NZ 2.68Å; E399-K428 PolarHBondContact OE1-NZ 3.27Å; E399-K428 IonicContact OE2-NZ 3.98Å; E399-K428 PolarHBondContact OE2-NZ 3.43Å
400K92.3Very high88.1Confident75 Ų7579.9 Ų79.933%0.32640%0.404SS..EExtended strand (participates in β ladder)trans-100.6127.2173-163.6-178.1-174.6162.30108.7D389 I422 Y424 I453D389-K400 IonicContact OD1-NZ 3.21Å; K400-I422 HydrophobicContact CD-CG2 4.12Å; K400-I422 HydrophobicContact CG-CG2 3.82Å; K400-Y424 HydrophobicContact CD-CE1 4.4Å; K400-Y424 HydrophobicContact CG-CE1 4.37Å; K400-I453 HydrophobicContact CD-CD1 4.2Å; K400-I453 HydrophobicContact CG-CD1 3.89Å; K400-I453 PolarHBondContact O-N 3.12Å
401V94.3Very high88.8Confident1 Ų183.9 Ų83.91%0.00642%0.417CS..EExtended strand (participates in β ladder)trans-125.7149.6-178.5-56.20000110.8E399 I422 I423 V425 F445 V450 E451E399-V401 HydrophobicContact CG-CG1 3.93Å; E399-V401 WeakPolarHBondContact OE1-CG1 3.48Å; V401-I422 WeakPolarHBondContact O-CA 3.36Å; V401-I423 HydrophobicContact CG2-CB 3.84Å; V401-I423 WeakPolarHBondContact CG2-O 3.48Å; V401-I423 PolarHBondContact N-O 2.91Å; V401-I423 PolarHBondContact O-N 3.43Å; V401-V425 HydrophobicContact CB-CG2 4.36Å; V401-V425 HydrophobicContact CG1-CG2 3.68Å; V401-V425 HydrophobicContact CG2-CG2 3.7Å; V401-F445 HydrophobicContact CG2-CZ 4.36Å; V401-V450 HydrophobicContact CB-CB 3.91Å; V401-V450 HydrophobicContact CB-CG2 4.03Å; V401-V450 HydrophobicContact CG1-CG2 4.35Å; V401-V450 HydrophobicContact CG2-CB 3.75Å; V401-V450 HydrophobicContact CG2-CG1 3.99Å; V401-V450 HydrophobicContact CG2-CG2 3.85Å; V401-E451 CarbonylContact C-O 3.59Å; V401-E451 WeakPolarHBondContact CA-O 3.36Å; V401-E451 WeakPolarHBondContact CB-O 3.48Å
402V95Very high89.5Confident39 Ų3986.4 Ų86.424%0.23642%0.417CS..EExtended strand (participates in β ladder)trans-107.7134.8173.162.70000109.1I404 A421 I422 V450 E451 I453V402-I404 PolarHBondContact O-N 2.87Å; V402-A421 CarbonylContact C-O 3.49Å; V402-A421 WeakPolarHBondContact CA-O 3.43Å; V402-I422 HydrophobicContact CB-CD1 4.4Å; V402-I422 HydrophobicContact CG2-CD1 4.41Å; V402-V450 CarbonylContact O-C 3.51Å; V402-V450 WeakPolarHBondContact O-CA 3.49Å; V402-E451 HydrophobicContact CG1-CB 4.36Å; V402-E451 PolarHBondContact N-O 2.92Å; V402-E451 PolarHBondContact O-N 2.68Å; V402-I453 HydrophobicContact CB-CD1 3.77Å; V402-I453 HydrophobicContact CB-CG1 3.9Å; V402-I453 HydrophobicContact CG1-CD1 4.48Å; V402-I453 HydrophobicContact CG1-CG1 4.09Å
403A95.1Very high90.3Very high3 Ų386.6 Ų86.63%0.02542%0.424CS..EExtended strand (participates in β ladder)trans-68.5129173.300000110.6F417 Q418 G420 A421 Y449A403-F417 HydrophobicContact CB-CD2 3.39Å; A403-F417 HydrophobicContact CB-CE2 3.56Å; A403-F417 HydrophobicContact CB-CG 4.43Å; A403-Q418 WeakPolarHBondContact CB-O 3.26Å; A403-G420 PolarHBondContact O-N 3.34Å; A403-A421 HydrophobicContact CB-CB 4.24Å; A403-A421 PolarHBondContact N-O 3.23Å; A403-Y449 WeakPolarHBondContact CA-O 3.45Å
404I96Very high91Very high54 Ų5486.4 Ų86.428%0.27742%0.421SS..SBendtrans-99.5-7.6175.554.9164.6000112.4V402 Y449 E451V402-I404 PolarHBondContact O-N 2.87Å; I404-Y449 VanDerWaalsContact CG1-O 3.29Å; I404-Y449 WeakPolarHBondContact CG1-O 3.32Å; I404-Y449 PolarHBondContact N-O 3.37Å; I404-E451 HydrophobicContact CG2-CB 3.93Å
405Y93.3Very high91.5Very high129 Ų12985.3 Ų85.351%0.50641%0.414SS..SBendtrans-145.3156.3174.6-57.2-66.4000110.5F417 Y449Y405-F417 WeakPolarHBondContact O-CE2 3.49Å; Y405-Y449 HydrophobicContact CD2-CD1 4.36Å; Y405-Y449 HydrophobicContact CD2-CG 4.46Å; Y405-Y449 HydrophobicContact CG-CD1 4.45Å
406D95.1Very high92.3Very high102 Ų10275.1 Ų75.155%0.54538%0.382SS..  trans-66.4139.9168.2-66.6-22.9000110.9Q418 E419D406-Q418 WeakPolarHBondContact OD1-CA 3.28Å; D406-E419 PolarHBondContact OD1-N 2.94Å
407Y95.8Very high92.9Very high24 Ų2471.9 Ų71.99%0.09435%0.353CS..BIsolated β-bridgetrans-135.7126.2173.5-176.7-113000110.8E414 L415 S416 F417 W433 F445 P446 Y449Y407-E414 PolarHBondContact OH-OE2 2.85Å; Y407-L415 WeakPolarHBondContact CD1-O 3.38Å; Y407-S416 CarbonylContact O-C 3.58Å; Y407-S416 WeakPolarHBondContact O-CA 3.46Å; Y407-S416 WeakPolarHBondContact O-CB 3.38Å; Y407-F417 HydrophobicContact CD1-CD1 4.47Å; Y407-F417 AromaticContact CD1-CE1 3.84Å; Y407-F417 HydrophobicContact CD1-CE1 3.84Å; Y407-F417 HydrophobicContact CD1-CZ 4.13Å; Y407-F417 HydrophobicContact CG-CE1 4.3Å; Y407-F417 HydrophobicContact CG-CZ 4.15Å; Y407-F417 PolarHBondContact N-O 2.81Å; Y407-F417 PolarHBondContact O-N 2.96Å; Y407-F417 VanDerWaalsContact O-O 3.06Å; Y407-W433 WeakPolarHBondContact OH-CH2 3.45Å; Y407-W433 WeakPolarHBondContact OH-CZ3 3.45Å; Y407-F445 HydrophobicContact CD1-CB 4.27Å; Y407-F445 HydrophobicContact CE1-CB 4.31Å; Y407-P446 HydrophobicContact CD1-CG 4.49Å; Y407-P446 HydrophobicContact CD2-CG 3.9Å; Y407-P446 HydrophobicContact CE1-CG 4.43Å; Y407-P446 HydrophobicContact CE2-CG 3.85Å; Y407-P446 HydrophobicContact CG-CG 4.25Å; Y407-Y449 HydrophobicContact CD2-CD1 4.34Å; Y407-Y449 HydrophobicContact CD2-CE1 4.21Å
408T94.6Very high93.3Very high107 Ų10774.7 Ų74.766%0.65637%0.369SS*.  trans-107.7133.2175.2-55.60000108.3
409K91.6Very high93.5Very high105 Ų10575.7 Ų75.746%0.45737%0.371SS..  trans-66.7134.1-18070-175.3-172.7169.80110.6E414 S416K409-E414 HydrophobicContact CB-CB 3.68Å; K409-E414 WeakPolarHBondContact CB-O 3.33Å; K409-E414 VanDerWaalsContact CD-O 3.27Å; K409-E414 WeakPolarHBondContact CD-O 3.43Å; K409-S416 WeakPolarHBondContact CB-OG 3.39Å; K409-S416 WeakPolarHBondContact CG-OG 3.47Å; K409-S416 PolarHBondContact N-OG 3.23Å
410D88.6Confident93.5Very high146 Ų14675.7 Ų75.778%0.78138%0.383SS*.SBendtrans-94.8-29171.2-73.5-26.1000110.8E414D410-E414 WeakPolarHBondContact CA-OE2 3.46Å; D410-E414 PolarHBondContact N-OE2 3.22Å
411K91.3Very high93.5Very high127 Ų12773 Ų7355%0.55238%0.375SS*.SBendtrans-117.5165.9177.1-57.5177.1-166.2143.60112.8D413 E414K411-D413 VanDerWaalsContact C-N 3.29Å; K411-D413 WeakPolarHBondContact CB-OD1 3.46Å; K411-D413 PolarHBondContact O-N 3.26Å; K411-E414 HydrophobicContact CB-CG 4.14Å; K411-E414 PolarHBondContact N-OE2 2.95Å; K411-E414 VanDerWaalsContact N-OE2 3.07Å; K411-E414 IonicContact NZ-OE1 2.92Å; K411-E414 PolarHBondContact O-N 3.29Å
412E88.3Confident93.4Very high190 Ų19076 Ų7689%0.88839%0.391SS*.THydrogen-bonded Turntrans-70.4-25.6-176.6-66.1-174.5176.200113.5
413D92.1Very high93.4Very high88 Ų8874.2 Ų74.247%0.47138%0.379SS..THydrogen-bonded Turntrans-85.8-3.6178.658.3-41.1000113.9K411 G443 L444K411-D413 VanDerWaalsContact C-N 3.29Å; K411-D413 WeakPolarHBondContact CB-OD1 3.46Å; K411-D413 PolarHBondContact O-N 3.26Å; D413-G443 CarbonylContact O-C 3.51Å; D413-G443 VanDerWaalsContact O-CA 3.32Å; D413-G443 WeakPolarHBondContact O-CA 3.33Å; D413-L444 PolarHBondContact O-N 3.42Å
414E95.1Very high93.4Very high12 Ų1274.2 Ų74.26%0.05638%0.379CS..BIsolated β-bridgetrans-94.5147.3-178.4-68.8169.6-170.700112.4Y407 K409 D410 K411 W433 L444Y407-E414 PolarHBondContact OH-OE2 2.85Å; K409-E414 HydrophobicContact CB-CB 3.68Å; K409-E414 WeakPolarHBondContact CB-O 3.33Å; K409-E414 VanDerWaalsContact CD-O 3.27Å; K409-E414 WeakPolarHBondContact CD-O 3.43Å; D410-E414 WeakPolarHBondContact CA-OE2 3.46Å; D410-E414 PolarHBondContact N-OE2 3.22Å; K411-E414 HydrophobicContact CB-CG 4.14Å; K411-E414 PolarHBondContact N-OE2 2.95Å; K411-E414 VanDerWaalsContact N-OE2 3.07Å; K411-E414 IonicContact NZ-OE1 2.92Å; K411-E414 PolarHBondContact O-N 3.29Å; E414-W433 HydrophobicContact CG-CH2 4.2Å; E414-W433 HydrophobicContact CG-CZ3 3.84Å; E414-L444 CarbonylContact C-O 3.54Å; E414-L444 WeakPolarHBondContact CA-O 3.26Å; E414-L444 HydrophobicContact CG-CB 4.5Å
415L94.4Very high93.3Very high4 Ų471.7 Ų71.72%0.02137%0.366CS..PPolyproline II helixtrans-98.3118.3-177.7-175.168.3000110.4Y407 F417 I423 M438 V441 L444 F445Y407-L415 WeakPolarHBondContact CD1-O 3.38Å; L415-F417 HydrophobicContact CG-CD1 4.38Å; L415-F417 WeakPolarHBondContact O-CD1 3.18Å; L415-I423 HydrophobicContact CD2-CG2 4.05Å; L415-M438 HydrophobicContact CD1-CB 4.49Å; L415-M438 HydrophobicContact CD2-CB 4Å; L415-V441 HydrophobicContact CD1-CB 4.07Å; L415-V441 HydrophobicContact CD1-CG1 3.84Å; L415-V441 WeakPolarHBondContact CD1-O 3.5Å; L415-L444 PolarHBondContact N-O 3Å; L415-F445 HydrophobicContact CB-CD1 4.49Å; L415-F445 HydrophobicContact CD2-CD1 4.13Å
416S95.3Very high93.3Very high44 Ų4468.5 Ų68.531%0.30836%0.357SS..PPolyproline II helixtrans-87.1140.2172.6-49.60000111.7Y407 K409 M438Y407-S416 CarbonylContact O-C 3.58Å; Y407-S416 WeakPolarHBondContact O-CA 3.46Å; Y407-S416 WeakPolarHBondContact O-CB 3.38Å; K409-S416 WeakPolarHBondContact CB-OG 3.39Å; K409-S416 WeakPolarHBondContact CG-OG 3.47Å; K409-S416 PolarHBondContact N-OG 3.23Å; S416-M438 WeakPolarHBondContact O-CE 3.33Å
417F95.7Very high93.3Very high11 Ų1168.9 Ų68.95%0.04835%0.354CS..BIsolated β-bridgetrans-153.9167.2177.752-97000111.6A403 Y405 Y407 L415 A421 I423 M438 F445 V450A403-F417 HydrophobicContact CB-CD2 3.39Å; A403-F417 HydrophobicContact CB-CE2 3.56Å; A403-F417 HydrophobicContact CB-CG 4.43Å; Y405-F417 WeakPolarHBondContact O-CE2 3.49Å; Y407-F417 HydrophobicContact CD1-CD1 4.47Å; Y407-F417 AromaticContact CD1-CE1 3.84Å; Y407-F417 HydrophobicContact CD1-CE1 3.84Å; Y407-F417 HydrophobicContact CD1-CZ 4.13Å; Y407-F417 HydrophobicContact CG-CE1 4.3Å; Y407-F417 HydrophobicContact CG-CZ 4.15Å; Y407-F417 PolarHBondContact N-O 2.81Å; Y407-F417 PolarHBondContact O-N 2.96Å; Y407-F417 VanDerWaalsContact O-O 3.06Å; L415-F417 HydrophobicContact CG-CD1 4.38Å; L415-F417 WeakPolarHBondContact O-CD1 3.18Å; F417-A421 HydrophobicContact CB-CB 3.96Å; F417-I423 HydrophobicContact CB-CD1 4.39Å; F417-I423 HydrophobicContact CD1-CD1 3.5Å; F417-I423 VanDerWaalsContact CD1-CD1 3.5Å; F417-I423 HydrophobicContact CD2-CD1 4.16Å; F417-I423 HydrophobicContact CE1-CD1 3.65Å; F417-I423 HydrophobicContact CE2-CD1 4.29Å; F417-I423 HydrophobicContact CG-CD1 3.76Å; F417-I423 HydrophobicContact CZ-CD1 4.04Å; F417-M438 HydrophobicContact CB-CE 3.76Å; F417-M438 HydrophobicContact CB-SD 3.54Å; F417-M438 VanDerWaalsContact CB-SD 3.54Å; F417-F445 HydrophobicContact CE1-CB 3.48Å; F417-F445 VanDerWaalsContact CE1-CB 3.48Å; F417-F445 AromaticContact CE1-CD2 3.97Å; F417-F445 HydrophobicContact CE1-CD2 3.97Å; F417-F445 AromaticContact CE1-CG 3.76Å; F417-F445 HydrophobicContact CE1-CG 3.76Å; F417-F445 HydrophobicContact CZ-CB 4.09Å; F417-F445 HydrophobicContact CZ-CD2 4.06Å; F417-F445 HydrophobicContact CZ-CG 4.29Å; F417-V450 HydrophobicContact CE2-CG1 4.48Å; F417-V450 HydrophobicContact CZ-CG1 4.29Å
418Q95.6Very high93.2Very high148 Ų14871.4 Ų71.469%0.69237%0.365SS*.  trans-105.4158176.1-68.8179.4-2600110.7A403 D406 G420 A421A403-Q418 WeakPolarHBondContact CB-O 3.26Å; D406-Q418 WeakPolarHBondContact OD1-CA 3.28Å; Q418-G420 PolarHBondContact O-N 3.46Å; Q418-A421 WeakPolarHBondContact O-CB 3.47Å; Q418-A421 PolarHBondContact O-N 3.46Å
419E93.1Very high93.1Very high135 Ų13568.7 Ų68.763%0.63135%0.347SS*.THydrogen-bonded Turntrans-51.4133.4169.1-176.2-177.8163.300110D406 A421D406-E419 PolarHBondContact OD1-N 2.94Å; E419-A421 VanDerWaalsContact C-N 3.34Å
420G90.7Very high92.9Very high46 Ų4672.3 Ų72.347%0.47437%0.371SS..THydrogen-bonded Turntrans85.4-4-174.500000114.9A403 Q418A403-G420 PolarHBondContact O-N 3.34Å; Q418-G420 PolarHBondContact O-N 3.46Å
421A92.6Very high92.9Very high19 Ų1970.6 Ų70.616%0.15736%0.362CS..  trans-68.2140.8177.100000112.3V402 A403 F417 Q418 E419 M438V402-A421 CarbonylContact C-O 3.49Å; V402-A421 WeakPolarHBondContact CA-O 3.43Å; A403-A421 HydrophobicContact CB-CB 4.24Å; A403-A421 PolarHBondContact N-O 3.23Å; F417-A421 HydrophobicContact CB-CB 3.96Å; Q418-A421 WeakPolarHBondContact O-CB 3.47Å; Q418-A421 PolarHBondContact O-N 3.46Å; E419-A421 VanDerWaalsContact C-N 3.34Å; A421-M438 HydrophobicContact CB-SD 3.68Å
422I93.4Very high93Very high64 Ų6466.2 Ų66.233%0.32835%0.353SS..EExtended strand (participates in β ladder)trans-93.2126.5177.6-56.7-69.3000109.2K400 V401 V402 Y424 I453K400-I422 HydrophobicContact CD-CG2 4.12Å; K400-I422 HydrophobicContact CG-CG2 3.82Å; V401-I422 WeakPolarHBondContact O-CA 3.36Å; V402-I422 HydrophobicContact CB-CD1 4.4Å; V402-I422 HydrophobicContact CG2-CD1 4.41Å; I422-Y424 HydrophobicContact CG2-CE2 4.14Å; I422-I453 HydrophobicContact CD1-CD1 3.24Å; I422-I453 HydrophobicContact CG2-CD1 4.37Å
423I94.6Very high93.3Very high0 Ų060.6 Ų60.60%032%0.324CS..EExtended strand (participates in β ladder)trans-125135.3-179.6-49172.2000109.1V401 L415 F417 M438 F445 V450V401-I423 HydrophobicContact CG2-CB 3.84Å; V401-I423 WeakPolarHBondContact CG2-O 3.48Å; V401-I423 PolarHBondContact N-O 2.91Å; V401-I423 PolarHBondContact O-N 3.43Å; L415-I423 HydrophobicContact CD2-CG2 4.05Å; F417-I423 HydrophobicContact CB-CD1 4.39Å; F417-I423 HydrophobicContact CD1-CD1 3.5Å; F417-I423 VanDerWaalsContact CD1-CD1 3.5Å; F417-I423 HydrophobicContact CD2-CD1 4.16Å; F417-I423 HydrophobicContact CE1-CD1 3.65Å; F417-I423 HydrophobicContact CE2-CD1 4.29Å; F417-I423 HydrophobicContact CG-CD1 3.76Å; F417-I423 HydrophobicContact CZ-CD1 4.04Å; I423-M438 HydrophobicContact CG1-CB 4.29Å; I423-F445 HydrophobicContact CB-CZ 4.38Å; I423-F445 HydrophobicContact CD1-CD2 4.48Å; I423-F445 HydrophobicContact CD1-CE1 4.45Å; I423-F445 HydrophobicContact CD1-CE2 4.28Å; I423-F445 HydrophobicContact CD1-CZ 4.24Å; I423-F445 HydrophobicContact CG2-CD1 4.47Å; I423-F445 HydrophobicContact CG2-CE1 3.61Å; I423-F445 HydrophobicContact CG2-CZ 3.76Å; I423-V450 HydrophobicContact CD1-CG1 4.09Å
424Y94.2Very high93.5Very high4 Ų458.8 Ų58.82%0.01631%0.311CS..EExtended strand (participates in β ladder)trans-96110.8175.1-65.7-98.4000108.8D389 W392 A393 P394 Y397 K400 I422 I426 G436 V437D389-Y424 WeakPolarHBondContact OD1-CE1 3.36Å; D389-Y424 PolarHBondContact OD1-OH 3.25Å; W392-Y424 HydrophobicContact CH2-CD2 4.07Å; W392-Y424 AromaticContact CH2-CE2 3.72Å; W392-Y424 HydrophobicContact CH2-CE2 3.72Å; W392-Y424 AromaticContact CZ3-CD2 3.77Å; W392-Y424 HydrophobicContact CZ3-CD2 3.77Å; W392-Y424 AromaticContact CZ3-CE2 3.8Å; W392-Y424 HydrophobicContact CZ3-CE2 3.8Å; A393-Y424 HydrophobicContact CB-CD2 4.4Å; A393-Y424 HydrophobicContact CB-CE1 4.14Å; A393-Y424 HydrophobicContact CB-CE2 4.06Å; P394-Y424 HydrophobicContact CG-CG 4.42Å; Y397-Y424 AromaticContact CD1-CD1 3.72Å; Y397-Y424 HydrophobicContact CD1-CD1 3.72Å; Y397-Y424 HydrophobicContact CD1-CE1 4.43Å; Y397-Y424 AromaticContact CD2-CD1 3.97Å; Y397-Y424 HydrophobicContact CD2-CD1 3.97Å; Y397-Y424 AromaticContact CE1-CD1 3.73Å; Y397-Y424 HydrophobicContact CE1-CD1 3.73Å; Y397-Y424 HydrophobicContact CE1-CE1 4.01Å; Y397-Y424 AromaticContact CE2-CD1 4Å; Y397-Y424 HydrophobicContact CE2-CD1 4Å; Y397-Y424 HydrophobicContact CE2-CE1 4.43Å; Y397-Y424 AromaticContact CG-CD1 3.84Å; Y397-Y424 HydrophobicContact CG-CD1 3.84Å; Y397-Y424 AromaticContact CZ-CD1 3.89Å; K400-Y424 HydrophobicContact CD-CE1 4.4Å; K400-Y424 HydrophobicContact CG-CE1 4.37Å; I422-Y424 HydrophobicContact CG2-CE2 4.14Å; Y424-I426 PolarHBondContact O-N 3.12Å; Y424-G436 CarbonylContact O-C 3.51Å; Y424-G436 WeakPolarHBondContact O-CA 3.4Å; Y424-V437 PolarHBondContact N-O 3.29Å; Y424-V437 PolarHBondContact O-N 3.3Å
425V94.9Very high93.5Very high0 Ų061.5 Ų61.50%032%0.323CS..EExtended strand (participates in β ladder)trans-78.6120.8-175.8-178.20000109.7Y397 L398 E399 V401 K428 F445Y397-V425 CarbonylContact C-O 3.58Å; Y397-V425 WeakPolarHBondContact CA-O 3.34Å; Y397-V425 WeakPolarHBondContact CB-O 3.39Å; L398-V425 PolarHBondContact N-O 2.86Å; E399-V425 HydrophobicContact CG-CB 3.87Å; E399-V425 HydrophobicContact CG-CG1 4.5Å; E399-V425 HydrophobicContact CG-CG2 3.92Å; E399-V425 PolarHBondContact O-N 2.92Å; V401-V425 HydrophobicContact CB-CG2 4.36Å; V401-V425 HydrophobicContact CG1-CG2 3.68Å; V401-V425 HydrophobicContact CG2-CG2 3.7Å; V425-K428 HydrophobicContact CG1-CG 3.91Å; V425-F445 HydrophobicContact CG2-CZ 4.2Å
426I93.4Very high93.6Very high62 Ų6261.3 Ų61.332%0.31832%0.322SS..EExtended strand (participates in β ladder)trans-97.1-27.9178.3-60.9-175.3000111.4P394 L398 Y424 E435 V437P394-I426 HydrophobicContact CB-CD1 4.06Å; P394-I426 HydrophobicContact CB-CG1 4.5Å; P394-I426 HydrophobicContact CG-CD1 4.12Å; P394-I426 HydrophobicContact CG-CG1 4.22Å; L398-I426 WeakPolarHBondContact CD1-O 3.27Å; Y424-I426 PolarHBondContact O-N 3.12Å; I426-E435 PolarHBondContact N-O 3.2Å; I426-V437 HydrophobicContact CD1-CB 4.47Å; I426-V437 HydrophobicContact CD1-CG2 3.39Å; I426-V437 HydrophobicContact CG1-CG2 4.3Å
427K93.6Very high93.5Very high111 Ų11159.6 Ų59.648%0.48331%0.31SS..EExtended strand (participates in β ladder)trans-155.8146.4178.8-169.8-179.5172.2-171.50111.1N429 Y434 E435K427-N429 WeakPolarHBondContact CE-OD1 3.23Å; K427-Y434 WeakPolarHBondContact O-CA 3.47Å; K427-E435 HydrophobicContact CB-CB 4.03Å; K427-E435 PolarHBondContact N-O 3.4Å; K427-E435 VanDerWaalsContact N-O 3.13Å; K427-E435 PolarHBondContact O-N 3.05Å
428K94.9Very high93.3Very high77 Ų7760.2 Ų60.234%0.33531%0.313SS..EExtended strand (participates in β ladder)trans-115.1125.6169.8-62.2-174.2172.4-1770108.6E399 V425 Y434E399-K428 WeakPolarHBondContact OE1-CE 3.41Å; E399-K428 IonicContact OE1-NZ 2.68Å; E399-K428 PolarHBondContact OE1-NZ 3.27Å; E399-K428 IonicContact OE2-NZ 3.98Å; E399-K428 PolarHBondContact OE2-NZ 3.43Å; V425-K428 HydrophobicContact CG1-CG 3.91Å; K428-Y434 HydrophobicContact CB-CD1 3.76Å; K428-Y434 HydrophobicContact CB-CE1 3.76Å; K428-Y434 HydrophobicContact CD-CD1 4.27Å; K428-Y434 HydrophobicContact CD-CE1 3.79Å; K428-Y434 HydrophobicContact CD-CE2 4.19Å; K428-Y434 HydrophobicContact CG-CD1 3.62Å; K428-Y434 HydrophobicContact CG-CD2 4.39Å; K428-Y434 HydrophobicContact CG-CE1 3.64Å; K428-Y434 HydrophobicContact CG-CE2 4.37Å; K428-Y434 HydrophobicContact CG-CG 4.04Å
429N91.8Very high92.9Very high50 Ų5058.5 Ų58.527%0.26731%0.309SS..  trans-95154.5176-64.111.5000110.4K427 D431 G432 W433K427-N429 WeakPolarHBondContact CE-OD1 3.23Å; N429-D431 WeakPolarHBondContact CB-OD1 3.29Å; N429-D431 PolarHBondContact O-N 3.03Å; N429-G432 PolarHBondContact O-N 3.24Å; N429-W433 VanDerWaalsContact CB-O 3.29Å; N429-W433 WeakPolarHBondContact CB-O 3.44Å; N429-W433 PolarHBondContact N-O 3.24Å
430D87.9Confident92.5Very high180 Ų18054.3 Ų54.396%0.96330%0.302SS*.THydrogen-bonded Turntrans-71.9-10.6-177.5-59.3-40.9000113.6G432D430-G432 VanDerWaalsContact C-N 3.29Å
431D89Confident92.5Very high110 Ų11056.2 Ų56.259%0.58830%0.304SS*.THydrogen-bonded Turntrans-85.61.2175.861.5-3.3000113.3N429 W433N429-D431 WeakPolarHBondContact CB-OD1 3.29Å; N429-D431 PolarHBondContact O-N 3.03Å; D431-W433 PolarHBondContact OD1-N 3.23Å; D431-W433 VanDerWaalsContact OD1-N 3.16Å
432G92.3Very high92.5Very high36 Ų3659 Ų5937%0.37132%0.32SS..SBendtrans89.14179.400000114.6N429 D430 G447N429-G432 PolarHBondContact O-N 3.24Å; D430-G432 VanDerWaalsContact C-N 3.29Å; G432-G447 PolarHBondContact O-N 2.98Å
433W95.7Very high92.6Very high72 Ų7256.3 Ų56.327%0.27331%0.307SS..EExtended strand (participates in β ladder)trans-94.7136.1174.7-73.478.7000111.7Y407 E414 N429 D431 L444Y407-W433 WeakPolarHBondContact OH-CH2 3.45Å; Y407-W433 WeakPolarHBondContact OH-CZ3 3.45Å; E414-W433 HydrophobicContact CG-CH2 4.2Å; E414-W433 HydrophobicContact CG-CZ3 3.84Å; N429-W433 VanDerWaalsContact CB-O 3.29Å; N429-W433 WeakPolarHBondContact CB-O 3.44Å; N429-W433 PolarHBondContact N-O 3.24Å; D431-W433 PolarHBondContact OD1-N 3.23Å; D431-W433 VanDerWaalsContact OD1-N 3.16Å; W433-L444 HydrophobicContact CE3-CB 3.93Å; W433-L444 HydrophobicContact CZ3-CB 4.35Å
434Y96.2Very high92.7Very high50 Ų5058.1 Ų58.120%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-108.2142.6177.5-63.4-7.1000109.7K427 K428 L444 F445 V450K427-Y434 WeakPolarHBondContact O-CA 3.47Å; K428-Y434 HydrophobicContact CB-CD1 3.76Å; K428-Y434 HydrophobicContact CB-CE1 3.76Å; K428-Y434 HydrophobicContact CD-CD1 4.27Å; K428-Y434 HydrophobicContact CD-CE1 3.79Å; K428-Y434 HydrophobicContact CD-CE2 4.19Å; K428-Y434 HydrophobicContact CG-CD1 3.62Å; K428-Y434 HydrophobicContact CG-CD2 4.39Å; K428-Y434 HydrophobicContact CG-CE1 3.64Å; K428-Y434 HydrophobicContact CG-CE2 4.37Å; K428-Y434 HydrophobicContact CG-CG 4.04Å; Y434-L444 CarbonylContact O-C 3.47Å; Y434-L444 VanDerWaalsContact O-CA 3.31Å; Y434-L444 WeakPolarHBondContact O-CA 3.37Å; Y434-F445 HydrophobicContact CD2-CE2 4.13Å; Y434-F445 HydrophobicContact CD2-CZ 4.38Å; Y434-F445 HydrophobicContact CG-CE2 4.46Å; Y434-F445 PolarHBondContact N-O 2.61Å; Y434-F445 WeakPolarHBondContact O-CD1 3.44Å; Y434-F445 PolarHBondContact O-N 2.91Å; Y434-V450 HydrophobicContact CD2-CG2 4.2Å; Y434-V450 HydrophobicContact CE2-CG2 4.32Å
435E95.5Very high92.8Very high68 Ų6858 Ų5832%0.31832%0.316SS..EExtended strand (participates in β ladder)trans-100.9126.5169.7-169.8179.3179.500107.9I426 K427 T442 L444I426-E435 PolarHBondContact N-O 3.2Å; K427-E435 HydrophobicContact CB-CB 4.03Å; K427-E435 PolarHBondContact N-O 3.4Å; K427-E435 VanDerWaalsContact N-O 3.13Å; K427-E435 PolarHBondContact O-N 3.05Å; E435-T442 HydrophobicContact CG-CG2 4.11Å; E435-L444 HydrophobicContact CB-CD2 3.92Å; E435-L444 HydrophobicContact CG-CD2 4.37Å
436G94.8Very high92.8Very high0 Ų058.6 Ų58.60%032%0.32CS..EExtended strand (participates in β ladder)trans-154.3172.6-18000000113.5Y424 T442 G443Y424-G436 CarbonylContact O-C 3.51Å; Y424-G436 WeakPolarHBondContact O-CA 3.4Å; G436-T442 WeakPolarHBondContact O-CA 3.39Å; G436-G443 PolarHBondContact N-O 3.35Å; G436-G443 VanDerWaalsContact N-O 3.11Å; G436-G443 PolarHBondContact O-N 3.12Å; G436-G443 VanDerWaalsContact O-N 3.1Å
437V94.3Very high92.9Very high9 Ų956.1 Ų56.16%0.05531%0.31CS..EExtended strand (participates in β ladder)trans-117.6129.6-176.7177.60000110W392 P394 Y424 I426 V441 T442W392-V437 HydrophobicContact CE3-CG1 4.14Å; W392-V437 HydrophobicContact CZ3-CG1 4.35Å; P394-V437 HydrophobicContact CG-CB 4.22Å; P394-V437 HydrophobicContact CG-CG2 4.38Å; Y424-V437 PolarHBondContact N-O 3.29Å; Y424-V437 PolarHBondContact O-N 3.3Å; I426-V437 HydrophobicContact CD1-CB 4.47Å; I426-V437 HydrophobicContact CD1-CG2 3.39Å; I426-V437 HydrophobicContact CG1-CG2 4.3Å; V437-V441 WeakPolarHBondContact CA-O 3.34Å; V437-T442 HydrophobicContact CG2-CG2 4.03Å; V437-T442 WeakPolarHBondContact CG2-OG1 3.24Å
438M92.2Very high93Very high24 Ų2456.1 Ų56.112%0.11832%0.315CS..EExtended strand (participates in β ladder)trans-134.7127.9171.4-176.4-167.264.900108.8L415 S416 F417 A421 I423 G440 V441L415-M438 HydrophobicContact CD1-CB 4.49Å; L415-M438 HydrophobicContact CD2-CB 4Å; S416-M438 WeakPolarHBondContact O-CE 3.33Å; F417-M438 HydrophobicContact CB-CE 3.76Å; F417-M438 HydrophobicContact CB-SD 3.54Å; F417-M438 VanDerWaalsContact CB-SD 3.54Å; A421-M438 HydrophobicContact CB-SD 3.68Å; I423-M438 HydrophobicContact CG1-CB 4.29Å; M438-G440 PolarHBondContact O-N 2.78Å; M438-G440 VanDerWaalsContact O-N 3.14Å; M438-V441 PolarHBondContact N-O 3.38Å; M438-V441 PolarHBondContact O-N 3.37Å
439N86.9Confident93Very high111 Ų11156 Ų5659%0.59431%0.313SS*.THydrogen-bonded Turntrans52.734.7179.8-60.6-32.6000113.8V441N439-V441 VanDerWaalsContact C-N 3.27Å; N439-V441 PolarHBondContact O-N 3.37Å
440G84.8Confident93.1Very high47 Ų4754.4 Ų54.449%0.48531%0.305SS..THydrogen-bonded Turntrans76.64.2-178.400000115.4M438M438-G440 PolarHBondContact O-N 2.78Å; M438-G440 VanDerWaalsContact O-N 3.14Å
441V89.9Confident93.4Very high87 Ų8750.9 Ų50.953%0.52728%0.283SS..EExtended strand (participates in β ladder)trans-101.2125.2174.4-1770000109.1L415 V437 M438 N439L415-V441 HydrophobicContact CD1-CB 4.07Å; L415-V441 HydrophobicContact CD1-CG1 3.84Å; L415-V441 WeakPolarHBondContact CD1-O 3.5Å; V437-V441 WeakPolarHBondContact CA-O 3.34Å; M438-V441 PolarHBondContact N-O 3.38Å; M438-V441 PolarHBondContact O-N 3.37Å; N439-V441 VanDerWaalsContact C-N 3.27Å; N439-V441 PolarHBondContact O-N 3.37Å
442T93.1Very high93.4Very high78 Ų7848.4 Ų48.448%0.47927%0.274SS..EExtended strand (participates in β ladder)trans-94.4138.8173.9-45.60000110E435 G436 V437E435-T442 HydrophobicContact CG-CG2 4.11Å; G436-T442 WeakPolarHBondContact O-CA 3.39Å; V437-T442 HydrophobicContact CG2-CG2 4.03Å; V437-T442 WeakPolarHBondContact CG2-OG1 3.24Å
443G94.9Very high93.1Very high6 Ų649.2 Ų49.26%0.06227%0.27CS..EExtended strand (participates in β ladder)trans-172.8175.8169.600000112.8D413 G436D413-G443 CarbonylContact O-C 3.51Å; D413-G443 VanDerWaalsContact O-CA 3.32Å; D413-G443 WeakPolarHBondContact O-CA 3.33Å; G436-G443 PolarHBondContact N-O 3.35Å; G436-G443 VanDerWaalsContact N-O 3.11Å; G436-G443 PolarHBondContact O-N 3.12Å; G436-G443 VanDerWaalsContact O-N 3.1Å
444L95.9Very high91.7Very high39 Ų3954 Ų5420%0.20430%0.297CS..EExtended strand (participates in β ladder)trans-86.4142.8178.5-69.3172.7000111.7D413 E414 L415 W433 Y434 E435D413-L444 PolarHBondContact O-N 3.42Å; E414-L444 CarbonylContact C-O 3.54Å; E414-L444 WeakPolarHBondContact CA-O 3.26Å; E414-L444 HydrophobicContact CG-CB 4.5Å; L415-L444 PolarHBondContact N-O 3Å; W433-L444 HydrophobicContact CE3-CB 3.93Å; W433-L444 HydrophobicContact CZ3-CB 4.35Å; Y434-L444 CarbonylContact O-C 3.47Å; Y434-L444 VanDerWaalsContact O-CA 3.31Å; Y434-L444 WeakPolarHBondContact O-CA 3.37Å; E435-L444 HydrophobicContact CB-CD2 3.92Å; E435-L444 HydrophobicContact CG-CD2 4.37Å
445F96.4Very high89.4Confident0 Ų059.9 Ų59.90%033%0.326CS..EExtended strand (participates in β ladder)trans-150156.1173.863.3-86.2000112.6V401 Y407 L415 F417 I423 V425 Y434 G447 V450V401-F445 HydrophobicContact CG2-CZ 4.36Å; Y407-F445 HydrophobicContact CD1-CB 4.27Å; Y407-F445 HydrophobicContact CE1-CB 4.31Å; L415-F445 HydrophobicContact CB-CD1 4.49Å; L415-F445 HydrophobicContact CD2-CD1 4.13Å; F417-F445 HydrophobicContact CE1-CB 3.48Å; F417-F445 VanDerWaalsContact CE1-CB 3.48Å; F417-F445 AromaticContact CE1-CD2 3.97Å; F417-F445 HydrophobicContact CE1-CD2 3.97Å; F417-F445 AromaticContact CE1-CG 3.76Å; F417-F445 HydrophobicContact CE1-CG 3.76Å; F417-F445 HydrophobicContact CZ-CB 4.09Å; F417-F445 HydrophobicContact CZ-CD2 4.06Å; F417-F445 HydrophobicContact CZ-CG 4.29Å; I423-F445 HydrophobicContact CB-CZ 4.38Å; I423-F445 HydrophobicContact CD1-CD2 4.48Å; I423-F445 HydrophobicContact CD1-CE1 4.45Å; I423-F445 HydrophobicContact CD1-CE2 4.28Å; I423-F445 HydrophobicContact CD1-CZ 4.24Å; I423-F445 HydrophobicContact CG2-CD1 4.47Å; I423-F445 HydrophobicContact CG2-CE1 3.61Å; I423-F445 HydrophobicContact CG2-CZ 3.76Å; V425-F445 HydrophobicContact CG2-CZ 4.2Å; Y434-F445 HydrophobicContact CD2-CE2 4.13Å; Y434-F445 HydrophobicContact CD2-CZ 4.38Å; Y434-F445 HydrophobicContact CG-CE2 4.46Å; Y434-F445 PolarHBondContact N-O 2.61Å; Y434-F445 WeakPolarHBondContact O-CD1 3.44Å; Y434-F445 PolarHBondContact O-N 2.91Å; F445-G447 PolarHBondContact O-N 3.16Å; F445-V450 HydrophobicContact CD2-CG1 3.96Å; F445-V450 HydrophobicContact CE2-CB 4.31Å; F445-V450 HydrophobicContact CE2-CG1 3.54Å; F445-V450 HydrophobicContact CE2-CG2 3.78Å
446P96Very high86.8Confident13 Ų1366.9 Ų66.98%0.08435%0.351CS..EExtended strand (participates in β ladder)trans-69.1125179.425.8-34.2000111.6Y407 N448 Y449Y407-P446 HydrophobicContact CD1-CG 4.49Å; Y407-P446 HydrophobicContact CD2-CG 3.9Å; Y407-P446 HydrophobicContact CE1-CG 4.43Å; Y407-P446 HydrophobicContact CE2-CG 3.85Å; Y407-P446 HydrophobicContact CG-CG 4.25Å; P446-N448 WeakPolarHBondContact CB-OD1 3.47Å; P446-N448 PolarHBondContact O-N 2.97Å; P446-Y449 HydrophobicContact CB-CD2 3.78Å; P446-Y449 HydrophobicContact CB-CE2 4.25Å; P446-Y449 HydrophobicContact CG-CD1 4.49Å; P446-Y449 HydrophobicContact CG-CD2 3.44Å; P446-Y449 VanDerWaalsContact CG-CD2 3.44Å; P446-Y449 HydrophobicContact CG-CE2 3.89Å; P446-Y449 HydrophobicContact CG-CG 3.8Å; P446-Y449 PolarHBondContact O-N 2.96Å; P446-Y449 VanDerWaalsContact O-N 3.12Å
447G94.3Very high83.9Confident10 Ų1072.4 Ų72.410%0.10339%0.39CS..G310 helixtrans-63.9-21.8-177.600000114.3G432 F445 Y449 V450G432-G447 PolarHBondContact O-N 2.98Å; F445-G447 PolarHBondContact O-N 3.16Å; G447-Y449 PolarHBondContact O-N 3.45Å; G447-V450 VanDerWaalsContact O-CG2 3.28Å; G447-V450 WeakPolarHBondContact O-CG2 3.27Å; G447-V450 PolarHBondContact O-N 2.93Å
448N96.1Very high80.8Confident111 Ų11184.6 Ų84.659%0.59445%0.446SS*.G310 helixtrans-78.90.5177.570.3-64.3000114.2P446P446-N448 WeakPolarHBondContact CB-OD1 3.47Å; P446-N448 PolarHBondContact O-N 2.97Å
449Y95.4Very high80.2Confident75 Ų7587.6 Ų87.629%0.29446%0.462SS..G310 helixtrans-97.72.3175.8-80.2-119.9000112.5A403 I404 Y405 Y407 P446 G447A403-Y449 WeakPolarHBondContact CA-O 3.45Å; I404-Y449 VanDerWaalsContact CG1-O 3.29Å; I404-Y449 WeakPolarHBondContact CG1-O 3.32Å; I404-Y449 PolarHBondContact N-O 3.37Å; Y405-Y449 HydrophobicContact CD2-CD1 4.36Å; Y405-Y449 HydrophobicContact CD2-CG 4.46Å; Y405-Y449 HydrophobicContact CG-CD1 4.45Å; Y407-Y449 HydrophobicContact CD2-CD1 4.34Å; Y407-Y449 HydrophobicContact CD2-CE1 4.21Å; P446-Y449 HydrophobicContact CB-CD2 3.78Å; P446-Y449 HydrophobicContact CB-CE2 4.25Å; P446-Y449 HydrophobicContact CG-CD1 4.49Å; P446-Y449 HydrophobicContact CG-CD2 3.44Å; P446-Y449 VanDerWaalsContact CG-CD2 3.44Å; P446-Y449 HydrophobicContact CG-CE2 3.89Å; P446-Y449 HydrophobicContact CG-CG 3.8Å; P446-Y449 PolarHBondContact O-N 2.96Å; P446-Y449 VanDerWaalsContact O-N 3.12Å; G447-Y449 PolarHBondContact O-N 3.45Å
450V94.2Very high79.9Confident16 Ų1686.4 Ų86.410%0.09746%0.455CS..EExtended strand (participates in β ladder)trans-134.8156.9-175.8-58.90000112V401 V402 F417 I423 Y434 F445 G447V401-V450 HydrophobicContact CB-CB 3.91Å; V401-V450 HydrophobicContact CB-CG2 4.03Å; V401-V450 HydrophobicContact CG1-CG2 4.35Å; V401-V450 HydrophobicContact CG2-CB 3.75Å; V401-V450 HydrophobicContact CG2-CG1 3.99Å; V401-V450 HydrophobicContact CG2-CG2 3.85Å; V402-V450 CarbonylContact O-C 3.51Å; V402-V450 WeakPolarHBondContact O-CA 3.49Å; F417-V450 HydrophobicContact CE2-CG1 4.48Å; F417-V450 HydrophobicContact CZ-CG1 4.29Å; I423-V450 HydrophobicContact CD1-CG1 4.09Å; Y434-V450 HydrophobicContact CD2-CG2 4.2Å; Y434-V450 HydrophobicContact CE2-CG2 4.32Å; F445-V450 HydrophobicContact CD2-CG1 3.96Å; F445-V450 HydrophobicContact CE2-CB 4.31Å; F445-V450 HydrophobicContact CE2-CG1 3.54Å; F445-V450 HydrophobicContact CE2-CG2 3.78Å; G447-V450 VanDerWaalsContact O-CG2 3.28Å; G447-V450 WeakPolarHBondContact O-CG2 3.27Å; G447-V450 PolarHBondContact O-N 2.93Å
451E93.1Very high79.6Confident106 Ų10688.6 Ų88.650%0.49545%0.454SS..EExtended strand (participates in β ladder)trans-130.4143.7175.9-172.7171-162.200110.4V401 V402 I404V401-E451 CarbonylContact C-O 3.59Å; V401-E451 WeakPolarHBondContact CA-O 3.36Å; V401-E451 WeakPolarHBondContact CB-O 3.48Å; V402-E451 HydrophobicContact CG1-CB 4.36Å; V402-E451 PolarHBondContact N-O 2.92Å; V402-E451 PolarHBondContact O-N 2.68Å; I404-E451 HydrophobicContact CG2-CB 3.93Å
452S90.1Very high79Confident59 Ų5988.6 Ų88.641%0.41345%0.449SS..EExtended strand (participates in β ladder)trans-69.8136.6-178.8-53.10000112M454S452-M454 VanDerWaalsContact C-N 3.26Å; S452-M454 PolarHBondContact O-N 3.29Å
453I85.1Confident78.1Confident53 Ų5389.3 Ų89.327%0.27245%0.447SS..  trans-86.714.3-176.5-49.9-177.3000112.7K400 V402 I422 H455K400-I453 HydrophobicContact CD-CD1 4.2Å; K400-I453 HydrophobicContact CG-CD1 3.89Å; K400-I453 PolarHBondContact O-N 3.12Å; V402-I453 HydrophobicContact CB-CD1 3.77Å; V402-I453 HydrophobicContact CB-CG1 3.9Å; V402-I453 HydrophobicContact CG1-CD1 4.48Å; V402-I453 HydrophobicContact CG1-CG1 4.09Å; I422-I453 HydrophobicContact CD1-CD1 3.24Å; I422-I453 HydrophobicContact CG2-CD1 4.37Å; I453-H455 PolarHBondContact O-N 3.18Å
454M66.5Low77Confident173 Ų17394.9 Ų94.985%0.85247%0.473SS*.  trans-62.4113.5175.8-68.2-67.9-100.500109S452S452-M454 VanDerWaalsContact C-N 3.26Å; S452-M454 PolarHBondContact O-N 3.29Å
455H48.8Very low75.7Confident173 Ų17398.9 Ų98.980%0.80149%0.492SS*.  trans-52.5131.3-161.7-102.352000115.2I453 S457I453-H455 PolarHBondContact O-N 3.18Å; H455-S457 PolarHBondContact O-N 3.17Å
456Y39.9Very low74.1Confident215 Ų215106.5 Ų106.584%0.84353%0.53SS*.  trans-61.2108.7147.1-78-93.4000108.4
457S34.4Very low72.2Confident116 Ų116114.3 Ų114.381%0.81157%0.567SS**  trans-82.6114.8161.946.30000108.6H455H455-S457 PolarHBondContact O-N 3.17Å
458E29.1Very low70.2Confident264 Ų264123.7 Ų123.7100%1.23461%0.61SS**  trans-67.10172.2-163.2174.3-16600112.7

Retrieved 458 of 458 residues in 161.1 ms (Link to these results)