A0A087XZ48_POEFO Loading...

Histone deacetylase 10

AlphaFold DB , UniProt , Accession A0A087XZ48, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 672 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
1M73.1Confident95.8Very high167 Ų16743.5 Ų43.582%0.82322%0.224SC*.  0134.30-73.8173.8174.700107.6R123M1-R123 HydrophobicContact CB-CB 4.1Å
2G93.2Very high96.1Very high29 Ų2941.7 Ų41.730%0.29922%0.216SC..EExtended strand (participates in β ladder)trans-90.8-175.4-17600000113.6V122 R123G2-V122 WeakPolarHBondContact O-CA 3.27Å; G2-V122 VanDerWaalsContact O-CB 3.32Å; G2-V122 WeakPolarHBondContact O-CB 3.37Å; G2-R123 PolarHBondContact O-N 3.46Å
3T98.8Very high96.3Very high5 Ų546.9 Ų46.93%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-108.6127174.7-63.10000108.6C47 V48 N124 L321T3-C47 CarbonylContact O-C 3.57Å; T3-C47 WeakPolarHBondContact O-CA 3.21Å; T3-V48 PolarHBondContact O-N 2.89Å; T3-N124 CarbonylContact C-O 3.51Å; T3-N124 WeakPolarHBondContact CA-O 3.36Å; T3-N124 WeakPolarHBondContact CB-OD1 3.34Å; T3-N124 WeakPolarHBondContact CG2-OD1 3.49Å; T3-N124 PolarHBondContact OG1-OD1 3.47Å; T3-L321 HydrophobicContact CG2-CB 3.62Å; T3-L321 HydrophobicContact CG2-CD1 4.25Å; T3-L321 VanDerWaalsContact OG1-C 3.3Å; T3-L321 PolarHBondContact OG1-O 2.93Å; T3-L321 VanDerWaalsContact OG1-O 3.04Å
4A98.9Very high96.4Very high1 Ų143.8 Ų43.81%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-76.9141.6174.900000111.5V48 V50 L113 V122 N124 G125 M126A4-V48 WeakPolarHBondContact CA-O 3.49Å; A4-V50 HydrophobicContact CB-CG2 3.95Å; A4-L113 HydrophobicContact CB-CD1 3.86Å; A4-V122 HydrophobicContact CB-CB 4.33Å; A4-V122 HydrophobicContact CB-CG1 4.08Å; A4-V122 HydrophobicContact CB-CG2 3.81Å; A4-N124 PolarHBondContact N-O 3.04Å; A4-G125 CarbonylContact O-C 3.46Å; A4-G125 WeakPolarHBondContact O-CA 3.36Å; A4-M126 PolarHBondContact O-N 3.47Å
5L98.9Very high96.6Very high10 Ų1049.1 Ų49.15%0.05224%0.241CC..EExtended strand (participates in β ladder)trans-126123.5167.1-178.864.9000108.5Y35 L38 C47 V48 S49 V50 M126 L128L5-Y35 HydrophobicContact CD2-CE2 4.27Å; L5-L38 HydrophobicContact CD1-CD1 3.88Å; L5-L38 HydrophobicContact CD2-CD1 3.98Å; L5-C47 HydrophobicContact CB-CB 3.56Å; L5-C47 HydrophobicContact CD2-CB 4.36Å; L5-V48 PolarHBondContact N-O 2.97Å; L5-S49 WeakPolarHBondContact O-CA 3.44Å; L5-V50 PolarHBondContact O-N 2.92Å; L5-V50 VanDerWaalsContact O-N 3.08Å; L5-M126 WeakPolarHBondContact CA-O 3.33Å; L5-L128 HydrophobicContact CD1-CD1 4.27Å; L5-L128 HydrophobicContact CD1-CG 4.25Å
6I98.9Very high96.6Very high0 Ų048.1 Ų48.10%024%0.237CC..EExtended strand (participates in β ladder)trans-115.6126.9176.1-55174.3000108.2V50 P52 S109 Q112 L113 M126 A127 L128I6-V50 HydrophobicContact CD1-CB 4.21Å; I6-V50 HydrophobicContact CD1-CG1 3.97Å; I6-V50 HydrophobicContact CG1-CB 3.74Å; I6-V50 HydrophobicContact CG1-CG1 4.02Å; I6-V50 WeakPolarHBondContact CG1-O 3.42Å; I6-P52 HydrophobicContact CG2-CB 4.25Å; I6-S109 WeakPolarHBondContact CD1-O 3.28Å; I6-S109 WeakPolarHBondContact CG2-OG 3.47Å; I6-Q112 HydrophobicContact CD1-CB 3.76Å; I6-L113 HydrophobicContact CD1-CB 3.77Å; I6-M126 PolarHBondContact N-O 3.46Å; I6-A127 HydrophobicContact CB-CB 4.23Å; I6-L128 PolarHBondContact O-N 2.89Å
7Y98.6Very high96.7Very high47 Ų4749.3 Ų49.318%0.18424%0.244CC..  trans-155.7145.3178.6167.3-98.8000108.1L31 Y35 L128Y7-L31 HydrophobicContact CE2-CB 4.29Å; Y7-Y35 AromaticContact CD1-CD1 3.77Å; Y7-Y35 HydrophobicContact CD1-CD1 3.77Å; Y7-Y35 AromaticContact CD1-CD2 3.52Å; Y7-Y35 HydrophobicContact CD1-CD2 3.52Å; Y7-Y35 AromaticContact CD1-CE1 3.82Å; Y7-Y35 HydrophobicContact CD1-CE1 3.82Å; Y7-Y35 AromaticContact CD1-CE2 3.58Å; Y7-Y35 HydrophobicContact CD1-CE2 3.58Å; Y7-Y35 AromaticContact CD1-CG 3.61Å; Y7-Y35 HydrophobicContact CD1-CG 3.61Å; Y7-Y35 AromaticContact CD1-CZ 3.73Å; Y7-Y35 AromaticContact CD2-CD2 3.99Å; Y7-Y35 HydrophobicContact CD2-CD2 3.99Å; Y7-Y35 AromaticContact CD2-CG 3.95Å; Y7-Y35 HydrophobicContact CD2-CG 3.95Å; Y7-Y35 AromaticContact CE1-CD1 3.48Å; Y7-Y35 HydrophobicContact CE1-CD1 3.48Å; Y7-Y35 VanDerWaalsContact CE1-CD1 3.48Å; Y7-Y35 HydrophobicContact CE1-CD2 4.08Å; Y7-Y35 AromaticContact CE1-CE1 3.73Å; Y7-Y35 HydrophobicContact CE1-CE1 3.73Å; Y7-Y35 HydrophobicContact CE1-CE2 4.3Å; Y7-Y35 AromaticContact CE1-CG 3.67Å; Y7-Y35 HydrophobicContact CE1-CG 3.67Å; Y7-Y35 HydrophobicContact CE2-CD1 4.47Å; Y7-Y35 HydrophobicContact CE2-CD2 4.48Å; Y7-Y35 AromaticContact CE2-CG 3.99Å; Y7-Y35 HydrophobicContact CE2-CG 3.99Å; Y7-Y35 HydrophobicContact CG-CD1 4.38Å; Y7-Y35 AromaticContact CG-CD2 3.45Å; Y7-Y35 HydrophobicContact CG-CD2 3.45Å; Y7-Y35 VanDerWaalsContact CG-CD2 3.45Å; Y7-Y35 AromaticContact CG-CE2 3.85Å; Y7-Y35 HydrophobicContact CG-CE2 3.85Å; Y7-Y35 AromaticContact CG-CG 3.75Å; Y7-Y35 HydrophobicContact CG-CG 3.75Å; Y7-Y35 AromaticContact CZ-CD1 3.87Å; Y7-Y35 AromaticContact CZ-CG 3.85Å; Y7-L128 HydrophobicContact CD2-CB 4.18Å; Y7-L128 HydrophobicContact CD2-CD1 4.48Å
8D98.4Very high96.6Very high56 Ų5649.2 Ų49.230%0.29924%0.241SC..  trans-149.4131.7170.3-163.3-60000109.9E10 M11 P52D8-E10 PolarHBondContact O-N 3.15Å; D8-E10 WeakPolarHBondContact OD1-CB 3.32Å; D8-E10 PolarHBondContact OD1-N 2.75Å; D8-M11 HydrophobicContact CB-CE 4.05Å; D8-M11 PolarHBondContact O-N 3.14Å; D8-M11 VanDerWaalsContact O-N 3.16Å; D8-P52 HydrophobicContact CB-CB 4.47Å; D8-P52 HydrophobicContact CB-CG 3.72Å; D8-P52 WeakPolarHBondContact OD2-CG 3.42Å
9E98.2Very high96.6Very high126 Ų12654.1 Ų54.159%0.58927%0.273SS*.G310 helixtrans-62.6-22.8-179.6-170.1-176.5-179.500111.9M11 T12E9-M11 PolarHBondContact O-N 3.19Å; E9-T12 VanDerWaalsContact O-CB 3.3Å; E9-T12 WeakPolarHBondContact O-CB 3.25Å; E9-T12 WeakPolarHBondContact O-CG2 3.32Å; E9-T12 PolarHBondContact O-N 2.79Å; E9-T12 PolarHBondContact O-OG1 3.21Å
10E98.6Very high96.5Very high38 Ų3853.4 Ų53.418%0.17827%0.27CS..G310 helixtrans-57.2-32.6175-170.358.9-140.200112.3D8 T12 K13 N98 H101 C102 L105D8-E10 PolarHBondContact O-N 3.15Å; D8-E10 WeakPolarHBondContact OD1-CB 3.32Å; D8-E10 PolarHBondContact OD1-N 2.75Å; E10-T12 PolarHBondContact O-N 3.35Å; E10-T12 VanDerWaalsContact O-N 3.12Å; E10-K13 WeakPolarHBondContact O-CB 3.11Å; E10-K13 PolarHBondContact O-N 3.25Å; E10-K13 WeakPolarHBondContact OE2-CD 3.49Å; E10-K13 WeakPolarHBondContact OE2-CE 3.34Å; E10-K13 IonicContact OE2-NZ 3.19Å; E10-K13 PolarHBondContact OE2-NZ 3.37Å; E10-N98 PolarHBondContact OE1-ND2 3.13Å; E10-H101 WeakPolarHBondContact CG-NE2 3.12Å; E10-H101 IonicContact OE1-CD2 2.94Å; E10-C102 PolarHBondContact O-SG 2.83Å; E10-L105 HydrophobicContact CB-CD1 3.86Å; E10-L105 HydrophobicContact CG-CD1 3.68Å
11M98.8Very high96.3Very high0 Ų055.3 Ų55.30%029%0.286CS..G310 helixtrans-70-3.3175.4-68.9-177.4-72.500113.6D8 E9 Y14 L31 L105 A106 L128 V129 R130D8-M11 HydrophobicContact CB-CE 4.05Å; D8-M11 PolarHBondContact O-N 3.14Å; D8-M11 VanDerWaalsContact O-N 3.16Å; E9-M11 PolarHBondContact O-N 3.19Å; M11-Y14 WeakPolarHBondContact O-CE1 3.2Å; M11-L31 HydrophobicContact CB-CD1 3.61Å; M11-L105 HydrophobicContact CG-CB 4Å; M11-L105 HydrophobicContact CG-CD1 4.42Å; M11-L105 HydrophobicContact SD-CB 4.12Å; M11-A106 HydrophobicContact SD-CB 4.2Å; M11-L128 WeakPolarHBondContact CE-O 3.29Å; M11-V129 HydrophobicContact CE-CG1 4.23Å; M11-V129 HydrophobicContact SD-CB 3.94Å; M11-V129 HydrophobicContact SD-CG1 4.03Å; M11-R130 WeakPolarHBondContact CB-O 3.27Å; M11-R130 WeakPolarHBondContact CG-O 3.45Å; M11-R130 PolarHBondContact O-NH1 3.17Å
12T98.7Very high97.2Very high21 Ų2149.4 Ų49.413%0.12926%0.264CS..G310 helixtrans-90.4-13168.874.90000112.5E9 E10 Y14 P28 L31E9-T12 VanDerWaalsContact O-CB 3.3Å; E9-T12 WeakPolarHBondContact O-CB 3.25Å; E9-T12 WeakPolarHBondContact O-CG2 3.32Å; E9-T12 PolarHBondContact O-N 2.79Å; E9-T12 PolarHBondContact O-OG1 3.21Å; E10-T12 PolarHBondContact O-N 3.35Å; E10-T12 VanDerWaalsContact O-N 3.12Å; T12-Y14 PolarHBondContact O-N 3.27Å; T12-P28 WeakPolarHBondContact O-CB 3.2Å; T12-P28 WeakPolarHBondContact O-CG 3.36Å; T12-L31 HydrophobicContact CG2-CB 4.08Å; T12-L31 HydrophobicContact CG2-CD1 4.44Å
13K98.6Very high97.3Very high110 Ų11048 Ų4848%0.47825%0.25SS..SBendtrans-87.939.1-170.9-58.9-170.1-164.8156.50113.9E10 N98E10-K13 WeakPolarHBondContact O-CB 3.11Å; E10-K13 PolarHBondContact O-N 3.25Å; E10-K13 WeakPolarHBondContact OE2-CD 3.49Å; E10-K13 WeakPolarHBondContact OE2-CE 3.34Å; E10-K13 IonicContact OE2-NZ 3.19Å; E10-K13 PolarHBondContact OE2-NZ 3.37Å; K13-N98 WeakPolarHBondContact CB-ND2 3.45Å; K13-N98 WeakPolarHBondContact O-CB 3.28Å; K13-N98 PolarHBondContact O-ND2 3.13Å
14Y98.6Very high97.1Very high3 Ų354.3 Ų54.31%0.01228%0.277CS..  trans-148.6142.5166.982.5-84.4000109.3M11 T12 E26 P28 Y94 H96 I99 C102 R130 P131M11-Y14 WeakPolarHBondContact O-CE1 3.2Å; T12-Y14 PolarHBondContact O-N 3.27Å; Y14-E26 PolarHBondContact OH-OE2 3.01Å; Y14-P28 WeakPolarHBondContact O-CG 3.22Å; Y14-Y94 AromaticContact CD2-CE2 3.81Å; Y14-Y94 HydrophobicContact CD2-CE2 3.81Å; Y14-Y94 AromaticContact CE2-CE2 3.9Å; Y14-Y94 HydrophobicContact CE2-CE2 3.9Å; Y14-Y94 AromaticContact CE2-CZ 3.79Å; Y14-Y94 VanDerWaalsContact CE2-OH 3.26Å; Y14-Y94 WeakPolarHBondContact CE2-OH 3.42Å; Y14-H96 WeakPolarHBondContact CB-ND1 3.25Å; Y14-I99 HydrophobicContact CD2-CB 4.2Å; Y14-I99 HydrophobicContact CD2-CD1 3.73Å; Y14-I99 HydrophobicContact CD2-CG1 3.66Å; Y14-I99 HydrophobicContact CE2-CD1 3.7Å; Y14-I99 HydrophobicContact CE2-CG1 3.88Å; Y14-I99 HydrophobicContact CG-CB 4.36Å; Y14-I99 HydrophobicContact CG-CG1 4.08Å; Y14-C102 HydrophobicContact CD1-CB 3.79Å; Y14-C102 HydrophobicContact CE1-CB 4.15Å; Y14-R130 HydrophobicContact CE1-CB 3.88Å; Y14-R130 VanDerWaalsContact CE1-NH1 3.34Å; Y14-R130 WeakPolarHBondContact OH-CB 3.28Å; Y14-R130 PolarHBondContact OH-NH2 3.13Å; Y14-P131 WeakPolarHBondContact OH-CA 3.28Å; Y14-P131 WeakPolarHBondContact OH-CB 3.32Å
15K98.2Very high97.1Very high124 Ų12455.6 Ų55.654%0.53928%0.284SS..  trans-154.9165.217965.6179.9-177.8179.60110.9P28 H96K15-P28 HydrophobicContact CB-CG 3.95Å; K15-H96 PolarHBondContact O-CD2 3.4Å
16L97.8Very high97.1Very high32 Ų3255.3 Ų55.317%0.16828%0.282CS..  trans-59.8133.3173.5-178.367.2000110.9W18 D20 C23 Y94L16-W18 HydrophobicContact CD1-CD2 4.17Å; L16-W18 HydrophobicContact CD1-CG 4.29Å; L16-W18 HydrophobicContact CD1-CZ2 4.27Å; L16-W18 VanDerWaalsContact CD2-O 3.24Å; L16-W18 WeakPolarHBondContact CD2-O 3.16Å; L16-W18 WeakPolarHBondContact CG-O 3.18Å; L16-D20 HydrophobicContact CD1-CB 4.12Å; L16-D20 HydrophobicContact CD2-CB 3.85Å; L16-C23 HydrophobicContact CD1-CB 4.24Å; L16-C23 HydrophobicContact CD2-CB 4.14Å; L16-Y94 HydrophobicContact CB-CD1 4.41Å; L16-Y94 HydrophobicContact CB-CD2 4.21Å; L16-Y94 HydrophobicContact CB-CE1 4.43Å; L16-Y94 HydrophobicContact CB-CE2 4.25Å; L16-Y94 HydrophobicContact CB-CG 4.28Å; L16-Y94 HydrophobicContact CD1-CD1 4.19Å; L16-Y94 HydrophobicContact CD1-CD2 4.24Å; L16-Y94 HydrophobicContact CD1-CG 3.76Å
17L97.6Very high97Very high69 Ų6957.2 Ų57.236%0.36129%0.294SS..  trans-107.94-175.1-61.8-178.9000114L80L17-L80 HydrophobicContact CB-CD1 3.74Å; L17-L80 HydrophobicContact CD1-CD1 3.81Å; L17-L80 HydrophobicContact CG-CD1 4.45Å
18W95.9Very high97.1Very high48 Ų4855.9 Ų55.918%0.18229%0.29CS..SBendtrans-145.1175.7179.451.886.2000110.5L16 D20 L80 L83 K84 T87 F95L16-W18 HydrophobicContact CD1-CD2 4.17Å; L16-W18 HydrophobicContact CD1-CG 4.29Å; L16-W18 HydrophobicContact CD1-CZ2 4.27Å; L16-W18 VanDerWaalsContact CD2-O 3.24Å; L16-W18 WeakPolarHBondContact CD2-O 3.16Å; L16-W18 WeakPolarHBondContact CG-O 3.18Å; W18-D20 PolarHBondContact O-N 3.29Å; W18-L80 HydrophobicContact CE3-CD1 3.79Å; W18-L80 HydrophobicContact CZ3-CD1 3.82Å; W18-L83 HydrophobicContact CZ3-CB 4.5Å; W18-K84 HydrophobicContact CD2-CD 4.31Å; W18-K84 HydrophobicContact CD2-CG 3.74Å; W18-K84 HydrophobicContact CE3-CD 4.19Å; W18-K84 VanDerWaalsContact CE3-CE 3.49Å; W18-K84 HydrophobicContact CE3-CG 3.56Å; W18-K84 HydrophobicContact CG-CG 4.44Å; W18-K84 HydrophobicContact CH2-CG 4Å; W18-K84 HydrophobicContact CZ2-CG 4.17Å; W18-K84 HydrophobicContact CZ3-CG 3.69Å; W18-T87 HydrophobicContact CZ2-CG2 4.08Å; W18-F95 WeakPolarHBondContact CH2-O 3.4Å
19V94.9Very high97.1Very high141 Ų14157.9 Ų57.986%0.85530%0.298SS*.  trans-80.3118.1174.8-179.70000108.4
20D94.8Very high97.1Very high40 Ų4051.9 Ų51.921%0.21427%0.27CS..  trans-144.5105.1173-173.5-40.7000107.2L16 W18 A22 C23 K24L16-D20 HydrophobicContact CD1-CB 4.12Å; L16-D20 HydrophobicContact CD2-CB 3.85Å; W18-D20 PolarHBondContact O-N 3.29Å; D20-A22 PolarHBondContact O-N 3.41Å; D20-A22 PolarHBondContact OD1-N 2.91Å; D20-C23 HydrophobicContact CB-CB 4.07Å; D20-C23 PolarHBondContact O-N 2.96Å; D20-C23 PolarHBondContact OD1-N 3.47Å; D20-C23 VanDerWaalsContact OD1-N 3.1Å; D20-K24 WeakPolarHBondContact O-CB 3.23Å; D20-K24 PolarHBondContact O-N 2.86Å
21P92.2Very high97.1Very high94 Ų9450 Ų5061%0.6126%0.261SS*.THydrogen-bonded Turntrans-60.7-30.2-176.7-26.736000114.4K24P21-K24 WeakPolarHBondContact O-CE 3.27Å; P21-K24 WeakPolarHBondContact O-CG 3.36Å
22A91.7Very high97.1Very high44 Ų4451.5 Ų51.536%0.36427%0.271SS..THydrogen-bonded Turntrans-75.3-40.1179.100000110.9D20D20-A22 PolarHBondContact O-N 3.41Å; D20-A22 PolarHBondContact OD1-N 2.91Å
23C95.2Very high97.1Very high0 Ų052.1 Ų52.10%028%0.275CS..G310 helixtrans-88.3-10.6-176.4-64.90000115.2L16 D20 I25 E26 Y94 F144L16-C23 HydrophobicContact CD1-CB 4.24Å; L16-C23 HydrophobicContact CD2-CB 4.14Å; D20-C23 HydrophobicContact CB-CB 4.07Å; D20-C23 PolarHBondContact O-N 2.96Å; D20-C23 PolarHBondContact OD1-N 3.47Å; D20-C23 VanDerWaalsContact OD1-N 3.1Å; C23-I25 PolarHBondContact O-N 2.77Å; C23-E26 PolarHBondContact O-N 3.44Å; C23-Y94 HydrophobicContact CB-CD1 3.8Å; C23-Y94 HydrophobicContact CB-CE1 4.47Å; C23-F144 HydrophobicContact CB-CE1 4.19Å
24K96.1Very high97.1Very high136 Ų13646.9 Ų46.959%0.59125%0.253SS*.G310 helixtrans-60.8-19.8-173.773.8-175.3173.7-179.50114.7D20 P21 V27D20-K24 WeakPolarHBondContact O-CB 3.23Å; D20-K24 PolarHBondContact O-N 2.86Å; P21-K24 WeakPolarHBondContact O-CE 3.27Å; P21-K24 WeakPolarHBondContact O-CG 3.36Å; K24-V27 VanDerWaalsContact O-CG1 3.23Å; K24-V27 WeakPolarHBondContact O-CG1 3.09Å
25I97.9Very high97.1Very high29 Ų2950.3 Ų50.315%0.14927%0.266CS..G310 helixtrans-82.3-22.4-175.358.2173.8000113.4C23 V27 F144 E272 Y305C23-I25 PolarHBondContact O-N 2.77Å; I25-V27 PolarHBondContact O-N 2.95Å; I25-V27 VanDerWaalsContact O-N 3.15Å; I25-F144 HydrophobicContact CD1-CE2 4.21Å; I25-F144 HydrophobicContact CD1-CZ 4.11Å; I25-F144 HydrophobicContact CG1-CE2 4.29Å; I25-F144 HydrophobicContact CG1-CZ 4.05Å; I25-E272 HydrophobicContact CD1-CG 3.35Å; I25-Y305 HydrophobicContact CB-CD1 4.13Å; I25-Y305 HydrophobicContact CB-CG 4.25Å; I25-Y305 HydrophobicContact CD1-CD1 4.04Å; I25-Y305 HydrophobicContact CD1-CD2 4.02Å; I25-Y305 HydrophobicContact CD1-CE1 4.29Å; I25-Y305 HydrophobicContact CD1-CE2 4.26Å; I25-Y305 HydrophobicContact CD1-CG 3.91Å; I25-Y305 HydrophobicContact CG1-CD1 4.02Å; I25-Y305 HydrophobicContact CG1-CE1 4.36Å; I25-Y305 HydrophobicContact CG1-CG 4.28Å
26E98.4Very high97.1Very high3 Ų350.3 Ų50.31%0.01427%0.268CS..  trans-86.588.8179.9-156.6-61.8115.600109.9Y14 C23 R30 Y94 R130 F144Y14-E26 PolarHBondContact OH-OE2 3.01Å; C23-E26 PolarHBondContact O-N 3.44Å; E26-R30 IonicContact OE1-CZ 2.69Å; E26-R30 IonicContact OE1-NH1 3.49Å; E26-R30 PolarHBondContact OE1-NH1 3.15Å; E26-Y94 HydrophobicContact CB-CE1 4.2Å; E26-Y94 PolarHBondContact O-OH 3.19Å; E26-Y94 PolarHBondContact OE2-OH 3.5Å; E26-R130 IonicContact OE1-CZ 3.75Å; E26-R130 IonicContact OE1-NE 3.94Å; E26-R130 PolarHBondContact OE1-NE 2.84Å; E26-R130 IonicContact OE1-NH2 2.75Å; E26-R130 PolarHBondContact OE1-NH2 3.21Å; E26-R130 IonicContact OE2-CZ 3.24Å; E26-R130 IonicContact OE2-NE 2.85Å; E26-R130 IonicContact OE2-NH2 2.83Å; E26-R130 PolarHBondContact OE2-NH2 2.75Å; E26-F144 HydrophobicContact CB-CB 4.33Å; E26-F144 HydrophobicContact CB-CD1 4.17Å; E26-F144 HydrophobicContact CB-CD2 3.95Å; E26-F144 HydrophobicContact CB-CE2 4.32Å; E26-F144 HydrophobicContact CB-CG 3.87Å; E26-F144 HydrophobicContact CG-CB 3.79Å; E26-F144 HydrophobicContact CG-CD2 3.88Å; E26-F144 HydrophobicContact CG-CG 3.81Å
27V98.8Very high97.2Very high41 Ų4149 Ų4925%0.24826%0.261CS..  trans-116.3152.6-169.6-59.60000113.7K24 I25 E29 R30 R130K24-V27 VanDerWaalsContact O-CG1 3.23Å; K24-V27 WeakPolarHBondContact O-CG1 3.09Å; I25-V27 PolarHBondContact O-N 2.95Å; I25-V27 VanDerWaalsContact O-N 3.15Å; V27-E29 WeakPolarHBondContact CB-OE2 3.35Å; V27-E29 HydrophobicContact CG2-CB 4.09Å; V27-E29 PolarHBondContact O-N 3.15Å; V27-R30 HydrophobicContact CG2-CG 3.96Å; V27-R30 WeakPolarHBondContact O-CB 3.43Å; V27-R30 VanDerWaalsContact O-CG 3.29Å; V27-R30 WeakPolarHBondContact O-CG 3.46Å; V27-R30 PolarHBondContact O-N 3.48Å; V27-R30 VanDerWaalsContact O-N 3.14Å; V27-R130 VanDerWaalsContact C-NH2 3.34Å; V27-R130 PolarHBondContact O-NE 2.8Å
28P98.8Very high97.2Very high18 Ų1845.7 Ų45.712%0.11724%0.244CC..THydrogen-bonded Turntrans-49.9-38174.7-30.537.4000115.1T12 Y14 K15 R30 L31 S32T12-P28 WeakPolarHBondContact O-CB 3.2Å; T12-P28 WeakPolarHBondContact O-CG 3.36Å; Y14-P28 WeakPolarHBondContact O-CG 3.22Å; K15-P28 HydrophobicContact CB-CG 3.95Å; P28-R30 PolarHBondContact O-N 3.26Å; P28-R30 VanDerWaalsContact O-N 3.1Å; P28-L31 PolarHBondContact O-N 3.27Å; P28-S32 PolarHBondContact O-N 2.92Å
29E98.8Very high97.3Very high98 Ų9846.7 Ų46.746%0.45826%0.255SS..Hα-helixtrans-58.5-26.4-176.6-69.474.3-170.300111.9V27 L31 S32 V33 L307V27-E29 WeakPolarHBondContact CB-OE2 3.35Å; V27-E29 HydrophobicContact CG2-CB 4.09Å; V27-E29 PolarHBondContact O-N 3.15Å; E29-L31 VanDerWaalsContact C-N 3.26Å; E29-L31 PolarHBondContact O-N 3.05Å; E29-S32 PolarHBondContact O-N 3.3Å; E29-V33 WeakPolarHBondContact O-CG1 3.4Å; E29-V33 WeakPolarHBondContact O-CG2 3.45Å; E29-V33 PolarHBondContact O-N 3.19Å; E29-L307 HydrophobicContact CB-CD1 4.03Å; E29-L307 HydrophobicContact CB-CD2 4.46Å
30R98.8Very high97.5Very high0 Ų049.7 Ų49.70%025%0.251CS..Hα-helixtrans-53-43.4174.3-65.4174.764.8-117.1-11.3112.2E26 V27 P28 S34 E302 G303 G304 L307 L310E26-R30 IonicContact OE1-CZ 2.69Å; E26-R30 IonicContact OE1-NH1 3.49Å; E26-R30 PolarHBondContact OE1-NH1 3.15Å; V27-R30 HydrophobicContact CG2-CG 3.96Å; V27-R30 WeakPolarHBondContact O-CB 3.43Å; V27-R30 VanDerWaalsContact O-CG 3.29Å; V27-R30 WeakPolarHBondContact O-CG 3.46Å; V27-R30 PolarHBondContact O-N 3.48Å; V27-R30 VanDerWaalsContact O-N 3.14Å; P28-R30 PolarHBondContact O-N 3.26Å; P28-R30 VanDerWaalsContact O-N 3.1Å; R30-S34 WeakPolarHBondContact O-CB 3.32Å; R30-S34 PolarHBondContact O-OG 3.1Å; R30-E302 PolarHBondContact NH2-O 2.95Å; R30-G303 PolarHBondContact NH2-O 2.87Å; R30-G303 VanDerWaalsContact NH2-O 3.12Å; R30-G304 PolarHBondContact NE-O 2.94Å; R30-G304 PolarHBondContact NH2-O 2.85Å; R30-L307 HydrophobicContact CB-CD2 4.48Å; R30-L307 HydrophobicContact CG-CD2 3.95Å; R30-L310 HydrophobicContact CB-CD2 3.81Å; R30-L310 HydrophobicContact CG-CD2 4.23Å; R30-L310 WeakPolarHBondContact O-CD2 3.45Å
31L98.6Very high97.5Very high0 Ų051.3 Ų51.30%026%0.263CS..Hα-helixtrans-75-46.3176.1-88.4-179.5000112.3Y7 M11 T12 P28 E29 V33 S34 Y35 L128 R130 L301Y7-L31 HydrophobicContact CE2-CB 4.29Å; M11-L31 HydrophobicContact CB-CD1 3.61Å; T12-L31 HydrophobicContact CG2-CB 4.08Å; T12-L31 HydrophobicContact CG2-CD1 4.44Å; P28-L31 PolarHBondContact O-N 3.27Å; E29-L31 VanDerWaalsContact C-N 3.26Å; E29-L31 PolarHBondContact O-N 3.05Å; L31-V33 PolarHBondContact O-N 3.29Å; L31-S34 PolarHBondContact O-N 3.07Å; L31-Y35 PolarHBondContact O-N 3.29Å; L31-L128 HydrophobicContact CD2-CB 3.68Å; L31-R130 HydrophobicContact CD1-CB 3.56Å; L31-R130 HydrophobicContact CD1-CG 3.64Å; L31-R130 HydrophobicContact CD2-CG 4.38Å; L31-R130 HydrophobicContact CG-CB 4.12Å; L31-R130 VanDerWaalsContact CG-CD 3.4Å; L31-R130 HydrophobicContact CG-CG 3.59Å; L31-L301 HydrophobicContact CD2-CD2 3.77Å
32S98.4Very high97.8Very high30 Ų3048 Ų4821%0.2125%0.246CC..Hα-helixtrans-60.5-48.7-176.3-54.80000111.4P28 E29 S34 Y35 E36P28-S32 PolarHBondContact O-N 2.92Å; E29-S32 PolarHBondContact O-N 3.3Å; S32-S34 VanDerWaalsContact C-N 3.3Å; S32-S34 PolarHBondContact O-N 2.93Å; S32-Y35 PolarHBondContact O-N 2.86Å; S32-E36 VanDerWaalsContact O-CB 3.25Å; S32-E36 WeakPolarHBondContact O-CB 3.23Å; S32-E36 WeakPolarHBondContact O-CG 3.4Å; S32-E36 PolarHBondContact O-N 3.45Å
33V98.8Very high98.1Very high35 Ų3546 Ų4621%0.21223%0.229CC..Hα-helixtrans-64.5-35.6179.8-58.40000112.3E29 L31 A37 L307 L310 A311E29-V33 WeakPolarHBondContact O-CG1 3.4Å; E29-V33 WeakPolarHBondContact O-CG2 3.45Å; E29-V33 PolarHBondContact O-N 3.19Å; L31-V33 PolarHBondContact O-N 3.29Å; V33-A37 VanDerWaalsContact O-CB 3.24Å; V33-A37 WeakPolarHBondContact O-CB 3.49Å; V33-A37 PolarHBondContact O-N 2.93Å; V33-L307 HydrophobicContact CG1-CB 4.47Å; V33-L307 HydrophobicContact CG1-CD1 4.27Å; V33-L307 HydrophobicContact CG2-CB 4.08Å; V33-L307 HydrophobicContact CG2-CD2 4.05Å; V33-L310 HydrophobicContact CG2-CD2 4.44Å; V33-A311 HydrophobicContact CG2-CB 4.47Å
34S98.8Very high98.2Very high0 Ų046.7 Ų46.70%023%0.234CC..Hα-helixtrans-65.4-49.2177.6-63.70000111R30 L31 S32 A37 L38 L310R30-S34 WeakPolarHBondContact O-CB 3.32Å; R30-S34 PolarHBondContact O-OG 3.1Å; L31-S34 PolarHBondContact O-N 3.07Å; S32-S34 VanDerWaalsContact C-N 3.3Å; S32-S34 PolarHBondContact O-N 2.93Å; S34-A37 PolarHBondContact O-N 3.47Å; S34-L38 WeakPolarHBondContact O-CG 3.33Å; S34-L38 PolarHBondContact O-N 3.43Å; S34-L310 WeakPolarHBondContact OG-CG 3.28Å
35Y98.8Very high98.3Very high75 Ų7546.9 Ų46.929%0.29424%0.241SC..Hα-helixtrans-68.3-43.4179.4-174.9-106.5000112.1L5 Y7 L31 S32 A37 L38 V39 L128L5-Y35 HydrophobicContact CD2-CE2 4.27Å; Y7-Y35 AromaticContact CD1-CD1 3.77Å; Y7-Y35 HydrophobicContact CD1-CD1 3.77Å; Y7-Y35 AromaticContact CD1-CD2 3.52Å; Y7-Y35 HydrophobicContact CD1-CD2 3.52Å; Y7-Y35 AromaticContact CD1-CE1 3.82Å; Y7-Y35 HydrophobicContact CD1-CE1 3.82Å; Y7-Y35 AromaticContact CD1-CE2 3.58Å; Y7-Y35 HydrophobicContact CD1-CE2 3.58Å; Y7-Y35 AromaticContact CD1-CG 3.61Å; Y7-Y35 HydrophobicContact CD1-CG 3.61Å; Y7-Y35 AromaticContact CD1-CZ 3.73Å; Y7-Y35 AromaticContact CD2-CD2 3.99Å; Y7-Y35 HydrophobicContact CD2-CD2 3.99Å; Y7-Y35 AromaticContact CD2-CG 3.95Å; Y7-Y35 HydrophobicContact CD2-CG 3.95Å; Y7-Y35 AromaticContact CE1-CD1 3.48Å; Y7-Y35 HydrophobicContact CE1-CD1 3.48Å; Y7-Y35 VanDerWaalsContact CE1-CD1 3.48Å; Y7-Y35 HydrophobicContact CE1-CD2 4.08Å; Y7-Y35 AromaticContact CE1-CE1 3.73Å; Y7-Y35 HydrophobicContact CE1-CE1 3.73Å; Y7-Y35 HydrophobicContact CE1-CE2 4.3Å; Y7-Y35 AromaticContact CE1-CG 3.67Å; Y7-Y35 HydrophobicContact CE1-CG 3.67Å; Y7-Y35 HydrophobicContact CE2-CD1 4.47Å; Y7-Y35 HydrophobicContact CE2-CD2 4.48Å; Y7-Y35 AromaticContact CE2-CG 3.99Å; Y7-Y35 HydrophobicContact CE2-CG 3.99Å; Y7-Y35 HydrophobicContact CG-CD1 4.38Å; Y7-Y35 AromaticContact CG-CD2 3.45Å; Y7-Y35 HydrophobicContact CG-CD2 3.45Å; Y7-Y35 VanDerWaalsContact CG-CD2 3.45Å; Y7-Y35 AromaticContact CG-CE2 3.85Å; Y7-Y35 HydrophobicContact CG-CE2 3.85Å; Y7-Y35 AromaticContact CG-CG 3.75Å; Y7-Y35 HydrophobicContact CG-CG 3.75Å; Y7-Y35 AromaticContact CZ-CD1 3.87Å; Y7-Y35 AromaticContact CZ-CG 3.85Å; L31-Y35 PolarHBondContact O-N 3.29Å; S32-Y35 PolarHBondContact O-N 2.86Å; Y35-A37 VanDerWaalsContact C-N 3.29Å; Y35-A37 PolarHBondContact O-N 2.9Å; Y35-L38 WeakPolarHBondContact O-CB 2.95Å; Y35-L38 PolarHBondContact O-N 3.05Å; Y35-L38 VanDerWaalsContact O-N 3.13Å; Y35-V39 HydrophobicContact CD1-CG2 4.13Å; Y35-V39 HydrophobicContact CE1-CG2 3.76Å; Y35-V39 WeakPolarHBondContact O-CG2 3.44Å; Y35-V39 PolarHBondContact O-N 3.47Å; Y35-L128 HydrophobicContact CD2-CD1 4.31Å
36E98.8Very high98.3Very high124 Ų12450 Ų5058%0.57925%0.251SS*.Hα-helixtrans-59.9-38.1176.1-75.2172.4-169.900112.2S32 V39 R40S32-E36 VanDerWaalsContact O-CB 3.25Å; S32-E36 WeakPolarHBondContact O-CB 3.23Å; S32-E36 WeakPolarHBondContact O-CG 3.4Å; S32-E36 PolarHBondContact O-N 3.45Å; E36-V39 PolarHBondContact O-N 3.11Å; E36-R40 VanDerWaalsContact O-CB 3.27Å; E36-R40 WeakPolarHBondContact O-CB 3.37Å; E36-R40 PolarHBondContact O-N 3.36Å
37A98.7Very high98.3Very high4 Ų450.6 Ų50.63%0.03326%0.255CS..Hα-helixtrans-64.3-41.6174.700000112.1V33 S34 Y35 V39 R40 T41 A311V33-A37 VanDerWaalsContact O-CB 3.24Å; V33-A37 WeakPolarHBondContact O-CB 3.49Å; V33-A37 PolarHBondContact O-N 2.93Å; S34-A37 PolarHBondContact O-N 3.47Å; Y35-A37 VanDerWaalsContact C-N 3.29Å; Y35-A37 PolarHBondContact O-N 2.9Å; A37-V39 VanDerWaalsContact C-N 3.33Å; A37-V39 PolarHBondContact O-N 3.02Å; A37-R40 PolarHBondContact O-N 3.27Å; A37-T41 WeakPolarHBondContact O-CB 3.5Å; A37-T41 WeakPolarHBondContact O-CG2 3.24Å; A37-T41 PolarHBondContact O-N 3.1Å; A37-T41 PolarHBondContact O-OG1 3.03Å; A37-A311 HydrophobicContact CB-CB 3.81Å
38L98.7Very high98.3Very high0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-63.5-38.1174.4-67176.9000112.3L5 S34 Y35 T41 G42 L43 S44 L128 V314 V318L5-L38 HydrophobicContact CD1-CD1 3.88Å; L5-L38 HydrophobicContact CD2-CD1 3.98Å; S34-L38 WeakPolarHBondContact O-CG 3.33Å; S34-L38 PolarHBondContact O-N 3.43Å; Y35-L38 WeakPolarHBondContact O-CB 2.95Å; Y35-L38 PolarHBondContact O-N 3.05Å; Y35-L38 VanDerWaalsContact O-N 3.13Å; L38-T41 PolarHBondContact O-OG1 2.81Å; L38-G42 PolarHBondContact O-N 3.14Å; L38-L43 HydrophobicContact CB-CB 4.45Å; L38-L43 HydrophobicContact CD2-CB 3.91Å; L38-L43 HydrophobicContact CD2-CD1 3.79Å; L38-L43 PolarHBondContact O-N 2.63Å; L38-S44 PolarHBondContact O-N 3.04Å; L38-L128 HydrophobicContact CD1-CD1 3.78Å; L38-V314 HydrophobicContact CD1-CG1 3.97Å; L38-V314 HydrophobicContact CD2-CG1 4.11Å; L38-V314 HydrophobicContact CG-CG1 4.06Å; L38-V318 HydrophobicContact CD1-CG2 4.17Å; L38-V318 HydrophobicContact CD2-CB 3.81Å; L38-V318 HydrophobicContact CD2-CG1 4.02Å; L38-V318 HydrophobicContact CD2-CG2 3.85Å
39V98.6Very high98.3Very high68 Ų6856 Ų5641%0.41229%0.293SS..Hα-helixtrans-67.3-50175.4172.80000110.7Y35 E36 A37 T41 G42 S44Y35-V39 HydrophobicContact CD1-CG2 4.13Å; Y35-V39 HydrophobicContact CE1-CG2 3.76Å; Y35-V39 WeakPolarHBondContact O-CG2 3.44Å; Y35-V39 PolarHBondContact O-N 3.47Å; E36-V39 PolarHBondContact O-N 3.11Å; A37-V39 VanDerWaalsContact C-N 3.33Å; A37-V39 PolarHBondContact O-N 3.02Å; V39-T41 PolarHBondContact O-N 2.83Å; V39-G42 PolarHBondContact O-N 3.21Å; V39-S44 WeakPolarHBondContact CA-OG 3.43Å
40R97.9Very high98.3Very high204 Ų20452 Ų5277%0.7728%0.275SS*.Hα-helixtrans-59-34.4-178.9-177.6178.666.4-1680.7112.7E36 A37E36-R40 VanDerWaalsContact O-CB 3.27Å; E36-R40 WeakPolarHBondContact O-CB 3.37Å; E36-R40 PolarHBondContact O-N 3.36Å; A37-R40 PolarHBondContact O-N 3.27Å
41T96Very high98.2Very high74 Ų7456.1 Ų56.145%0.45430%0.302SS..THydrogen-bonded Turntrans-88.9-0.2178.955.20000113.3A37 L38 V39 L43A37-T41 WeakPolarHBondContact O-CB 3.5Å; A37-T41 WeakPolarHBondContact O-CG2 3.24Å; A37-T41 PolarHBondContact O-N 3.1Å; A37-T41 PolarHBondContact O-OG1 3.03Å; L38-T41 PolarHBondContact O-OG1 2.81Å; V39-T41 PolarHBondContact O-N 2.83Å; T41-L43 PolarHBondContact O-N 2.87Å; T41-L43 WeakPolarHBondContact OG1-CD1 3.44Å; T41-L43 WeakPolarHBondContact OG1-CG 3.48Å
42G97.3Very high98.2Very high25 Ų2557.4 Ų57.426%0.25831%0.31SS..THydrogen-bonded Turntrans68.813.4-178.700000114.3L38 V39 R46L38-G42 PolarHBondContact O-N 3.14Å; V39-G42 PolarHBondContact O-N 3.21Å; G42-R46 WeakPolarHBondContact O-CD 3.49Å; G42-R46 WeakPolarHBondContact O-CG 3.36Å
43L98Very high98.2Very high3 Ų358.6 Ų58.62%0.01631%0.31CS..  trans-74.3-35.5179.6-66.6176.8000111.8L38 T41 D45 R46 C47 C315 V318 Q319 L322L38-L43 HydrophobicContact CB-CB 4.45Å; L38-L43 HydrophobicContact CD2-CB 3.91Å; L38-L43 HydrophobicContact CD2-CD1 3.79Å; L38-L43 PolarHBondContact O-N 2.63Å; T41-L43 PolarHBondContact O-N 2.87Å; T41-L43 WeakPolarHBondContact OG1-CD1 3.44Å; T41-L43 WeakPolarHBondContact OG1-CG 3.48Å; L43-D45 VanDerWaalsContact C-N 3.29Å; L43-D45 PolarHBondContact O-N 2.86Å; L43-R46 PolarHBondContact O-N 3.07Å; L43-C47 PolarHBondContact O-N 2.97Å; L43-C47 PolarHBondContact O-SG 3.44Å; L43-C315 HydrophobicContact CD1-CB 3.97Å; L43-V318 HydrophobicContact CB-CG1 4.27Å; L43-Q319 HydrophobicContact CD1-CB 4.13Å; L43-Q319 HydrophobicContact CD2-CB 4Å; L43-Q319 HydrophobicContact CD2-CG 4.11Å; L43-L322 HydrophobicContact CD2-CD1 3.91Å
44S98.1Very high98.2Very high14 Ų1460.5 Ų60.510%0.09832%0.316CS..G310 helixtrans-57.7-42.4176.757.80000112.1L38 V39 R46 C47L38-S44 PolarHBondContact O-N 3.04Å; V39-S44 WeakPolarHBondContact CA-OG 3.43Å; S44-R46 PolarHBondContact O-N 2.82Å; S44-C47 WeakPolarHBondContact O-CB 3.43Å; S44-C47 PolarHBondContact O-N 3.31Å
45D97.8Very high98.2Very high139 Ų13960.6 Ų60.674%0.74332%0.318SS*.G310 helixtrans-69.9-21.5-174.8-64-7000112.5L43L43-D45 VanDerWaalsContact C-N 3.29Å; L43-D45 PolarHBondContact O-N 2.86Å
46R97.9Very high98.2Very high94 Ų9462.2 Ų62.236%0.35533%0.33SS..G310 helixtrans-87.2-14.9176.5-63165.853.1-170.8-3.6112.3G42 L43 S44 L322 D324G42-R46 WeakPolarHBondContact O-CD 3.49Å; G42-R46 WeakPolarHBondContact O-CG 3.36Å; L43-R46 PolarHBondContact O-N 3.07Å; S44-R46 PolarHBondContact O-N 2.82Å; R46-L322 HydrophobicContact CB-CD1 4.02Å; R46-L322 HydrophobicContact CB-CD2 3.97Å; R46-L322 WeakPolarHBondContact O-CD2 3.49Å; R46-D324 IonicContact CZ-OD1 2.89Å; R46-D324 IonicContact CZ-OD2 3.32Å; R46-D324 VanDerWaalsContact CZ-OD2 3.24Å; R46-D324 IonicContact NH1-OD1 3.99Å; R46-D324 IonicContact NH1-OD2 3.57Å; R46-D324 PolarHBondContact NH1-OD2 3.15Å; R46-D324 IonicContact NH2-OD1 2.7Å; R46-D324 PolarHBondContact NH2-OD1 3.41Å; R46-D324 IonicContact NH2-OD2 3.52Å; R46-D324 PolarHBondContact NH2-OD2 3.06Å
47C98.7Very high98.2Very high16 Ų1659.2 Ų59.211%0.10832%0.319CS..SBendtrans-87.4155.6177.9-63.80000111.4T3 L5 L43 S44 S49T3-C47 CarbonylContact O-C 3.57Å; T3-C47 WeakPolarHBondContact O-CA 3.21Å; L5-C47 HydrophobicContact CB-CB 3.56Å; L5-C47 HydrophobicContact CD2-CB 4.36Å; L43-C47 PolarHBondContact O-N 2.97Å; L43-C47 PolarHBondContact O-SG 3.44Å; S44-C47 WeakPolarHBondContact O-CB 3.43Å; S44-C47 PolarHBondContact O-N 3.31Å; C47-S49 PolarHBondContact O-N 2.92Å
48V98.6Very high98.2Very high67 Ų6762.4 Ų62.441%0.40635%0.345SS..EExtended strand (participates in β ladder)trans-82.8107.5167.2-178.10000107.3T3 A4 L5 V50 V122T3-V48 PolarHBondContact O-N 2.89Å; A4-V48 WeakPolarHBondContact CA-O 3.49Å; L5-V48 PolarHBondContact N-O 2.97Å; V48-V50 HydrophobicContact CG1-CG2 4.32Å; V48-V50 PolarHBondContact O-N 3Å; V48-V122 HydrophobicContact CB-CG1 4.02Å; V48-V122 HydrophobicContact CG1-CG1 4.3Å; V48-V122 HydrophobicContact CG2-CG1 4.06Å
49S98.3Very high98.3Very high106 Ų10663.3 Ų63.374%0.74135%0.349SS*.EExtended strand (participates in β ladder)trans-65122.9173.1-178.30000109.8L5 C47L5-S49 WeakPolarHBondContact O-CA 3.44Å; C47-S49 PolarHBondContact O-N 2.92Å
50V98.6Very high98.3Very high15 Ų1560.1 Ų60.19%0.09133%0.329CS..  trans-116.1125.3175.8172.20000107.4A4 L5 I6 V48 Q112A4-V50 HydrophobicContact CB-CG2 3.95Å; L5-V50 PolarHBondContact O-N 2.92Å; L5-V50 VanDerWaalsContact O-N 3.08Å; I6-V50 HydrophobicContact CD1-CB 4.21Å; I6-V50 HydrophobicContact CD1-CG1 3.97Å; I6-V50 HydrophobicContact CG1-CB 3.74Å; I6-V50 HydrophobicContact CG1-CG1 4.02Å; I6-V50 WeakPolarHBondContact CG1-O 3.42Å; V48-V50 HydrophobicContact CG1-CG2 4.32Å; V48-V50 PolarHBondContact O-N 3Å; V50-Q112 HydrophobicContact CG1-CB 4.08Å
51P98.1Very high98.3Very high86 Ų8653.8 Ų53.856%0.55831%0.31SS*.  trans-68.7144.9-178.927.8-34.3000110.7Q112P51-Q112 PolarHBondContact O-NE2 3.13Å
52P98.1Very high98.4Very high26 Ų2652.6 Ų52.617%0.16930%0.301CS..  trans-66.8168.4170.337.7-43.9000110.3I6 D8 L105 S109I6-P52 HydrophobicContact CG2-CB 4.25Å; D8-P52 HydrophobicContact CB-CB 4.47Å; D8-P52 HydrophobicContact CB-CG 3.72Å; D8-P52 WeakPolarHBondContact OD2-CG 3.42Å; P52-L105 HydrophobicContact CB-CD2 4.4Å; P52-S109 VanDerWaalsContact CB-OG 3.32Å; P52-S109 WeakPolarHBondContact CB-OG 3.42Å
53R98.6Very high98.5Very high55 Ų5552 Ų5221%0.20829%0.293CS..  trans-142.2163.7162.767.4178.917981.3-10.8108.6E59 G108 L111 Q112 Y156R53-E59 IonicContact CZ-OE1 3.77Å; R53-E59 IonicContact CZ-OE2 3.25Å; R53-E59 IonicContact NH1-OE1 3.91Å; R53-E59 PolarHBondContact NH1-OE1 3.12Å; R53-E59 IonicContact NH1-OE2 3.63Å; R53-E59 PolarHBondContact NH1-OE2 3.47Å; R53-E59 IonicContact NH2-OE1 2.85Å; R53-E59 PolarHBondContact NH2-OE1 3.28Å; R53-E59 IonicContact NH2-OE2 3.18Å; R53-E59 PolarHBondContact NH2-OE2 3.24Å; R53-G108 CarbonylContact O-C 3.56Å; R53-G108 VanDerWaalsContact O-CA 3.25Å; R53-G108 WeakPolarHBondContact O-CA 3.16Å; R53-L111 VanDerWaalsContact NH2-CD1 3.32Å; R53-Q112 HydrophobicContact CB-CG 4.45Å; R53-Q112 HydrophobicContact CG-CG 3.73Å; R53-Y156 PolarHBondContact NH2-OH 3.16Å
54E98.9Very high98.5Very high75 Ų7552.1 Ų52.135%0.3529%0.293SS..PPolyproline II helixtrans-71.1138165.7-63.8-168.8155.400110.3H101 K104 L105E54-H101 IonicContact OE1-CE1 3.16Å; E54-H101 PolarHBondContact OE1-CE1 3.38Å; E54-H101 IonicContact OE1-CG 2.75Å; E54-H101 IonicContact OE1-ND1 2.76Å; E54-H101 PolarHBondContact OE1-ND1 3.04Å; E54-K104 HydrophobicContact CB-CB 3.99Å; E54-K104 HydrophobicContact CB-CD 4.4Å; E54-K104 HydrophobicContact CG-CB 4.17Å; E54-K104 WeakPolarHBondContact OE1-CE 3.13Å; E54-K104 IonicContact OE1-NZ 3.45Å; E54-K104 PolarHBondContact OE1-NZ 3.07Å; E54-K104 VanDerWaalsContact OE1-NZ 3.11Å; E54-K104 WeakPolarHBondContact OE2-CE 3.49Å; E54-K104 IonicContact OE2-NZ 3.47Å; E54-K104 PolarHBondContact OE2-NZ 3.47Å; E54-L105 HydrophobicContact CG-CD2 3.93Å; E54-L105 HydrophobicContact CG-CG 4.49Å
55A98.8Very high98.6Very high3 Ų351.5 Ų51.53%0.02529%0.289CS..PPolyproline II helixtrans-64.9135.7162.700000109.8E59 I60 K104 A107A55-E59 WeakPolarHBondContact CA-OE2 2.97Å; A55-I60 HydrophobicContact CB-CD1 4.24Å; A55-I60 HydrophobicContact CB-CG1 3.94Å; A55-K104 PolarHBondContact N-O 3.14Å; A55-A107 HydrophobicContact CB-CB 3.77Å
56L98.8Very high98.6Very high108 Ų10850.8 Ų50.857%0.56528%0.281SS*.PPolyproline II helixtrans-73.8152.9173.4-57.5177.5000109.7A58 E59 I60L56-A58 PolarHBondContact O-N 3.18Å; L56-E59 HydrophobicContact CB-CG 4.12Å; L56-E59 PolarHBondContact N-OE2 2.91Å; L56-E59 WeakPolarHBondContact O-CA 3.35Å; L56-E59 WeakPolarHBondContact O-CB 3.39Å; L56-E59 PolarHBondContact O-N 3.03Å; L56-I60 PolarHBondContact O-N 2.89Å
57D98.8Very high98.7Very high62 Ų6253 Ų5333%0.33230%0.295SS..Hα-helixtrans-53.2-43.7175.3-69.5-15.7000111.8E59 I60 L61 L69 K73D57-E59 PolarHBondContact O-N 3.25Å; D57-I60 PolarHBondContact O-N 3.48Å; D57-I60 VanDerWaalsContact O-N 3.14Å; D57-L61 WeakPolarHBondContact O-CB 3.39Å; D57-L61 WeakPolarHBondContact O-CG 3.35Å; D57-L61 PolarHBondContact O-N 2.93Å; D57-L69 HydrophobicContact CB-CD2 3.97Å; D57-K73 VanDerWaalsContact CG-NZ 3.26Å; D57-K73 VanDerWaalsContact OD1-CE 3.23Å; D57-K73 WeakPolarHBondContact OD1-CE 3.43Å; D57-K73 IonicContact OD1-NZ 3.55Å; D57-K73 PolarHBondContact OD1-NZ 2.99Å; D57-K73 WeakPolarHBondContact OD2-CE 3.43Å; D57-K73 IonicContact OD2-NZ 3.66Å; D57-K73 PolarHBondContact OD2-NZ 2.78Å
58A98.8Very high98.6Very high70 Ų7052.6 Ų52.658%0.57929%0.292SS*.Hα-helixtrans-60.9-28.2177.700000113.6L56L56-A58 PolarHBondContact O-N 3.18Å
59E98.9Very high98.7Very high20 Ų2049.5 Ų49.59%0.09327%0.273CS..Hα-helixtrans-79.5-39.3176.4-62.6169.7145.900110.8R53 A55 L56 D57 L61 L62 L111 Y156R53-E59 IonicContact CZ-OE1 3.77Å; R53-E59 IonicContact CZ-OE2 3.25Å; R53-E59 IonicContact NH1-OE1 3.91Å; R53-E59 PolarHBondContact NH1-OE1 3.12Å; R53-E59 IonicContact NH1-OE2 3.63Å; R53-E59 PolarHBondContact NH1-OE2 3.47Å; R53-E59 IonicContact NH2-OE1 2.85Å; R53-E59 PolarHBondContact NH2-OE1 3.28Å; R53-E59 IonicContact NH2-OE2 3.18Å; R53-E59 PolarHBondContact NH2-OE2 3.24Å; A55-E59 WeakPolarHBondContact CA-OE2 2.97Å; L56-E59 HydrophobicContact CB-CG 4.12Å; L56-E59 PolarHBondContact N-OE2 2.91Å; L56-E59 WeakPolarHBondContact O-CA 3.35Å; L56-E59 WeakPolarHBondContact O-CB 3.39Å; L56-E59 PolarHBondContact O-N 3.03Å; D57-E59 PolarHBondContact O-N 3.25Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L62 VanDerWaalsContact O-CB 3.3Å; E59-L62 WeakPolarHBondContact O-CB 3.45Å; E59-L62 WeakPolarHBondContact O-CG 3.49Å; E59-L62 PolarHBondContact O-N 2.92Å; E59-L111 HydrophobicContact CB-CD1 3.92Å; E59-L111 HydrophobicContact CG-CD1 4.02Å; E59-L111 WeakPolarHBondContact OE2-CD1 3.2Å; E59-Y156 HydrophobicContact CG-CD2 4.39Å; E59-Y156 HydrophobicContact CG-CE2 4.45Å; E59-Y156 VanDerWaalsContact OE1-CE2 3.28Å; E59-Y156 WeakPolarHBondContact OE1-CE2 3.27Å
60I98.9Very high98.7Very high0 Ų048 Ų480%025%0.254CS..Hα-helixtrans-64.3-40.7175.1-62.6165.8000110.4A55 L56 D57 L62 V63 H64 L69 K104 F147A55-I60 HydrophobicContact CB-CD1 4.24Å; A55-I60 HydrophobicContact CB-CG1 3.94Å; L56-I60 PolarHBondContact O-N 2.89Å; D57-I60 PolarHBondContact O-N 3.48Å; D57-I60 VanDerWaalsContact O-N 3.14Å; I60-L62 PolarHBondContact O-N 3.28Å; I60-L62 VanDerWaalsContact O-N 3.14Å; I60-V63 PolarHBondContact O-N 3.46Å; I60-V63 VanDerWaalsContact O-N 3.15Å; I60-H64 HydrophobicContact CG2-CB 3.99Å; I60-H64 PolarHBondContact O-CD2 3.39Å; I60-H64 PolarHBondContact O-N 3.19Å; I60-L69 HydrophobicContact CB-CD2 4.48Å; I60-L69 HydrophobicContact CD1-CD1 4.18Å; I60-L69 HydrophobicContact CG2-CD1 4.13Å; I60-L69 HydrophobicContact CG2-CD2 4.34Å; I60-K104 HydrophobicContact CD1-CG 4.14Å; I60-F147 HydrophobicContact CD1-CD2 4.26Å; I60-F147 HydrophobicContact CD1-CE2 3.9Å; I60-F147 HydrophobicContact CD1-CZ 4.31Å; I60-F147 HydrophobicContact CG2-CD1 3.85Å; I60-F147 HydrophobicContact CG2-CD2 4.49Å; I60-F147 HydrophobicContact CG2-CE1 3.8Å; I60-F147 HydrophobicContact CG2-CE2 4.44Å; I60-F147 HydrophobicContact CG2-CG 4.23Å; I60-F147 HydrophobicContact CG2-CZ 4.12Å
61L98.8Very high98.6Very high71 Ų7148 Ų4837%0.37226%0.257SS..THydrogen-bonded Turntrans-67.7-6.6178.6-68.7171.1000114.2D57 E59 V63 H64 E66 L69D57-L61 WeakPolarHBondContact O-CB 3.39Å; D57-L61 WeakPolarHBondContact O-CG 3.35Å; D57-L61 PolarHBondContact O-N 2.93Å; E59-L61 VanDerWaalsContact C-N 3.32Å; L61-V63 PolarHBondContact O-N 3.25Å; L61-H64 WeakPolarHBondContact CA-O 3.43Å; L61-E66 HydrophobicContact CD2-CB 4.03Å; L61-L69 HydrophobicContact CD1-CD2 4.5Å; L61-L69 HydrophobicContact CD2-CD2 4Å; L61-L69 HydrophobicContact CG-CD2 4Å
62L98.6Very high98.7Very high49 Ų4943.9 Ų43.926%0.25723%0.23SC..THydrogen-bonded Turntrans-65.4-23.9169.3-63.4176.7000112.6E59 I60 R155E59-L62 VanDerWaalsContact O-CB 3.3Å; E59-L62 WeakPolarHBondContact O-CB 3.45Å; E59-L62 WeakPolarHBondContact O-CG 3.49Å; E59-L62 PolarHBondContact O-N 2.92Å; I60-L62 PolarHBondContact O-N 3.28Å; I60-L62 VanDerWaalsContact O-N 3.14Å; L62-R155 HydrophobicContact CB-CB 3.93Å; L62-R155 HydrophobicContact CB-CG 4.44Å; L62-R155 HydrophobicContact CD1-CB 4.13Å
63V98.7Very high98.7Very high14 Ų1444.8 Ų44.89%0.08523%0.232CC..THydrogen-bonded Turntrans-125.2-39.5-176.8175.80000111.3I60 L61 R138 N148 A151 I152 R155I60-V63 PolarHBondContact O-N 3.46Å; I60-V63 VanDerWaalsContact O-N 3.15Å; L61-V63 PolarHBondContact O-N 3.25Å; V63-R138 WeakPolarHBondContact O-CG 3.46Å; V63-N148 HydrophobicContact CG1-CB 4.32Å; V63-A151 HydrophobicContact CG1-CB 4.15Å; V63-A151 HydrophobicContact CG2-CB 3.96Å; V63-I152 HydrophobicContact CB-CG1 3.97Å; V63-I152 HydrophobicContact CG2-CB 4.42Å; V63-I152 HydrophobicContact CG2-CG1 3.77Å; V63-R155 HydrophobicContact CG2-CG 4.01Å
64H98.9Very high98.7Very high4 Ų448.2 Ų48.22%0.01925%0.248CC..SBendtrans-96.7149.5-172.8-64.7-71.6000112.5I60 L61 Y68 S136 M137 R138 F147 N148I60-H64 HydrophobicContact CG2-CB 3.99Å; I60-H64 PolarHBondContact O-CD2 3.39Å; I60-H64 PolarHBondContact O-N 3.19Å; L61-H64 WeakPolarHBondContact CA-O 3.43Å; H64-Y68 HydrophobicContact CB-CD1 4.18Å; H64-Y68 AromaticContact ND1-CD1 3.71Å; H64-Y68 AromaticContact ND1-CE1 3.7Å; H64-S136 PolarHBondContact CE1-OG 2.92Å; H64-M137 PolarHBondContact CE1-O 2.91Å; H64-M137 PolarHBondContact ND1-O 3.44Å; H64-M137 VanDerWaalsContact ND1-O 3.16Å; H64-R138 CarbonylContact C-O 3.58Å; H64-R138 VanDerWaalsContact CA-O 3.28Å; H64-R138 WeakPolarHBondContact CA-O 3.44Å; H64-F147 AromaticContact CD2-CD1 3.85Å; H64-N148 PolarHBondContact NE2-N 3.4Å; H64-N148 VanDerWaalsContact NE2-N 3.11Å
65S98.8Very high98.6Very high2 Ų244.6 Ų44.61%0.01423%0.231CC..  trans-71.5149.3171.561.60000111.6E67 Y68 L69 R138 S139S65-E67 VanDerWaalsContact C-N 3.28Å; S65-E67 WeakPolarHBondContact CB-OE2 3.33Å; S65-E67 PolarHBondContact O-N 3.38Å; S65-Y68 PolarHBondContact O-N 3.37Å; S65-Y68 VanDerWaalsContact OG-CB 3.22Å; S65-Y68 WeakPolarHBondContact OG-CB 3.44Å; S65-Y68 PolarHBondContact OG-N 2.91Å; S65-L69 PolarHBondContact O-N 2.95Å; S65-L69 VanDerWaalsContact O-N 3.11Å; S65-R138 PolarHBondContact N-O 2.98Å; S65-R138 PolarHBondContact OG-O 3.49Å; S65-S139 VanDerWaalsContact CB-OG 3.25Å; S65-S139 WeakPolarHBondContact CB-OG 3.36Å; S65-S139 WeakPolarHBondContact OG-CB 3.34Å; S65-S139 PolarHBondContact OG-OG 2.92Å
66E98.7Very high98.6Very high124 Ų12446.6 Ų46.658%0.57924%0.244SC*.Hα-helixtrans-58.6-40.9175.1-173.1171-154.300111.7L61 Y68 L69 E70L61-E66 HydrophobicContact CD2-CB 4.03Å; E66-Y68 VanDerWaalsContact C-N 3.35Å; E66-Y68 PolarHBondContact O-N 3.29Å; E66-L69 PolarHBondContact O-N 3.24Å; E66-E70 HydrophobicContact CG-CG 4.33Å; E66-E70 WeakPolarHBondContact O-CB 3.36Å; E66-E70 WeakPolarHBondContact O-CG 2.98Å; E66-E70 PolarHBondContact O-N 3.13Å
67E98.5Very high98.6Very high139 Ų13949.4 Ų49.465%0.6525%0.253SS*.Hα-helixtrans-60.5-43.7-179.8-61.279.7-174.100112.2S65 G71S65-E67 VanDerWaalsContact C-N 3.28Å; S65-E67 WeakPolarHBondContact CB-OE2 3.33Å; S65-E67 PolarHBondContact O-N 3.38Å; E67-G71 PolarHBondContact O-N 2.92Å
68Y98.6Very high98.5Very high8 Ų848.6 Ų48.63%0.03125%0.248CC..Hα-helixtrans-66.8-46.5177.4175.1-118.6000111.9H64 S65 E66 E70 G71 V72 Y90 A141 V146 F147H64-Y68 HydrophobicContact CB-CD1 4.18Å; H64-Y68 AromaticContact ND1-CD1 3.71Å; H64-Y68 AromaticContact ND1-CE1 3.7Å; S65-Y68 PolarHBondContact O-N 3.37Å; S65-Y68 VanDerWaalsContact OG-CB 3.22Å; S65-Y68 WeakPolarHBondContact OG-CB 3.44Å; S65-Y68 PolarHBondContact OG-N 2.91Å; E66-Y68 VanDerWaalsContact C-N 3.35Å; E66-Y68 PolarHBondContact O-N 3.29Å; Y68-E70 VanDerWaalsContact C-N 3.34Å; Y68-E70 PolarHBondContact O-N 2.91Å; Y68-G71 WeakPolarHBondContact O-CA 3.41Å; Y68-G71 PolarHBondContact O-N 2.91Å; Y68-G71 VanDerWaalsContact O-N 3.11Å; Y68-V72 HydrophobicContact CD2-CG2 4.05Å; Y68-V72 HydrophobicContact CE1-CG2 4.23Å; Y68-V72 HydrophobicContact CE2-CG2 3.51Å; Y68-V72 WeakPolarHBondContact O-CG2 3.37Å; Y68-V72 PolarHBondContact O-N 3.21Å; Y68-Y90 HydrophobicContact CD2-CE1 4.5Å; Y68-Y90 HydrophobicContact CE2-CE1 4.18Å; Y68-A141 HydrophobicContact CE2-CB 4.46Å; Y68-A141 WeakPolarHBondContact OH-CA 3.43Å; Y68-A141 WeakPolarHBondContact OH-CB 3.42Å; Y68-A141 PolarHBondContact OH-N 3Å; Y68-V146 WeakPolarHBondContact CE1-O 3.43Å; Y68-V146 PolarHBondContact OH-O 3.37Å; Y68-F147 HydrophobicContact CD1-CE1 4.41Å; Y68-F147 AromaticContact CE1-CD1 3.98Å; Y68-F147 HydrophobicContact CE1-CD1 3.98Å; Y68-F147 AromaticContact CE1-CE1 3.91Å; Y68-F147 HydrophobicContact CE1-CE1 3.91Å
69L98.8Very high98.5Very high2 Ų248.6 Ų48.61%0.0124%0.241CC..Hα-helixtrans-57.7-46.7176.6174.656.9000111.5D57 I60 L61 S65 E66 G71 V72 K73 Y100 F147D57-L69 HydrophobicContact CB-CD2 3.97Å; I60-L69 HydrophobicContact CB-CD2 4.48Å; I60-L69 HydrophobicContact CD1-CD1 4.18Å; I60-L69 HydrophobicContact CG2-CD1 4.13Å; I60-L69 HydrophobicContact CG2-CD2 4.34Å; L61-L69 HydrophobicContact CD1-CD2 4.5Å; L61-L69 HydrophobicContact CD2-CD2 4Å; L61-L69 HydrophobicContact CG-CD2 4Å; S65-L69 PolarHBondContact O-N 2.95Å; S65-L69 VanDerWaalsContact O-N 3.11Å; E66-L69 PolarHBondContact O-N 3.24Å; L69-G71 VanDerWaalsContact C-N 3.28Å; L69-G71 PolarHBondContact O-N 2.8Å; L69-V72 PolarHBondContact O-N 3.4Å; L69-K73 HydrophobicContact CD1-CD 4.38Å; L69-K73 HydrophobicContact CD1-CG 4.26Å; L69-K73 HydrophobicContact CG-CD 4.26Å; L69-K73 WeakPolarHBondContact O-CB 3.39Å; L69-K73 WeakPolarHBondContact O-CG 3.42Å; L69-K73 PolarHBondContact O-N 3.01Å; L69-Y100 HydrophobicContact CD1-CE2 4.04Å; L69-F147 HydrophobicContact CD1-CE1 4.22Å; L69-F147 HydrophobicContact CD1-CZ 3.7Å
70E98.6Very high98.4Very high76 Ų7650.7 Ų50.736%0.35525%0.253SS..Hα-helixtrans-66.9-28.8177.7-69-54.612800112.9E66 Y68 K73 K74E66-E70 HydrophobicContact CG-CG 4.33Å; E66-E70 WeakPolarHBondContact O-CB 3.36Å; E66-E70 WeakPolarHBondContact O-CG 2.98Å; E66-E70 PolarHBondContact O-N 3.13Å; Y68-E70 VanDerWaalsContact C-N 3.34Å; Y68-E70 PolarHBondContact O-N 2.91Å; E70-K73 VanDerWaalsContact OE1-CD 3.3Å; E70-K73 WeakPolarHBondContact OE1-CD 3.49Å; E70-K73 WeakPolarHBondContact OE1-CE 3.38Å; E70-K73 IonicContact OE1-NZ 3.91Å; E70-K73 PolarHBondContact OE1-NZ 2.97Å; E70-K74 WeakPolarHBondContact O-CE 3.29Å; E70-K74 WeakPolarHBondContact O-CG 3.33Å
71G98.1Very high98.3Very high14 Ų1456.7 Ų56.714%0.14428%0.281CS..Hα-helixtrans-63.8-54.3168.700000111.9E67 Y68 L69 K73 K74E67-G71 PolarHBondContact O-N 2.92Å; Y68-G71 WeakPolarHBondContact O-CA 3.41Å; Y68-G71 PolarHBondContact O-N 2.91Å; Y68-G71 VanDerWaalsContact O-N 3.11Å; L69-G71 VanDerWaalsContact C-N 3.28Å; L69-G71 PolarHBondContact O-N 2.8Å; G71-K73 VanDerWaalsContact C-N 3.32Å; G71-K73 PolarHBondContact O-N 3.49Å; G71-K74 WeakPolarHBondContact O-CB 3.26Å; G71-K74 PolarHBondContact O-N 2.72Å; G71-K74 VanDerWaalsContact O-N 3.16Å
72V98.3Very high98.2Very high0 Ų056.7 Ų56.70%028%0.281CS..Hα-helixtrans-62.6-36.9-179.2176.90000111.7Y68 L69 K74 T75 F86 F95 Y100 V146 F147Y68-V72 HydrophobicContact CD2-CG2 4.05Å; Y68-V72 HydrophobicContact CE1-CG2 4.23Å; Y68-V72 HydrophobicContact CE2-CG2 3.51Å; Y68-V72 WeakPolarHBondContact O-CG2 3.37Å; Y68-V72 PolarHBondContact O-N 3.21Å; L69-V72 PolarHBondContact O-N 3.4Å; V72-K74 PolarHBondContact O-N 2.91Å; V72-K74 VanDerWaalsContact O-N 3.09Å; V72-T75 WeakPolarHBondContact O-CB 3.44Å; V72-T75 WeakPolarHBondContact O-CG2 3.34Å; V72-T75 PolarHBondContact O-N 2.95Å; V72-T75 PolarHBondContact O-OG1 3.38Å; V72-F86 HydrophobicContact CG2-CZ 4.4Å; V72-F95 HydrophobicContact CG1-CE1 4.18Å; V72-F95 HydrophobicContact CG2-CE1 4.15Å; V72-F95 HydrophobicContact CG2-CZ 4.43Å; V72-Y100 HydrophobicContact CG1-CD2 3.69Å; V72-Y100 HydrophobicContact CG1-CG 4.22Å; V72-V146 HydrophobicContact CG1-CG1 3.88Å; V72-V146 HydrophobicContact CG2-CG1 4.44Å; V72-F147 HydrophobicContact CB-CZ 4.36Å; V72-F147 HydrophobicContact CG1-CZ 4.05Å
73K98.6Very high98.2Very high45 Ų4554.4 Ų54.420%0.19627%0.269CS..THydrogen-bonded Turntrans-57.5-22.2176.1-85.7174176.7-179.50114.7D57 L69 E70 G71 P76 Y100D57-K73 VanDerWaalsContact CG-NZ 3.26Å; D57-K73 VanDerWaalsContact OD1-CE 3.23Å; D57-K73 WeakPolarHBondContact OD1-CE 3.43Å; D57-K73 IonicContact OD1-NZ 3.55Å; D57-K73 PolarHBondContact OD1-NZ 2.99Å; D57-K73 WeakPolarHBondContact OD2-CE 3.43Å; D57-K73 IonicContact OD2-NZ 3.66Å; D57-K73 PolarHBondContact OD2-NZ 2.78Å; L69-K73 HydrophobicContact CD1-CD 4.38Å; L69-K73 HydrophobicContact CD1-CG 4.26Å; L69-K73 HydrophobicContact CG-CD 4.26Å; L69-K73 WeakPolarHBondContact O-CB 3.39Å; L69-K73 WeakPolarHBondContact O-CG 3.42Å; L69-K73 PolarHBondContact O-N 3.01Å; E70-K73 VanDerWaalsContact OE1-CD 3.3Å; E70-K73 WeakPolarHBondContact OE1-CD 3.49Å; E70-K73 WeakPolarHBondContact OE1-CE 3.38Å; E70-K73 IonicContact OE1-NZ 3.91Å; E70-K73 PolarHBondContact OE1-NZ 2.97Å; G71-K73 VanDerWaalsContact C-N 3.32Å; G71-K73 PolarHBondContact O-N 3.49Å; K73-P76 VanDerWaalsContact O-CD 3.24Å; K73-P76 WeakPolarHBondContact O-CD 3.18Å; K73-Y100 WeakPolarHBondContact CE-OH 3.31Å; K73-Y100 HydrophobicContact CG-CE1 3.8Å; K73-Y100 HydrophobicContact CG-CE2 3.91Å; K73-Y100 VanDerWaalsContact CG-OH 3.31Å; K73-Y100 WeakPolarHBondContact CG-OH 3.36Å
74K98.3Very high98Very high126 Ų12657.4 Ų57.455%0.54828%0.281SS..THydrogen-bonded Turntrans-83.4-21.4178.6-65.5166.3-172.7170.30112.7E70 G71 V72 P76 H77 M78E70-K74 WeakPolarHBondContact O-CE 3.29Å; E70-K74 WeakPolarHBondContact O-CG 3.33Å; G71-K74 WeakPolarHBondContact O-CB 3.26Å; G71-K74 PolarHBondContact O-N 2.72Å; G71-K74 VanDerWaalsContact O-N 3.16Å; V72-K74 PolarHBondContact O-N 2.91Å; V72-K74 VanDerWaalsContact O-N 3.09Å; K74-P76 VanDerWaalsContact C-N 3.32Å; K74-H77 PolarHBondContact O-N 3.28Å; K74-M78 HydrophobicContact CB-CE 4.04Å
75T98.1Very high97.9Very high0 Ų063.6 Ų63.60%031%0.31CS..G310 helixtrans-56.4-32.1-176.264.10000114.9V72 H77 M78 L83 F86 F95V72-T75 WeakPolarHBondContact O-CB 3.44Å; V72-T75 WeakPolarHBondContact O-CG2 3.34Å; V72-T75 PolarHBondContact O-N 2.95Å; V72-T75 PolarHBondContact O-OG1 3.38Å; T75-H77 PolarHBondContact O-N 3.18Å; T75-H77 VanDerWaalsContact O-N 3.13Å; T75-M78 HydrophobicContact CG2-CE 4.49Å; T75-M78 HydrophobicContact CG2-SD 4.03Å; T75-M78 PolarHBondContact O-N 3.15Å; T75-L83 HydrophobicContact CG2-CD2 4.4Å; T75-F86 HydrophobicContact CG2-CD1 3.75Å; T75-F86 HydrophobicContact CG2-CE1 3.6Å; T75-F86 HydrophobicContact CG2-CG 4.34Å; T75-F86 HydrophobicContact CG2-CZ 4.09Å; T75-F95 HydrophobicContact CG2-CD1 3.76Å; T75-F95 HydrophobicContact CG2-CE1 4.28Å; T75-F95 HydrophobicContact CG2-CG 4.37Å
76P98.4Very high97.8Very high44 Ų4464.2 Ų64.229%0.28631%0.313SS..G310 helixtrans-63.6-17.7174.3-23.336.3000115.2K73 K74 P97 Y100K73-P76 VanDerWaalsContact O-CD 3.24Å; K73-P76 WeakPolarHBondContact O-CD 3.18Å; K74-P76 VanDerWaalsContact C-N 3.32Å; P76-P97 VanDerWaalsContact CA-O 3.24Å; P76-P97 WeakPolarHBondContact CA-O 3.41Å; P76-P97 WeakPolarHBondContact CB-O 3.46Å; P76-Y100 HydrophobicContact CG-CD1 4.03Å
77H97.8Very high97.6Very high167 Ų16758.8 Ų58.877%0.77329%0.288SS*.G310 helixtrans-110.43.3-176.3-55.8-51.6000113.1K74 T75K74-H77 PolarHBondContact O-N 3.28Å; T75-H77 PolarHBondContact O-N 3.18Å; T75-H77 VanDerWaalsContact O-N 3.13Å
78M98.1Very high97.4Very high45 Ų4559.3 Ų59.322%0.22229%0.294CS..  trans-80.1148.5179.7-77.3178177.900111.6K74 T75 D82 L83 F86K74-M78 HydrophobicContact CB-CE 4.04Å; T75-M78 HydrophobicContact CG2-CE 4.49Å; T75-M78 HydrophobicContact CG2-SD 4.03Å; T75-M78 PolarHBondContact O-N 3.15Å; M78-D82 HydrophobicContact CB-CB 3.83Å; M78-D82 HydrophobicContact CG-CB 3.99Å; M78-D82 HydrophobicContact SD-CB 4.45Å; M78-L83 HydrophobicContact CB-CD2 3.92Å; M78-L83 HydrophobicContact CB-CG 3.72Å; M78-L83 HydrophobicContact SD-CD2 4.11Å; M78-F86 HydrophobicContact CE-CB 4.32Å; M78-F86 HydrophobicContact CE-CD2 3.77Å; M78-F86 HydrophobicContact CE-CE2 4.35Å; M78-F86 HydrophobicContact CE-CG 4.14Å; M78-F86 HydrophobicContact SD-CB 3.94Å; M78-F86 HydrophobicContact SD-CD2 4.38Å; M78-F86 HydrophobicContact SD-CG 4.14Å
79T97.8Very high97.1Very high71 Ų7165 Ų6544%0.43632%0.321SS..  trans-70.7170.4166.566.50000110.7E81 D82 L83T79-E81 VanDerWaalsContact C-N 3.28Å; T79-E81 PolarHBondContact O-N 3.39Å; T79-D82 WeakPolarHBondContact CB-OD2 3.5Å; T79-D82 PolarHBondContact N-OD2 3.4Å; T79-D82 PolarHBondContact O-N 3.44Å; T79-D82 PolarHBondContact OG1-N 2.69Å; T79-D82 PolarHBondContact OG1-OD2 3.11Å; T79-L83 WeakPolarHBondContact O-CB 3.47Å; T79-L83 WeakPolarHBondContact O-CG 3.31Å; T79-L83 PolarHBondContact O-N 2.69Å
80L96.8Very high96.9Very high63 Ų6367 Ų6733%0.3333%0.329SS..Hα-helixtrans-62-39.4177-178.961.5000111.5L17 W18 L83 K84L17-L80 HydrophobicContact CB-CD1 3.74Å; L17-L80 HydrophobicContact CD1-CD1 3.81Å; L17-L80 HydrophobicContact CG-CD1 4.45Å; W18-L80 HydrophobicContact CE3-CD1 3.79Å; W18-L80 HydrophobicContact CZ3-CD1 3.82Å; L80-L83 PolarHBondContact O-N 3.47Å; L80-K84 WeakPolarHBondContact O-CG 3.3Å; L80-K84 PolarHBondContact O-N 3.02Å
81E97.1Very high96.3Very high127 Ų12765 Ų6559%0.59333%0.329SS*.Hα-helixtrans-63.8-47176-6968.6-151.800111.2T79 L83 K84 E85T79-E81 VanDerWaalsContact C-N 3.28Å; T79-E81 PolarHBondContact O-N 3.39Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 2.94Å; E81-K84 WeakPolarHBondContact O-CB 3.26Å; E81-K84 PolarHBondContact O-N 3.17Å; E81-E85 PolarHBondContact O-N 3.49Å
82D97.7Very high95.8Very high71 Ų7167.4 Ų67.438%0.3834%0.339SS..Hα-helixtrans-63.3-37.8177.4-60-38.9000111.6M78 T79 E85 F86M78-D82 HydrophobicContact CB-CB 3.83Å; M78-D82 HydrophobicContact CG-CB 3.99Å; M78-D82 HydrophobicContact SD-CB 4.45Å; T79-D82 WeakPolarHBondContact CB-OD2 3.5Å; T79-D82 PolarHBondContact N-OD2 3.4Å; T79-D82 PolarHBondContact O-N 3.44Å; T79-D82 PolarHBondContact OG1-N 2.69Å; T79-D82 PolarHBondContact OG1-OD2 3.11Å; D82-E85 PolarHBondContact O-N 3.15Å; D82-F86 VanDerWaalsContact O-CB 3.31Å; D82-F86 WeakPolarHBondContact O-CB 3.12Å; D82-F86 PolarHBondContact O-N 3.13Å
83L97.4Very high95.7Very high1 Ų167.6 Ų67.61%0.00534%0.339CS..Hα-helixtrans-64.8-39.7176-79.1171.7000112.2W18 T75 M78 T79 L80 E81 F86 T87 F95 P97W18-L83 HydrophobicContact CZ3-CB 4.5Å; T75-L83 HydrophobicContact CG2-CD2 4.4Å; M78-L83 HydrophobicContact CB-CD2 3.92Å; M78-L83 HydrophobicContact CB-CG 3.72Å; M78-L83 HydrophobicContact SD-CD2 4.11Å; T79-L83 WeakPolarHBondContact O-CB 3.47Å; T79-L83 WeakPolarHBondContact O-CG 3.31Å; T79-L83 PolarHBondContact O-N 2.69Å; L80-L83 PolarHBondContact O-N 3.47Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 2.94Å; L83-F86 PolarHBondContact O-N 3.18Å; L83-T87 VanDerWaalsContact O-CB 3.29Å; L83-T87 WeakPolarHBondContact O-CB 3.32Å; L83-T87 PolarHBondContact O-N 3.02Å; L83-T87 PolarHBondContact O-OG1 3.4Å; L83-F95 HydrophobicContact CD2-CB 3.82Å; L83-P97 HydrophobicContact CD1-CG 3.85Å
84K95.9Very high95.7Very high77 Ų7765.5 Ų65.534%0.33533%0.33SS..Hα-helixtrans-63.6-47.4174-74.5172.7179.5177.90110.5W18 L80 E81 F86 T87 L88W18-K84 HydrophobicContact CD2-CD 4.31Å; W18-K84 HydrophobicContact CD2-CG 3.74Å; W18-K84 HydrophobicContact CE3-CD 4.19Å; W18-K84 VanDerWaalsContact CE3-CE 3.49Å; W18-K84 HydrophobicContact CE3-CG 3.56Å; W18-K84 HydrophobicContact CG-CG 4.44Å; W18-K84 HydrophobicContact CH2-CG 4Å; W18-K84 HydrophobicContact CZ2-CG 4.17Å; W18-K84 HydrophobicContact CZ3-CG 3.69Å; L80-K84 WeakPolarHBondContact O-CG 3.3Å; L80-K84 PolarHBondContact O-N 3.02Å; E81-K84 WeakPolarHBondContact O-CB 3.26Å; E81-K84 PolarHBondContact O-N 3.17Å; K84-F86 VanDerWaalsContact C-N 3.32Å; K84-F86 PolarHBondContact O-N 3.46Å; K84-T87 WeakPolarHBondContact O-CB 3.16Å; K84-T87 PolarHBondContact O-N 3.29Å; K84-L88 VanDerWaalsContact O-CG 3.31Å; K84-L88 WeakPolarHBondContact O-CG 3.36Å; K84-L88 PolarHBondContact O-N 3.18Å
85E96.6Very high95.7Very high133 Ų13359.5 Ų59.562%0.62130%0.304SS*.Hα-helixtrans-62-40.1177.4-174.1173.1-171.500112.1E81 D82 T87 L88E81-E85 PolarHBondContact O-N 3.49Å; D82-E85 PolarHBondContact O-N 3.15Å; E85-T87 VanDerWaalsContact C-N 3.35Å; E85-L88 PolarHBondContact O-N 3.29Å
86F96.6Very high95.7Very high16 Ų1661.1 Ų61.17%0.0731%0.312CS..Hα-helixtrans-63-42.3173.7-171.3-97.1000111.9V72 T75 M78 D82 L83 K84 L88 Q89 Y90 F95V72-F86 HydrophobicContact CG2-CZ 4.4Å; T75-F86 HydrophobicContact CG2-CD1 3.75Å; T75-F86 HydrophobicContact CG2-CE1 3.6Å; T75-F86 HydrophobicContact CG2-CG 4.34Å; T75-F86 HydrophobicContact CG2-CZ 4.09Å; M78-F86 HydrophobicContact CE-CB 4.32Å; M78-F86 HydrophobicContact CE-CD2 3.77Å; M78-F86 HydrophobicContact CE-CE2 4.35Å; M78-F86 HydrophobicContact CE-CG 4.14Å; M78-F86 HydrophobicContact SD-CB 3.94Å; M78-F86 HydrophobicContact SD-CD2 4.38Å; M78-F86 HydrophobicContact SD-CG 4.14Å; D82-F86 VanDerWaalsContact O-CB 3.31Å; D82-F86 WeakPolarHBondContact O-CB 3.12Å; D82-F86 PolarHBondContact O-N 3.13Å; L83-F86 PolarHBondContact O-N 3.18Å; K84-F86 VanDerWaalsContact C-N 3.32Å; K84-F86 PolarHBondContact O-N 3.46Å; F86-L88 PolarHBondContact O-N 3.28Å; F86-Q89 WeakPolarHBondContact O-CB 3.46Å; F86-Q89 PolarHBondContact O-N 3.33Å; F86-Y90 HydrophobicContact CD1-CE2 4.01Å; F86-Y90 AromaticContact CE1-CE2 3.62Å; F86-Y90 HydrophobicContact CE1-CE2 3.62Å; F86-Y90 HydrophobicContact CE2-CE2 4.43Å; F86-Y90 AromaticContact CZ-CE2 3.85Å; F86-Y90 HydrophobicContact CZ-CE2 3.85Å; F86-Y90 WeakPolarHBondContact O-CD2 3.32Å; F86-Y90 WeakPolarHBondContact O-CE2 3.24Å; F86-F95 HydrophobicContact CD1-CD1 4.16Å; F86-F95 AromaticContact CD1-CD2 3.71Å; F86-F95 HydrophobicContact CD1-CD2 3.71Å; F86-F95 HydrophobicContact CD1-CE1 4.32Å; F86-F95 AromaticContact CD1-CE2 3.88Å; F86-F95 HydrophobicContact CD1-CE2 3.88Å; F86-F95 AromaticContact CD1-CG 3.86Å; F86-F95 HydrophobicContact CD1-CG 3.86Å; F86-F95 HydrophobicContact CD1-CZ 4.19Å; F86-F95 AromaticContact CE1-CD1 3.98Å; F86-F95 HydrophobicContact CE1-CD1 3.98Å; F86-F95 AromaticContact CE1-CD2 3.98Å; F86-F95 HydrophobicContact CE1-CD2 3.98Å; F86-F95 AromaticContact CE1-CE1 3.72Å; F86-F95 HydrophobicContact CE1-CE1 3.72Å; F86-F95 AromaticContact CE1-CE2 3.71Å; F86-F95 HydrophobicContact CE1-CE2 3.71Å; F86-F95 HydrophobicContact CE1-CG 4.11Å; F86-F95 AromaticContact CE1-CZ 3.58Å; F86-F95 HydrophobicContact CE1-CZ 3.58Å
87T94.7Very high95.7Very high9 Ų961.5 Ų61.56%0.05531%0.314CS..Hα-helixtrans-62.3-42.4178.8-62.70000112.1W18 L83 K84 E85 Q89 Y90 V93 F95W18-T87 HydrophobicContact CZ2-CG2 4.08Å; L83-T87 VanDerWaalsContact O-CB 3.29Å; L83-T87 WeakPolarHBondContact O-CB 3.32Å; L83-T87 PolarHBondContact O-N 3.02Å; L83-T87 PolarHBondContact O-OG1 3.4Å; K84-T87 WeakPolarHBondContact O-CB 3.16Å; K84-T87 PolarHBondContact O-N 3.29Å; E85-T87 VanDerWaalsContact C-N 3.35Å; T87-Q89 PolarHBondContact O-N 2.88Å; T87-Y90 PolarHBondContact O-N 2.82Å; T87-V93 WeakPolarHBondContact CG2-O 3.4Å; T87-F95 PolarHBondContact OG1-N 3.18Å
88L93.3Very high95.7Very high150 Ų15055.3 Ų55.379%0.78529%0.287SS*.THydrogen-bonded Turntrans-61.9-10-178-72171.2000114.4K84 E85 F86 Y90K84-L88 VanDerWaalsContact O-CG 3.31Å; K84-L88 WeakPolarHBondContact O-CG 3.36Å; K84-L88 PolarHBondContact O-N 3.18Å; E85-L88 PolarHBondContact O-N 3.29Å; F86-L88 PolarHBondContact O-N 3.28Å; L88-Y90 VanDerWaalsContact C-N 3.25Å
89Q93.1Very high95.7Very high128 Ų12853.2 Ų53.260%0.59828%0.277SS*.THydrogen-bonded Turntrans-77.8-12.6174.6-60.2175.548.300112.7F86 T87F86-Q89 WeakPolarHBondContact O-CB 3.46Å; F86-Q89 PolarHBondContact O-N 3.33Å; T87-Q89 PolarHBondContact O-N 2.88Å
90Y94.2Very high95.8Very high44 Ų4451 Ų5117%0.17326%0.26CS..SBendtrans-125.5163.2-171.3-55.4-69.7000111.5Y68 F86 T87 L88 V93 F95 A140 A141Y68-Y90 HydrophobicContact CD2-CE1 4.5Å; Y68-Y90 HydrophobicContact CE2-CE1 4.18Å; F86-Y90 HydrophobicContact CD1-CE2 4.01Å; F86-Y90 AromaticContact CE1-CE2 3.62Å; F86-Y90 HydrophobicContact CE1-CE2 3.62Å; F86-Y90 HydrophobicContact CE2-CE2 4.43Å; F86-Y90 AromaticContact CZ-CE2 3.85Å; F86-Y90 HydrophobicContact CZ-CE2 3.85Å; F86-Y90 WeakPolarHBondContact O-CD2 3.32Å; F86-Y90 WeakPolarHBondContact O-CE2 3.24Å; T87-Y90 PolarHBondContact O-N 2.82Å; L88-Y90 VanDerWaalsContact C-N 3.25Å; Y90-V93 VanDerWaalsContact CB-CG1 3.45Å; Y90-V93 HydrophobicContact CG-CG1 4.34Å; Y90-F95 AromaticContact CD2-CE2 3.82Å; Y90-F95 HydrophobicContact CD2-CE2 3.82Å; Y90-F95 HydrophobicContact CD2-CZ 4.49Å; Y90-F95 HydrophobicContact CE2-CE2 4.07Å; Y90-F95 HydrophobicContact CE2-CZ 4.42Å; Y90-A140 HydrophobicContact CD1-CB 3.88Å; Y90-A140 HydrophobicContact CE1-CB 3.98Å; Y90-A141 WeakPolarHBondContact CB-O 3.29Å; Y90-A141 HydrophobicContact CD1-CB 4.16Å; Y90-A141 HydrophobicContact CD2-CB 4.33Å; Y90-A141 HydrophobicContact CG-CB 3.99Å
91G85.1Confident95.9Very high35 Ų3550.7 Ų50.736%0.36126%0.257SS..BIsolated β-bridgetrans-95.3122.2-17900000112.6V93 S142 G143G91-V93 PolarHBondContact O-N 3.15Å; G91-S142 CarbonylContact O-C 3.47Å; G91-S142 VanDerWaalsContact O-CA 3.31Å; G91-S142 WeakPolarHBondContact O-CA 3.47Å; G91-G143 PolarHBondContact O-N 2.96Å
92D88.9Confident96Very high64 Ų6444.6 Ų44.634%0.34223%0.229SC..SBendtrans48.454.1171.1-53.8-38.3000113.9G143 F144 W203D92-G143 CarbonylContact O-C 3.5Å; D92-G143 WeakPolarHBondContact O-CA 3.44Å; D92-G143 PolarHBondContact O-N 2.84Å; D92-F144 VanDerWaalsContact O-CD1 3.25Å; D92-F144 WeakPolarHBondContact O-CD1 3.31Å; D92-F144 WeakPolarHBondContact O-CE1 3.4Å; D92-F144 PolarHBondContact O-N 3.44Å; D92-W203 VanDerWaalsContact OD2-CD1 3.26Å; D92-W203 PolarHBondContact OD2-NE1 3.03Å
93V95.5Very high96Very high3 Ų341.2 Ų41.22%0.01821%0.211CC..  trans-139.8162.1175.362.50000108.4T87 Y90 G91 F95 A141T87-V93 WeakPolarHBondContact CG2-O 3.4Å; Y90-V93 VanDerWaalsContact CB-CG1 3.45Å; Y90-V93 HydrophobicContact CG-CG1 4.34Å; G91-V93 PolarHBondContact O-N 3.15Å; V93-F95 HydrophobicContact CG1-CE2 4.24Å; V93-F95 HydrophobicContact CG2-CE2 4.37Å; V93-A141 HydrophobicContact CB-CB 4.45Å; V93-A141 HydrophobicContact CG1-CB 3.91Å; V93-A141 HydrophobicContact CG2-CB 4.11Å
94Y97.4Very high96.1Very high2 Ų242.5 Ų42.51%0.00822%0.216CC..  trans-135.1148.6170.566-87.6000110.9Y14 L16 C23 E26 I99Y14-Y94 AromaticContact CD2-CE2 3.81Å; Y14-Y94 HydrophobicContact CD2-CE2 3.81Å; Y14-Y94 AromaticContact CE2-CE2 3.9Å; Y14-Y94 HydrophobicContact CE2-CE2 3.9Å; Y14-Y94 AromaticContact CE2-CZ 3.79Å; Y14-Y94 VanDerWaalsContact CE2-OH 3.26Å; Y14-Y94 WeakPolarHBondContact CE2-OH 3.42Å; L16-Y94 HydrophobicContact CB-CD1 4.41Å; L16-Y94 HydrophobicContact CB-CD2 4.21Å; L16-Y94 HydrophobicContact CB-CE1 4.43Å; L16-Y94 HydrophobicContact CB-CE2 4.25Å; L16-Y94 HydrophobicContact CB-CG 4.28Å; L16-Y94 HydrophobicContact CD1-CD1 4.19Å; L16-Y94 HydrophobicContact CD1-CD2 4.24Å; L16-Y94 HydrophobicContact CD1-CG 3.76Å; C23-Y94 HydrophobicContact CB-CD1 3.8Å; C23-Y94 HydrophobicContact CB-CE1 4.47Å; E26-Y94 HydrophobicContact CB-CE1 4.2Å; E26-Y94 PolarHBondContact O-OH 3.19Å; E26-Y94 PolarHBondContact OE2-OH 3.5Å; Y94-I99 WeakPolarHBondContact O-CD1 3.48Å
95F98.3Very high96.2Very high0 Ų039.5 Ų39.50%020%0.204CC..  trans-107.8147.7174.1-74.2-96.1000112.1W18 V72 T75 L83 F86 T87 Y90 V93 I99 A141 V146W18-F95 WeakPolarHBondContact CH2-O 3.4Å; V72-F95 HydrophobicContact CG1-CE1 4.18Å; V72-F95 HydrophobicContact CG2-CE1 4.15Å; V72-F95 HydrophobicContact CG2-CZ 4.43Å; T75-F95 HydrophobicContact CG2-CD1 3.76Å; T75-F95 HydrophobicContact CG2-CE1 4.28Å; T75-F95 HydrophobicContact CG2-CG 4.37Å; L83-F95 HydrophobicContact CD2-CB 3.82Å; F86-F95 HydrophobicContact CD1-CD1 4.16Å; F86-F95 AromaticContact CD1-CD2 3.71Å; F86-F95 HydrophobicContact CD1-CD2 3.71Å; F86-F95 HydrophobicContact CD1-CE1 4.32Å; F86-F95 AromaticContact CD1-CE2 3.88Å; F86-F95 HydrophobicContact CD1-CE2 3.88Å; F86-F95 AromaticContact CD1-CG 3.86Å; F86-F95 HydrophobicContact CD1-CG 3.86Å; F86-F95 HydrophobicContact CD1-CZ 4.19Å; F86-F95 AromaticContact CE1-CD1 3.98Å; F86-F95 HydrophobicContact CE1-CD1 3.98Å; F86-F95 AromaticContact CE1-CD2 3.98Å; F86-F95 HydrophobicContact CE1-CD2 3.98Å; F86-F95 AromaticContact CE1-CE1 3.72Å; F86-F95 HydrophobicContact CE1-CE1 3.72Å; F86-F95 AromaticContact CE1-CE2 3.71Å; F86-F95 HydrophobicContact CE1-CE2 3.71Å; F86-F95 HydrophobicContact CE1-CG 4.11Å; F86-F95 AromaticContact CE1-CZ 3.58Å; F86-F95 HydrophobicContact CE1-CZ 3.58Å; T87-F95 PolarHBondContact OG1-N 3.18Å; Y90-F95 AromaticContact CD2-CE2 3.82Å; Y90-F95 HydrophobicContact CD2-CE2 3.82Å; Y90-F95 HydrophobicContact CD2-CZ 4.49Å; Y90-F95 HydrophobicContact CE2-CE2 4.07Å; Y90-F95 HydrophobicContact CE2-CZ 4.42Å; V93-F95 HydrophobicContact CG1-CE2 4.24Å; V93-F95 HydrophobicContact CG2-CE2 4.37Å; F95-I99 HydrophobicContact CB-CG2 4.32Å; F95-I99 HydrophobicContact CD1-CG2 3.57Å; F95-I99 HydrophobicContact CE1-CG2 4.29Å; F95-I99 HydrophobicContact CG-CG2 4.31Å; F95-A141 HydrophobicContact CE2-CB 3.98Å; F95-A141 HydrophobicContact CZ-CB 3.76Å; F95-V146 HydrophobicContact CE1-CG1 4.27Å; F95-V146 HydrophobicContact CE1-CG2 4.19Å; F95-V146 HydrophobicContact CZ-CG2 4.45Å
96H98.5Very high96.3Very high34 Ų3433.1 Ų33.116%0.15717%0.174CC..  trans-137.2150.7178.9174.8-88.7000108.1Y14 K15 N98 I99Y14-H96 WeakPolarHBondContact CB-ND1 3.25Å; K15-H96 PolarHBondContact O-CD2 3.4Å; H96-N98 WeakPolarHBondContact ND1-CB 3.49Å; H96-N98 PolarHBondContact ND1-N 3.02Å; H96-N98 PolarHBondContact O-N 3.33Å; H96-I99 HydrophobicContact CB-CB 4.22Å; H96-I99 WeakPolarHBondContact O-CB 3.36Å; H96-I99 VanDerWaalsContact O-CG2 3.23Å; H96-I99 WeakPolarHBondContact O-CG2 3.43Å; H96-I99 PolarHBondContact O-N 3.29Å
97P98.3Very high96.5Very high52 Ų5232.4 Ų32.434%0.33817%0.171SC..THydrogen-bonded Turntrans-53.5-28.8-178.7-28.635.6000114.7P76 L83P76-P97 VanDerWaalsContact CA-O 3.24Å; P76-P97 WeakPolarHBondContact CA-O 3.41Å; P76-P97 WeakPolarHBondContact CB-O 3.46Å; L83-P97 HydrophobicContact CD1-CG 3.85Å
98N98.6Very high96.7Very high37 Ų3732 Ų3220%0.19817%0.168CC..THydrogen-bonded Turntrans-92.7-8.7177.9-153.328.5000114.8E10 K13 H96 Y100 H101 C102E10-N98 PolarHBondContact OE1-ND2 3.13Å; K13-N98 WeakPolarHBondContact CB-ND2 3.45Å; K13-N98 WeakPolarHBondContact O-CB 3.28Å; K13-N98 PolarHBondContact O-ND2 3.13Å; H96-N98 WeakPolarHBondContact ND1-CB 3.49Å; H96-N98 PolarHBondContact ND1-N 3.02Å; H96-N98 PolarHBondContact O-N 3.33Å; N98-Y100 VanDerWaalsContact C-N 3.3Å; N98-Y100 PolarHBondContact O-N 3.42Å; N98-H101 WeakPolarHBondContact O-CB 3.41Å; N98-H101 PolarHBondContact O-N 3.06Å; N98-H101 VanDerWaalsContact O-N 3.1Å; N98-C102 PolarHBondContact O-N 3.37Å; N98-C102 PolarHBondContact O-SG 3Å; N98-C102 VanDerWaalsContact O-SG 3.37Å
99I98.6Very high96.9Very high1 Ų124.8 Ų24.81%0.00513%0.131CC..Hα-helixtrans-65.1-32.8-169.4-157.5172.2000112.5Y14 Y94 F95 H96 C102 A103 P131 V146Y14-I99 HydrophobicContact CD2-CB 4.2Å; Y14-I99 HydrophobicContact CD2-CD1 3.73Å; Y14-I99 HydrophobicContact CD2-CG1 3.66Å; Y14-I99 HydrophobicContact CE2-CD1 3.7Å; Y14-I99 HydrophobicContact CE2-CG1 3.88Å; Y14-I99 HydrophobicContact CG-CB 4.36Å; Y14-I99 HydrophobicContact CG-CG1 4.08Å; Y94-I99 WeakPolarHBondContact O-CD1 3.48Å; F95-I99 HydrophobicContact CB-CG2 4.32Å; F95-I99 HydrophobicContact CD1-CG2 3.57Å; F95-I99 HydrophobicContact CE1-CG2 4.29Å; F95-I99 HydrophobicContact CG-CG2 4.31Å; H96-I99 HydrophobicContact CB-CB 4.22Å; H96-I99 WeakPolarHBondContact O-CB 3.36Å; H96-I99 VanDerWaalsContact O-CG2 3.23Å; H96-I99 WeakPolarHBondContact O-CG2 3.43Å; H96-I99 PolarHBondContact O-N 3.29Å; I99-C102 PolarHBondContact O-N 3.41Å; I99-A103 WeakPolarHBondContact O-CB 3.34Å; I99-A103 PolarHBondContact O-N 2.96Å; I99-P131 HydrophobicContact CG1-CG 4.35Å; I99-V146 HydrophobicContact CD1-CG2 3.74Å; I99-V146 HydrophobicContact CG1-CG2 4.01Å
100Y98.8Very high97.2Very high23 Ų2318.8 Ų18.89%0.0910%0.102CC..Hα-helixtrans-63.8-41.3175.4170.9-120.9000111.9L69 V72 K73 P76 N98 A103 K104 F147L69-Y100 HydrophobicContact CD1-CE2 4.04Å; V72-Y100 HydrophobicContact CG1-CD2 3.69Å; V72-Y100 HydrophobicContact CG1-CG 4.22Å; K73-Y100 WeakPolarHBondContact CE-OH 3.31Å; K73-Y100 HydrophobicContact CG-CE1 3.8Å; K73-Y100 HydrophobicContact CG-CE2 3.91Å; K73-Y100 VanDerWaalsContact CG-OH 3.31Å; K73-Y100 WeakPolarHBondContact CG-OH 3.36Å; P76-Y100 HydrophobicContact CG-CD1 4.03Å; N98-Y100 VanDerWaalsContact C-N 3.3Å; N98-Y100 PolarHBondContact O-N 3.42Å; Y100-A103 PolarHBondContact O-N 3.44Å; Y100-K104 HydrophobicContact CD2-CG 4.36Å; Y100-K104 HydrophobicContact CE1-CD 4.14Å; Y100-K104 HydrophobicContact CE2-CD 3.94Å; Y100-K104 HydrophobicContact CE2-CG 3.9Å; Y100-K104 WeakPolarHBondContact O-CG 3.27Å; Y100-K104 PolarHBondContact O-N 3.47Å; Y100-F147 AromaticContact CD2-CE2 3.96Å; Y100-F147 HydrophobicContact CD2-CE2 3.96Å; Y100-F147 HydrophobicContact CD2-CZ 4.08Å; Y100-F147 AromaticContact CE2-CE2 3.96Å; Y100-F147 HydrophobicContact CE2-CE2 3.96Å; Y100-F147 AromaticContact CE2-CZ 4Å; Y100-F147 HydrophobicContact CE2-CZ 4Å
101H98.9Very high97.4Very high57 Ų5716.7 Ų16.726%0.2649%0.094SC..Hα-helixtrans-64.4-49.2176.2176.255.7000110.7E10 E54 N98 A103 K104 L105E10-H101 WeakPolarHBondContact CG-NE2 3.12Å; E10-H101 IonicContact OE1-CD2 2.94Å; E54-H101 IonicContact OE1-CE1 3.16Å; E54-H101 PolarHBondContact OE1-CE1 3.38Å; E54-H101 IonicContact OE1-CG 2.75Å; E54-H101 IonicContact OE1-ND1 2.76Å; E54-H101 PolarHBondContact OE1-ND1 3.04Å; N98-H101 WeakPolarHBondContact O-CB 3.41Å; N98-H101 PolarHBondContact O-N 3.06Å; N98-H101 VanDerWaalsContact O-N 3.1Å; H101-A103 VanDerWaalsContact C-N 3.34Å; H101-A103 PolarHBondContact O-N 3.12Å; H101-K104 WeakPolarHBondContact O-CB 3.43Å; H101-K104 PolarHBondContact O-N 3.3Å; H101-L105 PolarHBondContact O-N 3.25Å
102C98.9Very high98.1Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-60.6-40.1176.5-57.50000112.3E10 Y14 N98 I99 K104 L105 A106E10-C102 PolarHBondContact O-SG 2.83Å; Y14-C102 HydrophobicContact CD1-CB 3.79Å; Y14-C102 HydrophobicContact CE1-CB 4.15Å; N98-C102 PolarHBondContact O-N 3.37Å; N98-C102 PolarHBondContact O-SG 3Å; N98-C102 VanDerWaalsContact O-SG 3.37Å; I99-C102 PolarHBondContact O-N 3.41Å; C102-K104 VanDerWaalsContact C-N 3.35Å; C102-K104 PolarHBondContact O-N 3.39Å; C102-L105 CarbonylContact O-C 3.58Å; C102-L105 WeakPolarHBondContact O-CB 3.27Å; C102-L105 PolarHBondContact O-N 2.82Å; C102-L105 VanDerWaalsContact O-N 3.13Å; C102-A106 WeakPolarHBondContact O-CB 3.28Å; C102-A106 PolarHBondContact O-N 2.99Å
103A98.9Very high98.6Very high0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-64.1-37176.800000112.5I99 Y100 H101 A106 A107 P131 V146 F147I99-A103 WeakPolarHBondContact O-CB 3.34Å; I99-A103 PolarHBondContact O-N 2.96Å; Y100-A103 PolarHBondContact O-N 3.44Å; H101-A103 VanDerWaalsContact C-N 3.34Å; H101-A103 PolarHBondContact O-N 3.12Å; A103-A106 PolarHBondContact O-N 3.27Å; A103-A107 WeakPolarHBondContact O-CB 3.32Å; A103-A107 PolarHBondContact O-N 2.89Å; A103-P131 HydrophobicContact CB-CG 3.81Å; A103-V146 HydrophobicContact CB-CB 3.9Å; A103-V146 HydrophobicContact CB-CG1 3.89Å; A103-F147 HydrophobicContact CB-CD2 3.76Å; A103-F147 HydrophobicContact CB-CE2 4.1Å
104K98.9Very high98.7Very high28 Ų2813.9 Ų13.912%0.1227%0.069CC..Hα-helixtrans-64.9-40.7171-73.3-169.9-67.61690111.9E54 A55 I60 Y100 H101 C102 G108E54-K104 HydrophobicContact CB-CB 3.99Å; E54-K104 HydrophobicContact CB-CD 4.4Å; E54-K104 HydrophobicContact CG-CB 4.17Å; E54-K104 WeakPolarHBondContact OE1-CE 3.13Å; E54-K104 IonicContact OE1-NZ 3.45Å; E54-K104 PolarHBondContact OE1-NZ 3.07Å; E54-K104 VanDerWaalsContact OE1-NZ 3.11Å; E54-K104 WeakPolarHBondContact OE2-CE 3.49Å; E54-K104 IonicContact OE2-NZ 3.47Å; E54-K104 PolarHBondContact OE2-NZ 3.47Å; A55-K104 PolarHBondContact N-O 3.14Å; I60-K104 HydrophobicContact CD1-CG 4.14Å; Y100-K104 HydrophobicContact CD2-CG 4.36Å; Y100-K104 HydrophobicContact CE1-CD 4.14Å; Y100-K104 HydrophobicContact CE2-CD 3.94Å; Y100-K104 HydrophobicContact CE2-CG 3.9Å; Y100-K104 WeakPolarHBondContact O-CG 3.27Å; Y100-K104 PolarHBondContact O-N 3.47Å; H101-K104 WeakPolarHBondContact O-CB 3.43Å; H101-K104 PolarHBondContact O-N 3.3Å; C102-K104 VanDerWaalsContact C-N 3.35Å; C102-K104 PolarHBondContact O-N 3.39Å; K104-G108 PolarHBondContact O-N 2.77Å
105L98.9Very high98.8Very high13 Ų1314.6 Ų14.67%0.0687%0.073CC..Hα-helixtrans-65.7-40.6176.1-68.7176.4000111.8E10 M11 P52 E54 H101 C102 G108 S109E10-L105 HydrophobicContact CB-CD1 3.86Å; E10-L105 HydrophobicContact CG-CD1 3.68Å; M11-L105 HydrophobicContact CG-CB 4Å; M11-L105 HydrophobicContact CG-CD1 4.42Å; M11-L105 HydrophobicContact SD-CB 4.12Å; P52-L105 HydrophobicContact CB-CD2 4.4Å; E54-L105 HydrophobicContact CG-CD2 3.93Å; E54-L105 HydrophobicContact CG-CG 4.49Å; H101-L105 PolarHBondContact O-N 3.25Å; C102-L105 CarbonylContact O-C 3.58Å; C102-L105 WeakPolarHBondContact O-CB 3.27Å; C102-L105 PolarHBondContact O-N 2.82Å; C102-L105 VanDerWaalsContact O-N 3.13Å; L105-G108 PolarHBondContact O-N 2.81Å; L105-S109 VanDerWaalsContact O-CB 3.23Å; L105-S109 WeakPolarHBondContact O-CB 3.41Å; L105-S109 PolarHBondContact O-N 3.47Å; L105-S109 PolarHBondContact O-OG 3.43Å
106A98.9Very high98.8Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-60.7-52.9176.700000111.2M11 C102 A103 G108 S109 A110 V129M11-A106 HydrophobicContact SD-CB 4.2Å; C102-A106 WeakPolarHBondContact O-CB 3.28Å; C102-A106 PolarHBondContact O-N 2.99Å; A103-A106 PolarHBondContact O-N 3.27Å; A106-G108 PolarHBondContact O-N 2.82Å; A106-S109 WeakPolarHBondContact O-CB 3.23Å; A106-S109 PolarHBondContact O-N 2.92Å; A106-A110 PolarHBondContact O-N 2.82Å; A106-V129 HydrophobicContact CB-CB 3.81Å; A106-V129 HydrophobicContact CB-CG1 4.36Å; A106-V129 HydrophobicContact CB-CG2 4.32Å
107A98.9Very high98.8Very high0 Ų013.4 Ų13.40%07%0.069CC..Hα-helixtrans-61.9-46.4177.400000111.6A55 A103 S109 A110 L111 N149 I152A55-A107 HydrophobicContact CB-CB 3.77Å; A103-A107 WeakPolarHBondContact O-CB 3.32Å; A103-A107 PolarHBondContact O-N 2.89Å; A107-S109 VanDerWaalsContact C-N 3.29Å; A107-S109 PolarHBondContact O-N 2.88Å; A107-A110 WeakPolarHBondContact O-CB 3.48Å; A107-A110 PolarHBondContact O-N 2.82Å; A107-L111 WeakPolarHBondContact O-CG 3.27Å; A107-L111 PolarHBondContact O-N 2.99Å; A107-L111 VanDerWaalsContact O-N 3.11Å; A107-N149 WeakPolarHBondContact CA-OD1 3.44Å; A107-N149 PolarHBondContact N-OD1 3.03Å; A107-I152 HydrophobicContact CB-CD1 4.23Å
108G98.9Very high98.9Very high0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-68.5-26-179.900000113.9R53 K104 L105 A106 L111 Q112R53-G108 CarbonylContact O-C 3.56Å; R53-G108 VanDerWaalsContact O-CA 3.25Å; R53-G108 WeakPolarHBondContact O-CA 3.16Å; K104-G108 PolarHBondContact O-N 2.77Å; L105-G108 PolarHBondContact O-N 2.81Å; A106-G108 PolarHBondContact O-N 2.82Å; G108-L111 PolarHBondContact O-N 2.66Å; G108-Q112 VanDerWaalsContact O-CG 3.3Å; G108-Q112 WeakPolarHBondContact O-CG 3.31Å; G108-Q112 PolarHBondContact O-N 2.87Å
109S98.9Very high98.8Very high0 Ų014.6 Ų14.60%08%0.075CC..Hα-helixtrans-65.5-44.2169.9-64.50000111.4I6 P52 L105 A106 A107 L111 Q112 L113I6-S109 WeakPolarHBondContact CD1-O 3.28Å; I6-S109 WeakPolarHBondContact CG2-OG 3.47Å; P52-S109 VanDerWaalsContact CB-OG 3.32Å; P52-S109 WeakPolarHBondContact CB-OG 3.42Å; L105-S109 VanDerWaalsContact O-CB 3.23Å; L105-S109 WeakPolarHBondContact O-CB 3.41Å; L105-S109 PolarHBondContact O-N 3.47Å; L105-S109 PolarHBondContact O-OG 3.43Å; A106-S109 WeakPolarHBondContact O-CB 3.23Å; A106-S109 PolarHBondContact O-N 2.92Å; A107-S109 VanDerWaalsContact C-N 3.29Å; A107-S109 PolarHBondContact O-N 2.88Å; S109-L111 VanDerWaalsContact C-N 3.27Å; S109-L111 PolarHBondContact O-N 2.73Å; S109-Q112 PolarHBondContact O-N 3.06Å; S109-L113 PolarHBondContact O-N 3.18Å
110A98.9Very high98.7Very high1 Ų116.1 Ų16.11%0.0089%0.091CC..Hα-helixtrans-59.3-39.8172.900000111.5A106 A107 L113 V114 N149 A153 V300A106-A110 PolarHBondContact O-N 2.82Å; A107-A110 WeakPolarHBondContact O-CB 3.48Å; A107-A110 PolarHBondContact O-N 2.82Å; A110-L113 WeakPolarHBondContact O-CB 3.32Å; A110-L113 PolarHBondContact O-N 2.85Å; A110-V114 WeakPolarHBondContact O-CG2 3.32Å; A110-V114 PolarHBondContact O-N 2.96Å; A110-N149 HydrophobicContact CB-CB 4.46Å; A110-A153 HydrophobicContact CB-CB 4.1Å; A110-V300 HydrophobicContact CB-CG1 4.44Å; A110-V300 HydrophobicContact CB-CG2 4.01Å
111L98.9Very high98.7Very high0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-67.1-40176.5-59.2-170.9000113.5R53 E59 A107 G108 S109 L113 V114 D115 I152 A153 Y156R53-L111 VanDerWaalsContact NH2-CD1 3.32Å; E59-L111 HydrophobicContact CB-CD1 3.92Å; E59-L111 HydrophobicContact CG-CD1 4.02Å; E59-L111 WeakPolarHBondContact OE2-CD1 3.2Å; A107-L111 WeakPolarHBondContact O-CG 3.27Å; A107-L111 PolarHBondContact O-N 2.99Å; A107-L111 VanDerWaalsContact O-N 3.11Å; G108-L111 PolarHBondContact O-N 2.66Å; S109-L111 VanDerWaalsContact C-N 3.27Å; S109-L111 PolarHBondContact O-N 2.73Å; L111-L113 VanDerWaalsContact C-N 3.29Å; L111-L113 PolarHBondContact O-N 2.79Å; L111-V114 PolarHBondContact O-N 2.8Å; L111-D115 WeakPolarHBondContact O-CB 3.36Å; L111-D115 PolarHBondContact O-N 3.3Å; L111-I152 HydrophobicContact CD1-CG2 4.32Å; L111-I152 HydrophobicContact CD2-CG2 3.99Å; L111-I152 HydrophobicContact CG-CG2 4.45Å; L111-A153 HydrophobicContact CD2-CB 4.25Å; L111-Y156 HydrophobicContact CB-CD1 4.39Å; L111-Y156 HydrophobicContact CB-CE1 4.14Å; L111-Y156 HydrophobicContact CD1-CD2 4.09Å; L111-Y156 HydrophobicContact CD1-CE2 4.18Å; L111-Y156 HydrophobicContact CD1-CG 4.35Å; L111-Y156 HydrophobicContact CD2-CD1 3.66Å; L111-Y156 HydrophobicContact CD2-CD2 4.12Å; L111-Y156 HydrophobicContact CD2-CE1 4.25Å; L111-Y156 HydrophobicContact CD2-CG 3.53Å; L111-Y156 HydrophobicContact CG-CD1 4.47Å; L111-Y156 HydrophobicContact CG-CG 4.4Å
112Q98.9Very high98.6Very high43 Ų4319.9 Ų19.920%0.20111%0.107CC..Hα-helixtrans-63.4-36.6174.9-77.3-80.798.700111.8I6 V50 P51 R53 G108 S109 S116I6-Q112 HydrophobicContact CD1-CB 3.76Å; V50-Q112 HydrophobicContact CG1-CB 4.08Å; P51-Q112 PolarHBondContact O-NE2 3.13Å; R53-Q112 HydrophobicContact CB-CG 4.45Å; R53-Q112 HydrophobicContact CG-CG 3.73Å; G108-Q112 VanDerWaalsContact O-CG 3.3Å; G108-Q112 WeakPolarHBondContact O-CG 3.31Å; G108-Q112 PolarHBondContact O-N 2.87Å; S109-Q112 PolarHBondContact O-N 3.06Å; Q112-S116 WeakPolarHBondContact O-CB 3.27Å; Q112-S116 PolarHBondContact O-N 2.93Å; Q112-S116 PolarHBondContact O-OG 3.08Å
113L98.9Very high98.6Very high0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-65.7-48.4174.9-178.454.1000111A4 I6 S109 A110 L111 D115 S116 V117 A127 C298A4-L113 HydrophobicContact CB-CD1 3.86Å; I6-L113 HydrophobicContact CD1-CB 3.77Å; S109-L113 PolarHBondContact O-N 3.18Å; A110-L113 WeakPolarHBondContact O-CB 3.32Å; A110-L113 PolarHBondContact O-N 2.85Å; L111-L113 VanDerWaalsContact C-N 3.29Å; L111-L113 PolarHBondContact O-N 2.79Å; L113-D115 PolarHBondContact O-N 3.01Å; L113-S116 PolarHBondContact O-N 3.29Å; L113-S116 VanDerWaalsContact O-N 3.16Å; L113-V117 HydrophobicContact CD1-CG2 4.16Å; L113-V117 WeakPolarHBondContact O-CG2 3.34Å; L113-V117 PolarHBondContact O-N 3.17Å; L113-A127 HydrophobicContact CD2-CB 4.13Å; L113-C298 HydrophobicContact CD2-CB 3.61Å; L113-C298 HydrophobicContact CG-CB 3.69Å
114V98.9Very high98.6Very high0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-57.2-48.5174.4168.60000111.4A110 L111 S116 V117 M118 A153 Y156 A157 L257 L259A110-V114 WeakPolarHBondContact O-CG2 3.32Å; A110-V114 PolarHBondContact O-N 2.96Å; L111-V114 PolarHBondContact O-N 2.8Å; V114-S116 VanDerWaalsContact C-N 3.28Å; V114-S116 PolarHBondContact O-N 2.84Å; V114-V117 PolarHBondContact O-N 3.44Å; V114-M118 HydrophobicContact CG1-CG 3.94Å; V114-M118 VanDerWaalsContact O-CB 3.27Å; V114-M118 WeakPolarHBondContact O-CB 2.84Å; V114-M118 VanDerWaalsContact O-CG 3.32Å; V114-M118 WeakPolarHBondContact O-CG 3.37Å; V114-M118 PolarHBondContact O-N 3.42Å; V114-A153 HydrophobicContact CG2-CB 3.98Å; V114-Y156 HydrophobicContact CG1-CD1 4.09Å; V114-Y156 HydrophobicContact CG1-CE1 4.44Å; V114-A157 HydrophobicContact CG1-CB 3.76Å; V114-L257 HydrophobicContact CG1-CD2 4.45Å; V114-L257 HydrophobicContact CG2-CD2 4.37Å; V114-L259 HydrophobicContact CG2-CD2 4.05Å
115D98.9Very high98.6Very high17 Ų1720.7 Ų20.79%0.09111%0.109CC..Hα-helixtrans-56.3-44176.8-83.7-34.4000111.3L111 L113 T119 Y156 K160 H161L111-D115 WeakPolarHBondContact O-CB 3.36Å; L111-D115 PolarHBondContact O-N 3.3Å; L113-D115 PolarHBondContact O-N 3.01Å; D115-T119 VanDerWaalsContact O-CB 3.32Å; D115-T119 WeakPolarHBondContact O-CB 3.28Å; D115-T119 VanDerWaalsContact O-CG2 3.23Å; D115-T119 WeakPolarHBondContact O-CG2 3.14Å; D115-T119 PolarHBondContact O-N 3.14Å; D115-T119 VanDerWaalsContact O-N 3.16Å; D115-T119 PolarHBondContact O-OG1 3.04Å; D115-Y156 VanDerWaalsContact CG-OH 3.29Å; D115-Y156 WeakPolarHBondContact OD1-CE1 3.32Å; D115-Y156 PolarHBondContact OD1-OH 3.31Å; D115-Y156 PolarHBondContact OD2-OH 3.04Å; D115-K160 IonicContact OD1-NZ 3.03Å; D115-K160 PolarHBondContact OD1-NZ 2.84Å; D115-K160 IonicContact OD2-NZ 3.88Å; D115-K160 PolarHBondContact OD2-NZ 3.47Å; D115-K160 VanDerWaalsContact OD2-NZ 3.08Å; D115-H161 IonicContact OD1-CD2 3.89Å; D115-H161 IonicContact OD1-CE1 3.65Å; D115-H161 PolarHBondContact OD1-CE1 2.95Å; D115-H161 IonicContact OD1-NE2 3.06Å; D115-H161 PolarHBondContact OD1-NE2 3.35Å
116S98.8Very high98.6Very high9 Ų920.1 Ų20.16%0.06311%0.106CC..Hα-helixtrans-68.5-39.1-176.9-58.40000112.6Q112 L113 V114 K121 V122Q112-S116 WeakPolarHBondContact O-CB 3.27Å; Q112-S116 PolarHBondContact O-N 2.93Å; Q112-S116 PolarHBondContact O-OG 3.08Å; L113-S116 PolarHBondContact O-N 3.29Å; L113-S116 VanDerWaalsContact O-N 3.16Å; V114-S116 VanDerWaalsContact C-N 3.28Å; V114-S116 PolarHBondContact O-N 2.84Å; S116-K121 WeakPolarHBondContact O-CB 3.48Å; S116-K121 PolarHBondContact O-N 3.48Å; S116-V122 PolarHBondContact O-N 2.79Å
117V98.8Very high98.6Very high1 Ų120.1 Ų20.11%0.00611%0.106CC..Hα-helixtrans-75.5-49.7178.6169.90000111.5L113 V114 T119 G120 V122 L257 K296L113-V117 HydrophobicContact CD1-CG2 4.16Å; L113-V117 WeakPolarHBondContact O-CG2 3.34Å; L113-V117 PolarHBondContact O-N 3.17Å; V114-V117 PolarHBondContact O-N 3.44Å; V117-T119 VanDerWaalsContact C-N 3.28Å; V117-T119 PolarHBondContact O-N 3.48Å; V117-G120 PolarHBondContact O-N 3.02Å; V117-V122 HydrophobicContact CG2-CG2 3.82Å; V117-L257 HydrophobicContact CG1-CD1 4.27Å; V117-K296 HydrophobicContact CG1-CB 3.53Å; V117-K296 HydrophobicContact CG1-CD 4.28Å; V117-K296 HydrophobicContact CG1-CG 3.82Å
118M98.5Very high98.6Very high39 Ų3920.1 Ų20.119%0.19211%0.106CC..Hα-helixtrans-67.9-27.3-175.5-67.9-60.4-68.700112.9V114 G120 H161 A163 L257 K296V114-M118 HydrophobicContact CG1-CG 3.94Å; V114-M118 VanDerWaalsContact O-CB 3.27Å; V114-M118 WeakPolarHBondContact O-CB 2.84Å; V114-M118 VanDerWaalsContact O-CG 3.32Å; V114-M118 WeakPolarHBondContact O-CG 3.37Å; V114-M118 PolarHBondContact O-N 3.42Å; M118-G120 VanDerWaalsContact C-N 3.33Å; M118-H161 HydrophobicContact CB-CB 3.96Å; M118-H161 HydrophobicContact CE-CB 3.89Å; M118-H161 HydrophobicContact CG-CB 4.17Å; M118-A163 HydrophobicContact CE-CB 4.07Å; M118-L257 HydrophobicContact CG-CD2 4.48Å; M118-L257 HydrophobicContact SD-CB 4.11Å; M118-L257 HydrophobicContact SD-CD1 4.01Å; M118-L257 HydrophobicContact SD-CD2 4.19Å; M118-L257 HydrophobicContact SD-CG 4.34Å; M118-K296 HydrophobicContact SD-CD 4.18Å
119T97.9Very high98.6Very high75 Ų7520.1 Ų20.146%0.4611%0.106SC..THydrogen-bonded Turntrans-86.7-0.3173.662.50000113.9D115 V117 K121D115-T119 VanDerWaalsContact O-CB 3.32Å; D115-T119 WeakPolarHBondContact O-CB 3.28Å; D115-T119 VanDerWaalsContact O-CG2 3.23Å; D115-T119 WeakPolarHBondContact O-CG2 3.14Å; D115-T119 PolarHBondContact O-N 3.14Å; D115-T119 VanDerWaalsContact O-N 3.16Å; D115-T119 PolarHBondContact O-OG1 3.04Å; V117-T119 VanDerWaalsContact C-N 3.28Å; V117-T119 PolarHBondContact O-N 3.48Å; T119-K121 VanDerWaalsContact C-N 3.28Å; T119-K121 PolarHBondContact O-N 3.4Å; T119-K121 WeakPolarHBondContact OG1-CG 3.17Å
120G96.7Very high98.6Very high33 Ų3320.1 Ų20.134%0.3411%0.106SC..THydrogen-bonded Turntrans7213.5178.700000115.1V117 M118 V122V117-G120 PolarHBondContact O-N 3.02Å; M118-G120 VanDerWaalsContact C-N 3.33Å; G120-V122 VanDerWaalsContact C-N 3.29Å
121K97.5Very high98.6Very high156 Ų15620.1 Ų20.168%0.67811%0.106SC*.SBendtrans-64-38.7174.1-69176.1-177175.60111.2S116 T119S116-K121 WeakPolarHBondContact O-CB 3.48Å; S116-K121 PolarHBondContact O-N 3.48Å; T119-K121 VanDerWaalsContact C-N 3.28Å; T119-K121 PolarHBondContact O-N 3.4Å; T119-K121 WeakPolarHBondContact OG1-CG 3.17Å
122V98.4Very high98.6Very high3 Ų320.3 Ų20.32%0.01811%0.107CC..EExtended strand (participates in β ladder)trans-128.7161.3171.7-63.90000108.9G2 A4 V48 S116 V117 G120 N124G2-V122 WeakPolarHBondContact O-CA 3.27Å; G2-V122 VanDerWaalsContact O-CB 3.32Å; G2-V122 WeakPolarHBondContact O-CB 3.37Å; A4-V122 HydrophobicContact CB-CB 4.33Å; A4-V122 HydrophobicContact CB-CG1 4.08Å; A4-V122 HydrophobicContact CB-CG2 3.81Å; V48-V122 HydrophobicContact CB-CG1 4.02Å; V48-V122 HydrophobicContact CG1-CG1 4.3Å; V48-V122 HydrophobicContact CG2-CG1 4.06Å; S116-V122 PolarHBondContact O-N 2.79Å; V117-V122 HydrophobicContact CG2-CG2 3.82Å; G120-V122 VanDerWaalsContact C-N 3.29Å; V122-N124 WeakPolarHBondContact CG2-O 3.39Å
123R97.8Very high98.6Very high45 Ų4518.2 Ų18.217%0.1710%0.098CC..EExtended strand (participates in β ladder)trans-76.6-45.7176-179-175.7-65.3176.4-6.6111M1 G2 G632M1-R123 HydrophobicContact CB-CB 4.1Å; G2-R123 PolarHBondContact O-N 3.46Å; R123-G632 PolarHBondContact NH1-O 2.85Å; R123-G632 PolarHBondContact NH2-O 3.13Å
124N98.9Very high98.6Very high0 Ų018.3 Ų18.30%010%0.098CC..EExtended strand (participates in β ladder)trans-154.1-178.5-171.656.227.6000109.1T3 A4 V122 L297 L321T3-N124 CarbonylContact C-O 3.51Å; T3-N124 WeakPolarHBondContact CA-O 3.36Å; T3-N124 WeakPolarHBondContact CB-OD1 3.34Å; T3-N124 WeakPolarHBondContact CG2-OD1 3.49Å; T3-N124 PolarHBondContact OG1-OD1 3.47Å; A4-N124 PolarHBondContact N-O 3.04Å; V122-N124 WeakPolarHBondContact CG2-O 3.39Å; N124-L297 CarbonylContact C-O 3.59Å; N124-L297 WeakPolarHBondContact CA-O 3.16Å; N124-L297 HydrophobicContact CB-CB 4.29Å; N124-L297 VanDerWaalsContact CB-O 3.3Å; N124-L297 WeakPolarHBondContact CB-O 3.47Å; N124-L321 HydrophobicContact CB-CD2 4.06Å; N124-L321 PolarHBondContact ND2-O 2.92Å; N124-L321 PolarHBondContact OD1-O 2.84Å
125G98.9Very high98.6Very high0 Ų018.5 Ų18.50%010%0.099CC..EExtended strand (participates in β ladder)trans177.7-180169.900000114.4A4 L297 A299A4-G125 CarbonylContact O-C 3.46Å; A4-G125 WeakPolarHBondContact O-CA 3.36Å; G125-L297 PolarHBondContact N-O 3.32Å; G125-L297 VanDerWaalsContact N-O 3.07Å; G125-A299 PolarHBondContact O-N 3.14Å
126M98.9Very high98.5Very high1 Ų117.7 Ų17.71%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-131.2136.8178.4-170.8172.9-172.600110.9A4 L5 I6 L128 F264 A299 V314 T317 V318 L321A4-M126 PolarHBondContact O-N 3.47Å; L5-M126 WeakPolarHBondContact CA-O 3.33Å; I6-M126 PolarHBondContact N-O 3.46Å; M126-L128 HydrophobicContact CE-CD2 3.75Å; M126-L128 HydrophobicContact CG-CD2 4.36Å; M126-L128 HydrophobicContact SD-CD2 4.11Å; M126-F264 HydrophobicContact CE-CE2 3.63Å; M126-F264 HydrophobicContact CE-CZ 3.81Å; M126-A299 CarbonylContact C-O 3.41Å; M126-A299 VanDerWaalsContact CA-O 3.24Å; M126-A299 WeakPolarHBondContact CA-O 3.38Å; M126-A299 HydrophobicContact CB-CB 4.34Å; M126-A299 HydrophobicContact CG-CB 4.09Å; M126-V314 HydrophobicContact CE-CG1 4.26Å; M126-V314 HydrophobicContact CE-CG2 4.03Å; M126-V314 HydrophobicContact SD-CG1 4.25Å; M126-T317 HydrophobicContact SD-CG2 4.21Å; M126-V318 HydrophobicContact CB-CG2 4.29Å; M126-V318 HydrophobicContact SD-CG2 3.62Å; M126-L321 HydrophobicContact CB-CD1 4.16Å
127A98.9Very high98.5Very high0 Ų019.9 Ų19.90%010%0.104CC..EExtended strand (participates in β ladder)trans-107.5114.7170.500000109.4I6 L113 V129 A299 L301I6-A127 HydrophobicContact CB-CB 4.23Å; L113-A127 HydrophobicContact CD2-CB 4.13Å; A127-V129 HydrophobicContact CB-CG1 3.91Å; A127-V129 PolarHBondContact O-N 2.87Å; A127-A299 PolarHBondContact N-O 2.96Å; A127-L301 PolarHBondContact O-N 2.99Å
128L98.9Very high98.5Very high0 Ų027.5 Ų27.50%013%0.133CC..  trans-85.9100.2171.4-62.4-177.3000108L5 I6 Y7 M11 L31 Y35 L38 M126 L301 V314L5-L128 HydrophobicContact CD1-CD1 4.27Å; L5-L128 HydrophobicContact CD1-CG 4.25Å; I6-L128 PolarHBondContact O-N 2.89Å; Y7-L128 HydrophobicContact CD2-CB 4.18Å; Y7-L128 HydrophobicContact CD2-CD1 4.48Å; M11-L128 WeakPolarHBondContact CE-O 3.29Å; L31-L128 HydrophobicContact CD2-CB 3.68Å; Y35-L128 HydrophobicContact CD2-CD1 4.31Å; L38-L128 HydrophobicContact CD1-CD1 3.78Å; M126-L128 HydrophobicContact CE-CD2 3.75Å; M126-L128 HydrophobicContact CG-CD2 4.36Å; M126-L128 HydrophobicContact SD-CD2 4.11Å; L128-L301 HydrophobicContact CD2-CB 4.48Å; L128-L301 HydrophobicContact CD2-CD2 4.23Å; L128-V314 HydrophobicContact CD2-CG1 3.95Å; L128-V314 HydrophobicContact CD2-CG2 4.4Å
129V98.9Very high98.5Very high0 Ų028.5 Ų28.50%014%0.144CC..  trans-125.9152.5-172.3-60.10000112.4M11 A106 A127 V300 L301M11-V129 HydrophobicContact CE-CG1 4.23Å; M11-V129 HydrophobicContact SD-CB 3.94Å; M11-V129 HydrophobicContact SD-CG1 4.03Å; A106-V129 HydrophobicContact CB-CB 3.81Å; A106-V129 HydrophobicContact CB-CG1 4.36Å; A106-V129 HydrophobicContact CB-CG2 4.32Å; A127-V129 HydrophobicContact CB-CG1 3.91Å; A127-V129 PolarHBondContact O-N 2.87Å; V129-V300 HydrophobicContact CG2-CG1 3.67Å; V129-L301 WeakPolarHBondContact CG2-O 3.43Å
130R98.8Very high98.5Very high0 Ų026 Ų260%013%0.13CC..SBendtrans-148135.9166.8-80.8175.870.8-101.90.6108.6M11 Y14 E26 V27 L31M11-R130 WeakPolarHBondContact CB-O 3.27Å; M11-R130 WeakPolarHBondContact CG-O 3.45Å; M11-R130 PolarHBondContact O-NH1 3.17Å; Y14-R130 HydrophobicContact CE1-CB 3.88Å; Y14-R130 VanDerWaalsContact CE1-NH1 3.34Å; Y14-R130 WeakPolarHBondContact OH-CB 3.28Å; Y14-R130 PolarHBondContact OH-NH2 3.13Å; E26-R130 IonicContact OE1-CZ 3.75Å; E26-R130 IonicContact OE1-NE 3.94Å; E26-R130 PolarHBondContact OE1-NE 2.84Å; E26-R130 IonicContact OE1-NH2 2.75Å; E26-R130 PolarHBondContact OE1-NH2 3.21Å; E26-R130 IonicContact OE2-CZ 3.24Å; E26-R130 IonicContact OE2-NE 2.85Å; E26-R130 IonicContact OE2-NH2 2.83Å; E26-R130 PolarHBondContact OE2-NH2 2.75Å; V27-R130 VanDerWaalsContact C-NH2 3.34Å; V27-R130 PolarHBondContact O-NE 2.8Å; L31-R130 HydrophobicContact CD1-CB 3.56Å; L31-R130 HydrophobicContact CD1-CG 3.64Å; L31-R130 HydrophobicContact CD2-CG 4.38Å; L31-R130 HydrophobicContact CG-CB 4.12Å; L31-R130 VanDerWaalsContact CG-CD 3.4Å; L31-R130 HydrophobicContact CG-CG 3.59Å
131P98.8Very high98.6Very high1 Ų124.4 Ų24.41%0.00612%0.115CC..SBendcis-71161.53.229.4-36.5000115Y14 I99 A103 V146 N149Y14-P131 WeakPolarHBondContact OH-CA 3.28Å; Y14-P131 WeakPolarHBondContact OH-CB 3.32Å; I99-P131 HydrophobicContact CG1-CG 4.35Å; A103-P131 HydrophobicContact CB-CG 3.81Å; P131-V146 HydrophobicContact CG-CB 4.26Å; P131-V146 HydrophobicContact CG-CG2 4.12Å; P131-N149 PolarHBondContact O-ND2 2.84Å
132P98.8Very high98.6Very high3 Ų317.5 Ų17.52%0.0199%0.086CC..  trans-64.1175.9167.630.7-35.4000111.3F144 C145 E302P132-F144 HydrophobicContact CG-CB 3.96Å; P132-C145 VanDerWaalsContact O-CA 3.32Å; P132-C145 WeakPolarHBondContact O-CA 3.33Å; P132-C145 WeakPolarHBondContact O-CB 3.31Å; P132-E302 VanDerWaalsContact CB-OE2 3.28Å; P132-E302 WeakPolarHBondContact CB-OE2 3.15Å
133G98.8Very high98.5Very high0 Ų017.5 Ų17.50%09%0.086CC..  trans-134.3-33.3-171.800000117.4H135 S136 C145 F147 N148 E302G133-H135 VanDerWaalsContact C-N 3.25Å; G133-H135 PolarHBondContact O-N 3.19Å; G133-S136 VanDerWaalsContact O-CB 3.3Å; G133-S136 WeakPolarHBondContact O-CB 3.46Å; G133-S136 PolarHBondContact O-N 2.8Å; G133-C145 PolarHBondContact N-SG 3.48Å; G133-F147 VanDerWaalsContact CA-O 3.23Å; G133-F147 WeakPolarHBondContact CA-O 3.43Å; G133-N148 VanDerWaalsContact O-CA 3.29Å; G133-N148 WeakPolarHBondContact O-CA 3.19Å; G133-N148 VanDerWaalsContact O-CG 3.31Å; G133-N148 PolarHBondContact O-ND2 2.98Å; G133-E302 PolarHBondContact N-OE2 2.96Å
134H98.8Very high98.6Very high2 Ų216.3 Ų16.31%0.0098%0.082CC..THydrogen-bonded Turntrans-61.7-22.4-16272152.9000116.4N148 D170 D172 G176 G178 V179 E302H134-N148 PolarHBondContact O-ND2 2.92Å; H134-D170 IonicContact CE1-OD2 2.69Å; H134-D170 IonicContact CG-OD2 2.68Å; H134-D170 IonicContact ND1-OD1 3.76Å; H134-D170 IonicContact ND1-OD2 2.68Å; H134-D170 PolarHBondContact ND1-OD2 2.95Å; H134-D172 VanDerWaalsContact CE1-CB 3.45Å; H134-D172 WeakPolarHBondContact CE1-CB 3.5Å; H134-D172 IonicContact CE1-OD1 3.57Å; H134-D172 PolarHBondContact CE1-OD1 3.14Å; H134-D172 IonicContact CE1-OD2 2.94Å; H134-D172 IonicContact NE2-OD1 2.75Å; H134-D172 IonicContact NE2-OD2 2.73Å; H134-G176 CarbonylContact O-C 3.58Å; H134-G178 WeakPolarHBondContact O-CA 3.2Å; H134-G178 PolarHBondContact O-N 3.07Å; H134-V179 HydrophobicContact CB-CG2 3.91Å; H134-V179 PolarHBondContact O-N 2.93Å; H134-E302 IonicContact CD2-OE2 2.86Å; H134-E302 IonicContact CG-OE2 3.7Å; H134-E302 PolarHBondContact N-OE2 3.3Å; H134-E302 VanDerWaalsContact N-OE2 3.09Å
135H98.8Very high98.5Very high3 Ų316.3 Ų16.31%0.0148%0.082CC..THydrogen-bonded Turntrans-84-20.7174.6-60.9-48.7000114.5G133 M137 S142 G143 C145 H174 H175 Q177 W203G133-H135 VanDerWaalsContact C-N 3.25Å; G133-H135 PolarHBondContact O-N 3.19Å; H135-M137 PolarHBondContact O-N 2.99Å; H135-S142 VanDerWaalsContact CB-O 3.27Å; H135-S142 WeakPolarHBondContact CB-O 3.3Å; H135-G143 PolarHBondContact CD2-O 2.82Å; H135-C145 HydrophobicContact CB-CB 4.14Å; H135-H174 WeakPolarHBondContact CE1-CB 3.08Å; H135-H174 WeakPolarHBondContact NE2-CB 3.34Å; H135-H175 PolarHBondContact CE1-O 3.5Å; H135-H175 PolarHBondContact ND1-O 3.41Å; H135-Q177 PolarHBondContact ND1-OE1 2.49Å; H135-W203 HydrophobicContact CB-CH2 4.36Å; H135-W203 AromaticContact CD2-CH2 3.58Å; H135-W203 AromaticContact CD2-CZ3 3.8Å; H135-W203 AromaticContact CE1-CH2 3.79Å; H135-W203 AromaticContact CE1-CZ3 3.37Å; H135-W203 WeakPolarHBondContact CE1-CZ3 3.17Å; H135-W203 AromaticContact CG-CH2 3.66Å; H135-W203 AromaticContact ND1-CH2 3.77Å; H135-W203 AromaticContact ND1-CZ3 3.79Å; H135-W203 AromaticContact NE2-CH2 3.61Å; H135-W203 AromaticContact NE2-CZ3 3.29Å; H135-W203 VanDerWaalsContact NE2-CZ3 3.29Å; H135-W203 WeakPolarHBondContact NE2-CZ3 3.36Å
136S98.6Very high98.5Very high0 Ų016.3 Ų16.30%08%0.082CC..  trans-63.7126.4-175173.60000110.5H64 G133 V146 F147 N148 G178H64-S136 PolarHBondContact CE1-OG 2.92Å; G133-S136 VanDerWaalsContact O-CB 3.3Å; G133-S136 WeakPolarHBondContact O-CB 3.46Å; G133-S136 PolarHBondContact O-N 2.8Å; S136-V146 VanDerWaalsContact OG-C 3.31Å; S136-V146 PolarHBondContact OG-O 3.41Å; S136-F147 WeakPolarHBondContact OG-CA 3.16Å; S136-N148 WeakPolarHBondContact O-CB 3.24Å; S136-N148 PolarHBondContact O-ND2 2.94Å; S136-N148 PolarHBondContact OG-N 2.79Å; S136-G178 WeakPolarHBondContact O-CA 3.41Å
137M98.3Very high98.5Very high55 Ų5516.2 Ų16.227%0.2718%0.082SC..BIsolated β-bridgetrans-100.4167.2-176.9-63.7-180-87.200110.7H64 H135 S139 A140 Y181H64-M137 PolarHBondContact CE1-O 2.91Å; H64-M137 PolarHBondContact ND1-O 3.44Å; H64-M137 VanDerWaalsContact ND1-O 3.16Å; H135-M137 PolarHBondContact O-N 2.99Å; M137-S139 PolarHBondContact O-N 3.01Å; M137-A140 HydrophobicContact CB-CB 4.42Å; M137-A140 HydrophobicContact CE-CB 3.89Å; M137-A140 PolarHBondContact N-O 3.18Å; M137-A140 PolarHBondContact O-N 2.97Å; M137-Y181 HydrophobicContact CG-CD2 4.1Å; M137-Y181 HydrophobicContact CG-CE2 4.41Å; M137-Y181 HydrophobicContact SD-CD2 4.08Å; M137-Y181 HydrophobicContact SD-CE2 3.9Å
138R98.5Very high98.5Very high161 Ų16116.2 Ų16.261%0.6088%0.082SC*.THydrogen-bonded Turntrans-46.6-38.2-179.3179.1173.8-171.1-79-3.6114.1V63 H64 S65V63-R138 WeakPolarHBondContact O-CG 3.46Å; H64-R138 CarbonylContact C-O 3.58Å; H64-R138 VanDerWaalsContact CA-O 3.28Å; H64-R138 WeakPolarHBondContact CA-O 3.44Å; S65-R138 PolarHBondContact N-O 2.98Å; S65-R138 PolarHBondContact OG-O 3.49Å
139S98.3Very high98.5Very high60 Ų6016.3 Ų16.342%0.428%0.082SC..THydrogen-bonded Turntrans-132.920.7-174.8-57.60000113.5S65 M137S65-S139 VanDerWaalsContact CB-OG 3.25Å; S65-S139 WeakPolarHBondContact CB-OG 3.36Å; S65-S139 WeakPolarHBondContact OG-CB 3.34Å; S65-S139 PolarHBondContact OG-OG 2.92Å; M137-S139 PolarHBondContact O-N 3.01Å
140A98.2Very high98.5Very high22 Ų2216.3 Ų16.318%0.1828%0.082CC..BIsolated β-bridgetrans-155136.9-177.600000112.9Y90 M137Y90-A140 HydrophobicContact CD1-CB 3.88Å; Y90-A140 HydrophobicContact CE1-CB 3.98Å; M137-A140 HydrophobicContact CB-CB 4.42Å; M137-A140 HydrophobicContact CE-CB 3.89Å; M137-A140 PolarHBondContact N-O 3.18Å; M137-A140 PolarHBondContact O-N 2.97Å
141A98.2Very high98.5Very high1 Ų116.3 Ų16.31%0.0088%0.082CC..  trans-70.3151.5161.600000109.9Y68 Y90 V93 F95 C145Y68-A141 HydrophobicContact CE2-CB 4.46Å; Y68-A141 WeakPolarHBondContact OH-CA 3.43Å; Y68-A141 WeakPolarHBondContact OH-CB 3.42Å; Y68-A141 PolarHBondContact OH-N 3Å; Y90-A141 WeakPolarHBondContact CB-O 3.29Å; Y90-A141 HydrophobicContact CD1-CB 4.16Å; Y90-A141 HydrophobicContact CD2-CB 4.33Å; Y90-A141 HydrophobicContact CG-CB 3.99Å; V93-A141 HydrophobicContact CB-CB 4.45Å; V93-A141 HydrophobicContact CG1-CB 3.91Å; V93-A141 HydrophobicContact CG2-CB 4.11Å; F95-A141 HydrophobicContact CE2-CB 3.98Å; F95-A141 HydrophobicContact CZ-CB 3.76Å; A141-C145 WeakPolarHBondContact CA-O 3.42Å; A141-C145 WeakPolarHBondContact CB-O 3.44Å
142S97.9Very high98.5Very high10 Ų1016.2 Ų16.27%0.078%0.082CC..BIsolated β-bridgetrans-164.4146.3176.5-171.70000110.2G91 H135 F144 C145 Q177G91-S142 CarbonylContact O-C 3.47Å; G91-S142 VanDerWaalsContact O-CA 3.31Å; G91-S142 WeakPolarHBondContact O-CA 3.47Å; H135-S142 VanDerWaalsContact CB-O 3.27Å; H135-S142 WeakPolarHBondContact CB-O 3.3Å; S142-F144 PolarHBondContact O-N 2.94Å; S142-C145 PolarHBondContact N-O 2.95Å; S142-C145 VanDerWaalsContact N-O 3.17Å; S142-C145 WeakPolarHBondContact O-CA 3.27Å; S142-C145 WeakPolarHBondContact O-CB 3.28Å; S142-C145 PolarHBondContact O-N 3.09Å; S142-Q177 PolarHBondContact OG-NE2 3.01Å
143G97.1Very high98.6Very high3 Ų316.1 Ų16.13%0.0318%0.082CC..THydrogen-bonded Turntrans53.653.6170.300000112.9G91 D92 H135 C145 W203G91-G143 PolarHBondContact O-N 2.96Å; D92-G143 CarbonylContact O-C 3.5Å; D92-G143 WeakPolarHBondContact O-CA 3.44Å; D92-G143 PolarHBondContact O-N 2.84Å; H135-G143 PolarHBondContact CD2-O 2.82Å; G143-C145 PolarHBondContact O-N 2.92Å; G143-C145 PolarHBondContact O-SG 3.14Å; G143-W203 VanDerWaalsContact CA-CH2 3.5Å
144F98.3Very high98.6Very high20 Ų2016.1 Ų16.19%0.0888%0.082CC..THydrogen-bonded Turntrans63.9-5-175.1-35-45.8000116.2C23 I25 E26 D92 P132 S142 Y305C23-F144 HydrophobicContact CB-CE1 4.19Å; I25-F144 HydrophobicContact CD1-CE2 4.21Å; I25-F144 HydrophobicContact CD1-CZ 4.11Å; I25-F144 HydrophobicContact CG1-CE2 4.29Å; I25-F144 HydrophobicContact CG1-CZ 4.05Å; E26-F144 HydrophobicContact CB-CB 4.33Å; E26-F144 HydrophobicContact CB-CD1 4.17Å; E26-F144 HydrophobicContact CB-CD2 3.95Å; E26-F144 HydrophobicContact CB-CE2 4.32Å; E26-F144 HydrophobicContact CB-CG 3.87Å; E26-F144 HydrophobicContact CG-CB 3.79Å; E26-F144 HydrophobicContact CG-CD2 3.88Å; E26-F144 HydrophobicContact CG-CG 3.81Å; D92-F144 VanDerWaalsContact O-CD1 3.25Å; D92-F144 WeakPolarHBondContact O-CD1 3.31Å; D92-F144 WeakPolarHBondContact O-CE1 3.4Å; D92-F144 PolarHBondContact O-N 3.44Å; P132-F144 HydrophobicContact CG-CB 3.96Å; S142-F144 PolarHBondContact O-N 2.94Å; F144-Y305 HydrophobicContact CD2-CE1 4.22Å; F144-Y305 AromaticContact CE2-CE1 3.98Å; F144-Y305 HydrophobicContact CE2-CE1 3.98Å; F144-Y305 AromaticContact CE2-CZ 3.85Å; F144-Y305 WeakPolarHBondContact CE2-OH 3.16Å
145C98.8Very high98.6Very high0 Ų019.3 Ų19.30%09%0.093CC..BIsolated β-bridgetrans-91.8128.8-174.4-56.70000111.8P132 G133 H135 A141 S142 G143P132-C145 VanDerWaalsContact O-CA 3.32Å; P132-C145 WeakPolarHBondContact O-CA 3.33Å; P132-C145 WeakPolarHBondContact O-CB 3.31Å; G133-C145 PolarHBondContact N-SG 3.48Å; H135-C145 HydrophobicContact CB-CB 4.14Å; A141-C145 WeakPolarHBondContact CA-O 3.42Å; A141-C145 WeakPolarHBondContact CB-O 3.44Å; S142-C145 PolarHBondContact N-O 2.95Å; S142-C145 VanDerWaalsContact N-O 3.17Å; S142-C145 WeakPolarHBondContact O-CA 3.27Å; S142-C145 WeakPolarHBondContact O-CB 3.28Å; S142-C145 PolarHBondContact O-N 3.09Å; G143-C145 PolarHBondContact O-N 2.92Å; G143-C145 PolarHBondContact O-SG 3.14Å
146V98.8Very high98.6Very high0 Ų019.7 Ų19.70%010%0.095CC..SBendtrans-96.3-55.4176.5178.20000111.5Y68 V72 F95 I99 A103 P131 S136Y68-V146 WeakPolarHBondContact CE1-O 3.43Å; Y68-V146 PolarHBondContact OH-O 3.37Å; V72-V146 HydrophobicContact CG1-CG1 3.88Å; V72-V146 HydrophobicContact CG2-CG1 4.44Å; F95-V146 HydrophobicContact CE1-CG1 4.27Å; F95-V146 HydrophobicContact CE1-CG2 4.19Å; F95-V146 HydrophobicContact CZ-CG2 4.45Å; I99-V146 HydrophobicContact CD1-CG2 3.74Å; I99-V146 HydrophobicContact CG1-CG2 4.01Å; A103-V146 HydrophobicContact CB-CB 3.9Å; A103-V146 HydrophobicContact CB-CG1 3.89Å; P131-V146 HydrophobicContact CG-CB 4.26Å; P131-V146 HydrophobicContact CG-CG2 4.12Å; S136-V146 VanDerWaalsContact OG-C 3.31Å; S136-V146 PolarHBondContact OG-O 3.41Å
147F98.9Very high98.6Very high0 Ų019.7 Ų19.70%010%0.095CC..SBendtrans-122.3140.4174-62.3-46.4000109.7I60 H64 Y68 L69 V72 Y100 A103 G133 S136 N149 I152I60-F147 HydrophobicContact CD1-CD2 4.26Å; I60-F147 HydrophobicContact CD1-CE2 3.9Å; I60-F147 HydrophobicContact CD1-CZ 4.31Å; I60-F147 HydrophobicContact CG2-CD1 3.85Å; I60-F147 HydrophobicContact CG2-CD2 4.49Å; I60-F147 HydrophobicContact CG2-CE1 3.8Å; I60-F147 HydrophobicContact CG2-CE2 4.44Å; I60-F147 HydrophobicContact CG2-CG 4.23Å; I60-F147 HydrophobicContact CG2-CZ 4.12Å; H64-F147 AromaticContact CD2-CD1 3.85Å; Y68-F147 HydrophobicContact CD1-CE1 4.41Å; Y68-F147 AromaticContact CE1-CD1 3.98Å; Y68-F147 HydrophobicContact CE1-CD1 3.98Å; Y68-F147 AromaticContact CE1-CE1 3.91Å; Y68-F147 HydrophobicContact CE1-CE1 3.91Å; L69-F147 HydrophobicContact CD1-CE1 4.22Å; L69-F147 HydrophobicContact CD1-CZ 3.7Å; V72-F147 HydrophobicContact CB-CZ 4.36Å; V72-F147 HydrophobicContact CG1-CZ 4.05Å; Y100-F147 AromaticContact CD2-CE2 3.96Å; Y100-F147 HydrophobicContact CD2-CE2 3.96Å; Y100-F147 HydrophobicContact CD2-CZ 4.08Å; Y100-F147 AromaticContact CE2-CE2 3.96Å; Y100-F147 HydrophobicContact CE2-CE2 3.96Å; Y100-F147 AromaticContact CE2-CZ 4Å; Y100-F147 HydrophobicContact CE2-CZ 4Å; A103-F147 HydrophobicContact CB-CD2 3.76Å; A103-F147 HydrophobicContact CB-CE2 4.1Å; G133-F147 VanDerWaalsContact CA-O 3.23Å; G133-F147 WeakPolarHBondContact CA-O 3.43Å; S136-F147 WeakPolarHBondContact OG-CA 3.16Å; F147-N149 PolarHBondContact O-N 3.31Å; F147-N149 PolarHBondContact O-OD1 3.25Å; F147-I152 HydrophobicContact CB-CD1 4.1Å
148N98.9Very high98.6Very high0 Ų019.5 Ų19.50%09%0.093CC..  trans-73.188.9177.8-159.8-48.2000112.5V63 H64 G133 H134 S136 V150 A151 I152 G178 V179V63-N148 HydrophobicContact CG1-CB 4.32Å; H64-N148 PolarHBondContact NE2-N 3.4Å; H64-N148 VanDerWaalsContact NE2-N 3.11Å; G133-N148 VanDerWaalsContact O-CA 3.29Å; G133-N148 WeakPolarHBondContact O-CA 3.19Å; G133-N148 VanDerWaalsContact O-CG 3.31Å; G133-N148 PolarHBondContact O-ND2 2.98Å; H134-N148 PolarHBondContact O-ND2 2.92Å; S136-N148 WeakPolarHBondContact O-CB 3.24Å; S136-N148 PolarHBondContact O-ND2 2.94Å; S136-N148 PolarHBondContact OG-N 2.79Å; N148-V150 PolarHBondContact O-N 2.7Å; N148-A151 HydrophobicContact CB-CB 3.93Å; N148-A151 VanDerWaalsContact CG-CB 3.45Å; N148-A151 PolarHBondContact O-N 3.19Å; N148-A151 WeakPolarHBondContact OD1-CB 3.36Å; N148-A151 PolarHBondContact OD1-N 2.89Å; N148-I152 WeakPolarHBondContact O-CB 3.45Å; N148-I152 WeakPolarHBondContact O-CD1 3.34Å; N148-I152 VanDerWaalsContact O-CG1 3.24Å; N148-I152 WeakPolarHBondContact O-CG1 3.46Å; N148-I152 PolarHBondContact O-N 3.18Å; N148-G178 VanDerWaalsContact ND2-C 3.33Å; N148-V179 PolarHBondContact ND2-N 3.03Å
149N98.9Very high98.6Very high1 Ų118.6 Ų18.61%0.00510%0.095CC..Hα-helixtrans-52.4-49.8-176.6-59.5-37.4000112.3A107 A110 P131 F147 A153 V300A107-N149 WeakPolarHBondContact CA-OD1 3.44Å; A107-N149 PolarHBondContact N-OD1 3.03Å; A110-N149 HydrophobicContact CB-CB 4.46Å; P131-N149 PolarHBondContact O-ND2 2.84Å; F147-N149 PolarHBondContact O-N 3.31Å; F147-N149 PolarHBondContact O-OD1 3.25Å; N149-A153 WeakPolarHBondContact O-CB 3.38Å; N149-A153 PolarHBondContact O-N 3.29Å; N149-V300 HydrophobicContact CB-CG1 4.22Å
150V98.9Very high98.6Very high0 Ų021.3 Ų21.30%010%0.099CC..Hα-helixtrans-73.8-39.6-175.5177.60000111.8N148 A153 A154 I168 L259 V300N148-V150 PolarHBondContact O-N 2.7Å; V150-A153 WeakPolarHBondContact O-CB 3.47Å; V150-A153 PolarHBondContact O-N 3.02Å; V150-A154 PolarHBondContact O-N 3.33Å; V150-I168 HydrophobicContact CG1-CD1 4.15Å; V150-I168 HydrophobicContact CG1-CG1 4.21Å; V150-I168 HydrophobicContact CG1-CG2 3.77Å; V150-L259 HydrophobicContact CG1-CB 3.89Å; V150-L259 HydrophobicContact CG1-CD1 3.97Å; V150-V300 HydrophobicContact CG2-CB 3.93Å; V150-V300 HydrophobicContact CG2-CG1 4.35Å; V150-V300 HydrophobicContact CG2-CG2 4.18Å
151A98.9Very high98.6Very high0 Ų022.5 Ų22.50%010%0.101CC..Hα-helixtrans-65.2-40.3175.600000112.2V63 N148 A153 A154 R155 C182 F183V63-A151 HydrophobicContact CG1-CB 4.15Å; V63-A151 HydrophobicContact CG2-CB 3.96Å; N148-A151 HydrophobicContact CB-CB 3.93Å; N148-A151 VanDerWaalsContact CG-CB 3.45Å; N148-A151 PolarHBondContact O-N 3.19Å; N148-A151 WeakPolarHBondContact OD1-CB 3.36Å; N148-A151 PolarHBondContact OD1-N 2.89Å; A151-A153 VanDerWaalsContact C-N 3.33Å; A151-A154 PolarHBondContact O-N 3.18Å; A151-R155 WeakPolarHBondContact O-CG 3.42Å; A151-R155 PolarHBondContact O-N 2.98Å; A151-C182 HydrophobicContact CB-CB 4.2Å; A151-F183 HydrophobicContact CB-CE2 3.76Å; A151-F183 HydrophobicContact CB-CZ 3.99Å
152I98.9Very high98.6Very high0 Ų025 Ų250%013%0.127CC..Hα-helixtrans-61.5-44.9173.6-69.1165.1000109.6V63 A107 L111 F147 N148 A154 R155 Y156V63-I152 HydrophobicContact CB-CG1 3.97Å; V63-I152 HydrophobicContact CG2-CB 4.42Å; V63-I152 HydrophobicContact CG2-CG1 3.77Å; A107-I152 HydrophobicContact CB-CD1 4.23Å; L111-I152 HydrophobicContact CD1-CG2 4.32Å; L111-I152 HydrophobicContact CD2-CG2 3.99Å; L111-I152 HydrophobicContact CG-CG2 4.45Å; F147-I152 HydrophobicContact CB-CD1 4.1Å; N148-I152 WeakPolarHBondContact O-CB 3.45Å; N148-I152 WeakPolarHBondContact O-CD1 3.34Å; N148-I152 VanDerWaalsContact O-CG1 3.24Å; N148-I152 WeakPolarHBondContact O-CG1 3.46Å; N148-I152 PolarHBondContact O-N 3.18Å; I152-A154 PolarHBondContact O-N 3.25Å; I152-R155 PolarHBondContact O-N 2.78Å; I152-Y156 WeakPolarHBondContact O-CB 3.45Å; I152-Y156 PolarHBondContact O-N 2.88Å
153A98.9Very high98.6Very high1 Ų124.8 Ų24.81%0.00813%0.126CC..Hα-helixtrans-60.9-40.9177.100000113.2A110 L111 V114 N149 V150 A151 Y156 A157 L259A110-A153 HydrophobicContact CB-CB 4.1Å; L111-A153 HydrophobicContact CD2-CB 4.25Å; V114-A153 HydrophobicContact CG2-CB 3.98Å; N149-A153 WeakPolarHBondContact O-CB 3.38Å; N149-A153 PolarHBondContact O-N 3.29Å; V150-A153 WeakPolarHBondContact O-CB 3.47Å; V150-A153 PolarHBondContact O-N 3.02Å; A151-A153 VanDerWaalsContact C-N 3.33Å; A153-Y156 PolarHBondContact O-N 3.4Å; A153-A157 WeakPolarHBondContact O-CB 3.43Å; A153-A157 PolarHBondContact O-N 3.01Å; A153-L259 HydrophobicContact CB-CD1 4.17Å
154A98.9Very high98.6Very high0 Ų030.9 Ų30.90%015%0.153CC..Hα-helixtrans-62.9-54.5175.500000111.2V150 A151 I152 Y156 A157 K158 V166 I168 F183 L259V150-A154 PolarHBondContact O-N 3.33Å; A151-A154 PolarHBondContact O-N 3.18Å; I152-A154 PolarHBondContact O-N 3.25Å; A154-Y156 VanDerWaalsContact C-N 3.26Å; A154-Y156 PolarHBondContact O-N 3.18Å; A154-A157 PolarHBondContact O-N 3.32Å; A154-K158 WeakPolarHBondContact O-CG 3.2Å; A154-K158 PolarHBondContact O-N 3.37Å; A154-K158 VanDerWaalsContact O-N 3.09Å; A154-V166 HydrophobicContact CB-CG1 4.14Å; A154-I168 HydrophobicContact CB-CD1 4.08Å; A154-F183 HydrophobicContact CB-CE1 4.39Å; A154-F183 HydrophobicContact CB-CE2 4.35Å; A154-F183 HydrophobicContact CB-CZ 3.74Å; A154-L259 HydrophobicContact CB-CD1 3.76Å
155R98.8Very high98.6Very high68 Ų6833.3 Ų33.326%0.25716%0.162SC..Hα-helixtrans-57.4-40.2177.9-68.6-71.3-173.7-165.3-4111.8L62 V63 A151 I152 K158 Q159 C182 F183 D186L62-R155 HydrophobicContact CB-CB 3.93Å; L62-R155 HydrophobicContact CB-CG 4.44Å; L62-R155 HydrophobicContact CD1-CB 4.13Å; V63-R155 HydrophobicContact CG2-CG 4.01Å; A151-R155 WeakPolarHBondContact O-CG 3.42Å; A151-R155 PolarHBondContact O-N 2.98Å; I152-R155 PolarHBondContact O-N 2.78Å; R155-K158 WeakPolarHBondContact O-CB 3.42Å; R155-K158 PolarHBondContact O-N 3.34Å; R155-Q159 WeakPolarHBondContact O-CB 3.21Å; R155-Q159 PolarHBondContact O-N 3.34Å; R155-C182 PolarHBondContact NH2-O 3.13Å; R155-F183 HydrophobicContact CG-CE1 4.1Å; R155-F183 HydrophobicContact CG-CZ 4.26Å; R155-D186 IonicContact CZ-OD2 3.78Å; R155-D186 IonicContact NH1-OD2 3.76Å; R155-D186 PolarHBondContact NH1-OD2 3.29Å; R155-D186 IonicContact NH2-OD2 3.39Å
156Y98.9Very high98.7Very high12 Ų1233.3 Ų33.35%0.04716%0.162CC..Hα-helixtrans-65.8-44.7176.8179.5-97.3000113.1R53 E59 L111 V114 D115 I152 A153 A154 K158 Q159 K160R53-Y156 PolarHBondContact NH2-OH 3.16Å; E59-Y156 HydrophobicContact CG-CD2 4.39Å; E59-Y156 HydrophobicContact CG-CE2 4.45Å; E59-Y156 VanDerWaalsContact OE1-CE2 3.28Å; E59-Y156 WeakPolarHBondContact OE1-CE2 3.27Å; L111-Y156 HydrophobicContact CB-CD1 4.39Å; L111-Y156 HydrophobicContact CB-CE1 4.14Å; L111-Y156 HydrophobicContact CD1-CD2 4.09Å; L111-Y156 HydrophobicContact CD1-CE2 4.18Å; L111-Y156 HydrophobicContact CD1-CG 4.35Å; L111-Y156 HydrophobicContact CD2-CD1 3.66Å; L111-Y156 HydrophobicContact CD2-CD2 4.12Å; L111-Y156 HydrophobicContact CD2-CE1 4.25Å; L111-Y156 HydrophobicContact CD2-CG 3.53Å; L111-Y156 HydrophobicContact CG-CD1 4.47Å; L111-Y156 HydrophobicContact CG-CG 4.4Å; V114-Y156 HydrophobicContact CG1-CD1 4.09Å; V114-Y156 HydrophobicContact CG1-CE1 4.44Å; D115-Y156 VanDerWaalsContact CG-OH 3.29Å; D115-Y156 WeakPolarHBondContact OD1-CE1 3.32Å; D115-Y156 PolarHBondContact OD1-OH 3.31Å; D115-Y156 PolarHBondContact OD2-OH 3.04Å; I152-Y156 WeakPolarHBondContact O-CB 3.45Å; I152-Y156 PolarHBondContact O-N 2.88Å; A153-Y156 PolarHBondContact O-N 3.4Å; A154-Y156 VanDerWaalsContact C-N 3.26Å; A154-Y156 PolarHBondContact O-N 3.18Å; Y156-K158 PolarHBondContact O-N 2.61Å; Y156-Q159 PolarHBondContact O-N 3.36Å; Y156-K160 HydrophobicContact CE1-CD 3.76Å; Y156-K160 HydrophobicContact CE2-CB 4.38Å; Y156-K160 HydrophobicContact CE2-CD 3.64Å; Y156-K160 WeakPolarHBondContact O-CB 3.28Å; Y156-K160 PolarHBondContact O-N 3.04Å; Y156-K160 WeakPolarHBondContact OH-CD 3.32Å; Y156-K160 PolarHBondContact OH-NZ 3.44Å
157A98.8Very high98.7Very high0 Ų033.3 Ų33.30%016%0.162CC..Hα-helixtrans-57.6-41175.900000111.3V114 A153 A154 H161 G162 A163 L257V114-A157 HydrophobicContact CG1-CB 3.76Å; A153-A157 WeakPolarHBondContact O-CB 3.43Å; A153-A157 PolarHBondContact O-N 3.01Å; A154-A157 PolarHBondContact O-N 3.32Å; A157-H161 CarbonylContact O-C 3.54Å; A157-H161 WeakPolarHBondContact O-CA 3.16Å; A157-H161 WeakPolarHBondContact O-CB 3.38Å; A157-H161 PolarHBondContact O-N 3.23Å; A157-G162 PolarHBondContact O-N 3.16Å; A157-A163 HydrophobicContact CB-CB 4.2Å; A157-A163 PolarHBondContact O-N 3.46Å; A157-L257 HydrophobicContact CB-CD2 3.6Å
158K98.6Very high98.7Very high51 Ų5133.3 Ų33.322%0.22216%0.162CC..Hα-helixtrans-64.4-52.8175.2-64.5-156.362.4119.30112.5A154 R155 Y156 G162 A163 E164 V166 S188 V189A154-K158 WeakPolarHBondContact O-CG 3.2Å; A154-K158 PolarHBondContact O-N 3.37Å; A154-K158 VanDerWaalsContact O-N 3.09Å; R155-K158 WeakPolarHBondContact O-CB 3.42Å; R155-K158 PolarHBondContact O-N 3.34Å; Y156-K158 PolarHBondContact O-N 2.61Å; K158-G162 WeakPolarHBondContact O-CA 3.43Å; K158-G162 PolarHBondContact O-N 3.41Å; K158-A163 WeakPolarHBondContact CE-O 3.08Å; K158-A163 WeakPolarHBondContact CG-O 3.35Å; K158-E164 PolarHBondContact NZ-O 2.85Å; K158-V166 HydrophobicContact CG-CG2 4.11Å; K158-S188 PolarHBondContact NZ-OG 3.29Å; K158-V189 HydrophobicContact CD-CG2 4.24Å
159Q98.3Very high98.7Very high142 Ų14233.3 Ų33.366%0.66416%0.162SC*.Hα-helixtrans-71.1-41.5-173.6-170.9-177.51300113.1R155 Y156R155-Q159 WeakPolarHBondContact O-CB 3.21Å; R155-Q159 PolarHBondContact O-N 3.34Å; Y156-Q159 PolarHBondContact O-N 3.36Å
160K98.4Very high98.7Very high116 Ų11633.3 Ų33.350%0.50416%0.162SC..Hα-helixtrans-92.2-39.2-173.7-171.9-179.5179.8-168.20113.3D115 Y156D115-K160 IonicContact OD1-NZ 3.03Å; D115-K160 PolarHBondContact OD1-NZ 2.84Å; D115-K160 IonicContact OD2-NZ 3.88Å; D115-K160 PolarHBondContact OD2-NZ 3.47Å; D115-K160 VanDerWaalsContact OD2-NZ 3.08Å; Y156-K160 HydrophobicContact CE1-CD 3.76Å; Y156-K160 HydrophobicContact CE2-CB 4.38Å; Y156-K160 HydrophobicContact CE2-CD 3.64Å; Y156-K160 WeakPolarHBondContact O-CB 3.28Å; Y156-K160 PolarHBondContact O-N 3.04Å; Y156-K160 WeakPolarHBondContact OH-CD 3.32Å; Y156-K160 PolarHBondContact OH-NZ 3.44Å
161H98.4Very high98.7Very high48 Ų4833.4 Ų33.422%0.22216%0.162CC..Hα-helixtrans-107.5-2.2-173.6-62.3-76.6000113.8D115 M118 A157 A163D115-H161 IonicContact OD1-CD2 3.89Å; D115-H161 IonicContact OD1-CE1 3.65Å; D115-H161 PolarHBondContact OD1-CE1 2.95Å; D115-H161 IonicContact OD1-NE2 3.06Å; D115-H161 PolarHBondContact OD1-NE2 3.35Å; M118-H161 HydrophobicContact CB-CB 3.96Å; M118-H161 HydrophobicContact CE-CB 3.89Å; M118-H161 HydrophobicContact CG-CB 4.17Å; A157-H161 CarbonylContact O-C 3.54Å; A157-H161 WeakPolarHBondContact O-CA 3.16Å; A157-H161 WeakPolarHBondContact O-CB 3.38Å; A157-H161 PolarHBondContact O-N 3.23Å; H161-A163 VanDerWaalsContact C-N 3.28Å; H161-A163 PolarHBondContact O-N 2.75Å
162G98Very high98.7Very high53 Ų5333.4 Ų33.455%0.54616%0.162SC..  trans6825.8177.700000113.8A157 K158 E164A157-G162 PolarHBondContact O-N 3.16Å; K158-G162 WeakPolarHBondContact O-CA 3.43Å; K158-G162 PolarHBondContact O-N 3.41Å; G162-E164 PolarHBondContact O-N 3.38Å
163A98Very high98.7Very high5 Ų533.4 Ų33.44%0.04116%0.162CC..  trans-61.9121.617300000109.6M118 A157 K158 H161 V166 D256M118-A163 HydrophobicContact CE-CB 4.07Å; A157-A163 HydrophobicContact CB-CB 4.2Å; A157-A163 PolarHBondContact O-N 3.46Å; K158-A163 WeakPolarHBondContact CE-O 3.08Å; K158-A163 WeakPolarHBondContact CG-O 3.35Å; H161-A163 VanDerWaalsContact C-N 3.28Å; H161-A163 PolarHBondContact O-N 2.75Å; A163-V166 HydrophobicContact CB-CG2 4.03Å; A163-D256 HydrophobicContact CB-CB 4.49Å
164E97.9Very high98.7Very high132 Ų13233.6 Ų33.662%0.61716%0.163SC*.SBendtrans-85.1-42.3-178.6-63-175.416800110.6K158 G162 S188 D256K158-E164 PolarHBondContact NZ-O 2.85Å; G162-E164 PolarHBondContact O-N 3.38Å; E164-S188 WeakPolarHBondContact O-CB 3.28Å; E164-D256 WeakPolarHBondContact CA-OD2 3.32Å; E164-D256 WeakPolarHBondContact CB-OD2 3.37Å; E164-D256 PolarHBondContact N-OD2 3.19Å
165R98.6Very high98.7Very high71 Ų7133.7 Ų33.727%0.26816%0.163SC..  trans-123.7117.1-178.2-66.5179.1-53.1-61.1-17.4110.7S188 F253 C254 D256 L257R165-S188 WeakPolarHBondContact CA-O 3.27Å; R165-F253 HydrophobicContact CB-CD1 4.47Å; R165-F253 HydrophobicContact CB-CE1 3.78Å; R165-F253 HydrophobicContact CB-CE2 4.17Å; R165-F253 HydrophobicContact CB-CZ 3.62Å; R165-F253 WeakPolarHBondContact CD-O 3.23Å; R165-F253 HydrophobicContact CG-CE2 4.1Å; R165-F253 HydrophobicContact CG-CZ 4.02Å; R165-F253 PolarHBondContact NE-O 2.77Å; R165-C254 VanDerWaalsContact CZ-O 3.27Å; R165-C254 PolarHBondContact NE-O 3.26Å; R165-C254 PolarHBondContact NH2-O 3.1Å; R165-D256 IonicContact CZ-OD1 3.54Å; R165-D256 PolarHBondContact N-OD2 3.42Å; R165-D256 IonicContact NH2-OD1 3.91Å; R165-D256 PolarHBondContact NH2-OD1 2.98Å; R165-D256 IonicContact NH2-OD2 2.74Å; R165-D256 PolarHBondContact O-N 3.49Å; R165-L257 PolarHBondContact O-N 3.02Å
166V98.9Very high98.7Very high0 Ų030.4 Ų30.40%015%0.151CC..EExtended strand (participates in β ladder)trans-112.9124176.8-177.80000109.1A154 K158 A163 I168 S188 V189 L190 F253 L259A154-V166 HydrophobicContact CB-CG1 4.14Å; K158-V166 HydrophobicContact CG-CG2 4.11Å; A163-V166 HydrophobicContact CB-CG2 4.03Å; V166-I168 HydrophobicContact CG1-CG1 4.32Å; V166-S188 PolarHBondContact N-O 2.98Å; V166-V189 HydrophobicContact CB-CG2 4.35Å; V166-V189 CarbonylContact O-C 3.54Å; V166-V189 VanDerWaalsContact O-CA 3.3Å; V166-V189 WeakPolarHBondContact O-CA 3.25Å; V166-L190 PolarHBondContact O-N 2.57Å; V166-F253 WeakPolarHBondContact O-CE1 3.11Å; V166-L259 HydrophobicContact CG1-CD1 3.89Å; V166-L259 HydrophobicContact CG1-CG 4.06Å
167L98.9Very high98.7Very high0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-94126.1170169.363.6000108.3V169 L190 L246 A250 F253 P255 L257 V258 L259 L292L167-V169 HydrophobicContact CD1-CG2 4.06Å; L167-V169 HydrophobicContact CD2-CG2 3.87Å; L167-V169 HydrophobicContact CG-CG2 3.78Å; L167-L190 HydrophobicContact CD1-CB 4.19Å; L167-L190 HydrophobicContact CD1-CD2 3.72Å; L167-L190 HydrophobicContact CD1-CG 3.76Å; L167-L246 HydrophobicContact CD1-CD1 4.39Å; L167-A250 HydrophobicContact CD2-CB 3.72Å; L167-F253 HydrophobicContact CB-CD1 4.4Å; L167-F253 HydrophobicContact CB-CE1 4.39Å; L167-P255 HydrophobicContact CB-CB 3.7Å; L167-P255 HydrophobicContact CB-CG 3.9Å; L167-P255 HydrophobicContact CD2-CG 4.23Å; L167-L257 PolarHBondContact N-O 3.4Å; L167-V258 HydrophobicContact CB-CG2 4.44Å; L167-V258 HydrophobicContact CD2-CG1 4.31Å; L167-V258 HydrophobicContact CD2-CG2 4.22Å; L167-V258 HydrophobicContact CG-CG1 4.44Å; L167-V258 CarbonylContact O-C 3.49Å; L167-V258 WeakPolarHBondContact O-CA 3.25Å; L167-L259 PolarHBondContact O-N 2.84Å; L167-L292 HydrophobicContact CD2-CD1 3.8Å
168I99Very high98.7Very high0 Ų030.2 Ų30.20%015%0.151CC..EExtended strand (participates in β ladder)trans-107.8119.7168.5-57.4171.6000107.7V150 A154 V166 V179 F183 V189 L190 Y191 F192 L259V150-I168 HydrophobicContact CG1-CD1 4.15Å; V150-I168 HydrophobicContact CG1-CG1 4.21Å; V150-I168 HydrophobicContact CG1-CG2 3.77Å; A154-I168 HydrophobicContact CB-CD1 4.08Å; V166-I168 HydrophobicContact CG1-CG1 4.32Å; I168-V179 HydrophobicContact CD1-CG1 3.73Å; I168-V179 HydrophobicContact CG2-CG1 4.22Å; I168-F183 HydrophobicContact CD1-CD2 4.03Å; I168-F183 HydrophobicContact CD1-CE2 3.68Å; I168-F183 HydrophobicContact CD1-CZ 4.44Å; I168-V189 HydrophobicContact CD1-CG1 3.63Å; I168-V189 HydrophobicContact CG1-CG1 4.06Å; I168-L190 PolarHBondContact N-O 3.38Å; I168-Y191 HydrophobicContact CB-CD2 3.98Å; I168-Y191 HydrophobicContact CG2-CD2 3.78Å; I168-Y191 HydrophobicContact CG2-CE2 4.09Å; I168-F192 PolarHBondContact O-N 3.43Å; I168-L259 CarbonylContact C-O 3.52Å; I168-L259 WeakPolarHBondContact CA-O 3.37Å; I168-L259 HydrophobicContact CG1-CB 4.25Å; I168-L259 HydrophobicContact CG1-CD1 4.34Å
169V99Very high98.7Very high0 Ų027.8 Ų27.80%014%0.141CC..EExtended strand (participates in β ladder)trans-107113.4173.8-176.30000108.3L167 F192 F242 L246 V258 L259 V260 C261 L289L167-V169 HydrophobicContact CD1-CG2 4.06Å; L167-V169 HydrophobicContact CD2-CG2 3.87Å; L167-V169 HydrophobicContact CG-CG2 3.78Å; V169-F192 HydrophobicContact CG1-CD1 3.94Å; V169-F192 HydrophobicContact CG1-CE1 4.43Å; V169-F242 HydrophobicContact CG1-CZ 4.32Å; V169-L246 HydrophobicContact CG1-CD2 3.78Å; V169-L246 HydrophobicContact CG2-CD1 4.22Å; V169-L246 HydrophobicContact CG2-CD2 4.18Å; V169-V258 HydrophobicContact CG2-CG1 4.33Å; V169-L259 PolarHBondContact N-O 3.13Å; V169-V260 CarbonylContact O-C 3.6Å; V169-V260 VanDerWaalsContact O-CA 3.26Å; V169-V260 WeakPolarHBondContact O-CA 3.47Å; V169-C261 PolarHBondContact O-N 2.91Å; V169-L289 HydrophobicContact CB-CD1 4.16Å; V169-L289 HydrophobicContact CG1-CD1 4.14Å; V169-L289 HydrophobicContact CG2-CD1 4.02Å; V169-L289 HydrophobicContact CG2-CD2 3.94Å
170D98.9Very high98.7Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-101.7109.3174.2-162.9-14.7000110.2H134 D172 Y191 F192 S193 W194 C261H134-D170 IonicContact CE1-OD2 2.69Å; H134-D170 IonicContact CG-OD2 2.68Å; H134-D170 IonicContact ND1-OD1 3.76Å; H134-D170 IonicContact ND1-OD2 2.68Å; H134-D170 PolarHBondContact ND1-OD2 2.95Å; D170-D172 WeakPolarHBondContact OD1-CB 3.25Å; D170-D172 PolarHBondContact OD1-N 2.98Å; D170-Y191 HydrophobicContact CB-CE2 3.72Å; D170-Y191 PolarHBondContact OD2-OH 3.31Å; D170-Y191 VanDerWaalsContact OD2-OH 3.07Å; D170-F192 WeakPolarHBondContact CB-O 3.3Å; D170-F192 PolarHBondContact N-O 3.47Å; D170-S193 WeakPolarHBondContact O-CA 3.48Å; D170-W194 PolarHBondContact O-N 3.02Å; D170-C261 HydrophobicContact CB-CB 3.83Å; D170-C261 WeakPolarHBondContact OD1-CB 3.36Å
171W98.9Very high98.7Very high2 Ų219.1 Ų19.11%0.00810%0.099CC..  trans-108.45.5176.872.531.7000112.6W194 V260 C261 A262 G263 F264 S266 F282 L285 T286 L289 T317W171-W194 VanDerWaalsContact C-NE1 3.26Å; W171-W194 VanDerWaalsContact CA-NE1 3.26Å; W171-W194 HydrophobicContact CB-CZ2 3.72Å; W171-W194 PolarHBondContact O-NE1 3.19Å; W171-V260 HydrophobicContact CD2-CG1 3.83Å; W171-V260 HydrophobicContact CE3-CG1 3.9Å; W171-V260 HydrophobicContact CG-CG1 4.47Å; W171-V260 HydrophobicContact CH2-CG1 4Å; W171-V260 HydrophobicContact CZ2-CG1 3.95Å; W171-V260 HydrophobicContact CZ3-CG1 3.98Å; W171-C261 PolarHBondContact N-O 3.37Å; W171-A262 HydrophobicContact CZ2-CB 4.06Å; W171-A262 VanDerWaalsContact NE1-CA 3.32Å; W171-G263 PolarHBondContact NE1-O 3.45Å; W171-F264 AromaticContact CZ2-CE1 3.9Å; W171-F264 HydrophobicContact CZ2-CE1 3.9Å; W171-F264 HydrophobicContact CZ2-CZ 4.23Å; W171-F264 AromaticContact NE1-CE1 3.91Å; W171-S266 WeakPolarHBondContact O-CB 3.38Å; W171-S266 PolarHBondContact O-OG 3.32Å; W171-F282 HydrophobicContact CD2-CD1 4.08Å; W171-F282 HydrophobicContact CD2-CE1 4.31Å; W171-F282 AromaticContact CE2-CD1 3.72Å; W171-F282 HydrophobicContact CG-CE1 4.31Å; W171-F282 HydrophobicContact CH2-CD1 4.39Å; W171-F282 AromaticContact CZ2-CD1 3.91Å; W171-F282 HydrophobicContact CZ2-CD1 3.91Å; W171-F282 AromaticContact NE1-CD1 3.9Å; W171-F282 AromaticContact NE1-CE1 3.84Å; W171-L285 HydrophobicContact CD2-CD1 4.48Å; W171-L285 HydrophobicContact CE3-CB 3.9Å; W171-L285 HydrophobicContact CE3-CD1 3.92Å; W171-L285 HydrophobicContact CZ3-CB 3.64Å; W171-L285 HydrophobicContact CZ3-CD1 4.4Å; W171-T286 WeakPolarHBondContact CH2-OG1 3.44Å; W171-L289 HydrophobicContact CZ3-CD1 4.45Å; W171-T317 HydrophobicContact CH2-CG2 4.46Å
172D98.9Very high98.7Very high0 Ų017.9 Ų17.90%010%0.096CC..SBendtrans-57.1150.6166.6-167.1-73.2000108.8H134 D170 H174 G263 E302 G303H134-D172 VanDerWaalsContact CE1-CB 3.45Å; H134-D172 WeakPolarHBondContact CE1-CB 3.5Å; H134-D172 IonicContact CE1-OD1 3.57Å; H134-D172 PolarHBondContact CE1-OD1 3.14Å; H134-D172 IonicContact CE1-OD2 2.94Å; H134-D172 IonicContact NE2-OD1 2.75Å; H134-D172 IonicContact NE2-OD2 2.73Å; D170-D172 WeakPolarHBondContact OD1-CB 3.25Å; D170-D172 PolarHBondContact OD1-N 2.98Å; D172-H174 PolarHBondContact O-N 3.12Å; D172-H174 WeakPolarHBondContact OD1-CB 3.32Å; D172-H174 IonicContact OD1-CG 2.84Å; D172-H174 PolarHBondContact OD1-N 2.94Å; D172-H174 IonicContact OD1-ND1 3.34Å; D172-H174 PolarHBondContact OD1-ND1 2.96Å; D172-H174 VanDerWaalsContact OD1-ND1 3.13Å; D172-G263 VanDerWaalsContact OD2-CA 3.23Å; D172-G263 WeakPolarHBondContact OD2-CA 3.34Å; D172-E302 WeakPolarHBondContact OD2-CB 3.44Å; D172-G303 VanDerWaalsContact OD2-CA 3.24Å; D172-G303 WeakPolarHBondContact OD2-CA 3.18Å; D172-G303 PolarHBondContact OD2-N 3.41Å
173I98.8Very high98.8Very high0 Ų015.6 Ų15.60%07%0.071CC..SBendtrans-76.4-14.1-178.2-153.450000112.8H195 R196 D265 M275I173-H195 CarbonylContact O-C 3.58Å; I173-H195 WeakPolarHBondContact O-CA 3.45Å; I173-H195 VanDerWaalsContact O-CB 3.23Å; I173-H195 WeakPolarHBondContact O-CB 3.49Å; I173-R196 HydrophobicContact CD1-CB 4.35Å; I173-R196 HydrophobicContact CG1-CB 3.95Å; I173-R196 PolarHBondContact O-N 3.09Å; I173-D265 HydrophobicContact CB-CB 4.47Å; I173-D265 HydrophobicContact CG2-CB 3.73Å; I173-D265 WeakPolarHBondContact CG2-OD1 3.48Å; I173-D265 PolarHBondContact N-OD1 2.88Å; I173-M275 HydrophobicContact CD1-CE 3.63Å; I173-M275 HydrophobicContact CD1-CG 3.6Å; I173-M275 HydrophobicContact CD1-SD 4.34Å; I173-M275 HydrophobicContact CG1-CE 3.98Å; I173-M275 HydrophobicContact CG1-CG 4.01Å
174H98.9Very high98.7Very high6 Ų616.8 Ų16.83%0.0288%0.076CC..SBendtrans-96.8147.1175-54.589.3000111.1H135 D172 G176 F202 W203 D265H135-H174 WeakPolarHBondContact CE1-CB 3.08Å; H135-H174 WeakPolarHBondContact NE2-CB 3.34Å; D172-H174 PolarHBondContact O-N 3.12Å; D172-H174 WeakPolarHBondContact OD1-CB 3.32Å; D172-H174 IonicContact OD1-CG 2.84Å; D172-H174 PolarHBondContact OD1-N 2.94Å; D172-H174 IonicContact OD1-ND1 3.34Å; D172-H174 PolarHBondContact OD1-ND1 2.96Å; D172-H174 VanDerWaalsContact OD1-ND1 3.13Å; H174-G176 PolarHBondContact O-N 2.88Å; H174-F202 AromaticContact CD2-CE1 3.35Å; H174-F202 WeakPolarHBondContact CD2-CE1 3.39Å; H174-F202 AromaticContact CD2-CZ 3.75Å; H174-F202 AromaticContact NE2-CE1 3.52Å; H174-F202 AromaticContact NE2-CZ 3.41Å; H174-F202 WeakPolarHBondContact NE2-CZ 3.42Å; H174-W203 HydrophobicContact CB-CE3 4.37Å; H174-W203 HydrophobicContact CB-CZ3 4.1Å; H174-W203 AromaticContact CD2-CE3 3.65Å; H174-D265 IonicContact CE1-OD2 2.73Å; H174-D265 PolarHBondContact CE1-OD2 2.92Å; H174-D265 IonicContact ND1-OD2 3.66Å; H174-D265 PolarHBondContact ND1-OD2 2.83Å; H174-D265 VanDerWaalsContact ND1-OD2 3.11Å
175H98.9Very high98.8Very high1 Ų115.2 Ų15.21%0.0057%0.071CC..  trans-69.2119.1174.4179.2-124.1000110.2H135 Q177 Q180 H195 S209 N225H135-H175 PolarHBondContact CE1-O 3.5Å; H135-H175 PolarHBondContact ND1-O 3.41Å; H175-Q177 PolarHBondContact O-N 3.21Å; H175-Q177 PolarHBondContact O-OE1 2.85Å; H175-Q180 PolarHBondContact CE1-OE1 2.81Å; H175-Q180 PolarHBondContact NE2-OE1 3.22Å; H175-H195 HydrophobicContact CB-CB 4.12Å; H175-H195 AromaticContact CD2-CE1 3.39Å; H175-H195 PolarHBondContact CD2-CE1 3.23Å; H175-H195 AromaticContact CD2-ND1 3.51Å; H175-H195 AromaticContact CG-CE1 3.91Å; H175-H195 AromaticContact CG-ND1 3.94Å; H175-S209 PolarHBondContact ND1-OG 3.34Å; H175-N225 PolarHBondContact NE2-OD1 2.82Å; H175-N225 VanDerWaalsContact NE2-OD1 3.16Å
176G98.8Very high98.8Very high0 Ų012.9 Ų12.90%06%0.064CC..  trans-7265.417100000113.3H134 H174 G178 V179 Q180 Y191H134-G176 CarbonylContact O-C 3.58Å; H174-G176 PolarHBondContact O-N 2.88Å; G176-G178 PolarHBondContact O-N 2.96Å; G176-G178 VanDerWaalsContact O-N 3.14Å; G176-V179 WeakPolarHBondContact O-CB 3.49Å; G176-V179 PolarHBondContact O-N 3.14Å; G176-Q180 PolarHBondContact O-N 3.01Å; G176-Q180 VanDerWaalsContact O-N 3.13Å; G176-Y191 WeakPolarHBondContact CA-OH 3.48Å; G176-Y191 PolarHBondContact N-OH 3.24Å; G176-Y191 PolarHBondContact O-OH 2.88Å
177Q98.8Very high98.7Very high4 Ų415.2 Ų15.22%0.0198%0.079CC..Hα-helixtrans-54.8-32.5-17979-75.92600113.2H135 S142 H175 V179 Q180 Y181 L206H135-Q177 PolarHBondContact ND1-OE1 2.49Å; S142-Q177 PolarHBondContact OG-NE2 3.01Å; H175-Q177 PolarHBondContact O-N 3.21Å; H175-Q177 PolarHBondContact O-OE1 2.85Å; Q177-V179 VanDerWaalsContact C-N 3.34Å; Q177-V179 PolarHBondContact O-N 3.03Å; Q177-Q180 PolarHBondContact O-N 3.09Å; Q177-Y181 HydrophobicContact CB-CE2 3.97Å; Q177-Y181 HydrophobicContact CG-CD2 4.48Å; Q177-Y181 HydrophobicContact CG-CE2 3.85Å; Q177-Y181 WeakPolarHBondContact O-CD2 3.48Å; Q177-Y181 PolarHBondContact O-N 2.95Å; Q177-L206 HydrophobicContact CB-CD1 3.66Å; Q177-L206 HydrophobicContact CG-CD1 3.74Å
178G98.8Very high98.7Very high3 Ų316.6 Ų16.63%0.0319%0.089CC..Hα-helixtrans-63-39.9176.300000112.5H134 S136 N148 G176 C182H134-G178 WeakPolarHBondContact O-CA 3.2Å; H134-G178 PolarHBondContact O-N 3.07Å; S136-G178 WeakPolarHBondContact O-CA 3.41Å; N148-G178 VanDerWaalsContact ND2-C 3.33Å; G176-G178 PolarHBondContact O-N 2.96Å; G176-G178 VanDerWaalsContact O-N 3.14Å; G178-C182 WeakPolarHBondContact O-CB 3.46Å; G178-C182 PolarHBondContact O-N 3Å
179V98.9Very high98.7Very high0 Ų016.6 Ų16.60%09%0.089CC..Hα-helixtrans-68.5-47.9174.4-1760000110.3H134 N148 I168 G176 Q177 Y181 C182 F183 Y191H134-V179 HydrophobicContact CB-CG2 3.91Å; H134-V179 PolarHBondContact O-N 2.93Å; N148-V179 PolarHBondContact ND2-N 3.03Å; I168-V179 HydrophobicContact CD1-CG1 3.73Å; I168-V179 HydrophobicContact CG2-CG1 4.22Å; G176-V179 WeakPolarHBondContact O-CB 3.49Å; G176-V179 PolarHBondContact O-N 3.14Å; Q177-V179 VanDerWaalsContact C-N 3.34Å; Q177-V179 PolarHBondContact O-N 3.03Å; V179-Y181 PolarHBondContact O-N 3.26Å; V179-C182 WeakPolarHBondContact O-CB 3.21Å; V179-C182 PolarHBondContact O-N 3.23Å; V179-F183 HydrophobicContact CG1-CD2 3.94Å; V179-F183 HydrophobicContact CG1-CE2 4.06Å; V179-F183 VanDerWaalsContact O-CD2 3.32Å; V179-F183 WeakPolarHBondContact O-CD2 3.45Å; V179-F183 PolarHBondContact O-N 3.37Å; V179-Y191 HydrophobicContact CB-CD2 4.07Å; V179-Y191 HydrophobicContact CB-CE2 3.68Å; V179-Y191 HydrophobicContact CG1-CD2 3.36Å; V179-Y191 HydrophobicContact CG1-CE2 3.47Å; V179-Y191 VanDerWaalsContact CG1-CE2 3.47Å; V179-Y191 HydrophobicContact CG1-CG 4.01Å; V179-Y191 HydrophobicContact CG2-CE2 4.38Å
180Q98.9Very high98.7Very high0 Ų016.7 Ų16.70%09%0.089CC..Hα-helixtrans-53.3-51177.1168.8164.7-50.500111.5H175 G176 Q177 C182 F183 E184 Y191 E208 N223 N225H175-Q180 PolarHBondContact CE1-OE1 2.81Å; H175-Q180 PolarHBondContact NE2-OE1 3.22Å; G176-Q180 PolarHBondContact O-N 3.01Å; G176-Q180 VanDerWaalsContact O-N 3.13Å; Q177-Q180 PolarHBondContact O-N 3.09Å; Q180-C182 VanDerWaalsContact C-N 3.27Å; Q180-C182 PolarHBondContact O-N 3.41Å; Q180-F183 PolarHBondContact O-N 2.97Å; Q180-E184 WeakPolarHBondContact O-CA 3.47Å; Q180-E184 WeakPolarHBondContact O-CB 3.35Å; Q180-E184 PolarHBondContact O-N 3.45Å; Q180-Y191 HydrophobicContact CB-CD1 4.06Å; Q180-Y191 HydrophobicContact CB-CE1 3.91Å; Q180-E208 PolarHBondContact NE2-O 2.83Å; Q180-N223 VanDerWaalsContact CG-OD1 3.26Å; Q180-N223 WeakPolarHBondContact CG-OD1 3.33Å; Q180-N223 PolarHBondContact OE1-ND2 2.67Å; Q180-N223 PolarHBondContact OE1-OD1 2.99Å; Q180-N225 PolarHBondContact OE1-ND2 2.89Å; Q180-N225 PolarHBondContact OE1-OD1 3.34Å
181Y98.8Very high98.7Very high76 Ų7616.7 Ų16.730%0.2989%0.09SC..Hα-helixtrans-64.1-30.5179.4-60.7-31.4000113.3M137 Q177 V179 F183 E208M137-Y181 HydrophobicContact CG-CD2 4.1Å; M137-Y181 HydrophobicContact CG-CE2 4.41Å; M137-Y181 HydrophobicContact SD-CD2 4.08Å; M137-Y181 HydrophobicContact SD-CE2 3.9Å; Q177-Y181 HydrophobicContact CB-CE2 3.97Å; Q177-Y181 HydrophobicContact CG-CD2 4.48Å; Q177-Y181 HydrophobicContact CG-CE2 3.85Å; Q177-Y181 WeakPolarHBondContact O-CD2 3.48Å; Q177-Y181 PolarHBondContact O-N 2.95Å; V179-Y181 PolarHBondContact O-N 3.26Å; Y181-F183 VanDerWaalsContact C-N 3.28Å; Y181-F183 PolarHBondContact O-N 2.98Å; Y181-E208 HydrophobicContact CE1-CG 4.04Å; Y181-E208 WeakPolarHBondContact OH-CG 3.39Å; Y181-E208 PolarHBondContact OH-OE1 3.33Å
182C98.8Very high98.7Very high22 Ų2216.7 Ų16.715%0.1499%0.09CC..Hα-helixtrans-68.2-27.9-179.2-168.80000113.1A151 R155 G178 V179 Q180A151-C182 HydrophobicContact CB-CB 4.2Å; R155-C182 PolarHBondContact NH2-O 3.13Å; G178-C182 WeakPolarHBondContact O-CB 3.46Å; G178-C182 PolarHBondContact O-N 3Å; V179-C182 WeakPolarHBondContact O-CB 3.21Å; V179-C182 PolarHBondContact O-N 3.23Å; Q180-C182 VanDerWaalsContact C-N 3.27Å; Q180-C182 PolarHBondContact O-N 3.41Å
183F98.8Very high98.7Very high6 Ų616.7 Ų16.73%0.0269%0.09CC..Hα-helixtrans-125.610.9-172-56.5-66.7000113.9A151 A154 R155 I168 V179 Q180 Y181 D185 D186 V189A151-F183 HydrophobicContact CB-CE2 3.76Å; A151-F183 HydrophobicContact CB-CZ 3.99Å; A154-F183 HydrophobicContact CB-CE1 4.39Å; A154-F183 HydrophobicContact CB-CE2 4.35Å; A154-F183 HydrophobicContact CB-CZ 3.74Å; R155-F183 HydrophobicContact CG-CE1 4.1Å; R155-F183 HydrophobicContact CG-CZ 4.26Å; I168-F183 HydrophobicContact CD1-CD2 4.03Å; I168-F183 HydrophobicContact CD1-CE2 3.68Å; I168-F183 HydrophobicContact CD1-CZ 4.44Å; V179-F183 HydrophobicContact CG1-CD2 3.94Å; V179-F183 HydrophobicContact CG1-CE2 4.06Å; V179-F183 VanDerWaalsContact O-CD2 3.32Å; V179-F183 WeakPolarHBondContact O-CD2 3.45Å; V179-F183 PolarHBondContact O-N 3.37Å; Q180-F183 PolarHBondContact O-N 2.97Å; Y181-F183 VanDerWaalsContact C-N 3.28Å; Y181-F183 PolarHBondContact O-N 2.98Å; F183-D185 PolarHBondContact O-N 2.95Å; F183-D186 HydrophobicContact CB-CB 4.33Å; F183-D186 HydrophobicContact CD1-CB 4.35Å; F183-D186 PolarHBondContact O-N 3.2Å; F183-V189 HydrophobicContact CB-CB 4.09Å; F183-V189 HydrophobicContact CB-CG1 4.19Å; F183-V189 HydrophobicContact CD1-CB 3.7Å; F183-V189 HydrophobicContact CD1-CG1 3.93Å; F183-V189 HydrophobicContact CD1-CG2 3.59Å; F183-V189 HydrophobicContact CD2-CB 4.45Å; F183-V189 HydrophobicContact CD2-CG1 3.83Å; F183-V189 HydrophobicContact CE1-CB 4.27Å; F183-V189 HydrophobicContact CE1-CG1 4.29Å; F183-V189 HydrophobicContact CE1-CG2 3.76Å; F183-V189 HydrophobicContact CE2-CG1 4.21Å; F183-V189 HydrophobicContact CG-CB 3.82Å; F183-V189 HydrophobicContact CG-CG1 3.7Å; F183-V189 HydrophobicContact CG-CG2 4.23Å; F183-V189 HydrophobicContact CZ-CG1 4.44Å
184E97.3Very high98.7Very high30 Ų3016.7 Ų16.714%0.149%0.09CC..THydrogen-bonded Turntrans-56.3-31.5-171.8-158.9175.4-161.600113.3Q180 G215 K216Q180-E184 WeakPolarHBondContact O-CA 3.47Å; Q180-E184 WeakPolarHBondContact O-CB 3.35Å; Q180-E184 PolarHBondContact O-N 3.45Å; E184-G215 CarbonylContact O-C 3.43Å; E184-G215 WeakPolarHBondContact O-CA 3.48Å; E184-K216 VanDerWaalsContact CD-CD 3.43Å; E184-K216 HydrophobicContact CG-CB 4.21Å; E184-K216 HydrophobicContact CG-CD 4.04Å; E184-K216 HydrophobicContact CG-CG 3.91Å; E184-K216 PolarHBondContact O-N 2.81Å; E184-K216 WeakPolarHBondContact OE1-CE 3.25Å; E184-K216 IonicContact OE1-NZ 3.44Å; E184-K216 PolarHBondContact OE1-NZ 2.86Å; E184-K216 WeakPolarHBondContact OE2-CD 3.31Å; E184-K216 VanDerWaalsContact OE2-CE 3.3Å; E184-K216 WeakPolarHBondContact OE2-CE 3.04Å; E184-K216 IonicContact OE2-NZ 2.84Å; E184-K216 PolarHBondContact OE2-NZ 3.05Å
185D98.1Very high98.7Very high98 Ų9816.5 Ų16.552%0.5249%0.088SC..THydrogen-bonded Turntrans-107.16177.666.5-15.5000114.9F183 P187 K216 S218 G219F183-D185 PolarHBondContact O-N 2.95Å; D185-P187 VanDerWaalsContact O-CD 3.31Å; D185-P187 WeakPolarHBondContact O-CD 3.28Å; D185-K216 WeakPolarHBondContact CA-O 3.32Å; D185-S218 PolarHBondContact O-OG 3.4Å; D185-G219 PolarHBondContact O-N 3.37Å
186D98.6Very high98.7Very high23 Ų2317.6 Ų17.612%0.1239%0.093CC..  trans-105.298.1-172.3-167.4-17.6000111.9R155 F183 S188 V189R155-D186 IonicContact CZ-OD2 3.78Å; R155-D186 IonicContact NH1-OD2 3.76Å; R155-D186 PolarHBondContact NH1-OD2 3.29Å; R155-D186 IonicContact NH2-OD2 3.39Å; F183-D186 HydrophobicContact CB-CB 4.33Å; F183-D186 HydrophobicContact CD1-CB 4.35Å; F183-D186 PolarHBondContact O-N 3.2Å; D186-S188 PolarHBondContact O-N 2.8Å; D186-S188 VanDerWaalsContact OD1-CB 3.26Å; D186-S188 WeakPolarHBondContact OD1-CB 3.17Å; D186-S188 PolarHBondContact OD1-N 2.97Å; D186-S188 PolarHBondContact OD1-OG 3.45Å; D186-V189 PolarHBondContact O-N 3.27Å
187P98.4Very high98.7Very high49 Ų4918 Ų1832%0.3189%0.094SC..THydrogen-bonded Turntrans-68.1-7.6-178.928.8-35.8000113.9D185 V189 S218 F222D185-P187 VanDerWaalsContact O-CD 3.31Å; D185-P187 WeakPolarHBondContact O-CD 3.28Å; P187-V189 VanDerWaalsContact C-N 3.31Å; P187-S218 WeakPolarHBondContact CB-O 3.18Å; P187-F222 HydrophobicContact CB-CD2 3.76Å; P187-F222 HydrophobicContact CB-CE1 4.38Å; P187-F222 HydrophobicContact CB-CE2 3.59Å; P187-F222 HydrophobicContact CB-CG 4.23Å; P187-F222 HydrophobicContact CB-CZ 3.92Å; P187-F222 WeakPolarHBondContact O-CD1 3.49Å; P187-F222 WeakPolarHBondContact O-CE1 3.3Å
188S98.6Very high98.7Very high29 Ų2920.2 Ų20.220%0.20311%0.105CC..THydrogen-bonded Turntrans-89.7-4.7-17780.60000112.7K158 E164 R165 V166 D186K158-S188 PolarHBondContact NZ-OG 3.29Å; E164-S188 WeakPolarHBondContact O-CB 3.28Å; R165-S188 WeakPolarHBondContact CA-O 3.27Å; V166-S188 PolarHBondContact N-O 2.98Å; D186-S188 PolarHBondContact O-N 2.8Å; D186-S188 VanDerWaalsContact OD1-CB 3.26Å; D186-S188 WeakPolarHBondContact OD1-CB 3.17Å; D186-S188 PolarHBondContact OD1-N 2.97Å; D186-S188 PolarHBondContact OD1-OG 3.45Å
189V98.9Very high98.6Very high0 Ų027.2 Ų27.20%013%0.13CC..EExtended strand (participates in β ladder)trans-125.6117.7171.2-1780000108.2K158 V166 I168 F183 D186 P187K158-V189 HydrophobicContact CD-CG2 4.24Å; V166-V189 HydrophobicContact CB-CG2 4.35Å; V166-V189 CarbonylContact O-C 3.54Å; V166-V189 VanDerWaalsContact O-CA 3.3Å; V166-V189 WeakPolarHBondContact O-CA 3.25Å; I168-V189 HydrophobicContact CD1-CG1 3.63Å; I168-V189 HydrophobicContact CG1-CG1 4.06Å; F183-V189 HydrophobicContact CB-CB 4.09Å; F183-V189 HydrophobicContact CB-CG1 4.19Å; F183-V189 HydrophobicContact CD1-CB 3.7Å; F183-V189 HydrophobicContact CD1-CG1 3.93Å; F183-V189 HydrophobicContact CD1-CG2 3.59Å; F183-V189 HydrophobicContact CD2-CB 4.45Å; F183-V189 HydrophobicContact CD2-CG1 3.83Å; F183-V189 HydrophobicContact CE1-CB 4.27Å; F183-V189 HydrophobicContact CE1-CG1 4.29Å; F183-V189 HydrophobicContact CE1-CG2 3.76Å; F183-V189 HydrophobicContact CE2-CG1 4.21Å; F183-V189 HydrophobicContact CG-CB 3.82Å; F183-V189 HydrophobicContact CG-CG1 3.7Å; F183-V189 HydrophobicContact CG-CG2 4.23Å; F183-V189 HydrophobicContact CZ-CG1 4.44Å; D186-V189 PolarHBondContact O-N 3.27Å; P187-V189 VanDerWaalsContact C-N 3.31Å
190L98.9Very high98.6Very high1 Ų130.9 Ų30.91%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-92.5118172.2169.960.8000108.2V166 L167 I168 F222 V224 V249 F253 W354V166-L190 PolarHBondContact O-N 2.57Å; L167-L190 HydrophobicContact CD1-CB 4.19Å; L167-L190 HydrophobicContact CD1-CD2 3.72Å; L167-L190 HydrophobicContact CD1-CG 3.76Å; I168-L190 PolarHBondContact N-O 3.38Å; L190-F222 WeakPolarHBondContact CA-O 3.46Å; L190-F222 HydrophobicContact CB-CD1 4.41Å; L190-F222 HydrophobicContact CD1-CB 4.5Å; L190-F222 WeakPolarHBondContact CD1-O 3.45Å; L190-V224 HydrophobicContact CD1-CG2 4.03Å; L190-V249 HydrophobicContact CD1-CG1 4.25Å; L190-V249 HydrophobicContact CD2-CG1 3.61Å; L190-F253 HydrophobicContact CB-CD1 3.76Å; L190-F253 HydrophobicContact CB-CD2 4.21Å; L190-F253 HydrophobicContact CB-CE1 3.58Å; L190-F253 HydrophobicContact CB-CE2 4.05Å; L190-F253 HydrophobicContact CB-CG 4.07Å; L190-F253 HydrophobicContact CB-CZ 3.72Å; L190-F253 HydrophobicContact CD2-CB 3.83Å; L190-F253 HydrophobicContact CD2-CD1 3.84Å; L190-F253 HydrophobicContact CD2-CD2 4.45Å; L190-F253 HydrophobicContact CD2-CG 3.79Å; L190-F253 HydrophobicContact CG-CD1 4.47Å; L190-W354 HydrophobicContact CD1-CZ2 3.98Å; L190-W354 HydrophobicContact CD2-CH2 4.21Å; L190-W354 HydrophobicContact CD2-CZ2 4.31Å
191Y98.9Very high98.6Very high1 Ų138.8 Ų38.80%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-102.9124173.4179.3-115.9000110.4I168 D170 G176 V179 Q180 S193 F222 N223 V224I168-Y191 HydrophobicContact CB-CD2 3.98Å; I168-Y191 HydrophobicContact CG2-CD2 3.78Å; I168-Y191 HydrophobicContact CG2-CE2 4.09Å; D170-Y191 HydrophobicContact CB-CE2 3.72Å; D170-Y191 PolarHBondContact OD2-OH 3.31Å; D170-Y191 VanDerWaalsContact OD2-OH 3.07Å; G176-Y191 WeakPolarHBondContact CA-OH 3.48Å; G176-Y191 PolarHBondContact N-OH 3.24Å; G176-Y191 PolarHBondContact O-OH 2.88Å; V179-Y191 HydrophobicContact CB-CD2 4.07Å; V179-Y191 HydrophobicContact CB-CE2 3.68Å; V179-Y191 HydrophobicContact CG1-CD2 3.36Å; V179-Y191 HydrophobicContact CG1-CE2 3.47Å; V179-Y191 VanDerWaalsContact CG1-CE2 3.47Å; V179-Y191 HydrophobicContact CG1-CG 4.01Å; V179-Y191 HydrophobicContact CG2-CE2 4.38Å; Q180-Y191 HydrophobicContact CB-CD1 4.06Å; Q180-Y191 HydrophobicContact CB-CE1 3.91Å; Y191-S193 WeakPolarHBondContact OH-CB 3.18Å; Y191-F222 PolarHBondContact N-O 3.17Å; Y191-N223 VanDerWaalsContact CD1-OD1 3.3Å; Y191-N223 WeakPolarHBondContact CD1-OD1 3.41Å; Y191-N223 CarbonylContact O-C 3.5Å; Y191-N223 WeakPolarHBondContact O-CA 3.17Å; Y191-V224 PolarHBondContact O-N 3.34Å
192F98.9Very high98.6Very high2 Ų236 Ų361%0.00917%0.171CC..EExtended strand (participates in β ladder)trans-116.6133.5170.6169.4-84.5000108.8I168 V169 D170 V224 V226 V241 V245 L246I168-F192 PolarHBondContact O-N 3.43Å; V169-F192 HydrophobicContact CG1-CD1 3.94Å; V169-F192 HydrophobicContact CG1-CE1 4.43Å; D170-F192 WeakPolarHBondContact CB-O 3.3Å; D170-F192 PolarHBondContact N-O 3.47Å; F192-V224 WeakPolarHBondContact CA-O 3.45Å; F192-V224 HydrophobicContact CD2-CB 4.02Å; F192-V224 HydrophobicContact CD2-CG1 3.83Å; F192-V224 HydrophobicContact CE2-CG1 4.29Å; F192-V226 HydrophobicContact CE2-CG2 3.58Å; F192-V226 HydrophobicContact CZ-CG2 3.91Å; F192-V241 HydrophobicContact CE2-CG1 3.89Å; F192-V241 HydrophobicContact CZ-CG1 3.49Å; F192-V241 VanDerWaalsContact CZ-CG1 3.49Å; F192-V245 HydrophobicContact CE2-CG1 4.34Å; F192-L246 HydrophobicContact CB-CD1 3.87Å; F192-L246 HydrophobicContact CD1-CD1 4.13Å; F192-L246 HydrophobicContact CD1-CD2 3.98Å; F192-L246 HydrophobicContact CD2-CB 4.1Å; F192-L246 HydrophobicContact CD2-CD1 3.94Å; F192-L246 HydrophobicContact CD2-CG 4.46Å; F192-L246 HydrophobicContact CE1-CD2 4Å; F192-L246 HydrophobicContact CE2-CB 3.93Å; F192-L246 HydrophobicContact CG-CD1 3.7Å; F192-L246 HydrophobicContact CG-CD2 4.36Å; F192-L246 HydrophobicContact CG-CG 4.4Å; F192-L246 HydrophobicContact CZ-CB 4.2Å; F192-L246 HydrophobicContact CZ-CD2 4.4Å
193S98.9Very high98.6Very high0 Ų037.6 Ų37.60%017%0.174CC..EExtended strand (participates in β ladder)trans-141.5126.8172.8171.10000109.9D170 Y191 H195 V224 N225 V226D170-S193 WeakPolarHBondContact O-CA 3.48Å; Y191-S193 WeakPolarHBondContact OH-CB 3.18Å; S193-H195 PolarHBondContact OG-ND1 3.05Å; S193-V224 PolarHBondContact N-O 3.16Å; S193-N225 CarbonylContact O-C 3.58Å; S193-N225 WeakPolarHBondContact O-CA 3.25Å; S193-V226 PolarHBondContact O-N 2.94Å
194W98.9Very high98.5Very high0 Ų038.4 Ų38.40%018%0.18CC..EExtended strand (participates in β ladder)trans-89.6163.2151.867.831.4000109.5D170 W171 V226 W228 Y238 V241 F242 L285D170-W194 PolarHBondContact O-N 3.02Å; W171-W194 VanDerWaalsContact C-NE1 3.26Å; W171-W194 VanDerWaalsContact CA-NE1 3.26Å; W171-W194 HydrophobicContact CB-CZ2 3.72Å; W171-W194 PolarHBondContact O-NE1 3.19Å; W194-V226 VanDerWaalsContact CA-O 3.26Å; W194-V226 WeakPolarHBondContact CA-O 3.31Å; W194-V226 HydrophobicContact CB-CB 4.03Å; W194-W228 HydrophobicContact CB-CZ2 4.07Å; W194-W228 HydrophobicContact CD2-CZ2 4.1Å; W194-W228 AromaticContact CE3-CZ2 3.76Å; W194-W228 HydrophobicContact CE3-CZ2 3.76Å; W194-W228 HydrophobicContact CG-CZ2 4.28Å; W194-W228 AromaticContact CG-NE1 3.59Å; W194-Y238 HydrophobicContact CE3-CD1 4.18Å; W194-Y238 HydrophobicContact CE3-CG 4.37Å; W194-Y238 VanDerWaalsContact CH2-CB 3.43Å; W194-Y238 AromaticContact CH2-CD1 3.78Å; W194-Y238 HydrophobicContact CH2-CD1 3.78Å; W194-Y238 AromaticContact CH2-CD2 3.25Å; W194-Y238 HydrophobicContact CH2-CD2 3.25Å; W194-Y238 HydrophobicContact CH2-CE1 4.36Å; W194-Y238 AromaticContact CH2-CE2 3.92Å; W194-Y238 HydrophobicContact CH2-CE2 3.92Å; W194-Y238 AromaticContact CH2-CG 3.18Å; W194-Y238 HydrophobicContact CH2-CG 3.18Å; W194-Y238 HydrophobicContact CZ2-CD1 4.13Å; W194-Y238 AromaticContact CZ2-CD2 3.43Å; W194-Y238 HydrophobicContact CZ2-CD2 3.43Å; W194-Y238 VanDerWaalsContact CZ2-CD2 3.43Å; W194-Y238 HydrophobicContact CZ2-CE1 4.25Å; W194-Y238 AromaticContact CZ2-CE2 3.58Å; W194-Y238 HydrophobicContact CZ2-CE2 3.58Å; W194-Y238 AromaticContact CZ2-CG 3.75Å; W194-Y238 HydrophobicContact CZ2-CG 3.75Å; W194-Y238 AromaticContact CZ3-CD1 3.79Å; W194-Y238 HydrophobicContact CZ3-CD1 3.79Å; W194-Y238 HydrophobicContact CZ3-CD2 4.1Å; W194-Y238 AromaticContact CZ3-CG 3.54Å; W194-Y238 HydrophobicContact CZ3-CG 3.54Å; W194-V241 HydrophobicContact CE3-CG1 4.32Å; W194-F242 HydrophobicContact CE3-CE2 4.34Å; W194-F242 HydrophobicContact CH2-CD2 4.26Å; W194-F242 AromaticContact CH2-CE2 3.76Å; W194-F242 HydrophobicContact CH2-CE2 3.76Å; W194-F242 AromaticContact CZ3-CD2 3.77Å; W194-F242 HydrophobicContact CZ3-CD2 3.77Å; W194-F242 AromaticContact CZ3-CE2 3.57Å; W194-F242 HydrophobicContact CZ3-CE2 3.57Å; W194-L285 HydrophobicContact CH2-CD1 3.54Å; W194-L285 HydrophobicContact CH2-CD2 4.35Å; W194-L285 HydrophobicContact CZ2-CD1 3.91Å
195H98.9Very high98.5Very high1 Ų140.5 Ų40.51%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-173.7153175.839.8-91.1000110.9I173 H175 S193 Y197 S209 V226 W228I173-H195 CarbonylContact O-C 3.58Å; I173-H195 WeakPolarHBondContact O-CA 3.45Å; I173-H195 VanDerWaalsContact O-CB 3.23Å; I173-H195 WeakPolarHBondContact O-CB 3.49Å; H175-H195 HydrophobicContact CB-CB 4.12Å; H175-H195 AromaticContact CD2-CE1 3.39Å; H175-H195 PolarHBondContact CD2-CE1 3.23Å; H175-H195 AromaticContact CD2-ND1 3.51Å; H175-H195 AromaticContact CG-CE1 3.91Å; H175-H195 AromaticContact CG-ND1 3.94Å; S193-H195 PolarHBondContact OG-ND1 3.05Å; H195-Y197 PolarHBondContact O-N 2.76Å; H195-S209 PolarHBondContact CE1-O 3.42Å; H195-S209 PolarHBondContact NE2-O 3.15Å; H195-V226 PolarHBondContact N-O 2.86Å; H195-W228 WeakPolarHBondContact O-CB 3.38Å; H195-W228 PolarHBondContact O-N 3.46Å
196R98.8Very high98.6Very high24 Ų2437.7 Ų37.79%0.09118%0.177CC..EExtended strand (participates in β ladder)trans-61.3132.2165.6-176.9179.7170178.27.3108.8I173 E198 F202 V231 E272 E274 M275I173-R196 HydrophobicContact CD1-CB 4.35Å; I173-R196 HydrophobicContact CG1-CB 3.95Å; I173-R196 PolarHBondContact O-N 3.09Å; R196-E198 HydrophobicContact CG-CG 4.24Å; R196-E198 IonicContact CZ-OE2 3.52Å; R196-E198 IonicContact NE-OE2 3.95Å; R196-E198 PolarHBondContact NE-OE2 2.92Å; R196-E198 IonicContact NH2-OE2 3.58Å; R196-E198 PolarHBondContact NH2-OE2 2.84Å; R196-F202 HydrophobicContact CB-CD1 3.49Å; R196-F202 VanDerWaalsContact CB-CD1 3.49Å; R196-F202 HydrophobicContact CB-CE1 3.71Å; R196-F202 HydrophobicContact CB-CG 3.99Å; R196-F202 HydrophobicContact CB-CZ 4.43Å; R196-F202 VanDerWaalsContact CD-CE2 3.5Å; R196-F202 HydrophobicContact CG-CB 3.84Å; R196-F202 HydrophobicContact CG-CD1 3.57Å; R196-F202 HydrophobicContact CG-CD2 3.94Å; R196-F202 HydrophobicContact CG-CE1 4.01Å; R196-F202 HydrophobicContact CG-CE2 4.39Å; R196-F202 HydrophobicContact CG-CG 3.49Å; R196-F202 VanDerWaalsContact CG-CG 3.49Å; R196-F202 HydrophobicContact CG-CZ 4.41Å; R196-F202 VanDerWaalsContact CZ-CD2 3.47Å; R196-F202 VanDerWaalsContact O-CD1 3.3Å; R196-F202 WeakPolarHBondContact O-CD1 3.35Å; R196-V231 VanDerWaalsContact CZ-CG1 3.47Å; R196-E272 PolarHBondContact NH1-O 2.81Å; R196-E274 IonicContact CZ-OE1 3.39Å; R196-E274 VanDerWaalsContact NH1-CD 3.32Å; R196-E274 IonicContact NH1-OE1 2.72Å; R196-E274 PolarHBondContact NH1-OE1 3.24Å; R196-E274 IonicContact NH2-OE1 3.82Å; R196-E274 PolarHBondContact NH2-OE1 3.44Å; R196-E274 VanDerWaalsContact NH2-OE1 3.16Å; R196-M275 HydrophobicContact CB-CE 3.73Å; R196-M275 HydrophobicContact CG-CE 3.97Å
197Y98.8Very high98.6Very high8 Ų841.1 Ų41.13%0.03119%0.188CC..  trans-135.2-42.2-175.4-176.6-122.5000112H195 R199 Q200 K201 F202 L206 D210 P227 W228 N229H195-Y197 PolarHBondContact O-N 2.76Å; Y197-R199 PolarHBondContact O-N 3.23Å; Y197-R199 VanDerWaalsContact O-N 3.14Å; Y197-Q200 VanDerWaalsContact CE2-CA 3.44Å; Y197-Q200 HydrophobicContact CE2-CB 3.79Å; Y197-Q200 HydrophobicContact CE2-CG 4.02Å; Y197-Q200 CarbonylContact O-C 3.4Å; Y197-Q200 WeakPolarHBondContact O-CA 3.3Å; Y197-Q200 PolarHBondContact O-N 3.37Å; Y197-K201 PolarHBondContact O-N 2.82Å; Y197-F202 PolarHBondContact O-N 2.86Å; Y197-F202 VanDerWaalsContact O-N 3.16Å; Y197-L206 WeakPolarHBondContact CE2-O 3.47Å; Y197-D210 HydrophobicContact CE1-CB 4.09Å; Y197-D210 VanDerWaalsContact CE1-CG 3.5Å; Y197-D210 WeakPolarHBondContact CE1-OD2 3.35Å; Y197-D210 WeakPolarHBondContact OH-CB 3.39Å; Y197-D210 PolarHBondContact OH-OD2 3.31Å; Y197-D210 VanDerWaalsContact OH-OD2 3.11Å; Y197-P227 VanDerWaalsContact CB-CB 3.47Å; Y197-P227 HydrophobicContact CD1-CB 3.47Å; Y197-P227 VanDerWaalsContact CD1-CB 3.47Å; Y197-P227 HydrophobicContact CD1-CG 4.31Å; Y197-P227 HydrophobicContact CE1-CB 4.29Å; Y197-P227 HydrophobicContact CG-CB 3.59Å; Y197-W228 PolarHBondContact N-O 2.78Å; Y197-N229 WeakPolarHBondContact CD1-OD1 3.35Å
198E98.4Very high98.6Very high51 Ų5141.7 Ų41.724%0.23819%0.187CC..THydrogen-bonded Turntrans47.443.5179.1-65.1-173.591.400113.1R196 K201 W228R196-E198 HydrophobicContact CG-CG 4.24Å; R196-E198 IonicContact CZ-OE2 3.52Å; R196-E198 IonicContact NE-OE2 3.95Å; R196-E198 PolarHBondContact NE-OE2 2.92Å; R196-E198 IonicContact NH2-OE2 3.58Å; R196-E198 PolarHBondContact NH2-OE2 2.84Å; E198-K201 HydrophobicContact CB-CB 4.13Å; E198-K201 WeakPolarHBondContact O-CB 3.35Å; E198-K201 WeakPolarHBondContact O-CD 3.34Å; E198-K201 VanDerWaalsContact O-CG 3.27Å; E198-K201 WeakPolarHBondContact O-CG 3.39Å; E198-K201 PolarHBondContact O-N 3.4Å; E198-W228 PolarHBondContact N-O 3.29Å
199R97.8Very high98.6Very high150 Ų15040.4 Ų40.457%0.56618%0.178SC*.THydrogen-bonded Turntrans5654.5-175.1-52-179.5-172.3-89.2-3111.5Y197 K201 N229 E341Y197-R199 PolarHBondContact O-N 3.23Å; Y197-R199 VanDerWaalsContact O-N 3.14Å; R199-K201 VanDerWaalsContact C-N 3.26Å; R199-K201 PolarHBondContact O-N 3.22Å; R199-N229 WeakPolarHBondContact CA-OD1 3.45Å; R199-N229 HydrophobicContact CG-CB 4.29Å; R199-N229 VanDerWaalsContact CG-OD1 3.27Å; R199-N229 WeakPolarHBondContact CG-OD1 3.43Å; R199-N229 PolarHBondContact N-OD1 3.04Å; R199-E341 IonicContact CZ-OE1 2.86Å; R199-E341 IonicContact NH1-OE1 3.16Å; R199-E341 PolarHBondContact NH1-OE1 2.78Å; R199-E341 IonicContact NH2-OE1 3.41Å; R199-E341 PolarHBondContact NH2-OE1 2.98Å; R199-E341 IonicContact NH2-OE2 3.87Å; R199-E341 PolarHBondContact NH2-OE2 3.4Å
200Q98.3Very high98.6Very high78 Ų7841.4 Ų41.436%0.36418%0.183SC..THydrogen-bonded Turntrans69.810.8179.5-153-173-24.400115.3Y197 N205Y197-Q200 VanDerWaalsContact CE2-CA 3.44Å; Y197-Q200 HydrophobicContact CE2-CB 3.79Å; Y197-Q200 HydrophobicContact CE2-CG 4.02Å; Y197-Q200 CarbonylContact O-C 3.4Å; Y197-Q200 WeakPolarHBondContact O-CA 3.3Å; Y197-Q200 PolarHBondContact O-N 3.37Å; Q200-N205 WeakPolarHBondContact CG-O 3.3Å; Q200-N205 PolarHBondContact NE2-O 3.48Å; Q200-N205 PolarHBondContact O-ND2 2.85Å
201K98.4Very high98.5Very high165 Ų16543.7 Ų43.772%0.71719%0.192SC*.THydrogen-bonded Turntrans-85-23.9179.4-66.6177.7-174172.80113.3Y197 E198 R199 N205Y197-K201 PolarHBondContact O-N 2.82Å; E198-K201 HydrophobicContact CB-CB 4.13Å; E198-K201 WeakPolarHBondContact O-CB 3.35Å; E198-K201 WeakPolarHBondContact O-CD 3.34Å; E198-K201 VanDerWaalsContact O-CG 3.27Å; E198-K201 WeakPolarHBondContact O-CG 3.39Å; E198-K201 PolarHBondContact O-N 3.4Å; R199-K201 VanDerWaalsContact C-N 3.26Å; R199-K201 PolarHBondContact O-N 3.22Å; K201-N205 PolarHBondContact O-ND2 2.74Å
202F98.6Very high98.5Very high19 Ų1946.5 Ų46.58%0.08321%0.207CC..SBendtrans-87.9148.7177.3-168.5-110.5000111.7H174 R196 Y197 N205 E272H174-F202 AromaticContact CD2-CE1 3.35Å; H174-F202 WeakPolarHBondContact CD2-CE1 3.39Å; H174-F202 AromaticContact CD2-CZ 3.75Å; H174-F202 AromaticContact NE2-CE1 3.52Å; H174-F202 AromaticContact NE2-CZ 3.41Å; H174-F202 WeakPolarHBondContact NE2-CZ 3.42Å; R196-F202 HydrophobicContact CB-CD1 3.49Å; R196-F202 VanDerWaalsContact CB-CD1 3.49Å; R196-F202 HydrophobicContact CB-CE1 3.71Å; R196-F202 HydrophobicContact CB-CG 3.99Å; R196-F202 HydrophobicContact CB-CZ 4.43Å; R196-F202 VanDerWaalsContact CD-CE2 3.5Å; R196-F202 HydrophobicContact CG-CB 3.84Å; R196-F202 HydrophobicContact CG-CD1 3.57Å; R196-F202 HydrophobicContact CG-CD2 3.94Å; R196-F202 HydrophobicContact CG-CE1 4.01Å; R196-F202 HydrophobicContact CG-CE2 4.39Å; R196-F202 HydrophobicContact CG-CG 3.49Å; R196-F202 VanDerWaalsContact CG-CG 3.49Å; R196-F202 HydrophobicContact CG-CZ 4.41Å; R196-F202 VanDerWaalsContact CZ-CD2 3.47Å; R196-F202 VanDerWaalsContact O-CD1 3.3Å; R196-F202 WeakPolarHBondContact O-CD1 3.35Å; Y197-F202 PolarHBondContact O-N 2.86Å; Y197-F202 VanDerWaalsContact O-N 3.16Å; F202-N205 WeakPolarHBondContact O-CA 3.3Å; F202-N205 PolarHBondContact O-N 2.7Å; F202-N205 PolarHBondContact O-ND2 2.85Å; F202-E272 WeakPolarHBondContact CE2-O 3.41Å; F202-E272 WeakPolarHBondContact CZ-O 3.38Å
203W98.2Very high98.5Very high55 Ų5547.6 Ų47.621%0.20822%0.215CC..THydrogen-bonded Turntrans-58.9138.5178.2-174.299.3000110.3D92 H135 G143 H174 N205D92-W203 VanDerWaalsContact OD2-CD1 3.26Å; D92-W203 PolarHBondContact OD2-NE1 3.03Å; H135-W203 HydrophobicContact CB-CH2 4.36Å; H135-W203 AromaticContact CD2-CH2 3.58Å; H135-W203 AromaticContact CD2-CZ3 3.8Å; H135-W203 AromaticContact CE1-CH2 3.79Å; H135-W203 AromaticContact CE1-CZ3 3.37Å; H135-W203 WeakPolarHBondContact CE1-CZ3 3.17Å; H135-W203 AromaticContact CG-CH2 3.66Å; H135-W203 AromaticContact ND1-CH2 3.77Å; H135-W203 AromaticContact ND1-CZ3 3.79Å; H135-W203 AromaticContact NE2-CH2 3.61Å; H135-W203 AromaticContact NE2-CZ3 3.29Å; H135-W203 VanDerWaalsContact NE2-CZ3 3.29Å; H135-W203 WeakPolarHBondContact NE2-CZ3 3.36Å; G143-W203 VanDerWaalsContact CA-CH2 3.5Å; H174-W203 HydrophobicContact CB-CE3 4.37Å; H174-W203 HydrophobicContact CB-CZ3 4.1Å; H174-W203 AromaticContact CD2-CE3 3.65Å; W203-N205 WeakPolarHBondContact CA-OD1 3.48Å
204P97.9Very high98.4Very high22 Ų2248.3 Ų48.314%0.14322%0.219CC..THydrogen-bonded Turncis-88.115.310.335-37.2000115.4L206P204-L206 VanDerWaalsContact C-N 3.28Å; P204-L206 HydrophobicContact CB-CD1 4.09Å; P204-L206 HydrophobicContact CB-CG 4.04Å; P204-L206 HydrophobicContact CG-CB 4.4Å; P204-L206 HydrophobicContact CG-CD1 3.69Å; P204-L206 HydrophobicContact CG-CG 3.86Å; P204-L206 PolarHBondContact O-N 3.48Å
205N98.1Very high98.4Very high75 Ų7549.1 Ų49.140%0.40123%0.227SC..  trans59.533.2176.6-54.997.8000114.6Q200 K201 F202 W203Q200-N205 WeakPolarHBondContact CG-O 3.3Å; Q200-N205 PolarHBondContact NE2-O 3.48Å; Q200-N205 PolarHBondContact O-ND2 2.85Å; K201-N205 PolarHBondContact O-ND2 2.74Å; F202-N205 WeakPolarHBondContact O-CA 3.3Å; F202-N205 PolarHBondContact O-N 2.7Å; F202-N205 PolarHBondContact O-ND2 2.85Å; W203-N205 WeakPolarHBondContact CA-OD1 3.48Å
206L98.5Very high98.4Very high39 Ų3954.7 Ų54.720%0.20425%0.251CS..  trans-95134.9-175.2-68.3179.6000111.7Q177 Y197 P204 E208 S209Q177-L206 HydrophobicContact CB-CD1 3.66Å; Q177-L206 HydrophobicContact CG-CD1 3.74Å; Y197-L206 WeakPolarHBondContact CE2-O 3.47Å; P204-L206 VanDerWaalsContact C-N 3.28Å; P204-L206 HydrophobicContact CB-CD1 4.09Å; P204-L206 HydrophobicContact CB-CG 4.04Å; P204-L206 HydrophobicContact CG-CB 4.4Å; P204-L206 HydrophobicContact CG-CD1 3.69Å; P204-L206 HydrophobicContact CG-CG 3.86Å; P204-L206 PolarHBondContact O-N 3.48Å; L206-E208 HydrophobicContact CB-CG 4.01Å; L206-E208 WeakPolarHBondContact CB-OE2 2.86Å; L206-E208 HydrophobicContact CD1-CG 4.44Å; L206-E208 PolarHBondContact O-N 2.75Å; L206-S209 WeakPolarHBondContact CB-OG 3.4Å; L206-S209 PolarHBondContact O-N 2.64Å
207R98.4Very high98.3Very high94 Ų9457 Ų5736%0.35528%0.282SS..G310 helixtrans-69.2-29.8177.3177.156.5-176.877.7-1.8111.2S209 D210 D212R207-S209 PolarHBondContact O-N 3.04Å; R207-D210 IonicContact CZ-OD2 3.31Å; R207-D210 VanDerWaalsContact NH1-CB 3.28Å; R207-D210 IonicContact NH1-OD2 3.92Å; R207-D210 WeakPolarHBondContact O-CB 3.42Å; R207-D210 PolarHBondContact O-N 2.91Å; R207-D212 IonicContact CZ-OD1 3.34Å; R207-D212 IonicContact CZ-OD2 3.13Å; R207-D212 IonicContact NH1-OD1 3.86Å; R207-D212 PolarHBondContact NH1-OD1 3.09Å; R207-D212 IonicContact NH1-OD2 2.67Å; R207-D212 IonicContact NH2-OD1 3.11Å; R207-D212 PolarHBondContact NH2-OD1 3.02Å; R207-D212 IonicContact NH2-OD2 3.67Å; R207-D212 PolarHBondContact NH2-OD2 3.32Å
208E98.4Very high98.3Very high62 Ų6260.5 Ų60.529%0.2931%0.308SS..G310 helixtrans-74.6-6.617958-94-104.400113.8Q180 Y181 L206 D210 S213 N225Q180-E208 PolarHBondContact NE2-O 2.83Å; Y181-E208 HydrophobicContact CE1-CG 4.04Å; Y181-E208 WeakPolarHBondContact OH-CG 3.39Å; Y181-E208 PolarHBondContact OH-OE1 3.33Å; L206-E208 HydrophobicContact CB-CG 4.01Å; L206-E208 WeakPolarHBondContact CB-OE2 2.86Å; L206-E208 HydrophobicContact CD1-CG 4.44Å; L206-E208 PolarHBondContact O-N 2.75Å; E208-D210 VanDerWaalsContact C-N 3.27Å; E208-S213 VanDerWaalsContact CA-OG 3.28Å; E208-S213 WeakPolarHBondContact CA-OG 3.49Å; E208-S213 WeakPolarHBondContact O-CB 3.46Å; E208-S213 PolarHBondContact O-OG 3.34Å; E208-N225 PolarHBondContact O-ND2 3.22Å
209S98.8Very high98.3Very high2 Ų258.1 Ų58.11%0.01430%0.297CS..G310 helixtrans-78.6-12.6168.2-52.80000112.1H175 H195 L206 R207 N225H175-S209 PolarHBondContact ND1-OG 3.34Å; H195-S209 PolarHBondContact CE1-O 3.42Å; H195-S209 PolarHBondContact NE2-O 3.15Å; L206-S209 WeakPolarHBondContact CB-OG 3.4Å; L206-S209 PolarHBondContact O-N 2.64Å; R207-S209 PolarHBondContact O-N 3.04Å; S209-N225 VanDerWaalsContact O-CB 3.31Å; S209-N225 WeakPolarHBondContact O-CB 3.3Å; S209-N225 PolarHBondContact O-ND2 2.84Å
210D98.8Very high98.3Very high21 Ų2152.2 Ų52.211%0.11228%0.28CS..SBendtrans-69.5164.3179.4-142.5-26.2000112.7Y197 R207 E208 D212 S213 N225Y197-D210 HydrophobicContact CE1-CB 4.09Å; Y197-D210 VanDerWaalsContact CE1-CG 3.5Å; Y197-D210 WeakPolarHBondContact CE1-OD2 3.35Å; Y197-D210 WeakPolarHBondContact OH-CB 3.39Å; Y197-D210 PolarHBondContact OH-OD2 3.31Å; Y197-D210 VanDerWaalsContact OH-OD2 3.11Å; R207-D210 IonicContact CZ-OD2 3.31Å; R207-D210 VanDerWaalsContact NH1-CB 3.28Å; R207-D210 IonicContact NH1-OD2 3.92Å; R207-D210 WeakPolarHBondContact O-CB 3.42Å; R207-D210 PolarHBondContact O-N 2.91Å; E208-D210 VanDerWaalsContact C-N 3.27Å; D210-D212 PolarHBondContact O-N 3.27Å; D210-D212 VanDerWaalsContact O-N 3.14Å; D210-S213 PolarHBondContact O-N 3.24Å; D210-N225 PolarHBondContact O-ND2 3.14Å
211Y98.5Very high98.3Very high48 Ų4848.5 Ų48.519%0.18826%0.263CS..THydrogen-bonded Turntrans-61.8-25.7-17362.1-97.1000114.3S213 P227 C345 V349Y211-S213 VanDerWaalsContact C-N 3.3Å; Y211-S213 PolarHBondContact O-N 2.95Å; Y211-P227 HydrophobicContact CD1-CG 4.26Å; Y211-C345 HydrophobicContact CD1-CB 3.67Å; Y211-C345 HydrophobicContact CD2-CB 3.76Å; Y211-C345 HydrophobicContact CE1-CB 3.71Å; Y211-C345 HydrophobicContact CE2-CB 3.8Å; Y211-C345 HydrophobicContact CG-CB 3.72Å; Y211-V349 HydrophobicContact CD2-CG1 3.87Å; Y211-V349 HydrophobicContact CD2-CG2 4.16Å; Y211-V349 HydrophobicContact CE2-CG1 3.96Å; Y211-V349 WeakPolarHBondContact O-CG2 3.44Å
212D97.8Very high98.3Very high61 Ų6143.2 Ų43.233%0.32624%0.24SC..THydrogen-bonded Turntrans-84.1-2.7-175.665.5-17000113.8R207 D210 V214R207-D212 IonicContact CZ-OD1 3.34Å; R207-D212 IonicContact CZ-OD2 3.13Å; R207-D212 IonicContact NH1-OD1 3.86Å; R207-D212 PolarHBondContact NH1-OD1 3.09Å; R207-D212 IonicContact NH1-OD2 2.67Å; R207-D212 IonicContact NH2-OD1 3.11Å; R207-D212 PolarHBondContact NH2-OD1 3.02Å; R207-D212 IonicContact NH2-OD2 3.67Å; R207-D212 PolarHBondContact NH2-OD2 3.32Å; D210-D212 PolarHBondContact O-N 3.27Å; D210-D212 VanDerWaalsContact O-N 3.14Å; D212-V214 PolarHBondContact O-N 3.26Å
213S98.5Very high98.3Very high25 Ų2542.5 Ų42.518%0.17524%0.237CC..  trans-84.984.4171.1-62.10000110.3E208 D210 Y211 N223E208-S213 VanDerWaalsContact CA-OG 3.28Å; E208-S213 WeakPolarHBondContact CA-OG 3.49Å; E208-S213 WeakPolarHBondContact O-CB 3.46Å; E208-S213 PolarHBondContact O-OG 3.34Å; D210-S213 PolarHBondContact O-N 3.24Å; Y211-S213 VanDerWaalsContact C-N 3.3Å; Y211-S213 PolarHBondContact O-N 2.95Å; S213-N223 PolarHBondContact O-ND2 3.34Å
214V98.6Very high98.4Very high15 Ų1540 Ų409%0.09123%0.228CC..  trans-9610.3-170.2-59.20000114.3D212 A220 G221 N223 V349 Y353D212-V214 PolarHBondContact O-N 3.26Å; V214-A220 CarbonylContact O-C 3.56Å; V214-G221 PolarHBondContact O-N 3.08Å; V214-N223 WeakPolarHBondContact CA-O 3.5Å; V214-N223 PolarHBondContact O-N 3.17Å; V214-V349 HydrophobicContact CG1-CB 4.26Å; V214-V349 HydrophobicContact CG1-CG2 3.93Å; V214-Y353 HydrophobicContact CB-CE2 4.03Å; V214-Y353 HydrophobicContact CG1-CE2 4.34Å; V214-Y353 HydrophobicContact CG2-CE2 3.69Å; V214-Y353 WeakPolarHBondContact CG2-OH 3.29Å
215G98.4Very high98.4Very high16 Ų1639 Ų3917%0.16522%0.221CC..  trans97.1174-170.900000112.5E184E184-G215 CarbonylContact O-C 3.43Å; E184-G215 WeakPolarHBondContact O-CA 3.48Å
216K97.9Very high98.5Very high119 Ų11935.4 Ų35.452%0.51720%0.202SC..SBendtrans-127152.2-173.1-69.4177.6-175.4148.20111E184 D185 S218 G219 A220E184-K216 VanDerWaalsContact CD-CD 3.43Å; E184-K216 HydrophobicContact CG-CB 4.21Å; E184-K216 HydrophobicContact CG-CD 4.04Å; E184-K216 HydrophobicContact CG-CG 3.91Å; E184-K216 PolarHBondContact O-N 2.81Å; E184-K216 WeakPolarHBondContact OE1-CE 3.25Å; E184-K216 IonicContact OE1-NZ 3.44Å; E184-K216 PolarHBondContact OE1-NZ 2.86Å; E184-K216 WeakPolarHBondContact OE2-CD 3.31Å; E184-K216 VanDerWaalsContact OE2-CE 3.3Å; E184-K216 WeakPolarHBondContact OE2-CE 3.04Å; E184-K216 IonicContact OE2-NZ 2.84Å; E184-K216 PolarHBondContact OE2-NZ 3.05Å; D185-K216 WeakPolarHBondContact CA-O 3.32Å; K216-S218 PolarHBondContact O-N 2.94Å; K216-G219 WeakPolarHBondContact O-CA 3.32Å; K216-G219 PolarHBondContact O-N 3.42Å; K216-A220 PolarHBondContact O-N 2.71Å
217G97.9Very high98.5Very high71 Ų7133.5 Ų33.573%0.73219%0.192SC*.G310 helixtrans53.2-124.5174.200000112.5G219 A220G217-G219 VanDerWaalsContact C-N 3.3Å; G217-G219 PolarHBondContact O-N 3.45Å; G217-A220 PolarHBondContact O-N 3.37Å
218S97.6Very high98.5Very high83 Ų8329 Ų2958%0.5818%0.175SC*.G310 helixtrans-67-26.3176.337.80000114.2D185 P187 K216 A220D185-S218 PolarHBondContact O-OG 3.4Å; P187-S218 WeakPolarHBondContact CB-O 3.18Å; K216-S218 PolarHBondContact O-N 2.94Å; S218-A220 VanDerWaalsContact C-N 3.3Å; S218-A220 PolarHBondContact O-N 3.5Å
219G98.3Very high98.5Very high0 Ų027.1 Ų27.10%017%0.167CC..G310 helixtrans-820.417900000114.5D185 K216 G217 G221 F222D185-G219 PolarHBondContact O-N 3.37Å; K216-G219 WeakPolarHBondContact O-CA 3.32Å; K216-G219 PolarHBondContact O-N 3.42Å; G217-G219 VanDerWaalsContact C-N 3.3Å; G217-G219 PolarHBondContact O-N 3.45Å; G219-G221 PolarHBondContact O-N 3.32Å; G219-F222 WeakPolarHBondContact O-CB 3.26Å; G219-F222 PolarHBondContact O-N 2.68Å
220A98.5Very high98.5Very high27 Ų2732.5 Ų32.522%0.22319%0.192CC..THydrogen-bonded Turntrans-60124.4176.600000111.4V214 K216 G217 S218 Y353V214-A220 CarbonylContact O-C 3.56Å; K216-A220 PolarHBondContact O-N 2.71Å; G217-A220 PolarHBondContact O-N 3.37Å; S218-A220 VanDerWaalsContact C-N 3.3Å; S218-A220 PolarHBondContact O-N 3.5Å; A220-Y353 HydrophobicContact CB-CE1 4Å
221G98.3Very high98.5Very high0 Ų034 Ų340%020%0.202CC..THydrogen-bonded Turntrans97.8-17-171.500000114.6V214 G219 Q350 Y353 W354V214-G221 PolarHBondContact O-N 3.08Å; G219-G221 PolarHBondContact O-N 3.32Å; G221-Q350 PolarHBondContact O-OE1 2.83Å; G221-Y353 VanDerWaalsContact CA-CD2 3.49Å; G221-W354 WeakPolarHBondContact O-CZ2 3.23Å; G221-W354 PolarHBondContact O-NE1 3.31Å
222F98.8Very high98.5Very high53 Ų5333 Ų3323%0.23221%0.206CC..SBendtrans-97.48.7-176.2-63-93.9000113.6P187 L190 Y191 G219 F253 W354P187-F222 HydrophobicContact CB-CD2 3.76Å; P187-F222 HydrophobicContact CB-CE1 4.38Å; P187-F222 HydrophobicContact CB-CE2 3.59Å; P187-F222 HydrophobicContact CB-CG 4.23Å; P187-F222 HydrophobicContact CB-CZ 3.92Å; P187-F222 WeakPolarHBondContact O-CD1 3.49Å; P187-F222 WeakPolarHBondContact O-CE1 3.3Å; L190-F222 WeakPolarHBondContact CA-O 3.46Å; L190-F222 HydrophobicContact CB-CD1 4.41Å; L190-F222 HydrophobicContact CD1-CB 4.5Å; L190-F222 WeakPolarHBondContact CD1-O 3.45Å; Y191-F222 PolarHBondContact N-O 3.17Å; G219-F222 WeakPolarHBondContact O-CB 3.26Å; G219-F222 PolarHBondContact O-N 2.68Å; F222-F253 HydrophobicContact CD1-CD2 4.08Å; F222-F253 AromaticContact CD1-CE2 3.76Å; F222-F253 HydrophobicContact CD1-CE2 3.76Å; F222-F253 AromaticContact CE1-CD2 3.72Å; F222-F253 HydrophobicContact CE1-CD2 3.72Å; F222-F253 AromaticContact CE1-CE2 3.58Å; F222-F253 HydrophobicContact CE1-CE2 3.58Å; F222-W354 HydrophobicContact CD1-CH2 4.19Å; F222-W354 HydrophobicContact CD1-CZ2 4.14Å; F222-W354 AromaticContact CE1-CH2 3.91Å; F222-W354 HydrophobicContact CE1-CH2 3.91Å; F222-W354 HydrophobicContact CE1-CZ2 4.2Å
223N98.9Very high98.5Very high4 Ų430.1 Ų30.12%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-119.4123.5166.8-166.588.7000108.9Q180 Y191 S213 V214 N225 Q350Q180-N223 VanDerWaalsContact CG-OD1 3.26Å; Q180-N223 WeakPolarHBondContact CG-OD1 3.33Å; Q180-N223 PolarHBondContact OE1-ND2 2.67Å; Q180-N223 PolarHBondContact OE1-OD1 2.99Å; Y191-N223 VanDerWaalsContact CD1-OD1 3.3Å; Y191-N223 WeakPolarHBondContact CD1-OD1 3.41Å; Y191-N223 CarbonylContact O-C 3.5Å; Y191-N223 WeakPolarHBondContact O-CA 3.17Å; S213-N223 PolarHBondContact O-ND2 3.34Å; V214-N223 WeakPolarHBondContact CA-O 3.5Å; V214-N223 PolarHBondContact O-N 3.17Å; N223-N225 PolarHBondContact ND2-ND2 2.97Å; N223-N225 PolarHBondContact ND2-OD1 3.18Å; N223-Q350 PolarHBondContact O-NE2 3.22Å
224V98.9Very high98.4Very high2 Ų231.7 Ų31.71%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-127.2102.2-177-172.90000109.4L190 Y191 F192 S193 V245 V346 Q350L190-V224 HydrophobicContact CD1-CG2 4.03Å; Y191-V224 PolarHBondContact O-N 3.34Å; F192-V224 WeakPolarHBondContact CA-O 3.45Å; F192-V224 HydrophobicContact CD2-CB 4.02Å; F192-V224 HydrophobicContact CD2-CG1 3.83Å; F192-V224 HydrophobicContact CE2-CG1 4.29Å; S193-V224 PolarHBondContact N-O 3.16Å; V224-V245 HydrophobicContact CG1-CG1 3.9Å; V224-V346 HydrophobicContact CG1-CG1 3.83Å; V224-Q350 HydrophobicContact CG1-CG 4.31Å; V224-Q350 HydrophobicContact CG2-CG 4.47Å
225N98.9Very high98.4Very high1 Ų131.9 Ų31.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-97133.1174.8-70-24.1000110.9H175 Q180 S193 E208 S209 D210 N223 P227 V346H175-N225 PolarHBondContact NE2-OD1 2.82Å; H175-N225 VanDerWaalsContact NE2-OD1 3.16Å; Q180-N225 PolarHBondContact OE1-ND2 2.89Å; Q180-N225 PolarHBondContact OE1-OD1 3.34Å; S193-N225 CarbonylContact O-C 3.58Å; S193-N225 WeakPolarHBondContact O-CA 3.25Å; E208-N225 PolarHBondContact O-ND2 3.22Å; S209-N225 VanDerWaalsContact O-CB 3.31Å; S209-N225 WeakPolarHBondContact O-CB 3.3Å; S209-N225 PolarHBondContact O-ND2 2.84Å; D210-N225 PolarHBondContact O-ND2 3.14Å; N223-N225 PolarHBondContact ND2-ND2 2.97Å; N223-N225 PolarHBondContact ND2-OD1 3.18Å; N225-P227 WeakPolarHBondContact O-CD 3.26Å; N225-V346 WeakPolarHBondContact O-CG2 3.45Å
226V98.9Very high98.4Very high0 Ų031.2 Ų31.20%019%0.188CC..EExtended strand (participates in β ladder)trans-119.389.5173.9-170.80000109.2F192 S193 W194 H195 W228 V241 V346F192-V226 HydrophobicContact CE2-CG2 3.58Å; F192-V226 HydrophobicContact CZ-CG2 3.91Å; S193-V226 PolarHBondContact O-N 2.94Å; W194-V226 VanDerWaalsContact CA-O 3.26Å; W194-V226 WeakPolarHBondContact CA-O 3.31Å; W194-V226 HydrophobicContact CB-CB 4.03Å; H195-V226 PolarHBondContact N-O 2.86Å; V226-W228 HydrophobicContact CG1-CH2 4.25Å; V226-W228 HydrophobicContact CG1-CZ3 4.19Å; V226-W228 PolarHBondContact O-N 3.06Å; V226-V241 HydrophobicContact CB-CG1 4.45Å; V226-V241 HydrophobicContact CG1-CG1 4.21Å; V226-V241 HydrophobicContact CG1-CG2 3.88Å; V226-V241 HydrophobicContact CG2-CG1 3.94Å; V226-V346 HydrophobicContact CB-CG2 4.46Å; V226-V346 HydrophobicContact CG1-CG2 4.46Å; V226-V346 HydrophobicContact CG2-CG1 4.33Å; V226-V346 HydrophobicContact CG2-CG2 4.14Å
227P98.8Very high98.4Very high0 Ų025.7 Ų25.70%016%0.164CC..EExtended strand (participates in β ladder)trans-79.6120.9-175.829.4-33.5000111.7Y197 Y211 N225 N229 S342Y197-P227 VanDerWaalsContact CB-CB 3.47Å; Y197-P227 HydrophobicContact CD1-CB 3.47Å; Y197-P227 VanDerWaalsContact CD1-CB 3.47Å; Y197-P227 HydrophobicContact CD1-CG 4.31Å; Y197-P227 HydrophobicContact CE1-CB 4.29Å; Y197-P227 HydrophobicContact CG-CB 3.59Å; Y211-P227 HydrophobicContact CD1-CG 4.26Å; N225-P227 WeakPolarHBondContact O-CD 3.26Å; P227-N229 PolarHBondContact O-N 2.94Å; P227-N229 PolarHBondContact O-ND2 3.31Å; P227-S342 WeakPolarHBondContact O-CB 3.45Å; P227-S342 PolarHBondContact O-OG 3.13Å
228W98.8Very high98.5Very high0 Ų022.3 Ų22.30%013%0.13CC..EExtended strand (participates in β ladder)trans-78112170.8-55.8131.8000110.3W194 H195 Y197 E198 V226 E230 M233 D237 Y238 V241 M275 A339W194-W228 HydrophobicContact CB-CZ2 4.07Å; W194-W228 HydrophobicContact CD2-CZ2 4.1Å; W194-W228 AromaticContact CE3-CZ2 3.76Å; W194-W228 HydrophobicContact CE3-CZ2 3.76Å; W194-W228 HydrophobicContact CG-CZ2 4.28Å; W194-W228 AromaticContact CG-NE1 3.59Å; H195-W228 WeakPolarHBondContact O-CB 3.38Å; H195-W228 PolarHBondContact O-N 3.46Å; Y197-W228 PolarHBondContact N-O 2.78Å; E198-W228 PolarHBondContact N-O 3.29Å; V226-W228 HydrophobicContact CG1-CH2 4.25Å; V226-W228 HydrophobicContact CG1-CZ3 4.19Å; V226-W228 PolarHBondContact O-N 3.06Å; W228-E230 VanDerWaalsContact C-N 3.32Å; W228-M233 HydrophobicContact CB-CE 3.98Å; W228-M233 HydrophobicContact CB-CG 4.21Å; W228-M233 HydrophobicContact CD2-CE 4.27Å; W228-M233 HydrophobicContact CD2-CG 3.9Å; W228-M233 HydrophobicContact CD2-SD 4.22Å; W228-M233 HydrophobicContact CE3-CE 3.84Å; W228-M233 HydrophobicContact CE3-CG 4.19Å; W228-M233 HydrophobicContact CE3-SD 3.87Å; W228-M233 HydrophobicContact CG-CE 4.37Å; W228-M233 HydrophobicContact CG-CG 3.93Å; W228-M233 HydrophobicContact CZ3-SD 4.22Å; W228-D237 HydrophobicContact CH2-CB 4.31Å; W228-Y238 AromaticContact CZ2-CD1 3.91Å; W228-Y238 HydrophobicContact CZ2-CD1 3.91Å; W228-Y238 HydrophobicContact CZ2-CE1 4.07Å; W228-V241 HydrophobicContact CH2-CB 4.33Å; W228-V241 HydrophobicContact CH2-CG2 3.35Å; W228-V241 HydrophobicContact CZ2-CG2 4.12Å; W228-V241 HydrophobicContact CZ3-CG2 4.06Å; W228-M275 HydrophobicContact CB-CE 4.29Å; W228-A339 HydrophobicContact CE3-CB 4.42Å; W228-A339 HydrophobicContact CH2-CB 4.5Å; W228-A339 HydrophobicContact CZ3-CB 3.73Å
229N98.6Very high98.5Very high21 Ų2118.4 Ų18.411%0.11210%0.102CC..SBendtrans-88.5-0.2-177.9-73.1-59.7000114Y197 R199 P227Y197-N229 WeakPolarHBondContact CD1-OD1 3.35Å; R199-N229 WeakPolarHBondContact CA-OD1 3.45Å; R199-N229 HydrophobicContact CG-CB 4.29Å; R199-N229 VanDerWaalsContact CG-OD1 3.27Å; R199-N229 WeakPolarHBondContact CG-OD1 3.43Å; R199-N229 PolarHBondContact N-OD1 3.04Å; P227-N229 PolarHBondContact O-N 2.94Å; P227-N229 PolarHBondContact O-ND2 3.31Å
230E98.4Very high98.5Very high115 Ų11518.4 Ų18.454%0.53710%0.102SC..SBendtrans-137.9158.6169.9-67.6-172.9170.900109.6W228 M233 S338W228-E230 VanDerWaalsContact C-N 3.32Å; E230-M233 HydrophobicContact CB-CE 4.2Å; E230-M233 VanDerWaalsContact O-CE 3.32Å; E230-M233 WeakPolarHBondContact O-CE 3.26Å; E230-S338 WeakPolarHBondContact CG-OG 3.3Å; E230-S338 PolarHBondContact N-OG 3.04Å
231V98.6Very high98.5Very high54 Ų5417.2 Ų17.233%0.3279%0.092SC..SBendtrans-84.9172.4170-61.90000111R196 E274R196-V231 VanDerWaalsContact CZ-CG1 3.47Å; V231-E274 HydrophobicContact CB-CB 4.04Å; V231-E274 HydrophobicContact CG1-CB 4.02Å
232G97.9Very high98.5Very high25 Ų2517.2 Ų17.226%0.2589%0.092SC..  trans8019.3174.500000115E234 E274 M275G232-E234 PolarHBondContact O-N 3.16Å; G232-E274 PolarHBondContact N-O 2.91Å; G232-E274 VanDerWaalsContact N-O 3.12Å; G232-M275 PolarHBondContact N-SD 3.29Å
233M98.4Very high98.4Very high1 Ų114.7 Ų14.71%0.0058%0.081CC..  trans-54.7135.3172.8-61.2-65.5165.600110.5W228 E230 D237 Y238 M275 C276 A277 A339W228-M233 HydrophobicContact CB-CE 3.98Å; W228-M233 HydrophobicContact CB-CG 4.21Å; W228-M233 HydrophobicContact CD2-CE 4.27Å; W228-M233 HydrophobicContact CD2-CG 3.9Å; W228-M233 HydrophobicContact CD2-SD 4.22Å; W228-M233 HydrophobicContact CE3-CE 3.84Å; W228-M233 HydrophobicContact CE3-CG 4.19Å; W228-M233 HydrophobicContact CE3-SD 3.87Å; W228-M233 HydrophobicContact CG-CE 4.37Å; W228-M233 HydrophobicContact CG-CG 3.93Å; W228-M233 HydrophobicContact CZ3-SD 4.22Å; E230-M233 HydrophobicContact CB-CE 4.2Å; E230-M233 VanDerWaalsContact O-CE 3.32Å; E230-M233 WeakPolarHBondContact O-CE 3.26Å; M233-D237 WeakPolarHBondContact CA-OD2 3.37Å; M233-D237 HydrophobicContact CB-CB 4.22Å; M233-D237 HydrophobicContact SD-CB 4.08Å; M233-Y238 HydrophobicContact CB-CD1 4.42Å; M233-Y238 HydrophobicContact CB-CE1 3.78Å; M233-M275 HydrophobicContact CB-SD 3.73Å; M233-M275 HydrophobicContact CG-CE 4.46Å; M233-M275 HydrophobicContact CG-SD 3.74Å; M233-M275 PolarHBondContact N-SD 2.97Å; M233-C276 CarbonylContact O-C 3.53Å; M233-C276 WeakPolarHBondContact O-CA 3.24Å; M233-C276 PolarHBondContact O-N 3.19Å; M233-A277 PolarHBondContact O-N 2.84Å; M233-A277 VanDerWaalsContact O-N 3.08Å; M233-A339 HydrophobicContact SD-CB 3.94Å
234E97.6Very high98.3Very high58 Ų5814.6 Ų14.627%0.2718%0.08SC..  trans-106.8178.8-175.9-64.6-174.7167.600111.7G232 S236 D237 Y238 C276 R333G232-E234 PolarHBondContact O-N 3.16Å; E234-S236 PolarHBondContact O-N 2.88Å; E234-D237 PolarHBondContact N-OD2 3.41Å; E234-D237 PolarHBondContact O-N 3.5Å; E234-D237 VanDerWaalsContact O-N 3.13Å; E234-Y238 PolarHBondContact O-N 3.23Å; E234-C276 HydrophobicContact CG-CB 3.89Å; E234-R333 IonicContact OE1-CZ 3.37Å; E234-R333 IonicContact OE1-NH1 2.7Å; E234-R333 PolarHBondContact OE1-NH1 3.26Å; E234-R333 WeakPolarHBondContact OE2-CD 3.49Å; E234-R333 IonicContact OE2-NH1 3.24Å
235N98.1Very high98.3Very high20 Ų2014.5 Ų14.511%0.1078%0.08CC..Hα-helixtrans-54.2-36178.3-66.4-12.8000113.2L239 A277 T278 I281 L332N235-L239 WeakPolarHBondContact O-CB 3.5Å; N235-L239 WeakPolarHBondContact O-CG 3.45Å; N235-L239 PolarHBondContact O-N 2.88Å; N235-A277 VanDerWaalsContact OD1-CA 3.25Å; N235-A277 WeakPolarHBondContact OD1-CA 3.48Å; N235-T278 PolarHBondContact ND2-OG1 2.93Å; N235-T278 PolarHBondContact OD1-N 2.99Å; N235-I281 HydrophobicContact CB-CD1 3.99Å; N235-I281 HydrophobicContact CB-CG1 4.47Å; N235-L332 HydrophobicContact CB-CD2 3.62Å
236S98Very high98.3Very high1 Ų114.5 Ų14.51%0.0078%0.08CC..Hα-helixtrans-65.7-39.3179.2440000112.6E234 S240 R333E234-S236 PolarHBondContact O-N 2.88Å; S236-S240 VanDerWaalsContact O-CB 3.24Å; S236-S240 WeakPolarHBondContact O-CB 3.3Å; S236-S240 PolarHBondContact O-N 3.28Å; S236-S240 PolarHBondContact O-OG 3.42Å; S236-R333 WeakPolarHBondContact CB-O 3.44Å
237D98.6Very high98.2Very high4 Ų414.5 Ų14.52%0.0218%0.08CC..Hα-helixtrans-64.8-45.3178.3-57.5-53.7000110.4W228 M233 E234 S240 V241 P335 C336 A339W228-D237 HydrophobicContact CH2-CB 4.31Å; M233-D237 WeakPolarHBondContact CA-OD2 3.37Å; M233-D237 HydrophobicContact CB-CB 4.22Å; M233-D237 HydrophobicContact SD-CB 4.08Å; E234-D237 PolarHBondContact N-OD2 3.41Å; E234-D237 PolarHBondContact O-N 3.5Å; E234-D237 VanDerWaalsContact O-N 3.13Å; D237-S240 PolarHBondContact O-N 3.49Å; D237-V241 PolarHBondContact O-N 3.04Å; D237-V241 VanDerWaalsContact O-N 3.1Å; D237-P335 VanDerWaalsContact OD1-CA 3.24Å; D237-P335 WeakPolarHBondContact OD1-CA 3.05Å; D237-C336 PolarHBondContact OD1-N 3.38Å; D237-C336 PolarHBondContact OD1-SG 3.35Å; D237-A339 HydrophobicContact CB-CB 3.9Å; D237-A339 WeakPolarHBondContact OD1-CB 3.43Å
238Y98.7Very high98.1Very high0 Ų014.9 Ų14.90%08%0.082CC..Hα-helixtrans-64.4-49.1-179.9-75.713.6000111.7W194 W228 M233 E234 S240 V241 F242 S266 M275 A277 I281W194-Y238 HydrophobicContact CE3-CD1 4.18Å; W194-Y238 HydrophobicContact CE3-CG 4.37Å; W194-Y238 VanDerWaalsContact CH2-CB 3.43Å; W194-Y238 AromaticContact CH2-CD1 3.78Å; W194-Y238 HydrophobicContact CH2-CD1 3.78Å; W194-Y238 AromaticContact CH2-CD2 3.25Å; W194-Y238 HydrophobicContact CH2-CD2 3.25Å; W194-Y238 HydrophobicContact CH2-CE1 4.36Å; W194-Y238 AromaticContact CH2-CE2 3.92Å; W194-Y238 HydrophobicContact CH2-CE2 3.92Å; W194-Y238 AromaticContact CH2-CG 3.18Å; W194-Y238 HydrophobicContact CH2-CG 3.18Å; W194-Y238 HydrophobicContact CZ2-CD1 4.13Å; W194-Y238 AromaticContact CZ2-CD2 3.43Å; W194-Y238 HydrophobicContact CZ2-CD2 3.43Å; W194-Y238 VanDerWaalsContact CZ2-CD2 3.43Å; W194-Y238 HydrophobicContact CZ2-CE1 4.25Å; W194-Y238 AromaticContact CZ2-CE2 3.58Å; W194-Y238 HydrophobicContact CZ2-CE2 3.58Å; W194-Y238 AromaticContact CZ2-CG 3.75Å; W194-Y238 HydrophobicContact CZ2-CG 3.75Å; W194-Y238 AromaticContact CZ3-CD1 3.79Å; W194-Y238 HydrophobicContact CZ3-CD1 3.79Å; W194-Y238 HydrophobicContact CZ3-CD2 4.1Å; W194-Y238 AromaticContact CZ3-CG 3.54Å; W194-Y238 HydrophobicContact CZ3-CG 3.54Å; W228-Y238 AromaticContact CZ2-CD1 3.91Å; W228-Y238 HydrophobicContact CZ2-CD1 3.91Å; W228-Y238 HydrophobicContact CZ2-CE1 4.07Å; M233-Y238 HydrophobicContact CB-CD1 4.42Å; M233-Y238 HydrophobicContact CB-CE1 3.78Å; E234-Y238 PolarHBondContact O-N 3.23Å; Y238-S240 VanDerWaalsContact C-N 3.26Å; Y238-S240 PolarHBondContact O-N 3.14Å; Y238-V241 PolarHBondContact O-N 3.43Å; Y238-F242 WeakPolarHBondContact O-CD2 3.41Å; Y238-F242 PolarHBondContact O-N 3.18Å; Y238-S266 WeakPolarHBondContact OH-CB 3.42Å; Y238-S266 PolarHBondContact OH-O 2.85Å; Y238-M275 WeakPolarHBondContact OH-CG 3.44Å; Y238-A277 HydrophobicContact CD2-CB 3.65Å; Y238-A277 HydrophobicContact CE2-CB 3.34Å; Y238-A277 HydrophobicContact CG-CB 4.42Å; Y238-I281 HydrophobicContact CD2-CG1 4.1Å; Y238-I281 HydrophobicContact CD2-CG2 4.27Å
239L98.3Very high98.1Very high0 Ų015 Ų150%08%0.083CC..Hα-helixtrans-61.5-35.8176.2-74.5174.5000112.4N235 F242 C243 I281 H284 L288 L329 L332 Y574 M665N235-L239 WeakPolarHBondContact O-CB 3.5Å; N235-L239 WeakPolarHBondContact O-CG 3.45Å; N235-L239 PolarHBondContact O-N 2.88Å; L239-F242 PolarHBondContact O-N 2.88Å; L239-C243 WeakPolarHBondContact O-CB 3.22Å; L239-C243 PolarHBondContact O-N 2.87Å; L239-C243 PolarHBondContact O-SG 2.9Å; L239-I281 HydrophobicContact CD1-CD1 4.31Å; L239-I281 HydrophobicContact CD2-CD1 4.04Å; L239-I281 HydrophobicContact CG-CD1 3.79Å; L239-H284 HydrophobicContact CD2-CB 4.37Å; L239-L288 HydrophobicContact CD2-CD1 4.24Å; L239-L329 HydrophobicContact CD1-CD1 3.74Å; L239-L332 HydrophobicContact CD1-CD1 3.65Å; L239-L332 HydrophobicContact CD1-CD2 4.16Å; L239-Y574 HydrophobicContact CD1-CD1 3.43Å; L239-Y574 VanDerWaalsContact CD1-CD1 3.43Å; L239-Y574 HydrophobicContact CD1-CD2 4.36Å; L239-Y574 HydrophobicContact CD1-CE1 3.73Å; L239-Y574 HydrophobicContact CD1-CG 3.78Å; L239-Y574 HydrophobicContact CD2-CD1 4.26Å; L239-Y574 HydrophobicContact CD2-CD2 4.42Å; L239-Y574 HydrophobicContact CD2-CE1 3.75Å; L239-Y574 HydrophobicContact CD2-CE2 3.99Å; L239-Y574 HydrophobicContact CG-CD1 4.47Å; L239-Y574 HydrophobicContact CG-CE1 4.41Å; L239-M665 HydrophobicContact CB-CE 3.67Å; L239-M665 HydrophobicContact CD1-CE 4.4Å
240S97.9Very high98Very high1 Ų114 Ų141%0.0078%0.078CC..Hα-helixtrans-67.1-41.6-179.9-66.10000111.8S236 D237 Y238 F242 C243 H244 P335 M665S236-S240 VanDerWaalsContact O-CB 3.24Å; S236-S240 WeakPolarHBondContact O-CB 3.3Å; S236-S240 PolarHBondContact O-N 3.28Å; S236-S240 PolarHBondContact O-OG 3.42Å; D237-S240 PolarHBondContact O-N 3.49Å; Y238-S240 VanDerWaalsContact C-N 3.26Å; Y238-S240 PolarHBondContact O-N 3.14Å; S240-F242 VanDerWaalsContact C-N 3.33Å; S240-C243 PolarHBondContact O-N 3.35Å; S240-H244 VanDerWaalsContact O-CB 3.27Å; S240-H244 WeakPolarHBondContact O-CB 3.38Å; S240-H244 PolarHBondContact O-CD2 3Å; S240-H244 PolarHBondContact O-N 3.01Å; S240-P335 WeakPolarHBondContact OG-CG 3Å; S240-M665 WeakPolarHBondContact OG-CE 3.32Å
241V98.4Very high97.9Very high1 Ų18.9 Ų8.91%0.0065%0.054CC..Hα-helixtrans-65.1-39.2172.9170.10000111.6F192 W194 V226 W228 D237 Y238 V245 L246 L343F192-V241 HydrophobicContact CE2-CG1 3.89Å; F192-V241 HydrophobicContact CZ-CG1 3.49Å; F192-V241 VanDerWaalsContact CZ-CG1 3.49Å; W194-V241 HydrophobicContact CE3-CG1 4.32Å; V226-V241 HydrophobicContact CB-CG1 4.45Å; V226-V241 HydrophobicContact CG1-CG1 4.21Å; V226-V241 HydrophobicContact CG1-CG2 3.88Å; V226-V241 HydrophobicContact CG2-CG1 3.94Å; W228-V241 HydrophobicContact CH2-CB 4.33Å; W228-V241 HydrophobicContact CH2-CG2 3.35Å; W228-V241 HydrophobicContact CZ2-CG2 4.12Å; W228-V241 HydrophobicContact CZ3-CG2 4.06Å; D237-V241 PolarHBondContact O-N 3.04Å; D237-V241 VanDerWaalsContact O-N 3.1Å; Y238-V241 PolarHBondContact O-N 3.43Å; V241-V245 HydrophobicContact CG1-CB 4.45Å; V241-V245 WeakPolarHBondContact O-CA 3.37Å; V241-V245 WeakPolarHBondContact O-CB 3.27Å; V241-V245 PolarHBondContact O-N 3.45Å; V241-L246 PolarHBondContact O-N 3.48Å; V241-L343 HydrophobicContact CG2-CD1 4.32Å
242F98.6Very high97.8Very high0 Ų08 Ų80%05%0.046CC..Iπ-helixtrans-61.4-50174.8-92.4-121.2000111.9V169 W194 Y238 L239 S240 L246 L247 L285 L288 L289V169-F242 HydrophobicContact CG1-CZ 4.32Å; W194-F242 HydrophobicContact CE3-CE2 4.34Å; W194-F242 HydrophobicContact CH2-CD2 4.26Å; W194-F242 AromaticContact CH2-CE2 3.76Å; W194-F242 HydrophobicContact CH2-CE2 3.76Å; W194-F242 AromaticContact CZ3-CD2 3.77Å; W194-F242 HydrophobicContact CZ3-CD2 3.77Å; W194-F242 AromaticContact CZ3-CE2 3.57Å; W194-F242 HydrophobicContact CZ3-CE2 3.57Å; Y238-F242 WeakPolarHBondContact O-CD2 3.41Å; Y238-F242 PolarHBondContact O-N 3.18Å; L239-F242 PolarHBondContact O-N 2.88Å; S240-F242 VanDerWaalsContact C-N 3.33Å; F242-L246 HydrophobicContact CD1-CD2 4.03Å; F242-L246 HydrophobicContact CD2-CD2 4.06Å; F242-L246 HydrophobicContact CE1-CD2 3.74Å; F242-L246 HydrophobicContact CE2-CD2 3.76Å; F242-L246 HydrophobicContact CG-CD2 4.19Å; F242-L246 HydrophobicContact CZ-CD2 3.59Å; F242-L247 VanDerWaalsContact O-CB 3.28Å; F242-L247 WeakPolarHBondContact O-CB 3.22Å; F242-L247 VanDerWaalsContact O-CG 3.26Å; F242-L247 WeakPolarHBondContact O-CG 3.44Å; F242-L247 PolarHBondContact O-N 3.12Å; F242-L285 HydrophobicContact CD1-CD2 3.87Å; F242-L285 HydrophobicContact CD2-CD2 3.8Å; F242-L285 HydrophobicContact CE1-CB 3.78Å; F242-L285 HydrophobicContact CE1-CD2 3.81Å; F242-L285 HydrophobicContact CE1-CG 4.29Å; F242-L285 HydrophobicContact CE2-CD1 4.26Å; F242-L285 HydrophobicContact CE2-CD2 3.75Å; F242-L285 HydrophobicContact CE2-CG 4.39Å; F242-L285 HydrophobicContact CG-CD2 3.87Å; F242-L285 HydrophobicContact CZ-CB 3.82Å; F242-L285 HydrophobicContact CZ-CD1 4.15Å; F242-L285 HydrophobicContact CZ-CD2 3.75Å; F242-L285 HydrophobicContact CZ-CG 4.08Å; F242-L288 HydrophobicContact CB-CD1 4.35Å; F242-L288 HydrophobicContact CD1-CB 4.33Å; F242-L288 HydrophobicContact CD1-CD1 3.98Å; F242-L289 HydrophobicContact CE1-CD1 4.36Å; F242-L289 HydrophobicContact CE1-CD2 4.26Å; F242-L289 HydrophobicContact CE1-CG 4.12Å
243C97.6Very high97.8Very high0 Ų07.3 Ų7.30%04%0.036CC..Iπ-helixtrans-70.3-39.5-176.9-64.30000112.8L239 S240 P248 P571L239-C243 WeakPolarHBondContact O-CB 3.22Å; L239-C243 PolarHBondContact O-N 2.87Å; L239-C243 PolarHBondContact O-SG 2.9Å; S240-C243 PolarHBondContact O-N 3.35Å; C243-P248 WeakPolarHBondContact O-CD 3.22Å; C243-P248 WeakPolarHBondContact O-CG 3.19Å; C243-P571 HydrophobicContact CB-CG 3.94Å
244H97.2Very high97.7Very high2 Ų28.3 Ų8.31%0.0094%0.042CC..Iπ-helixtrans-103.6-6.6-168.4-55.8-57000114.3S240 L343 R347 R656 M665 T668S240-H244 VanDerWaalsContact O-CB 3.27Å; S240-H244 WeakPolarHBondContact O-CB 3.38Å; S240-H244 PolarHBondContact O-CD2 3Å; S240-H244 PolarHBondContact O-N 3.01Å; H244-L343 HydrophobicContact CB-CD1 4.03Å; H244-L343 HydrophobicContact CB-CD2 4.38Å; H244-L343 HydrophobicContact CB-CG 4.46Å; H244-R347 PolarHBondContact O-NH1 3.31Å; H244-R656 PolarHBondContact CE1-NH1 3.23Å; H244-R656 VanDerWaalsContact CE1-NH1 3.33Å; H244-R656 PolarHBondContact ND1-NH1 3.45Å; H244-M665 PolarHBondContact NE2-O 2.83Å; H244-T668 HydrophobicContact CB-CG2 4.04Å
245V98Very high97.7Very high0 Ų05.7 Ų5.70%03%0.03CC..Iπ-helixtrans-131.1-67.8177-175.80000111.2F192 V224 V241 P248 V249 L343 V346 R347F192-V245 HydrophobicContact CE2-CG1 4.34Å; V224-V245 HydrophobicContact CG1-CG1 3.9Å; V241-V245 HydrophobicContact CG1-CB 4.45Å; V241-V245 WeakPolarHBondContact O-CA 3.37Å; V241-V245 WeakPolarHBondContact O-CB 3.27Å; V241-V245 PolarHBondContact O-N 3.45Å; V245-P248 WeakPolarHBondContact O-CD 3.28Å; V245-V249 WeakPolarHBondContact O-CB 3.42Å; V245-V249 VanDerWaalsContact O-CG2 3.27Å; V245-V249 WeakPolarHBondContact O-CG2 3.34Å; V245-V249 PolarHBondContact O-N 3.27Å; V245-L343 HydrophobicContact CG2-CG 4.25Å; V245-V346 HydrophobicContact CG1-CG1 3.76Å; V245-V346 HydrophobicContact CG2-CG1 4.36Å; V245-R347 HydrophobicContact CG2-CG 3.96Å
246L98.6Very high97.7Very high2 Ų26.8 Ų6.81%0.014%0.036CC..Iπ-helixtrans-66.6-53.7-166.617358.3000112.7L167 V169 F192 V241 F242 V249 A250 L289L167-L246 HydrophobicContact CD1-CD1 4.39Å; V169-L246 HydrophobicContact CG1-CD2 3.78Å; V169-L246 HydrophobicContact CG2-CD1 4.22Å; V169-L246 HydrophobicContact CG2-CD2 4.18Å; F192-L246 HydrophobicContact CB-CD1 3.87Å; F192-L246 HydrophobicContact CD1-CD1 4.13Å; F192-L246 HydrophobicContact CD1-CD2 3.98Å; F192-L246 HydrophobicContact CD2-CB 4.1Å; F192-L246 HydrophobicContact CD2-CD1 3.94Å; F192-L246 HydrophobicContact CD2-CG 4.46Å; F192-L246 HydrophobicContact CE1-CD2 4Å; F192-L246 HydrophobicContact CE2-CB 3.93Å; F192-L246 HydrophobicContact CG-CD1 3.7Å; F192-L246 HydrophobicContact CG-CD2 4.36Å; F192-L246 HydrophobicContact CG-CG 4.4Å; F192-L246 HydrophobicContact CZ-CB 4.2Å; F192-L246 HydrophobicContact CZ-CD2 4.4Å; V241-L246 PolarHBondContact O-N 3.48Å; F242-L246 HydrophobicContact CD1-CD2 4.03Å; F242-L246 HydrophobicContact CD2-CD2 4.06Å; F242-L246 HydrophobicContact CE1-CD2 3.74Å; F242-L246 HydrophobicContact CE2-CD2 3.76Å; F242-L246 HydrophobicContact CG-CD2 4.19Å; F242-L246 HydrophobicContact CZ-CD2 3.59Å; L246-V249 PolarHBondContact O-N 2.88Å; L246-A250 HydrophobicContact CD1-CB 4.41Å; L246-A250 WeakPolarHBondContact O-CB 3.34Å; L246-A250 PolarHBondContact O-N 2.94Å; L246-L289 HydrophobicContact CD2-CD2 4.23Å
247L98.1Very high97.7Very high0 Ų06.7 Ų6.70%04%0.036CC..Hα-helixtrans-63-45.3-176.9-64.7171.9000112.4F242 V249 A250 Y251 L288 F566 L570F242-L247 VanDerWaalsContact O-CB 3.28Å; F242-L247 WeakPolarHBondContact O-CB 3.22Å; F242-L247 VanDerWaalsContact O-CG 3.26Å; F242-L247 WeakPolarHBondContact O-CG 3.44Å; F242-L247 PolarHBondContact O-N 3.12Å; L247-V249 VanDerWaalsContact C-N 3.33Å; L247-V249 PolarHBondContact O-N 3.47Å; L247-A250 PolarHBondContact O-N 3.31Å; L247-Y251 HydrophobicContact CD2-CE2 4.25Å; L247-Y251 VanDerWaalsContact O-CD2 3.24Å; L247-Y251 WeakPolarHBondContact O-CD2 3.32Å; L247-Y251 PolarHBondContact O-N 3.32Å; L247-L288 HydrophobicContact CD1-CB 4.18Å; L247-L288 HydrophobicContact CD1-CD1 4.2Å; L247-L288 HydrophobicContact CD1-CD2 3.97Å; L247-L288 HydrophobicContact CD1-CG 4.33Å; L247-L288 HydrophobicContact CD2-CB 4.11Å; L247-F566 HydrophobicContact CB-CD1 4.1Å; L247-F566 HydrophobicContact CB-CD2 4.26Å; L247-F566 HydrophobicContact CB-CE1 4.05Å; L247-F566 HydrophobicContact CB-CE2 4.16Å; L247-F566 HydrophobicContact CB-CG 4.24Å; L247-F566 HydrophobicContact CB-CZ 4.11Å; L247-F566 HydrophobicContact CD1-CD1 4.28Å; L247-F566 HydrophobicContact CD1-CE1 4.28Å; L247-L570 HydrophobicContact CD1-CD1 4.19Å
248P95.9Very high97.7Very high8 Ų86.5 Ų6.55%0.0524%0.035CC..Hα-helixtrans-52.9-50.8173.5-27.233.8000112.5C243 V245 E252 I356 L357 F566C243-P248 WeakPolarHBondContact O-CD 3.22Å; C243-P248 WeakPolarHBondContact O-CG 3.19Å; V245-P248 WeakPolarHBondContact O-CD 3.28Å; P248-E252 PolarHBondContact O-N 3.1Å; P248-E252 VanDerWaalsContact O-N 3.14Å; P248-I356 HydrophobicContact CB-CB 4.48Å; P248-I356 HydrophobicContact CB-CD1 3.87Å; P248-I356 HydrophobicContact CB-CG1 4.13Å; P248-I356 HydrophobicContact CB-CG2 3.58Å; P248-L357 HydrophobicContact CB-CD2 4.22Å; P248-F566 HydrophobicContact CB-CD2 4.39Å; P248-F566 HydrophobicContact CG-CB 4.09Å; P248-F566 HydrophobicContact CG-CD2 4.04Å; P248-F566 HydrophobicContact CG-CG 4.4Å
249V97.6Very high97.7Very high2 Ų26.6 Ų6.61%0.0124%0.035CC..Hα-helixtrans-65.1-43.2-178.9169.60000111.5L190 V245 L246 L247 Y251 E252 F253 W354 L357L190-V249 HydrophobicContact CD1-CG1 4.25Å; L190-V249 HydrophobicContact CD2-CG1 3.61Å; V245-V249 WeakPolarHBondContact O-CB 3.42Å; V245-V249 VanDerWaalsContact O-CG2 3.27Å; V245-V249 WeakPolarHBondContact O-CG2 3.34Å; V245-V249 PolarHBondContact O-N 3.27Å; L246-V249 PolarHBondContact O-N 2.88Å; L247-V249 VanDerWaalsContact C-N 3.33Å; L247-V249 PolarHBondContact O-N 3.47Å; V249-Y251 PolarHBondContact O-N 2.89Å; V249-E252 PolarHBondContact O-N 2.7Å; V249-F253 VanDerWaalsContact O-CB 3.32Å; V249-F253 WeakPolarHBondContact O-CB 3.42Å; V249-F253 PolarHBondContact O-N 3.23Å; V249-W354 HydrophobicContact CB-CD2 4.28Å; V249-W354 HydrophobicContact CG1-CD2 3.65Å; V249-W354 VanDerWaalsContact CG1-CE2 3.44Å; V249-W354 HydrophobicContact CG1-CE3 3.96Å; V249-W354 HydrophobicContact CG1-CG 4.27Å; V249-W354 HydrophobicContact CG1-CH2 3.89Å; V249-W354 HydrophobicContact CG1-CZ2 3.58Å; V249-W354 HydrophobicContact CG1-CZ3 4.07Å; V249-W354 HydrophobicContact CG2-CB 4.26Å; V249-W354 HydrophobicContact CG2-CD2 4.04Å; V249-W354 HydrophobicContact CG2-CG 3.8Å; V249-L357 HydrophobicContact CG2-CD1 3.67Å; V249-L357 HydrophobicContact CG2-CG 4.27Å
250A97.9Very high97.8Very high0 Ų06.6 Ų6.60%04%0.035CC..Hα-helixtrans-66.2-37.2-17900000113L167 L246 L247 F253 C254 P255 L292L167-A250 HydrophobicContact CD2-CB 3.72Å; L246-A250 HydrophobicContact CD1-CB 4.41Å; L246-A250 WeakPolarHBondContact O-CB 3.34Å; L246-A250 PolarHBondContact O-N 2.94Å; L247-A250 PolarHBondContact O-N 3.31Å; A250-F253 PolarHBondContact O-N 3.39Å; A250-C254 PolarHBondContact O-N 3.43Å; A250-P255 WeakPolarHBondContact O-CD 3.3Å; A250-L292 HydrophobicContact CB-CD1 3.73Å; A250-L292 HydrophobicContact CB-CD2 4.2Å
251Y96.5Very high97.8Very high8 Ų86.6 Ų6.63%0.0314%0.035CC..Hα-helixtrans-72.4-35.5175.8-85.7-106.1000112L247 V249 C254 N291 L292 I562 F566 Q598 L638 L641L247-Y251 HydrophobicContact CD2-CE2 4.25Å; L247-Y251 VanDerWaalsContact O-CD2 3.24Å; L247-Y251 WeakPolarHBondContact O-CD2 3.32Å; L247-Y251 PolarHBondContact O-N 3.32Å; V249-Y251 PolarHBondContact O-N 2.89Å; Y251-C254 PolarHBondContact O-N 2.98Å; Y251-N291 VanDerWaalsContact OH-CB 3.31Å; Y251-N291 WeakPolarHBondContact OH-CB 3.45Å; Y251-L292 HydrophobicContact CD1-CD2 4.47Å; Y251-L292 HydrophobicContact CD2-CD2 3.42Å; Y251-L292 VanDerWaalsContact CD2-CD2 3.42Å; Y251-L292 HydrophobicContact CD2-CG 4.48Å; Y251-L292 HydrophobicContact CE1-CD2 4.47Å; Y251-L292 HydrophobicContact CE2-CD2 3.41Å; Y251-L292 VanDerWaalsContact CE2-CD2 3.41Å; Y251-L292 HydrophobicContact CE2-CG 4.1Å; Y251-L292 HydrophobicContact CG-CD2 4Å; Y251-I562 HydrophobicContact CD1-CD1 4.07Å; Y251-I562 HydrophobicContact CD1-CG1 4.08Å; Y251-I562 HydrophobicContact CE1-CD1 4.04Å; Y251-I562 HydrophobicContact CG-CG1 4.44Å; Y251-F566 HydrophobicContact CD1-CE2 4.28Å; Y251-F566 AromaticContact CD1-CZ 3.97Å; Y251-F566 HydrophobicContact CD1-CZ 3.97Å; Y251-F566 HydrophobicContact CD2-CE1 4.39Å; Y251-F566 AromaticContact CD2-CE2 3.58Å; Y251-F566 HydrophobicContact CD2-CE2 3.58Å; Y251-F566 AromaticContact CD2-CZ 3.28Å; Y251-F566 HydrophobicContact CD2-CZ 3.28Å; Y251-F566 AromaticContact CE1-CZ 3.98Å; Y251-F566 HydrophobicContact CE1-CZ 3.98Å; Y251-F566 HydrophobicContact CE2-CE1 4.09Å; Y251-F566 HydrophobicContact CE2-CE2 4.11Å; Y251-F566 AromaticContact CE2-CZ 3.32Å; Y251-F566 HydrophobicContact CE2-CZ 3.32Å; Y251-F566 AromaticContact CG-CE2 3.67Å; Y251-F566 HydrophobicContact CG-CE2 3.67Å; Y251-F566 AromaticContact CG-CZ 3.62Å; Y251-F566 HydrophobicContact CG-CZ 3.62Å; Y251-F566 AromaticContact CZ-CZ 3.66Å; Y251-Q598 PolarHBondContact OH-OE1 2.83Å; Y251-L638 HydrophobicContact CD1-CD1 3.92Å; Y251-L638 HydrophobicContact CE1-CD1 4.25Å; Y251-L641 WeakPolarHBondContact O-CD1 3.47Å
252E95.8Very high97.8Very high35 Ų356.5 Ų6.516%0.1644%0.035CC..Hα-helixtrans-66.8-39.4171-173172.5168.900111.4P248 V249 C254 W354 S355 I356P248-E252 PolarHBondContact O-N 3.1Å; P248-E252 VanDerWaalsContact O-N 3.14Å; V249-E252 PolarHBondContact O-N 2.7Å; E252-C254 VanDerWaalsContact C-N 3.33Å; E252-C254 PolarHBondContact O-N 3.42Å; E252-W354 HydrophobicContact CB-CE3 3.97Å; E252-W354 HydrophobicContact CB-CZ3 4.17Å; E252-W354 HydrophobicContact CG-CE3 3.91Å; E252-W354 HydrophobicContact CG-CZ3 4.18Å; E252-S355 VanDerWaalsContact CD-N 3.31Å; E252-S355 WeakPolarHBondContact OE1-CA 3.34Å; E252-S355 WeakPolarHBondContact OE1-CB 3.42Å; E252-S355 PolarHBondContact OE1-N 2.82Å; E252-S355 PolarHBondContact OE1-OG 2.95Å; E252-S355 PolarHBondContact OE2-N 3.21Å; E252-I356 VanDerWaalsContact OE2-CB 3.28Å; E252-I356 WeakPolarHBondContact OE2-CB 3.49Å; E252-I356 VanDerWaalsContact OE2-CG2 3.25Å; E252-I356 WeakPolarHBondContact OE2-CG2 3.47Å; E252-I356 PolarHBondContact OE2-N 3.22Å
253F97.1Very high97.9Very high11 Ų116.5 Ų6.55%0.0484%0.035CC..Hα-helixtrans-68.1-30.4176-175-118.6000113.2R165 V166 L167 L190 F222 V249 A250 P255 W354R165-F253 HydrophobicContact CB-CD1 4.47Å; R165-F253 HydrophobicContact CB-CE1 3.78Å; R165-F253 HydrophobicContact CB-CE2 4.17Å; R165-F253 HydrophobicContact CB-CZ 3.62Å; R165-F253 WeakPolarHBondContact CD-O 3.23Å; R165-F253 HydrophobicContact CG-CE2 4.1Å; R165-F253 HydrophobicContact CG-CZ 4.02Å; R165-F253 PolarHBondContact NE-O 2.77Å; V166-F253 WeakPolarHBondContact O-CE1 3.11Å; L167-F253 HydrophobicContact CB-CD1 4.4Å; L167-F253 HydrophobicContact CB-CE1 4.39Å; L190-F253 HydrophobicContact CB-CD1 3.76Å; L190-F253 HydrophobicContact CB-CD2 4.21Å; L190-F253 HydrophobicContact CB-CE1 3.58Å; L190-F253 HydrophobicContact CB-CE2 4.05Å; L190-F253 HydrophobicContact CB-CG 4.07Å; L190-F253 HydrophobicContact CB-CZ 3.72Å; L190-F253 HydrophobicContact CD2-CB 3.83Å; L190-F253 HydrophobicContact CD2-CD1 3.84Å; L190-F253 HydrophobicContact CD2-CD2 4.45Å; L190-F253 HydrophobicContact CD2-CG 3.79Å; L190-F253 HydrophobicContact CG-CD1 4.47Å; F222-F253 HydrophobicContact CD1-CD2 4.08Å; F222-F253 AromaticContact CD1-CE2 3.76Å; F222-F253 HydrophobicContact CD1-CE2 3.76Å; F222-F253 AromaticContact CE1-CD2 3.72Å; F222-F253 HydrophobicContact CE1-CD2 3.72Å; F222-F253 AromaticContact CE1-CE2 3.58Å; F222-F253 HydrophobicContact CE1-CE2 3.58Å; V249-F253 VanDerWaalsContact O-CB 3.32Å; V249-F253 WeakPolarHBondContact O-CB 3.42Å; V249-F253 PolarHBondContact O-N 3.23Å; A250-F253 PolarHBondContact O-N 3.39Å; F253-P255 HydrophobicContact CD1-CB 3.97Å; F253-P255 HydrophobicContact CD1-CG 4.48Å; F253-P255 HydrophobicContact CE1-CB 4.11Å; F253-W354 HydrophobicContact CB-CH2 3.8Å; F253-W354 HydrophobicContact CB-CZ3 3.89Å; F253-W354 AromaticContact CD2-CH2 3.93Å; F253-W354 HydrophobicContact CD2-CH2 3.93Å; F253-W354 HydrophobicContact CG-CH2 4.22Å
254C96.7Very high97.9Very high21 Ų216.5 Ų6.514%0.1424%0.035CC..  trans49.465.9178.8-168.70000112.7R165 A250 Y251 E252 L638R165-C254 VanDerWaalsContact CZ-O 3.27Å; R165-C254 PolarHBondContact NE-O 3.26Å; R165-C254 PolarHBondContact NH2-O 3.1Å; A250-C254 PolarHBondContact O-N 3.43Å; Y251-C254 PolarHBondContact O-N 2.98Å; E252-C254 VanDerWaalsContact C-N 3.33Å; E252-C254 PolarHBondContact O-N 3.42Å; C254-L638 PolarHBondContact SG-O 3.05Å
255P97.8Very high98Very high3 Ų36.4 Ų6.42%0.0193%0.034CC..  trans-67148.6-174.128.1-35.8000112.5L167 A250 F253 V258 L292 A293L167-P255 HydrophobicContact CB-CB 3.7Å; L167-P255 HydrophobicContact CB-CG 3.9Å; L167-P255 HydrophobicContact CD2-CG 4.23Å; A250-P255 WeakPolarHBondContact O-CD 3.3Å; F253-P255 HydrophobicContact CD1-CB 3.97Å; F253-P255 HydrophobicContact CD1-CG 4.48Å; F253-P255 HydrophobicContact CE1-CB 4.11Å; P255-V258 HydrophobicContact CG-CG2 4.11Å; P255-L292 HydrophobicContact CG-CB 4.26Å; P255-A293 VanDerWaalsContact O-CA 3.28Å; P255-A293 WeakPolarHBondContact O-CA 3.43Å; P255-A293 VanDerWaalsContact O-CB 3.29Å; P255-A293 WeakPolarHBondContact O-CB 3.36Å
256D97.9Very high98Very high43 Ų436.4 Ų6.423%0.233%0.034CC..SBendtrans-81.9-26170.2-55.1-45.4000111.6A163 E164 R165 K296A163-D256 HydrophobicContact CB-CB 4.49Å; E164-D256 WeakPolarHBondContact CA-OD2 3.32Å; E164-D256 WeakPolarHBondContact CB-OD2 3.37Å; E164-D256 PolarHBondContact N-OD2 3.19Å; R165-D256 IonicContact CZ-OD1 3.54Å; R165-D256 PolarHBondContact N-OD2 3.42Å; R165-D256 IonicContact NH2-OD1 3.91Å; R165-D256 PolarHBondContact NH2-OD1 2.98Å; R165-D256 IonicContact NH2-OD2 2.74Å; R165-D256 PolarHBondContact O-N 3.49Å; D256-K296 WeakPolarHBondContact O-CE 3.49Å; D256-K296 PolarHBondContact O-NZ 2.98Å
257L98.8Very high98Very high0 Ų06.3 Ų6.30%03%0.034CC..EExtended strand (participates in β ladder)trans-145.7139.3179.6175.964.3000109.9V114 V117 M118 A157 R165 L167 L259 K296V114-L257 HydrophobicContact CG1-CD2 4.45Å; V114-L257 HydrophobicContact CG2-CD2 4.37Å; V117-L257 HydrophobicContact CG1-CD1 4.27Å; M118-L257 HydrophobicContact CG-CD2 4.48Å; M118-L257 HydrophobicContact SD-CB 4.11Å; M118-L257 HydrophobicContact SD-CD1 4.01Å; M118-L257 HydrophobicContact SD-CD2 4.19Å; M118-L257 HydrophobicContact SD-CG 4.34Å; A157-L257 HydrophobicContact CB-CD2 3.6Å; R165-L257 PolarHBondContact O-N 3.02Å; L167-L257 PolarHBondContact N-O 3.4Å; L257-L259 HydrophobicContact CD2-CD2 3.88Å; L257-L259 HydrophobicContact CD2-CG 4.24Å; L257-L259 HydrophobicContact CG-CD2 4.14Å; L257-L259 HydrophobicContact CG-CG 4.36Å; L257-K296 HydrophobicContact CD1-CB 4.25Å
258V98.9Very high98Very high0 Ų07.6 Ų7.60%04%0.04CC..EExtended strand (participates in β ladder)trans-107.5124.7168.8-175.10000109.4L167 V169 P255 V260 L292 A293 K296 L297 C298L167-V258 HydrophobicContact CB-CG2 4.44Å; L167-V258 HydrophobicContact CD2-CG1 4.31Å; L167-V258 HydrophobicContact CD2-CG2 4.22Å; L167-V258 HydrophobicContact CG-CG1 4.44Å; L167-V258 CarbonylContact O-C 3.49Å; L167-V258 WeakPolarHBondContact O-CA 3.25Å; V169-V258 HydrophobicContact CG2-CG1 4.33Å; P255-V258 HydrophobicContact CG-CG2 4.11Å; V258-V260 HydrophobicContact CG1-CG2 4.24Å; V258-L292 HydrophobicContact CG2-CB 3.89Å; V258-L292 HydrophobicContact CG2-CD1 4.27Å; V258-A293 HydrophobicContact CG2-CB 4.07Å; V258-K296 PolarHBondContact N-O 3.14Å; V258-L297 HydrophobicContact CB-CG 4.4Å; V258-L297 HydrophobicContact CG1-CG 4.4Å; V258-L297 CarbonylContact O-C 3.59Å; V258-L297 WeakPolarHBondContact O-CA 3.4Å; V258-C298 PolarHBondContact O-N 3.44Å
259L99Very high98.1Very high1 Ų17.9 Ų7.91%0.0055%0.045CC..EExtended strand (participates in β ladder)trans-106.8138.5167.9-59.4177.8000108.4V114 V150 A153 A154 V166 L167 I168 V169 L257 C298V114-L259 HydrophobicContact CG2-CD2 4.05Å; V150-L259 HydrophobicContact CG1-CB 3.89Å; V150-L259 HydrophobicContact CG1-CD1 3.97Å; A153-L259 HydrophobicContact CB-CD1 4.17Å; A154-L259 HydrophobicContact CB-CD1 3.76Å; V166-L259 HydrophobicContact CG1-CD1 3.89Å; V166-L259 HydrophobicContact CG1-CG 4.06Å; L167-L259 PolarHBondContact O-N 2.84Å; I168-L259 CarbonylContact C-O 3.52Å; I168-L259 WeakPolarHBondContact CA-O 3.37Å; I168-L259 HydrophobicContact CG1-CB 4.25Å; I168-L259 HydrophobicContact CG1-CD1 4.34Å; V169-L259 PolarHBondContact N-O 3.13Å; L257-L259 HydrophobicContact CD2-CD2 3.88Å; L257-L259 HydrophobicContact CD2-CG 4.24Å; L257-L259 HydrophobicContact CG-CD2 4.14Å; L257-L259 HydrophobicContact CG-CG 4.36Å; L259-C298 CarbonylContact C-O 3.57Å; L259-C298 WeakPolarHBondContact CA-O 3.39Å; L259-C298 HydrophobicContact CD2-CB 3.65Å
260V98.9Very high98.2Very high1 Ų18 Ų81%0.0065%0.045CC..EExtended strand (participates in β ladder)trans-118.7119.5176.6-173.70000109V169 W171 V258 A262 L289 L297 C298 A299 V300V169-V260 CarbonylContact O-C 3.6Å; V169-V260 VanDerWaalsContact O-CA 3.26Å; V169-V260 WeakPolarHBondContact O-CA 3.47Å; W171-V260 HydrophobicContact CD2-CG1 3.83Å; W171-V260 HydrophobicContact CE3-CG1 3.9Å; W171-V260 HydrophobicContact CG-CG1 4.47Å; W171-V260 HydrophobicContact CH2-CG1 4Å; W171-V260 HydrophobicContact CZ2-CG1 3.95Å; W171-V260 HydrophobicContact CZ3-CG1 3.98Å; V258-V260 HydrophobicContact CG1-CG2 4.24Å; V260-A262 VanDerWaalsContact C-N 3.33Å; V260-A262 HydrophobicContact CG1-CB 4.14Å; V260-A262 PolarHBondContact O-N 3.13Å; V260-A262 VanDerWaalsContact O-N 3.13Å; V260-L289 HydrophobicContact CG2-CD1 3.95Å; V260-L297 HydrophobicContact CG2-CD1 4.44Å; V260-L297 HydrophobicContact CG2-CD2 4.09Å; V260-L297 HydrophobicContact CG2-CG 4.21Å; V260-C298 PolarHBondContact N-O 3.34Å; V260-A299 HydrophobicContact CB-CB 4.28Å; V260-V300 PolarHBondContact O-N 3.45Å
261C98.9Very high98.1Very high0 Ų010.3 Ų10.30%06%0.06CC..EExtended strand (participates in β ladder)trans-74.393.3163-58.20000106.1V169 D170 W171 G263 E302V169-C261 PolarHBondContact O-N 2.91Å; D170-C261 HydrophobicContact CB-CB 3.83Å; D170-C261 WeakPolarHBondContact OD1-CB 3.36Å; W171-C261 PolarHBondContact N-O 3.37Å; C261-G263 PolarHBondContact O-N 3.3Å; C261-G263 VanDerWaalsContact O-N 3.15Å; C261-E302 HydrophobicContact CB-CG 3.79Å
262A98.9Very high98.2Very high0 Ų012.9 Ų12.90%07%0.072CC..EExtended strand (participates in β ladder)trans-91.968.5-166.500000111.2W171 V260 F264 A299 V300 E302W171-A262 HydrophobicContact CZ2-CB 4.06Å; W171-A262 VanDerWaalsContact NE1-CA 3.32Å; V260-A262 VanDerWaalsContact C-N 3.33Å; V260-A262 HydrophobicContact CG1-CB 4.14Å; V260-A262 PolarHBondContact O-N 3.13Å; V260-A262 VanDerWaalsContact O-N 3.13Å; A262-F264 HydrophobicContact CB-CE2 4.25Å; A262-F264 HydrophobicContact CB-CZ 4.11Å; A262-F264 WeakPolarHBondContact O-CD2 3.43Å; A262-F264 VanDerWaalsContact O-CE2 3.32Å; A262-F264 WeakPolarHBondContact O-CE2 3.16Å; A262-A299 HydrophobicContact CB-CB 4.24Å; A262-V300 WeakPolarHBondContact CA-O 3.44Å; A262-V300 WeakPolarHBondContact CB-O 3.45Å; A262-V300 PolarHBondContact N-O 3.04Å; A262-E302 PolarHBondContact O-N 3.06Å
263G98.9Very high98.3Very high0 Ų011.2 Ų11.20%07%0.065CC..  trans-81.5132.9170.600000112.2W171 D172 C261 S266W171-G263 PolarHBondContact NE1-O 3.45Å; D172-G263 VanDerWaalsContact OD2-CA 3.23Å; D172-G263 WeakPolarHBondContact OD2-CA 3.34Å; C261-G263 PolarHBondContact O-N 3.3Å; C261-G263 VanDerWaalsContact O-N 3.15Å; G263-S266 PolarHBondContact O-OG 3.41Å
264F98.9Very high98.3Very high0 Ų014.5 Ų14.50%08%0.08CC..  trans-109.615.4-178.1-58.8-72.9000113.2M126 W171 A262 S266 A267 F282 L301 G303 L310 V314M126-F264 HydrophobicContact CE-CE2 3.63Å; M126-F264 HydrophobicContact CE-CZ 3.81Å; W171-F264 AromaticContact CZ2-CE1 3.9Å; W171-F264 HydrophobicContact CZ2-CE1 3.9Å; W171-F264 HydrophobicContact CZ2-CZ 4.23Å; W171-F264 AromaticContact NE1-CE1 3.91Å; A262-F264 HydrophobicContact CB-CE2 4.25Å; A262-F264 HydrophobicContact CB-CZ 4.11Å; A262-F264 WeakPolarHBondContact O-CD2 3.43Å; A262-F264 VanDerWaalsContact O-CE2 3.32Å; A262-F264 WeakPolarHBondContact O-CE2 3.16Å; F264-S266 PolarHBondContact O-N 3.43Å; F264-A267 WeakPolarHBondContact O-CB 3.43Å; F264-A267 PolarHBondContact O-N 3.43Å; F264-F282 AromaticContact CD1-CD1 3.9Å; F264-F282 HydrophobicContact CD1-CD1 3.9Å; F264-F282 HydrophobicContact CD1-CD2 4.07Å; F264-F282 AromaticContact CD1-CE1 3.87Å; F264-F282 HydrophobicContact CD1-CE1 3.87Å; F264-F282 HydrophobicContact CD1-CE2 4.06Å; F264-F282 AromaticContact CD1-CG 4Å; F264-F282 HydrophobicContact CD1-CG 4Å; F264-F282 AromaticContact CD1-CZ 3.96Å; F264-F282 HydrophobicContact CD1-CZ 3.96Å; F264-F282 HydrophobicContact CE1-CB 4.31Å; F264-F282 AromaticContact CE1-CD1 3.87Å; F264-F282 HydrophobicContact CE1-CD1 3.87Å; F264-F282 HydrophobicContact CE1-CD2 4.39Å; F264-F282 HydrophobicContact CE1-CE1 4.28Å; F264-F282 AromaticContact CE1-CG 3.93Å; F264-F282 HydrophobicContact CE1-CG 3.93Å; F264-L301 HydrophobicContact CD2-CD1 3.7Å; F264-L301 HydrophobicContact CE2-CD1 3.75Å; F264-G303 PolarHBondContact N-O 3.04Å; F264-G303 VanDerWaalsContact N-O 3.11Å; F264-L310 HydrophobicContact CB-CD1 3.96Å; F264-L310 HydrophobicContact CD2-CD1 3.62Å; F264-L310 HydrophobicContact CG-CD1 4.2Å; F264-V314 HydrophobicContact CD2-CG2 3.9Å; F264-V314 HydrophobicContact CE2-CG2 3.57Å; F264-V314 HydrophobicContact CZ-CG2 4.25Å
265D98.8Very high98.4Very high0 Ų013.5 Ų13.50%07%0.073CC..THydrogen-bonded Turntrans-73.8-11.116945.116.2000112.7I173 H174 A267 D270 G273 G304 Y305I173-D265 HydrophobicContact CB-CB 4.47Å; I173-D265 HydrophobicContact CG2-CB 3.73Å; I173-D265 WeakPolarHBondContact CG2-OD1 3.48Å; I173-D265 PolarHBondContact N-OD1 2.88Å; H174-D265 IonicContact CE1-OD2 2.73Å; H174-D265 PolarHBondContact CE1-OD2 2.92Å; H174-D265 IonicContact ND1-OD2 3.66Å; H174-D265 PolarHBondContact ND1-OD2 2.83Å; H174-D265 VanDerWaalsContact ND1-OD2 3.11Å; D265-A267 PolarHBondContact O-N 2.88Å; D265-D270 WeakPolarHBondContact CA-OD2 3.37Å; D265-D270 HydrophobicContact CB-CB 4.34Å; D265-D270 VanDerWaalsContact CB-CG 3.42Å; D265-D270 WeakPolarHBondContact CB-OD1 3.42Å; D265-D270 VanDerWaalsContact O-CB 3.29Å; D265-D270 WeakPolarHBondContact O-CB 3.05Å; D265-G273 WeakPolarHBondContact O-CA 3.39Å; D265-G304 VanDerWaalsContact N-CA 3.28Å; D265-Y305 HydrophobicContact CB-CD2 3.92Å; D265-Y305 HydrophobicContact CB-CE2 3.88Å; D265-Y305 VanDerWaalsContact OD2-CE2 3.24Å; D265-Y305 WeakPolarHBondContact OD2-CE2 3.36Å
266S98.7Very high98.4Very high0 Ų015.3 Ų15.30%09%0.086CC..THydrogen-bonded Turntrans-760.7167.559.40000113.5W171 Y238 G263 F264 M275 F282W171-S266 WeakPolarHBondContact O-CB 3.38Å; W171-S266 PolarHBondContact O-OG 3.32Å; Y238-S266 WeakPolarHBondContact OH-CB 3.42Å; Y238-S266 PolarHBondContact OH-O 2.85Å; G263-S266 PolarHBondContact O-OG 3.41Å; F264-S266 PolarHBondContact O-N 3.43Å; S266-M275 WeakPolarHBondContact O-CB 3.42Å; S266-F282 WeakPolarHBondContact OG-CZ 3.39Å
267A98.6Very high98.4Very high0 Ų013.2 Ų13.20%08%0.075CC..SBendtrans-90.7159.7178.200000113.2F264 D265 D270 A277 F282F264-A267 WeakPolarHBondContact O-CB 3.43Å; F264-A267 PolarHBondContact O-N 3.43Å; D265-A267 PolarHBondContact O-N 2.88Å; A267-D270 WeakPolarHBondContact O-CB 3.5Å; A267-D270 PolarHBondContact O-N 3.16Å; A267-A277 CarbonylContact C-O 3.53Å; A267-F282 HydrophobicContact CB-CE2 3.78Å; A267-F282 HydrophobicContact CB-CZ 4.17Å
268I98.1Very high98.3Very high26 Ų2615.1 Ų15.113%0.1339%0.086CC..THydrogen-bonded Turntrans-54.3139.5172.9-170.2166000112.1D270 M275 A277 S309 W413I268-D270 VanDerWaalsContact C-N 3.27Å; I268-D270 PolarHBondContact O-N 2.98Å; I268-M275 WeakPolarHBondContact CA-O 3.39Å; I268-A277 PolarHBondContact N-O 3.43Å; I268-S309 WeakPolarHBondContact O-CB 3.26Å; I268-S309 PolarHBondContact O-OG 2.76Å; I268-W413 HydrophobicContact CB-CE3 4.49Å; I268-W413 HydrophobicContact CD1-CB 4.11Å; I268-W413 HydrophobicContact CD1-CE3 4.25Å; I268-W413 HydrophobicContact CD1-CG 4.49Å; I268-W413 HydrophobicContact CG1-CD2 4.38Å; I268-W413 HydrophobicContact CG1-CE3 3.92Å; I268-W413 HydrophobicContact CG1-CZ3 4.42Å; I268-W413 HydrophobicContact CG2-CB 4.48Å; I268-W413 HydrophobicContact CG2-CD2 3.6Å; I268-W413 HydrophobicContact CG2-CE3 3.93Å; I268-W413 HydrophobicContact CG2-CG 3.85Å; I268-W413 HydrophobicContact CG2-CZ2 4.4Å; I268-W413 HydrophobicContact CG2-CZ3 4.44Å; I268-W413 WeakPolarHBondContact O-CH2 3.5Å
269G97.7Very high98.3Very high14 Ų1415.2 Ų15.214%0.1449%0.087CC..THydrogen-bonded Turntrans84.5-7.9176.100000115N306G269-N306 WeakPolarHBondContact O-CB 3.4Å; G269-N306 PolarHBondContact O-ND2 3.37Å
270D98.5Very high98.2Very high4 Ų416.4 Ų16.42%0.0219%0.093CC..  trans-66.8133.2175-164.8-88.5000111.9D265 A267 I268 E272 G273 E274 Y305 N306D265-D270 WeakPolarHBondContact CA-OD2 3.37Å; D265-D270 HydrophobicContact CB-CB 4.34Å; D265-D270 VanDerWaalsContact CB-CG 3.42Å; D265-D270 WeakPolarHBondContact CB-OD1 3.42Å; D265-D270 VanDerWaalsContact O-CB 3.29Å; D265-D270 WeakPolarHBondContact O-CB 3.05Å; A267-D270 WeakPolarHBondContact O-CB 3.5Å; A267-D270 PolarHBondContact O-N 3.16Å; I268-D270 VanDerWaalsContact C-N 3.27Å; I268-D270 PolarHBondContact O-N 2.98Å; D270-E272 PolarHBondContact OD1-N 3.38Å; D270-G273 PolarHBondContact OD1-N 3.48Å; D270-G273 VanDerWaalsContact OD1-N 3.11Å; D270-E274 PolarHBondContact O-N 3.02Å; D270-Y305 WeakPolarHBondContact OD2-CA 3.4Å; D270-Y305 PolarHBondContact OD2-N 3.08Å; D270-N306 PolarHBondContact OD2-N 2.91Å; D270-N306 VanDerWaalsContact OD2-N 3.13Å
271P96.8Very high98.2Very high49 Ų4916.3 Ų16.332%0.3189%0.093SC..THydrogen-bonded Turntrans-72.7-25.8-177.829.5-36.5000114.2
272E97.6Very high98.2Very high62 Ų6216.3 Ų16.329%0.299%0.093SC..THydrogen-bonded Turntrans-90.7-45.9-179.4-67.5-62.6116.900110.9I25 R196 F202 D270 Y305I25-E272 HydrophobicContact CD1-CG 3.35Å; R196-E272 PolarHBondContact NH1-O 2.81Å; F202-E272 WeakPolarHBondContact CE2-O 3.41Å; F202-E272 WeakPolarHBondContact CZ-O 3.38Å; D270-E272 PolarHBondContact OD1-N 3.38Å; E272-Y305 HydrophobicContact CB-CD2 4.1Å; E272-Y305 HydrophobicContact CB-CE2 4.27Å; E272-Y305 HydrophobicContact CG-CD2 3.73Å; E272-Y305 HydrophobicContact CG-CE2 3.95Å
273G98Very high98.2Very high0 Ų016.3 Ų16.30%09%0.093CC..THydrogen-bonded Turntrans-73.7-35.7-175.700000114.1D265 D270 M275D265-G273 WeakPolarHBondContact O-CA 3.39Å; D270-G273 PolarHBondContact OD1-N 3.48Å; D270-G273 VanDerWaalsContact OD1-N 3.11Å; G273-M275 WeakPolarHBondContact O-CE 3.45Å; G273-M275 WeakPolarHBondContact O-CG 3.39Å; G273-M275 PolarHBondContact O-N 3.05Å
274E98.4Very high98.2Very high80 Ų8016.6 Ų16.637%0.3749%0.094SC..  trans53.622-176.7-61.7-179.2-125.800114.5R196 V231 G232 D270R196-E274 IonicContact CZ-OE1 3.39Å; R196-E274 VanDerWaalsContact NH1-CD 3.32Å; R196-E274 IonicContact NH1-OE1 2.72Å; R196-E274 PolarHBondContact NH1-OE1 3.24Å; R196-E274 IonicContact NH2-OE1 3.82Å; R196-E274 PolarHBondContact NH2-OE1 3.44Å; R196-E274 VanDerWaalsContact NH2-OE1 3.16Å; V231-E274 HydrophobicContact CB-CB 4.04Å; V231-E274 HydrophobicContact CG1-CB 4.02Å; G232-E274 PolarHBondContact N-O 2.91Å; G232-E274 VanDerWaalsContact N-O 3.12Å; D270-E274 PolarHBondContact O-N 3.02Å
275M98.4Very high98.2Very high0 Ų016.6 Ų16.60%09%0.094CC..  trans-81.6174.2178.3-58.9-52.6165.900111.9I173 R196 W228 G232 M233 Y238 S266 I268 G273I173-M275 HydrophobicContact CD1-CE 3.63Å; I173-M275 HydrophobicContact CD1-CG 3.6Å; I173-M275 HydrophobicContact CD1-SD 4.34Å; I173-M275 HydrophobicContact CG1-CE 3.98Å; I173-M275 HydrophobicContact CG1-CG 4.01Å; R196-M275 HydrophobicContact CB-CE 3.73Å; R196-M275 HydrophobicContact CG-CE 3.97Å; W228-M275 HydrophobicContact CB-CE 4.29Å; G232-M275 PolarHBondContact N-SD 3.29Å; M233-M275 HydrophobicContact CB-SD 3.73Å; M233-M275 HydrophobicContact CG-CE 4.46Å; M233-M275 HydrophobicContact CG-SD 3.74Å; M233-M275 PolarHBondContact N-SD 2.97Å; Y238-M275 WeakPolarHBondContact OH-CG 3.44Å; S266-M275 WeakPolarHBondContact O-CB 3.42Å; I268-M275 WeakPolarHBondContact CA-O 3.39Å; G273-M275 WeakPolarHBondContact O-CE 3.45Å; G273-M275 WeakPolarHBondContact O-CG 3.39Å; G273-M275 PolarHBondContact O-N 3.05Å
276C97.4Very high98.2Very high41 Ų4116.6 Ų16.628%0.2779%0.094SC..  trans-1242.1-175.5-71.20000113.4M233 E234 T278M233-C276 CarbonylContact O-C 3.53Å; M233-C276 WeakPolarHBondContact O-CA 3.24Å; M233-C276 PolarHBondContact O-N 3.19Å; E234-C276 HydrophobicContact CG-CB 3.89Å; C276-T278 PolarHBondContact O-N 3.41Å
277A97.8Very high98.2Very high0 Ų017.8 Ų17.80%010%0.099CC..  trans-64.6132.8176.300000111.1M233 N235 Y238 A267 I268 I281M233-A277 PolarHBondContact O-N 2.84Å; M233-A277 VanDerWaalsContact O-N 3.08Å; N235-A277 VanDerWaalsContact OD1-CA 3.25Å; N235-A277 WeakPolarHBondContact OD1-CA 3.48Å; Y238-A277 HydrophobicContact CD2-CB 3.65Å; Y238-A277 HydrophobicContact CE2-CB 3.34Å; Y238-A277 HydrophobicContact CG-CB 4.42Å; A267-A277 CarbonylContact C-O 3.53Å; I268-A277 PolarHBondContact N-O 3.43Å; A277-I281 HydrophobicContact CB-CG2 4.09Å
278T97.7Very high98.2Very high39 Ų3917.8 Ų17.824%0.23910%0.1CC..  trans-81.8155.4-176.563.30000110.8N235 C276 D280 I281N235-T278 PolarHBondContact ND2-OG1 2.93Å; N235-T278 PolarHBondContact OD1-N 2.99Å; C276-T278 PolarHBondContact O-N 3.41Å; T278-D280 PolarHBondContact O-N 2.84Å; T278-I281 WeakPolarHBondContact O-CB 3.36Å; T278-I281 WeakPolarHBondContact O-CG2 3.48Å; T278-I281 PolarHBondContact O-N 3.06Å
279P98.4Very high98.2Very high2 Ų216.6 Ų16.61%0.0139%0.094CC..THydrogen-bonded Turntrans-52.9-30.1177.9-29.936.6000114.8I281 F282 Q312 S313 Q316 P416P279-I281 PolarHBondContact O-N 3.12Å; P279-F282 WeakPolarHBondContact O-CD2 3.43Å; P279-F282 PolarHBondContact O-N 3.3Å; P279-Q312 HydrophobicContact CB-CB 3.72Å; P279-Q312 HydrophobicContact CG-CB 3.73Å; P279-S313 WeakPolarHBondContact CB-OG 3.49Å; P279-Q316 HydrophobicContact CB-CG 4.3Å; P279-Q316 WeakPolarHBondContact O-CB 3.31Å; P279-Q316 WeakPolarHBondContact O-CG 3.34Å; P279-P416 HydrophobicContact CB-CG 4.33Å
280D97.8Very high98.1Very high26 Ų2617 Ų1714%0.1399%0.092CC..Hα-helixtrans-57-28.6176.3-73.6-22.6000112.8T278 F282 A283 H284 Q316 P327 L329T278-D280 PolarHBondContact O-N 2.84Å; D280-F282 VanDerWaalsContact C-N 3.26Å; D280-F282 PolarHBondContact O-N 3.43Å; D280-A283 VanDerWaalsContact O-CB 3.28Å; D280-A283 WeakPolarHBondContact O-CB 3.43Å; D280-A283 PolarHBondContact O-N 3.42Å; D280-A283 VanDerWaalsContact O-N 3.12Å; D280-H284 PolarHBondContact O-CD2 3.47Å; D280-Q316 PolarHBondContact OD1-NE2 2.91Å; D280-P327 HydrophobicContact CB-CB 4.15Å; D280-P327 HydrophobicContact CB-CG 3.67Å; D280-L329 HydrophobicContact CB-CD2 3.76Å
281I98.4Very high97.9Very high0 Ų017.4 Ų17.40%09%0.094CC..Hα-helixtrans-58-39.9179.7-163.551.8000111.8N235 Y238 L239 A277 T278 P279 A283 H284 L285 L329N235-I281 HydrophobicContact CB-CD1 3.99Å; N235-I281 HydrophobicContact CB-CG1 4.47Å; Y238-I281 HydrophobicContact CD2-CG1 4.1Å; Y238-I281 HydrophobicContact CD2-CG2 4.27Å; L239-I281 HydrophobicContact CD1-CD1 4.31Å; L239-I281 HydrophobicContact CD2-CD1 4.04Å; L239-I281 HydrophobicContact CG-CD1 3.79Å; A277-I281 HydrophobicContact CB-CG2 4.09Å; T278-I281 WeakPolarHBondContact O-CB 3.36Å; T278-I281 WeakPolarHBondContact O-CG2 3.48Å; T278-I281 PolarHBondContact O-N 3.06Å; P279-I281 PolarHBondContact O-N 3.12Å; I281-A283 PolarHBondContact O-N 3Å; I281-H284 WeakPolarHBondContact O-CA 3.29Å; I281-H284 WeakPolarHBondContact O-CB 3.26Å; I281-H284 PolarHBondContact O-N 3.14Å; I281-L285 HydrophobicContact CD1-CD2 4.36Å; I281-L285 HydrophobicContact CG1-CD1 4.37Å; I281-L285 HydrophobicContact CG1-CD2 4.23Å; I281-L285 HydrophobicContact CG1-CG 4.17Å; I281-L285 WeakPolarHBondContact O-CG 2.85Å; I281-L285 PolarHBondContact O-N 2.91Å; I281-L329 HydrophobicContact CD1-CD1 3.82Å
282F98.8Very high97.9Very high0 Ų015.3 Ų15.30%08%0.08CC..Hα-helixtrans-66.6-23.9-176.7-61.4-76.8000112W171 F264 S266 A267 P279 D280 L285 T286 S313W171-F282 HydrophobicContact CD2-CD1 4.08Å; W171-F282 HydrophobicContact CD2-CE1 4.31Å; W171-F282 AromaticContact CE2-CD1 3.72Å; W171-F282 HydrophobicContact CG-CE1 4.31Å; W171-F282 HydrophobicContact CH2-CD1 4.39Å; W171-F282 AromaticContact CZ2-CD1 3.91Å; W171-F282 HydrophobicContact CZ2-CD1 3.91Å; W171-F282 AromaticContact NE1-CD1 3.9Å; W171-F282 AromaticContact NE1-CE1 3.84Å; F264-F282 AromaticContact CD1-CD1 3.9Å; F264-F282 HydrophobicContact CD1-CD1 3.9Å; F264-F282 HydrophobicContact CD1-CD2 4.07Å; F264-F282 AromaticContact CD1-CE1 3.87Å; F264-F282 HydrophobicContact CD1-CE1 3.87Å; F264-F282 HydrophobicContact CD1-CE2 4.06Å; F264-F282 AromaticContact CD1-CG 4Å; F264-F282 HydrophobicContact CD1-CG 4Å; F264-F282 AromaticContact CD1-CZ 3.96Å; F264-F282 HydrophobicContact CD1-CZ 3.96Å; F264-F282 HydrophobicContact CE1-CB 4.31Å; F264-F282 AromaticContact CE1-CD1 3.87Å; F264-F282 HydrophobicContact CE1-CD1 3.87Å; F264-F282 HydrophobicContact CE1-CD2 4.39Å; F264-F282 HydrophobicContact CE1-CE1 4.28Å; F264-F282 AromaticContact CE1-CG 3.93Å; F264-F282 HydrophobicContact CE1-CG 3.93Å; S266-F282 WeakPolarHBondContact OG-CZ 3.39Å; A267-F282 HydrophobicContact CB-CE2 3.78Å; A267-F282 HydrophobicContact CB-CZ 4.17Å; P279-F282 WeakPolarHBondContact O-CD2 3.43Å; P279-F282 PolarHBondContact O-N 3.3Å; D280-F282 VanDerWaalsContact C-N 3.26Å; D280-F282 PolarHBondContact O-N 3.43Å; F282-L285 HydrophobicContact CD1-CD1 4.13Å; F282-L285 HydrophobicContact CE1-CD1 4.48Å; F282-T286 WeakPolarHBondContact O-CB 3.28Å; F282-T286 PolarHBondContact O-N 3.37Å; F282-T286 PolarHBondContact O-OG1 2.68Å; F282-S313 WeakPolarHBondContact CD2-OG 3.12Å; F282-S313 WeakPolarHBondContact CE2-OG 3.31Å
283A98.7Very high97.9Very high0 Ų012.6 Ų12.60%07%0.068CC..Hα-helixtrans-63.8-44.4168.700000111.2D280 I281 H287 Q316 T320 L326 P327D280-A283 VanDerWaalsContact O-CB 3.28Å; D280-A283 WeakPolarHBondContact O-CB 3.43Å; D280-A283 PolarHBondContact O-N 3.42Å; D280-A283 VanDerWaalsContact O-N 3.12Å; I281-A283 PolarHBondContact O-N 3Å; A283-H287 WeakPolarHBondContact O-CB 3.17Å; A283-H287 PolarHBondContact O-N 2.94Å; A283-Q316 HydrophobicContact CB-CB 4.24Å; A283-T320 VanDerWaalsContact CA-OG1 3.26Å; A283-T320 WeakPolarHBondContact CA-OG1 3.46Å; A283-T320 VanDerWaalsContact CB-OG1 3.29Å; A283-T320 WeakPolarHBondContact CB-OG1 3.49Å; A283-T320 WeakPolarHBondContact O-CG2 3.04Å; A283-L326 HydrophobicContact CB-CD2 4.05Å; A283-P327 HydrophobicContact CB-CG 3.99Å
284H98.6Very high97.7Very high5 Ų513.6 Ų13.62%0.0238%0.079CC..Hα-helixtrans-70.2-44.7178.1-67.9-90.6000112.5L239 D280 I281 T286 H287 L288 L326 P327 L329 Y574L239-H284 HydrophobicContact CD2-CB 4.37Å; D280-H284 PolarHBondContact O-CD2 3.47Å; I281-H284 WeakPolarHBondContact O-CA 3.29Å; I281-H284 WeakPolarHBondContact O-CB 3.26Å; I281-H284 PolarHBondContact O-N 3.14Å; H284-T286 VanDerWaalsContact C-N 3.31Å; H284-T286 PolarHBondContact O-N 3Å; H284-H287 PolarHBondContact O-N 2.83Å; H284-L288 VanDerWaalsContact O-CG 3.27Å; H284-L288 WeakPolarHBondContact O-CG 3.37Å; H284-L288 PolarHBondContact O-N 3.42Å; H284-L326 WeakPolarHBondContact ND1-CD1 3.4Å; H284-P327 PolarHBondContact CE1-O 3Å; H284-P327 VanDerWaalsContact CE1-O 3.31Å; H284-P327 PolarHBondContact NE2-O 2.78Å; H284-L329 HydrophobicContact CB-CD1 4.28Å; H284-L329 VanDerWaalsContact CD2-CD1 3.44Å; H284-L329 WeakPolarHBondContact CD2-CD1 3.45Å; H284-L329 WeakPolarHBondContact NE2-CG 3.37Å; H284-Y574 HydrophobicContact CB-CE1 4.38Å; H284-Y574 AromaticContact ND1-CE1 3.45Å; H284-Y574 WeakPolarHBondContact ND1-CE1 3.46Å; H284-Y574 AromaticContact ND1-CZ 3.9Å; H284-Y574 PolarHBondContact ND1-OH 3.13Å
285L98.8Very high97.6Very high0 Ų09.9 Ų9.90%06%0.062CC..Hα-helixtrans-58.5-45.4177.2-54.8-175.8000110.9W171 W194 F242 I281 F282 H287 L288 L289W171-L285 HydrophobicContact CD2-CD1 4.48Å; W171-L285 HydrophobicContact CE3-CB 3.9Å; W171-L285 HydrophobicContact CE3-CD1 3.92Å; W171-L285 HydrophobicContact CZ3-CB 3.64Å; W171-L285 HydrophobicContact CZ3-CD1 4.4Å; W194-L285 HydrophobicContact CH2-CD1 3.54Å; W194-L285 HydrophobicContact CH2-CD2 4.35Å; W194-L285 HydrophobicContact CZ2-CD1 3.91Å; F242-L285 HydrophobicContact CD1-CD2 3.87Å; F242-L285 HydrophobicContact CD2-CD2 3.8Å; F242-L285 HydrophobicContact CE1-CB 3.78Å; F242-L285 HydrophobicContact CE1-CD2 3.81Å; F242-L285 HydrophobicContact CE1-CG 4.29Å; F242-L285 HydrophobicContact CE2-CD1 4.26Å; F242-L285 HydrophobicContact CE2-CD2 3.75Å; F242-L285 HydrophobicContact CE2-CG 4.39Å; F242-L285 HydrophobicContact CG-CD2 3.87Å; F242-L285 HydrophobicContact CZ-CB 3.82Å; F242-L285 HydrophobicContact CZ-CD1 4.15Å; F242-L285 HydrophobicContact CZ-CD2 3.75Å; F242-L285 HydrophobicContact CZ-CG 4.08Å; I281-L285 HydrophobicContact CD1-CD2 4.36Å; I281-L285 HydrophobicContact CG1-CD1 4.37Å; I281-L285 HydrophobicContact CG1-CD2 4.23Å; I281-L285 HydrophobicContact CG1-CG 4.17Å; I281-L285 WeakPolarHBondContact O-CG 2.85Å; I281-L285 PolarHBondContact O-N 2.91Å; F282-L285 HydrophobicContact CD1-CD1 4.13Å; F282-L285 HydrophobicContact CE1-CD1 4.48Å; L285-H287 PolarHBondContact O-N 3.02Å; L285-L288 PolarHBondContact O-N 2.86Å; L285-L289 WeakPolarHBondContact O-CG 3.34Å; L285-L289 PolarHBondContact O-N 3.46Å
286T98.9Very high97.6Very high1 Ų112.7 Ų12.71%0.0067%0.074CC..Hα-helixtrans-59.4-48.5176.1-58.80000111.7W171 F282 H284 L288 L289 M290 T317 T320 L321W171-T286 WeakPolarHBondContact CH2-OG1 3.44Å; F282-T286 WeakPolarHBondContact O-CB 3.28Å; F282-T286 PolarHBondContact O-N 3.37Å; F282-T286 PolarHBondContact O-OG1 2.68Å; H284-T286 VanDerWaalsContact C-N 3.31Å; H284-T286 PolarHBondContact O-N 3Å; T286-L288 PolarHBondContact O-N 3.34Å; T286-L289 PolarHBondContact O-N 3.17Å; T286-M290 HydrophobicContact CG2-CG 4.31Å; T286-M290 HydrophobicContact CG2-SD 3.93Å; T286-M290 VanDerWaalsContact O-CG 3.3Å; T286-M290 WeakPolarHBondContact O-CG 3.26Å; T286-M290 PolarHBondContact O-N 2.88Å; T286-T317 HydrophobicContact CG2-CG2 4.48Å; T286-T320 HydrophobicContact CG2-CG2 3.89Å; T286-L321 HydrophobicContact CG2-CD2 3.6Å; T286-L321 HydrophobicContact CG2-CG 3.97Å
287H98.4Very high97.7Very high24 Ų2410.9 Ų10.911%0.1116%0.061CC..Hα-helixtrans-60.8-42.5-179.5172.180.2000112.9A283 H284 L285 L289 M290 N291 T320 L326 G601 L602 G605A283-H287 WeakPolarHBondContact O-CB 3.17Å; A283-H287 PolarHBondContact O-N 2.94Å; H284-H287 PolarHBondContact O-N 2.83Å; L285-H287 PolarHBondContact O-N 3.02Å; H287-L289 VanDerWaalsContact C-N 3.28Å; H287-L289 PolarHBondContact O-N 2.85Å; H287-M290 PolarHBondContact O-N 2.84Å; H287-N291 PolarHBondContact O-ND2 3.12Å; H287-T320 HydrophobicContact CB-CG2 3.86Å; H287-L326 HydrophobicContact CB-CD1 3.68Å; H287-L326 HydrophobicContact CB-CD2 4Å; H287-L326 HydrophobicContact CB-CG 4.34Å; H287-G601 PolarHBondContact CE1-O 3.07Å; H287-G601 PolarHBondContact NE2-O 3.43Å; H287-L602 PolarHBondContact NE2-O 3.12Å; H287-G605 WeakPolarHBondContact NE2-CA 3.5Å; H287-G605 PolarHBondContact NE2-N 2.84Å
288L98.2Very high97.7Very high1 Ų110.9 Ų10.91%0.0056%0.062CC..Hα-helixtrans-61.2-39.2178.3-69.2169000111.2L239 F242 L247 H284 L285 T286 L570 L602L239-L288 HydrophobicContact CD2-CD1 4.24Å; F242-L288 HydrophobicContact CB-CD1 4.35Å; F242-L288 HydrophobicContact CD1-CB 4.33Å; F242-L288 HydrophobicContact CD1-CD1 3.98Å; L247-L288 HydrophobicContact CD1-CB 4.18Å; L247-L288 HydrophobicContact CD1-CD1 4.2Å; L247-L288 HydrophobicContact CD1-CD2 3.97Å; L247-L288 HydrophobicContact CD1-CG 4.33Å; L247-L288 HydrophobicContact CD2-CB 4.11Å; H284-L288 VanDerWaalsContact O-CG 3.27Å; H284-L288 WeakPolarHBondContact O-CG 3.37Å; H284-L288 PolarHBondContact O-N 3.42Å; L285-L288 PolarHBondContact O-N 2.86Å; T286-L288 PolarHBondContact O-N 3.34Å; L288-L570 HydrophobicContact CD2-CD1 4.05Å; L288-L602 HydrophobicContact CD2-CD2 4.07Å
289L98.5Very high97.8Very high1 Ų19.1 Ų9.11%0.0055%0.051CC..Hα-helixtrans-74.7-28.6176.4-62.6177000113.6V169 W171 F242 L246 V260 L285 T286 H287 N291 L292 L297V169-L289 HydrophobicContact CB-CD1 4.16Å; V169-L289 HydrophobicContact CG1-CD1 4.14Å; V169-L289 HydrophobicContact CG2-CD1 4.02Å; V169-L289 HydrophobicContact CG2-CD2 3.94Å; W171-L289 HydrophobicContact CZ3-CD1 4.45Å; F242-L289 HydrophobicContact CE1-CD1 4.36Å; F242-L289 HydrophobicContact CE1-CD2 4.26Å; F242-L289 HydrophobicContact CE1-CG 4.12Å; L246-L289 HydrophobicContact CD2-CD2 4.23Å; V260-L289 HydrophobicContact CG2-CD1 3.95Å; L285-L289 WeakPolarHBondContact O-CG 3.34Å; L285-L289 PolarHBondContact O-N 3.46Å; T286-L289 PolarHBondContact O-N 3.17Å; H287-L289 VanDerWaalsContact C-N 3.28Å; H287-L289 PolarHBondContact O-N 2.85Å; L289-N291 PolarHBondContact O-N 3.12Å; L289-N291 VanDerWaalsContact O-N 3.14Å; L289-L292 HydrophobicContact CD2-CD1 3.95Å; L289-L292 WeakPolarHBondContact O-CB 3.27Å; L289-L292 PolarHBondContact O-N 3.12Å; L289-L297 HydrophobicContact CB-CD1 3.64Å
290M97Very high97.8Very high23 Ų239.1 Ų9.111%0.1135%0.051CC..Hα-helixtrans-65.2-14178.6-78.1174.360.300114.2T286 H287 L292 G295 L297 T320 L321T286-M290 HydrophobicContact CG2-CG 4.31Å; T286-M290 HydrophobicContact CG2-SD 3.93Å; T286-M290 VanDerWaalsContact O-CG 3.3Å; T286-M290 WeakPolarHBondContact O-CG 3.26Å; T286-M290 PolarHBondContact O-N 2.88Å; H287-M290 PolarHBondContact O-N 2.84Å; M290-L292 VanDerWaalsContact C-N 3.33Å; M290-G295 VanDerWaalsContact O-CA 3.28Å; M290-G295 WeakPolarHBondContact O-CA 3.41Å; M290-L297 HydrophobicContact CG-CD1 4.1Å; M290-T320 HydrophobicContact SD-CG2 3.96Å; M290-L321 HydrophobicContact CG-CD2 4.4Å; M290-L321 HydrophobicContact SD-CD2 4.06Å
291N93.8Very high97.9Very high11 Ų117.9 Ų7.96%0.0594%0.044CC..THydrogen-bonded Turntrans-81.6-14.1174.1-74.4-79.8000112.9Y251 H287 L289 Q598 G601 L602Y251-N291 VanDerWaalsContact OH-CB 3.31Å; Y251-N291 WeakPolarHBondContact OH-CB 3.45Å; H287-N291 PolarHBondContact O-ND2 3.12Å; L289-N291 PolarHBondContact O-N 3.12Å; L289-N291 VanDerWaalsContact O-N 3.14Å; N291-Q598 PolarHBondContact O-NE2 3.43Å; N291-Q598 VanDerWaalsContact O-NE2 3.13Å; N291-Q598 PolarHBondContact O-OE1 3.23Å; N291-G601 VanDerWaalsContact OD1-C 3.26Å; N291-G601 VanDerWaalsContact OD1-CA 3.27Å; N291-G601 WeakPolarHBondContact OD1-CA 3.21Å; N291-L602 HydrophobicContact CB-CD2 4.22Å
292L96.6Very high97.9Very high6 Ų67.9 Ų7.93%0.0314%0.044CC..SBendtrans-84.7162175-61.4168.7000111.5L167 A250 Y251 P255 V258 L289 M290 G294 G295L167-L292 HydrophobicContact CD2-CD1 3.8Å; A250-L292 HydrophobicContact CB-CD1 3.73Å; A250-L292 HydrophobicContact CB-CD2 4.2Å; Y251-L292 HydrophobicContact CD1-CD2 4.47Å; Y251-L292 HydrophobicContact CD2-CD2 3.42Å; Y251-L292 VanDerWaalsContact CD2-CD2 3.42Å; Y251-L292 HydrophobicContact CD2-CG 4.48Å; Y251-L292 HydrophobicContact CE1-CD2 4.47Å; Y251-L292 HydrophobicContact CE2-CD2 3.41Å; Y251-L292 VanDerWaalsContact CE2-CD2 3.41Å; Y251-L292 HydrophobicContact CE2-CG 4.1Å; Y251-L292 HydrophobicContact CG-CD2 4Å; P255-L292 HydrophobicContact CG-CB 4.26Å; V258-L292 HydrophobicContact CG2-CB 3.89Å; V258-L292 HydrophobicContact CG2-CD1 4.27Å; L289-L292 HydrophobicContact CD2-CD1 3.95Å; L289-L292 WeakPolarHBondContact O-CB 3.27Å; L289-L292 PolarHBondContact O-N 3.12Å; M290-L292 VanDerWaalsContact C-N 3.33Å; L292-G294 PolarHBondContact O-N 2.82Å; L292-G295 PolarHBondContact O-N 3.22Å
293A96.3Very high97.9Very high4 Ų47.9 Ų7.93%0.0334%0.044CC..G310 helixtrans52.924.817000000115P255 V258 G295 K296P255-A293 VanDerWaalsContact O-CA 3.28Å; P255-A293 WeakPolarHBondContact O-CA 3.43Å; P255-A293 VanDerWaalsContact O-CB 3.29Å; P255-A293 WeakPolarHBondContact O-CB 3.36Å; V258-A293 HydrophobicContact CG2-CB 4.07Å; A293-G295 PolarHBondContact O-N 3.34Å; A293-K296 HydrophobicContact CB-CB 4.25Å; A293-K296 WeakPolarHBondContact O-CB 3.44Å; A293-K296 WeakPolarHBondContact O-CG 3.48Å; A293-K296 PolarHBondContact O-N 3.49Å; A293-K296 PolarHBondContact O-NZ 2.95Å
294G94.9Very high97.9Very high22 Ų227.9 Ų7.923%0.2274%0.044CC..G310 helixtrans59.532.7-172.600000113.2L292 K296 P634L292-G294 PolarHBondContact O-N 2.82Å; G294-K296 VanDerWaalsContact C-N 3.31Å; G294-K296 PolarHBondContact O-N 2.85Å; G294-P634 WeakPolarHBondContact O-CB 3.43Å; G294-P634 VanDerWaalsContact O-CG 3.28Å; G294-P634 WeakPolarHBondContact O-CG 3.32Å
295G96.6Very high97.9Very high1 Ų18.7 Ų8.71%0.015%0.047CC..G310 helixtrans78.96.2-178.900000115.3M290 L292 A293 L297M290-G295 VanDerWaalsContact O-CA 3.28Å; M290-G295 WeakPolarHBondContact O-CA 3.41Å; L292-G295 PolarHBondContact O-N 3.22Å; A293-G295 PolarHBondContact O-N 3.34Å; G295-L297 PolarHBondContact O-N 2.9Å
296K98.6Very high97.9Very high59 Ų5910.5 Ų10.526%0.2576%0.057SC..  trans-74.591.1177.2-64.1-167.2-50.3-59.40110.2V117 M118 D256 L257 V258 A293 G294V117-K296 HydrophobicContact CG1-CB 3.53Å; V117-K296 HydrophobicContact CG1-CD 4.28Å; V117-K296 HydrophobicContact CG1-CG 3.82Å; M118-K296 HydrophobicContact SD-CD 4.18Å; D256-K296 WeakPolarHBondContact O-CE 3.49Å; D256-K296 PolarHBondContact O-NZ 2.98Å; L257-K296 HydrophobicContact CD1-CB 4.25Å; V258-K296 PolarHBondContact N-O 3.14Å; A293-K296 HydrophobicContact CB-CB 4.25Å; A293-K296 WeakPolarHBondContact O-CB 3.44Å; A293-K296 WeakPolarHBondContact O-CG 3.48Å; A293-K296 PolarHBondContact O-N 3.49Å; A293-K296 PolarHBondContact O-NZ 2.95Å; G294-K296 VanDerWaalsContact C-N 3.31Å; G294-K296 PolarHBondContact O-N 2.85Å
297L98.8Very high97.9Very high3 Ų313.4 Ų13.42%0.0167%0.072CC..EExtended strand (participates in β ladder)trans-127.7128.4-176.9-173161.4000110.5N124 G125 V258 V260 L289 M290 G295 A299 L321N124-L297 CarbonylContact C-O 3.59Å; N124-L297 WeakPolarHBondContact CA-O 3.16Å; N124-L297 HydrophobicContact CB-CB 4.29Å; N124-L297 VanDerWaalsContact CB-O 3.3Å; N124-L297 WeakPolarHBondContact CB-O 3.47Å; G125-L297 PolarHBondContact N-O 3.32Å; G125-L297 VanDerWaalsContact N-O 3.07Å; V258-L297 HydrophobicContact CB-CG 4.4Å; V258-L297 HydrophobicContact CG1-CG 4.4Å; V258-L297 CarbonylContact O-C 3.59Å; V258-L297 WeakPolarHBondContact O-CA 3.4Å; V260-L297 HydrophobicContact CG2-CD1 4.44Å; V260-L297 HydrophobicContact CG2-CD2 4.09Å; V260-L297 HydrophobicContact CG2-CG 4.21Å; L289-L297 HydrophobicContact CB-CD1 3.64Å; M290-L297 HydrophobicContact CG-CD1 4.1Å; G295-L297 PolarHBondContact O-N 2.9Å; L297-A299 HydrophobicContact CD2-CB 4.23Å; L297-L321 HydrophobicContact CD2-CD2 3.86Å
298C98.9Very high97.9Very high1 Ų115.6 Ų15.61%0.0079%0.087CC..EExtended strand (participates in β ladder)trans-119.6110.5174.4-54.10000109.8L113 V258 L259 V260L113-C298 HydrophobicContact CD2-CB 3.61Å; L113-C298 HydrophobicContact CG-CB 3.69Å; V258-C298 PolarHBondContact O-N 3.44Å; L259-C298 CarbonylContact C-O 3.57Å; L259-C298 WeakPolarHBondContact CA-O 3.39Å; L259-C298 HydrophobicContact CD2-CB 3.65Å; V260-C298 PolarHBondContact N-O 3.34Å
299A98.9Very high97.9Very high1 Ų115.5 Ų15.51%0.0089%0.087CC..EExtended strand (participates in β ladder)trans-92.4131.8173.600000110.4G125 M126 A127 V260 A262 L297G125-A299 PolarHBondContact O-N 3.14Å; M126-A299 CarbonylContact C-O 3.41Å; M126-A299 VanDerWaalsContact CA-O 3.24Å; M126-A299 WeakPolarHBondContact CA-O 3.38Å; M126-A299 HydrophobicContact CB-CB 4.34Å; M126-A299 HydrophobicContact CG-CB 4.09Å; A127-A299 PolarHBondContact N-O 2.96Å; V260-A299 HydrophobicContact CB-CB 4.28Å; A262-A299 HydrophobicContact CB-CB 4.24Å; L297-A299 HydrophobicContact CD2-CB 4.23Å
300V98.9Very high97.9Very high2 Ų215.5 Ų15.51%0.0129%0.087CC..EExtended strand (participates in β ladder)trans-123122.1179.2-1760000107.6A110 V129 N149 V150 V260 A262 E302A110-V300 HydrophobicContact CB-CG1 4.44Å; A110-V300 HydrophobicContact CB-CG2 4.01Å; V129-V300 HydrophobicContact CG2-CG1 3.67Å; N149-V300 HydrophobicContact CB-CG1 4.22Å; V150-V300 HydrophobicContact CG2-CB 3.93Å; V150-V300 HydrophobicContact CG2-CG1 4.35Å; V150-V300 HydrophobicContact CG2-CG2 4.18Å; V260-V300 PolarHBondContact O-N 3.45Å; A262-V300 WeakPolarHBondContact CA-O 3.44Å; A262-V300 WeakPolarHBondContact CB-O 3.45Å; A262-V300 PolarHBondContact N-O 3.04Å; V300-E302 PolarHBondContact O-N 2.93Å
301L98.9Very high98Very high0 Ų015 Ų150%09%0.086CC..EExtended strand (participates in β ladder)trans-61131.3-178.6179.666.5000111.1L31 A127 L128 V129 F264 L310L31-L301 HydrophobicContact CD2-CD2 3.77Å; A127-L301 PolarHBondContact O-N 2.99Å; L128-L301 HydrophobicContact CD2-CB 4.48Å; L128-L301 HydrophobicContact CD2-CD2 4.23Å; V129-L301 WeakPolarHBondContact CG2-O 3.43Å; F264-L301 HydrophobicContact CD2-CD1 3.7Å; F264-L301 HydrophobicContact CE2-CD1 3.75Å; L301-L310 HydrophobicContact CD1-CD1 3.95Å
302E98.9Very high98.2Very high0 Ų015.3 Ų15.30%09%0.087CC..  trans-115.1-112.1174.9-62.4-69.5168.500110.4R30 P132 G133 H134 D172 C261 A262 V300R30-E302 PolarHBondContact NH2-O 2.95Å; P132-E302 VanDerWaalsContact CB-OE2 3.28Å; P132-E302 WeakPolarHBondContact CB-OE2 3.15Å; G133-E302 PolarHBondContact N-OE2 2.96Å; H134-E302 IonicContact CD2-OE2 2.86Å; H134-E302 IonicContact CG-OE2 3.7Å; H134-E302 PolarHBondContact N-OE2 3.3Å; H134-E302 VanDerWaalsContact N-OE2 3.09Å; D172-E302 WeakPolarHBondContact OD2-CB 3.44Å; C261-E302 HydrophobicContact CB-CG 3.79Å; A262-E302 PolarHBondContact O-N 3.06Å; V300-E302 PolarHBondContact O-N 2.93Å
303G98.2Very high98.3Very high1 Ų115 Ų151%0.019%0.086CC..  trans-79.5-168.5177.400000115.6R30 D172 F264R30-G303 PolarHBondContact NH2-O 2.87Å; R30-G303 VanDerWaalsContact NH2-O 3.12Å; D172-G303 VanDerWaalsContact OD2-CA 3.24Å; D172-G303 WeakPolarHBondContact OD2-CA 3.18Å; D172-G303 PolarHBondContact OD2-N 3.41Å; F264-G303 PolarHBondContact N-O 3.04Å; F264-G303 VanDerWaalsContact N-O 3.11Å
304G98.6Very high98.4Very high0 Ų014.8 Ų14.80%08%0.084CC..  trans112109.7-173.600000112.2R30 D265R30-G304 PolarHBondContact NE-O 2.94Å; R30-G304 PolarHBondContact NH2-O 2.85Å; D265-G304 VanDerWaalsContact N-CA 3.28Å
305Y98.6Very high98.6Very high22 Ų2214.5 Ų14.59%0.0868%0.078CC..  trans-124.2-15.3-164.3-48.9-70.7000113.1I25 F144 D265 D270 E272 L307I25-Y305 HydrophobicContact CB-CD1 4.13Å; I25-Y305 HydrophobicContact CB-CG 4.25Å; I25-Y305 HydrophobicContact CD1-CD1 4.04Å; I25-Y305 HydrophobicContact CD1-CD2 4.02Å; I25-Y305 HydrophobicContact CD1-CE1 4.29Å; I25-Y305 HydrophobicContact CD1-CE2 4.26Å; I25-Y305 HydrophobicContact CD1-CG 3.91Å; I25-Y305 HydrophobicContact CG1-CD1 4.02Å; I25-Y305 HydrophobicContact CG1-CE1 4.36Å; I25-Y305 HydrophobicContact CG1-CG 4.28Å; F144-Y305 HydrophobicContact CD2-CE1 4.22Å; F144-Y305 AromaticContact CE2-CE1 3.98Å; F144-Y305 HydrophobicContact CE2-CE1 3.98Å; F144-Y305 AromaticContact CE2-CZ 3.85Å; F144-Y305 WeakPolarHBondContact CE2-OH 3.16Å; D265-Y305 HydrophobicContact CB-CD2 3.92Å; D265-Y305 HydrophobicContact CB-CE2 3.88Å; D265-Y305 VanDerWaalsContact OD2-CE2 3.24Å; D265-Y305 WeakPolarHBondContact OD2-CE2 3.36Å; D270-Y305 WeakPolarHBondContact OD2-CA 3.4Å; D270-Y305 PolarHBondContact OD2-N 3.08Å; E272-Y305 HydrophobicContact CB-CD2 4.1Å; E272-Y305 HydrophobicContact CB-CE2 4.27Å; E272-Y305 HydrophobicContact CG-CD2 3.73Å; E272-Y305 HydrophobicContact CG-CE2 3.95Å; Y305-L307 PolarHBondContact O-N 3.45Å
306N98.6Very high98.7Very high37 Ų3714.7 Ų14.720%0.1988%0.079CC..  trans-80.4111.5159.6-177.6-56.7000110.2G269 D270 T308 S309 L310G269-N306 WeakPolarHBondContact O-CB 3.4Å; G269-N306 PolarHBondContact O-ND2 3.37Å; D270-N306 PolarHBondContact OD2-N 2.91Å; D270-N306 VanDerWaalsContact OD2-N 3.13Å; N306-T308 PolarHBondContact O-N 2.73Å; N306-T308 WeakPolarHBondContact OD1-CB 3.36Å; N306-T308 PolarHBondContact OD1-N 2.93Å; N306-S309 WeakPolarHBondContact CB-OG 3.45Å; N306-S309 PolarHBondContact O-N 2.73Å; N306-S309 PolarHBondContact O-OG 2.75Å; N306-S309 PolarHBondContact OD1-N 2.85Å; N306-L310 WeakPolarHBondContact O-CB 3.37Å; N306-L310 PolarHBondContact O-N 2.7Å
307L98.6Very high98.7Very high62 Ų6212 Ų1233%0.3257%0.067SC..Hα-helixtrans-61.4-30.3-173.5-61.8-174.4000113.6E29 R30 V33 Y305 A311E29-L307 HydrophobicContact CB-CD1 4.03Å; E29-L307 HydrophobicContact CB-CD2 4.46Å; R30-L307 HydrophobicContact CB-CD2 4.48Å; R30-L307 HydrophobicContact CG-CD2 3.95Å; V33-L307 HydrophobicContact CG1-CB 4.47Å; V33-L307 HydrophobicContact CG1-CD1 4.27Å; V33-L307 HydrophobicContact CG2-CB 4.08Å; V33-L307 HydrophobicContact CG2-CD2 4.05Å; Y305-L307 PolarHBondContact O-N 3.45Å; L307-A311 WeakPolarHBondContact O-CB 3.48Å; L307-A311 PolarHBondContact O-N 2.94Å
308T98.4Very high98.7Very high70 Ų7011.9 Ų11.943%0.4297%0.067SC..Hα-helixtrans-74.4-52.4179.2-57.40000111N306 L310 A311 Q312 W413N306-T308 PolarHBondContact O-N 2.73Å; N306-T308 WeakPolarHBondContact OD1-CB 3.36Å; N306-T308 PolarHBondContact OD1-N 2.93Å; T308-L310 VanDerWaalsContact C-N 3.3Å; T308-L310 PolarHBondContact O-N 3.03Å; T308-A311 PolarHBondContact O-N 3.22Å; T308-Q312 WeakPolarHBondContact O-CG 3.28Å; T308-Q312 PolarHBondContact O-N 2.85Å; T308-Q312 VanDerWaalsContact O-N 3.07Å; T308-W413 HydrophobicContact CG2-CZ2 4.08Å
309S98.3Very high98.7Very high0 Ų013.2 Ų13.20%07%0.073CC..Hα-helixtrans-66-3618068.70000111.5I268 N306 Q312 S313I268-S309 WeakPolarHBondContact O-CB 3.26Å; I268-S309 PolarHBondContact O-OG 2.76Å; N306-S309 WeakPolarHBondContact CB-OG 3.45Å; N306-S309 PolarHBondContact O-N 2.73Å; N306-S309 PolarHBondContact O-OG 2.75Å; N306-S309 PolarHBondContact OD1-N 2.85Å; S309-Q312 PolarHBondContact O-N 3.14Å; S309-S313 VanDerWaalsContact O-CB 3.24Å; S309-S313 WeakPolarHBondContact O-CB 3.09Å; S309-S313 PolarHBondContact O-N 2.8Å; S309-S313 PolarHBondContact O-OG 3.26Å
310L98.9Very high98.7Very high0 Ų013.3 Ų13.30%07%0.073CC..Hα-helixtrans-57.1-56.1173172.562000111.2R30 V33 S34 F264 L301 N306 T308 Q312 S313 V314R30-L310 HydrophobicContact CB-CD2 3.81Å; R30-L310 HydrophobicContact CG-CD2 4.23Å; R30-L310 WeakPolarHBondContact O-CD2 3.45Å; V33-L310 HydrophobicContact CG2-CD2 4.44Å; S34-L310 WeakPolarHBondContact OG-CG 3.28Å; F264-L310 HydrophobicContact CB-CD1 3.96Å; F264-L310 HydrophobicContact CD2-CD1 3.62Å; F264-L310 HydrophobicContact CG-CD1 4.2Å; L301-L310 HydrophobicContact CD1-CD1 3.95Å; N306-L310 WeakPolarHBondContact O-CB 3.37Å; N306-L310 PolarHBondContact O-N 2.7Å; T308-L310 VanDerWaalsContact C-N 3.3Å; T308-L310 PolarHBondContact O-N 3.03Å; L310-Q312 VanDerWaalsContact C-N 3.32Å; L310-Q312 PolarHBondContact O-N 3.21Å; L310-S313 PolarHBondContact O-N 2.91Å; L310-V314 HydrophobicContact CD1-CG2 4Å; L310-V314 WeakPolarHBondContact O-CB 3.04Å; L310-V314 VanDerWaalsContact O-CG2 3.29Å; L310-V314 WeakPolarHBondContact O-CG2 3.4Å; L310-V314 PolarHBondContact O-N 3.36Å
311A98.8Very high98.6Very high12 Ų1213.3 Ų13.310%0.0997%0.073CC..Hα-helixtrans-60.8-40.2-17800000112.4V33 A37 L307 T308 C315V33-A311 HydrophobicContact CG2-CB 4.47Å; A37-A311 HydrophobicContact CB-CB 3.81Å; L307-A311 WeakPolarHBondContact O-CB 3.48Å; L307-A311 PolarHBondContact O-N 2.94Å; T308-A311 PolarHBondContact O-N 3.22Å; A311-C315 PolarHBondContact O-N 3.33Å; A311-C315 VanDerWaalsContact O-N 3.12Å; A311-C315 PolarHBondContact O-SG 3.37Å
312Q98.8Very high98.6Very high18 Ų1814.6 Ų14.68%0.0848%0.08CC..Hα-helixtrans-65.8-44.9176.2-72.1167.5-12.900111.5P279 T308 S309 L310 C315 Q316 E415 P416P279-Q312 HydrophobicContact CB-CB 3.72Å; P279-Q312 HydrophobicContact CG-CB 3.73Å; T308-Q312 WeakPolarHBondContact O-CG 3.28Å; T308-Q312 PolarHBondContact O-N 2.85Å; T308-Q312 VanDerWaalsContact O-N 3.07Å; S309-Q312 PolarHBondContact O-N 3.14Å; L310-Q312 VanDerWaalsContact C-N 3.32Å; L310-Q312 PolarHBondContact O-N 3.21Å; Q312-C315 WeakPolarHBondContact O-CB 3.24Å; Q312-C315 PolarHBondContact O-N 3.11Å; Q312-Q316 WeakPolarHBondContact O-CG 3.41Å; Q312-Q316 PolarHBondContact O-N 3.02Å; Q312-E415 PolarHBondContact NE2-OE1 2.91Å; Q312-E415 PolarHBondContact NE2-OE2 3.05Å; Q312-P416 HydrophobicContact CB-CG 4.18Å; Q312-P416 HydrophobicContact CG-CG 4.15Å
313S98.9Very high98.4Very high0 Ų016.9 Ų16.90%010%0.104CC..Hα-helixtrans-69.8-36.5-177.2-55.60000112.4P279 F282 S309 L310 Q316 T317P279-S313 WeakPolarHBondContact CB-OG 3.49Å; F282-S313 WeakPolarHBondContact CD2-OG 3.12Å; F282-S313 WeakPolarHBondContact CE2-OG 3.31Å; S309-S313 VanDerWaalsContact O-CB 3.24Å; S309-S313 WeakPolarHBondContact O-CB 3.09Å; S309-S313 PolarHBondContact O-N 2.8Å; S309-S313 PolarHBondContact O-OG 3.26Å; L310-S313 PolarHBondContact O-N 2.91Å; S313-Q316 PolarHBondContact O-N 3.34Å; S313-T317 WeakPolarHBondContact O-CB 3.44Å; S313-T317 PolarHBondContact O-N 2.95Å; S313-T317 PolarHBondContact O-OG1 3.43Å
314V98.9Very high98.2Very high0 Ų017.2 Ų17.20%011%0.105CC..Hα-helixtrans-59.7-48.2169.4169.10000110.5L38 M126 L128 F264 L310 Q316 T317 V318L38-V314 HydrophobicContact CD1-CG1 3.97Å; L38-V314 HydrophobicContact CD2-CG1 4.11Å; L38-V314 HydrophobicContact CG-CG1 4.06Å; M126-V314 HydrophobicContact CE-CG1 4.26Å; M126-V314 HydrophobicContact CE-CG2 4.03Å; M126-V314 HydrophobicContact SD-CG1 4.25Å; L128-V314 HydrophobicContact CD2-CG1 3.95Å; L128-V314 HydrophobicContact CD2-CG2 4.4Å; F264-V314 HydrophobicContact CD2-CG2 3.9Å; F264-V314 HydrophobicContact CE2-CG2 3.57Å; F264-V314 HydrophobicContact CZ-CG2 4.25Å; L310-V314 HydrophobicContact CD1-CG2 4Å; L310-V314 WeakPolarHBondContact O-CB 3.04Å; L310-V314 VanDerWaalsContact O-CG2 3.29Å; L310-V314 WeakPolarHBondContact O-CG2 3.4Å; L310-V314 PolarHBondContact O-N 3.36Å; V314-Q316 PolarHBondContact O-N 3.47Å; V314-T317 PolarHBondContact O-N 3.07Å; V314-V318 HydrophobicContact CG1-CG2 4.46Å; V314-V318 WeakPolarHBondContact O-CG2 3.42Å; V314-V318 PolarHBondContact O-N 3.04Å
315C98.8Very high98Very high15 Ų1518.3 Ų18.310%0.10111%0.112CC..Hα-helixtrans-58.4-46.5176.2-69.80000111.8L43 A311 Q312 T317 V318 Q319L43-C315 HydrophobicContact CD1-CB 3.97Å; A311-C315 PolarHBondContact O-N 3.33Å; A311-C315 VanDerWaalsContact O-N 3.12Å; A311-C315 PolarHBondContact O-SG 3.37Å; Q312-C315 WeakPolarHBondContact O-CB 3.24Å; Q312-C315 PolarHBondContact O-N 3.11Å; C315-T317 VanDerWaalsContact C-N 3.31Å; C315-T317 PolarHBondContact O-N 2.83Å; C315-V318 PolarHBondContact O-N 3.32Å; C315-Q319 WeakPolarHBondContact O-CB 3.25Å; C315-Q319 PolarHBondContact O-N 3.24Å
316Q98.8Very high97.8Very high6 Ų617.6 Ų17.63%0.02811%0.11CC..Hα-helixtrans-61.4-38.6179.7-72.4-64.3-10.300112.9P279 D280 A283 Q312 S313 V314 T320 R419P279-Q316 HydrophobicContact CB-CG 4.3Å; P279-Q316 WeakPolarHBondContact O-CB 3.31Å; P279-Q316 WeakPolarHBondContact O-CG 3.34Å; D280-Q316 PolarHBondContact OD1-NE2 2.91Å; A283-Q316 HydrophobicContact CB-CB 4.24Å; Q312-Q316 WeakPolarHBondContact O-CG 3.41Å; Q312-Q316 PolarHBondContact O-N 3.02Å; S313-Q316 PolarHBondContact O-N 3.34Å; V314-Q316 PolarHBondContact O-N 3.47Å; Q316-T320 PolarHBondContact O-N 3.24Å; Q316-T320 PolarHBondContact O-OG1 2.92Å; Q316-R419 PolarHBondContact O-NH1 3Å; Q316-R419 VanDerWaalsContact OE1-CD 3.23Å
317T98.9Very high97.6Very high1 Ų116.4 Ų16.41%0.00610%0.104CC..Hα-helixtrans-65.6-56.9175.4-58.40000110.8M126 W171 T286 S313 V314 C315 Q319 T320 L321M126-T317 HydrophobicContact SD-CG2 4.21Å; W171-T317 HydrophobicContact CH2-CG2 4.46Å; T286-T317 HydrophobicContact CG2-CG2 4.48Å; S313-T317 WeakPolarHBondContact O-CB 3.44Å; S313-T317 PolarHBondContact O-N 2.95Å; S313-T317 PolarHBondContact O-OG1 3.43Å; V314-T317 PolarHBondContact O-N 3.07Å; C315-T317 VanDerWaalsContact C-N 3.31Å; C315-T317 PolarHBondContact O-N 2.83Å; T317-Q319 VanDerWaalsContact C-N 3.33Å; T317-Q319 PolarHBondContact O-N 3.17Å; T317-T320 WeakPolarHBondContact O-CB 3.49Å; T317-T320 PolarHBondContact O-N 3.31Å; T317-T320 VanDerWaalsContact O-N 3.11Å; T317-L321 HydrophobicContact CG2-CD1 4.35Å; T317-L321 WeakPolarHBondContact O-CG 3.49Å; T317-L321 PolarHBondContact O-N 3.37Å
318V98.8Very high97.2Very high1 Ų116.8 Ų16.81%0.00610%0.104CC..Hα-helixtrans-61.4-41.8-177.7173.20000111.8L38 L43 M126 V314 C315 T320 L321 L322L38-V318 HydrophobicContact CD1-CG2 4.17Å; L38-V318 HydrophobicContact CD2-CB 3.81Å; L38-V318 HydrophobicContact CD2-CG1 4.02Å; L38-V318 HydrophobicContact CD2-CG2 3.85Å; L43-V318 HydrophobicContact CB-CG1 4.27Å; M126-V318 HydrophobicContact CB-CG2 4.29Å; M126-V318 HydrophobicContact SD-CG2 3.62Å; V314-V318 HydrophobicContact CG1-CG2 4.46Å; V314-V318 WeakPolarHBondContact O-CG2 3.42Å; V314-V318 PolarHBondContact O-N 3.04Å; C315-V318 PolarHBondContact O-N 3.32Å; V318-T320 PolarHBondContact O-N 2.86Å; V318-L321 WeakPolarHBondContact O-CB 3.25Å; V318-L321 PolarHBondContact O-N 3.02Å; V318-L321 VanDerWaalsContact O-N 3.16Å; V318-L322 HydrophobicContact CG1-CD1 3.99Å; V318-L322 WeakPolarHBondContact O-CG 3.12Å; V318-L322 PolarHBondContact O-N 3.14Å
319Q97.9Very high96.8Very high29 Ų2913.9 Ų13.914%0.1369%0.086CC..Hα-helixtrans-61.5-35.1178.5-173.6158.431.700112.2L43 C315 T317 D324 R419L43-Q319 HydrophobicContact CD1-CB 4.13Å; L43-Q319 HydrophobicContact CD2-CB 4Å; L43-Q319 HydrophobicContact CD2-CG 4.11Å; C315-Q319 WeakPolarHBondContact O-CB 3.25Å; C315-Q319 PolarHBondContact O-N 3.24Å; T317-Q319 VanDerWaalsContact C-N 3.33Å; T317-Q319 PolarHBondContact O-N 3.17Å; Q319-D324 HydrophobicContact CG-CB 3.6Å; Q319-D324 VanDerWaalsContact CG-OD2 3.24Å; Q319-D324 WeakPolarHBondContact CG-OD2 3.43Å; Q319-D324 PolarHBondContact NE2-OD2 3Å; Q319-D324 WeakPolarHBondContact O-CB 3.45Å; Q319-D324 PolarHBondContact O-N 3.11Å; Q319-D324 VanDerWaalsContact O-N 3.17Å; Q319-R419 PolarHBondContact NE2-O 3.27Å
320T98.4Very high95.4Very high3 Ų316.9 Ų16.92%0.01811%0.111CC..Hα-helixtrans-71.6-42173.4-55.50000112.4A283 T286 H287 M290 Q316 T317 V318 L322 G323 L326 R419A283-T320 VanDerWaalsContact CA-OG1 3.26Å; A283-T320 WeakPolarHBondContact CA-OG1 3.46Å; A283-T320 VanDerWaalsContact CB-OG1 3.29Å; A283-T320 WeakPolarHBondContact CB-OG1 3.49Å; A283-T320 WeakPolarHBondContact O-CG2 3.04Å; T286-T320 HydrophobicContact CG2-CG2 3.89Å; H287-T320 HydrophobicContact CB-CG2 3.86Å; M290-T320 HydrophobicContact SD-CG2 3.96Å; Q316-T320 PolarHBondContact O-N 3.24Å; Q316-T320 PolarHBondContact O-OG1 2.92Å; T317-T320 WeakPolarHBondContact O-CB 3.49Å; T317-T320 PolarHBondContact O-N 3.31Å; T317-T320 VanDerWaalsContact O-N 3.11Å; V318-T320 PolarHBondContact O-N 2.86Å; T320-L322 PolarHBondContact O-N 3.27Å; T320-G323 WeakPolarHBondContact O-CA 3.45Å; T320-G323 PolarHBondContact O-N 3.47Å; T320-L326 HydrophobicContact CG2-CD2 3.77Å; T320-R419 PolarHBondContact OG1-NH1 3.36Å; T320-R419 VanDerWaalsContact OG1-NH1 3.13Å; T320-R419 PolarHBondContact OG1-NH2 2.78Å
321L98.5Very high94.2Very high2 Ų224.1 Ų24.11%0.0115%0.149CC..Hα-helixtrans-57.3-35.9175.5-66.1174.8000112T3 N124 M126 T286 M290 L297 T317 V318 G323T3-L321 HydrophobicContact CG2-CB 3.62Å; T3-L321 HydrophobicContact CG2-CD1 4.25Å; T3-L321 VanDerWaalsContact OG1-C 3.3Å; T3-L321 PolarHBondContact OG1-O 2.93Å; T3-L321 VanDerWaalsContact OG1-O 3.04Å; N124-L321 HydrophobicContact CB-CD2 4.06Å; N124-L321 PolarHBondContact ND2-O 2.92Å; N124-L321 PolarHBondContact OD1-O 2.84Å; M126-L321 HydrophobicContact CB-CD1 4.16Å; T286-L321 HydrophobicContact CG2-CD2 3.6Å; T286-L321 HydrophobicContact CG2-CG 3.97Å; M290-L321 HydrophobicContact CG-CD2 4.4Å; M290-L321 HydrophobicContact SD-CD2 4.06Å; L297-L321 HydrophobicContact CD2-CD2 3.86Å; T317-L321 HydrophobicContact CG2-CD1 4.35Å; T317-L321 WeakPolarHBondContact O-CG 3.49Å; T317-L321 PolarHBondContact O-N 3.37Å; V318-L321 WeakPolarHBondContact O-CB 3.25Å; V318-L321 PolarHBondContact O-N 3.02Å; V318-L321 VanDerWaalsContact O-N 3.16Å; L321-G323 PolarHBondContact O-N 2.94Å
322L97.4Very high93.7Very high28 Ų2825 Ų2515%0.14715%0.152CC..THydrogen-bonded Turntrans-72.1-5.7174.4-71.3165.9000114.5L43 R46 V318 T320 R421L43-L322 HydrophobicContact CD2-CD1 3.91Å; R46-L322 HydrophobicContact CB-CD1 4.02Å; R46-L322 HydrophobicContact CB-CD2 3.97Å; R46-L322 WeakPolarHBondContact O-CD2 3.49Å; V318-L322 HydrophobicContact CG1-CD1 3.99Å; V318-L322 WeakPolarHBondContact O-CG 3.12Å; V318-L322 PolarHBondContact O-N 3.14Å; T320-L322 PolarHBondContact O-N 3.27Å; L322-R421 PolarHBondContact O-NH2 2.72Å
323G95.1Very high93.1Very high48 Ų4831.9 Ų31.950%0.49518%0.178SC..THydrogen-bonded Turntrans80.52417700000114.9T320 L321T320-G323 WeakPolarHBondContact O-CA 3.45Å; T320-G323 PolarHBondContact O-N 3.47Å; L321-G323 PolarHBondContact O-N 2.94Å
324D95.3Very high92.8Very high8 Ų834.7 Ų34.74%0.04320%0.197CC..  trans-75.2150.1174.6-73.1-6.7000112R46 Q319 L326 R419 R421R46-D324 IonicContact CZ-OD1 2.89Å; R46-D324 IonicContact CZ-OD2 3.32Å; R46-D324 VanDerWaalsContact CZ-OD2 3.24Å; R46-D324 IonicContact NH1-OD1 3.99Å; R46-D324 IonicContact NH1-OD2 3.57Å; R46-D324 PolarHBondContact NH1-OD2 3.15Å; R46-D324 IonicContact NH2-OD1 2.7Å; R46-D324 PolarHBondContact NH2-OD1 3.41Å; R46-D324 IonicContact NH2-OD2 3.52Å; R46-D324 PolarHBondContact NH2-OD2 3.06Å; Q319-D324 HydrophobicContact CG-CB 3.6Å; Q319-D324 VanDerWaalsContact CG-OD2 3.24Å; Q319-D324 WeakPolarHBondContact CG-OD2 3.43Å; Q319-D324 PolarHBondContact NE2-OD2 3Å; Q319-D324 WeakPolarHBondContact O-CB 3.45Å; Q319-D324 PolarHBondContact O-N 3.11Å; Q319-D324 VanDerWaalsContact O-N 3.17Å; D324-L326 PolarHBondContact O-N 2.89Å; D324-R419 PolarHBondContact O-NH2 3.31Å; D324-R421 IonicContact OD1-CZ 2.83Å; D324-R421 VanDerWaalsContact OD1-CZ 3.24Å; D324-R421 IonicContact OD1-NE 2.83Å; D324-R421 PolarHBondContact OD1-NE 3.31Å; D324-R421 IonicContact OD1-NH2 3.08Å; D324-R421 PolarHBondContact OD1-NH2 3.19Å
325P93.8Very high92.6Very high23 Ų2334.8 Ų34.815%0.14920%0.198CC..  trans-44.4138.3172.8-33.439.5000113.2R419 K608P325-R419 VanDerWaalsContact O-CZ 3.3Å; P325-R419 PolarHBondContact O-NE 3.25Å; P325-R419 PolarHBondContact O-NH2 3.13Å; P325-R419 VanDerWaalsContact O-NH2 3.11Å; P325-K608 HydrophobicContact CB-CB 4.26Å; P325-K608 WeakPolarHBondContact CB-O 3.26Å
326L95Very high92.5Very high6 Ų636.1 Ų36.13%0.03121%0.207CC..PPolyproline II helixtrans-71150.1175.7-63.1-166.3000111.7A283 H284 H287 T320 D324 G605A283-L326 HydrophobicContact CB-CD2 4.05Å; H284-L326 WeakPolarHBondContact ND1-CD1 3.4Å; H287-L326 HydrophobicContact CB-CD1 3.68Å; H287-L326 HydrophobicContact CB-CD2 4Å; H287-L326 HydrophobicContact CB-CG 4.34Å; T320-L326 HydrophobicContact CG2-CD2 3.77Å; D324-L326 PolarHBondContact O-N 2.89Å; L326-G605 VanDerWaalsContact CD1-CA 3.46Å
327P94.1Very high92.4Very high12 Ų1240.2 Ų40.28%0.07823%0.226CC..PPolyproline II helixtrans-64.3168.7167.630.8-33.6000110.5D280 A283 H284D280-P327 HydrophobicContact CB-CB 4.15Å; D280-P327 HydrophobicContact CB-CG 3.67Å; A283-P327 HydrophobicContact CB-CG 3.99Å; H284-P327 PolarHBondContact CE1-O 3Å; H284-P327 VanDerWaalsContact CE1-O 3.31Å; H284-P327 PolarHBondContact NE2-O 2.78Å
328Q89.7Confident92.3Very high71 Ų7140.5 Ų40.533%0.33223%0.228SC..PPolyproline II helixtrans-93129.4169.7-83.4176.8-50.200109.3A330 K608Q328-A330 VanDerWaalsContact C-N 3.33Å; Q328-A330 PolarHBondContact O-N 3.13Å; Q328-A330 VanDerWaalsContact O-N 3.17Å; Q328-K608 HydrophobicContact CG-CG 4.22Å; Q328-K608 VanDerWaalsContact OE1-CE 3.24Å
329L89.2Confident92.2Very high9 Ų940.6 Ų40.65%0.04723%0.229CC..  trans-86.379.6169.9-59.9176.6000108.4L239 D280 I281 H284 L332 Y574L239-L329 HydrophobicContact CD1-CD1 3.74Å; D280-L329 HydrophobicContact CB-CD2 3.76Å; I281-L329 HydrophobicContact CD1-CD1 3.82Å; H284-L329 HydrophobicContact CB-CD1 4.28Å; H284-L329 VanDerWaalsContact CD2-CD1 3.44Å; H284-L329 WeakPolarHBondContact CD2-CD1 3.45Å; H284-L329 WeakPolarHBondContact NE2-CG 3.37Å; L329-L332 HydrophobicContact CB-CD1 4.39Å; L329-L332 HydrophobicContact CB-CD2 4.05Å; L329-L332 HydrophobicContact CB-CG 4.17Å; L329-Y574 HydrophobicContact CD1-CD1 4.35Å; L329-Y574 HydrophobicContact CD1-CE1 4.11Å
330A70.5Confident92.2Very high63 Ų6339.2 Ų39.252%0.52122%0.223SC..THydrogen-bonded Turntrans-66142.2-179.700000111.4Q328Q328-A330 VanDerWaalsContact C-N 3.33Å; Q328-A330 PolarHBondContact O-N 3.13Å; Q328-A330 VanDerWaalsContact O-N 3.17Å
331N72.2Confident92.1Very high151 Ų15140.3 Ų40.381%0.80723%0.228SC*.THydrogen-bonded Turntrans60.742.6172.7-49.2-54.4000114.8R333N331-R333 PolarHBondContact O-N 2.98Å
332L88Confident92Very high31 Ų3140.2 Ų40.216%0.16223%0.227CC..  trans-54.5129.4167.7-69.6179.3000110N235 L239 L329 Y574N235-L332 HydrophobicContact CB-CD2 3.62Å; L239-L332 HydrophobicContact CD1-CD1 3.65Å; L239-L332 HydrophobicContact CD1-CD2 4.16Å; L329-L332 HydrophobicContact CB-CD1 4.39Å; L329-L332 HydrophobicContact CB-CD2 4.05Å; L329-L332 HydrophobicContact CB-CG 4.17Å; L332-Y574 HydrophobicContact CD1-CD1 4.13Å; L332-Y574 HydrophobicContact CD1-CG 4.39Å
333R86.9Confident92Very high162 Ų16239 Ų3961%0.61122%0.221SC*.  trans-92.9175.4176-63.5-176.8-179.1156.8-4110E234 S236 N331E234-R333 IonicContact OE1-CZ 3.37Å; E234-R333 IonicContact OE1-NH1 2.7Å; E234-R333 PolarHBondContact OE1-NH1 3.26Å; E234-R333 WeakPolarHBondContact OE2-CD 3.49Å; E234-R333 IonicContact OE2-NH1 3.24Å; S236-R333 WeakPolarHBondContact CB-O 3.44Å; N331-R333 PolarHBondContact O-N 2.98Å
334S92.3Very high91.9Very high59 Ų5937.7 Ų37.741%0.41320%0.202SC..PPolyproline II helixtrans-58.2145.9163.256.10000109.8K664S334-K664 VanDerWaalsContact CB-CB 3.49Å
335P95.8Very high92Very high3 Ų337.4 Ų37.42%0.01920%0.201CC..PPolyproline II helixtrans-55.3144.5163.7-21.935.8000109.6D237 S240 L340 K664 M665D237-P335 VanDerWaalsContact OD1-CA 3.24Å; D237-P335 WeakPolarHBondContact OD1-CA 3.05Å; S240-P335 WeakPolarHBondContact OG-CG 3Å; P335-L340 HydrophobicContact CB-CD2 3.93Å; P335-L340 HydrophobicContact CB-CG 4.07Å; P335-L340 HydrophobicContact CG-CD2 4.35Å; P335-K664 WeakPolarHBondContact CD-O 3.38Å; P335-M665 HydrophobicContact CG-SD 4.27Å
336C96.3Very high92.2Very high43 Ų4336.3 Ų36.329%0.29119%0.194SC..PPolyproline II helixtrans-72.8158.6178.370.40000111.3D237 S338 A339 L340D237-C336 PolarHBondContact OD1-N 3.38Å; D237-C336 PolarHBondContact OD1-SG 3.35Å; C336-S338 VanDerWaalsContact C-N 3.28Å; C336-S338 PolarHBondContact O-N 3.11Å; C336-A339 WeakPolarHBondContact O-CB 3.39Å; C336-A339 PolarHBondContact O-N 3.49Å; C336-A339 VanDerWaalsContact O-N 3.1Å; C336-A339 VanDerWaalsContact SG-CB 3.54Å; C336-A339 PolarHBondContact SG-N 2.72Å; C336-A339 VanDerWaalsContact SG-N 3.4Å; C336-L340 WeakPolarHBondContact O-CG 3.39Å; C336-L340 PolarHBondContact O-N 3.04Å
337E96.6Very high92.2Very high91 Ų9136.7 Ų36.743%0.42519%0.194SC..Hα-helixtrans-58.7-38.4-178.3-69.5-62.4153.500112.6A339 L340 E341 G670 E671E337-A339 PolarHBondContact O-N 3.18Å; E337-L340 PolarHBondContact O-N 3.46Å; E337-E341 PolarHBondContact O-N 3.36Å; E337-G670 WeakPolarHBondContact OE2-CA 3.39Å; E337-E671 PolarHBondContact OE2-N 3.11Å
338S96.9Very high92.2Very high8 Ų837 Ų376%0.05620%0.197CC..Hα-helixtrans-64.2-38.8176.6-179.80000112.4E230 C336 S342E230-S338 WeakPolarHBondContact CG-OG 3.3Å; E230-S338 PolarHBondContact N-OG 3.04Å; C336-S338 VanDerWaalsContact C-N 3.28Å; C336-S338 PolarHBondContact O-N 3.11Å; S338-S342 PolarHBondContact O-N 3.38Å; S338-S342 VanDerWaalsContact O-N 3.13Å; S338-S342 PolarHBondContact O-OG 2.88Å
339A97.5Very high92.5Very high3 Ų334.7 Ų34.73%0.02519%0.188CC..Hα-helixtrans-67.1-41.4173.700000111.4W228 M233 D237 C336 E337 S342 L343W228-A339 HydrophobicContact CE3-CB 4.42Å; W228-A339 HydrophobicContact CH2-CB 4.5Å; W228-A339 HydrophobicContact CZ3-CB 3.73Å; M233-A339 HydrophobicContact SD-CB 3.94Å; D237-A339 HydrophobicContact CB-CB 3.9Å; D237-A339 WeakPolarHBondContact OD1-CB 3.43Å; C336-A339 WeakPolarHBondContact O-CB 3.39Å; C336-A339 PolarHBondContact O-N 3.49Å; C336-A339 VanDerWaalsContact O-N 3.1Å; C336-A339 VanDerWaalsContact SG-CB 3.54Å; C336-A339 PolarHBondContact SG-N 2.72Å; C336-A339 VanDerWaalsContact SG-N 3.4Å; E337-A339 PolarHBondContact O-N 3.18Å; A339-S342 PolarHBondContact O-N 2.96Å; A339-L343 WeakPolarHBondContact O-CB 3.23Å; A339-L343 PolarHBondContact O-N 2.66Å
340L96.8Very high92.9Very high0 Ų034.3 Ų34.30%019%0.186CC..Hα-helixtrans-65.1-39.1176.2-67.3175000112.5P335 C336 E337 S342 Q344 Q667P335-L340 HydrophobicContact CB-CD2 3.93Å; P335-L340 HydrophobicContact CB-CG 4.07Å; P335-L340 HydrophobicContact CG-CD2 4.35Å; C336-L340 WeakPolarHBondContact O-CG 3.39Å; C336-L340 PolarHBondContact O-N 3.04Å; E337-L340 PolarHBondContact O-N 3.46Å; L340-S342 VanDerWaalsContact C-N 3.35Å; L340-Q344 VanDerWaalsContact O-CB 3.25Å; L340-Q344 WeakPolarHBondContact O-CB 3.23Å; L340-Q344 PolarHBondContact O-N 3.02Å; L340-Q667 HydrophobicContact CD1-CB 4.12Å; L340-Q667 HydrophobicContact CD2-CB 3.8Å; L340-Q667 WeakPolarHBondContact CD2-O 3.23Å
341E96.3Very high94Very high25 Ų2534.7 Ų34.712%0.11717%0.174CC..Hα-helixtrans-56.1-51.4171.6-177.2179.7175.900110.2R199 E337 Q344 C345 W672R199-E341 IonicContact CZ-OE1 2.86Å; R199-E341 IonicContact NH1-OE1 3.16Å; R199-E341 PolarHBondContact NH1-OE1 2.78Å; R199-E341 IonicContact NH2-OE1 3.41Å; R199-E341 PolarHBondContact NH2-OE1 2.98Å; R199-E341 IonicContact NH2-OE2 3.87Å; R199-E341 PolarHBondContact NH2-OE2 3.4Å; E337-E341 PolarHBondContact O-N 3.36Å; E341-Q344 PolarHBondContact O-N 3.4Å; E341-C345 WeakPolarHBondContact O-CB 3.43Å; E341-C345 PolarHBondContact O-N 3.23Å; E341-C345 PolarHBondContact O-SG 3.05Å; E341-W672 HydrophobicContact CB-CH2 4.43Å; E341-W672 HydrophobicContact CB-CZ2 3.81Å; E341-W672 HydrophobicContact CG-CH2 4.11Å; E341-W672 HydrophobicContact CG-CZ2 3.66Å
342S97.2Very high95.1Very high1 Ų135.1 Ų35.11%0.00716%0.164CC..Hα-helixtrans-63.6-46.8-176.9-53.20000110.9P227 S338 A339 L340 Q344 C345 V346P227-S342 WeakPolarHBondContact O-CB 3.45Å; P227-S342 PolarHBondContact O-OG 3.13Å; S338-S342 PolarHBondContact O-N 3.38Å; S338-S342 VanDerWaalsContact O-N 3.13Å; S338-S342 PolarHBondContact O-OG 2.88Å; A339-S342 PolarHBondContact O-N 2.96Å; L340-S342 VanDerWaalsContact C-N 3.35Å; S342-Q344 PolarHBondContact O-N 3.5Å; S342-C345 PolarHBondContact O-N 2.93Å; S342-V346 WeakPolarHBondContact O-CG2 3.44Å; S342-V346 PolarHBondContact O-N 2.89Å
343L95.8Very high95.4Very high2 Ų237.9 Ų37.91%0.0117%0.173CC..Hα-helixtrans-61.1-42.5177.2-177.1152.8000111.9V241 H244 V245 A339 R347 T668V241-L343 HydrophobicContact CG2-CD1 4.32Å; H244-L343 HydrophobicContact CB-CD1 4.03Å; H244-L343 HydrophobicContact CB-CD2 4.38Å; H244-L343 HydrophobicContact CB-CG 4.46Å; V245-L343 HydrophobicContact CG2-CG 4.25Å; A339-L343 WeakPolarHBondContact O-CB 3.23Å; A339-L343 PolarHBondContact O-N 2.66Å; L343-R347 HydrophobicContact CD2-CG 4.48Å; L343-R347 WeakPolarHBondContact O-CB 3.24Å; L343-R347 WeakPolarHBondContact O-CD 3.45Å; L343-R347 VanDerWaalsContact O-CG 3.25Å; L343-R347 WeakPolarHBondContact O-CG 3.36Å; L343-R347 PolarHBondContact O-N 3Å; L343-T668 VanDerWaalsContact CD2-CA 3.46Å; L343-T668 HydrophobicContact CD2-CG2 4.03Å; L343-T668 WeakPolarHBondContact CD2-O 3.46Å
344Q95Very high95.8Very high20 Ų2030.7 Ų30.79%0.09315%0.146CC..Hα-helixtrans-63-44.6175.6-179.3174.81000111.7L340 E341 S342 S348 Y363 T669L340-Q344 VanDerWaalsContact O-CB 3.25Å; L340-Q344 WeakPolarHBondContact O-CB 3.23Å; L340-Q344 PolarHBondContact O-N 3.02Å; E341-Q344 PolarHBondContact O-N 3.4Å; S342-Q344 PolarHBondContact O-N 3.5Å; Q344-S348 WeakPolarHBondContact O-CB 3.46Å; Q344-S348 PolarHBondContact O-N 3.48Å; Q344-Y363 HydrophobicContact CG-CD2 4.06Å; Q344-T669 HydrophobicContact CB-CG2 4.38Å; Q344-T669 HydrophobicContact CG-CG2 3.95Å
345C96Very high95.7Very high3 Ų328.5 Ų28.52%0.0213%0.131CC..Hα-helixtrans-62.6-47.4179.3-70.20000111.5Y211 E341 S342 S348 V349Y211-C345 HydrophobicContact CD1-CB 3.67Å; Y211-C345 HydrophobicContact CD2-CB 3.76Å; Y211-C345 HydrophobicContact CE1-CB 3.71Å; Y211-C345 HydrophobicContact CE2-CB 3.8Å; Y211-C345 HydrophobicContact CG-CB 3.72Å; E341-C345 WeakPolarHBondContact O-CB 3.43Å; E341-C345 PolarHBondContact O-N 3.23Å; E341-C345 PolarHBondContact O-SG 3.05Å; S342-C345 PolarHBondContact O-N 2.93Å; C345-S348 WeakPolarHBondContact O-CB 3.24Å; C345-S348 PolarHBondContact O-N 3.07Å; C345-V349 PolarHBondContact O-N 3.31Å; C345-V349 VanDerWaalsContact O-N 3.09Å
346V97.5Very high95.4Very high0 Ų029.2 Ų29.20%013%0.134CC..Hα-helixtrans-61.7-49.4178.7175.70000111.2V224 N225 V226 V245 S342 S348 V349 Q350V224-V346 HydrophobicContact CG1-CG1 3.83Å; N225-V346 WeakPolarHBondContact O-CG2 3.45Å; V226-V346 HydrophobicContact CB-CG2 4.46Å; V226-V346 HydrophobicContact CG1-CG2 4.46Å; V226-V346 HydrophobicContact CG2-CG1 4.33Å; V226-V346 HydrophobicContact CG2-CG2 4.14Å; V245-V346 HydrophobicContact CG1-CG1 3.76Å; V245-V346 HydrophobicContact CG2-CG1 4.36Å; S342-V346 WeakPolarHBondContact O-CG2 3.44Å; S342-V346 PolarHBondContact O-N 2.89Å; V346-S348 VanDerWaalsContact C-N 3.26Å; V346-S348 PolarHBondContact O-N 3.21Å; V346-V349 VanDerWaalsContact O-CG2 3.28Å; V346-V349 WeakPolarHBondContact O-CG2 3.09Å; V346-V349 PolarHBondContact O-N 3.38Å; V346-Q350 HydrophobicContact CG1-CG 4.05Å; V346-Q350 VanDerWaalsContact O-CB 3.27Å; V346-Q350 WeakPolarHBondContact O-CB 3.41Å; V346-Q350 VanDerWaalsContact O-CG 3.28Å; V346-Q350 WeakPolarHBondContact O-CG 3.22Å; V346-Q350 PolarHBondContact O-N 3.31Å
347R95.5Very high95.2Very high13 Ų1327.3 Ų27.35%0.04912%0.121CC..Hα-helixtrans-59.5-39.3176.9-72.8168.161.479.5-5.4111.7H244 V245 L343 R351 A360 E653H244-R347 PolarHBondContact O-NH1 3.31Å; V245-R347 HydrophobicContact CG2-CG 3.96Å; L343-R347 HydrophobicContact CD2-CG 4.48Å; L343-R347 WeakPolarHBondContact O-CB 3.24Å; L343-R347 WeakPolarHBondContact O-CD 3.45Å; L343-R347 VanDerWaalsContact O-CG 3.25Å; L343-R347 WeakPolarHBondContact O-CG 3.36Å; L343-R347 PolarHBondContact O-N 3Å; R347-R351 WeakPolarHBondContact O-CB 3.49Å; R347-R351 PolarHBondContact O-N 2.99Å; R347-A360 HydrophobicContact CB-CB 3.93Å; R347-E653 IonicContact NH2-OE1 3.7Å
348S94.3Very high94.7Very high18 Ų1827 Ų2713%0.12612%0.118CC..Hα-helixtrans-64.8-37.1179.9178.70000113.4Q344 C345 V346 R351 Y363Q344-S348 WeakPolarHBondContact O-CB 3.46Å; Q344-S348 PolarHBondContact O-N 3.48Å; C345-S348 WeakPolarHBondContact O-CB 3.24Å; C345-S348 PolarHBondContact O-N 3.07Å; V346-S348 VanDerWaalsContact C-N 3.26Å; V346-S348 PolarHBondContact O-N 3.21Å; S348-R351 VanDerWaalsContact O-CG 3.28Å; S348-R351 WeakPolarHBondContact O-CG 3.25Å; S348-Y363 WeakPolarHBondContact OG-CB 3.5Å; S348-Y363 PolarHBondContact OG-N 2.77Å
349V96.4Very high93.8Very high24 Ų2429.1 Ų29.115%0.14513%0.127CC..Hα-helixtrans-82.3-38.6176.4-60.60000111.9Y211 V214 C345 V346Y211-V349 HydrophobicContact CD2-CG1 3.87Å; Y211-V349 HydrophobicContact CD2-CG2 4.16Å; Y211-V349 HydrophobicContact CE2-CG1 3.96Å; Y211-V349 WeakPolarHBondContact O-CG2 3.44Å; V214-V349 HydrophobicContact CG1-CB 4.26Å; V214-V349 HydrophobicContact CG1-CG2 3.93Å; C345-V349 PolarHBondContact O-N 3.31Å; C345-V349 VanDerWaalsContact O-N 3.09Å; V346-V349 VanDerWaalsContact O-CG2 3.28Å; V346-V349 WeakPolarHBondContact O-CG2 3.09Å; V346-V349 PolarHBondContact O-N 3.38Å
350Q96.9Very high92.7Very high0 Ų029 Ų290%013%0.126CC..Hα-helixtrans-75.5-24.2-175-69.5-61.8-8.200114.2G221 N223 V224 V346 R352 Y353 W354 L357G221-Q350 PolarHBondContact O-OE1 2.83Å; N223-Q350 PolarHBondContact O-NE2 3.22Å; V224-Q350 HydrophobicContact CG1-CG 4.31Å; V224-Q350 HydrophobicContact CG2-CG 4.47Å; V346-Q350 HydrophobicContact CG1-CG 4.05Å; V346-Q350 VanDerWaalsContact O-CB 3.27Å; V346-Q350 WeakPolarHBondContact O-CB 3.41Å; V346-Q350 VanDerWaalsContact O-CG 3.28Å; V346-Q350 WeakPolarHBondContact O-CG 3.22Å; V346-Q350 PolarHBondContact O-N 3.31Å; Q350-R352 PolarHBondContact O-N 3.49Å; Q350-Y353 PolarHBondContact O-N 2.92Å; Q350-W354 PolarHBondContact O-N 2.85Å; Q350-W354 VanDerWaalsContact O-N 3.09Å; Q350-L357 HydrophobicContact CB-CD1 3.83Å
351R94.1Very high91.4Very high72 Ų7232.5 Ų32.527%0.27215%0.147SC..THydrogen-bonded Turntrans-58.2-15176.767.9176.8-67.6-160.8-0115.1R347 S348 Y353 L357 K358 A360 P362R347-R351 WeakPolarHBondContact O-CB 3.49Å; R347-R351 PolarHBondContact O-N 2.99Å; S348-R351 VanDerWaalsContact O-CG 3.28Å; S348-R351 WeakPolarHBondContact O-CG 3.25Å; R351-Y353 VanDerWaalsContact C-N 3.29Å; R351-L357 HydrophobicContact CB-CB 4.18Å; R351-L357 WeakPolarHBondContact CB-O 3.3Å; R351-K358 VanDerWaalsContact CZ-O 3.26Å; R351-K358 PolarHBondContact NE-O 2.88Å; R351-K358 PolarHBondContact NH2-O 3.16Å; R351-A360 HydrophobicContact CB-CB 4.46Å; R351-A360 WeakPolarHBondContact CD-O 3.49Å; R351-A360 PolarHBondContact NE-O 2.78Å; R351-A360 PolarHBondContact NH1-O 3.35Å; R351-P362 VanDerWaalsContact NH1-CG 3.29Å
352R94.6Very high89.9Confident159 Ų15933.9 Ų33.960%0.616%0.159SC*.THydrogen-bonded Turntrans-72.2-26.6175-62.4179.8-176.1-177.92112.1Q350Q350-R352 PolarHBondContact O-N 3.49Å
353Y95.6Very high87.9Confident89 Ų8936.4 Ų36.435%0.34917%0.168SC..THydrogen-bonded Turntrans-109.6-35.3-172-49.6-71.4000111.9V214 A220 G221 Q350 R351V214-Y353 HydrophobicContact CB-CE2 4.03Å; V214-Y353 HydrophobicContact CG1-CE2 4.34Å; V214-Y353 HydrophobicContact CG2-CE2 3.69Å; V214-Y353 WeakPolarHBondContact CG2-OH 3.29Å; A220-Y353 HydrophobicContact CB-CE1 4Å; G221-Y353 VanDerWaalsContact CA-CD2 3.49Å; Q350-Y353 PolarHBondContact O-N 2.92Å; R351-Y353 VanDerWaalsContact C-N 3.29Å
354W94.8Very high85.8Confident12 Ų1243.8 Ų43.85%0.04520%0.201CC..  trans-105.2119.6-174.5-60.798.1000111.8L190 G221 F222 V249 E252 F253 Q350 I356 L357 K358L190-W354 HydrophobicContact CD1-CZ2 3.98Å; L190-W354 HydrophobicContact CD2-CH2 4.21Å; L190-W354 HydrophobicContact CD2-CZ2 4.31Å; G221-W354 WeakPolarHBondContact O-CZ2 3.23Å; G221-W354 PolarHBondContact O-NE1 3.31Å; F222-W354 HydrophobicContact CD1-CH2 4.19Å; F222-W354 HydrophobicContact CD1-CZ2 4.14Å; F222-W354 AromaticContact CE1-CH2 3.91Å; F222-W354 HydrophobicContact CE1-CH2 3.91Å; F222-W354 HydrophobicContact CE1-CZ2 4.2Å; V249-W354 HydrophobicContact CB-CD2 4.28Å; V249-W354 HydrophobicContact CG1-CD2 3.65Å; V249-W354 VanDerWaalsContact CG1-CE2 3.44Å; V249-W354 HydrophobicContact CG1-CE3 3.96Å; V249-W354 HydrophobicContact CG1-CG 4.27Å; V249-W354 HydrophobicContact CG1-CH2 3.89Å; V249-W354 HydrophobicContact CG1-CZ2 3.58Å; V249-W354 HydrophobicContact CG1-CZ3 4.07Å; V249-W354 HydrophobicContact CG2-CB 4.26Å; V249-W354 HydrophobicContact CG2-CD2 4.04Å; V249-W354 HydrophobicContact CG2-CG 3.8Å; E252-W354 HydrophobicContact CB-CE3 3.97Å; E252-W354 HydrophobicContact CB-CZ3 4.17Å; E252-W354 HydrophobicContact CG-CE3 3.91Å; E252-W354 HydrophobicContact CG-CZ3 4.18Å; F253-W354 HydrophobicContact CB-CH2 3.8Å; F253-W354 HydrophobicContact CB-CZ3 3.89Å; F253-W354 AromaticContact CD2-CH2 3.93Å; F253-W354 HydrophobicContact CD2-CH2 3.93Å; F253-W354 HydrophobicContact CG-CH2 4.22Å; Q350-W354 PolarHBondContact O-N 2.85Å; Q350-W354 VanDerWaalsContact O-N 3.09Å; W354-I356 VanDerWaalsContact C-N 3.27Å; W354-I356 PolarHBondContact O-N 3.37Å; W354-L357 HydrophobicContact CB-CB 4.26Å; W354-L357 HydrophobicContact CB-CD1 4.16Å; W354-L357 HydrophobicContact CB-CG 4.13Å; W354-L357 PolarHBondContact O-N 3.15Å; W354-L357 VanDerWaalsContact O-N 3.14Å; W354-K358 PolarHBondContact O-N 2.79Å
355S90.4Very high83.5Confident13 Ų1345.6 Ų45.69%0.09121%0.211CC..G310 helixtrans-63.5-36-177.1-60.90000112.4E252 L357 K358E252-S355 VanDerWaalsContact CD-N 3.31Å; E252-S355 WeakPolarHBondContact OE1-CA 3.34Å; E252-S355 WeakPolarHBondContact OE1-CB 3.42Å; E252-S355 PolarHBondContact OE1-N 2.82Å; E252-S355 PolarHBondContact OE1-OG 2.95Å; E252-S355 PolarHBondContact OE2-N 3.21Å; S355-L357 PolarHBondContact O-N 2.96Å; S355-K358 WeakPolarHBondContact O-CB 3.4Å; S355-K358 PolarHBondContact O-N 2.92Å; S355-K358 PolarHBondContact OG-NZ 2.94Å
356I89.3Confident80.7Confident17 Ų1751.1 Ų51.19%0.08725%0.245CC..G310 helixtrans-65.7-23.4178.8-156.9164.3000112.6P248 E252 W354 I562 Q563P248-I356 HydrophobicContact CB-CB 4.48Å; P248-I356 HydrophobicContact CB-CD1 3.87Å; P248-I356 HydrophobicContact CB-CG1 4.13Å; P248-I356 HydrophobicContact CB-CG2 3.58Å; E252-I356 VanDerWaalsContact OE2-CB 3.28Å; E252-I356 WeakPolarHBondContact OE2-CB 3.49Å; E252-I356 VanDerWaalsContact OE2-CG2 3.25Å; E252-I356 WeakPolarHBondContact OE2-CG2 3.47Å; E252-I356 PolarHBondContact OE2-N 3.22Å; W354-I356 VanDerWaalsContact C-N 3.27Å; W354-I356 PolarHBondContact O-N 3.37Å; I356-I562 HydrophobicContact CD1-CG2 4.17Å; I356-Q563 HydrophobicContact CD1-CG 3.85Å; I356-Q563 HydrophobicContact CG1-CG 3.42Å; I356-Q563 VanDerWaalsContact CG1-CG 3.42Å; I356-Q563 PolarHBondContact O-NE2 2.9Å; I356-Q563 VanDerWaalsContact O-NE2 3.15Å
357L90.8Very high78.2Confident3 Ų355 Ų552%0.01627%0.271CS..G310 helixtrans-97.8-3.5178.1-60.8-175.6000113.3P248 V249 Q350 R351 W354 S355 H359 A360P248-L357 HydrophobicContact CB-CD2 4.22Å; V249-L357 HydrophobicContact CG2-CD1 3.67Å; V249-L357 HydrophobicContact CG2-CG 4.27Å; Q350-L357 HydrophobicContact CB-CD1 3.83Å; R351-L357 HydrophobicContact CB-CB 4.18Å; R351-L357 WeakPolarHBondContact CB-O 3.3Å; W354-L357 HydrophobicContact CB-CB 4.26Å; W354-L357 HydrophobicContact CB-CD1 4.16Å; W354-L357 HydrophobicContact CB-CG 4.13Å; W354-L357 PolarHBondContact O-N 3.15Å; W354-L357 VanDerWaalsContact O-N 3.14Å; S355-L357 PolarHBondContact O-N 2.96Å; L357-H359 PolarHBondContact O-N 3.22Å; L357-A360 VanDerWaalsContact O-CB 3.27Å; L357-A360 WeakPolarHBondContact O-CB 3.28Å; L357-A360 PolarHBondContact O-N 3.13Å
358K86.2Confident75.5Confident86 Ų8657.2 Ų57.237%0.37429%0.288SS..THydrogen-bonded Turntrans-53.4-26.1-174.9-84.6172.2-179.8155.70114.4R351 W354 S355R351-K358 VanDerWaalsContact CZ-O 3.26Å; R351-K358 PolarHBondContact NE-O 2.88Å; R351-K358 PolarHBondContact NH2-O 3.16Å; W354-K358 PolarHBondContact O-N 2.79Å; S355-K358 WeakPolarHBondContact O-CB 3.4Å; S355-K358 PolarHBondContact O-N 2.92Å; S355-K358 PolarHBondContact OG-NZ 2.94Å
359H79.2Confident72.7Confident51 Ų5160.3 Ų60.324%0.23630%0.303CS..THydrogen-bonded Turntrans-85.5-8.4-179.4-61.4-73.1000114.6L357 P646 E653L357-H359 PolarHBondContact O-N 3.22Å; H359-P646 PolarHBondContact CE1-O 3.14Å; H359-E653 HydrophobicContact CB-CG 3.93Å
360A74.9Confident69.8Low2 Ų264 Ų642%0.01733%0.326CS..SBendtrans-58139.817900000111.6R347 R351 L357R347-A360 HydrophobicContact CB-CB 3.93Å; R351-A360 HydrophobicContact CB-CB 4.46Å; R351-A360 WeakPolarHBondContact CD-O 3.49Å; R351-A360 PolarHBondContact NE-O 2.78Å; R351-A360 PolarHBondContact NH1-O 3.35Å; L357-A360 VanDerWaalsContact O-CB 3.27Å; L357-A360 WeakPolarHBondContact O-CB 3.28Å; L357-A360 PolarHBondContact O-N 3.13Å
361V69.5Low67.1Low73 Ų7374 Ų7444%0.44236%0.363SS..PPolyproline II helixtrans-61.2128.6179.7-176.90000109.6Y363V361-Y363 PolarHBondContact O-N 3.35Å
362P64.1Low64.4Low54 Ų5477.4 Ų77.435%0.35138%0.38SS..PPolyproline II helixtrans-66.4128.7174.113.4-7.6000109.8R351 F364R351-P362 VanDerWaalsContact NH1-CG 3.29Å; P362-F364 HydrophobicContact CB-CD2 4.48Å; P362-F364 HydrophobicContact CB-CE2 3.98Å; P362-F364 HydrophobicContact CB-CZ 4.26Å; P362-F364 HydrophobicContact CG-CE2 3.84Å; P362-F364 HydrophobicContact CG-CZ 4.26Å; P362-F364 PolarHBondContact O-N 3.36Å
363Y55.3Low61.3Low53 Ų5376.8 Ų76.821%0.20839%0.388CS..  trans-79.2113.5172.8-174.5-112.8000109.7Q344 S348 V361 N365Q344-Y363 HydrophobicContact CG-CD2 4.06Å; S348-Y363 WeakPolarHBondContact OG-CB 3.5Å; S348-Y363 PolarHBondContact OG-N 2.77Å; V361-Y363 PolarHBondContact O-N 3.35Å; Y363-N365 HydrophobicContact CD1-CB 4.06Å; Y363-N365 HydrophobicContact CE1-CB 3.45Å; Y363-N365 VanDerWaalsContact CE1-CB 3.45Å; Y363-N365 PolarHBondContact OH-ND2 3.04Å
364F52.1Low58.3Low158 Ų15878.3 Ų78.369%0.69340%0.401SS*.  trans-100.480.4175.5-69.9-78.1000110.4P362 L369P362-F364 HydrophobicContact CB-CD2 4.48Å; P362-F364 HydrophobicContact CB-CE2 3.98Å; P362-F364 HydrophobicContact CB-CZ 4.26Å; P362-F364 HydrophobicContact CG-CE2 3.84Å; P362-F364 HydrophobicContact CG-CZ 4.26Å; P362-F364 PolarHBondContact O-N 3.36Å; F364-L369 HydrophobicContact CD1-CD1 4.2Å
365N46.4Very low55.3Low58 Ų5883.3 Ų83.331%0.3144%0.438SS..  trans-82.7119.2161.9-165.7-38.4000108.4Y363 S367 C368Y363-N365 HydrophobicContact CD1-CB 4.06Å; Y363-N365 HydrophobicContact CE1-CB 3.45Å; Y363-N365 VanDerWaalsContact CE1-CB 3.45Å; Y363-N365 PolarHBondContact OH-ND2 3.04Å; N365-S367 PolarHBondContact O-N 3.31Å; N365-S367 WeakPolarHBondContact OD1-CB 3.39Å; N365-S367 PolarHBondContact OD1-N 2.91Å; N365-S367 VanDerWaalsContact OD1-N 3.08Å; N365-S367 PolarHBondContact OD1-OG 3.04Å; N365-C368 WeakPolarHBondContact O-CB 3.48Å; N365-C368 PolarHBondContact O-N 2.87Å
366T37.3Very low52.7Low118 Ų11887.7 Ų87.772%0.72447%0.466SS*.Hα-helixtrans-57.8-16.1178.322.60000113.2
367S44.8Very low50.1Low81 Ų8190.8 Ų90.857%0.56649%0.494SS*.Hα-helixtrans-75.3-23.9170.470.20000114.2N365N365-S367 PolarHBondContact O-N 3.31Å; N365-S367 WeakPolarHBondContact OD1-CB 3.39Å; N365-S367 PolarHBondContact OD1-N 2.91Å; N365-S367 VanDerWaalsContact OD1-N 3.08Å; N365-S367 PolarHBondContact OD1-OG 3.04Å
368C39.2Very low47.2Very low60 Ų6098.2 Ų98.241%0.40553%0.534SS..Hα-helixtrans-84.5-33.3-176.5-153.80000112.4N365 V370 R371 F372N365-C368 WeakPolarHBondContact O-CB 3.48Å; N365-C368 PolarHBondContact O-N 2.87Å; C368-V370 VanDerWaalsContact C-N 3.33Å; C368-V370 PolarHBondContact O-N 3.36Å; C368-R371 PolarHBondContact O-N 3.44Å; C368-F372 PolarHBondContact O-N 3.24Å
369L35.1Very low44.9Very low83 Ų8399.6 Ų99.644%0.43556%0.555SS.*Hα-helixtrans-66.7-29.6177.3-87.9164000113.6F364 R371 F372 L373F364-L369 HydrophobicContact CD1-CD1 4.2Å; L369-R371 PolarHBondContact O-N 2.87Å; L369-F372 PolarHBondContact O-N 3.17Å; L369-L373 PolarHBondContact O-N 2.86Å
370V34.9Very low42.5Very low102 Ų102101.5 Ų101.562%0.61858%0.579SS**Hα-helixtrans-69.1-22.7179.2-176.90000111.8C368C368-V370 VanDerWaalsContact C-N 3.33Å; C368-V370 PolarHBondContact O-N 3.36Å
371R41.7Very low40.5Very low209 Ų209108.1 Ų108.179%0.78962%0.62SS**Hα-helixtrans-90.6-26.9175.3-79.6-179175.4176.7-0.5114C368 L369C368-R371 PolarHBondContact O-N 3.44Å; L369-R371 PolarHBondContact O-N 2.87Å
372F36.3Very low38.5Very low144 Ų144111.1 Ų111.163%0.63264%0.638SS**Hα-helixtrans-81.1-18.9-178-99.9-83.4000114.7C368 L369C368-F372 PolarHBondContact O-N 3.24Å; L369-F372 PolarHBondContact O-N 3.17Å
373L30.3Very low36.7Very low146 Ų146116.3 Ų116.376%0.76466%0.663SS**SBendtrans-96.3-1.8-179.3-72.5171.4000114.7L369L369-L373 PolarHBondContact O-N 2.86Å
374I31.7Very low35.6Very low122 Ų122120.1 Ų120.163%0.62669%0.691SS**  trans-123.783.2179-54.3176.1000108.5
375S32Very low34.5Very low116 Ų116117.8 Ų117.881%0.81170%0.695SS**  trans-92.5129.7147-169.50000107.2
376P35.7Very low34Very low105 Ų105121.8 Ų121.868%0.68272%0.716SS**  trans-125.9146.1130.815.72.9000110.9D378P376-D378 PolarHBondContact O-N 3.39Å
377A34.9Very low33.6Very low83 Ų83125.6 Ų125.669%0.68672%0.723SS**  trans-47.3132.2157.600000110.7
378D30Very low32.8Very low159 Ų159133.6 Ų133.685%0.8574%0.741SS**  -177.8147.5121.1-95.1-22.8000111.8P376P376-D378 PolarHBondContact O-N 3.39Å
379S38.4Very low32.8Very low115 Ų115138.6 Ų138.680%0.80476%0.762SS**  trans-58.6136.2174.4560000113.1
380A27.3Very low32.8Very low90 Ų90143.7 Ų143.774%0.74478%0.78SS**  trans-152.8117.3151.300000110.9
381T34.5Very low32.6Very low142 Ų142147.2 Ų147.287%0.87179%0.794SS**  trans-53.5135.5163.845.30000111.6
382T27.6Very low32.3Very low135 Ų135140.9 Ų140.983%0.82879%0.787SS**  trans-123.3116.3167.7380000111.5
383D25.7Very low32.1Very low163 Ų163143.5 Ų143.587%0.87280%0.798SS**  trans-72.5130.8172.4-162.41.1000109.5
384V31.4Very low32.2Very low133 Ų133140.9 Ų140.981%0.80680%0.798SS**  trans-91.1113.2-179.7177.20000108.2
385S28.8Very low32.2Very low110 Ų110143 Ų14377%0.76981%0.805SS**  trans-125.4119.4168.9176.10000112.4
386N35.6Very low32.5Very low141 Ų141143.7 Ų143.775%0.75480%0.795SS**  trans-41.7132.8166.3-71.1-41.3000114.6
387K29.7Very low32.4Very low199 Ų199146.9 Ų146.987%0.86580%0.801SS**  trans168.9114.2131.7-97.8167.7-179.8174.20110.7
388R27.4Very low32Very low249 Ų249151.6 Ų151.694%0.9481%0.806SS**  trans-17085.7132.4-104.2165.7-171.4-175.33110.5
389I40.3Very low32.2Very low165 Ų165146.4 Ų146.485%0.84679%0.785SS**  trans-92.8141148.7-65173.5000106
390K34Very low32.1Very low190 Ų190148.2 Ų148.283%0.82678%0.781SS**SBendtrans100.467-178.4-59.4-175.4178.6-177.30114.9
391L31.5Very low32.1Very low175 Ų175150 Ų15092%0.91678%0.783SS**SBendtrans-15730.1135.6-127.8112.4000112.6
392A34.8Very low32Very low76 Ų76147 Ų14763%0.62877%0.772SS**SBendtrans-119.540.2-176.800000112.2
393K32.4Very low32.4Very low199 Ų199148.4 Ų148.487%0.86577%0.769SS**SBendtrans-135.318.9178.2-90.5-163.4173.5-169.90114.4
394A31.6Very low32.8Very low92 Ų92148.1 Ų148.176%0.7677%0.768SS**SBendtrans-132.4-0.7177.200000113.9
395E33.4Very low32.9Very low166 Ų166150.7 Ų150.778%0.77677%0.771SS**SBendtrans-112-12.6176.3-71.3-177.4157.400113.2
396E38.2Very low33.3Very low130 Ų130156.3 Ų156.361%0.60778%0.775SS**Hα-helixtrans-72.3-29.1177.2-83.4175.2155.200113.6K398E396-K398 VanDerWaalsContact C-N 3.29Å; E396-K398 PolarHBondContact O-N 3.1Å
397E32.1Very low33.4Very low173 Ų173154.6 Ų154.681%0.80878%0.775SS**Hα-helixtrans-82.63.5-179.3-80.1-177.5161.300114.6
398K27.8Very low34.4Very low181 Ų181153.2 Ų153.279%0.78777%0.771SS**Hα-helixtrans-115.1-9.1175.1-86.6-172.8177-178.70114.8E396E396-K398 VanDerWaalsContact C-N 3.29Å; E396-K398 PolarHBondContact O-N 3.1Å
399A34Very low35.8Very low50 Ų50149.7 Ų149.741%0.41377%0.765SS.*Hα-helixtrans-87.1-29172.400000112.1T401 A402A399-T401 PolarHBondContact O-N 2.72Å; A399-T401 VanDerWaalsContact O-N 3.1Å; A399-A402 PolarHBondContact O-N 3.29Å
400E35.6Very low37.4Very low154 Ų154150 Ų15072%0.7276%0.763SS**THydrogen-bonded Turntrans-68.9-7.7-175.7-74.4-175.5158.300115.6
401T28.6Very low39.8Very low128 Ų128145.7 Ų145.779%0.78574%0.744SS**THydrogen-bonded Turntrans-110.87.2177.250.60000114.5A399A399-T401 PolarHBondContact O-N 2.72Å; A399-T401 VanDerWaalsContact O-N 3.1Å
402A31Very low42.5Very low77 Ų77143.5 Ų143.564%0.63674%0.738SS**THydrogen-bonded Turntrans-119-9.4-178.800000114.6A399A399-A402 PolarHBondContact O-N 3.29Å
403E36.9Very low45.3Very low166 Ų166141.4 Ų141.478%0.77671%0.714SS**SBendtrans-96.5-9-178.4-71.5-174164.400114.4
404D34.8Very low48.1Very low157 Ų157137.5 Ų137.584%0.8471%0.709SS**THydrogen-bonded Turntrans-90.46-176.5-117.4-5.5000114.7
405E32.4Very low51Low186 Ų186139.6 Ų139.687%0.86970%0.703SS**THydrogen-bonded Turntrans-136.334178.3-70.2-166.2167.300114.6
406R38.1Very low53.8Low228 Ų228133.2 Ų133.286%0.8668%0.676SS**  trans-94.595.1151.9-88-174.8176.6-167.8-0.3107.9Q408R406-Q408 VanDerWaalsContact C-N 3.25Å; R406-Q408 PolarHBondContact O-N 2.98Å
407S37.4Very low56.3Low106 Ų106130.5 Ų130.574%0.74168%0.675SS**  trans-54.497.3157.154.30000107.5E409S407-E409 VanDerWaalsContact C-N 3.27Å; S407-E409 PolarHBondContact O-N 2.82Å
408Q49.6Very low59Low169 Ų169130 Ų13079%0.7967%0.673SS**  trans-6299.4166-74.8-176.1-15.100105.1R406 E410R406-Q408 VanDerWaalsContact C-N 3.25Å; R406-Q408 PolarHBondContact O-N 2.98Å; Q408-E410 PolarHBondContact O-N 2.69Å; Q408-E410 VanDerWaalsContact O-N 3.08Å
409E57.5Low62.1Low176 Ų176122 Ų12282%0.82264%0.638SS**  trans-54.7119.3168.3-75.1-176.7163.200106.6S407 K411S407-E409 VanDerWaalsContact C-N 3.27Å; S407-E409 PolarHBondContact O-N 2.82Å; E409-K411 PolarHBondContact O-N 3.39Å
410E73.9Confident64.6Low170 Ų170124.3 Ų124.379%0.79464%0.643SS**  trans-56.9113.2179-171.2174.5-170.300107.7Q408 V412Q408-E410 PolarHBondContact O-N 2.69Å; Q408-E410 VanDerWaalsContact O-N 3.08Å; E410-V412 PolarHBondContact O-N 3.24Å
411K83.5Confident67.1Low100 Ų100123.6 Ų123.644%0.43563%0.634SS.*  trans-61.4124.6176.9-78.7-175.6178.5176.20107.3E409 W413E409-K411 PolarHBondContact O-N 3.39Å; K411-W413 HydrophobicContact CB-CE3 4.25Å; K411-W413 HydrophobicContact CB-CZ3 4.02Å; K411-W413 VanDerWaalsContact O-CE3 3.31Å; K411-W413 WeakPolarHBondContact O-CZ3 3.33Å
412V88.9Confident70Confident129 Ų129118.1 Ų118.178%0.78260%0.6SS**  trans-109.3134.1175.5-1780000108.7E410E410-V412 PolarHBondContact O-N 3.24Å
413W93.9Very high72.8Confident33 Ų33119.6 Ų119.613%0.12560%0.603CS.*  trans-133.3159.9172.256.391000110.2I268 T308 K411I268-W413 HydrophobicContact CB-CE3 4.49Å; I268-W413 HydrophobicContact CD1-CB 4.11Å; I268-W413 HydrophobicContact CD1-CE3 4.25Å; I268-W413 HydrophobicContact CD1-CG 4.49Å; I268-W413 HydrophobicContact CG1-CD2 4.38Å; I268-W413 HydrophobicContact CG1-CE3 3.92Å; I268-W413 HydrophobicContact CG1-CZ3 4.42Å; I268-W413 HydrophobicContact CG2-CB 4.48Å; I268-W413 HydrophobicContact CG2-CD2 3.6Å; I268-W413 HydrophobicContact CG2-CE3 3.93Å; I268-W413 HydrophobicContact CG2-CG 3.85Å; I268-W413 HydrophobicContact CG2-CZ2 4.4Å; I268-W413 HydrophobicContact CG2-CZ3 4.44Å; I268-W413 WeakPolarHBondContact O-CH2 3.5Å; T308-W413 HydrophobicContact CG2-CZ2 4.08Å; K411-W413 HydrophobicContact CB-CE3 4.25Å; K411-W413 HydrophobicContact CB-CZ3 4.02Å; K411-W413 VanDerWaalsContact O-CE3 3.31Å; K411-W413 WeakPolarHBondContact O-CZ3 3.33Å
414P91Very high75.3Confident116 Ų116113.1 Ų113.175%0.75358%0.575SS**PPolyproline II helixtrans-61.7139.9177.3-21.433.5000111.6
415E92.6Very high77.9Confident136 Ų136108.5 Ų108.564%0.63655%0.554SS**PPolyproline II helixtrans-59.1137.8168.4-77-65.6153.700110.2Q312 A417Q312-E415 PolarHBondContact NE2-OE1 2.91Å; Q312-E415 PolarHBondContact NE2-OE2 3.05Å; E415-A417 PolarHBondContact O-N 3.24Å
416P92.9Very high80.8Confident32 Ų3299.8 Ų99.821%0.20851%0.514CS..PPolyproline II helixtrans-57.1136.8175.2-24.633.6000112.2P279 Q312P279-P416 HydrophobicContact CB-CG 4.33Å; Q312-P416 HydrophobicContact CB-CG 4.18Å; Q312-P416 HydrophobicContact CG-CG 4.15Å
417A90.2Very high83.4Confident73 Ų7389.1 Ų89.160%0.60347%0.474SS*.PPolyproline II helixtrans-65.8147.4178.900000111.4E415 R419E415-A417 PolarHBondContact O-N 3.24Å; A417-R419 PolarHBondContact O-N 2.87Å
418E89.1Confident86Confident162 Ų16284.1 Ų84.176%0.75744%0.439SS*.PPolyproline II helixtrans-62.5125.2175.5-169.7179.5-173.900111L420E418-L420 VanDerWaalsContact CD-CD2 3.49Å; E418-L420 HydrophobicContact CG-CD2 3.9Å; E418-L420 HydrophobicContact CG-CG 4.18Å; E418-L420 PolarHBondContact O-N 3.25Å; E418-L420 WeakPolarHBondContact OE1-CD2 3.42Å
419R92.2Very high87.9Confident15 Ų1576 Ų766%0.05740%0.401CS..  trans-91.182.2-180-68.9167.358.4-177.61.3110.3Q316 Q319 T320 D324 P325 A417 R421Q316-R419 PolarHBondContact O-NH1 3Å; Q316-R419 VanDerWaalsContact OE1-CD 3.23Å; Q319-R419 PolarHBondContact NE2-O 3.27Å; T320-R419 PolarHBondContact OG1-NH1 3.36Å; T320-R419 VanDerWaalsContact OG1-NH1 3.13Å; T320-R419 PolarHBondContact OG1-NH2 2.78Å; D324-R419 PolarHBondContact O-NH2 3.31Å; P325-R419 VanDerWaalsContact O-CZ 3.3Å; P325-R419 PolarHBondContact O-NE 3.25Å; P325-R419 PolarHBondContact O-NH2 3.13Å; P325-R419 VanDerWaalsContact O-NH2 3.11Å; A417-R419 PolarHBondContact O-N 2.87Å; R419-R421 PolarHBondContact O-N 2.96Å
420L86.6Confident89.2Confident98 Ų9867.8 Ų67.851%0.51336%0.363SS..PPolyproline II helixtrans-72.3122.2-178.1-66.4174.7000112.1E418 N478E418-L420 VanDerWaalsContact CD-CD2 3.49Å; E418-L420 HydrophobicContact CG-CD2 3.9Å; E418-L420 HydrophobicContact CG-CG 4.18Å; E418-L420 PolarHBondContact O-N 3.25Å; E418-L420 WeakPolarHBondContact OE1-CD2 3.42Å; L420-N478 PolarHBondContact O-ND2 2.8Å
421R87.3Confident89.5Confident139 Ų13960.8 Ų60.853%0.52533%0.332SS..PPolyproline II helixtrans-73.3130.6171.8-174.1-177.8-71.8-156.9-9.3110L322 D324 R419L322-R421 PolarHBondContact O-NH2 2.72Å; D324-R421 IonicContact OD1-CZ 2.83Å; D324-R421 VanDerWaalsContact OD1-CZ 3.24Å; D324-R421 IonicContact OD1-NE 2.83Å; D324-R421 PolarHBondContact OD1-NE 3.31Å; D324-R421 IonicContact OD1-NH2 3.08Å; D324-R421 PolarHBondContact OD1-NH2 3.19Å; R419-R421 PolarHBondContact O-N 2.96Å
422P89.3Confident89Confident12 Ų1262.4 Ų62.48%0.07835%0.346CS..PPolyproline II helixtrans-63.6141175.225.4-33.7000110.6V424 N478 G481P422-V424 PolarHBondContact O-N 2.83Å; P422-V424 VanDerWaalsContact O-N 3.14Å; P422-N478 WeakPolarHBondContact CA-O 3.5Å; P422-N478 WeakPolarHBondContact CB-O 3.34Å; P422-G481 VanDerWaalsContact CG-CA 3.44Å
423P90.3Very high88.3Confident108 Ų10863.5 Ų63.570%0.70135%0.347SS*.SBendtrans-56.2-30177.5-26.233.8000113.7N478P423-N478 WeakPolarHBondContact CD-O 3.28Å
424V89.8Confident87.5Confident30 Ų3063.5 Ų63.518%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-119.8116.2172.8-177.10000109P422 V427 K441 E479 I480 G481P422-V424 PolarHBondContact O-N 2.83Å; P422-V424 VanDerWaalsContact O-N 3.14Å; V424-V427 HydrophobicContact CG1-CG2 3.51Å; V424-K441 HydrophobicContact CG1-CB 4.46Å; V424-K441 HydrophobicContact CG1-CD 3.88Å; V424-K441 HydrophobicContact CG1-CG 4.41Å; V424-K441 HydrophobicContact CG2-CD 4.32Å; V424-E479 PolarHBondContact N-O 2.85Å; V424-I480 HydrophobicContact CB-CG1 4.2Å; V424-I480 CarbonylContact O-C 3.51Å; V424-I480 VanDerWaalsContact O-CA 3.3Å; V424-I480 WeakPolarHBondContact O-CA 3.37Å; V424-G481 PolarHBondContact O-N 3.22Å
425C89Confident87Confident61 Ų6162.4 Ų62.441%0.41236%0.355SS..EExtended strand (participates in β ladder)trans-65.4-52.9-177.9-175.40000112.2G481 N482C425-G481 CarbonylContact O-C 3.51Å; C425-G481 VanDerWaalsContact O-CA 3.25Å; C425-G481 WeakPolarHBondContact O-CA 3.35Å; C425-G481 PolarHBondContact O-N 2.84Å; C425-N482 PolarHBondContact O-N 3.41Å; C425-N482 PolarHBondContact O-OD1 3.28Å
426S93.3Very high86.4Confident3 Ų358 Ų582%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-144.6141.1-171.3-540000112K441 N482 L630S426-K441 PolarHBondContact O-N 3.26Å; S426-N482 CarbonylContact C-O 3.56Å; S426-N482 VanDerWaalsContact CA-O 3.27Å; S426-N482 WeakPolarHBondContact CA-O 3.33Å; S426-N482 WeakPolarHBondContact CB-OD1 3.36Å; S426-N482 PolarHBondContact OG-OD1 3.39Å; S426-L630 PolarHBondContact OG-O 3.28Å
427V93.7Very high86Confident4 Ų457.8 Ų57.82%0.02434%0.337CS..EExtended strand (participates in β ladder)trans-130.7151.8-177.6168.20000111.6V424 K441 L443 L471 I480 N482 G483 V484V424-V427 HydrophobicContact CG1-CG2 3.51Å; V427-K441 CarbonylContact C-O 3.57Å; V427-K441 WeakPolarHBondContact CA-O 3.35Å; V427-K441 VanDerWaalsContact CG1-O 3.31Å; V427-K441 WeakPolarHBondContact CG1-O 3.23Å; V427-K441 HydrophobicContact CG2-CB 4.32Å; V427-L443 HydrophobicContact CG1-CB 3.57Å; V427-L443 HydrophobicContact CG1-CD1 4.19Å; V427-L443 HydrophobicContact CG1-CG 4.33Å; V427-L471 HydrophobicContact CB-CD1 4.04Å; V427-L471 HydrophobicContact CG1-CD1 4.09Å; V427-I480 HydrophobicContact CB-CD1 4.33Å; V427-I480 HydrophobicContact CB-CG2 4.15Å; V427-I480 HydrophobicContact CG1-CD1 4.49Å; V427-I480 HydrophobicContact CG2-CD1 3.76Å; V427-I480 HydrophobicContact CG2-CG1 4.05Å; V427-I480 HydrophobicContact CG2-CG2 3.86Å; V427-N482 PolarHBondContact N-O 3.2Å; V427-G483 CarbonylContact O-C 3.54Å; V427-G483 WeakPolarHBondContact O-CA 3.14Å; V427-V484 PolarHBondContact O-N 3.31Å
428S91.6Very high85.6Confident0 Ų061.8 Ų61.80%035%0.348CS..EExtended strand (participates in β ladder)trans-115.5135.8173.971.10000112.3C436 K441 L443 V484S428-C436 PolarHBondContact OG-SG 3.04Å; S428-K441 PolarHBondContact N-O 3.36Å; S428-L443 PolarHBondContact O-N 2.67Å; S428-V484 CarbonylContact C-O 3.57Å; S428-V484 WeakPolarHBondContact CA-O 3.48Å
429V88.9Confident85.3Confident0 Ų056.9 Ų56.90%034%0.342CS..EExtended strand (participates in β ladder)trans-106.5103.4164.9-179.30000107.3L443 T464 R467 L471 V484 A485 L486V429-L443 HydrophobicContact CG2-CB 4.23Å; V429-L443 HydrophobicContact CG2-CD2 4.06Å; V429-T464 HydrophobicContact CG1-CG2 4.22Å; V429-R467 HydrophobicContact CG1-CB 3.77Å; V429-R467 HydrophobicContact CG2-CB 4.31Å; V429-L471 HydrophobicContact CG2-CD2 3.99Å; V429-V484 PolarHBondContact N-O 2.93Å; V429-A485 HydrophobicContact CB-CB 3.86Å; V429-A485 HydrophobicContact CG1-CB 4.44Å; V429-A485 CarbonylContact O-C 3.54Å; V429-A485 VanDerWaalsContact O-CA 3.28Å; V429-A485 WeakPolarHBondContact O-CA 3.45Å; V429-L486 PolarHBondContact O-N 3.29Å
430L85.1Confident85Confident3 Ų356.8 Ų56.82%0.01634%0.342CS..  trans-128.2155.6-174.5-54.1172.8000109.6A434 C436 R442 R467 L486 M623L430-A434 HydrophobicContact CB-CB 4.11Å; L430-C436 HydrophobicContact CD1-CB 4.43Å; L430-R442 PolarHBondContact O-NH1 2.83Å; L430-R467 PolarHBondContact O-NH1 3.42Å; L430-L486 HydrophobicContact CD2-CB 4.13Å; L430-L486 HydrophobicContact CD2-CD1 3.73Å; L430-L486 HydrophobicContact CD2-CG 3.74Å; L430-M623 HydrophobicContact CD2-CE 3.58Å; L430-M623 HydrophobicContact CD2-SD 4.47Å
431P79.6Confident85Confident22 Ų2257.9 Ų57.914%0.14334%0.343CS..  trans-48.3147.7165-27.235.5000111.4D433 A434 R442 T617P431-D433 VanDerWaalsContact CB-OD1 3.28Å; P431-D433 WeakPolarHBondContact CB-OD1 3.34Å; P431-D433 PolarHBondContact O-N 3.29Å; P431-A434 HydrophobicContact CB-CB 4.34Å; P431-A434 WeakPolarHBondContact O-CB 3.04Å; P431-A434 PolarHBondContact O-N 3.08Å; P431-A434 VanDerWaalsContact O-N 3.13Å; P431-R442 PolarHBondContact O-NH1 2.75Å; P431-R442 PolarHBondContact O-NH2 2.7Å; P431-T617 HydrophobicContact CG-CG2 4.08Å
432D74.3Confident85.1Confident135 Ų13555.2 Ų55.272%0.72233%0.332SS*.THydrogen-bonded Turntrans-64.7-26.7-171.1-80.1-16.5000113.8R442 R467D432-R442 IonicContact OD1-NH1 3.99Å; D432-R467 IonicContact OD1-NH1 2.91Å
433D74Confident84.8Confident152 Ų15255.3 Ų55.381%0.81333%0.332SS*.THydrogen-bonded Turntrans-86-12.9177.464-25.7000114P431P431-D433 VanDerWaalsContact CB-OD1 3.28Å; P431-D433 WeakPolarHBondContact CB-OD1 3.34Å; P431-D433 PolarHBondContact O-N 3.29Å
434A77.1Confident84Confident33 Ų3354 Ų5427%0.27333%0.33SS..SBendtrans-75.3143.9-178.200000112.9L430 P431 R442L430-A434 HydrophobicContact CB-CB 4.11Å; P431-A434 HydrophobicContact CB-CB 4.34Å; P431-A434 WeakPolarHBondContact O-CB 3.04Å; P431-A434 PolarHBondContact O-N 3.08Å; P431-A434 VanDerWaalsContact O-N 3.13Å; A434-R442 PolarHBondContact O-NH2 2.95Å
435A79.2Confident82.6Confident93 Ų9357.1 Ų57.177%0.76935%0.354SS*.PPolyproline II helixtrans-71.1135.4171.300000110.8
436C81.6Confident80.8Confident43 Ų4356.5 Ų56.529%0.29135%0.35SS..PPolyproline II helixtrans-80.2127.9172.9-171.80000109.4S428 L430 L440S428-C436 PolarHBondContact OG-SG 3.04Å; L430-C436 HydrophobicContact CD1-CB 4.43Å; C436-L440 PolarHBondContact SG-O 3.26Å
437P83.9Confident78.5Confident28 Ų2866.1 Ų66.118%0.18239%0.392CS..PPolyproline II helixtrans-57.6145.9174.5-25.134.1000112.1G439 L440 M623 A627P437-G439 PolarHBondContact O-N 3.24Å; P437-L440 HydrophobicContact CB-CD1 4.08Å; P437-L440 HydrophobicContact CB-CG 4.42Å; P437-L440 HydrophobicContact CG-CD1 4.03Å; P437-L440 PolarHBondContact O-N 3.05Å; P437-M623 HydrophobicContact CG-CE 4.26Å; P437-A627 HydrophobicContact CB-CB 3.71Å; P437-A627 HydrophobicContact CG-CB 4.12Å
438D82.3Confident75.8Confident156 Ų15672.6 Ų72.683%0.83443%0.426SS*.THydrogen-bonded Turntrans-56.2136.2178.9-71.6-27.8000111.4L440 L631D438-L440 VanDerWaalsContact C-N 3.25Å; D438-L440 PolarHBondContact O-N 3.39Å; D438-L631 WeakPolarHBondContact O-CD1 3.5Å
439G81.4Confident73.5Confident60 Ų6075.5 Ų75.562%0.61944%0.441SS*.THydrogen-bonded Turntrans84.6-24-17900000114.9P437P437-G439 PolarHBondContact O-N 3.24Å
440L86.6Confident71Confident13 Ų1383.8 Ų83.87%0.06849%0.486CS..PPolyproline II helixtrans-77.7142.2171-65.2-175.5000110.6C436 P437 D438 V484 A627 L631C436-L440 PolarHBondContact SG-O 3.26Å; P437-L440 HydrophobicContact CB-CD1 4.08Å; P437-L440 HydrophobicContact CB-CG 4.42Å; P437-L440 HydrophobicContact CG-CD1 4.03Å; P437-L440 PolarHBondContact O-N 3.05Å; D438-L440 VanDerWaalsContact C-N 3.25Å; D438-L440 PolarHBondContact O-N 3.39Å; L440-V484 HydrophobicContact CD1-CG1 3.79Å; L440-A627 HydrophobicContact CD1-CB 3.51Å; L440-A627 HydrophobicContact CG-CB 3.98Å; L440-L631 HydrophobicContact CD2-CD1 4.49Å; L440-L631 HydrophobicContact CD2-CD2 4.15Å; L440-L631 HydrophobicContact CD2-CG 4.11Å
441K87.4Confident69Low120 Ų12092 Ų9252%0.52252%0.517SS..EExtended strand (participates in β ladder)trans-95131.9168.5-64.3-173.4-174.3173.10109.6V424 S426 V427 S428V424-K441 HydrophobicContact CG1-CB 4.46Å; V424-K441 HydrophobicContact CG1-CD 3.88Å; V424-K441 HydrophobicContact CG1-CG 4.41Å; V424-K441 HydrophobicContact CG2-CD 4.32Å; S426-K441 PolarHBondContact O-N 3.26Å; V427-K441 CarbonylContact C-O 3.57Å; V427-K441 WeakPolarHBondContact CA-O 3.35Å; V427-K441 VanDerWaalsContact CG1-O 3.31Å; V427-K441 WeakPolarHBondContact CG1-O 3.23Å; V427-K441 HydrophobicContact CG2-CB 4.32Å; S428-K441 PolarHBondContact N-O 3.36Å
442R88Confident67.2Low83 Ų8396.3 Ų96.331%0.31355%0.547SS..EExtended strand (participates in β ladder)trans-70.4129.7171.4179.1178.3-81.5-96.3-3.2109.9L430 P431 D432 A434 A444L430-R442 PolarHBondContact O-NH1 2.83Å; P431-R442 PolarHBondContact O-NH1 2.75Å; P431-R442 PolarHBondContact O-NH2 2.7Å; D432-R442 IonicContact OD1-NH1 3.99Å; A434-R442 PolarHBondContact O-NH2 2.95Å; R442-A444 PolarHBondContact O-N 3.38Å
443L84.3Confident65.7Low14 Ų1493.3 Ų93.37%0.07353%0.53CS..PPolyproline II helixtrans-72.4123174.1-16761.2000110V427 S428 V429 R467 T470 L471 I480V427-L443 HydrophobicContact CG1-CB 3.57Å; V427-L443 HydrophobicContact CG1-CD1 4.19Å; V427-L443 HydrophobicContact CG1-CG 4.33Å; S428-L443 PolarHBondContact O-N 2.67Å; V429-L443 HydrophobicContact CG2-CB 4.23Å; V429-L443 HydrophobicContact CG2-CD2 4.06Å; L443-R467 HydrophobicContact CD2-CB 4.36Å; L443-R467 WeakPolarHBondContact CD2-O 3.47Å; L443-R467 PolarHBondContact O-NE 3.23Å; L443-R467 VanDerWaalsContact O-NE 3.15Å; L443-R467 PolarHBondContact O-NH2 2.91Å; L443-T470 HydrophobicContact CD2-CG2 4.38Å; L443-L471 HydrophobicContact CD2-CB 3.86Å; L443-I480 HydrophobicContact CD1-CD1 4.23Å
444A72.5Confident64.2Low80 Ų8095.2 Ų95.266%0.66153%0.534SS*.PPolyproline II helixtrans-67.8148.9176.200000111.5R442 S446R442-A444 PolarHBondContact O-N 3.38Å; A444-S446 PolarHBondContact O-N 3.44Å
445S60.7Low62.6Low97 Ų97101.6 Ų101.668%0.67856%0.563SS**PPolyproline II helixtrans-66.2122.4173.960.50000110.6
446S51.5Low61Low48 Ų4898.4 Ų98.434%0.33654%0.536SS..PPolyproline II helixtrans-80.8142.3166.41750000109.7A444 D448A444-S446 PolarHBondContact O-N 3.44Å; S446-D448 VanDerWaalsContact C-N 3.32Å; S446-D448 PolarHBondContact OG-N 2.91Å
447K45.3Very low59.3Low204 Ų204100.6 Ų100.689%0.88757%0.567SS**SBendtrans-84.5-0.7176.7-73.5-173.3176.5-177.70113.7
448D37.2Very low58Low140 Ų140104.6 Ų104.675%0.74959%0.587SS**  trans-112.316.5-156.2-71.6-32.3000117.3S446S446-D448 VanDerWaalsContact C-N 3.32Å; S446-D448 PolarHBondContact OG-N 2.91Å
449L43.1Very low57Low62 Ų62100.9 Ų100.933%0.32558%0.578SS.*  trans-117.189.2172.9-95.294.3000112.7Y469L449-Y469 HydrophobicContact CD1-CD1 4.14Å; L449-Y469 HydrophobicContact CD1-CE1 4.43Å; L449-Y469 HydrophobicContact CD2-CD1 3.54Å; L449-Y469 HydrophobicContact CD2-CE1 3.95Å; L449-Y469 HydrophobicContact CD2-CG 4.03Å
450N36.4Very low56Low173 Ų173101.8 Ų101.893%0.92557%0.568SS**  trans-91.585.8155.9-86.6-15.9000108.3
451R42.9Very low54.9Low177 Ų177101.6 Ų101.667%0.66857%0.569SS**  trans-119.9141.2160.2-87.3-172.5173.5179.3-0.4109.2M453R451-M453 PolarHBondContact O-N 3.48Å
452S40.5Very low54Low112 Ų11298.5 Ų98.578%0.78356%0.56SS**  trans-63.993.4-169.6520000112.3
453M43.4Very low53.2Low72 Ų7297 Ų9736%0.35557%0.566SS.*  trans-97.187.3155.6-71.1-172.280.700107.4R451 D455 A456 F465R451-M453 PolarHBondContact O-N 3.48Å; M453-D455 PolarHBondContact O-N 3.49Å; M453-A456 HydrophobicContact CB-CB 4.39Å; M453-A456 HydrophobicContact CE-CB 3.95Å; M453-F465 HydrophobicContact CE-CB 4.45Å; M453-F465 HydrophobicContact CE-CD1 4.23Å; M453-F465 HydrophobicContact CE-CD2 3.68Å; M453-F465 HydrophobicContact CE-CE1 4.32Å; M453-F465 HydrophobicContact CE-CE2 3.94Å; M453-F465 HydrophobicContact CE-CG 3.9Å; M453-F465 HydrophobicContact CE-CZ 4.27Å; M453-F465 HydrophobicContact SD-CB 3.81Å; M453-F465 HydrophobicContact SD-CD2 3.9Å; M453-F465 HydrophobicContact SD-CG 3.91Å
454E43Very low52.9Low192 Ų19296.6 Ų96.690%0.89756%0.564SS**SBendtrans-76.7-5.7173.9-73.6-173.2157.900112.7
455D43.8Very low53Low167 Ų16793.6 Ų93.689%0.89354%0.536SS*.SBendtrans-112.92.5-174.3-113.1-11.1000115.5M453 G457M453-D455 PolarHBondContact O-N 3.49Å; D455-G457 PolarHBondContact O-N 2.87Å
456A45.5Very low53.9Low25 Ų2590 Ų9021%0.20751%0.511CS..  trans-92.297.1172.400000110M453 D458 V462 F465M453-A456 HydrophobicContact CB-CB 4.39Å; M453-A456 HydrophobicContact CE-CB 3.95Å; A456-D458 PolarHBondContact O-N 3.17Å; A456-V462 HydrophobicContact CB-CG2 3.87Å; A456-F465 HydrophobicContact CB-CE2 4.49Å
457G45.7Very low55.6Low90 Ų9088.4 Ų88.493%0.92850%0.497SS*.  trans-66.119.2-171.300000118.5D455D455-G457 PolarHBondContact O-N 2.87Å
458D56.9Low57.5Low112 Ų11278.8 Ų78.860%0.59946%0.456SS*.SBendtrans-156.8145.9171-164.93000112A456 D460 G461 V462A456-D458 PolarHBondContact O-N 3.17Å; D458-D460 VanDerWaalsContact C-N 3.26Å; D458-D460 PolarHBondContact O-N 2.68Å; D458-G461 PolarHBondContact O-N 3.36Å; D458-G461 VanDerWaalsContact O-N 3.13Å; D458-V462 PolarHBondContact O-N 3.2Å
459A60.5Low59.7Low78 Ų7874.3 Ų74.365%0.64543%0.429SS*.Hα-helixtrans-62.4-30-176.800000113.4A463A459-A463 PolarHBondContact O-N 2.83Å
460D60.7Low61.8Low78 Ų7872.5 Ų72.542%0.41742%0.42SS..Hα-helixtrans-70.4-34176.8-167.652000112.3D458 T464D458-D460 VanDerWaalsContact C-N 3.26Å; D458-D460 PolarHBondContact O-N 2.68Å; D460-T464 PolarHBondContact O-N 3.04Å; D460-T464 VanDerWaalsContact O-N 3.12Å; D460-T464 PolarHBondContact O-OG1 3.37Å
461G63.7Low64.3Low9 Ų964.2 Ų64.29%0.09338%0.376CS..Hα-helixtrans-61-54.7172.800000110.9D458 A463 T464 F465D458-G461 PolarHBondContact O-N 3.36Å; D458-G461 VanDerWaalsContact O-N 3.13Å; G461-A463 VanDerWaalsContact C-N 3.29Å; G461-A463 PolarHBondContact O-N 3.18Å; G461-T464 WeakPolarHBondContact O-CA 3.41Å; G461-T464 WeakPolarHBondContact O-CB 3.33Å; G461-T464 PolarHBondContact O-N 2.85Å; G461-F465 WeakPolarHBondContact O-CD2 3.25Å; G461-F465 PolarHBondContact O-N 3.3Å
462V68.1Low66.5Low56 Ų5656.5 Ų56.534%0.33935%0.348SS..Hα-helixtrans-56.1-42-179.5178.80000112.1A456 D458 T464 F465 S466A456-V462 HydrophobicContact CB-CG2 3.87Å; D458-V462 PolarHBondContact O-N 3.2Å; V462-T464 VanDerWaalsContact C-N 3.34Å; V462-T464 PolarHBondContact O-N 2.86Å; V462-F465 PolarHBondContact O-N 3.16Å; V462-S466 WeakPolarHBondContact O-CB 3.44Å; V462-S466 PolarHBondContact O-N 3.03Å; V462-S466 VanDerWaalsContact O-N 3.07Å
463A72.7Confident68.7Low51 Ų5153.2 Ų53.242%0.42132%0.32SS..Hα-helixtrans-64.1-37.9176.600000112.6A459 G461 R467A459-A463 PolarHBondContact O-N 2.83Å; G461-A463 VanDerWaalsContact C-N 3.29Å; G461-A463 PolarHBondContact O-N 3.18Å; A463-R467 WeakPolarHBondContact O-CG 3.42Å; A463-R467 PolarHBondContact O-N 2.74Å; A463-R467 VanDerWaalsContact O-N 3.14Å
464T76.3Confident70.9Confident5 Ų553.2 Ų53.23%0.03132%0.318CS..Hα-helixtrans-66.3-45.2177.7-61.40000111.7V429 D460 G461 V462 R467 L468 V487V429-T464 HydrophobicContact CG1-CG2 4.22Å; D460-T464 PolarHBondContact O-N 3.04Å; D460-T464 VanDerWaalsContact O-N 3.12Å; D460-T464 PolarHBondContact O-OG1 3.37Å; G461-T464 WeakPolarHBondContact O-CA 3.41Å; G461-T464 WeakPolarHBondContact O-CB 3.33Å; G461-T464 PolarHBondContact O-N 2.85Å; V462-T464 VanDerWaalsContact C-N 3.34Å; V462-T464 PolarHBondContact O-N 2.86Å; T464-R467 PolarHBondContact O-N 3.33Å; T464-L468 PolarHBondContact O-N 3.3Å; T464-V487 HydrophobicContact CG2-CG1 3.99Å
465F76.2Confident73.2Confident17 Ų1744.2 Ų44.28%0.07528%0.276CS..Hα-helixtrans-63.6-40.9176.3-68.5-78.7000112.4M453 A456 G461 V462 R467 L468 Y469 A492 A493 C496M453-F465 HydrophobicContact CE-CB 4.45Å; M453-F465 HydrophobicContact CE-CD1 4.23Å; M453-F465 HydrophobicContact CE-CD2 3.68Å; M453-F465 HydrophobicContact CE-CE1 4.32Å; M453-F465 HydrophobicContact CE-CE2 3.94Å; M453-F465 HydrophobicContact CE-CG 3.9Å; M453-F465 HydrophobicContact CE-CZ 4.27Å; M453-F465 HydrophobicContact SD-CB 3.81Å; M453-F465 HydrophobicContact SD-CD2 3.9Å; M453-F465 HydrophobicContact SD-CG 3.91Å; A456-F465 HydrophobicContact CB-CE2 4.49Å; G461-F465 WeakPolarHBondContact O-CD2 3.25Å; G461-F465 PolarHBondContact O-N 3.3Å; V462-F465 PolarHBondContact O-N 3.16Å; F465-R467 VanDerWaalsContact C-N 3.32Å; F465-R467 PolarHBondContact O-N 3.44Å; F465-L468 WeakPolarHBondContact O-CB 3.24Å; F465-L468 PolarHBondContact O-N 3.38Å; F465-L468 VanDerWaalsContact O-N 3.12Å; F465-Y469 PolarHBondContact O-N 3.32Å; F465-A492 HydrophobicContact CE1-CB 4.48Å; F465-A492 HydrophobicContact CZ-CB 4.03Å; F465-A493 VanDerWaalsContact CE1-CA 3.5Å; F465-A493 HydrophobicContact CE1-CB 4.14Å; F465-C496 HydrophobicContact CD1-CB 3.6Å; F465-C496 HydrophobicContact CE1-CB 3.85Å
466S79.4Confident75.2Confident23 Ų2341.9 Ų41.916%0.16126%0.255CS..Hα-helixtrans-60-40.8175.3-177.90000112.8V462 T470V462-S466 WeakPolarHBondContact O-CB 3.44Å; V462-S466 PolarHBondContact O-N 3.03Å; V462-S466 VanDerWaalsContact O-N 3.07Å; S466-T470 PolarHBondContact O-N 3.19Å; S466-T470 VanDerWaalsContact O-N 3.12Å; S466-T470 PolarHBondContact O-OG1 3.41Å
467R85.5Confident77.3Confident13 Ų1344.3 Ų44.35%0.04927%0.267CS..Hα-helixtrans-67.4-38.1174.2-71.6169.972-163.4-0.5111.6V429 L430 D432 L443 A463 T464 F465 T470 L471V429-R467 HydrophobicContact CG1-CB 3.77Å; V429-R467 HydrophobicContact CG2-CB 4.31Å; L430-R467 PolarHBondContact O-NH1 3.42Å; D432-R467 IonicContact OD1-NH1 2.91Å; L443-R467 HydrophobicContact CD2-CB 4.36Å; L443-R467 WeakPolarHBondContact CD2-O 3.47Å; L443-R467 PolarHBondContact O-NE 3.23Å; L443-R467 VanDerWaalsContact O-NE 3.15Å; L443-R467 PolarHBondContact O-NH2 2.91Å; A463-R467 WeakPolarHBondContact O-CG 3.42Å; A463-R467 PolarHBondContact O-N 2.74Å; A463-R467 VanDerWaalsContact O-N 3.14Å; T464-R467 PolarHBondContact O-N 3.33Å; F465-R467 VanDerWaalsContact C-N 3.32Å; F465-R467 PolarHBondContact O-N 3.44Å; R467-T470 PolarHBondContact O-N 2.99Å; R467-L471 PolarHBondContact O-N 2.95Å
468L86.3Confident79.5Confident3 Ų341.9 Ų41.92%0.01623%0.233CC..Hα-helixtrans-61.1-46.2176.2-169.862.1000111.7T464 F465 T470 L471 I472 A485 A493 V497 L612 L614T464-L468 PolarHBondContact O-N 3.3Å; F465-L468 WeakPolarHBondContact O-CB 3.24Å; F465-L468 PolarHBondContact O-N 3.38Å; F465-L468 VanDerWaalsContact O-N 3.12Å; L468-T470 VanDerWaalsContact C-N 3.35Å; L468-T470 PolarHBondContact O-N 2.91Å; L468-L471 WeakPolarHBondContact O-CB 3.03Å; L468-L471 PolarHBondContact O-N 3.4Å; L468-I472 HydrophobicContact CG-CD1 4.41Å; L468-I472 WeakPolarHBondContact O-CG1 3.39Å; L468-I472 PolarHBondContact O-N 2.98Å; L468-I472 VanDerWaalsContact O-N 3.09Å; L468-A485 HydrophobicContact CD1-CB 3.79Å; L468-A493 HydrophobicContact CD2-CB 4.42Å; L468-V497 HydrophobicContact CD2-CG2 3.6Å; L468-V497 HydrophobicContact CG-CG2 4.16Å; L468-L612 HydrophobicContact CD1-CD1 3.95Å; L468-L612 HydrophobicContact CD1-CD2 3.67Å; L468-L612 HydrophobicContact CD1-CG 4.35Å; L468-L612 HydrophobicContact CG-CD2 4.4Å; L468-L614 HydrophobicContact CD1-CD2 3.94Å; L468-L614 HydrophobicContact CD2-CD2 4.19Å
469Y83.3Confident81.2Confident46 Ų4640.9 Ų40.918%0.1823%0.225CC..Hα-helixtrans-58.2-47.3174.7-178.4-94.3000111.7L449 F465 L471 I472 E473 D500 L505L449-Y469 HydrophobicContact CD1-CD1 4.14Å; L449-Y469 HydrophobicContact CD1-CE1 4.43Å; L449-Y469 HydrophobicContact CD2-CD1 3.54Å; L449-Y469 HydrophobicContact CD2-CE1 3.95Å; L449-Y469 HydrophobicContact CD2-CG 4.03Å; F465-Y469 PolarHBondContact O-N 3.32Å; Y469-L471 VanDerWaalsContact C-N 3.27Å; Y469-L471 PolarHBondContact O-N 3.38Å; Y469-I472 PolarHBondContact O-N 3.27Å; Y469-E473 HydrophobicContact CD1-CG 4.27Å; Y469-E473 HydrophobicContact CE1-CG 3.77Å; Y469-E473 PolarHBondContact O-N 3.38Å; Y469-D500 HydrophobicContact CD2-CB 4.22Å; Y469-D500 VanDerWaalsContact CD2-OD2 3.29Å; Y469-D500 WeakPolarHBondContact CD2-OD2 3.15Å; Y469-D500 HydrophobicContact CE2-CB 4.15Å; Y469-L505 HydrophobicContact CE2-CD1 4.2Å; Y469-L505 HydrophobicContact CE2-CD2 4.4Å; Y469-L505 WeakPolarHBondContact OH-CD2 3.43Å
470T87Confident82.7Confident23 Ų2337.5 Ų37.514%0.14120%0.196CC..Hα-helixtrans-59.8-37.5177.6-56.70000112.1L443 S466 R467 L468 K474L443-T470 HydrophobicContact CD2-CG2 4.38Å; S466-T470 PolarHBondContact O-N 3.19Å; S466-T470 VanDerWaalsContact O-N 3.12Å; S466-T470 PolarHBondContact O-OG1 3.41Å; R467-T470 PolarHBondContact O-N 2.99Å; L468-T470 VanDerWaalsContact C-N 3.35Å; L468-T470 PolarHBondContact O-N 2.91Å; T470-K474 HydrophobicContact CG2-CD 4.46Å; T470-K474 WeakPolarHBondContact O-CG 3.47Å; T470-K474 PolarHBondContact O-N 3.3Å; T470-K474 VanDerWaalsContact O-N 3.14Å
471L89.6Confident84.3Confident0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-63.4-49.1176.5177.155.4000111.1V427 V429 L443 R467 L468 Y469 E473 K474 M475 I480 L612V427-L471 HydrophobicContact CB-CD1 4.04Å; V427-L471 HydrophobicContact CG1-CD1 4.09Å; V429-L471 HydrophobicContact CG2-CD2 3.99Å; L443-L471 HydrophobicContact CD2-CB 3.86Å; R467-L471 PolarHBondContact O-N 2.95Å; L468-L471 WeakPolarHBondContact O-CB 3.03Å; L468-L471 PolarHBondContact O-N 3.4Å; Y469-L471 VanDerWaalsContact C-N 3.27Å; Y469-L471 PolarHBondContact O-N 3.38Å; L471-E473 VanDerWaalsContact C-N 3.3Å; L471-E473 PolarHBondContact O-N 3.31Å; L471-K474 PolarHBondContact O-N 2.99Å; L471-M475 HydrophobicContact CD1-CG 4.23Å; L471-M475 HydrophobicContact CD1-SD 4.06Å; L471-M475 HydrophobicContact CG-SD 3.95Å; L471-M475 WeakPolarHBondContact O-CG 3.35Å; L471-M475 PolarHBondContact O-N 3.16Å; L471-I480 HydrophobicContact CD1-CB 4.4Å; L471-I480 HydrophobicContact CD1-CD1 3.77Å; L471-I480 HydrophobicContact CD1-CG2 3.78Å; L471-L612 HydrophobicContact CD2-CD1 3.67Å
472I88.1Confident85.8Confident15 Ų1533.9 Ų33.98%0.07718%0.175CC..Hα-helixtrans-60.3-43-179.8-67166.5000110.5L468 Y469 K474 M475 R476 V497 L580 L612L468-I472 HydrophobicContact CG-CD1 4.41Å; L468-I472 WeakPolarHBondContact O-CG1 3.39Å; L468-I472 PolarHBondContact O-N 2.98Å; L468-I472 VanDerWaalsContact O-N 3.09Å; Y469-I472 PolarHBondContact O-N 3.27Å; I472-K474 VanDerWaalsContact C-N 3.35Å; I472-K474 PolarHBondContact O-N 2.75Å; I472-M475 WeakPolarHBondContact O-CB 3.48Å; I472-M475 PolarHBondContact O-N 3.36Å; I472-M475 VanDerWaalsContact O-N 3.16Å; I472-R476 PolarHBondContact O-N 2.78Å; I472-V497 HydrophobicContact CD1-CB 4.32Å; I472-V497 HydrophobicContact CD1-CG1 3.81Å; I472-V497 HydrophobicContact CD1-CG2 3.67Å; I472-L580 HydrophobicContact CG2-CD2 4.32Å; I472-L612 HydrophobicContact CD1-CD2 3.85Å; I472-L612 HydrophobicContact CG1-CD2 3.77Å
473E86.8Confident87.1Confident42 Ų4231.2 Ų31.220%0.19616%0.159CC..Hα-helixtrans-61.3-42.3177.4-82.5-638600113.3Y469 L471 M475 R476 T477 L505Y469-E473 HydrophobicContact CD1-CG 4.27Å; Y469-E473 HydrophobicContact CE1-CG 3.77Å; Y469-E473 PolarHBondContact O-N 3.38Å; L471-E473 VanDerWaalsContact C-N 3.3Å; L471-E473 PolarHBondContact O-N 3.31Å; E473-M475 VanDerWaalsContact C-N 3.32Å; E473-M475 PolarHBondContact O-N 2.93Å; E473-R476 WeakPolarHBondContact O-CB 3.27Å; E473-R476 PolarHBondContact O-N 3.36Å; E473-R476 IonicContact OE1-CZ 3.38Å; E473-R476 VanDerWaalsContact OE1-CZ 3.31Å; E473-R476 IonicContact OE1-NE 2.68Å; E473-R476 PolarHBondContact OE1-NE 3.22Å; E473-R476 IonicContact OE1-NH2 3.42Å; E473-R476 PolarHBondContact OE1-NH2 3.11Å; E473-R476 IonicContact OE2-CZ 3.11Å; E473-R476 IonicContact OE2-NE 2.69Å; E473-R476 IonicContact OE2-NH2 3.12Å; E473-R476 PolarHBondContact OE2-NH2 3.34Å; E473-T477 PolarHBondContact O-N 3.37Å; E473-T477 VanDerWaalsContact O-N 3.1Å; E473-T477 PolarHBondContact O-OG1 3.03Å; E473-L505 HydrophobicContact CG-CD2 4.16Å; E473-L505 WeakPolarHBondContact OE1-CD2 3.47Å
474K90.8Very high88.1Confident73 Ų7328.8 Ų28.832%0.31714%0.139SC..Hα-helixtrans-71.4-27.2176.3-74.4-172.9174.7-155.30113.3T470 L471 I472 T477 N478 E479 I480T470-K474 HydrophobicContact CG2-CD 4.46Å; T470-K474 WeakPolarHBondContact O-CG 3.47Å; T470-K474 PolarHBondContact O-N 3.3Å; T470-K474 VanDerWaalsContact O-N 3.14Å; L471-K474 PolarHBondContact O-N 2.99Å; I472-K474 VanDerWaalsContact C-N 3.35Å; I472-K474 PolarHBondContact O-N 2.75Å; K474-T477 PolarHBondContact O-OG1 3.11Å; K474-N478 PolarHBondContact O-N 3.37Å; K474-E479 HydrophobicContact CB-CB 4.2Å; K474-E479 WeakPolarHBondContact O-CB 3.43Å; K474-E479 PolarHBondContact O-N 3.13Å; K474-I480 HydrophobicContact CB-CB 4.25Å; K474-I480 HydrophobicContact CB-CD1 3.61Å; K474-I480 HydrophobicContact CB-CG1 3.92Å; K474-I480 HydrophobicContact CD-CD1 3.66Å; K474-I480 HydrophobicContact CD-CG1 4.37Å; K474-I480 HydrophobicContact CG-CD1 4.3Å; K474-I480 PolarHBondContact O-N 3.12Å
475M91Very high88.9Confident2 Ų228.6 Ų28.61%0.0114%0.138CC..Hα-helixtrans-67.8-44.8170.9-71.6170.160.700110.4L471 I472 E473 T477 N478 I480 L580 H610 L612L471-M475 HydrophobicContact CD1-CG 4.23Å; L471-M475 HydrophobicContact CD1-SD 4.06Å; L471-M475 HydrophobicContact CG-SD 3.95Å; L471-M475 WeakPolarHBondContact O-CG 3.35Å; L471-M475 PolarHBondContact O-N 3.16Å; I472-M475 WeakPolarHBondContact O-CB 3.48Å; I472-M475 PolarHBondContact O-N 3.36Å; I472-M475 VanDerWaalsContact O-N 3.16Å; E473-M475 VanDerWaalsContact C-N 3.32Å; E473-M475 PolarHBondContact O-N 2.93Å; M475-T477 VanDerWaalsContact C-N 3.34Å; M475-T477 PolarHBondContact O-N 2.93Å; M475-N478 WeakPolarHBondContact O-CA 3.48Å; M475-N478 PolarHBondContact O-N 2.7Å; M475-I480 VanDerWaalsContact CA-O 3.31Å; M475-I480 WeakPolarHBondContact CA-O 3.44Å; M475-I480 HydrophobicContact CG-CB 4.16Å; M475-I480 HydrophobicContact CG-CG2 4.06Å; M475-L580 HydrophobicContact CE-CD1 3.59Å; M475-H610 VanDerWaalsContact CE-C 3.5Å; M475-H610 HydrophobicContact CE-CB 3.84Å; M475-H610 PolarHBondContact O-CE1 3.16Å; M475-H610 PolarHBondContact O-NE2 2.66Å; M475-L612 HydrophobicContact CE-CB 4.46Å
476R85.5Confident89.5Confident119 Ų11928.4 Ų28.445%0.44914%0.137SC..Hα-helixtrans-58-42.6176.5-177.9177.274134.41.4113.3I472 E473 N478 L505I472-R476 PolarHBondContact O-N 2.78Å; E473-R476 WeakPolarHBondContact O-CB 3.27Å; E473-R476 PolarHBondContact O-N 3.36Å; E473-R476 IonicContact OE1-CZ 3.38Å; E473-R476 VanDerWaalsContact OE1-CZ 3.31Å; E473-R476 IonicContact OE1-NE 2.68Å; E473-R476 PolarHBondContact OE1-NE 3.22Å; E473-R476 IonicContact OE1-NH2 3.42Å; E473-R476 PolarHBondContact OE1-NH2 3.11Å; E473-R476 IonicContact OE2-CZ 3.11Å; E473-R476 IonicContact OE2-NE 2.69Å; E473-R476 IonicContact OE2-NH2 3.12Å; E473-R476 PolarHBondContact OE2-NH2 3.34Å; R476-N478 PolarHBondContact O-N 3.43Å; R476-L505 WeakPolarHBondContact CD-O 3.32Å
477T89.3Confident89.9Confident75 Ų7527.3 Ų27.346%0.4613%0.13SC..THydrogen-bonded Turntrans-78.63.7176.259.80000113.4E473 K474 M475 E479E473-T477 PolarHBondContact O-N 3.37Å; E473-T477 VanDerWaalsContact O-N 3.1Å; E473-T477 PolarHBondContact O-OG1 3.03Å; K474-T477 PolarHBondContact O-OG1 3.11Å; M475-T477 VanDerWaalsContact C-N 3.34Å; M475-T477 PolarHBondContact O-N 2.93Å; T477-E479 PolarHBondContact O-N 3.22Å; T477-E479 WeakPolarHBondContact OG1-CG 3.32Å; T477-E479 PolarHBondContact OG1-OE1 3.09Å
478N91.2Very high89.9Confident40 Ų4029.3 Ų29.321%0.21414%0.144CC..THydrogen-bonded Turntrans57.824.2-176.1-157.747.7000114.1L420 P422 P423 K474 M475 R476 H610L420-N478 PolarHBondContact O-ND2 2.8Å; P422-N478 WeakPolarHBondContact CA-O 3.5Å; P422-N478 WeakPolarHBondContact CB-O 3.34Å; P423-N478 WeakPolarHBondContact CD-O 3.28Å; K474-N478 PolarHBondContact O-N 3.37Å; M475-N478 WeakPolarHBondContact O-CA 3.48Å; M475-N478 PolarHBondContact O-N 2.7Å; R476-N478 PolarHBondContact O-N 3.43Å; N478-H610 PolarHBondContact OD1-NE2 3.15Å; N478-H610 VanDerWaalsContact OD1-NE2 3.11Å
479E93.1Very high89.8Confident91 Ų9132.7 Ų32.743%0.42516%0.163SC..SBendtrans-74.7-33.3170.5-72173.4-121.100111.5V424 K474 T477V424-E479 PolarHBondContact N-O 2.85Å; K474-E479 HydrophobicContact CB-CB 4.2Å; K474-E479 WeakPolarHBondContact O-CB 3.43Å; K474-E479 PolarHBondContact O-N 3.13Å; T477-E479 PolarHBondContact O-N 3.22Å; T477-E479 WeakPolarHBondContact OG1-CG 3.32Å; T477-E479 PolarHBondContact OG1-OE1 3.09Å
480I93.3Very high90Very high7 Ų730.6 Ų30.64%0.03615%0.154CC..EExtended strand (participates in β ladder)trans-122.1137.8176.1-64.1171.6000109.1V424 V427 L443 L471 K474 M475 N482V424-I480 HydrophobicContact CB-CG1 4.2Å; V424-I480 CarbonylContact O-C 3.51Å; V424-I480 VanDerWaalsContact O-CA 3.3Å; V424-I480 WeakPolarHBondContact O-CA 3.37Å; V427-I480 HydrophobicContact CB-CD1 4.33Å; V427-I480 HydrophobicContact CB-CG2 4.15Å; V427-I480 HydrophobicContact CG1-CD1 4.49Å; V427-I480 HydrophobicContact CG2-CD1 3.76Å; V427-I480 HydrophobicContact CG2-CG1 4.05Å; V427-I480 HydrophobicContact CG2-CG2 3.86Å; L443-I480 HydrophobicContact CD1-CD1 4.23Å; L471-I480 HydrophobicContact CD1-CB 4.4Å; L471-I480 HydrophobicContact CD1-CD1 3.77Å; L471-I480 HydrophobicContact CD1-CG2 3.78Å; K474-I480 HydrophobicContact CB-CB 4.25Å; K474-I480 HydrophobicContact CB-CD1 3.61Å; K474-I480 HydrophobicContact CB-CG1 3.92Å; K474-I480 HydrophobicContact CD-CD1 3.66Å; K474-I480 HydrophobicContact CD-CG1 4.37Å; K474-I480 HydrophobicContact CG-CD1 4.3Å; K474-I480 PolarHBondContact O-N 3.12Å; M475-I480 VanDerWaalsContact CA-O 3.31Å; M475-I480 WeakPolarHBondContact CA-O 3.44Å; M475-I480 HydrophobicContact CG-CB 4.16Å; M475-I480 HydrophobicContact CG-CG2 4.06Å; I480-N482 WeakPolarHBondContact CG2-O 3.31Å
481G92.3Very high89.8Confident5 Ų530.7 Ų30.75%0.05216%0.158CC..EExtended strand (participates in β ladder)trans-77.3-55.5176.400000113P422 V424 C425 H610P422-G481 VanDerWaalsContact CG-CA 3.44Å; V424-G481 PolarHBondContact O-N 3.22Å; C425-G481 CarbonylContact O-C 3.51Å; C425-G481 VanDerWaalsContact O-CA 3.25Å; C425-G481 WeakPolarHBondContact O-CA 3.35Å; C425-G481 PolarHBondContact O-N 2.84Å; G481-H610 VanDerWaalsContact O-CA 3.3Å; G481-H610 WeakPolarHBondContact O-CA 3.43Å; G481-H610 PolarHBondContact O-CD2 3.03Å; G481-H610 VanDerWaalsContact O-CD2 3.27Å
482N95.5Very high89.4Confident6 Ų632.4 Ų32.43%0.03217%0.172CC..EExtended strand (participates in β ladder)trans-154.3177.4-176.751.564.2000111.3C425 S426 V427 I480 T611 L630C425-N482 PolarHBondContact O-N 3.41Å; C425-N482 PolarHBondContact O-OD1 3.28Å; S426-N482 CarbonylContact C-O 3.56Å; S426-N482 VanDerWaalsContact CA-O 3.27Å; S426-N482 WeakPolarHBondContact CA-O 3.33Å; S426-N482 WeakPolarHBondContact CB-OD1 3.36Å; S426-N482 PolarHBondContact OG-OD1 3.39Å; V427-N482 PolarHBondContact N-O 3.2Å; I480-N482 WeakPolarHBondContact CG2-O 3.31Å; N482-T611 WeakPolarHBondContact CA-O 3.33Å; N482-T611 WeakPolarHBondContact CB-O 3.15Å; N482-L630 HydrophobicContact CB-CD2 4.07Å; N482-L630 PolarHBondContact ND2-O 2.75Å; N482-L630 PolarHBondContact OD1-O 3.02Å
483G95.1Very high89.2Confident0 Ų031.7 Ų31.70%017%0.168CC..EExtended strand (participates in β ladder)trans-168.2175174.400000115.4V427 T611 L612 V613V427-G483 CarbonylContact O-C 3.54Å; V427-G483 WeakPolarHBondContact O-CA 3.14Å; G483-T611 PolarHBondContact N-O 2.97Å; G483-L612 WeakPolarHBondContact O-CA 3.44Å; G483-V613 PolarHBondContact O-N 2.68Å
484V94.9Very high89Confident0 Ų029.7 Ų29.70%016%0.159CC..EExtended strand (participates in β ladder)trans-128.4139.2176.256.90000109.5V427 S428 V429 L440 V613 M615 M623 T626 L630V427-V484 PolarHBondContact O-N 3.31Å; S428-V484 CarbonylContact C-O 3.57Å; S428-V484 WeakPolarHBondContact CA-O 3.48Å; V429-V484 PolarHBondContact N-O 2.93Å; L440-V484 HydrophobicContact CD1-CG1 3.79Å; V484-V613 CarbonylContact C-O 3.57Å; V484-V613 VanDerWaalsContact CA-O 3.29Å; V484-V613 WeakPolarHBondContact CA-O 3.46Å; V484-V613 HydrophobicContact CB-CB 4.23Å; V484-V613 HydrophobicContact CG2-CB 4.13Å; V484-V613 HydrophobicContact CG2-CG1 4.29Å; V484-M615 HydrophobicContact CG2-SD 4.44Å; V484-M623 HydrophobicContact CB-CE 4.46Å; V484-M623 HydrophobicContact CG1-CE 3.7Å; V484-M623 HydrophobicContact CG2-CE 3.87Å; V484-M623 HydrophobicContact CG2-SD 3.89Å; V484-T626 HydrophobicContact CB-CG2 4.1Å; V484-T626 HydrophobicContact CG2-CG2 3.84Å; V484-L630 HydrophobicContact CB-CD1 3.84Å; V484-L630 HydrophobicContact CG1-CD1 4.26Å
485A92.3Very high88.4Confident0 Ų030.2 Ų30.20%016%0.162CC..EExtended strand (participates in β ladder)trans-124.1129.817400000111.1V429 L468 V487 V613 L614 M615V429-A485 HydrophobicContact CB-CB 3.86Å; V429-A485 HydrophobicContact CG1-CB 4.44Å; V429-A485 CarbonylContact O-C 3.54Å; V429-A485 VanDerWaalsContact O-CA 3.28Å; V429-A485 WeakPolarHBondContact O-CA 3.45Å; L468-A485 HydrophobicContact CD1-CB 3.79Å; A485-V487 HydrophobicContact CB-CG1 4.17Å; A485-V613 PolarHBondContact N-O 2.71Å; A485-L614 HydrophobicContact CB-CD2 3.81Å; A485-M615 PolarHBondContact O-N 3.18Å
486L90.1Very high87.7Confident13 Ų1331.1 Ų31.17%0.06817%0.169CC..EExtended strand (participates in β ladder)trans-91.3117.1163.9-73-177.7000108.6V429 L430 M615 T617 M623V429-L486 PolarHBondContact O-N 3.29Å; L430-L486 HydrophobicContact CD2-CB 4.13Å; L430-L486 HydrophobicContact CD2-CD1 3.73Å; L430-L486 HydrophobicContact CD2-CG 3.74Å; L486-M615 CarbonylContact C-O 3.59Å; L486-M615 VanDerWaalsContact CA-O 3.32Å; L486-M615 WeakPolarHBondContact CA-O 3.47Å; L486-M615 HydrophobicContact CD2-CB 3.73Å; L486-T617 HydrophobicContact CB-CG2 4.23Å; L486-M623 HydrophobicContact CD1-CG 4.03Å; L486-M623 HydrophobicContact CD1-SD 3.99Å; L486-M623 HydrophobicContact CD2-CG 4.17Å; L486-M623 HydrophobicContact CD2-SD 3.57Å; L486-M623 VanDerWaalsContact CD2-SD 3.57Å; L486-M623 HydrophobicContact CG-CE 4.44Å; L486-M623 HydrophobicContact CG-CG 4.32Å; L486-M623 HydrophobicContact CG-SD 3.66Å
487V87.7Confident87.3Confident0 Ų025.8 Ų25.80%015%0.149CC..EExtended strand (participates in β ladder)trans-119.7149.1-175.3-63.40000111T464 A485 D489 V490 A493 M615 Q616 T617T464-V487 HydrophobicContact CG2-CG1 3.99Å; A485-V487 HydrophobicContact CB-CG1 4.17Å; V487-D489 VanDerWaalsContact C-N 3.32Å; V487-D489 PolarHBondContact O-N 3.14Å; V487-V490 HydrophobicContact CG2-CB 4.23Å; V487-V490 HydrophobicContact CG2-CG2 3.59Å; V487-A493 HydrophobicContact CB-CB 4.02Å; V487-A493 HydrophobicContact CG1-CB 3.91Å; V487-A493 HydrophobicContact CG2-CB 3.71Å; V487-M615 WeakPolarHBondContact CG2-O 3.43Å; V487-M615 PolarHBondContact N-O 3.36Å; V487-Q616 CarbonylContact O-C 3.51Å; V487-Q616 VanDerWaalsContact O-CA 3.27Å; V487-Q616 WeakPolarHBondContact O-CA 3.35Å; V487-Q616 WeakPolarHBondContact O-CG 3.49Å; V487-T617 PolarHBondContact O-N 3.07Å
488P84.6Confident86.5Confident55 Ų5523.4 Ų23.436%0.35713%0.134SC..SBendtrans-64.2-37178.4-23.134000113.1Q616P488-Q616 WeakPolarHBondContact O-CG 3.25Å; P488-Q616 PolarHBondContact O-NE2 3.19Å
489D85.4Confident85.4Confident75 Ų7527.5 Ų27.540%0.40115%0.152SC..  trans-137.2119.5177.2-176.4-27.1000108.6V487 A491 A492 A493V487-D489 VanDerWaalsContact C-N 3.32Å; V487-D489 PolarHBondContact O-N 3.14Å; D489-A491 WeakPolarHBondContact OD1-CB 3.46Å; D489-A491 PolarHBondContact OD1-N 3.04Å; D489-A492 HydrophobicContact CB-CB 3.99Å; D489-A492 PolarHBondContact OD1-N 3.32Å; D489-A492 VanDerWaalsContact OD1-N 3.15Å; D489-A493 WeakPolarHBondContact O-CB 3.45Å; D489-A493 PolarHBondContact O-N 2.86Å; D489-A493 VanDerWaalsContact O-N 3.13Å
490V86.8Confident84Confident1 Ų125.3 Ų25.31%0.00614%0.144CC..Hα-helixtrans-76.1-34.6-176.51750000111.8V487 A493 V494 V584 M586 L614 Q616V487-V490 HydrophobicContact CG2-CB 4.23Å; V487-V490 HydrophobicContact CG2-CG2 3.59Å; V490-A493 WeakPolarHBondContact O-CB 3.48Å; V490-A493 PolarHBondContact O-N 2.79Å; V490-V494 WeakPolarHBondContact O-CG2 3.35Å; V490-V494 PolarHBondContact O-N 3.07Å; V490-V584 HydrophobicContact CG1-CG1 3.11Å; V490-M586 HydrophobicContact CB-SD 4.38Å; V490-M586 HydrophobicContact CG1-SD 3.82Å; V490-L614 HydrophobicContact CG1-CB 4.33Å; V490-Q616 HydrophobicContact CG2-CB 3.66Å; V490-Q616 HydrophobicContact CG2-CG 4.34Å; V490-Q616 VanDerWaalsContact CG2-N 3.32Å
491A82.1Confident82.5Confident26 Ų2626 Ų2622%0.21515%0.148CC..Hα-helixtrans-65.3-46.2177.100000110.1D489 A493 V494 E495 L519 Y521D489-A491 WeakPolarHBondContact OD1-CB 3.46Å; D489-A491 PolarHBondContact OD1-N 3.04Å; A491-A493 VanDerWaalsContact C-N 3.31Å; A491-A493 PolarHBondContact O-N 2.85Å; A491-V494 PolarHBondContact O-N 3.17Å; A491-E495 PolarHBondContact O-N 3.04Å; A491-L519 HydrophobicContact CB-CD2 4.11Å; A491-Y521 PolarHBondContact O-OH 3.4Å
492A82.2Confident80.6Confident35 Ų3528.8 Ų28.829%0.28918%0.176SC..Hα-helixtrans-61.4-38174.300000112.4F465 D489 E495 C496F465-A492 HydrophobicContact CE1-CB 4.48Å; F465-A492 HydrophobicContact CZ-CB 4.03Å; D489-A492 HydrophobicContact CB-CB 3.99Å; D489-A492 PolarHBondContact OD1-N 3.32Å; D489-A492 VanDerWaalsContact OD1-N 3.15Å; A492-E495 PolarHBondContact O-N 3.39Å; A492-C496 WeakPolarHBondContact O-CB 3.45Å; A492-C496 PolarHBondContact O-N 3.36Å
493A84.3Confident78.6Confident0 Ų031.4 Ų31.40%019%0.194CC..Hα-helixtrans-61.2-46.2173.700000112.9F465 L468 V487 D489 V490 A491 E495 C496 V497 L614F465-A493 VanDerWaalsContact CE1-CA 3.5Å; F465-A493 HydrophobicContact CE1-CB 4.14Å; L468-A493 HydrophobicContact CD2-CB 4.42Å; V487-A493 HydrophobicContact CB-CB 4.02Å; V487-A493 HydrophobicContact CG1-CB 3.91Å; V487-A493 HydrophobicContact CG2-CB 3.71Å; D489-A493 WeakPolarHBondContact O-CB 3.45Å; D489-A493 PolarHBondContact O-N 2.86Å; D489-A493 VanDerWaalsContact O-N 3.13Å; V490-A493 WeakPolarHBondContact O-CB 3.48Å; V490-A493 PolarHBondContact O-N 2.79Å; A491-A493 VanDerWaalsContact C-N 3.31Å; A491-A493 PolarHBondContact O-N 2.85Å; A493-E495 VanDerWaalsContact C-N 3.34Å; A493-C496 PolarHBondContact O-N 2.92Å; A493-V497 VanDerWaalsContact O-CG2 3.32Å; A493-V497 WeakPolarHBondContact O-CG2 3.43Å; A493-V497 PolarHBondContact O-N 3.11Å; A493-V497 VanDerWaalsContact O-N 3.08Å; A493-L614 HydrophobicContact CB-CD1 3.96Å
494V82.3Confident76.8Confident0 Ų038 Ų380%023%0.23CC..Hα-helixtrans-63.4-44.4175.7178.80000110.2V490 A491 C496 V497 V498 L519 Y521 L582 V584 L614V490-V494 WeakPolarHBondContact O-CG2 3.35Å; V490-V494 PolarHBondContact O-N 3.07Å; A491-V494 PolarHBondContact O-N 3.17Å; V494-C496 VanDerWaalsContact C-N 3.34Å; V494-C496 PolarHBondContact O-N 3.18Å; V494-V497 PolarHBondContact O-N 3.07Å; V494-V497 VanDerWaalsContact O-N 3.17Å; V494-V498 HydrophobicContact CG1-CG2 3.93Å; V494-V498 WeakPolarHBondContact O-CB 3.4Å; V494-V498 VanDerWaalsContact O-CG2 3.24Å; V494-V498 WeakPolarHBondContact O-CG2 3.42Å; V494-V498 PolarHBondContact O-N 2.88Å; V494-L519 HydrophobicContact CB-CD1 4.05Å; V494-L519 HydrophobicContact CG1-CD1 3.79Å; V494-L519 HydrophobicContact CG2-CD1 3.85Å; V494-Y521 HydrophobicContact CB-CE2 4.1Å; V494-Y521 HydrophobicContact CG1-CD2 3.99Å; V494-Y521 HydrophobicContact CG1-CE2 3.67Å; V494-L582 HydrophobicContact CB-CD2 4.49Å; V494-L582 HydrophobicContact CG1-CD2 4.01Å; V494-L582 HydrophobicContact CG2-CD2 4.16Å; V494-V584 HydrophobicContact CG2-CG1 4.16Å; V494-V584 HydrophobicContact CG2-CG2 3.69Å; V494-L614 HydrophobicContact CG2-CD1 3.78Å
495E78.1Confident74.8Confident84 Ų8439 Ų3939%0.39324%0.235SC..Hα-helixtrans-58.5-44.8178.1-174.3166.2-17000112.4A491 A492 A493 V497 V498 Q499 Y521A491-E495 PolarHBondContact O-N 3.04Å; A492-E495 PolarHBondContact O-N 3.39Å; A493-E495 VanDerWaalsContact C-N 3.34Å; E495-V497 VanDerWaalsContact C-N 3.34Å; E495-V497 PolarHBondContact O-N 3.43Å; E495-V498 PolarHBondContact O-N 2.71Å; E495-Q499 HydrophobicContact CG-CG 4.11Å; E495-Q499 WeakPolarHBondContact O-CB 3.43Å; E495-Q499 VanDerWaalsContact O-CG 3.31Å; E495-Q499 WeakPolarHBondContact O-CG 3.19Å; E495-Q499 PolarHBondContact O-N 2.86Å; E495-Q499 PolarHBondContact OE1-NE2 3.23Å; E495-Y521 HydrophobicContact CB-CE1 3.97Å; E495-Y521 HydrophobicContact CG-CE1 4.13Å
496C76.1Confident73.3Confident22 Ų2240 Ų4015%0.14924%0.241CC..Hα-helixtrans-58.9-45.8175.9-175.40000111.6F465 A492 A493 V494 V498 D500F465-C496 HydrophobicContact CD1-CB 3.6Å; F465-C496 HydrophobicContact CE1-CB 3.85Å; A492-C496 WeakPolarHBondContact O-CB 3.45Å; A492-C496 PolarHBondContact O-N 3.36Å; A493-C496 PolarHBondContact O-N 2.92Å; V494-C496 VanDerWaalsContact C-N 3.34Å; V494-C496 PolarHBondContact O-N 3.18Å; C496-V498 VanDerWaalsContact C-N 3.34Å; C496-V498 PolarHBondContact O-N 2.79Å; C496-D500 PolarHBondContact O-N 3.39Å; C496-D500 VanDerWaalsContact O-N 3.14Å
497V76.8Confident72.5Confident6 Ų643.2 Ų43.24%0.03627%0.265CS..Hα-helixtrans-62.2-43.7177173.70000110.5L468 I472 A493 V494 E495 L501 L582L468-V497 HydrophobicContact CD2-CG2 3.6Å; L468-V497 HydrophobicContact CG-CG2 4.16Å; I472-V497 HydrophobicContact CD1-CB 4.32Å; I472-V497 HydrophobicContact CD1-CG1 3.81Å; I472-V497 HydrophobicContact CD1-CG2 3.67Å; A493-V497 VanDerWaalsContact O-CG2 3.32Å; A493-V497 WeakPolarHBondContact O-CG2 3.43Å; A493-V497 PolarHBondContact O-N 3.11Å; A493-V497 VanDerWaalsContact O-N 3.08Å; V494-V497 PolarHBondContact O-N 3.07Å; V494-V497 VanDerWaalsContact O-N 3.17Å; E495-V497 VanDerWaalsContact C-N 3.34Å; E495-V497 PolarHBondContact O-N 3.43Å; V497-L501 HydrophobicContact CG1-CD1 4.15Å; V497-L501 WeakPolarHBondContact O-CD1 3.37Å; V497-L501 WeakPolarHBondContact O-CG 3.43Å; V497-L501 PolarHBondContact O-N 3.34Å; V497-L582 HydrophobicContact CB-CD2 4.39Å; V497-L582 HydrophobicContact CG1-CD2 4.08Å
498V72.2Confident72.5Confident25 Ų2547.3 Ų47.315%0.15228%0.28CS..Hα-helixtrans-68.1-41.8-179173.80000112.7V494 E495 C496 L501 M528V494-V498 HydrophobicContact CG1-CG2 3.93Å; V494-V498 WeakPolarHBondContact O-CB 3.4Å; V494-V498 VanDerWaalsContact O-CG2 3.24Å; V494-V498 WeakPolarHBondContact O-CG2 3.42Å; V494-V498 PolarHBondContact O-N 2.88Å; E495-V498 PolarHBondContact O-N 2.71Å; C496-V498 VanDerWaalsContact C-N 3.34Å; C496-V498 PolarHBondContact O-N 2.79Å; V498-L501 WeakPolarHBondContact O-CB 3.48Å; V498-L501 PolarHBondContact O-N 3.31Å; V498-M528 HydrophobicContact CG1-CE 4.4Å; V498-M528 HydrophobicContact CG1-SD 4.03Å; V498-M528 HydrophobicContact CG2-SD 3.57Å; V498-M528 VanDerWaalsContact CG2-SD 3.57Å
499Q68Low72.8Confident126 Ų12644.8 Ų44.859%0.58926%0.264SS*.Hα-helixtrans-66-40.1178.3-72.5-178.93.200111.7E495 L501 G502E495-Q499 HydrophobicContact CG-CG 4.11Å; E495-Q499 WeakPolarHBondContact O-CB 3.43Å; E495-Q499 VanDerWaalsContact O-CG 3.31Å; E495-Q499 WeakPolarHBondContact O-CG 3.19Å; E495-Q499 PolarHBondContact O-N 2.86Å; E495-Q499 PolarHBondContact OE1-NE2 3.23Å; Q499-L501 VanDerWaalsContact C-N 3.32Å; Q499-L501 PolarHBondContact O-N 3.4Å; Q499-G502 PolarHBondContact O-N 3.18Å; Q499-G502 VanDerWaalsContact O-N 3.17Å
500D63.4Low73.2Confident46 Ų4641.2 Ų41.225%0.24625%0.245CC..Hα-helixtrans-69-30.2178.1-79.9-28000112.5Y469 C496 G502 S503 L505Y469-D500 HydrophobicContact CD2-CB 4.22Å; Y469-D500 VanDerWaalsContact CD2-OD2 3.29Å; Y469-D500 WeakPolarHBondContact CD2-OD2 3.15Å; Y469-D500 HydrophobicContact CE2-CB 4.15Å; C496-D500 PolarHBondContact O-N 3.39Å; C496-D500 VanDerWaalsContact O-N 3.14Å; D500-G502 PolarHBondContact O-N 3.13Å; D500-G502 VanDerWaalsContact O-N 3.13Å; D500-S503 PolarHBondContact O-N 2.95Å; D500-S503 VanDerWaalsContact O-N 3.13Å; D500-S503 PolarHBondContact O-OG 2.75Å; D500-L505 WeakPolarHBondContact O-CD1 3.29Å
501L61.8Low73.5Confident22 Ų2241.2 Ų41.212%0.11525%0.245CC..G310 helixtrans-61.4-17.8172.5-72.1166.8000113.8V497 V498 Q499 S503 V506 V509V497-L501 HydrophobicContact CG1-CD1 4.15Å; V497-L501 WeakPolarHBondContact O-CD1 3.37Å; V497-L501 WeakPolarHBondContact O-CG 3.43Å; V497-L501 PolarHBondContact O-N 3.34Å; V498-L501 WeakPolarHBondContact O-CB 3.48Å; V498-L501 PolarHBondContact O-N 3.31Å; Q499-L501 VanDerWaalsContact C-N 3.32Å; Q499-L501 PolarHBondContact O-N 3.4Å; L501-S503 PolarHBondContact O-N 3.47Å; L501-S503 VanDerWaalsContact O-N 3.16Å; L501-V506 HydrophobicContact CD2-CB 3.49Å; L501-V506 VanDerWaalsContact CD2-CB 3.49Å; L501-V506 HydrophobicContact CD2-CG2 3.69Å; L501-V509 HydrophobicContact CD1-CB 4.04Å; L501-V509 HydrophobicContact CD1-CG1 4.24Å; L501-V509 HydrophobicContact CD1-CG2 3.46Å; L501-V509 VanDerWaalsContact CD1-CG2 3.46Å; L501-V509 HydrophobicContact CD2-CG2 3.71Å; L501-V509 HydrophobicContact CG-CG2 4.25Å
502G53.5Low74.2Confident62 Ų6240 Ų4064%0.63923%0.234SC*.G310 helixtrans-64.4-10172.600000114.8Q499 D500Q499-G502 PolarHBondContact O-N 3.18Å; Q499-G502 VanDerWaalsContact O-N 3.17Å; D500-G502 PolarHBondContact O-N 3.13Å; D500-G502 VanDerWaalsContact O-N 3.13Å
503S52.6Low74.7Confident61 Ų6138.3 Ų38.343%0.42722%0.221SC..G310 helixtrans-111.436.2-174.162.70000115.9D500 L501 L505D500-S503 PolarHBondContact O-N 2.95Å; D500-S503 VanDerWaalsContact O-N 3.13Å; D500-S503 PolarHBondContact O-OG 2.75Å; L501-S503 PolarHBondContact O-N 3.47Å; L501-S503 VanDerWaalsContact O-N 3.16Å; S503-L505 PolarHBondContact O-N 3.18Å; S503-L505 WeakPolarHBondContact OG-CD1 3.47Å
504D56.8Low75.1Confident139 Ų13938.3 Ų38.374%0.74322%0.221SC*.SBendtrans69.219.9176.4-71.3-27.1000116.2
505L54.6Low75.3Confident20 Ų2038.3 Ų38.311%0.10522%0.221CC..SBendtrans-80-40.6-176.2-71.5130.8000114.2Y469 E473 R476 D500 S503Y469-L505 HydrophobicContact CE2-CD1 4.2Å; Y469-L505 HydrophobicContact CE2-CD2 4.4Å; Y469-L505 WeakPolarHBondContact OH-CD2 3.43Å; E473-L505 HydrophobicContact CG-CD2 4.16Å; E473-L505 WeakPolarHBondContact OE1-CD2 3.47Å; R476-L505 WeakPolarHBondContact CD-O 3.32Å; D500-L505 WeakPolarHBondContact O-CD1 3.29Å; S503-L505 PolarHBondContact O-N 3.18Å; S503-L505 WeakPolarHBondContact OG-CD1 3.47Å
506V59.6Low75.1Confident23 Ų2340.3 Ų40.314%0.13923%0.228CC..  trans-138.6138.7174.2-172.60000109.4L501 V509 L580L501-V506 HydrophobicContact CD2-CB 3.49Å; L501-V506 VanDerWaalsContact CD2-CB 3.49Å; L501-V506 HydrophobicContact CD2-CG2 3.69Å; V506-V509 HydrophobicContact CB-CG2 4.09Å; V506-V509 HydrophobicContact CG1-CG2 3.94Å; V506-L580 HydrophobicContact CG1-CB 4.04Å
507S74.1Confident74.8Confident80 Ų8044.5 Ų44.556%0.55925%0.246SC*.SBendtrans-75.7-35.8-173.454.90000114
508R88.2Confident74.3Confident85 Ų8546.9 Ų46.932%0.32126%0.256SS..  trans-148.2131.6-179-70.6-169.5-60.4-90.5-0.6111.3K527 Y576 D577 G579 L580R508-K527 CarbonylContact C-O 3.55Å; R508-K527 WeakPolarHBondContact CA-O 3.34Å; R508-Y576 HydrophobicContact CB-CE1 3.87Å; R508-Y576 HydrophobicContact CB-CE2 4.5Å; R508-Y576 WeakPolarHBondContact CD-O 3.42Å; R508-Y576 HydrophobicContact CG-CE2 4.4Å; R508-Y576 PolarHBondContact NE-O 3.27Å; R508-D577 VanDerWaalsContact CZ-O 3.3Å; R508-D577 PolarHBondContact NE-O 2.81Å; R508-D577 PolarHBondContact NH2-O 3.02Å; R508-D577 IonicContact NH2-OD2 3.8Å; R508-D577 PolarHBondContact NH2-OD2 3.41Å; R508-G579 PolarHBondContact O-N 2.77Å; R508-L580 PolarHBondContact O-N 2.72Å
509V90.6Very high74Confident2 Ų245.7 Ų45.71%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-126124-178.7-177.20000111.1L501 V506 V511 K527 M528 L529 Y576 L580 L582L501-V509 HydrophobicContact CD1-CB 4.04Å; L501-V509 HydrophobicContact CD1-CG1 4.24Å; L501-V509 HydrophobicContact CD1-CG2 3.46Å; L501-V509 VanDerWaalsContact CD1-CG2 3.46Å; L501-V509 HydrophobicContact CD2-CG2 3.71Å; L501-V509 HydrophobicContact CG-CG2 4.25Å; V506-V509 HydrophobicContact CB-CG2 4.09Å; V506-V509 HydrophobicContact CG1-CG2 3.94Å; V509-V511 HydrophobicContact CG1-CG2 4.05Å; V509-K527 PolarHBondContact N-O 3.46Å; V509-M528 WeakPolarHBondContact O-CA 3.47Å; V509-L529 PolarHBondContact O-N 3.45Å; V509-Y576 PolarHBondContact N-OH 2.79Å; V509-L580 WeakPolarHBondContact CA-O 3.19Å; V509-L580 HydrophobicContact CG1-CB 4.39Å; V509-L580 HydrophobicContact CG1-CD2 4.3Å; V509-L580 HydrophobicContact CG1-CG 4.45Å; V509-L580 HydrophobicContact CG2-CB 4.16Å; V509-L580 HydrophobicContact CG2-CD2 4.42Å; V509-L582 HydrophobicContact CG1-CB 4.32Å
510L93.8Very high73.7Confident0 Ų045.1 Ų45.10%025%0.25CS..EExtended strand (participates in β ladder)trans-91.7114.8172.3173.162.1000108.7V512 L529 V531 L569 Y576 P578 L580 V581 L582 F606L510-V512 HydrophobicContact CD1-CG2 4.21Å; L510-V512 HydrophobicContact CD2-CG2 4.24Å; L510-V512 HydrophobicContact CG-CG2 3.93Å; L510-L529 HydrophobicContact CD1-CB 4.24Å; L510-L529 HydrophobicContact CD1-CD2 3.94Å; L510-L529 HydrophobicContact CD1-CG 3.93Å; L510-V531 HydrophobicContact CD1-CG2 4.29Å; L510-L569 HydrophobicContact CD2-CD1 4.5Å; L510-Y576 HydrophobicContact CB-CD1 4.29Å; L510-Y576 HydrophobicContact CB-CE1 4.44Å; L510-P578 HydrophobicContact CB-CB 3.7Å; L510-P578 HydrophobicContact CB-CG 3.85Å; L510-P578 HydrophobicContact CD2-CG 4.29Å; L510-L580 PolarHBondContact N-O 2.8Å; L510-V581 HydrophobicContact CD2-CG2 4.47Å; L510-V581 CarbonylContact O-C 3.49Å; L510-V581 WeakPolarHBondContact O-CA 3.47Å; L510-L582 PolarHBondContact O-N 2.85Å; L510-F606 HydrophobicContact CD2-CD2 4.09Å; L510-F606 HydrophobicContact CD2-CE2 4.3Å
511V93.7Very high73.8Confident1 Ų144.8 Ų44.81%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-102.7116.6177.1-177.40000108.6V509 C513 L519 M528 L529 V530 V531 L582 V584V509-V511 HydrophobicContact CG1-CG2 4.05Å; V511-C513 VanDerWaalsContact CG1-SG 3.51Å; V511-L519 HydrophobicContact CG1-CD1 4.47Å; V511-M528 HydrophobicContact CG2-CG 3.82Å; V511-M528 HydrophobicContact CG2-SD 3.91Å; V511-L529 PolarHBondContact N-O 3.27Å; V511-V530 HydrophobicContact CB-CG2 4.21Å; V511-V530 HydrophobicContact CG1-CG1 4.47Å; V511-V530 CarbonylContact O-C 3.49Å; V511-V530 WeakPolarHBondContact O-CA 3.46Å; V511-V531 PolarHBondContact O-N 3.12Å; V511-L582 CarbonylContact C-O 3.59Å; V511-L582 WeakPolarHBondContact CA-O 3.3Å; V511-L582 HydrophobicContact CG1-CD2 4.43Å; V511-L582 HydrophobicContact CG2-CB 4.24Å; V511-L582 HydrophobicContact CG2-CD2 4.27Å; V511-V584 HydrophobicContact CG1-CG2 4.4Å
512V95.1Very high73.5Confident0 Ų047 Ų470%027%0.267CS..EExtended strand (participates in β ladder)trans-113.1114.1177.5-175.60000108.4L510 V531 L569 L582 L583 V584 L603L510-V512 HydrophobicContact CD1-CG2 4.21Å; L510-V512 HydrophobicContact CD2-CG2 4.24Å; L510-V512 HydrophobicContact CG-CG2 3.93Å; V512-V531 WeakPolarHBondContact CA-O 3.46Å; V512-L569 HydrophobicContact CG1-CD1 4.45Å; V512-L569 HydrophobicContact CG1-CD2 3.97Å; V512-L569 HydrophobicContact CG2-CD1 3.68Å; V512-L569 HydrophobicContact CG2-CD2 4.31Å; V512-L582 PolarHBondContact N-O 3.27Å; V512-L583 HydrophobicContact CB-CD1 3.78Å; V512-L583 HydrophobicContact CG1-CD1 3.85Å; V512-V584 PolarHBondContact O-N 2.87Å; V512-L603 HydrophobicContact CB-CD1 4.36Å; V512-L603 HydrophobicContact CG1-CD1 4.49Å; V512-L603 HydrophobicContact CG2-CD1 3.99Å
513C92.9Very high73.8Confident0 Ų045.8 Ų45.80%025%0.247CC..EExtended strand (participates in β ladder)trans-113.7128.9-175.7-64.10000110.7V511 L519 V531 I533 V584V511-C513 VanDerWaalsContact CG1-SG 3.51Å; C513-L519 HydrophobicContact CB-CD1 4.37Å; C513-L519 WeakPolarHBondContact SG-CD1 3.43Å; C513-V531 PolarHBondContact N-O 3.41Å; C513-I533 PolarHBondContact O-N 2.88Å; C513-V584 HydrophobicContact CB-CB 4.39Å
514V93.2Very high74.3Confident0 Ų048.1 Ų48.10%027%0.27CS..EExtended strand (participates in β ladder)trans-119.3111.6-177.8-174.40000109.6C555 F561 V584 M586 S589 V591 W596 L599V514-C555 HydrophobicContact CG1-CB 3.9Å; V514-F561 HydrophobicContact CG1-CE2 3.73Å; V514-F561 HydrophobicContact CG1-CZ 4.14Å; V514-F561 HydrophobicContact CG2-CE2 4.27Å; V514-F561 HydrophobicContact CG2-CZ 3.92Å; V514-V584 PolarHBondContact N-O 3.36Å; V514-M586 WeakPolarHBondContact O-CB 3.43Å; V514-M586 PolarHBondContact O-N 2.84Å; V514-S589 VanDerWaalsContact O-CB 3.22Å; V514-S589 WeakPolarHBondContact O-CB 3.49Å; V514-V591 HydrophobicContact CG1-CB 4.07Å; V514-V591 HydrophobicContact CG1-CG1 4.03Å; V514-W596 HydrophobicContact CB-CZ3 4.23Å; V514-W596 HydrophobicContact CG2-CZ3 3.93Å; V514-L599 HydrophobicContact CG2-CD2 4.21Å
515G87.4Confident75.1Confident1 Ų146.1 Ų46.11%0.0126%0.259CS..SBendtrans133.5-170.4176.300000114Q532 I533 S534G515-Q532 PolarHBondContact O-NE2 2.89Å; G515-I533 PolarHBondContact N-O 3.11Å; G515-S534 WeakPolarHBondContact O-CB 3.47Å
516K73.9Confident76.4Confident126 Ų12645.6 Ų45.655%0.54826%0.259SS..SBendtrans-81.3-34.2-163.6-67.3-172.7168.7-148.70115.6E518 E536K516-E518 PolarHBondContact O-N 2.93Å; K516-E536 WeakPolarHBondContact CD-OE1 3.46Å; K516-E536 IonicContact NZ-OE1 3.21Å; K516-E536 PolarHBondContact NZ-OE1 2.79Å
517E69Low77.6Confident109 Ų10948.2 Ų48.251%0.50927%0.269SS..SBendtrans-72.3131.1-176.6-82.9177.4-171.800110.5Q532 M586E517-Q532 PolarHBondContact O-NE2 3.49Å; E517-M586 HydrophobicContact CB-CE 3.38Å; E517-M586 HydrophobicContact CG-CE 4.33Å; E517-M586 WeakPolarHBondContact OE2-CE 3.34Å
518E65.1Low78.3Confident56 Ų5644.8 Ų44.826%0.26224%0.244SC..  trans-89.7128.1-175.7-175.8175.217800110K516 N520 K538 K542 Y546K516-E518 PolarHBondContact O-N 2.93Å; E518-N520 PolarHBondContact O-N 3.37Å; E518-K538 WeakPolarHBondContact OE2-CD 3.47Å; E518-K538 IonicContact OE2-NZ 2.75Å; E518-K538 PolarHBondContact OE2-NZ 3.26Å; E518-K542 IonicContact OE1-NZ 2.83Å; E518-K542 PolarHBondContact OE1-NZ 3.04Å; E518-Y546 WeakPolarHBondContact CG-OH 3.47Å; E518-Y546 PolarHBondContact OE1-OH 2.79Å
519L66.9Low78.5Confident1 Ų140.7 Ų40.71%0.00523%0.229CC..  trans-85.4106.8170-65.4-163.7000108.9A491 V494 V511 C513 Y521A491-L519 HydrophobicContact CB-CD2 4.11Å; V494-L519 HydrophobicContact CB-CD1 4.05Å; V494-L519 HydrophobicContact CG1-CD1 3.79Å; V494-L519 HydrophobicContact CG2-CD1 3.85Å; V511-L519 HydrophobicContact CG1-CD1 4.47Å; C513-L519 HydrophobicContact CB-CD1 4.37Å; C513-L519 WeakPolarHBondContact SG-CD1 3.43Å; L519-Y521 HydrophobicContact CB-CD2 3.54Å; L519-Y521 HydrophobicContact CB-CE2 3.5Å; L519-Y521 HydrophobicContact CD1-CD2 4.23Å; L519-Y521 HydrophobicContact CD1-CE2 3.91Å; L519-Y521 HydrophobicContact CD2-CE2 3.83Å; L519-Y521 HydrophobicContact CG-CD2 4.36Å; L519-Y521 HydrophobicContact CG-CE2 3.93Å; L519-Y521 PolarHBondContact O-N 3.48Å
520N62.4Low78.5Confident114 Ų11440.7 Ų40.761%0.6123%0.229SC*.  trans-78.961.7178.4-83.9-33000111.5E518 K542E518-N520 PolarHBondContact O-N 3.37Å; N520-K542 PolarHBondContact OD1-NZ 3.45Å
521Y64.4Low78.5Confident39 Ų3940.8 Ų40.815%0.15323%0.229CC..  trans-122.9108177-42.9-63.5000109.5A491 V494 E495 L519 M528A491-Y521 PolarHBondContact O-OH 3.4Å; V494-Y521 HydrophobicContact CB-CE2 4.1Å; V494-Y521 HydrophobicContact CG1-CD2 3.99Å; V494-Y521 HydrophobicContact CG1-CE2 3.67Å; E495-Y521 HydrophobicContact CB-CE1 3.97Å; E495-Y521 HydrophobicContact CG-CE1 4.13Å; L519-Y521 HydrophobicContact CB-CD2 3.54Å; L519-Y521 HydrophobicContact CB-CE2 3.5Å; L519-Y521 HydrophobicContact CD1-CD2 4.23Å; L519-Y521 HydrophobicContact CD1-CE2 3.91Å; L519-Y521 HydrophobicContact CD2-CE2 3.83Å; L519-Y521 HydrophobicContact CG-CD2 4.36Å; L519-Y521 HydrophobicContact CG-CE2 3.93Å; L519-Y521 PolarHBondContact O-N 3.48Å; Y521-M528 VanDerWaalsContact CB-CE 3.41Å
522A55.3Low78.4Confident67 Ų6741 Ų4155%0.55423%0.23SC*.  trans-117114.1167.600000107.2K542A522-K542 HydrophobicContact CB-CB 4.44Å
523T60.3Low78.2Confident38 Ų3841 Ų4123%0.23323%0.23CC..  trans-97.8116167.274.30000108.2D525 M528T523-D525 WeakPolarHBondContact CB-OD1 3.35Å; T523-D525 PolarHBondContact O-N 3.1Å; T523-D525 VanDerWaalsContact O-N 3.15Å; T523-D525 PolarHBondContact OG1-OD1 3.38Å; T523-M528 HydrophobicContact CG2-CB 4.33Å; T523-M528 HydrophobicContact CG2-CE 3.8Å
524A62.5Low78Confident110 Ų11041.6 Ų41.691%0.90923%0.234SC*.THydrogen-bonded Turntrans-68.4-6.6177.600000112.7
525D74.7Confident77.4Confident96 Ų9643 Ų4351%0.51325%0.248SC..THydrogen-bonded Turntrans-88.7-6.5-174.368.7-1.9000114.5T523 K527T523-D525 WeakPolarHBondContact CB-OD1 3.35Å; T523-D525 PolarHBondContact O-N 3.1Å; T523-D525 VanDerWaalsContact O-N 3.15Å; T523-D525 PolarHBondContact OG1-OD1 3.38Å; D525-K527 PolarHBondContact O-N 3.28Å; D525-K527 WeakPolarHBondContact OD1-CB 3.49Å; D525-K527 PolarHBondContact OD1-N 3.06Å; D525-K527 WeakPolarHBondContact OD2-CD 3.32Å; D525-K527 WeakPolarHBondContact OD2-CG 3.4Å
526G81.9Confident76.7Confident10 Ų1046.7 Ų46.710%0.10327%0.266CS..SBendtrans74.44.2-179.700000115.4M528 Y545 Y576G526-M528 PolarHBondContact O-N 3.38Å; G526-Y545 VanDerWaalsContact CA-CE2 3.49Å; G526-Y576 WeakPolarHBondContact O-CE2 3.34Å; G526-Y576 PolarHBondContact O-OH 3.33Å
527K85.3Confident76.2Confident78 Ų7846.7 Ų46.734%0.33927%0.272SS..SBendtrans-73.4-12.7176.5-67.8-171.1-179.3-177.10113.7R508 V509 D525 Y576R508-K527 CarbonylContact C-O 3.55Å; R508-K527 WeakPolarHBondContact CA-O 3.34Å; V509-K527 PolarHBondContact N-O 3.46Å; D525-K527 PolarHBondContact O-N 3.28Å; D525-K527 WeakPolarHBondContact OD1-CB 3.49Å; D525-K527 PolarHBondContact OD1-N 3.06Å; D525-K527 WeakPolarHBondContact OD2-CD 3.32Å; D525-K527 WeakPolarHBondContact OD2-CG 3.4Å; K527-Y576 PolarHBondContact O-OH 3.47Å
528M88.2Confident75.9Confident7 Ų746 Ų463%0.03427%0.267CS..EExtended strand (participates in β ladder)trans-134.9130.4178.3-174.3175.770.400110.6V498 V509 V511 Y521 T523 G526 V530 Y545 Y576V498-M528 HydrophobicContact CG1-CE 4.4Å; V498-M528 HydrophobicContact CG1-SD 4.03Å; V498-M528 HydrophobicContact CG2-SD 3.57Å; V498-M528 VanDerWaalsContact CG2-SD 3.57Å; V509-M528 WeakPolarHBondContact O-CA 3.47Å; V511-M528 HydrophobicContact CG2-CG 3.82Å; V511-M528 HydrophobicContact CG2-SD 3.91Å; Y521-M528 VanDerWaalsContact CB-CE 3.41Å; T523-M528 HydrophobicContact CG2-CB 4.33Å; T523-M528 HydrophobicContact CG2-CE 3.8Å; G526-M528 PolarHBondContact O-N 3.38Å; M528-V530 HydrophobicContact CE-CG2 3.65Å; M528-V530 HydrophobicContact CG-CG2 3.93Å; M528-V530 HydrophobicContact SD-CG2 4.05Å; M528-Y545 WeakPolarHBondContact O-CB 3.48Å; M528-Y576 WeakPolarHBondContact CA-OH 3.19Å; M528-Y576 PolarHBondContact N-OH 2.89Å; M528-Y576 VanDerWaalsContact N-OH 3.14Å
529L91.3Very high75.4Confident0 Ų052.1 Ų52.10%030%0.295CS..EExtended strand (participates in β ladder)trans-111.3120.6169.1173.759.7000108.3V509 L510 V511 Y545 I547 L572 Y576 W663V509-L529 PolarHBondContact O-N 3.45Å; L510-L529 HydrophobicContact CD1-CB 4.24Å; L510-L529 HydrophobicContact CD1-CD2 3.94Å; L510-L529 HydrophobicContact CD1-CG 3.93Å; V511-L529 PolarHBondContact N-O 3.27Å; L529-Y545 HydrophobicContact CD1-CD1 4.47Å; L529-I547 HydrophobicContact CD1-CD1 3.91Å; L529-I547 HydrophobicContact CD1-CG1 4.47Å; L529-L572 HydrophobicContact CD2-CB 4.3Å; L529-Y576 HydrophobicContact CB-CD1 3.82Å; L529-Y576 HydrophobicContact CB-CD2 3.98Å; L529-Y576 HydrophobicContact CB-CE1 3.69Å; L529-Y576 HydrophobicContact CB-CE2 3.84Å; L529-Y576 HydrophobicContact CB-CG 3.97Å; L529-Y576 HydrophobicContact CD2-CD1 4Å; L529-Y576 HydrophobicContact CD2-CD2 4.06Å; L529-Y576 HydrophobicContact CD2-CG 3.64Å; L529-Y576 HydrophobicContact CG-CG 4.46Å; L529-Y576 PolarHBondContact N-OH 3.42Å; L529-W663 HydrophobicContact CD1-CH2 4.27Å; L529-W663 HydrophobicContact CD1-CZ2 3.88Å; L529-W663 HydrophobicContact CD2-CH2 3.96Å; L529-W663 HydrophobicContact CD2-CZ2 4.3Å; L529-W663 HydrophobicContact CD2-CZ3 4.45Å
530V91.4Very high75.1Confident2 Ų259.6 Ų59.61%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-108.2123.5179.5-174.10000109.7V511 M528 Y545 Y546 I547V511-V530 HydrophobicContact CB-CG2 4.21Å; V511-V530 HydrophobicContact CG1-CG1 4.47Å; V511-V530 CarbonylContact O-C 3.49Å; V511-V530 WeakPolarHBondContact O-CA 3.46Å; M528-V530 HydrophobicContact CE-CG2 3.65Å; M528-V530 HydrophobicContact CG-CG2 3.93Å; M528-V530 HydrophobicContact SD-CG2 4.05Å; V530-Y545 PolarHBondContact N-O 2.68Å; V530-Y546 HydrophobicContact CB-CD2 3.84Å; V530-Y546 HydrophobicContact CB-CE2 4.41Å; V530-Y546 HydrophobicContact CG1-CD2 3.91Å; V530-Y546 HydrophobicContact CG1-CE2 3.96Å; V530-I547 PolarHBondContact O-N 3.11Å
531V93.1Very high75.2Confident1 Ų156.7 Ų56.71%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-113.5107.4169.7-175.60000108.1L510 V511 V512 C513 I533 I547 V549 L569 L572L510-V531 HydrophobicContact CD1-CG2 4.29Å; V511-V531 PolarHBondContact O-N 3.12Å; V512-V531 WeakPolarHBondContact CA-O 3.46Å; C513-V531 PolarHBondContact N-O 3.41Å; V531-I533 HydrophobicContact CG1-CG1 4.24Å; V531-I547 WeakPolarHBondContact CA-O 3.32Å; V531-I547 HydrophobicContact CG2-CB 4.42Å; V531-V549 HydrophobicContact CG1-CG2 4.07Å; V531-L569 HydrophobicContact CB-CD1 4.03Å; V531-L569 HydrophobicContact CG1-CD1 4.16Å; V531-L569 HydrophobicContact CG2-CD1 3.85Å; V531-L572 HydrophobicContact CG2-CD1 4.43Å
532Q91.4Very high75.3Confident5 Ų558.4 Ų58.42%0.02332%0.321CS..EExtended strand (participates in β ladder)trans-99.1114.6178.8179.377.83300109.1G515 E517 I547 P548 V549G515-Q532 PolarHBondContact O-NE2 2.89Å; E517-Q532 PolarHBondContact O-NE2 3.49Å; Q532-I547 PolarHBondContact N-O 2.69Å; Q532-P548 CarbonylContact O-C 3.6Å; Q532-V549 PolarHBondContact O-N 3.18Å
533I91.9Very high76.4Confident1 Ų157.2 Ų57.21%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-103.7116.5175.3-50.3177.7000108.9C513 G515 V531 V549 L551 C555 F561C513-I533 PolarHBondContact O-N 2.88Å; G515-I533 PolarHBondContact N-O 3.11Å; V531-I533 HydrophobicContact CG1-CG1 4.24Å; I533-V549 WeakPolarHBondContact CA-O 3.24Å; I533-V549 HydrophobicContact CB-CB 4.46Å; I533-V549 HydrophobicContact CG1-CB 4.1Å; I533-V549 HydrophobicContact CG1-CG2 4.37Å; I533-V549 HydrophobicContact CG2-CB 4.45Å; I533-V549 HydrophobicContact CG2-CG1 4.36Å; I533-L551 HydrophobicContact CG2-CD1 3.73Å; I533-L551 HydrophobicContact CG2-CG 4.22Å; I533-C555 PolarHBondContact O-SG 3.11Å; I533-F561 HydrophobicContact CB-CE2 4.28Å; I533-F561 HydrophobicContact CD1-CE1 4.24Å; I533-F561 HydrophobicContact CD1-CE2 4.09Å; I533-F561 HydrophobicContact CD1-CZ 3.78Å; I533-F561 HydrophobicContact CG2-CD2 4.02Å; I533-F561 HydrophobicContact CG2-CE2 3.76Å
534S88.9Confident77.6Confident12 Ų1259.2 Ų59.28%0.08432%0.321CS..EExtended strand (participates in β ladder)trans-144.7174.6-176.281.60000112.4G515 V549 C550 L551G515-S534 WeakPolarHBondContact O-CB 3.47Å; S534-V549 PolarHBondContact N-O 3.29Å; S534-C550 WeakPolarHBondContact O-CA 3.32Å; S534-L551 PolarHBondContact O-N 3.28Å
535G80.7Confident78.8Confident29 Ų2957 Ų5730%0.29929%0.29SS..SBendtrans-1039.4176.600000115.7L551G535-L551 VanDerWaalsContact CA-O 3.27Å; G535-L551 WeakPolarHBondContact CA-O 3.46Å
536E72.1Confident79.5Confident80 Ų8052.9 Ų52.937%0.37427%0.267SS..SBendtrans-113.7130.8-176-67.2-177.8-176.300110.5K516 K538 C550K516-E536 WeakPolarHBondContact CD-OE1 3.46Å; K516-E536 IonicContact NZ-OE1 3.21Å; K516-E536 PolarHBondContact NZ-OE1 2.79Å; E536-K538 PolarHBondContact O-N 2.98Å; E536-C550 PolarHBondContact O-SG 3.47Å
537D63.9Low79.9Confident126 Ų12652.4 Ų52.467%0.67426%0.262SS*.  trans-68.1102.3176.1-80.7-33.3000109.3C550D537-C550 PolarHBondContact OD1-SG 2.86Å
538K63.1Low80.1Confident94 Ų9449.5 Ų49.541%0.40925%0.251SS..  trans-120.8108.6168.9-68.8-175.1173.1-175.70108.2E518 E536E518-K538 WeakPolarHBondContact OE2-CD 3.47Å; E518-K538 IonicContact OE2-NZ 2.75Å; E518-K538 PolarHBondContact OE2-NZ 3.26Å; E536-K538 PolarHBondContact O-N 2.98Å
539E53.4Low80.2Confident185 Ų18549.3 Ų49.386%0.86425%0.25SS*.  trans-80.5-15.2-169.9-77.6-168.1147.300115Q541E539-Q541 PolarHBondContact O-N 3.47Å
540E62Low80Confident157 Ų15750.3 Ų50.373%0.73426%0.257SS*.  trans-83.293-172.5-74.5-171.9170.300112.4K542E540-K542 PolarHBondContact O-N 3.06Å; E540-K542 VanDerWaalsContact O-N 3.17Å
541Q63.2Low79.8Confident53 Ų5350.2 Ų50.225%0.24826%0.257CS..  trans-64.6110.2165-173.8-178.7-1.800109.8E539 G543E539-Q541 PolarHBondContact O-N 3.47Å; Q541-G543 VanDerWaalsContact CG-O 3.32Å; Q541-G543 WeakPolarHBondContact CG-O 3.5Å; Q541-G543 PolarHBondContact NE2-O 3.13Å; Q541-G543 PolarHBondContact O-N 3.19Å
542K66.8Low79.3Confident76 Ų7655.5 Ų55.533%0.3328%0.279SS..  trans-81.354.4178-67.4169.1178.8158.30112.1E518 N520 A522 E540 Y546E518-K542 IonicContact OE1-NZ 2.83Å; E518-K542 PolarHBondContact OE1-NZ 3.04Å; N520-K542 PolarHBondContact OD1-NZ 3.45Å; A522-K542 HydrophobicContact CB-CB 4.44Å; E540-K542 PolarHBondContact O-N 3.06Å; E540-K542 VanDerWaalsContact O-N 3.17Å; K542-Y546 HydrophobicContact CB-CD1 4.02Å; K542-Y546 HydrophobicContact CB-CG 4.19Å; K542-Y546 HydrophobicContact CG-CD1 4.48Å
543G78.4Confident78.7Confident42 Ų4260.4 Ų60.443%0.43330%0.301SS..SBendtrans86.3-175-178.200000114.7Q541 Y545Q541-G543 VanDerWaalsContact CG-O 3.32Å; Q541-G543 WeakPolarHBondContact CG-O 3.5Å; Q541-G543 PolarHBondContact NE2-O 3.13Å; Q541-G543 PolarHBondContact O-N 3.19Å; G543-Y545 VanDerWaalsContact C-N 3.35Å; G543-Y545 PolarHBondContact O-N 3.4Å
544K85.1Confident78.3Confident80 Ų8061.2 Ų61.235%0.34831%0.309SS..THydrogen-bonded Turntrans-75.6-16.7-171.370.2174.9-177.21690115.8D662 W663K544-D662 HydrophobicContact CB-CB 4.18Å; K544-D662 WeakPolarHBondContact CB-OD2 3.24Å; K544-D662 HydrophobicContact CD-CB 4.01Å; K544-D662 WeakPolarHBondContact CD-OD1 3.42Å; K544-W663 PolarHBondContact O-NE1 3.31Å
545Y88.4Confident78.1Confident64 Ų6460.9 Ų60.925%0.25131%0.307SS..THydrogen-bonded Turntrans-100.74.7-178.8-61.1-69.4000113.8G526 M528 L529 V530 G543 Y576 W663G526-Y545 VanDerWaalsContact CA-CE2 3.49Å; M528-Y545 WeakPolarHBondContact O-CB 3.48Å; L529-Y545 HydrophobicContact CD1-CD1 4.47Å; V530-Y545 PolarHBondContact N-O 2.68Å; G543-Y545 VanDerWaalsContact C-N 3.35Å; G543-Y545 PolarHBondContact O-N 3.4Å; Y545-Y576 HydrophobicContact CE1-CE2 4.47Å; Y545-W663 AromaticContact CD1-CH2 3.84Å; Y545-W663 HydrophobicContact CD1-CH2 3.84Å; Y545-W663 AromaticContact CD1-CZ2 3.6Å; Y545-W663 HydrophobicContact CD1-CZ2 3.6Å; Y545-W663 AromaticContact CE1-CH2 3.71Å; Y545-W663 HydrophobicContact CE1-CH2 3.71Å; Y545-W663 AromaticContact CE1-CZ2 3.74Å; Y545-W663 HydrophobicContact CE1-CZ2 3.74Å
546Y89Confident78.3Confident8 Ų861.6 Ų61.63%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-123.2114.6171.6-179.5-92.5000109E518 V530 K542 P548E518-Y546 WeakPolarHBondContact CG-OH 3.47Å; E518-Y546 PolarHBondContact OE1-OH 2.79Å; V530-Y546 HydrophobicContact CB-CD2 3.84Å; V530-Y546 HydrophobicContact CB-CE2 4.41Å; V530-Y546 HydrophobicContact CG1-CD2 3.91Å; V530-Y546 HydrophobicContact CG1-CE2 3.96Å; K542-Y546 HydrophobicContact CB-CD1 4.02Å; K542-Y546 HydrophobicContact CB-CG 4.19Å; K542-Y546 HydrophobicContact CG-CD1 4.48Å; Y546-P548 HydrophobicContact CD1-CG 4.3Å; Y546-P548 HydrophobicContact CE1-CB 3.9Å; Y546-P548 HydrophobicContact CE1-CG 3.97Å; Y546-P548 WeakPolarHBondContact O-CD 3.27Å
547I90.1Very high78.9Confident1 Ų158.7 Ų58.71%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-120.595.7-170.6-60.2173.2000108.9L529 V530 V531 Q532 V549 L572 M655 L659L529-I547 HydrophobicContact CD1-CD1 3.91Å; L529-I547 HydrophobicContact CD1-CG1 4.47Å; V530-I547 PolarHBondContact O-N 3.11Å; V531-I547 WeakPolarHBondContact CA-O 3.32Å; V531-I547 HydrophobicContact CG2-CB 4.42Å; Q532-I547 PolarHBondContact N-O 2.69Å; I547-V549 HydrophobicContact CG2-CG2 4.2Å; I547-V549 PolarHBondContact O-N 2.81Å; I547-L572 HydrophobicContact CD1-CD1 3.37Å; I547-L572 HydrophobicContact CD1-CD2 3.67Å; I547-L572 HydrophobicContact CD1-CG 4.16Å; I547-M655 HydrophobicContact CG2-SD 4.15Å; I547-L659 HydrophobicContact CD1-CD1 4.06Å; I547-L659 HydrophobicContact CD1-CD2 4.31Å; I547-L659 HydrophobicContact CG1-CD1 4.23Å; I547-L659 HydrophobicContact CG1-CD2 4.2Å; I547-L659 HydrophobicContact CG2-CD1 3.79Å
548P89.3Confident80.1Confident17 Ų1754.9 Ų54.911%0.1128%0.283CS..EExtended strand (participates in β ladder)trans-83.7105.6176.931.6-30.8000110.1Q532 Y546 M655Q532-P548 CarbonylContact O-C 3.6Å; Y546-P548 HydrophobicContact CD1-CG 4.3Å; Y546-P548 HydrophobicContact CE1-CB 3.9Å; Y546-P548 HydrophobicContact CE1-CG 3.97Å; Y546-P548 WeakPolarHBondContact O-CD 3.27Å; P548-M655 WeakPolarHBondContact O-CE 3.46Å
549V89.8Confident81.2Confident2 Ų250.9 Ų50.91%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-88.6112.8172.8-175.90000109.4V531 Q532 I533 S534 I547 L551 A564 L568 L652 M655V531-V549 HydrophobicContact CG1-CG2 4.07Å; Q532-V549 PolarHBondContact O-N 3.18Å; I533-V549 WeakPolarHBondContact CA-O 3.24Å; I533-V549 HydrophobicContact CB-CB 4.46Å; I533-V549 HydrophobicContact CG1-CB 4.1Å; I533-V549 HydrophobicContact CG1-CG2 4.37Å; I533-V549 HydrophobicContact CG2-CB 4.45Å; I533-V549 HydrophobicContact CG2-CG1 4.36Å; S534-V549 PolarHBondContact N-O 3.29Å; I547-V549 HydrophobicContact CG2-CG2 4.2Å; I547-V549 PolarHBondContact O-N 2.81Å; V549-L551 HydrophobicContact CG1-CD2 4.23Å; V549-L551 HydrophobicContact CG1-CG 4.43Å; V549-A564 HydrophobicContact CG1-CB 3.84Å; V549-L568 HydrophobicContact CG2-CD1 4.03Å; V549-L652 HydrophobicContact CG1-CD2 3.7Å; V549-M655 HydrophobicContact CG2-SD 4.05Å
550C88.1Confident82.9Confident22 Ų2242 Ų4215%0.14922%0.224CC..EExtended strand (participates in β ladder)trans-98.5124.2173.4-175.50000110.5S534 E536 D537S534-C550 WeakPolarHBondContact O-CA 3.32Å; E536-C550 PolarHBondContact O-SG 3.47Å; D537-C550 PolarHBondContact OD1-SG 2.86Å
551L87.3Confident84.3Confident0 Ų034.6 Ų34.60%019%0.19CC..  trans-112114.3172.2-58.5177.8000108.3I533 S534 G535 V549 K553 G554 F561 L652I533-L551 HydrophobicContact CG2-CD1 3.73Å; I533-L551 HydrophobicContact CG2-CG 4.22Å; S534-L551 PolarHBondContact O-N 3.28Å; G535-L551 VanDerWaalsContact CA-O 3.27Å; G535-L551 WeakPolarHBondContact CA-O 3.46Å; V549-L551 HydrophobicContact CG1-CD2 4.23Å; V549-L551 HydrophobicContact CG1-CG 4.43Å; L551-K553 PolarHBondContact O-N 2.72Å; L551-K553 VanDerWaalsContact O-N 3.15Å; L551-G554 WeakPolarHBondContact O-CA 3.5Å; L551-G554 PolarHBondContact O-N 2.99Å; L551-F561 HydrophobicContact CD1-CB 4.12Å; L551-F561 HydrophobicContact CD1-CD2 4.05Å; L551-F561 HydrophobicContact CD1-CG 4.46Å; L551-L652 HydrophobicContact CD2-CD1 4.45Å; L551-L652 HydrophobicContact CD2-CD2 4.49Å
552K83Confident85.6Confident111 Ų11132 Ų3248%0.48318%0.178SC..THydrogen-bonded Turntrans-61-30.7-172.4-67.4-172-176.3-173.50113.8G554 D647 D648K552-G554 VanDerWaalsContact C-N 3.26Å; K552-D647 HydrophobicContact CD-CB 3.96Å; K552-D647 IonicContact NZ-OD2 2.7Å; K552-D647 PolarHBondContact NZ-OD2 3.44Å; K552-D648 WeakPolarHBondContact CB-OD1 3.31Å; K552-D648 WeakPolarHBondContact CG-OD1 3.36Å; K552-D648 PolarHBondContact N-OD1 2.71Å
553K78.3Confident86.7Confident109 Ų10929.3 Ų29.347%0.47417%0.166SC..THydrogen-bonded Turntrans-81.2-0.7173.5-80171158.2178.70114.1L551 D557 L645L551-K553 PolarHBondContact O-N 2.72Å; L551-K553 VanDerWaalsContact O-N 3.15Å; K553-D557 HydrophobicContact CB-CB 3.61Å; K553-D557 HydrophobicContact CD-CB 4.03Å; K553-D557 WeakPolarHBondContact CD-OD2 3.29Å; K553-D557 IonicContact NZ-OD2 3.97Å; K553-L645 HydrophobicContact CD-CD1 3.42Å; K553-L645 VanDerWaalsContact CD-CD1 3.42Å; K553-L645 HydrophobicContact CD-CG 3.8Å; K553-L645 HydrophobicContact CG-CD1 3.56Å; K553-L645 HydrophobicContact CG-CG 4.47Å
554G84.3Confident87.4Confident17 Ų1727.3 Ų27.318%0.17515%0.146CC..  trans75.2177.4-172.800000113.3L551 K552 G556 D557L551-G554 WeakPolarHBondContact O-CA 3.5Å; L551-G554 PolarHBondContact O-N 2.99Å; K552-G554 VanDerWaalsContact C-N 3.26Å; G554-G556 PolarHBondContact O-N 3.41Å; G554-D557 PolarHBondContact O-N 2.89Å; G554-D557 VanDerWaalsContact O-N 3.1Å
555C84.6Confident87.9Confident5 Ų523.5 Ų23.53%0.03413%0.129CC..THydrogen-bonded Turntrans-70.9-3.1-175.1-480000114.4V514 I533 D557 F561 S589 V591V514-C555 HydrophobicContact CG1-CB 3.9Å; I533-C555 PolarHBondContact O-SG 3.11Å; C555-D557 VanDerWaalsContact C-N 3.33Å; C555-F561 HydrophobicContact CB-CD2 4Å; C555-F561 HydrophobicContact CB-CE2 4.01Å; C555-S589 WeakPolarHBondContact CB-O 3.24Å; C555-V591 HydrophobicContact CB-CB 4.4Å
556G83.8Confident88.1Confident44 Ų4420.6 Ų20.645%0.45412%0.118SC..THydrogen-bonded Turntrans-77.8-16.3170.300000113.6G554 T558 G590G554-G556 PolarHBondContact O-N 3.41Å; G556-T558 PolarHBondContact O-N 3.12Å; G556-G590 WeakPolarHBondContact CA-O 3.46Å
557D86.1Confident88.2Confident20 Ų2020.4 Ų20.411%0.10712%0.119CC..  trans-74.597.3172.6-174.212000110.7K553 G554 C555 V559 G560 F561K553-D557 HydrophobicContact CB-CB 3.61Å; K553-D557 HydrophobicContact CD-CB 4.03Å; K553-D557 WeakPolarHBondContact CD-OD2 3.29Å; K553-D557 IonicContact NZ-OD2 3.97Å; G554-D557 PolarHBondContact O-N 2.89Å; G554-D557 VanDerWaalsContact O-N 3.1Å; C555-D557 VanDerWaalsContact C-N 3.33Å; D557-V559 PolarHBondContact O-N 3.38Å; D557-V559 PolarHBondContact OD1-N 3.42Å; D557-G560 PolarHBondContact O-N 3.28Å; D557-F561 VanDerWaalsContact O-CB 3.23Å; D557-F561 WeakPolarHBondContact O-CB 3.23Å; D557-F561 PolarHBondContact O-N 2.93Å
558T88.2Confident88.4Confident46 Ų4620.4 Ų20.428%0.28212%0.119SC..Hα-helixtrans-58.2-33.6-176.8-58.20000111.9G556 I562 M595 L638 L641G556-T558 PolarHBondContact O-N 3.12Å; T558-I562 WeakPolarHBondContact O-CB 3.44Å; T558-I562 WeakPolarHBondContact O-CG2 3.47Å; T558-I562 PolarHBondContact O-N 3.24Å; T558-M595 HydrophobicContact CG2-SD 4.13Å; T558-L638 HydrophobicContact CG2-CB 4.27Å; T558-L638 HydrophobicContact CG2-CD1 3.81Å; T558-L638 HydrophobicContact CG2-CD2 4.08Å; T558-L638 HydrophobicContact CG2-CG 4.27Å; T558-L641 HydrophobicContact CG2-CD2 3.71Å
559V86.8Confident88.7Confident9 Ų919.7 Ų19.76%0.05511%0.114CC..Hα-helixtrans-75.6-50.9-175.3-169.30000110.8D557 F561 I562 Q563 L641 L642 P644D557-V559 PolarHBondContact O-N 3.38Å; D557-V559 PolarHBondContact OD1-N 3.42Å; V559-F561 PolarHBondContact O-N 3.37Å; V559-I562 WeakPolarHBondContact O-CG2 3.44Å; V559-I562 PolarHBondContact O-N 3.15Å; V559-Q563 WeakPolarHBondContact O-CB 3.38Å; V559-Q563 WeakPolarHBondContact O-CG 3.21Å; V559-Q563 PolarHBondContact O-N 3.45Å; V559-L641 HydrophobicContact CG2-CB 4.25Å; V559-L641 HydrophobicContact CG2-CD2 4.33Å; V559-L642 HydrophobicContact CG2-CB 4.48Å; V559-L642 WeakPolarHBondContact CG2-O 3.4Å; V559-P644 HydrophobicContact CB-CB 4.49Å; V559-P644 HydrophobicContact CG1-CB 3.64Å; V559-P644 HydrophobicContact CG1-CG 4Å
560G87.6Confident89.1Confident0 Ų019.6 Ų19.60%011%0.113CC..Hα-helixtrans-60.6-37.9174.300000111.8D557 Q563 A564D557-G560 PolarHBondContact O-N 3.28Å; G560-Q563 PolarHBondContact O-N 2.92Å; G560-A564 PolarHBondContact O-N 2.92Å
561F91.6Very high89.5Confident0 Ų018.6 Ų18.60%011%0.106CC..Hα-helixtrans-64.2-50.3177.3-160.3-74.4000112V514 I533 L551 C555 D557 V559 Q563 A564 V565 V591 M595 L599V514-F561 HydrophobicContact CG1-CE2 3.73Å; V514-F561 HydrophobicContact CG1-CZ 4.14Å; V514-F561 HydrophobicContact CG2-CE2 4.27Å; V514-F561 HydrophobicContact CG2-CZ 3.92Å; I533-F561 HydrophobicContact CB-CE2 4.28Å; I533-F561 HydrophobicContact CD1-CE1 4.24Å; I533-F561 HydrophobicContact CD1-CE2 4.09Å; I533-F561 HydrophobicContact CD1-CZ 3.78Å; I533-F561 HydrophobicContact CG2-CD2 4.02Å; I533-F561 HydrophobicContact CG2-CE2 3.76Å; L551-F561 HydrophobicContact CD1-CB 4.12Å; L551-F561 HydrophobicContact CD1-CD2 4.05Å; L551-F561 HydrophobicContact CD1-CG 4.46Å; C555-F561 HydrophobicContact CB-CD2 4Å; C555-F561 HydrophobicContact CB-CE2 4.01Å; D557-F561 VanDerWaalsContact O-CB 3.23Å; D557-F561 WeakPolarHBondContact O-CB 3.23Å; D557-F561 PolarHBondContact O-N 2.93Å; V559-F561 PolarHBondContact O-N 3.37Å; F561-Q563 VanDerWaalsContact C-N 3.29Å; F561-Q563 PolarHBondContact O-N 3.17Å; F561-A564 WeakPolarHBondContact O-CB 3.35Å; F561-A564 PolarHBondContact O-N 3.34Å; F561-A564 VanDerWaalsContact O-N 3.14Å; F561-V565 HydrophobicContact CD1-CG2 3.82Å; F561-V565 HydrophobicContact CE1-CG2 3.75Å; F561-V565 WeakPolarHBondContact O-CG2 3.37Å; F561-V565 PolarHBondContact O-N 3.22Å; F561-V591 HydrophobicContact CE2-CG2 4.33Å; F561-M595 HydrophobicContact CB-CG 4.48Å; F561-M595 HydrophobicContact CB-SD 4.46Å; F561-M595 HydrophobicContact CD1-CE 3.61Å; F561-M595 HydrophobicContact CD1-CG 3.82Å; F561-M595 HydrophobicContact CD1-SD 3.84Å; F561-M595 HydrophobicContact CE1-CE 3.93Å; F561-M595 HydrophobicContact CE1-CG 4.32Å; F561-M595 HydrophobicContact CG-CG 4.16Å; F561-M595 HydrophobicContact CG-SD 4.43Å; F561-L599 HydrophobicContact CE1-CD1 4.37Å; F561-L599 HydrophobicContact CE1-CD2 4.02Å; F561-L599 HydrophobicContact CZ-CD2 3.98Å
562I91.1Very high89.9Confident0 Ų018.6 Ų18.60%011%0.106CC..Hα-helixtrans-67.6-32.6-179.2-158.771.1000111.7Y251 I356 T558 V559 V565 F566 M595 L638 L641Y251-I562 HydrophobicContact CD1-CD1 4.07Å; Y251-I562 HydrophobicContact CD1-CG1 4.08Å; Y251-I562 HydrophobicContact CE1-CD1 4.04Å; Y251-I562 HydrophobicContact CG-CG1 4.44Å; I356-I562 HydrophobicContact CD1-CG2 4.17Å; T558-I562 WeakPolarHBondContact O-CB 3.44Å; T558-I562 WeakPolarHBondContact O-CG2 3.47Å; T558-I562 PolarHBondContact O-N 3.24Å; V559-I562 WeakPolarHBondContact O-CG2 3.44Å; V559-I562 PolarHBondContact O-N 3.15Å; I562-V565 HydrophobicContact CD1-CB 4.39Å; I562-V565 WeakPolarHBondContact O-CB 3.37Å; I562-V565 PolarHBondContact O-N 2.62Å; I562-F566 HydrophobicContact CD1-CE1 4.13Å; I562-F566 HydrophobicContact CD1-CE2 3.91Å; I562-F566 HydrophobicContact CD1-CZ 3.54Å; I562-F566 HydrophobicContact CG1-CD2 3.96Å; I562-F566 HydrophobicContact CG1-CE1 4.38Å; I562-F566 HydrophobicContact CG1-CE2 3.3Å; I562-F566 HydrophobicContact CG1-CZ 3.5Å; I562-F566 PolarHBondContact O-N 3.31Å; I562-M595 HydrophobicContact CB-SD 4.36Å; I562-M595 HydrophobicContact CD1-CE 3.6Å; I562-M595 HydrophobicContact CD1-SD 4.08Å; I562-L638 HydrophobicContact CD1-CD1 4.1Å; I562-L638 HydrophobicContact CG1-CD1 4.31Å; I562-L641 HydrophobicContact CG2-CD1 4.09Å
563Q89.8Confident90.5Very high18 Ų1813.3 Ų13.38%0.0848%0.083CC..Hα-helixtrans-60.9-42.5170.2-79.7-177.7-39.400112.3I356 V559 G560 F561 V565 G567 L652I356-Q563 HydrophobicContact CD1-CG 3.85Å; I356-Q563 HydrophobicContact CG1-CG 3.42Å; I356-Q563 VanDerWaalsContact CG1-CG 3.42Å; I356-Q563 PolarHBondContact O-NE2 2.9Å; I356-Q563 VanDerWaalsContact O-NE2 3.15Å; V559-Q563 WeakPolarHBondContact O-CB 3.38Å; V559-Q563 WeakPolarHBondContact O-CG 3.21Å; V559-Q563 PolarHBondContact O-N 3.45Å; G560-Q563 PolarHBondContact O-N 2.92Å; F561-Q563 VanDerWaalsContact C-N 3.29Å; F561-Q563 PolarHBondContact O-N 3.17Å; Q563-V565 VanDerWaalsContact C-N 3.3Å; Q563-V565 PolarHBondContact O-N 3.11Å; Q563-G567 VanDerWaalsContact O-CA 3.31Å; Q563-G567 WeakPolarHBondContact O-CA 3.38Å; Q563-G567 PolarHBondContact O-N 2.89Å; Q563-L652 HydrophobicContact CB-CD1 3.67Å
564A93.1Very high91.3Very high1 Ų18.6 Ų8.61%0.0086%0.063CC..Hα-helixtrans-64.9-36.4174.200000111.7V549 G560 F561 L568 L569 L652V549-A564 HydrophobicContact CG1-CB 3.84Å; G560-A564 PolarHBondContact O-N 2.92Å; F561-A564 WeakPolarHBondContact O-CB 3.35Å; F561-A564 PolarHBondContact O-N 3.34Å; F561-A564 VanDerWaalsContact O-N 3.14Å; A564-L568 WeakPolarHBondContact O-CA 3.15Å; A564-L568 WeakPolarHBondContact O-CB 3.4Å; A564-L568 PolarHBondContact O-N 2.83Å; A564-L569 PolarHBondContact O-N 2.72Å; A564-L652 HydrophobicContact CB-CD1 4.24Å; A564-L652 HydrophobicContact CB-CD2 3.83Å
565V95.4Very high91.9Very high0 Ų010.1 Ų10.10%07%0.065CC..Iπ-helixtrans-62.9-53.3177.71730000111.2F561 I562 Q563 L569 L570 M595 L599 L602F561-V565 HydrophobicContact CD1-CG2 3.82Å; F561-V565 HydrophobicContact CE1-CG2 3.75Å; F561-V565 WeakPolarHBondContact O-CG2 3.37Å; F561-V565 PolarHBondContact O-N 3.22Å; I562-V565 HydrophobicContact CD1-CB 4.39Å; I562-V565 WeakPolarHBondContact O-CB 3.37Å; I562-V565 PolarHBondContact O-N 2.62Å; Q563-V565 VanDerWaalsContact C-N 3.3Å; Q563-V565 PolarHBondContact O-N 3.11Å; V565-L569 HydrophobicContact CG2-CD2 4.38Å; V565-L569 PolarHBondContact O-N 3.12Å; V565-L570 HydrophobicContact CG1-CD1 4.38Å; V565-L570 HydrophobicContact CG1-CG 4Å; V565-L570 PolarHBondContact O-N 3.22Å; V565-M595 HydrophobicContact CG2-CE 4.41Å; V565-L599 HydrophobicContact CG2-CD1 3.91Å; V565-L602 HydrophobicContact CG1-CD1 3.83Å
566F93.9Very high92.3Very high2 Ų210.3 Ų10.31%0.0097%0.065CC..Iπ-helixtrans-77.5-37.6-177.8-58.4-33.7000113.2L247 P248 Y251 I562 L570 P571 L602L247-F566 HydrophobicContact CB-CD1 4.1Å; L247-F566 HydrophobicContact CB-CD2 4.26Å; L247-F566 HydrophobicContact CB-CE1 4.05Å; L247-F566 HydrophobicContact CB-CE2 4.16Å; L247-F566 HydrophobicContact CB-CG 4.24Å; L247-F566 HydrophobicContact CB-CZ 4.11Å; L247-F566 HydrophobicContact CD1-CD1 4.28Å; L247-F566 HydrophobicContact CD1-CE1 4.28Å; P248-F566 HydrophobicContact CB-CD2 4.39Å; P248-F566 HydrophobicContact CG-CB 4.09Å; P248-F566 HydrophobicContact CG-CD2 4.04Å; P248-F566 HydrophobicContact CG-CG 4.4Å; Y251-F566 HydrophobicContact CD1-CE2 4.28Å; Y251-F566 AromaticContact CD1-CZ 3.97Å; Y251-F566 HydrophobicContact CD1-CZ 3.97Å; Y251-F566 HydrophobicContact CD2-CE1 4.39Å; Y251-F566 AromaticContact CD2-CE2 3.58Å; Y251-F566 HydrophobicContact CD2-CE2 3.58Å; Y251-F566 AromaticContact CD2-CZ 3.28Å; Y251-F566 HydrophobicContact CD2-CZ 3.28Å; Y251-F566 AromaticContact CE1-CZ 3.98Å; Y251-F566 HydrophobicContact CE1-CZ 3.98Å; Y251-F566 HydrophobicContact CE2-CE1 4.09Å; Y251-F566 HydrophobicContact CE2-CE2 4.11Å; Y251-F566 AromaticContact CE2-CZ 3.32Å; Y251-F566 HydrophobicContact CE2-CZ 3.32Å; Y251-F566 AromaticContact CG-CE2 3.67Å; Y251-F566 HydrophobicContact CG-CE2 3.67Å; Y251-F566 AromaticContact CG-CZ 3.62Å; Y251-F566 HydrophobicContact CG-CZ 3.62Å; Y251-F566 AromaticContact CZ-CZ 3.66Å; I562-F566 HydrophobicContact CD1-CE1 4.13Å; I562-F566 HydrophobicContact CD1-CE2 3.91Å; I562-F566 HydrophobicContact CD1-CZ 3.54Å; I562-F566 HydrophobicContact CG1-CD2 3.96Å; I562-F566 HydrophobicContact CG1-CE1 4.38Å; I562-F566 HydrophobicContact CG1-CE2 3.3Å; I562-F566 HydrophobicContact CG1-CZ 3.5Å; I562-F566 PolarHBondContact O-N 3.31Å; F566-L570 HydrophobicContact CD1-CD1 3.71Å; F566-L570 HydrophobicContact CE1-CD1 4.05Å; F566-P571 WeakPolarHBondContact O-CD 3.43Å; F566-P571 WeakPolarHBondContact O-CG 3.44Å; F566-L602 HydrophobicContact CE1-CD1 3.83Å; F566-L602 HydrophobicContact CZ-CD1 4.45Å
567G89.9Confident92.8Very high5 Ų59.6 Ų9.65%0.0525%0.051CC..Iπ-helixtrans-73.6-32.8-178.400000113.3Q563 R656 L666Q563-G567 VanDerWaalsContact O-CA 3.31Å; Q563-G567 WeakPolarHBondContact O-CA 3.38Å; Q563-G567 PolarHBondContact O-N 2.89Å; G567-R656 PolarHBondContact O-NH1 3.07Å; G567-L666 VanDerWaalsContact O-CD2 3.23Å; G567-L666 WeakPolarHBondContact O-CD2 3.22Å
568L93.9Very high93.1Very high1 Ų18.7 Ų8.71%0.0055%0.046CC..Iπ-helixtrans-125.7-62.8-173.9-59.9172.5000111.2V549 A564 L570 P571 L572 L652 M655 R656 L659 L666V549-L568 HydrophobicContact CG2-CD1 4.03Å; A564-L568 WeakPolarHBondContact O-CA 3.15Å; A564-L568 WeakPolarHBondContact O-CB 3.4Å; A564-L568 PolarHBondContact O-N 2.83Å; L568-L570 PolarHBondContact O-N 2.89Å; L568-P571 WeakPolarHBondContact O-CD 3.33Å; L568-L572 HydrophobicContact CB-CD1 4.16Å; L568-L572 VanDerWaalsContact O-CB 3.25Å; L568-L572 WeakPolarHBondContact O-CB 3.47Å; L568-L572 VanDerWaalsContact O-CD1 3.25Å; L568-L572 WeakPolarHBondContact O-CD1 3.36Å; L568-L572 WeakPolarHBondContact O-CG 3.42Å; L568-L572 PolarHBondContact O-N 3.35Å; L568-L652 HydrophobicContact CD1-CD2 3.71Å; L568-M655 HydrophobicContact CD1-CB 4.45Å; L568-M655 HydrophobicContact CD1-CG 4.17Å; L568-M655 HydrophobicContact CD1-SD 3.71Å; L568-R656 HydrophobicContact CD2-CB 3.94Å; L568-L659 HydrophobicContact CD2-CD1 4.35Å; L568-L666 HydrophobicContact CD2-CD1 4.38Å; L568-L666 HydrophobicContact CD2-CD2 4.02Å
569L96.6Very high93.3Very high1 Ų17.5 Ų7.51%0.0054%0.043CC..Iπ-helixtrans-62.7-45.6-164.9-179.858.4000113.7L510 V512 V531 A564 V565 G573 L599 L603L510-L569 HydrophobicContact CD2-CD1 4.5Å; V512-L569 HydrophobicContact CG1-CD1 4.45Å; V512-L569 HydrophobicContact CG1-CD2 3.97Å; V512-L569 HydrophobicContact CG2-CD1 3.68Å; V512-L569 HydrophobicContact CG2-CD2 4.31Å; V531-L569 HydrophobicContact CB-CD1 4.03Å; V531-L569 HydrophobicContact CG1-CD1 4.16Å; V531-L569 HydrophobicContact CG2-CD1 3.85Å; A564-L569 PolarHBondContact O-N 2.72Å; V565-L569 HydrophobicContact CG2-CD2 4.38Å; V565-L569 PolarHBondContact O-N 3.12Å; L569-G573 PolarHBondContact O-N 2.69Å; L569-L599 HydrophobicContact CD2-CD1 3.7Å; L569-L603 HydrophobicContact CD2-CD1 4.42Å; L569-L603 HydrophobicContact CD2-CD2 3.96Å; L569-L603 HydrophobicContact CG-CD2 4.11Å
570L97Very high93.5Very high1 Ų17.2 Ų7.21%0.0054%0.041CC..Hα-helixtrans-66.5-53.9-179.9-72.7-171.3000112.1L247 L288 V565 F566 L568 L572 G573 Y574 L602 L603 F606L247-L570 HydrophobicContact CD1-CD1 4.19Å; L288-L570 HydrophobicContact CD2-CD1 4.05Å; V565-L570 HydrophobicContact CG1-CD1 4.38Å; V565-L570 HydrophobicContact CG1-CG 4Å; V565-L570 PolarHBondContact O-N 3.22Å; F566-L570 HydrophobicContact CD1-CD1 3.71Å; F566-L570 HydrophobicContact CE1-CD1 4.05Å; L568-L570 PolarHBondContact O-N 2.89Å; L570-L572 VanDerWaalsContact C-N 3.27Å; L570-L572 PolarHBondContact O-N 3.02Å; L570-G573 PolarHBondContact O-N 3.23Å; L570-G573 VanDerWaalsContact O-N 3.12Å; L570-Y574 VanDerWaalsContact O-CD2 3.26Å; L570-Y574 WeakPolarHBondContact O-CD2 3.37Å; L570-Y574 PolarHBondContact O-N 3.18Å; L570-L602 HydrophobicContact CD1-CD2 4.33Å; L570-L602 HydrophobicContact CD2-CB 4.31Å; L570-L603 HydrophobicContact CD2-CD2 4.44Å; L570-F606 HydrophobicContact CD2-CE2 3.96Å; L570-F606 HydrophobicContact CD2-CZ 3.79Å
571P96.5Very high93.9Very high0 Ų07.2 Ų7.20%04%0.041CC..Hα-helixtrans-52.9-44.7175-26.931.7000113.3C243 F566 L568 Y574 E575 M665 L666C243-P571 HydrophobicContact CB-CG 3.94Å; F566-P571 WeakPolarHBondContact O-CD 3.43Å; F566-P571 WeakPolarHBondContact O-CG 3.44Å; L568-P571 WeakPolarHBondContact O-CD 3.33Å; P571-Y574 PolarHBondContact O-N 2.9Å; P571-E575 WeakPolarHBondContact O-CB 3.3Å; P571-E575 PolarHBondContact O-N 3.43Å; P571-M665 HydrophobicContact CB-CB 3.94Å; P571-L666 HydrophobicContact CB-CD2 3.74Å; P571-L666 HydrophobicContact CB-CG 4.49Å; P571-L666 HydrophobicContact CG-CD2 4.16Å
572L95.7Very high94Very high0 Ų07.2 Ų7.20%04%0.041CC..Hα-helixtrans-61.4-46.5176.5-74.4165.6000111.9L529 V531 I547 L568 L570 Y574 E575 Y576 W663 L666L529-L572 HydrophobicContact CD2-CB 4.3Å; V531-L572 HydrophobicContact CG2-CD1 4.43Å; I547-L572 HydrophobicContact CD1-CD1 3.37Å; I547-L572 HydrophobicContact CD1-CD2 3.67Å; I547-L572 HydrophobicContact CD1-CG 4.16Å; L568-L572 HydrophobicContact CB-CD1 4.16Å; L568-L572 VanDerWaalsContact O-CB 3.25Å; L568-L572 WeakPolarHBondContact O-CB 3.47Å; L568-L572 VanDerWaalsContact O-CD1 3.25Å; L568-L572 WeakPolarHBondContact O-CD1 3.36Å; L568-L572 WeakPolarHBondContact O-CG 3.42Å; L568-L572 PolarHBondContact O-N 3.35Å; L570-L572 VanDerWaalsContact C-N 3.27Å; L570-L572 PolarHBondContact O-N 3.02Å; L572-Y574 VanDerWaalsContact C-N 3.33Å; L572-Y574 PolarHBondContact O-N 3.34Å; L572-E575 PolarHBondContact O-N 3.19Å; L572-Y576 WeakPolarHBondContact O-CB 3.45Å; L572-Y576 PolarHBondContact O-N 2.87Å; L572-W663 HydrophobicContact CD2-CB 3.78Å; L572-W663 HydrophobicContact CD2-CD2 3.43Å; L572-W663 VanDerWaalsContact CD2-CD2 3.43Å; L572-W663 HydrophobicContact CD2-CE3 3.95Å; L572-W663 HydrophobicContact CD2-CG 3.34Å; L572-L666 HydrophobicContact CD2-CD1 4.05Å; L572-L666 HydrophobicContact CG-CD1 4.32Å; L572-L666 HydrophobicContact CG-CD2 4.29Å
573G95.6Very high94.2Very high0 Ų07.2 Ų7.20%04%0.041CC..Hα-helixtrans-63.7-38.4179.700000112.7L569 L570 D577 P578L569-G573 PolarHBondContact O-N 2.69Å; L570-G573 PolarHBondContact O-N 3.23Å; L570-G573 VanDerWaalsContact O-N 3.12Å; G573-D577 PolarHBondContact O-N 3.38Å; G573-P578 WeakPolarHBondContact O-CD 3.33Å
574Y96.4Very high94.4Very high10 Ų106.4 Ų6.44%0.0394%0.037CC..Hα-helixtrans-65.3-50.9174.3-86.6-70.1000111.9L239 H284 L329 L332 L570 P571 L572 Y576 D577 F606L239-Y574 HydrophobicContact CD1-CD1 3.43Å; L239-Y574 VanDerWaalsContact CD1-CD1 3.43Å; L239-Y574 HydrophobicContact CD1-CD2 4.36Å; L239-Y574 HydrophobicContact CD1-CE1 3.73Å; L239-Y574 HydrophobicContact CD1-CG 3.78Å; L239-Y574 HydrophobicContact CD2-CD1 4.26Å; L239-Y574 HydrophobicContact CD2-CD2 4.42Å; L239-Y574 HydrophobicContact CD2-CE1 3.75Å; L239-Y574 HydrophobicContact CD2-CE2 3.99Å; L239-Y574 HydrophobicContact CG-CD1 4.47Å; L239-Y574 HydrophobicContact CG-CE1 4.41Å; H284-Y574 HydrophobicContact CB-CE1 4.38Å; H284-Y574 AromaticContact ND1-CE1 3.45Å; H284-Y574 WeakPolarHBondContact ND1-CE1 3.46Å; H284-Y574 AromaticContact ND1-CZ 3.9Å; H284-Y574 PolarHBondContact ND1-OH 3.13Å; L329-Y574 HydrophobicContact CD1-CD1 4.35Å; L329-Y574 HydrophobicContact CD1-CE1 4.11Å; L332-Y574 HydrophobicContact CD1-CD1 4.13Å; L332-Y574 HydrophobicContact CD1-CG 4.39Å; L570-Y574 VanDerWaalsContact O-CD2 3.26Å; L570-Y574 WeakPolarHBondContact O-CD2 3.37Å; L570-Y574 PolarHBondContact O-N 3.18Å; P571-Y574 PolarHBondContact O-N 2.9Å; L572-Y574 VanDerWaalsContact C-N 3.33Å; L572-Y574 PolarHBondContact O-N 3.34Å; Y574-Y576 VanDerWaalsContact C-N 3.31Å; Y574-Y576 PolarHBondContact O-N 3.49Å; Y574-D577 PolarHBondContact O-N 3.11Å; Y574-F606 AromaticContact CD1-CE1 3.92Å; Y574-F606 HydrophobicContact CD1-CE1 3.92Å; Y574-F606 AromaticContact CD2-CE1 3.63Å; Y574-F606 HydrophobicContact CD2-CE1 3.63Å; Y574-F606 AromaticContact CD2-CZ 3.96Å; Y574-F606 HydrophobicContact CD2-CZ 3.96Å; Y574-F606 HydrophobicContact CE1-CE1 4.09Å; Y574-F606 AromaticContact CE2-CE1 3.77Å; Y574-F606 HydrophobicContact CE2-CE1 3.77Å; Y574-F606 HydrophobicContact CE2-CZ 4.13Å; Y574-F606 AromaticContact CG-CE1 3.69Å; Y574-F606 HydrophobicContact CG-CE1 3.69Å; Y574-F606 HydrophobicContact CG-CZ 4.38Å
575E95.5Very high94.4Very high49 Ų497.1 Ų7.123%0.2294%0.04CC..Hα-helixtrans-65.3-35.4179.8-171.4170.1174.200112.6P571 L572 W663 K664 M665P571-E575 WeakPolarHBondContact O-CB 3.3Å; P571-E575 PolarHBondContact O-N 3.43Å; L572-E575 PolarHBondContact O-N 3.19Å; E575-W663 HydrophobicContact CB-CE3 4.2Å; E575-W663 HydrophobicContact CG-CE3 3.99Å; E575-W663 HydrophobicContact CG-CZ3 4.45Å; E575-W663 VanDerWaalsContact OE1-CA 3.31Å; E575-W663 WeakPolarHBondContact OE1-CA 3.45Å; E575-W663 WeakPolarHBondContact OE2-CA 3.27Å; E575-K664 PolarHBondContact OE1-N 2.85Å; E575-K664 PolarHBondContact OE2-N 3.46Å; E575-M665 HydrophobicContact CB-CB 4.1Å; E575-M665 HydrophobicContact CB-CG 3.79Å; E575-M665 HydrophobicContact CG-CG 4.28Å; E575-M665 WeakPolarHBondContact OE2-CB 3.49Å; E575-M665 PolarHBondContact OE2-N 3Å
576Y94.2Very high94.1Very high10 Ų107.2 Ų7.24%0.0394%0.04CC..Hα-helixtrans-72.8-28.8178.5-173.7-116.1000113.3R508 V509 L510 G526 K527 M528 L529 Y545 L572 Y574 P578 W663R508-Y576 HydrophobicContact CB-CE1 3.87Å; R508-Y576 HydrophobicContact CB-CE2 4.5Å; R508-Y576 WeakPolarHBondContact CD-O 3.42Å; R508-Y576 HydrophobicContact CG-CE2 4.4Å; R508-Y576 PolarHBondContact NE-O 3.27Å; V509-Y576 PolarHBondContact N-OH 2.79Å; L510-Y576 HydrophobicContact CB-CD1 4.29Å; L510-Y576 HydrophobicContact CB-CE1 4.44Å; G526-Y576 WeakPolarHBondContact O-CE2 3.34Å; G526-Y576 PolarHBondContact O-OH 3.33Å; K527-Y576 PolarHBondContact O-OH 3.47Å; M528-Y576 WeakPolarHBondContact CA-OH 3.19Å; M528-Y576 PolarHBondContact N-OH 2.89Å; M528-Y576 VanDerWaalsContact N-OH 3.14Å; L529-Y576 HydrophobicContact CB-CD1 3.82Å; L529-Y576 HydrophobicContact CB-CD2 3.98Å; L529-Y576 HydrophobicContact CB-CE1 3.69Å; L529-Y576 HydrophobicContact CB-CE2 3.84Å; L529-Y576 HydrophobicContact CB-CG 3.97Å; L529-Y576 HydrophobicContact CD2-CD1 4Å; L529-Y576 HydrophobicContact CD2-CD2 4.06Å; L529-Y576 HydrophobicContact CD2-CG 3.64Å; L529-Y576 HydrophobicContact CG-CG 4.46Å; L529-Y576 PolarHBondContact N-OH 3.42Å; Y545-Y576 HydrophobicContact CE1-CE2 4.47Å; L572-Y576 WeakPolarHBondContact O-CB 3.45Å; L572-Y576 PolarHBondContact O-N 2.87Å; Y574-Y576 VanDerWaalsContact C-N 3.31Å; Y574-Y576 PolarHBondContact O-N 3.49Å; Y576-P578 HydrophobicContact CD1-CB 3.92Å; Y576-P578 HydrophobicContact CD1-CG 4.45Å; Y576-P578 HydrophobicContact CE1-CB 4.1Å; Y576-W663 AromaticContact CD2-CH2 3.72Å; Y576-W663 HydrophobicContact CD2-CH2 3.72Å; Y576-W663 HydrophobicContact CD2-CZ3 4.09Å; Y576-W663 HydrophobicContact CG-CH2 4.39Å
577D93.6Very high93.7Very high29 Ų299.1 Ų9.116%0.1555%0.053CC..  trans46.668.4-178.917837.5000112.1R508 G573 Y574R508-D577 VanDerWaalsContact CZ-O 3.3Å; R508-D577 PolarHBondContact NE-O 2.81Å; R508-D577 PolarHBondContact NH2-O 3.02Å; R508-D577 IonicContact NH2-OD2 3.8Å; R508-D577 PolarHBondContact NH2-OD2 3.41Å; G573-D577 PolarHBondContact O-N 3.38Å; Y574-D577 PolarHBondContact O-N 3.11Å
578P92.9Very high93.4Very high1 Ų112.4 Ų12.41%0.0069%0.086CC..  trans-70.4149.2-176.129.9-35.6000111.9L510 G573 Y576 V581 F606 A607L510-P578 HydrophobicContact CB-CB 3.7Å; L510-P578 HydrophobicContact CB-CG 3.85Å; L510-P578 HydrophobicContact CD2-CG 4.29Å; G573-P578 WeakPolarHBondContact O-CD 3.33Å; Y576-P578 HydrophobicContact CD1-CB 3.92Å; Y576-P578 HydrophobicContact CD1-CG 4.45Å; Y576-P578 HydrophobicContact CE1-CB 4.1Å; P578-V581 HydrophobicContact CG-CG2 4.21Å; P578-F606 HydrophobicContact CG-CB 3.85Å; P578-F606 HydrophobicContact CG-CG 4.34Å; P578-A607 VanDerWaalsContact O-CA 3.25Å; P578-A607 WeakPolarHBondContact O-CA 3.2Å; P578-A607 VanDerWaalsContact O-CB 3.31Å; P578-A607 WeakPolarHBondContact O-CB 3.48Å; P578-A607 PolarHBondContact O-N 3.13Å
579G91.3Very high93Very high20 Ų2012.8 Ų12.821%0.2069%0.089CC..SBendtrans-88.5-13.3168.200000113.6R508R508-G579 PolarHBondContact O-N 2.77Å
580L92.3Very high92.6Very high4 Ų415.2 Ų15.22%0.02112%0.115CC..EExtended strand (participates in β ladder)trans-150.2138.6173.6177.869.1000109.4I472 M475 V506 R508 V509 L510 H610I472-L580 HydrophobicContact CG2-CD2 4.32Å; M475-L580 HydrophobicContact CE-CD1 3.59Å; V506-L580 HydrophobicContact CG1-CB 4.04Å; R508-L580 PolarHBondContact O-N 2.72Å; V509-L580 WeakPolarHBondContact CA-O 3.19Å; V509-L580 HydrophobicContact CG1-CB 4.39Å; V509-L580 HydrophobicContact CG1-CD2 4.3Å; V509-L580 HydrophobicContact CG1-CG 4.45Å; V509-L580 HydrophobicContact CG2-CB 4.16Å; V509-L580 HydrophobicContact CG2-CD2 4.42Å; L510-L580 PolarHBondContact N-O 2.8Å; L580-H610 HydrophobicContact CD1-CB 4.31Å
581V95.2Very high92.3Very high0 Ų015.3 Ų15.30%012%0.115CC..EExtended strand (participates in β ladder)trans-104.4120.8167.8-178.50000109.3L510 P578 L603 F606 A607 H610 T611 L612L510-V581 HydrophobicContact CD2-CG2 4.47Å; L510-V581 CarbonylContact O-C 3.49Å; L510-V581 WeakPolarHBondContact O-CA 3.47Å; P578-V581 HydrophobicContact CG-CG2 4.21Å; V581-L603 HydrophobicContact CG1-CB 4.37Å; V581-L603 HydrophobicContact CG1-CD1 4.25Å; V581-F606 HydrophobicContact CG2-CB 3.78Å; V581-F606 HydrophobicContact CG2-CD2 4.39Å; V581-A607 HydrophobicContact CG2-CB 4.27Å; V581-H610 PolarHBondContact N-O 3.08Å; V581-T611 HydrophobicContact CB-CG2 4.25Å; V581-T611 HydrophobicContact CG1-CG2 4.22Å; V581-T611 CarbonylContact O-C 3.59Å; V581-T611 WeakPolarHBondContact O-CA 3.36Å; V581-L612 PolarHBondContact O-N 2.91Å
582L94.6Very high92Very high0 Ų017.1 Ų17.10%013%0.134CC..EExtended strand (participates in β ladder)trans-103.6104.8171.2-172.864.6000108.9V494 V497 V509 L510 V511 V512 V584 L612 L614V494-L582 HydrophobicContact CB-CD2 4.49Å; V494-L582 HydrophobicContact CG1-CD2 4.01Å; V494-L582 HydrophobicContact CG2-CD2 4.16Å; V497-L582 HydrophobicContact CB-CD2 4.39Å; V497-L582 HydrophobicContact CG1-CD2 4.08Å; V509-L582 HydrophobicContact CG1-CB 4.32Å; L510-L582 PolarHBondContact O-N 2.85Å; V511-L582 CarbonylContact C-O 3.59Å; V511-L582 WeakPolarHBondContact CA-O 3.3Å; V511-L582 HydrophobicContact CG1-CD2 4.43Å; V511-L582 HydrophobicContact CG2-CB 4.24Å; V511-L582 HydrophobicContact CG2-CD2 4.27Å; V512-L582 PolarHBondContact N-O 3.27Å; L582-V584 HydrophobicContact CD2-CG2 4.43Å; L582-V584 HydrophobicContact CG-CG2 4.02Å; L582-L612 WeakPolarHBondContact CA-O 3.35Å; L582-L612 HydrophobicContact CD1-CB 4Å; L582-L612 HydrophobicContact CD1-CD2 3.69Å; L582-L612 HydrophobicContact CD1-CG 3.76Å; L582-L614 HydrophobicContact CD1-CD1 3.72Å; L582-L614 HydrophobicContact CD1-CD2 4.49Å; L582-L614 HydrophobicContact CD1-CG 3.76Å; L582-L614 HydrophobicContact CD2-CD1 4.29Å; L582-L614 HydrophobicContact CG-CD1 4.27Å
583L95.9Very high91.8Very high0 Ų020.8 Ų20.80%015%0.154CC..EExtended strand (participates in β ladder)trans-100.5122.4-180178.563.4000109.8V512 W596 L599 I600 L603 L612 V613 L614V512-L583 HydrophobicContact CB-CD1 3.78Å; V512-L583 HydrophobicContact CG1-CD1 3.85Å; L583-W596 HydrophobicContact CD1-CH2 3.7Å; L583-W596 HydrophobicContact CD1-CZ3 3.92Å; L583-W596 HydrophobicContact CD2-CH2 3.63Å; L583-W596 HydrophobicContact CD2-CZ2 3.75Å; L583-W596 HydrophobicContact CD2-CZ3 4.13Å; L583-W596 HydrophobicContact CG-CH2 3.41Å; L583-W596 VanDerWaalsContact CG-CH2 3.41Å; L583-W596 HydrophobicContact CG-CZ2 3.9Å; L583-W596 HydrophobicContact CG-CZ3 4.08Å; L583-L599 HydrophobicContact CD1-CD2 3.77Å; L583-L599 HydrophobicContact CD1-CG 4.4Å; L583-L599 HydrophobicContact CD2-CD2 4.48Å; L583-I600 HydrophobicContact CD2-CD1 4.39Å; L583-I600 HydrophobicContact CD2-CG1 3.45Å; L583-I600 VanDerWaalsContact CD2-CG1 3.45Å; L583-L603 HydrophobicContact CD1-CD1 4.1Å; L583-L612 PolarHBondContact N-O 3.2Å; L583-V613 HydrophobicContact CB-CG2 4.36Å; L583-V613 HydrophobicContact CD2-CG2 4.28Å; L583-V613 CarbonylContact O-C 3.55Å; L583-V613 VanDerWaalsContact O-CA 3.26Å; L583-V613 WeakPolarHBondContact O-CA 3.38Å; L583-L614 PolarHBondContact O-N 3.27Å
584V94Very high91.7Very high0 Ų023.3 Ų23.30%017%0.17CC..EExtended strand (participates in β ladder)trans-120.7119.3-168.9-171.90000109.8V490 V494 V511 V512 C513 V514 L582 M586 L614V490-V584 HydrophobicContact CG1-CG1 3.11Å; V494-V584 HydrophobicContact CG2-CG1 4.16Å; V494-V584 HydrophobicContact CG2-CG2 3.69Å; V511-V584 HydrophobicContact CG1-CG2 4.4Å; V512-V584 PolarHBondContact O-N 2.87Å; C513-V584 HydrophobicContact CB-CB 4.39Å; V514-V584 PolarHBondContact N-O 3.36Å; L582-V584 HydrophobicContact CD2-CG2 4.43Å; L582-V584 HydrophobicContact CG-CG2 4.02Å; V584-M586 HydrophobicContact CG1-SD 3.7Å; V584-L614 HydrophobicContact CG1-CB 4.49Å
585R92.7Very high91.5Very high17 Ų1723 Ų236%0.06417%0.169CC..EExtended strand (participates in β ladder)trans-101.4108.5173.9-171175.6171.4112.78.8109.1V591 W596 L614 M615 D619 C622R585-V591 PolarHBondContact NH1-O 2.9Å; R585-V591 PolarHBondContact NH2-O 3.16Å; R585-W596 HydrophobicContact CB-CH2 3.56Å; R585-W596 HydrophobicContact CB-CZ2 3.69Å; R585-W596 HydrophobicContact CB-CZ3 4.23Å; R585-W596 HydrophobicContact CG-CH2 4.22Å; R585-W596 HydrophobicContact CG-CZ2 4.32Å; R585-W596 HydrophobicContact CG-CZ3 4.47Å; R585-L614 PolarHBondContact N-O 3.06Å; R585-M615 HydrophobicContact CB-CG 3.93Å; R585-D619 VanDerWaalsContact CD-OD2 3.32Å; R585-D619 WeakPolarHBondContact CD-OD2 3.47Å; R585-D619 IonicContact CZ-OD2 2.67Å; R585-D619 IonicContact NE-OD2 3.44Å; R585-D619 PolarHBondContact NE-OD2 2.79Å; R585-C622 VanDerWaalsContact CZ-SG 3.51Å; R585-C622 PolarHBondContact NH1-SG 3.44Å
586M88.9Confident91.5Very high1 Ų120.7 Ų20.71%0.00516%0.158CC..  trans-75.9149.9176.5-55.7-54.2-75.800110.5V490 V514 E517 V584 G588 S589V490-M586 HydrophobicContact CB-SD 4.38Å; V490-M586 HydrophobicContact CG1-SD 3.82Å; V514-M586 WeakPolarHBondContact O-CB 3.43Å; V514-M586 PolarHBondContact O-N 2.84Å; E517-M586 HydrophobicContact CB-CE 3.38Å; E517-M586 HydrophobicContact CG-CE 4.33Å; E517-M586 WeakPolarHBondContact OE2-CE 3.34Å; V584-M586 HydrophobicContact CG1-SD 3.7Å; M586-G588 PolarHBondContact O-N 3.46Å; M586-S589 WeakPolarHBondContact O-CB 3.24Å; M586-S589 PolarHBondContact O-N 3.47Å; M586-S589 VanDerWaalsContact O-N 3.15Å; M586-S589 PolarHBondContact O-OG 3.46Å
587P85.3Confident91.6Very high43 Ų4321 Ų2128%0.27916%0.16SC..THydrogen-bonded Turntrans-56138.7173.5-20.529.3000111.5S589 Q616P587-S589 PolarHBondContact O-N 3.12Å; P587-Q616 HydrophobicContact CG-CB 4.05Å
588G84.1Confident91.7Very high73 Ų7319.7 Ų19.775%0.75315%0.153SC*.THydrogen-bonded Turntrans64.320179.600000114M586 G590M586-G588 PolarHBondContact O-N 3.46Å; G588-G590 PolarHBondContact O-N 2.86Å; G588-G590 VanDerWaalsContact O-N 3.14Å
589S85.4Confident91.9Very high10 Ų1019.7 Ų19.77%0.0715%0.153CC..  trans-53.9-29.7176.254.30000113.6V514 C555 M586 P587 V591V514-S589 VanDerWaalsContact O-CB 3.22Å; V514-S589 WeakPolarHBondContact O-CB 3.49Å; C555-S589 WeakPolarHBondContact CB-O 3.24Å; M586-S589 WeakPolarHBondContact O-CB 3.24Å; M586-S589 PolarHBondContact O-N 3.47Å; M586-S589 VanDerWaalsContact O-N 3.15Å; M586-S589 PolarHBondContact O-OG 3.46Å; P587-S589 PolarHBondContact O-N 3.12Å; S589-V591 PolarHBondContact O-N 2.84Å
590G87.4Confident92.2Very high52 Ų5218.7 Ų18.754%0.53614%0.143SC..  trans75.61.517900000114.4G556 G588 G592G556-G590 WeakPolarHBondContact CA-O 3.46Å; G588-G590 PolarHBondContact O-N 2.86Å; G588-G590 VanDerWaalsContact O-N 3.14Å; G590-G592 PolarHBondContact O-N 3.02Å
591V90.2Very high92.4Very high3 Ų319 Ų192%0.01815%0.148CC..  trans-71.5127.7176.168.30000110.4V514 C555 F561 R585 S589 M595 W596V514-V591 HydrophobicContact CG1-CB 4.07Å; V514-V591 HydrophobicContact CG1-CG1 4.03Å; C555-V591 HydrophobicContact CB-CB 4.4Å; F561-V591 HydrophobicContact CE2-CG2 4.33Å; R585-V591 PolarHBondContact NH1-O 2.9Å; R585-V591 PolarHBondContact NH2-O 3.16Å; S589-V591 PolarHBondContact O-N 2.84Å; V591-M595 HydrophobicContact CG2-CB 4.09Å; V591-M595 HydrophobicContact CG2-CG 3.98Å; V591-W596 HydrophobicContact CG1-CE3 3.93Å
592G90.8Very high92.4Very high38 Ų3819.1 Ų19.139%0.39215%0.148SC..  trans-71.2154.7179.100000112.9G590 C594 M595 W596G590-G592 PolarHBondContact O-N 3.02Å; G592-C594 PolarHBondContact O-N 3.14Å; G592-M595 PolarHBondContact O-N 2.84Å; G592-W596 WeakPolarHBondContact O-CB 3.24Å; G592-W596 PolarHBondContact O-N 3.2Å
593D92.1Very high92.5Very high77 Ų7719.1 Ų19.141%0.41215%0.148SC..Hα-helixtrans-59.3-43.7-174.9-65.8-11000113M595 W596 Q597 P625D593-M595 PolarHBondContact O-N 3.36Å; D593-W596 WeakPolarHBondContact O-CB 3.44Å; D593-W596 PolarHBondContact O-N 3.38Å; D593-Q597 WeakPolarHBondContact O-CG 3.27Å; D593-Q597 PolarHBondContact O-N 2.95Å; D593-P625 HydrophobicContact CB-CB 4.21Å; D593-P625 HydrophobicContact CB-CG 4.04Å
594C92.9Very high92.4Very high52 Ų5220.8 Ų20.835%0.35116%0.155SC..Hα-helixtrans-61.9-46.3178.5-59.10000111.6G592 W596 Q597 Q598 P636 L638G592-C594 PolarHBondContact O-N 3.14Å; C594-W596 VanDerWaalsContact C-N 3.3Å; C594-W596 PolarHBondContact O-N 2.96Å; C594-Q597 PolarHBondContact O-N 2.84Å; C594-Q598 WeakPolarHBondContact O-CB 3.39Å; C594-Q598 VanDerWaalsContact O-CG 3.24Å; C594-Q598 WeakPolarHBondContact O-CG 3.2Å; C594-Q598 PolarHBondContact O-N 2.69Å; C594-P636 HydrophobicContact CB-CB 4.45Å; C594-L638 HydrophobicContact CB-CD2 4.07Å
595M93.4Very high92.4Very high4 Ų421 Ų212%0.0216%0.157CC..Hα-helixtrans-63.6-38.2177.3-175.462.9-111.900111.4T558 F561 I562 V565 V591 G592 D593 Q598 L599 L638T558-M595 HydrophobicContact CG2-SD 4.13Å; F561-M595 HydrophobicContact CB-CG 4.48Å; F561-M595 HydrophobicContact CB-SD 4.46Å; F561-M595 HydrophobicContact CD1-CE 3.61Å; F561-M595 HydrophobicContact CD1-CG 3.82Å; F561-M595 HydrophobicContact CD1-SD 3.84Å; F561-M595 HydrophobicContact CE1-CE 3.93Å; F561-M595 HydrophobicContact CE1-CG 4.32Å; F561-M595 HydrophobicContact CG-CG 4.16Å; F561-M595 HydrophobicContact CG-SD 4.43Å; I562-M595 HydrophobicContact CB-SD 4.36Å; I562-M595 HydrophobicContact CD1-CE 3.6Å; I562-M595 HydrophobicContact CD1-SD 4.08Å; V565-M595 HydrophobicContact CG2-CE 4.41Å; V591-M595 HydrophobicContact CG2-CB 4.09Å; V591-M595 HydrophobicContact CG2-CG 3.98Å; G592-M595 PolarHBondContact O-N 2.84Å; D593-M595 PolarHBondContact O-N 3.36Å; M595-Q598 HydrophobicContact CE-CB 4.16Å; M595-Q598 PolarHBondContact O-N 3.21Å; M595-L599 HydrophobicContact CE-CB 4.33Å; M595-L599 WeakPolarHBondContact O-CB 3.25Å; M595-L599 PolarHBondContact O-N 2.9Å; M595-L638 HydrophobicContact CB-CD2 4.19Å; M595-L638 HydrophobicContact SD-CD1 3.87Å; M595-L638 HydrophobicContact SD-CD2 4.28Å
596W95.3Very high92.5Very high0 Ų020.6 Ų20.60%016%0.156CC..Hα-helixtrans-63.2-44.1175.1-174.3-114.5000112.6V514 L583 R585 V591 G592 D593 C594 L599 I600 V613 T626V514-W596 HydrophobicContact CB-CZ3 4.23Å; V514-W596 HydrophobicContact CG2-CZ3 3.93Å; L583-W596 HydrophobicContact CD1-CH2 3.7Å; L583-W596 HydrophobicContact CD1-CZ3 3.92Å; L583-W596 HydrophobicContact CD2-CH2 3.63Å; L583-W596 HydrophobicContact CD2-CZ2 3.75Å; L583-W596 HydrophobicContact CD2-CZ3 4.13Å; L583-W596 HydrophobicContact CG-CH2 3.41Å; L583-W596 VanDerWaalsContact CG-CH2 3.41Å; L583-W596 HydrophobicContact CG-CZ2 3.9Å; L583-W596 HydrophobicContact CG-CZ3 4.08Å; R585-W596 HydrophobicContact CB-CH2 3.56Å; R585-W596 HydrophobicContact CB-CZ2 3.69Å; R585-W596 HydrophobicContact CB-CZ3 4.23Å; R585-W596 HydrophobicContact CG-CH2 4.22Å; R585-W596 HydrophobicContact CG-CZ2 4.32Å; R585-W596 HydrophobicContact CG-CZ3 4.47Å; V591-W596 HydrophobicContact CG1-CE3 3.93Å; G592-W596 WeakPolarHBondContact O-CB 3.24Å; G592-W596 PolarHBondContact O-N 3.2Å; D593-W596 WeakPolarHBondContact O-CB 3.44Å; D593-W596 PolarHBondContact O-N 3.38Å; C594-W596 VanDerWaalsContact C-N 3.3Å; C594-W596 PolarHBondContact O-N 2.96Å; W596-L599 HydrophobicContact CE3-CD2 4.12Å; W596-L599 HydrophobicContact CZ3-CD2 3.98Å; W596-L599 PolarHBondContact O-N 3.1Å; W596-I600 HydrophobicContact CG-CD1 4.42Å; W596-I600 WeakPolarHBondContact O-CG1 3.23Å; W596-I600 PolarHBondContact O-N 3.37Å; W596-V613 HydrophobicContact CZ2-CG1 3.8Å; W596-T626 PolarHBondContact NE1-OG1 2.98Å
597Q95.8Very high92.7Very high17 Ų1720.8 Ų20.88%0.07916%0.157CC..Hα-helixtrans-65.9-39.8176.1-69.5-177.7-70.500112.3D593 C594 I600 G601 P625 A629 A635D593-Q597 WeakPolarHBondContact O-CG 3.27Å; D593-Q597 PolarHBondContact O-N 2.95Å; C594-Q597 PolarHBondContact O-N 2.84Å; Q597-I600 PolarHBondContact O-N 2.6Å; Q597-G601 PolarHBondContact O-N 3.16Å; Q597-P625 HydrophobicContact CG-CB 3.84Å; Q597-P625 WeakPolarHBondContact CG-O 3.5Å; Q597-P625 PolarHBondContact NE2-O 3.32Å; Q597-A629 HydrophobicContact CB-CB 4.23Å; Q597-A629 HydrophobicContact CG-CB 4.24Å; Q597-A635 HydrophobicContact CB-CB 3.98Å
598Q95.8Very high93Very high2 Ų223.1 Ų23.11%0.00916%0.163CC..Hα-helixtrans-60.9-44.9173.9-72.8-69.2-10.300111.1Y251 N291 C594 M595 G601 L602 A635 P636 L638Y251-Q598 PolarHBondContact OH-OE1 2.83Å; N291-Q598 PolarHBondContact O-NE2 3.43Å; N291-Q598 VanDerWaalsContact O-NE2 3.13Å; N291-Q598 PolarHBondContact O-OE1 3.23Å; C594-Q598 WeakPolarHBondContact O-CB 3.39Å; C594-Q598 VanDerWaalsContact O-CG 3.24Å; C594-Q598 WeakPolarHBondContact O-CG 3.2Å; C594-Q598 PolarHBondContact O-N 2.69Å; M595-Q598 HydrophobicContact CE-CB 4.16Å; M595-Q598 PolarHBondContact O-N 3.21Å; Q598-G601 PolarHBondContact O-N 2.96Å; Q598-L602 WeakPolarHBondContact O-CB 3.34Å; Q598-L602 VanDerWaalsContact O-CG 3.3Å; Q598-L602 WeakPolarHBondContact O-CG 3.48Å; Q598-L602 PolarHBondContact O-N 3.49Å; Q598-A635 HydrophobicContact CB-CB 4.46Å; Q598-A635 VanDerWaalsContact CD-CB 3.45Å; Q598-A635 HydrophobicContact CG-CB 3.87Å; Q598-P636 PolarHBondContact NE2-O 3.02Å; Q598-L638 HydrophobicContact CB-CD2 4.49Å; Q598-L638 HydrophobicContact CG-CD1 4.45Å; Q598-L638 HydrophobicContact CG-CD2 3.78Å; Q598-L638 HydrophobicContact CG-CG 3.99Å
599L97Very high93.4Very high0 Ų020 Ų200%013%0.131CC..Hα-helixtrans-59.9-49.2176.2-178.664000111.8V514 F561 V565 L569 L583 M595 W596 G601 L602 L603V514-L599 HydrophobicContact CG2-CD2 4.21Å; F561-L599 HydrophobicContact CE1-CD1 4.37Å; F561-L599 HydrophobicContact CE1-CD2 4.02Å; F561-L599 HydrophobicContact CZ-CD2 3.98Å; V565-L599 HydrophobicContact CG2-CD1 3.91Å; L569-L599 HydrophobicContact CD2-CD1 3.7Å; L583-L599 HydrophobicContact CD1-CD2 3.77Å; L583-L599 HydrophobicContact CD1-CG 4.4Å; L583-L599 HydrophobicContact CD2-CD2 4.48Å; M595-L599 HydrophobicContact CE-CB 4.33Å; M595-L599 WeakPolarHBondContact O-CB 3.25Å; M595-L599 PolarHBondContact O-N 2.9Å; W596-L599 HydrophobicContact CE3-CD2 4.12Å; W596-L599 HydrophobicContact CZ3-CD2 3.98Å; W596-L599 PolarHBondContact O-N 3.1Å; L599-G601 VanDerWaalsContact C-N 3.33Å; L599-G601 PolarHBondContact O-N 3.3Å; L599-L602 PolarHBondContact O-N 2.88Å; L599-L603 HydrophobicContact CD1-CD1 3.81Å; L599-L603 HydrophobicContact CD1-CG 3.98Å; L599-L603 HydrophobicContact CG-CD1 3.93Å; L599-L603 HydrophobicContact CG-CG 4.37Å; L599-L603 WeakPolarHBondContact O-CB 3.33Å; L599-L603 VanDerWaalsContact O-CG 3.28Å; L599-L603 WeakPolarHBondContact O-CG 3.35Å; L599-L603 PolarHBondContact O-N 2.97Å
600I97.3Very high93.8Very high0 Ų020.4 Ų20.40%013%0.132CC..Hα-helixtrans-58.7-47.3176.3-67.6164.5000110.4L583 W596 Q597 L602 L603 K604 V613 T626 A629 L630L583-I600 HydrophobicContact CD2-CD1 4.39Å; L583-I600 HydrophobicContact CD2-CG1 3.45Å; L583-I600 VanDerWaalsContact CD2-CG1 3.45Å; W596-I600 HydrophobicContact CG-CD1 4.42Å; W596-I600 WeakPolarHBondContact O-CG1 3.23Å; W596-I600 PolarHBondContact O-N 3.37Å; Q597-I600 PolarHBondContact O-N 2.6Å; I600-L602 VanDerWaalsContact C-N 3.33Å; I600-L602 PolarHBondContact O-N 3.26Å; I600-L603 PolarHBondContact O-N 3.33Å; I600-K604 HydrophobicContact CG2-CD 4.13Å; I600-K604 HydrophobicContact CG2-CG 4.38Å; I600-K604 VanDerWaalsContact O-CG 3.32Å; I600-K604 WeakPolarHBondContact O-CG 3.49Å; I600-K604 PolarHBondContact O-N 2.97Å; I600-V613 HydrophobicContact CD1-CG2 4.44Å; I600-T626 HydrophobicContact CD1-CG2 4.05Å; I600-A629 HydrophobicContact CB-CB 3.78Å; I600-A629 HydrophobicContact CD1-CB 4.07Å; I600-A629 HydrophobicContact CG2-CB 3.59Å; I600-L630 HydrophobicContact CG2-CD2 3.94Å; I600-L630 HydrophobicContact CG2-CG 4.32Å
601G95.9Very high94.2Very high11 Ų1118 Ų1811%0.11311%0.106CC..Hα-helixtrans-58.3-43.5-179.200000112.6H287 N291 Q597 Q598 L599H287-G601 PolarHBondContact CE1-O 3.07Å; H287-G601 PolarHBondContact NE2-O 3.43Å; N291-G601 VanDerWaalsContact OD1-C 3.26Å; N291-G601 VanDerWaalsContact OD1-CA 3.27Å; N291-G601 WeakPolarHBondContact OD1-CA 3.21Å; Q597-G601 PolarHBondContact O-N 3.16Å; Q598-G601 PolarHBondContact O-N 2.96Å; L599-G601 VanDerWaalsContact C-N 3.33Å; L599-G601 PolarHBondContact O-N 3.3Å
602L96.7Very high94.4Very high2 Ų217.8 Ų17.81%0.0111%0.105CC..Hα-helixtrans-66.6-50.7175.5-70.8168.7000111.9H287 L288 N291 V565 F566 L570 Q598 L599 I600 K604 G605H287-L602 PolarHBondContact NE2-O 3.12Å; L288-L602 HydrophobicContact CD2-CD2 4.07Å; N291-L602 HydrophobicContact CB-CD2 4.22Å; V565-L602 HydrophobicContact CG1-CD1 3.83Å; F566-L602 HydrophobicContact CE1-CD1 3.83Å; F566-L602 HydrophobicContact CZ-CD1 4.45Å; L570-L602 HydrophobicContact CD1-CD2 4.33Å; L570-L602 HydrophobicContact CD2-CB 4.31Å; Q598-L602 WeakPolarHBondContact O-CB 3.34Å; Q598-L602 VanDerWaalsContact O-CG 3.3Å; Q598-L602 WeakPolarHBondContact O-CG 3.48Å; Q598-L602 PolarHBondContact O-N 3.49Å; L599-L602 PolarHBondContact O-N 2.88Å; I600-L602 VanDerWaalsContact C-N 3.33Å; I600-L602 PolarHBondContact O-N 3.26Å; L602-K604 VanDerWaalsContact C-N 3.26Å; L602-K604 PolarHBondContact O-N 3.35Å; L602-G605 PolarHBondContact O-N 2.85Å
603L96.4Very high94.7Very high0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-67.7-21.3-175.4-66.7-176.3000114.3V512 L569 L570 V581 L583 L599 I600 G605 F606V512-L603 HydrophobicContact CB-CD1 4.36Å; V512-L603 HydrophobicContact CG1-CD1 4.49Å; V512-L603 HydrophobicContact CG2-CD1 3.99Å; L569-L603 HydrophobicContact CD2-CD1 4.42Å; L569-L603 HydrophobicContact CD2-CD2 3.96Å; L569-L603 HydrophobicContact CG-CD2 4.11Å; L570-L603 HydrophobicContact CD2-CD2 4.44Å; V581-L603 HydrophobicContact CG1-CB 4.37Å; V581-L603 HydrophobicContact CG1-CD1 4.25Å; L583-L603 HydrophobicContact CD1-CD1 4.1Å; L599-L603 HydrophobicContact CD1-CD1 3.81Å; L599-L603 HydrophobicContact CD1-CG 3.98Å; L599-L603 HydrophobicContact CG-CD1 3.93Å; L599-L603 HydrophobicContact CG-CG 4.37Å; L599-L603 WeakPolarHBondContact O-CB 3.33Å; L599-L603 VanDerWaalsContact O-CG 3.28Å; L599-L603 WeakPolarHBondContact O-CG 3.35Å; L599-L603 PolarHBondContact O-N 2.97Å; I600-L603 PolarHBondContact O-N 3.33Å; L603-G605 PolarHBondContact O-N 3.2Å; L603-G605 VanDerWaalsContact O-N 3.1Å; L603-F606 HydrophobicContact CD2-CD2 3.85Å; L603-F606 HydrophobicContact CD2-CE2 3.57Å; L603-F606 WeakPolarHBondContact O-CB 3.19Å; L603-F606 PolarHBondContact O-N 3.46Å
604K93.8Very high94.8Very high35 Ų3512.3 Ų12.315%0.1527%0.067CC..THydrogen-bonded Turntrans-61.8-11.9169.4-80.5178.663175.10113.7I600 L602 F606 G609 A629 L630I600-K604 HydrophobicContact CG2-CD 4.13Å; I600-K604 HydrophobicContact CG2-CG 4.38Å; I600-K604 VanDerWaalsContact O-CG 3.32Å; I600-K604 WeakPolarHBondContact O-CG 3.49Å; I600-K604 PolarHBondContact O-N 2.97Å; L602-K604 VanDerWaalsContact C-N 3.26Å; L602-K604 PolarHBondContact O-N 3.35Å; K604-F606 PolarHBondContact O-N 3.49Å; K604-G609 WeakPolarHBondContact O-CA 3.34Å; K604-G609 PolarHBondContact O-N 3.23Å; K604-A629 PolarHBondContact NZ-O 3.39Å; K604-L630 PolarHBondContact NZ-O 3.16Å
605G93Very high94.7Very high3 Ų39.9 Ų9.93%0.0315%0.05CC..THydrogen-bonded Turntrans-71.7-11.8171.400000113.8H287 L326 L602 L603H287-G605 WeakPolarHBondContact NE2-CA 3.5Å; H287-G605 PolarHBondContact NE2-N 2.84Å; L326-G605 VanDerWaalsContact CD1-CA 3.46Å; L602-G605 PolarHBondContact O-N 2.85Å; L603-G605 PolarHBondContact O-N 3.2Å; L603-G605 VanDerWaalsContact O-N 3.1Å
606F94.4Very high94.5Very high10 Ų1011.5 Ų11.54%0.0446%0.058CC..SBendtrans-99.4164.7176.5-56.4-45.9000112.1L510 L570 Y574 P578 V581 L603 K604 K608 G609L510-F606 HydrophobicContact CD2-CD2 4.09Å; L510-F606 HydrophobicContact CD2-CE2 4.3Å; L570-F606 HydrophobicContact CD2-CE2 3.96Å; L570-F606 HydrophobicContact CD2-CZ 3.79Å; Y574-F606 AromaticContact CD1-CE1 3.92Å; Y574-F606 HydrophobicContact CD1-CE1 3.92Å; Y574-F606 AromaticContact CD2-CE1 3.63Å; Y574-F606 HydrophobicContact CD2-CE1 3.63Å; Y574-F606 AromaticContact CD2-CZ 3.96Å; Y574-F606 HydrophobicContact CD2-CZ 3.96Å; Y574-F606 HydrophobicContact CE1-CE1 4.09Å; Y574-F606 AromaticContact CE2-CE1 3.77Å; Y574-F606 HydrophobicContact CE2-CE1 3.77Å; Y574-F606 HydrophobicContact CE2-CZ 4.13Å; Y574-F606 AromaticContact CG-CE1 3.69Å; Y574-F606 HydrophobicContact CG-CE1 3.69Å; Y574-F606 HydrophobicContact CG-CZ 4.38Å; P578-F606 HydrophobicContact CG-CB 3.85Å; P578-F606 HydrophobicContact CG-CG 4.34Å; V581-F606 HydrophobicContact CG2-CB 3.78Å; V581-F606 HydrophobicContact CG2-CD2 4.39Å; L603-F606 HydrophobicContact CD2-CD2 3.85Å; L603-F606 HydrophobicContact CD2-CE2 3.57Å; L603-F606 WeakPolarHBondContact O-CB 3.19Å; L603-F606 PolarHBondContact O-N 3.46Å; K604-F606 PolarHBondContact O-N 3.49Å; F606-K608 PolarHBondContact O-N 3.28Å; F606-G609 PolarHBondContact O-N 3.36Å
607A92.9Very high93.9Very high4 Ų414.5 Ų14.53%0.0338%0.076CC..G310 helixtrans51.631.1171.200000114P578 V581 G609 H610P578-A607 VanDerWaalsContact O-CA 3.25Å; P578-A607 WeakPolarHBondContact O-CA 3.2Å; P578-A607 VanDerWaalsContact O-CB 3.31Å; P578-A607 WeakPolarHBondContact O-CB 3.48Å; P578-A607 PolarHBondContact O-N 3.13Å; V581-A607 HydrophobicContact CG2-CB 4.27Å; A607-G609 PolarHBondContact O-N 3.46Å; A607-G609 VanDerWaalsContact O-N 3.12Å; A607-H610 HydrophobicContact CB-CB 4.12Å; A607-H610 WeakPolarHBondContact O-CB 3.39Å; A607-H610 VanDerWaalsContact O-CG 3.22Å; A607-H610 PolarHBondContact O-N 2.98Å; A607-H610 PolarHBondContact O-ND1 3.09Å
608K92.4Very high93Very high93 Ų9319.2 Ų19.240%0.40410%0.102SC..G310 helixtrans53.532.6-174.2-52178.7-176.8174.10112.7P325 Q328 F606 H610P325-K608 HydrophobicContact CB-CB 4.26Å; P325-K608 WeakPolarHBondContact CB-O 3.26Å; Q328-K608 HydrophobicContact CG-CG 4.22Å; Q328-K608 VanDerWaalsContact OE1-CE 3.24Å; F606-K608 PolarHBondContact O-N 3.28Å; K608-H610 VanDerWaalsContact C-N 3.29Å; K608-H610 PolarHBondContact O-N 3.05Å
609G91.9Very high91.9Very high7 Ų720.6 Ų20.67%0.07211%0.11CC..G310 helixtrans77.76.8-176.800000115.1K604 F606 A607 T611K604-G609 WeakPolarHBondContact O-CA 3.34Å; K604-G609 PolarHBondContact O-N 3.23Å; F606-G609 PolarHBondContact O-N 3.36Å; A607-G609 PolarHBondContact O-N 3.46Å; A607-G609 VanDerWaalsContact O-N 3.12Å; G609-T611 VanDerWaalsContact C-N 3.28Å; G609-T611 PolarHBondContact O-N 3.26Å
610H94.3Very high90.5Very high19 Ų1922.3 Ų22.39%0.08813%0.127CC..  trans-69.185.2172.3-61.5161.5000110.3M475 N478 G481 L580 V581 A607 K608M475-H610 VanDerWaalsContact CE-C 3.5Å; M475-H610 HydrophobicContact CE-CB 3.84Å; M475-H610 PolarHBondContact O-CE1 3.16Å; M475-H610 PolarHBondContact O-NE2 2.66Å; N478-H610 PolarHBondContact OD1-NE2 3.15Å; N478-H610 VanDerWaalsContact OD1-NE2 3.11Å; G481-H610 VanDerWaalsContact O-CA 3.3Å; G481-H610 WeakPolarHBondContact O-CA 3.43Å; G481-H610 PolarHBondContact O-CD2 3.03Å; G481-H610 VanDerWaalsContact O-CD2 3.27Å; L580-H610 HydrophobicContact CD1-CB 4.31Å; V581-H610 PolarHBondContact N-O 3.08Å; A607-H610 HydrophobicContact CB-CB 4.12Å; A607-H610 WeakPolarHBondContact O-CB 3.39Å; A607-H610 VanDerWaalsContact O-CG 3.22Å; A607-H610 PolarHBondContact O-N 2.98Å; A607-H610 PolarHBondContact O-ND1 3.09Å; K608-H610 VanDerWaalsContact C-N 3.29Å; K608-H610 PolarHBondContact O-N 3.05Å
611T95.4Very high89.5Confident0 Ų026.7 Ų26.70%016%0.164CC..EExtended strand (participates in β ladder)trans-119.2126.3179.8-53.20000110.3N482 G483 V581 G609 V613 L630N482-T611 WeakPolarHBondContact CA-O 3.33Å; N482-T611 WeakPolarHBondContact CB-O 3.15Å; G483-T611 PolarHBondContact N-O 2.97Å; V581-T611 HydrophobicContact CB-CG2 4.25Å; V581-T611 HydrophobicContact CG1-CG2 4.22Å; V581-T611 CarbonylContact O-C 3.59Å; V581-T611 WeakPolarHBondContact O-CA 3.36Å; G609-T611 VanDerWaalsContact C-N 3.28Å; G609-T611 PolarHBondContact O-N 3.26Å; T611-V613 HydrophobicContact CG2-CG2 4.4Å; T611-L630 HydrophobicContact CG2-CD2 4.49Å
612L95.6Very high88.9Confident0 Ų026.3 Ų26.30%016%0.159CC..EExtended strand (participates in β ladder)trans-111.2121.5172.9173.658.8000108.8L468 L471 I472 M475 G483 V581 L582 L583 L614L468-L612 HydrophobicContact CD1-CD1 3.95Å; L468-L612 HydrophobicContact CD1-CD2 3.67Å; L468-L612 HydrophobicContact CD1-CG 4.35Å; L468-L612 HydrophobicContact CG-CD2 4.4Å; L471-L612 HydrophobicContact CD2-CD1 3.67Å; I472-L612 HydrophobicContact CD1-CD2 3.85Å; I472-L612 HydrophobicContact CG1-CD2 3.77Å; M475-L612 HydrophobicContact CE-CB 4.46Å; G483-L612 WeakPolarHBondContact O-CA 3.44Å; V581-L612 PolarHBondContact O-N 2.91Å; L582-L612 WeakPolarHBondContact CA-O 3.35Å; L582-L612 HydrophobicContact CD1-CB 4Å; L582-L612 HydrophobicContact CD1-CD2 3.69Å; L582-L612 HydrophobicContact CD1-CG 3.76Å; L583-L612 PolarHBondContact N-O 3.2Å; L612-L614 HydrophobicContact CD1-CD2 4.34Å; L612-L614 HydrophobicContact CD2-CD2 4.32Å; L612-L614 HydrophobicContact CG-CD2 4.14Å
613V96.2Very high88.5Confident0 Ų026.9 Ų26.90%016%0.162CC..EExtended strand (participates in β ladder)trans-98.5123.7176.4-176.70000109.9G483 V484 A485 L583 W596 I600 T611 M615 T626 L630G483-V613 PolarHBondContact O-N 2.68Å; V484-V613 CarbonylContact C-O 3.57Å; V484-V613 VanDerWaalsContact CA-O 3.29Å; V484-V613 WeakPolarHBondContact CA-O 3.46Å; V484-V613 HydrophobicContact CB-CB 4.23Å; V484-V613 HydrophobicContact CG2-CB 4.13Å; V484-V613 HydrophobicContact CG2-CG1 4.29Å; A485-V613 PolarHBondContact N-O 2.71Å; L583-V613 HydrophobicContact CB-CG2 4.36Å; L583-V613 HydrophobicContact CD2-CG2 4.28Å; L583-V613 CarbonylContact O-C 3.55Å; L583-V613 VanDerWaalsContact O-CA 3.26Å; L583-V613 WeakPolarHBondContact O-CA 3.38Å; W596-V613 HydrophobicContact CZ2-CG1 3.8Å; I600-V613 HydrophobicContact CD1-CG2 4.44Å; T611-V613 HydrophobicContact CG2-CG2 4.4Å; V613-M615 HydrophobicContact CG1-CG 4.19Å; V613-M615 HydrophobicContact CG1-SD 4.34Å; V613-T626 HydrophobicContact CB-CG2 4.02Å; V613-T626 HydrophobicContact CG1-CG2 3.77Å; V613-T626 HydrophobicContact CG2-CG2 4.1Å; V613-L630 HydrophobicContact CG2-CD1 4.05Å; V613-L630 HydrophobicContact CG2-CD2 4.06Å; V613-L630 HydrophobicContact CG2-CG 4.34Å
614L93.8Very high88.3Confident0 Ų028.9 Ų28.90%018%0.183CC..EExtended strand (participates in β ladder)trans-106.2131173.4-60.5-175.2000110.5L468 A485 V490 A493 V494 L582 L583 V584 R585 L612L468-L614 HydrophobicContact CD1-CD2 3.94Å; L468-L614 HydrophobicContact CD2-CD2 4.19Å; A485-L614 HydrophobicContact CB-CD2 3.81Å; V490-L614 HydrophobicContact CG1-CB 4.33Å; A493-L614 HydrophobicContact CB-CD1 3.96Å; V494-L614 HydrophobicContact CG2-CD1 3.78Å; L582-L614 HydrophobicContact CD1-CD1 3.72Å; L582-L614 HydrophobicContact CD1-CD2 4.49Å; L582-L614 HydrophobicContact CD1-CG 3.76Å; L582-L614 HydrophobicContact CD2-CD1 4.29Å; L582-L614 HydrophobicContact CG-CD1 4.27Å; L583-L614 PolarHBondContact O-N 3.27Å; V584-L614 HydrophobicContact CG1-CB 4.49Å; R585-L614 PolarHBondContact N-O 3.06Å; L612-L614 HydrophobicContact CD1-CD2 4.34Å; L612-L614 HydrophobicContact CD2-CD2 4.32Å; L612-L614 HydrophobicContact CG-CD2 4.14Å
615M91.9Very high88.2Confident0 Ų028.4 Ų28.40%018%0.183CC..EExtended strand (participates in β ladder)trans-139.4148178.4-74.3173.861.500109.3V484 A485 L486 V487 R585 V613 D619 C622 M623 T626V484-M615 HydrophobicContact CG2-SD 4.44Å; A485-M615 PolarHBondContact O-N 3.18Å; L486-M615 CarbonylContact C-O 3.59Å; L486-M615 VanDerWaalsContact CA-O 3.32Å; L486-M615 WeakPolarHBondContact CA-O 3.47Å; L486-M615 HydrophobicContact CD2-CB 3.73Å; V487-M615 WeakPolarHBondContact CG2-O 3.43Å; V487-M615 PolarHBondContact N-O 3.36Å; R585-M615 HydrophobicContact CB-CG 3.93Å; V613-M615 HydrophobicContact CG1-CG 4.19Å; V613-M615 HydrophobicContact CG1-SD 4.34Å; M615-D619 HydrophobicContact CE-CB 4.24Å; M615-D619 WeakPolarHBondContact CE-O 3.49Å; M615-C622 HydrophobicContact CE-CB 3.59Å; M615-M623 HydrophobicContact CE-SD 4.27Å; M615-M623 HydrophobicContact SD-SD 4.13Å; M615-T626 HydrophobicContact SD-CG2 4.39Å
616Q88.6Confident88.3Confident39 Ų3928.2 Ų28.218%0.18218%0.181CC..EExtended strand (participates in β ladder)trans-78148.4176.3-160.2163.4-7.100110.7V487 P488 V490 P587 N618 D619V487-Q616 CarbonylContact O-C 3.51Å; V487-Q616 VanDerWaalsContact O-CA 3.27Å; V487-Q616 WeakPolarHBondContact O-CA 3.35Å; V487-Q616 WeakPolarHBondContact O-CG 3.49Å; P488-Q616 WeakPolarHBondContact O-CG 3.25Å; P488-Q616 PolarHBondContact O-NE2 3.19Å; V490-Q616 HydrophobicContact CG2-CB 3.66Å; V490-Q616 HydrophobicContact CG2-CG 4.34Å; V490-Q616 VanDerWaalsContact CG2-N 3.32Å; P587-Q616 HydrophobicContact CG-CB 4.05Å; Q616-N618 WeakPolarHBondContact CB-OD1 3.17Å; Q616-N618 PolarHBondContact O-N 3.35Å; Q616-D619 PolarHBondContact O-N 3.48Å
617T82.4Confident88.3Confident63 Ų6327.9 Ų27.939%0.38718%0.18SC..G310 helixtrans-54.8-26.2-177.346.20000114.5P431 L486 V487P431-T617 HydrophobicContact CG-CG2 4.08Å; L486-T617 HydrophobicContact CB-CG2 4.23Å; V487-T617 PolarHBondContact O-N 3.07Å
618N76.3Confident88.3Confident115 Ų11529.4 Ų29.462%0.61519%0.191SC*.G310 helixtrans-80.7-8177.460.92.7000114.5Q616Q616-N618 WeakPolarHBondContact CB-OD1 3.17Å; Q616-N618 PolarHBondContact O-N 3.35Å
619D72.9Confident88.4Confident32 Ų3225.1 Ų25.117%0.17117%0.173CC..G310 helixtrans-100.530.2178.6-16215.5000112.9R585 M615 Q616 A621 C622R585-D619 VanDerWaalsContact CD-OD2 3.32Å; R585-D619 WeakPolarHBondContact CD-OD2 3.47Å; R585-D619 IonicContact CZ-OD2 2.67Å; R585-D619 IonicContact NE-OD2 3.44Å; R585-D619 PolarHBondContact NE-OD2 2.79Å; M615-D619 HydrophobicContact CE-CB 4.24Å; M615-D619 WeakPolarHBondContact CE-O 3.49Å; Q616-D619 PolarHBondContact O-N 3.48Å; D619-A621 PolarHBondContact O-N 3.34Å; D619-C622 PolarHBondContact O-N 2.86Å
620G68.4Low88.6Confident36 Ų3624.8 Ų24.837%0.37117%0.169SC..G310 helixtrans-58.8-19.1-174.500000115.3C622 M623G620-C622 VanDerWaalsContact C-N 3.29Å; G620-C622 PolarHBondContact O-N 2.79Å; G620-M623 VanDerWaalsContact O-CB 3.25Å; G620-M623 WeakPolarHBondContact O-CB 3.33Å; G620-M623 VanDerWaalsContact O-CG 3.32Å; G620-M623 WeakPolarHBondContact O-CG 3.39Å; G620-M623 PolarHBondContact O-N 3.38Å
621A75.8Confident88.5Confident92 Ų9226 Ų2676%0.7618%0.176SC*.G310 helixtrans-62.2-34179.500000113D619 M623D619-A621 PolarHBondContact O-N 3.34Å; A621-M623 VanDerWaalsContact C-N 3.26Å; A621-M623 PolarHBondContact O-N 3.04Å
622C84Confident88.3Confident2 Ų227.2 Ų27.21%0.01419%0.189CC..G310 helixtrans-82.81.5-179.9-176.30000113R585 M615 D619 G620 G624 P625 T626R585-C622 VanDerWaalsContact CZ-SG 3.51Å; R585-C622 PolarHBondContact NH1-SG 3.44Å; M615-C622 HydrophobicContact CE-CB 3.59Å; D619-C622 PolarHBondContact O-N 2.86Å; G620-C622 VanDerWaalsContact C-N 3.29Å; G620-C622 PolarHBondContact O-N 2.79Å; C622-G624 PolarHBondContact O-N 3.24Å; C622-P625 WeakPolarHBondContact O-CD 3.41Å; C622-T626 WeakPolarHBondContact O-CB 3.15Å; C622-T626 PolarHBondContact O-N 3.37Å; C622-T626 PolarHBondContact O-OG1 2.92Å
623M88.8Confident88.1Confident14 Ų1431.7 Ų31.77%0.06921%0.209CC..Hα-helixtrans-63.2-40.9-179.3-76.5-60.9-56.300113.8L430 P437 V484 L486 M615 G620 A621 A627L430-M623 HydrophobicContact CD2-CE 3.58Å; L430-M623 HydrophobicContact CD2-SD 4.47Å; P437-M623 HydrophobicContact CG-CE 4.26Å; V484-M623 HydrophobicContact CB-CE 4.46Å; V484-M623 HydrophobicContact CG1-CE 3.7Å; V484-M623 HydrophobicContact CG2-CE 3.87Å; V484-M623 HydrophobicContact CG2-SD 3.89Å; L486-M623 HydrophobicContact CD1-CG 4.03Å; L486-M623 HydrophobicContact CD1-SD 3.99Å; L486-M623 HydrophobicContact CD2-CG 4.17Å; L486-M623 HydrophobicContact CD2-SD 3.57Å; L486-M623 VanDerWaalsContact CD2-SD 3.57Å; L486-M623 HydrophobicContact CG-CE 4.44Å; L486-M623 HydrophobicContact CG-CG 4.32Å; L486-M623 HydrophobicContact CG-SD 3.66Å; M615-M623 HydrophobicContact CE-SD 4.27Å; M615-M623 HydrophobicContact SD-SD 4.13Å; G620-M623 VanDerWaalsContact O-CB 3.25Å; G620-M623 WeakPolarHBondContact O-CB 3.33Å; G620-M623 VanDerWaalsContact O-CG 3.32Å; G620-M623 WeakPolarHBondContact O-CG 3.39Å; G620-M623 PolarHBondContact O-N 3.38Å; A621-M623 VanDerWaalsContact C-N 3.26Å; A621-M623 PolarHBondContact O-N 3.04Å; M623-A627 VanDerWaalsContact O-CB 3.23Å; M623-A627 WeakPolarHBondContact O-CB 3.47Å; M623-A627 PolarHBondContact O-N 3.21Å
624G90.8Very high87.7Confident43 Ų4333.9 Ų33.944%0.44322%0.224SC..Hα-helixtrans-61.4-54.9177.800000112.4C622 T626 A627 S628C622-G624 PolarHBondContact O-N 3.24Å; G624-T626 PolarHBondContact O-N 3.5Å; G624-A627 PolarHBondContact O-N 3.05Å; G624-S628 WeakPolarHBondContact O-CB 3.29Å; G624-S628 PolarHBondContact O-N 2.82Å
625P92.4Very high87.4Confident24 Ų2434 Ų3416%0.15623%0.225CC..Hα-helixtrans-53.8-46.8174-29.435.4000113.6D593 Q597 C622 S628 A629D593-P625 HydrophobicContact CB-CB 4.21Å; D593-P625 HydrophobicContact CB-CG 4.04Å; Q597-P625 HydrophobicContact CG-CB 3.84Å; Q597-P625 WeakPolarHBondContact CG-O 3.5Å; Q597-P625 PolarHBondContact NE2-O 3.32Å; C622-P625 WeakPolarHBondContact O-CD 3.41Å; P625-S628 PolarHBondContact O-N 3.21Å; P625-A629 PolarHBondContact O-N 3.11Å; P625-A629 VanDerWaalsContact O-N 3.13Å
626T94.6Very high87.3Confident0 Ų036.3 Ų36.30%024%0.239CC..Hα-helixtrans-60.1-49.3177.6-630000111.7V484 W596 I600 V613 M615 C622 G624 S628 A629 L630V484-T626 HydrophobicContact CB-CG2 4.1Å; V484-T626 HydrophobicContact CG2-CG2 3.84Å; W596-T626 PolarHBondContact NE1-OG1 2.98Å; I600-T626 HydrophobicContact CD1-CG2 4.05Å; V613-T626 HydrophobicContact CB-CG2 4.02Å; V613-T626 HydrophobicContact CG1-CG2 3.77Å; V613-T626 HydrophobicContact CG2-CG2 4.1Å; M615-T626 HydrophobicContact SD-CG2 4.39Å; C622-T626 WeakPolarHBondContact O-CB 3.15Å; C622-T626 PolarHBondContact O-N 3.37Å; C622-T626 PolarHBondContact O-OG1 2.92Å; G624-T626 PolarHBondContact O-N 3.5Å; T626-S628 VanDerWaalsContact C-N 3.32Å; T626-S628 PolarHBondContact O-N 2.98Å; T626-A629 PolarHBondContact O-N 2.9Å; T626-L630 HydrophobicContact CG2-CD1 3.98Å; T626-L630 HydrophobicContact CG2-CG 4.45Å; T626-L630 WeakPolarHBondContact O-CG 3.37Å; T626-L630 PolarHBondContact O-N 3.39Å
627A94Very high87.4Confident3 Ų337.4 Ų37.43%0.02525%0.25CS..Hα-helixtrans-58.3-45.5178.500000111.6P437 L440 M623 G624 A629 L630 L631P437-A627 HydrophobicContact CB-CB 3.71Å; P437-A627 HydrophobicContact CG-CB 4.12Å; L440-A627 HydrophobicContact CD1-CB 3.51Å; L440-A627 HydrophobicContact CG-CB 3.98Å; M623-A627 VanDerWaalsContact O-CB 3.23Å; M623-A627 WeakPolarHBondContact O-CB 3.47Å; M623-A627 PolarHBondContact O-N 3.21Å; G624-A627 PolarHBondContact O-N 3.05Å; A627-A629 PolarHBondContact O-N 3.43Å; A627-L630 PolarHBondContact O-N 2.68Å; A627-L631 WeakPolarHBondContact O-CB 3.5Å; A627-L631 VanDerWaalsContact O-CG 3.27Å; A627-L631 WeakPolarHBondContact O-CG 3.47Å; A627-L631 PolarHBondContact O-N 2.8Å
628S93.8Very high87.5Confident36 Ų3634.9 Ų34.925%0.25223%0.234SC..Hα-helixtrans-57.4-47178.5-179.60000112G624 P625 T626 L631 G632 H633G624-S628 WeakPolarHBondContact O-CB 3.29Å; G624-S628 PolarHBondContact O-N 2.82Å; P625-S628 PolarHBondContact O-N 3.21Å; T626-S628 VanDerWaalsContact C-N 3.32Å; T626-S628 PolarHBondContact O-N 2.98Å; S628-L631 PolarHBondContact O-N 3.35Å; S628-G632 PolarHBondContact O-N 2.73Å; S628-H633 WeakPolarHBondContact O-CB 3.24Å; S628-H633 PolarHBondContact O-CD2 2.97Å; S628-H633 PolarHBondContact O-N 3.13Å; S628-H633 WeakPolarHBondContact OG-CB 3.46Å
629A94.8Very high87.4Confident3 Ų337.8 Ų37.83%0.02524%0.244CC..Hα-helixtrans-68-41.2179.800000112.5Q597 I600 K604 P625 T626 A627 L631 G632Q597-A629 HydrophobicContact CB-CB 4.23Å; Q597-A629 HydrophobicContact CG-CB 4.24Å; I600-A629 HydrophobicContact CB-CB 3.78Å; I600-A629 HydrophobicContact CD1-CB 4.07Å; I600-A629 HydrophobicContact CG2-CB 3.59Å; K604-A629 PolarHBondContact NZ-O 3.39Å; P625-A629 PolarHBondContact O-N 3.11Å; P625-A629 VanDerWaalsContact O-N 3.13Å; T626-A629 PolarHBondContact O-N 2.9Å; A627-A629 PolarHBondContact O-N 3.43Å; A629-L631 VanDerWaalsContact C-N 3.32Å; A629-L631 PolarHBondContact O-N 2.76Å; A629-G632 WeakPolarHBondContact O-CA 3.34Å; A629-G632 PolarHBondContact O-N 2.75Å
630L95.1Very high87.3Confident0 Ų044.8 Ų44.80%028%0.276CS..Hα-helixtrans-62-38.4176.9-74.9179000112.6S426 N482 V484 I600 K604 T611 V613 T626 A627 G632S426-L630 PolarHBondContact OG-O 3.28Å; N482-L630 HydrophobicContact CB-CD2 4.07Å; N482-L630 PolarHBondContact ND2-O 2.75Å; N482-L630 PolarHBondContact OD1-O 3.02Å; V484-L630 HydrophobicContact CB-CD1 3.84Å; V484-L630 HydrophobicContact CG1-CD1 4.26Å; I600-L630 HydrophobicContact CG2-CD2 3.94Å; I600-L630 HydrophobicContact CG2-CG 4.32Å; K604-L630 PolarHBondContact NZ-O 3.16Å; T611-L630 HydrophobicContact CG2-CD2 4.49Å; V613-L630 HydrophobicContact CG2-CD1 4.05Å; V613-L630 HydrophobicContact CG2-CD2 4.06Å; V613-L630 HydrophobicContact CG2-CG 4.34Å; T626-L630 HydrophobicContact CG2-CD1 3.98Å; T626-L630 HydrophobicContact CG2-CG 4.45Å; T626-L630 WeakPolarHBondContact O-CG 3.37Å; T626-L630 PolarHBondContact O-N 3.39Å; A627-L630 PolarHBondContact O-N 2.68Å; L630-G632 PolarHBondContact O-N 2.73Å; L630-G632 VanDerWaalsContact O-N 3.16Å
631L92.8Very high87.6Confident45 Ų4544 Ų4424%0.23626%0.263CS..THydrogen-bonded Turntrans-69.1-6.3173-70.5167.9000113.8D438 L440 A627 S628 A629D438-L631 WeakPolarHBondContact O-CD1 3.5Å; L440-L631 HydrophobicContact CD2-CD1 4.49Å; L440-L631 HydrophobicContact CD2-CD2 4.15Å; L440-L631 HydrophobicContact CD2-CG 4.11Å; A627-L631 WeakPolarHBondContact O-CB 3.5Å; A627-L631 VanDerWaalsContact O-CG 3.27Å; A627-L631 WeakPolarHBondContact O-CG 3.47Å; A627-L631 PolarHBondContact O-N 2.8Å; S628-L631 PolarHBondContact O-N 3.35Å; A629-L631 VanDerWaalsContact C-N 3.32Å; A629-L631 PolarHBondContact O-N 2.76Å
632G91.1Very high87.1Confident25 Ų2546.2 Ų46.226%0.25826%0.261SS..THydrogen-bonded Turntrans78.226.6179.300000113.2R123 S628 A629 L630R123-G632 PolarHBondContact NH1-O 2.85Å; R123-G632 PolarHBondContact NH2-O 3.13Å; S628-G632 PolarHBondContact O-N 2.73Å; A629-G632 WeakPolarHBondContact O-CA 3.34Å; A629-G632 PolarHBondContact O-N 2.75Å; L630-G632 PolarHBondContact O-N 2.73Å; L630-G632 VanDerWaalsContact O-N 3.16Å
633H91.6Very high86.2Confident93 Ų9350 Ų5043%0.43129%0.285SS..PPolyproline II helixtrans-71143.6162.5-64.7-74.5000109.5S628 A635S628-H633 WeakPolarHBondContact O-CB 3.24Å; S628-H633 PolarHBondContact O-CD2 2.97Å; S628-H633 PolarHBondContact O-N 3.13Å; S628-H633 WeakPolarHBondContact OG-CB 3.46Å; H633-A635 PolarHBondContact O-N 2.98Å
634P87.1Confident84.9Confident47 Ų4749.8 Ų49.831%0.30528%0.284SS..PPolyproline II helixtrans-62.3136.7-179.925.6-32.8000110.3G294G294-P634 WeakPolarHBondContact O-CB 3.43Å; G294-P634 VanDerWaalsContact O-CG 3.28Å; G294-P634 WeakPolarHBondContact O-CG 3.32Å
635A88.4Confident83.5Confident3 Ų350.6 Ų50.63%0.02528%0.278CS..PPolyproline II helixtrans-66.7141.4174.500000109.9Q597 Q598 H633Q597-A635 HydrophobicContact CB-CB 3.98Å; Q598-A635 HydrophobicContact CB-CB 4.46Å; Q598-A635 VanDerWaalsContact CD-CB 3.45Å; Q598-A635 HydrophobicContact CG-CB 3.87Å; H633-A635 PolarHBondContact O-N 2.98Å
636P90.9Very high82.3Confident47 Ų4753.8 Ų53.831%0.30530%0.299SS..PPolyproline II helixtrans-59.2145.1172.1-21.532.7000110.7C594 Q598 L638C594-P636 HydrophobicContact CB-CB 4.45Å; Q598-P636 PolarHBondContact NE2-O 3.02Å; P636-L638 PolarHBondContact O-N 3.03Å
637P89.1Confident81.2Confident63 Ų6358 Ų5841%0.40932%0.321SS..PPolyproline II helixtrans-55.2140.8172.2-22.832.9000111Q639P637-Q639 PolarHBondContact O-N 2.85Å
638L84.6Confident80.4Confident9 Ų957.9 Ų57.95%0.04732%0.32CS..PPolyproline II helixtrans-67.7125.4163-55.5-179.8000105.7Y251 C254 T558 I562 C594 M595 Q598 P636 L641Y251-L638 HydrophobicContact CD1-CD1 3.92Å; Y251-L638 HydrophobicContact CE1-CD1 4.25Å; C254-L638 PolarHBondContact SG-O 3.05Å; T558-L638 HydrophobicContact CG2-CB 4.27Å; T558-L638 HydrophobicContact CG2-CD1 3.81Å; T558-L638 HydrophobicContact CG2-CD2 4.08Å; T558-L638 HydrophobicContact CG2-CG 4.27Å; I562-L638 HydrophobicContact CD1-CD1 4.1Å; I562-L638 HydrophobicContact CG1-CD1 4.31Å; C594-L638 HydrophobicContact CB-CD2 4.07Å; M595-L638 HydrophobicContact CB-CD2 4.19Å; M595-L638 HydrophobicContact SD-CD1 3.87Å; M595-L638 HydrophobicContact SD-CD2 4.28Å; Q598-L638 HydrophobicContact CB-CD2 4.49Å; Q598-L638 HydrophobicContact CG-CD1 4.45Å; Q598-L638 HydrophobicContact CG-CD2 3.78Å; Q598-L638 HydrophobicContact CG-CG 3.99Å; P636-L638 PolarHBondContact O-N 3.03Å; L638-L641 HydrophobicContact CB-CD2 4.06Å; L638-L641 HydrophobicContact CD1-CD2 4.4Å
639Q75.6Confident79.6Confident177 Ų17756.3 Ų56.383%0.82731%0.31SS*.PPolyproline II helixtrans-52.9168173.8-66.5177.9-4.300110.3P637 L641P637-Q639 PolarHBondContact O-N 2.85Å; Q639-L641 PolarHBondContact O-N 2.84Å
640E70.7Confident78.9Confident178 Ų17856.9 Ų56.983%0.83232%0.315SS*.SBendtrans-42.9114.6-177.7-166176.2-174.200111.8L642E640-L642 PolarHBondContact O-N 3.29Å
641L73Confident78.3Confident19 Ų1958.1 Ų58.110%0.09933%0.326CS..PPolyproline II helixtrans-71.2118.7-176-67.9-176.4000108.6Y251 T558 V559 I562 L638 Q639Y251-L641 WeakPolarHBondContact O-CD1 3.47Å; T558-L641 HydrophobicContact CG2-CD2 3.71Å; V559-L641 HydrophobicContact CG2-CB 4.25Å; V559-L641 HydrophobicContact CG2-CD2 4.33Å; I562-L641 HydrophobicContact CG2-CD1 4.09Å; L638-L641 HydrophobicContact CB-CD2 4.06Å; L638-L641 HydrophobicContact CD1-CD2 4.4Å; Q639-L641 PolarHBondContact O-N 2.84Å
642L66.6Low78Confident139 Ų13956.3 Ų56.373%0.72832%0.316SS*.PPolyproline II helixtrans-65162.8174.4-64.1174.8000110.8V559 E640V559-L642 HydrophobicContact CG2-CB 4.48Å; V559-L642 WeakPolarHBondContact CG2-O 3.4Å; E640-L642 PolarHBondContact O-N 3.29Å
643T64.7Low77.7Confident83 Ų8356.6 Ų56.651%0.50931%0.311SS..PPolyproline II helixtrans-61.4130.2173.5-570000110.2
644P61.3Low77.4Confident8 Ų859.5 Ų59.55%0.05232%0.318CS..PPolyproline II helixtrans-61.1152.6177.919.6-25.6000111.2V559V559-P644 HydrophobicContact CB-CB 4.49Å; V559-P644 HydrophobicContact CG1-CB 3.64Å; V559-P644 HydrophobicContact CG1-CG 4Å
645L62Low77.4Confident61 Ų6158.5 Ų58.532%0.31931%0.31SS..PPolyproline II helixtrans-64.9136.2168-79.5-178.3000109.5K553 D647 D648 G649K553-L645 HydrophobicContact CD-CD1 3.42Å; K553-L645 VanDerWaalsContact CD-CD1 3.42Å; K553-L645 HydrophobicContact CD-CG 3.8Å; K553-L645 HydrophobicContact CG-CD1 3.56Å; K553-L645 HydrophobicContact CG-CG 4.47Å; L645-D647 PolarHBondContact O-N 3.19Å; L645-D647 VanDerWaalsContact O-N 3.1Å; L645-D648 PolarHBondContact O-N 3.18Å; L645-G649 PolarHBondContact O-N 3.1Å
646P67.3Low77.5Confident91 Ų9158.8 Ų58.859%0.59131%0.31SS*.Hα-helixtrans-55.9-31.8177.3-27.834.9000114H359 G650H359-P646 PolarHBondContact CE1-O 3.14Å; P646-G650 PolarHBondContact O-N 3.47Å; P646-G650 VanDerWaalsContact O-N 3.14Å
647D71.1Confident77.3Confident88 Ų8861.4 Ų61.447%0.47132%0.318SS..Hα-helixtrans-69.3-42.6-177.4-79.815.4000113.5K552 L645 A651K552-D647 HydrophobicContact CD-CB 3.96Å; K552-D647 IonicContact NZ-OD2 2.7Å; K552-D647 PolarHBondContact NZ-OD2 3.44Å; L645-D647 PolarHBondContact O-N 3.19Å; L645-D647 VanDerWaalsContact O-N 3.1Å; D647-A651 WeakPolarHBondContact O-CB 3.38Å; D647-A651 PolarHBondContact O-N 2.8Å
648D76.6Confident77.3Confident1 Ų164 Ų641%0.00532%0.32CS..Hα-helixtrans-73.2-45.4-177.8-71.7-30000110.5K552 L645 G650 A651 L652K552-D648 WeakPolarHBondContact CB-OD1 3.31Å; K552-D648 WeakPolarHBondContact CG-OD1 3.36Å; K552-D648 PolarHBondContact N-OD1 2.71Å; L645-D648 PolarHBondContact O-N 3.18Å; D648-G650 VanDerWaalsContact C-N 3.34Å; D648-G650 PolarHBondContact O-N 2.97Å; D648-A651 PolarHBondContact O-N 3.29Å; D648-A651 VanDerWaalsContact O-N 3.15Å; D648-L652 WeakPolarHBondContact O-CG 3.35Å; D648-L652 PolarHBondContact O-N 2.87Å
649G77.9Confident77.6Confident3 Ų363.5 Ų63.53%0.03132%0.317CS..Hα-helixtrans-60.6-42.417600000112.5L645 A651 L652 E653L645-G649 PolarHBondContact O-N 3.1Å; G649-A651 PolarHBondContact O-N 3.46Å; G649-L652 PolarHBondContact O-N 3.36Å; G649-E653 WeakPolarHBondContact O-CG 3.5Å; G649-E653 PolarHBondContact O-N 3.23Å; G649-E653 VanDerWaalsContact O-N 3.11Å
650G79.4Confident78.4Confident14 Ų1457.1 Ų57.114%0.14429%0.288CS..Hα-helixtrans-66.4-33.9174.600000113.9P646 D648 R654P646-G650 PolarHBondContact O-N 3.47Å; P646-G650 VanDerWaalsContact O-N 3.14Å; D648-G650 VanDerWaalsContact C-N 3.34Å; D648-G650 PolarHBondContact O-N 2.97Å; G650-R654 WeakPolarHBondContact O-CG 3.29Å; G650-R654 PolarHBondContact O-N 3.15Å; G650-R654 PolarHBondContact O-NH1 3.31Å; G650-R654 VanDerWaalsContact O-NH1 3.13Å
651A82.1Confident79.3Confident26 Ų2651.9 Ų51.922%0.21527%0.274CS..Hα-helixtrans-69-42.217600000112.2D647 D648 G649 R654 M655D647-A651 WeakPolarHBondContact O-CB 3.38Å; D647-A651 PolarHBondContact O-N 2.8Å; D648-A651 PolarHBondContact O-N 3.29Å; D648-A651 VanDerWaalsContact O-N 3.15Å; G649-A651 PolarHBondContact O-N 3.46Å; A651-R654 PolarHBondContact O-N 3.04Å; A651-M655 WeakPolarHBondContact O-CB 3.22Å; A651-M655 PolarHBondContact O-N 2.96Å
652L86.6Confident80.1Confident7 Ų754.6 Ų54.64%0.03729%0.289CS..Hα-helixtrans-62.7-41.7176-70.4173.5000111.9V549 L551 Q563 A564 L568 D648 G649 M655 R656V549-L652 HydrophobicContact CG1-CD2 3.7Å; L551-L652 HydrophobicContact CD2-CD1 4.45Å; L551-L652 HydrophobicContact CD2-CD2 4.49Å; Q563-L652 HydrophobicContact CB-CD1 3.67Å; A564-L652 HydrophobicContact CB-CD1 4.24Å; A564-L652 HydrophobicContact CB-CD2 3.83Å; L568-L652 HydrophobicContact CD1-CD2 3.71Å; D648-L652 WeakPolarHBondContact O-CG 3.35Å; D648-L652 PolarHBondContact O-N 2.87Å; G649-L652 PolarHBondContact O-N 3.36Å; L652-M655 WeakPolarHBondContact O-CB 3.29Å; L652-M655 PolarHBondContact O-N 3.1Å; L652-R656 PolarHBondContact O-N 3.19Å
653E85.3Confident81.4Confident32 Ų3248.5 Ų48.515%0.1526%0.257CS..Hα-helixtrans-65.3-43.3176.5-69.7-56139.400112.3R347 H359 G649 M655 R656 E657R347-E653 IonicContact NH2-OE1 3.7Å; H359-E653 HydrophobicContact CB-CG 3.93Å; G649-E653 WeakPolarHBondContact O-CG 3.5Å; G649-E653 PolarHBondContact O-N 3.23Å; G649-E653 VanDerWaalsContact O-N 3.11Å; E653-M655 PolarHBondContact O-N 2.89Å; E653-R656 WeakPolarHBondContact O-CB 3.31Å; E653-R656 PolarHBondContact O-N 3.2Å; E653-R656 IonicContact OE1-CZ 2.79Å; E653-R656 IonicContact OE1-NE 3.65Å; E653-R656 PolarHBondContact OE1-NE 3Å; E653-R656 IonicContact OE1-NH2 3.99Å; E653-R656 PolarHBondContact OE1-NH2 3.42Å; E653-R656 IonicContact OE2-CZ 3.66Å; E653-R656 IonicContact OE2-NE 3.84Å; E653-R656 PolarHBondContact OE2-NE 3.17Å; E653-R656 IonicContact OE2-NH2 2.69Å; E653-E657 WeakPolarHBondContact O-CG 3.31Å; E653-E657 PolarHBondContact O-N 3.48Å
654R85.2Confident82.9Confident154 Ų15448 Ų4858%0.58125%0.247SC*.Hα-helixtrans-59.5-37.2173.3-73.5-172.3-61.7-83.52.4112.3G650 A651 R658G650-R654 WeakPolarHBondContact O-CG 3.29Å; G650-R654 PolarHBondContact O-N 3.15Å; G650-R654 PolarHBondContact O-NH1 3.31Å; G650-R654 VanDerWaalsContact O-NH1 3.13Å; A651-R654 PolarHBondContact O-N 3.04Å; R654-R658 PolarHBondContact O-N 3.06Å; R654-R658 VanDerWaalsContact O-N 3.13Å
655M87.6Confident84.5Confident25 Ų2547.7 Ų47.712%0.12325%0.245CC..Hα-helixtrans-67.1-44176.8-171.3172.6-64.800111.6I547 P548 V549 L568 A651 L652 E653 R658 L659I547-M655 HydrophobicContact CG2-SD 4.15Å; P548-M655 WeakPolarHBondContact O-CE 3.46Å; V549-M655 HydrophobicContact CG2-SD 4.05Å; L568-M655 HydrophobicContact CD1-CB 4.45Å; L568-M655 HydrophobicContact CD1-CG 4.17Å; L568-M655 HydrophobicContact CD1-SD 3.71Å; A651-M655 WeakPolarHBondContact O-CB 3.22Å; A651-M655 PolarHBondContact O-N 2.96Å; L652-M655 WeakPolarHBondContact O-CB 3.29Å; L652-M655 PolarHBondContact O-N 3.1Å; E653-M655 PolarHBondContact O-N 2.89Å; M655-R658 PolarHBondContact O-N 3.21Å; M655-L659 HydrophobicContact CG-CD1 3.8Å; M655-L659 HydrophobicContact CG-CG 4.47Å; M655-L659 WeakPolarHBondContact O-CB 3.44Å; M655-L659 VanDerWaalsContact O-CG 3.27Å; M655-L659 WeakPolarHBondContact O-CG 3.43Å; M655-L659 PolarHBondContact O-N 2.66Å
656R90.1Very high86.1Confident9 Ų944.8 Ų44.83%0.03423%0.23CC..Hα-helixtrans-57.6-50.8173.5-176.4-156.4-53.9-70.9-9.9111.1H244 G567 L568 L652 E653 R658 L659 Q660 L666H244-R656 PolarHBondContact CE1-NH1 3.23Å; H244-R656 VanDerWaalsContact CE1-NH1 3.33Å; H244-R656 PolarHBondContact ND1-NH1 3.45Å; G567-R656 PolarHBondContact O-NH1 3.07Å; L568-R656 HydrophobicContact CD2-CB 3.94Å; L652-R656 PolarHBondContact O-N 3.19Å; E653-R656 WeakPolarHBondContact O-CB 3.31Å; E653-R656 PolarHBondContact O-N 3.2Å; E653-R656 IonicContact OE1-CZ 2.79Å; E653-R656 IonicContact OE1-NE 3.65Å; E653-R656 PolarHBondContact OE1-NE 3Å; E653-R656 IonicContact OE1-NH2 3.99Å; E653-R656 PolarHBondContact OE1-NH2 3.42Å; E653-R656 IonicContact OE2-CZ 3.66Å; E653-R656 IonicContact OE2-NE 3.84Å; E653-R656 PolarHBondContact OE2-NE 3.17Å; E653-R656 IonicContact OE2-NH2 2.69Å; R656-R658 PolarHBondContact O-N 2.91Å; R656-L659 PolarHBondContact O-N 3.34Å; R656-Q660 WeakPolarHBondContact O-CB 3.43Å; R656-Q660 PolarHBondContact O-N 3.42Å; R656-L666 WeakPolarHBondContact CD-O 3.36Å; R656-L666 HydrophobicContact CG-CB 3.99Å; R656-L666 WeakPolarHBondContact CG-O 2.9Å
657E87.1Confident87.4Confident103 Ų10341.2 Ų41.248%0.48121%0.205SC..Hα-helixtrans-57-37.6179.2-75.1174.9175.700112.5E653 Q660E653-E657 WeakPolarHBondContact O-CG 3.31Å; E653-E657 PolarHBondContact O-N 3.48Å; E657-Q660 WeakPolarHBondContact O-CG 3.05Å
658R88.8Confident88.4Confident116 Ų11637.5 Ų37.544%0.43819%0.186SC..Hα-helixtrans-70.4-40175.6-178.5178.661.6171.53.5112.4R654 M655 R656R654-R658 PolarHBondContact O-N 3.06Å; R654-R658 VanDerWaalsContact O-N 3.13Å; M655-R658 PolarHBondContact O-N 3.21Å; R656-R658 PolarHBondContact O-N 2.91Å
659L91.3Very high88.8Confident0 Ų039.3 Ų39.30%020%0.197CC..Hα-helixtrans-83.3-24.7-173.8-70171.5000113.6I547 L568 M655 R656 A661 D662 W663 L666I547-L659 HydrophobicContact CD1-CD1 4.06Å; I547-L659 HydrophobicContact CD1-CD2 4.31Å; I547-L659 HydrophobicContact CG1-CD1 4.23Å; I547-L659 HydrophobicContact CG1-CD2 4.2Å; I547-L659 HydrophobicContact CG2-CD1 3.79Å; L568-L659 HydrophobicContact CD2-CD1 4.35Å; M655-L659 HydrophobicContact CG-CD1 3.8Å; M655-L659 HydrophobicContact CG-CG 4.47Å; M655-L659 WeakPolarHBondContact O-CB 3.44Å; M655-L659 VanDerWaalsContact O-CG 3.27Å; M655-L659 WeakPolarHBondContact O-CG 3.43Å; M655-L659 PolarHBondContact O-N 2.66Å; R656-L659 PolarHBondContact O-N 3.34Å; L659-A661 PolarHBondContact O-N 3.46Å; L659-D662 PolarHBondContact O-N 3.04Å; L659-W663 PolarHBondContact O-N 3.03Å; L659-L666 HydrophobicContact CB-CD1 3.38Å; L659-L666 HydrophobicContact CD1-CD1 4.24Å; L659-L666 HydrophobicContact CG-CD1 4.47Å
660Q91.4Very high88.7Confident43 Ų4339.6 Ų39.620%0.20120%0.2CC..THydrogen-bonded Turntrans-63.7-16.3-17574.4-173.3-15.100114.2R656 E657 D662 W663 L666 Q667R656-Q660 WeakPolarHBondContact O-CB 3.43Å; R656-Q660 PolarHBondContact O-N 3.42Å; E657-Q660 WeakPolarHBondContact O-CG 3.05Å; Q660-D662 VanDerWaalsContact C-N 3.35Å; Q660-W663 WeakPolarHBondContact CA-O 3.45Å; Q660-L666 HydrophobicContact CB-CB 3.97Å; Q660-Q667 HydrophobicContact CB-CG 4Å; Q660-Q667 HydrophobicContact CG-CG 4.46Å
661A89.5Confident87.9Confident67 Ų6746.5 Ų46.555%0.55423%0.229SC*.THydrogen-bonded Turntrans-64.7-4217200000111.4L659 K664L659-A661 PolarHBondContact O-N 3.46Å; A661-K664 WeakPolarHBondContact O-CE 3.46Å; A661-K664 PolarHBondContact O-NZ 2.98Å
662D91.5Very high86.4Confident76 Ų7655.4 Ų55.441%0.40626%0.257SS..THydrogen-bonded Turntrans-90.9-27.5-179.5-74.7-53.4000113.3K544 L659 Q660K544-D662 HydrophobicContact CB-CB 4.18Å; K544-D662 WeakPolarHBondContact CB-OD2 3.24Å; K544-D662 HydrophobicContact CD-CB 4.01Å; K544-D662 WeakPolarHBondContact CD-OD1 3.42Å; L659-D662 PolarHBondContact O-N 3.04Å; Q660-D662 VanDerWaalsContact C-N 3.35Å
663W93.9Very high86.4Confident12 Ų1257.9 Ų57.95%0.04527%0.268CS..  trans-127.493.3-173-59.2101.2000110.6L529 K544 Y545 L572 E575 Y576 L659 Q660 M665 L666L529-W663 HydrophobicContact CD1-CH2 4.27Å; L529-W663 HydrophobicContact CD1-CZ2 3.88Å; L529-W663 HydrophobicContact CD2-CH2 3.96Å; L529-W663 HydrophobicContact CD2-CZ2 4.3Å; L529-W663 HydrophobicContact CD2-CZ3 4.45Å; K544-W663 PolarHBondContact O-NE1 3.31Å; Y545-W663 AromaticContact CD1-CH2 3.84Å; Y545-W663 HydrophobicContact CD1-CH2 3.84Å; Y545-W663 AromaticContact CD1-CZ2 3.6Å; Y545-W663 HydrophobicContact CD1-CZ2 3.6Å; Y545-W663 AromaticContact CE1-CH2 3.71Å; Y545-W663 HydrophobicContact CE1-CH2 3.71Å; Y545-W663 AromaticContact CE1-CZ2 3.74Å; Y545-W663 HydrophobicContact CE1-CZ2 3.74Å; L572-W663 HydrophobicContact CD2-CB 3.78Å; L572-W663 HydrophobicContact CD2-CD2 3.43Å; L572-W663 VanDerWaalsContact CD2-CD2 3.43Å; L572-W663 HydrophobicContact CD2-CE3 3.95Å; L572-W663 HydrophobicContact CD2-CG 3.34Å; E575-W663 HydrophobicContact CB-CE3 4.2Å; E575-W663 HydrophobicContact CG-CE3 3.99Å; E575-W663 HydrophobicContact CG-CZ3 4.45Å; E575-W663 VanDerWaalsContact OE1-CA 3.31Å; E575-W663 WeakPolarHBondContact OE1-CA 3.45Å; E575-W663 WeakPolarHBondContact OE2-CA 3.27Å; Y576-W663 AromaticContact CD2-CH2 3.72Å; Y576-W663 HydrophobicContact CD2-CH2 3.72Å; Y576-W663 HydrophobicContact CD2-CZ3 4.09Å; Y576-W663 HydrophobicContact CG-CH2 4.39Å; L659-W663 PolarHBondContact O-N 3.03Å; Q660-W663 WeakPolarHBondContact CA-O 3.45Å; W663-M665 VanDerWaalsContact C-N 3.31Å; W663-M665 PolarHBondContact O-N 3.08Å; W663-L666 HydrophobicContact CB-CD1 3.81Å; W663-L666 HydrophobicContact CB-CG 4.08Å; W663-L666 WeakPolarHBondContact O-CB 3.39Å; W663-L666 PolarHBondContact O-N 2.89Å; W663-L666 VanDerWaalsContact O-N 3.12Å
664K95Very high86.5Confident72 Ų7259.2 Ų59.231%0.31327%0.274SS..G310 helixtrans-67.5-26.4-170-58.4-54-173-171.10114.4S334 P335 E575 A661 L666 Q667S334-K664 VanDerWaalsContact CB-CB 3.49Å; P335-K664 WeakPolarHBondContact CD-O 3.38Å; E575-K664 PolarHBondContact OE1-N 2.85Å; E575-K664 PolarHBondContact OE2-N 3.46Å; A661-K664 WeakPolarHBondContact O-CE 3.46Å; A661-K664 PolarHBondContact O-NZ 2.98Å; K664-L666 PolarHBondContact O-N 3.43Å; K664-L666 VanDerWaalsContact O-N 3.12Å; K664-Q667 WeakPolarHBondContact O-CB 3.24Å; K664-Q667 WeakPolarHBondContact O-CG 3.47Å; K664-Q667 PolarHBondContact O-N 2.81Å; K664-Q667 PolarHBondContact O-OE1 3.28Å
665M95.8Very high86.6Confident1 Ų153.9 Ų53.91%0.00526%0.257CS..G310 helixtrans-65.5-13.2174.7-73-64.9-63.500112.8L239 S240 H244 P335 P571 E575 W663 Q667L239-M665 HydrophobicContact CB-CE 3.67Å; L239-M665 HydrophobicContact CD1-CE 4.4Å; S240-M665 WeakPolarHBondContact OG-CE 3.32Å; H244-M665 PolarHBondContact NE2-O 2.83Å; P335-M665 HydrophobicContact CG-SD 4.27Å; P571-M665 HydrophobicContact CB-CB 3.94Å; E575-M665 HydrophobicContact CB-CB 4.1Å; E575-M665 HydrophobicContact CB-CG 3.79Å; E575-M665 HydrophobicContact CG-CG 4.28Å; E575-M665 WeakPolarHBondContact OE2-CB 3.49Å; E575-M665 PolarHBondContact OE2-N 3Å; W663-M665 VanDerWaalsContact C-N 3.31Å; W663-M665 PolarHBondContact O-N 3.08Å; M665-Q667 VanDerWaalsContact C-N 3.35Å
666L95.4Very high86.5Confident0 Ų055.6 Ų55.60%027%0.265CS..G310 helixtrans-80.8-12.3173.3-64.8178.9000114G567 L568 P571 L572 R656 L659 Q660 W663 K664 T668G567-L666 VanDerWaalsContact O-CD2 3.23Å; G567-L666 WeakPolarHBondContact O-CD2 3.22Å; L568-L666 HydrophobicContact CD2-CD1 4.38Å; L568-L666 HydrophobicContact CD2-CD2 4.02Å; P571-L666 HydrophobicContact CB-CD2 3.74Å; P571-L666 HydrophobicContact CB-CG 4.49Å; P571-L666 HydrophobicContact CG-CD2 4.16Å; L572-L666 HydrophobicContact CD2-CD1 4.05Å; L572-L666 HydrophobicContact CG-CD1 4.32Å; L572-L666 HydrophobicContact CG-CD2 4.29Å; R656-L666 WeakPolarHBondContact CD-O 3.36Å; R656-L666 HydrophobicContact CG-CB 3.99Å; R656-L666 WeakPolarHBondContact CG-O 2.9Å; L659-L666 HydrophobicContact CB-CD1 3.38Å; L659-L666 HydrophobicContact CD1-CD1 4.24Å; L659-L666 HydrophobicContact CG-CD1 4.47Å; Q660-L666 HydrophobicContact CB-CB 3.97Å; W663-L666 HydrophobicContact CB-CD1 3.81Å; W663-L666 HydrophobicContact CB-CG 4.08Å; W663-L666 WeakPolarHBondContact O-CB 3.39Å; W663-L666 PolarHBondContact O-N 2.89Å; W663-L666 VanDerWaalsContact O-N 3.12Å; K664-L666 PolarHBondContact O-N 3.43Å; K664-L666 VanDerWaalsContact O-N 3.12Å; L666-T668 PolarHBondContact O-N 3.1Å
667Q94.6Very high86.3Confident16 Ų1658.6 Ų58.68%0.07528%0.279CS..  trans-62.8133.9-179.6-67.6177-66.500110.4L340 Q660 K664 M665L340-Q667 HydrophobicContact CD1-CB 4.12Å; L340-Q667 HydrophobicContact CD2-CB 3.8Å; L340-Q667 WeakPolarHBondContact CD2-O 3.23Å; Q660-Q667 HydrophobicContact CB-CG 4Å; Q660-Q667 HydrophobicContact CG-CG 4.46Å; K664-Q667 WeakPolarHBondContact O-CB 3.24Å; K664-Q667 WeakPolarHBondContact O-CG 3.47Å; K664-Q667 PolarHBondContact O-N 2.81Å; K664-Q667 PolarHBondContact O-OE1 3.28Å; M665-Q667 VanDerWaalsContact C-N 3.35Å
668T91.1Very high86.2Confident10 Ų1055.6 Ų55.66%0.06127%0.266CS..  trans-126.65.7175.460.70000113.6H244 L343 L666H244-T668 HydrophobicContact CB-CG2 4.04Å; L343-T668 VanDerWaalsContact CD2-CA 3.46Å; L343-T668 HydrophobicContact CD2-CG2 4.03Å; L343-T668 WeakPolarHBondContact CD2-O 3.46Å; L666-T668 PolarHBondContact O-N 3.1Å
669T86.4Confident86Confident40 Ų4051.3 Ų51.325%0.24525%0.253CS..SBendtrans-149.1143.1-176.856.30000108.9Q344Q344-T669 HydrophobicContact CB-CG2 4.38Å; Q344-T669 HydrophobicContact CG-CG2 3.95Å
670G74.3Confident85.6Confident9 Ų955.2 Ų55.29%0.09327%0.273CS..  trans-76.2162.8173.100000113.2E337 W672E337-G670 WeakPolarHBondContact OE2-CA 3.39Å; G670-W672 VanDerWaalsContact O-CD1 3.32Å; G670-W672 PolarHBondContact O-N 3.29Å
671E63.7Low85.2Confident159 Ų15956.3 Ų56.374%0.74328%0.279SS*.  trans-80.3101171.9-66.7-173.717800109.3E337E337-E671 PolarHBondContact OE2-N 3.11Å
672W50.8Low84.8Confident213 Ų21355.3 Ų55.381%0.80725%0.254SS*.  trans-103.50-179.1-62.999.9000113.8E341 G670E341-W672 HydrophobicContact CB-CH2 4.43Å; E341-W672 HydrophobicContact CB-CZ2 3.81Å; E341-W672 HydrophobicContact CG-CH2 4.11Å; E341-W672 HydrophobicContact CG-CZ2 3.66Å; G670-W672 VanDerWaalsContact O-CD1 3.32Å; G670-W672 PolarHBondContact O-N 3.29Å

Retrieved 672 of 672 residues in 557.3 ms (Link to these results)

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