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Probable hydroxyacylglutathione hydrolase AlphaSync

Thiolesterase that catalyzes the hydrolysis of S-D-lactoyl-glutathione to form glutathione and D-lactic acid.

AlphaFold DB , UniProt , Accession Q26547, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 240 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
1M54.6Low75.5Confident190 Ų19062 Ų6294%0.93633%0.327SS*.  0129.20-73.4-176.5-94.100106.9
2S59.6Low76.7Confident67 Ų6757.5 Ų57.547%0.46930%0.304SS..  trans-74141.1171.435.40000109.5L24 R25S2-L24 WeakPolarHBondContact OG-CD2 3.49Å; S2-R25 PolarHBondContact O-N 3.17Å
3S60Low77.9Confident34 Ų3461.2 Ų61.224%0.23832%0.324CS..EExtended strand (participates in β ladder)trans-94.7132.2-178.5-62.40000109.6R25 E27S3-R25 WeakPolarHBondContact CA-O 3.16Å; S3-E27 VanDerWaalsContact CB-OE1 3.26Å; S3-E27 WeakPolarHBondContact CB-OE1 3.31Å; S3-E27 VanDerWaalsContact CB-OE2 3.27Å; S3-E27 WeakPolarHBondContact CB-OE2 3.36Å; S3-E27 PolarHBondContact OG-OE1 2.84Å; S3-E27 PolarHBondContact OG-OE2 3.03Å
4E70.6Confident78.9Confident73 Ų7366.2 Ų66.234%0.34134%0.342SS..EExtended strand (participates in β ladder)trans-124.9158.5-172.6-63.6-70.1161.900111.9L24 R25 E27E4-L24 HydrophobicContact CG-CB 3.72Å; E4-L24 HydrophobicContact CG-CD1 3.55Å; E4-L24 HydrophobicContact CG-CD2 3.83Å; E4-L24 HydrophobicContact CG-CG 3.84Å; E4-R25 PolarHBondContact N-O 3.16Å; E4-E27 PolarHBondContact O-N 3.33Å; E4-E27 VanDerWaalsContact O-N 3.17Å
5Q72.7Confident79.5Confident49 Ų4963.8 Ų63.823%0.22933%0.329CS..EExtended strand (participates in β ladder)trans-119.2145.2174.5-57.881.841.200109.9S28 L81Q5-S28 WeakPolarHBondContact CA-O 3.36Å; Q5-S28 VanDerWaalsContact CG-OG 3.28Å; Q5-S28 WeakPolarHBondContact CG-OG 3.43Å; Q5-L81 HydrophobicContact CG-CB 4.11Å; Q5-L81 HydrophobicContact CG-CD1 3.86Å; Q5-L81 HydrophobicContact CG-CD2 3.9Å; Q5-L81 HydrophobicContact CG-CG 4.15Å
6L78Confident80.1Confident35 Ų3560.6 Ų60.618%0.18331%0.313CS..EExtended strand (participates in β ladder)trans-114135.4173.9-66.7164.9000109.7P9 I15 L26 S28 I29 L30 L45L6-P9 HydrophobicContact CB-CB 4.32Å; L6-P9 HydrophobicContact CD1-CB 4.32Å; L6-I15 HydrophobicContact CD1-CB 4.47Å; L6-I15 HydrophobicContact CD1-CD1 4.41Å; L6-I15 HydrophobicContact CD1-CG2 3.14Å; L6-I15 HydrophobicContact CD2-CG2 3.94Å; L6-I15 HydrophobicContact CG-CG2 4.17Å; L6-L26 HydrophobicContact CB-CD1 4.19Å; L6-L26 HydrophobicContact CD1-CD1 3.31Å; L6-L26 HydrophobicContact CD1-CD2 3.51Å; L6-L26 HydrophobicContact CD1-CG 4.02Å; L6-L26 HydrophobicContact CG-CD1 3.46Å; L6-L26 VanDerWaalsContact CG-CD1 3.46Å; L6-S28 PolarHBondContact N-O 2.99Å; L6-S28 VanDerWaalsContact N-O 3.16Å; L6-I29 CarbonylContact O-C 3.52Å; L6-I29 WeakPolarHBondContact O-CA 3.2Å; L6-L30 PolarHBondContact O-N 3Å; L6-L45 HydrophobicContact CD1-CD2 3.83Å
7Q83.8Confident80.7Confident49 Ų4960.4 Ų60.423%0.22932%0.318CS..EExtended strand (participates in β ladder)trans-94.2132.7166.1-169.8-152-24.800108.9L30 T32 F116Q7-L30 WeakPolarHBondContact CA-O 3.28Å; Q7-T32 HydrophobicContact CG-CG2 4.01Å; Q7-F116 HydrophobicContact CB-CD1 4.31Å; Q7-F116 HydrophobicContact CG-CB 4.14Å; Q7-F116 HydrophobicContact CG-CD1 4.41Å; Q7-F116 HydrophobicContact CG-CG 4.46Å
8D88.2Confident81.2Confident18 Ų1859.2 Ų59.210%0.09632%0.318CS..SBendtrans47.359.2167.6-60.6-21.9000115.4V10 L30 T31 T32 H38D8-V10 PolarHBondContact O-N 3.47Å; D8-L30 PolarHBondContact N-O 3.36Å; D8-T31 WeakPolarHBondContact OD1-CA 3.42Å; D8-T32 PolarHBondContact OD1-N 3.16Å; D8-T32 PolarHBondContact OD1-OG1 3.08Å; D8-T32 VanDerWaalsContact OD2-CG2 3.29Å; D8-T32 WeakPolarHBondContact OD2-CG2 3.28Å; D8-T32 PolarHBondContact OD2-OG1 3.38Å; D8-H38 CarbonylContact C-O 3.48Å; D8-H38 VanDerWaalsContact C-O 3.24Å; D8-H38 VanDerWaalsContact CA-O 3.29Å; D8-H38 WeakPolarHBondContact CA-O 3.43Å; D8-H38 HydrophobicContact CB-CB 3.88Å; D8-H38 VanDerWaalsContact CG-ND1 3.33Å; D8-H38 IonicContact OD2-CE1 3.52Å; D8-H38 IonicContact OD2-CG 3.36Å; D8-H38 IonicContact OD2-ND1 3.9Å; D8-H38 PolarHBondContact OD2-ND1 2.74Å
9P84.6Confident81.5Confident2 Ų256.9 Ų56.91%0.01331%0.307CS..  trans-80.177.4-168.334.7-38.2000113.5L6 E11 I15 I29 G41 N42 L45L6-P9 HydrophobicContact CB-CB 4.32Å; L6-P9 HydrophobicContact CD1-CB 4.32Å; P9-E11 PolarHBondContact O-N 3.29Å; P9-I15 VanDerWaalsContact CA-CD1 3.43Å; P9-I15 HydrophobicContact CB-CD1 3.2Å; P9-I29 VanDerWaalsContact CD-CG2 3.47Å; P9-I29 HydrophobicContact CG-CB 4.47Å; P9-I29 HydrophobicContact CG-CD1 3.95Å; P9-I29 HydrophobicContact CG-CG1 4.13Å; P9-I29 HydrophobicContact CG-CG2 3.56Å; P9-G41 VanDerWaalsContact O-CA 3.28Å; P9-G41 WeakPolarHBondContact O-CA 2.97Å; P9-N42 WeakPolarHBondContact CD-OD1 3.29Å; P9-N42 WeakPolarHBondContact CG-OD1 3.49Å; P9-L45 HydrophobicContact CB-CD2 3.69Å; P9-L45 HydrophobicContact CG-CD2 3.82Å
10V88.4Confident81.7Confident67 Ų6758.9 Ų58.941%0.40632%0.32SS..  trans-75.2-19.2-17771.90000114.9D8 P12 L36 D37D8-V10 PolarHBondContact O-N 3.47Å; V10-P12 VanDerWaalsContact O-CD 3.29Å; V10-P12 WeakPolarHBondContact O-CD 3.15Å; V10-L36 WeakPolarHBondContact CG2-O 3.45Å; V10-D37 WeakPolarHBondContact CB-O 3.5Å
11E90.4Very high82.1Confident98 Ų9863.4 Ų63.446%0.45834%0.34SS..  trans-119.576.8178.7-60.4-168.790.500112.3P9 D13 K14 I15P9-E11 PolarHBondContact O-N 3.29Å; E11-D13 VanDerWaalsContact C-N 3.28Å; E11-D13 PolarHBondContact O-N 2.84Å; E11-D13 VanDerWaalsContact O-N 3.13Å; E11-K14 HydrophobicContact CB-CB 4.28Å; E11-K14 HydrophobicContact CB-CD 4.08Å; E11-K14 HydrophobicContact CB-CG 4.36Å; E11-K14 HydrophobicContact CG-CD 4.49Å; E11-K14 PolarHBondContact O-N 3.5Å; E11-K14 WeakPolarHBondContact OE1-CE 3.26Å; E11-K14 IonicContact OE1-NZ 3.94Å; E11-K14 PolarHBondContact OE1-NZ 3.28Å; E11-K14 WeakPolarHBondContact OE2-CD 3.42Å; E11-K14 IonicContact OE2-NZ 2.88Å; E11-K14 PolarHBondContact OE2-NZ 3.12Å; E11-I15 WeakPolarHBondContact O-CG1 3.39Å; E11-I15 PolarHBondContact O-N 3.17Å
12P89.9Confident83.7Confident8 Ų863.6 Ų63.65%0.05233%0.33CS..Hα-helixtrans-53.2-37.2-172.8-31.738.4000115.1V10 I15 L16 G41 D44 L45 K48V10-P12 VanDerWaalsContact O-CD 3.29Å; V10-P12 WeakPolarHBondContact O-CD 3.15Å; P12-I15 PolarHBondContact O-N 2.57Å; P12-L16 WeakPolarHBondContact O-CB 3.19Å; P12-L16 VanDerWaalsContact O-CG 3.28Å; P12-L16 WeakPolarHBondContact O-CG 3.48Å; P12-L16 PolarHBondContact O-N 3.3Å; P12-G41 VanDerWaalsContact CG-O 3.22Å; P12-G41 WeakPolarHBondContact CG-O 2.91Å; P12-D44 WeakPolarHBondContact CB-OD2 3.29Å; P12-D44 HydrophobicContact CG-CB 4.08Å; P12-D44 WeakPolarHBondContact CG-OD2 3.5Å; P12-L45 HydrophobicContact CB-CB 3.95Å; P12-L45 HydrophobicContact CB-CD1 4.16Å; P12-L45 HydrophobicContact CG-CB 4.05Å; P12-K48 HydrophobicContact CB-CD 4.36Å
13D92.1Very high85Confident105 Ų10562.4 Ų62.456%0.56133%0.328SS*.Hα-helixtrans-68.3-42.5-178.5-70.5-42.1000113E11 I15 S17 K48E11-D13 VanDerWaalsContact C-N 3.28Å; E11-D13 PolarHBondContact O-N 2.84Å; E11-D13 VanDerWaalsContact O-N 3.13Å; D13-I15 VanDerWaalsContact C-N 3.27Å; D13-I15 PolarHBondContact O-N 2.84Å; D13-S17 VanDerWaalsContact O-CB 3.28Å; D13-S17 WeakPolarHBondContact O-CB 3.29Å; D13-S17 PolarHBondContact O-N 3.11Å; D13-K48 WeakPolarHBondContact OD1-CE 3.18Å; D13-K48 IonicContact OD1-NZ 2.84Å; D13-K48 PolarHBondContact OD1-NZ 2.72Å; D13-K48 IonicContact OD2-NZ 3.85Å; D13-K48 PolarHBondContact OD2-NZ 3.07Å
14K91.1Very high86.2Confident132 Ų13262.1 Ų62.157%0.57432%0.324SS*.Hα-helixtrans-62.8-41176-71.5-178.9179163.10110.7E11 A18E11-K14 HydrophobicContact CB-CB 4.28Å; E11-K14 HydrophobicContact CB-CD 4.08Å; E11-K14 HydrophobicContact CB-CG 4.36Å; E11-K14 HydrophobicContact CG-CD 4.49Å; E11-K14 PolarHBondContact O-N 3.5Å; E11-K14 WeakPolarHBondContact OE1-CE 3.26Å; E11-K14 IonicContact OE1-NZ 3.94Å; E11-K14 PolarHBondContact OE1-NZ 3.28Å; E11-K14 WeakPolarHBondContact OE2-CD 3.42Å; E11-K14 IonicContact OE2-NZ 2.88Å; E11-K14 PolarHBondContact OE2-NZ 3.12Å; K14-A18 WeakPolarHBondContact O-CB 3.42Å; K14-A18 PolarHBondContact O-N 2.9Å
15I88.8Confident86.7Confident30 Ų3063.6 Ų63.615%0.15433%0.326CS..Hα-helixtrans-64.9-53179.2-74.2173.5000111.3L6 P9 E11 P12 D13 S17 A18 V19 L45L6-I15 HydrophobicContact CD1-CB 4.47Å; L6-I15 HydrophobicContact CD1-CD1 4.41Å; L6-I15 HydrophobicContact CD1-CG2 3.14Å; L6-I15 HydrophobicContact CD2-CG2 3.94Å; L6-I15 HydrophobicContact CG-CG2 4.17Å; P9-I15 VanDerWaalsContact CA-CD1 3.43Å; P9-I15 HydrophobicContact CB-CD1 3.2Å; E11-I15 WeakPolarHBondContact O-CG1 3.39Å; E11-I15 PolarHBondContact O-N 3.17Å; P12-I15 PolarHBondContact O-N 2.57Å; D13-I15 VanDerWaalsContact C-N 3.27Å; D13-I15 PolarHBondContact O-N 2.84Å; I15-S17 VanDerWaalsContact C-N 3.25Å; I15-S17 PolarHBondContact O-N 3.19Å; I15-A18 PolarHBondContact O-N 2.97Å; I15-A18 VanDerWaalsContact O-N 3.1Å; I15-V19 HydrophobicContact CG2-CG2 4.38Å; I15-V19 WeakPolarHBondContact O-CB 3.45Å; I15-V19 VanDerWaalsContact O-CG2 3.31Å; I15-V19 WeakPolarHBondContact O-CG2 3.43Å; I15-V19 PolarHBondContact O-N 3.43Å; I15-L45 HydrophobicContact CG2-CD1 4.38Å; I15-L45 HydrophobicContact CG2-CD2 4.22Å
16L88.3Confident87.4Confident13 Ų1361.6 Ų61.67%0.06832%0.317CS..Hα-helixtrans-61.8-37.4-179.9-73171.4000111.5P12 T20 L45 K48P12-L16 WeakPolarHBondContact O-CB 3.19Å; P12-L16 VanDerWaalsContact O-CG 3.28Å; P12-L16 WeakPolarHBondContact O-CG 3.48Å; P12-L16 PolarHBondContact O-N 3.3Å; L16-T20 VanDerWaalsContact O-CB 3.29Å; L16-T20 WeakPolarHBondContact O-CB 3.47Å; L16-T20 PolarHBondContact O-N 3.27Å; L16-T20 PolarHBondContact O-OG1 3.36Å; L16-L45 HydrophobicContact CD1-CD1 3.89Å; L16-L45 HydrophobicContact CD2-CD1 3.6Å; L16-L45 HydrophobicContact CG-CD1 3.54Å; L16-K48 HydrophobicContact CD1-CB 3.49Å; L16-K48 VanDerWaalsContact CD1-CB 3.49Å; L16-K48 HydrophobicContact CD1-CD 3.73Å; L16-K48 HydrophobicContact CD1-CG 4.19Å
17S90.1Very high87.7Confident57 Ų5762.9 Ų62.940%0.39932%0.322SS..Hα-helixtrans-60.4-48.2172.5-173.10000111.4D13 I15 T20 Q21D13-S17 VanDerWaalsContact O-CB 3.28Å; D13-S17 WeakPolarHBondContact O-CB 3.29Å; D13-S17 PolarHBondContact O-N 3.11Å; I15-S17 VanDerWaalsContact C-N 3.25Å; I15-S17 PolarHBondContact O-N 3.19Å; S17-T20 PolarHBondContact O-N 3Å; S17-Q21 WeakPolarHBondContact O-CB 3.27Å; S17-Q21 VanDerWaalsContact O-CG 3.23Å; S17-Q21 WeakPolarHBondContact O-CG 3.41Å; S17-Q21 PolarHBondContact O-N 2.79Å; S17-Q21 PolarHBondContact OG-NE2 2.8Å
18A89.9Confident88Confident39 Ų3960.8 Ų60.832%0.32231%0.313SS..Hα-helixtrans-64.5-42.3178.200000113K14 I15 Q21 R22K14-A18 WeakPolarHBondContact O-CB 3.42Å; K14-A18 PolarHBondContact O-N 2.9Å; I15-A18 PolarHBondContact O-N 2.97Å; I15-A18 VanDerWaalsContact O-N 3.1Å; A18-Q21 PolarHBondContact O-N 2.88Å; A18-R22 WeakPolarHBondContact O-CB 3.17Å; A18-R22 VanDerWaalsContact O-CG 3.3Å; A18-R22 WeakPolarHBondContact O-CG 3.27Å; A18-R22 PolarHBondContact O-N 2.99Å; A18-R22 VanDerWaalsContact O-N 3.11Å
19V86.8Confident88.2Confident16 Ų1660 Ų6010%0.09731%0.308CS..Hα-helixtrans-60.1-47.1175.8168.90000110.3I15 R22 G23 L24I15-V19 HydrophobicContact CG2-CG2 4.38Å; I15-V19 WeakPolarHBondContact O-CB 3.45Å; I15-V19 VanDerWaalsContact O-CG2 3.31Å; I15-V19 WeakPolarHBondContact O-CG2 3.43Å; I15-V19 PolarHBondContact O-N 3.43Å; V19-R22 PolarHBondContact O-N 3.05Å; V19-G23 PolarHBondContact O-N 3.37Å; V19-L24 HydrophobicContact CG1-CB 4.15Å; V19-L24 WeakPolarHBondContact CG1-O 3.27Å; V19-L24 PolarHBondContact O-N 2.95Å
20T86.7Confident88.5Confident95 Ų9560 Ų6058%0.58331%0.309SS*.Hα-helixtrans-64.1-48.3178.9-56.40000111.6L16 S17 R22 G23L16-T20 VanDerWaalsContact O-CB 3.29Å; L16-T20 WeakPolarHBondContact O-CB 3.47Å; L16-T20 PolarHBondContact O-N 3.27Å; L16-T20 PolarHBondContact O-OG1 3.36Å; S17-T20 PolarHBondContact O-N 3Å; T20-R22 PolarHBondContact O-N 3.47Å; T20-G23 PolarHBondContact O-N 3.48Å; T20-G23 VanDerWaalsContact O-N 3.07Å
21Q90Very high88.8Confident155 Ų15556.8 Ų56.872%0.72429%0.289SS*.Hα-helixtrans-59.7-32.4179.8-75.9174.630.300112.8S17 A18S17-Q21 WeakPolarHBondContact O-CB 3.27Å; S17-Q21 VanDerWaalsContact O-CG 3.23Å; S17-Q21 WeakPolarHBondContact O-CG 3.41Å; S17-Q21 PolarHBondContact O-N 2.79Å; S17-Q21 PolarHBondContact OG-NE2 2.8Å; A18-Q21 PolarHBondContact O-N 2.88Å
22R88.4Confident89Confident193 Ų19352.1 Ų52.173%0.72827%0.267SS*.THydrogen-bonded Turntrans-90.7-0.6179.8-65.3178.8-178.6-162.40.8113.7A18 V19 T20 L24A18-R22 WeakPolarHBondContact O-CB 3.17Å; A18-R22 VanDerWaalsContact O-CG 3.3Å; A18-R22 WeakPolarHBondContact O-CG 3.27Å; A18-R22 PolarHBondContact O-N 2.99Å; A18-R22 VanDerWaalsContact O-N 3.11Å; V19-R22 PolarHBondContact O-N 3.05Å; T20-R22 PolarHBondContact O-N 3.47Å; R22-L24 HydrophobicContact CB-CD1 3.46Å; R22-L24 VanDerWaalsContact CB-CD1 3.46Å; R22-L24 HydrophobicContact CB-CD2 4.44Å; R22-L24 HydrophobicContact CB-CG 3.56Å; R22-L24 HydrophobicContact CG-CD1 4.24Å; R22-L24 PolarHBondContact O-N 3.49Å
23G86Confident89.2Confident42 Ų4251.8 Ų51.843%0.43327%0.265SS..THydrogen-bonded Turntrans63.629.7-177.700000113.5V19 T20V19-G23 PolarHBondContact O-N 3.37Å; T20-G23 PolarHBondContact O-N 3.48Å; T20-G23 VanDerWaalsContact O-N 3.07Å
24L84.6Confident89.3Confident28 Ų2848.2 Ų48.215%0.14725%0.245CC..  trans-92.8154.6-176.9-57173.7000110.1S2 E4 V19 R22S2-L24 WeakPolarHBondContact OG-CD2 3.49Å; E4-L24 HydrophobicContact CG-CB 3.72Å; E4-L24 HydrophobicContact CG-CD1 3.55Å; E4-L24 HydrophobicContact CG-CD2 3.83Å; E4-L24 HydrophobicContact CG-CG 3.84Å; V19-L24 HydrophobicContact CG1-CB 4.15Å; V19-L24 WeakPolarHBondContact CG1-O 3.27Å; V19-L24 PolarHBondContact O-N 2.95Å; R22-L24 HydrophobicContact CB-CD1 3.46Å; R22-L24 VanDerWaalsContact CB-CD1 3.46Å; R22-L24 HydrophobicContact CB-CD2 4.44Å; R22-L24 HydrophobicContact CB-CG 3.56Å; R22-L24 HydrophobicContact CG-CD1 4.24Å; R22-L24 PolarHBondContact O-N 3.49Å
25R82.8Confident89.5Confident105 Ų10544 Ų4440%0.39623%0.227SC..EExtended strand (participates in β ladder)trans-110.8122.4168.7-175.8-178.2178.2-168.70.4109.1S2 S3 E4 E27 L54S2-R25 PolarHBondContact O-N 3.17Å; S3-R25 WeakPolarHBondContact CA-O 3.16Å; E4-R25 PolarHBondContact N-O 3.16Å; R25-E27 PolarHBondContact O-N 2.9Å; R25-L54 HydrophobicContact CG-CD2 4.16Å
26L86.1Confident89.8Confident6 Ų649.4 Ų49.43%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-74.6124.7172.4-176.563.6000110L6 L45 L57L6-L26 HydrophobicContact CB-CD1 4.19Å; L6-L26 HydrophobicContact CD1-CD1 3.31Å; L6-L26 HydrophobicContact CD1-CD2 3.51Å; L6-L26 HydrophobicContact CD1-CG 4.02Å; L6-L26 HydrophobicContact CG-CD1 3.46Å; L6-L26 VanDerWaalsContact CG-CD1 3.46Å; L26-L45 HydrophobicContact CD2-CD1 4.23Å; L26-L45 HydrophobicContact CD2-CD2 3.87Å; L26-L45 HydrophobicContact CD2-CG 4.11Å; L26-L57 HydrophobicContact CD2-CD1 3.86Å; L26-L57 HydrophobicContact CD2-CD2 3.95Å; L26-L57 HydrophobicContact CG-CD1 3.66Å
27E85.4Confident90.1Very high62 Ų6252.2 Ų52.229%0.2927%0.271SS..EExtended strand (participates in β ladder)trans-113.9-30.6-180-71.3-170.717000113.6S3 E4 R25 K58S3-E27 VanDerWaalsContact CB-OE1 3.26Å; S3-E27 WeakPolarHBondContact CB-OE1 3.31Å; S3-E27 VanDerWaalsContact CB-OE2 3.27Å; S3-E27 WeakPolarHBondContact CB-OE2 3.36Å; S3-E27 PolarHBondContact OG-OE1 2.84Å; S3-E27 PolarHBondContact OG-OE2 3.03Å; E4-E27 PolarHBondContact O-N 3.33Å; E4-E27 VanDerWaalsContact O-N 3.17Å; R25-E27 PolarHBondContact O-N 2.9Å; E27-K58 PolarHBondContact O-N 2.75Å
28S89.4Confident90.3Very high6 Ų649.7 Ų49.74%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-150.4153.1178.154.50000113.7Q5 L6 K58Q5-S28 WeakPolarHBondContact CA-O 3.36Å; Q5-S28 VanDerWaalsContact CG-OG 3.28Å; Q5-S28 WeakPolarHBondContact CG-OG 3.43Å; L6-S28 PolarHBondContact N-O 2.99Å; L6-S28 VanDerWaalsContact N-O 3.16Å; S28-K58 CarbonylContact C-O 3.56Å; S28-K58 WeakPolarHBondContact CA-O 3.43Å
29I91.6Very high90.6Very high0 Ų048.2 Ų48.20%024%0.24CC..EExtended strand (participates in β ladder)trans-108128.3168.8-60.5174.2000107.3L6 P9 T31 L45 L57 K58 V59 Y60L6-I29 CarbonylContact O-C 3.52Å; L6-I29 WeakPolarHBondContact O-CA 3.2Å; P9-I29 VanDerWaalsContact CD-CG2 3.47Å; P9-I29 HydrophobicContact CG-CB 4.47Å; P9-I29 HydrophobicContact CG-CD1 3.95Å; P9-I29 HydrophobicContact CG-CG1 4.13Å; P9-I29 HydrophobicContact CG-CG2 3.56Å; I29-T31 WeakPolarHBondContact CG2-OG1 3.22Å; I29-L45 HydrophobicContact CD1-CB 4.35Å; I29-L45 HydrophobicContact CD1-CD2 3.69Å; I29-L45 HydrophobicContact CD1-CG 4.14Å; I29-L45 HydrophobicContact CG1-CD2 4.23Å; I29-L57 HydrophobicContact CD1-CD2 3.84Å; I29-L57 HydrophobicContact CD1-CG 4.4Å; I29-L57 HydrophobicContact CG1-CD1 4.33Å; I29-L57 HydrophobicContact CG1-CD2 4.22Å; I29-L57 HydrophobicContact CG1-CG 4.41Å; I29-K58 PolarHBondContact N-O 3.49Å; I29-V59 HydrophobicContact CB-CG1 4.31Å; I29-V59 HydrophobicContact CB-CG2 4.28Å; I29-V59 HydrophobicContact CD1-CG2 4.04Å; I29-V59 HydrophobicContact CG2-CG1 4.34Å; I29-Y60 PolarHBondContact O-N 3.14Å
30L92.3Very high90.9Very high3 Ų349.5 Ų49.52%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-104.2101.5171.1-57.8-177.5000108L6 Q7 D8 Y60 L81 F87 Y102L6-L30 PolarHBondContact O-N 3Å; Q7-L30 WeakPolarHBondContact CA-O 3.28Å; D8-L30 PolarHBondContact N-O 3.36Å; L30-Y60 HydrophobicContact CD2-CD2 3.75Å; L30-Y60 HydrophobicContact CD2-CG 4.13Å; L30-L81 HydrophobicContact CD1-CD1 4.38Å; L30-L81 HydrophobicContact CD2-CD2 4.32Å; L30-F87 HydrophobicContact CD2-CE1 4.35Å; L30-F87 HydrophobicContact CD2-CZ 4.41Å; L30-Y102 HydrophobicContact CB-CD1 4.34Å; L30-Y102 HydrophobicContact CB-CD2 3.84Å; L30-Y102 HydrophobicContact CB-CE1 4.33Å; L30-Y102 HydrophobicContact CB-CE2 3.84Å; L30-Y102 HydrophobicContact CB-CG 4.1Å; L30-Y102 HydrophobicContact CD1-CD1 4.26Å; L30-Y102 HydrophobicContact CD1-CG 4.06Å; L30-Y102 HydrophobicContact CD2-CD1 4.07Å; L30-Y102 HydrophobicContact CD2-CE1 4.03Å; L30-Y102 HydrophobicContact CG-CD1 4.46Å; L30-Y102 HydrophobicContact CG-CG 4.48Å
31T94.6Very high91.3Very high0 Ų045.2 Ų45.20%023%0.231CC..  trans-95.2121.6179.5-57.50000109.9D8 I29 H33 A39 N42 Y60 I66 Y102D8-T31 WeakPolarHBondContact OD1-CA 3.42Å; I29-T31 WeakPolarHBondContact CG2-OG1 3.22Å; T31-H33 WeakPolarHBondContact CG2-O 3.45Å; T31-A39 HydrophobicContact CG2-CB 3.79Å; T31-N42 PolarHBondContact OG1-ND2 3.21Å; T31-Y60 PolarHBondContact N-O 2.89Å; T31-I66 HydrophobicContact CG2-CD1 3.81Å; T31-I66 HydrophobicContact CG2-CG1 3.95Å; T31-I66 HydrophobicContact CG2-CG2 3.88Å; T31-Y102 WeakPolarHBondContact O-CE2 3.37Å; T31-Y102 PolarHBondContact O-OH 3.47Å
32T94.2Very high91.5Very high0 Ų037.8 Ų37.80%020%0.197CC..  trans-75.3-40-176.862.20000111.6Q7 D8 H99 I100 Y102Q7-T32 HydrophobicContact CG-CG2 4.01Å; D8-T32 PolarHBondContact OD1-N 3.16Å; D8-T32 PolarHBondContact OD1-OG1 3.08Å; D8-T32 VanDerWaalsContact OD2-CG2 3.29Å; D8-T32 WeakPolarHBondContact OD2-CG2 3.28Å; D8-T32 PolarHBondContact OD2-OG1 3.38Å; T32-H99 CarbonylContact O-C 3.5Å; T32-H99 WeakPolarHBondContact O-CA 3.41Å; T32-I100 WeakPolarHBondContact CA-O 3.46Å; T32-I100 WeakPolarHBondContact CB-O 3.39Å; T32-I100 PolarHBondContact O-N 3.21Å; T32-Y102 HydrophobicContact CG2-CD2 4.23Å; T32-Y102 HydrophobicContact CG2-CE2 4.22Å
33H94.1Very high91.8Very high0 Ų033.5 Ų33.50%019%0.188CC..  trans-161.4170.9176.864.1-66.2000112.6T31 H35 H38 H95 T96 H99 D119T31-H33 WeakPolarHBondContact CG2-O 3.45Å; H33-H35 AromaticContact CD2-CG 3.45Å; H33-H35 VanDerWaalsContact CD2-CG 3.45Å; H33-H35 AromaticContact CD2-ND1 3.31Å; H33-H35 PolarHBondContact CD2-ND1 3.44Å; H33-H35 VanDerWaalsContact CD2-ND1 3.31Å; H33-H35 AromaticContact NE2-CG 3.58Å; H33-H35 AromaticContact NE2-ND1 3.19Å; H33-H35 PolarHBondContact NE2-ND1 2.8Å; H33-H35 VanDerWaalsContact NE2-ND1 3.19Å; H33-H35 PolarHBondContact O-N 2.87Å; H33-H38 AromaticContact CE1-CD2 3.11Å; H33-H38 PolarHBondContact CE1-CD2 3.35Å; H33-H38 AromaticContact CE1-CE1 3.52Å; H33-H38 AromaticContact CE1-CG 3.28Å; H33-H38 AromaticContact CE1-ND1 3.51Å; H33-H38 AromaticContact CE1-NE2 3.28Å; H33-H38 PolarHBondContact CE1-NE2 3.03Å; H33-H38 VanDerWaalsContact CE1-NE2 3.28Å; H33-H38 AromaticContact ND1-CD2 4Å; H33-H38 AromaticContact ND1-CG 3.75Å; H33-H38 AromaticContact ND1-ND1 3.94Å; H33-H38 AromaticContact NE2-CD2 3.48Å; H33-H38 PolarHBondContact NE2-CD2 3.34Å; H33-H38 AromaticContact NE2-CG 3.99Å; H33-H38 AromaticContact NE2-NE2 3.83Å; H33-H95 AromaticContact CD2-CD2 3.81Å; H33-H95 AromaticContact NE2-CD2 3.53Å; H33-T96 HydrophobicContact CB-CG2 4.4Å; H33-T96 WeakPolarHBondContact CB-OG1 3.29Å; H33-H99 HydrophobicContact CB-CB 4.31Å; H33-H99 AromaticContact CG-CD2 3.6Å; H33-H99 AromaticContact ND1-CD2 3.6Å; H33-H99 AromaticContact ND1-NE2 3.55Å; H33-D119 IonicContact CE1-OD1 3.88Å; H33-D119 IonicContact NE2-OD2 2.97Å
34H94.7Very high92.2Very high31 Ų3134.6 Ų34.614%0.14418%0.184CC..SBendtrans-79.4-5.7-168.772-94.2000115.7D63 R65 I66 T96 E131H34-D63 HydrophobicContact CB-CB 4.45Å; H34-D63 IonicContact CE1-OD2 2.69Å; H34-D63 IonicContact CG-OD2 3.58Å; H34-D63 IonicContact ND1-OD2 3.99Å; H34-D63 PolarHBondContact ND1-OD2 2.9Å; H34-R65 HydrophobicContact CB-CB 3.58Å; H34-R65 PolarHBondContact CE1-NH1 3.4Å; H34-R65 PolarHBondContact CE1-NH2 2.98Å; H34-R65 VanDerWaalsContact ND1-CZ 3.3Å; H34-R65 PolarHBondContact ND1-NE 2.79Å; H34-R65 PolarHBondContact ND1-NH2 3.39Å; H34-R65 PolarHBondContact NE2-NH1 3.31Å; H34-I66 HydrophobicContact CB-CG1 4.04Å; H34-T96 VanDerWaalsContact CE1-CG2 3.41Å; H34-T96 WeakPolarHBondContact CE1-CG2 3.41Å; H34-E131 IonicContact CE1-OE1 3.68Å
35H95.4Very high92.6Very high44 Ų4433.3 Ų33.320%0.20418%0.177CC..SBendtrans-60.9145.1179.7-69.1162000110.9H33 D37 H38 A39 H95 T96 F130H33-H35 AromaticContact CD2-CG 3.45Å; H33-H35 VanDerWaalsContact CD2-CG 3.45Å; H33-H35 AromaticContact CD2-ND1 3.31Å; H33-H35 PolarHBondContact CD2-ND1 3.44Å; H33-H35 VanDerWaalsContact CD2-ND1 3.31Å; H33-H35 AromaticContact NE2-CG 3.58Å; H33-H35 AromaticContact NE2-ND1 3.19Å; H33-H35 PolarHBondContact NE2-ND1 2.8Å; H33-H35 VanDerWaalsContact NE2-ND1 3.19Å; H33-H35 PolarHBondContact O-N 2.87Å; H35-D37 VanDerWaalsContact C-N 3.26Å; H35-D37 VanDerWaalsContact CB-OD1 3.29Å; H35-D37 WeakPolarHBondContact CB-OD1 3.41Å; H35-D37 PolarHBondContact O-N 2.8Å; H35-H38 PolarHBondContact O-N 3.39Å; H35-A39 PolarHBondContact O-N 2.85Å; H35-H95 AromaticContact CE1-CD2 3.39Å; H35-H95 PolarHBondContact CE1-CD2 2.76Å; H35-H95 AromaticContact CE1-NE2 3.11Å; H35-H95 PolarHBondContact CE1-NE2 3.13Å; H35-H95 AromaticContact ND1-CD2 3.43Å; H35-H95 PolarHBondContact ND1-CD2 3.39Å; H35-H95 AromaticContact ND1-NE2 3.16Å; H35-H95 PolarHBondContact ND1-NE2 2.88Å; H35-H95 VanDerWaalsContact ND1-NE2 3.16Å; H35-T96 WeakPolarHBondContact NE2-CG2 3.23Å; H35-F130 AromaticContact CE1-CD2 3.99Å
36L94.6Very high93.1Very high143 Ų14329.2 Ų29.275%0.74916%0.164SC*.Hα-helixtrans-63-31.8-168.6-69.9176.4000113.2V10 H38 G40V10-L36 WeakPolarHBondContact CG2-O 3.45Å; L36-H38 PolarHBondContact O-N 2.95Å; L36-G40 WeakPolarHBondContact O-CA 3.39Å; L36-G40 PolarHBondContact O-N 3.05Å
37D94.3Very high93.4Very high72 Ų7231.6 Ų31.639%0.38518%0.178SC..Hα-helixtrans-69.5-7.1175.656.5-41.2000113.8V10 H35 H158V10-D37 WeakPolarHBondContact CB-O 3.5Å; H35-D37 VanDerWaalsContact C-N 3.26Å; H35-D37 VanDerWaalsContact CB-OD1 3.29Å; H35-D37 WeakPolarHBondContact CB-OD1 3.41Å; H35-D37 PolarHBondContact O-N 2.8Å; D37-H158 IonicContact OD2-CE1 3.53Å; D37-H158 PolarHBondContact OD2-CE1 2.81Å; D37-H158 IonicContact OD2-NE2 2.7Å; D37-H158 PolarHBondContact OD2-NE2 3.11Å
38H94.7Very high93.7Very high4 Ų430.6 Ų30.62%0.01917%0.173CC..Hα-helixtrans-116.8-47.4174.4-64.5-97.8000112.8D8 H33 H35 L36 D119 H158D8-H38 CarbonylContact C-O 3.48Å; D8-H38 VanDerWaalsContact C-O 3.24Å; D8-H38 VanDerWaalsContact CA-O 3.29Å; D8-H38 WeakPolarHBondContact CA-O 3.43Å; D8-H38 HydrophobicContact CB-CB 3.88Å; D8-H38 VanDerWaalsContact CG-ND1 3.33Å; D8-H38 IonicContact OD2-CE1 3.52Å; D8-H38 IonicContact OD2-CG 3.36Å; D8-H38 IonicContact OD2-ND1 3.9Å; D8-H38 PolarHBondContact OD2-ND1 2.74Å; H33-H38 AromaticContact CE1-CD2 3.11Å; H33-H38 PolarHBondContact CE1-CD2 3.35Å; H33-H38 AromaticContact CE1-CE1 3.52Å; H33-H38 AromaticContact CE1-CG 3.28Å; H33-H38 AromaticContact CE1-ND1 3.51Å; H33-H38 AromaticContact CE1-NE2 3.28Å; H33-H38 PolarHBondContact CE1-NE2 3.03Å; H33-H38 VanDerWaalsContact CE1-NE2 3.28Å; H33-H38 AromaticContact ND1-CD2 4Å; H33-H38 AromaticContact ND1-CG 3.75Å; H33-H38 AromaticContact ND1-ND1 3.94Å; H33-H38 AromaticContact NE2-CD2 3.48Å; H33-H38 PolarHBondContact NE2-CD2 3.34Å; H33-H38 AromaticContact NE2-CG 3.99Å; H33-H38 AromaticContact NE2-NE2 3.83Å; H35-H38 PolarHBondContact O-N 3.39Å; L36-H38 PolarHBondContact O-N 2.95Å; H38-D119 IonicContact CE1-OD1 2.97Å; H38-D119 PolarHBondContact CE1-OD1 3.3Å; H38-D119 IonicContact NE2-OD1 3.92Å; H38-D119 PolarHBondContact NE2-OD1 3.38Å; H38-D119 VanDerWaalsContact NE2-OD1 3.1Å; H38-D119 IonicContact NE2-OD2 3.78Å; H38-H158 AromaticContact CE1-NE2 3.71Å; H38-H158 AromaticContact NE2-CD2 3.94Å; H38-H158 AromaticContact NE2-CE1 3.94Å; H38-H158 AromaticContact NE2-NE2 3.09Å; H38-H158 PolarHBondContact NE2-NE2 2.81Å
39A95.7Very high93.7Very high7 Ų730.3 Ų30.36%0.05817%0.171CC..Hα-helixtrans-97.6-12.1-174.500000114.1T31 H35 G41 N42 I66T31-A39 HydrophobicContact CG2-CB 3.79Å; H35-A39 PolarHBondContact O-N 2.85Å; A39-G41 VanDerWaalsContact C-N 3.25Å; A39-G41 PolarHBondContact O-N 2.77Å; A39-N42 WeakPolarHBondContact O-CB 3.31Å; A39-N42 PolarHBondContact O-N 3.24Å; A39-N42 VanDerWaalsContact O-N 3.13Å; A39-I66 HydrophobicContact CB-CG2 4.47Å
40G94.3Very high93.6Very high44 Ų4437.9 Ų37.945%0.45420%0.2SC..THydrogen-bonded Turntrans-63.9-25.2-167.800000114.8L36L36-G40 WeakPolarHBondContact O-CA 3.39Å; L36-G40 PolarHBondContact O-N 3.05Å
41G94.3Very high93.5Very high4 Ų446 Ų464%0.04124%0.235CC..THydrogen-bonded Turntrans-89.6-9.4178.400000114.9P9 P12 A39 L43 D44 L45P9-G41 VanDerWaalsContact O-CA 3.28Å; P9-G41 WeakPolarHBondContact O-CA 2.97Å; P12-G41 VanDerWaalsContact CG-O 3.22Å; P12-G41 WeakPolarHBondContact CG-O 2.91Å; A39-G41 VanDerWaalsContact C-N 3.25Å; A39-G41 PolarHBondContact O-N 2.77Å; G41-L43 PolarHBondContact O-N 3Å; G41-D44 PolarHBondContact O-N 3.4Å; G41-L45 WeakPolarHBondContact O-CB 3.43Å; G41-L45 PolarHBondContact O-N 3.22Å
42N94.8Very high93.1Very high0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-57.7-51.5-171.2-73.31.4000113.5P9 T31 A39 D44 L45 V46 I66 G67P9-N42 WeakPolarHBondContact CD-OD1 3.29Å; P9-N42 WeakPolarHBondContact CG-OD1 3.49Å; T31-N42 PolarHBondContact OG1-ND2 3.21Å; A39-N42 WeakPolarHBondContact O-CB 3.31Å; A39-N42 PolarHBondContact O-N 3.24Å; A39-N42 VanDerWaalsContact O-N 3.13Å; N42-D44 VanDerWaalsContact C-N 3.34Å; N42-D44 PolarHBondContact O-N 3.14Å; N42-L45 PolarHBondContact O-N 3.46Å; N42-V46 VanDerWaalsContact O-CG2 3.28Å; N42-V46 WeakPolarHBondContact O-CG2 3.41Å; N42-V46 PolarHBondContact O-N 2.87Å; N42-I66 WeakPolarHBondContact ND2-CG2 3.37Å; N42-G67 WeakPolarHBondContact CB-O 3.45Å; N42-G67 PolarHBondContact ND2-O 2.8Å
43L93.8Very high92.6Very high102 Ų10254.2 Ų54.253%0.53429%0.289SS..Hα-helixtrans-63.2-40.1-177.7-78171.3000112.3G41 T47 G68G41-L43 PolarHBondContact O-N 3Å; L43-T47 WeakPolarHBondContact O-CB 3.3Å; L43-T47 PolarHBondContact O-N 2.82Å; L43-T47 PolarHBondContact O-OG1 3.16Å; L43-G68 VanDerWaalsContact CD2-CA 3.49Å; L43-G68 VanDerWaalsContact CD2-N 3.33Å
44D94.4Very high91.9Very high66 Ų6656.3 Ų56.335%0.35330%0.3SS..Hα-helixtrans-67.4-44177.3179.545.2000110.7P12 G41 N42 V46 T47 K48P12-D44 WeakPolarHBondContact CB-OD2 3.29Å; P12-D44 HydrophobicContact CG-CB 4.08Å; P12-D44 WeakPolarHBondContact CG-OD2 3.5Å; G41-D44 PolarHBondContact O-N 3.4Å; N42-D44 VanDerWaalsContact C-N 3.34Å; N42-D44 PolarHBondContact O-N 3.14Å; D44-V46 PolarHBondContact O-N 3.06Å; D44-T47 PolarHBondContact O-N 2.76Å; D44-K48 WeakPolarHBondContact O-CB 3.43Å; D44-K48 WeakPolarHBondContact O-CG 3.22Å; D44-K48 PolarHBondContact O-N 3.39Å; D44-K48 WeakPolarHBondContact OD1-CE 3Å; D44-K48 IonicContact OD1-NZ 2.74Å; D44-K48 VanDerWaalsContact OD2-CE 3.24Å; D44-K48 WeakPolarHBondContact OD2-CE 3.37Å; D44-K48 IonicContact OD2-NZ 3.77Å; D44-K48 PolarHBondContact OD2-NZ 3.24Å
45L93.1Very high91.2Very high0 Ų062.3 Ų62.30%033%0.328CS..Hα-helixtrans-61.1-47176.3-173.853.5000112.1L6 P9 P12 I15 L16 L26 I29 G41 N42 T47 K48 C49 L57L6-L45 HydrophobicContact CD1-CD2 3.83Å; P9-L45 HydrophobicContact CB-CD2 3.69Å; P9-L45 HydrophobicContact CG-CD2 3.82Å; P12-L45 HydrophobicContact CB-CB 3.95Å; P12-L45 HydrophobicContact CB-CD1 4.16Å; P12-L45 HydrophobicContact CG-CB 4.05Å; I15-L45 HydrophobicContact CG2-CD1 4.38Å; I15-L45 HydrophobicContact CG2-CD2 4.22Å; L16-L45 HydrophobicContact CD1-CD1 3.89Å; L16-L45 HydrophobicContact CD2-CD1 3.6Å; L16-L45 HydrophobicContact CG-CD1 3.54Å; L26-L45 HydrophobicContact CD2-CD1 4.23Å; L26-L45 HydrophobicContact CD2-CD2 3.87Å; L26-L45 HydrophobicContact CD2-CG 4.11Å; I29-L45 HydrophobicContact CD1-CB 4.35Å; I29-L45 HydrophobicContact CD1-CD2 3.69Å; I29-L45 HydrophobicContact CD1-CG 4.14Å; I29-L45 HydrophobicContact CG1-CD2 4.23Å; G41-L45 WeakPolarHBondContact O-CB 3.43Å; G41-L45 PolarHBondContact O-N 3.22Å; N42-L45 PolarHBondContact O-N 3.46Å; L45-T47 VanDerWaalsContact C-N 3.3Å; L45-T47 PolarHBondContact O-N 3.38Å; L45-K48 PolarHBondContact O-N 3.48Å; L45-C49 WeakPolarHBondContact O-CB 3.47Å; L45-C49 PolarHBondContact O-N 3.11Å; L45-C49 PolarHBondContact O-SG 3.48Å; L45-C49 VanDerWaalsContact O-SG 3.4Å; L45-L57 HydrophobicContact CG-CD2 4.37Å
46V92.8Very high90.6Very high20 Ų2063.5 Ų63.512%0.12135%0.353CS..Hα-helixtrans-57.5-44.4174.3169.90000111N42 D44 R50 L57 V59N42-V46 VanDerWaalsContact O-CG2 3.28Å; N42-V46 WeakPolarHBondContact O-CG2 3.41Å; N42-V46 PolarHBondContact O-N 2.87Å; D44-V46 PolarHBondContact O-N 3.06Å; V46-R50 WeakPolarHBondContact O-CB 3.36Å; V46-R50 PolarHBondContact O-N 2.98Å; V46-L57 HydrophobicContact CG2-CD2 3.96Å; V46-L57 HydrophobicContact CG2-CG 4.46Å; V46-V59 HydrophobicContact CG2-CG2 3.74Å
47T93Very high90.3Very high55 Ų5557.5 Ų57.534%0.33732%0.321SS..Hα-helixtrans-64.7-43.8179.5-61.30000111.7L43 D44 L45 R50 K51L43-T47 WeakPolarHBondContact O-CB 3.3Å; L43-T47 PolarHBondContact O-N 2.82Å; L43-T47 PolarHBondContact O-OG1 3.16Å; D44-T47 PolarHBondContact O-N 2.76Å; L45-T47 VanDerWaalsContact C-N 3.3Å; L45-T47 PolarHBondContact O-N 3.38Å; T47-R50 PolarHBondContact O-N 2.92Å; T47-K51 HydrophobicContact CG2-CD 4.44Å; T47-K51 WeakPolarHBondContact O-CG 3.49Å; T47-K51 PolarHBondContact O-N 3.21Å
48K92Very high90.2Very high41 Ų4158 Ų5818%0.17832%0.32CS..Hα-helixtrans-67.2-43.5178.5-74.1173.2175.2167.50112.1P12 D13 L16 D44 L45 R50 K51 Q52P12-K48 HydrophobicContact CB-CD 4.36Å; D13-K48 WeakPolarHBondContact OD1-CE 3.18Å; D13-K48 IonicContact OD1-NZ 2.84Å; D13-K48 PolarHBondContact OD1-NZ 2.72Å; D13-K48 IonicContact OD2-NZ 3.85Å; D13-K48 PolarHBondContact OD2-NZ 3.07Å; L16-K48 HydrophobicContact CD1-CB 3.49Å; L16-K48 VanDerWaalsContact CD1-CB 3.49Å; L16-K48 HydrophobicContact CD1-CD 3.73Å; L16-K48 HydrophobicContact CD1-CG 4.19Å; D44-K48 WeakPolarHBondContact O-CB 3.43Å; D44-K48 WeakPolarHBondContact O-CG 3.22Å; D44-K48 PolarHBondContact O-N 3.39Å; D44-K48 WeakPolarHBondContact OD1-CE 3Å; D44-K48 IonicContact OD1-NZ 2.74Å; D44-K48 VanDerWaalsContact OD2-CE 3.24Å; D44-K48 WeakPolarHBondContact OD2-CE 3.37Å; D44-K48 IonicContact OD2-NZ 3.77Å; D44-K48 PolarHBondContact OD2-NZ 3.24Å; L45-K48 PolarHBondContact O-N 3.48Å; K48-R50 PolarHBondContact O-N 3.27Å; K48-K51 WeakPolarHBondContact O-CB 3.44Å; K48-K51 PolarHBondContact O-N 3.39Å; K48-Q52 WeakPolarHBondContact O-CG 3.4Å; K48-Q52 PolarHBondContact O-N 3.37Å; K48-Q52 VanDerWaalsContact O-N 3.14Å
49C89.3Confident90.1Very high1 Ų157.9 Ų57.91%0.00732%0.319CS..Hα-helixtrans-58.5-46.6173.6-75.60000111.5L45 K51 Q52 G53 L54 L57L45-C49 WeakPolarHBondContact O-CB 3.47Å; L45-C49 PolarHBondContact O-N 3.11Å; L45-C49 PolarHBondContact O-SG 3.48Å; L45-C49 VanDerWaalsContact O-SG 3.4Å; C49-K51 VanDerWaalsContact C-N 3.32Å; C49-K51 PolarHBondContact O-N 3.49Å; C49-Q52 CarbonylContact O-C 3.59Å; C49-Q52 WeakPolarHBondContact O-CA 3.38Å; C49-Q52 PolarHBondContact O-N 3.05Å; C49-G53 PolarHBondContact O-N 3.39Å; C49-L54 CarbonylContact C-O 3.55Å; C49-L54 HydrophobicContact CB-CB 4.02Å; C49-L54 WeakPolarHBondContact O-CB 3.36Å; C49-L54 PolarHBondContact O-N 2.69Å; C49-L57 HydrophobicContact CB-CD2 4.22Å
50R89.8Confident90Very high159 Ų15958.1 Ų58.160%0.632%0.319SS*.Hα-helixtrans-58.5-42.5176.3-171.3-177.3-65139.91112V46 T47 K48 Q52 G53V46-R50 WeakPolarHBondContact O-CB 3.36Å; V46-R50 PolarHBondContact O-N 2.98Å; T47-R50 PolarHBondContact O-N 2.92Å; K48-R50 PolarHBondContact O-N 3.27Å; R50-Q52 PolarHBondContact O-N 2.82Å; R50-G53 PolarHBondContact O-N 3.2Å
51K89.7Confident90Very high173 Ų17356 Ų5675%0.75230%0.297SS*.Hα-helixtrans-62.8-24.8175.7-74.2174.3179.3178.50113.5T47 K48 C49 G53T47-K51 HydrophobicContact CG2-CD 4.44Å; T47-K51 WeakPolarHBondContact O-CG 3.49Å; T47-K51 PolarHBondContact O-N 3.21Å; K48-K51 WeakPolarHBondContact O-CB 3.44Å; K48-K51 PolarHBondContact O-N 3.39Å; C49-K51 VanDerWaalsContact C-N 3.32Å; C49-K51 PolarHBondContact O-N 3.49Å; K51-G53 VanDerWaalsContact C-N 3.33Å
52Q85.7Confident89.8Confident112 Ų11256.7 Ų56.752%0.52330%0.304SS..THydrogen-bonded Turntrans-90.47.8175.5-65.5177.95.900113.2K48 C49 R50 L54K48-Q52 WeakPolarHBondContact O-CG 3.4Å; K48-Q52 PolarHBondContact O-N 3.37Å; K48-Q52 VanDerWaalsContact O-N 3.14Å; C49-Q52 CarbonylContact O-C 3.59Å; C49-Q52 WeakPolarHBondContact O-CA 3.38Å; C49-Q52 PolarHBondContact O-N 3.05Å; R50-Q52 PolarHBondContact O-N 2.82Å; Q52-L54 VanDerWaalsContact C-N 3.26Å; Q52-L54 PolarHBondContact O-N 3.26Å
53G84.1Confident89.7Confident60 Ų6057.4 Ų57.462%0.61931%0.308SS*.THydrogen-bonded Turntrans76.59.8-177.300000114.1C49 R50 K51 E55C49-G53 PolarHBondContact O-N 3.39Å; R50-G53 PolarHBondContact O-N 3.2Å; K51-G53 VanDerWaalsContact C-N 3.33Å; G53-E55 PolarHBondContact O-N 3.4Å; G53-E55 VanDerWaalsContact O-N 3.16Å
54L79.9Confident89.8Confident44 Ų4459.2 Ų59.223%0.2332%0.318CS..  trans-85.381.2172.3-61.6173.5000108.9R25 C49 Q52R25-L54 HydrophobicContact CG-CD2 4.16Å; C49-L54 CarbonylContact C-O 3.55Å; C49-L54 HydrophobicContact CB-CB 4.02Å; C49-L54 WeakPolarHBondContact O-CB 3.36Å; C49-L54 PolarHBondContact O-N 2.69Å; Q52-L54 VanDerWaalsContact C-N 3.26Å; Q52-L54 PolarHBondContact O-N 3.26Å
55E79.2Confident89.8Confident157 Ų15761.5 Ų61.573%0.73432%0.322SS*.THydrogen-bonded Turntrans-75.6152.4171.6-63.9-171.4166.600111.5G53G53-E55 PolarHBondContact O-N 3.4Å; G53-E55 VanDerWaalsContact O-N 3.16Å
56G82.8Confident89.9Confident69 Ų6961.8 Ų61.871%0.71132%0.324SS*.THydrogen-bonded Turntrans83.817.8171.400000116.2K58G56-K58 PolarHBondContact O-N 3.03Å; G56-K58 VanDerWaalsContact O-N 3.11Å
57L88.9Confident89.9Confident18 Ų1862 Ų629%0.09433%0.329CS..  trans-58.8115.9171.6-178.360.3000110L26 I29 L45 V46 C49L26-L57 HydrophobicContact CD2-CD1 3.86Å; L26-L57 HydrophobicContact CD2-CD2 3.95Å; L26-L57 HydrophobicContact CG-CD1 3.66Å; I29-L57 HydrophobicContact CD1-CD2 3.84Å; I29-L57 HydrophobicContact CD1-CG 4.4Å; I29-L57 HydrophobicContact CG1-CD1 4.33Å; I29-L57 HydrophobicContact CG1-CD2 4.22Å; I29-L57 HydrophobicContact CG1-CG 4.41Å; L45-L57 HydrophobicContact CG-CD2 4.37Å; V46-L57 HydrophobicContact CG2-CD2 3.96Å; V46-L57 HydrophobicContact CG2-CG 4.46Å; C49-L57 HydrophobicContact CB-CD2 4.22Å
58K91.3Very high89.9Confident83 Ų8360.4 Ų60.436%0.36132%0.324SS..EExtended strand (participates in β ladder)trans-85.6137.3177.5-69-170.5164.9-139.10111.2E27 S28 I29 G56 Y60 T70 D71E27-K58 PolarHBondContact O-N 2.75Å; S28-K58 CarbonylContact C-O 3.56Å; S28-K58 WeakPolarHBondContact CA-O 3.43Å; I29-K58 PolarHBondContact N-O 3.49Å; G56-K58 PolarHBondContact O-N 3.03Å; G56-K58 VanDerWaalsContact O-N 3.11Å; K58-Y60 HydrophobicContact CB-CD2 4.27Å; K58-Y60 HydrophobicContact CB-CE2 3.73Å; K58-Y60 HydrophobicContact CD-CE2 4.04Å; K58-Y60 WeakPolarHBondContact CD-OH 3.35Å; K58-T70 WeakPolarHBondContact CA-OG1 3.28Å; K58-D71 IonicContact NZ-OD1 3.1Å; K58-D71 PolarHBondContact NZ-OD1 2.87Å; K58-D71 IonicContact NZ-OD2 3.11Å
59V93.4Very high90.1Very high0 Ų060.5 Ų60.50%033%0.326CS..EExtended strand (participates in β ladder)trans-116.9109.7172.7-174.20000107.7I29 V46 I66 G68 L69 T70 D71I29-V59 HydrophobicContact CB-CG1 4.31Å; I29-V59 HydrophobicContact CB-CG2 4.28Å; I29-V59 HydrophobicContact CD1-CG2 4.04Å; I29-V59 HydrophobicContact CG2-CG1 4.34Å; V46-V59 HydrophobicContact CG2-CG2 3.74Å; V59-I66 HydrophobicContact CG1-CG2 4.24Å; V59-G68 VanDerWaalsContact CB-O 3.22Å; V59-G68 WeakPolarHBondContact CB-O 3.38Å; V59-G68 WeakPolarHBondContact CG2-O 3.4Å; V59-L69 WeakPolarHBondContact O-CD1 3.43Å; V59-T70 PolarHBondContact N-OG1 2.86Å; V59-T70 PolarHBondContact O-N 3.19Å; V59-T70 PolarHBondContact O-OG1 3.4Å; V59-D71 PolarHBondContact O-N 3.02Å
60Y93.3Very high90.3Very high13 Ų1364.1 Ų64.15%0.05135%0.349CS..EExtended strand (participates in β ladder)trans-93.1139.2176.5-63.6-85.9000110.4I29 L30 T31 K58 D71 V73 Y77 F87 Y102I29-Y60 PolarHBondContact O-N 3.14Å; L30-Y60 HydrophobicContact CD2-CD2 3.75Å; L30-Y60 HydrophobicContact CD2-CG 4.13Å; T31-Y60 PolarHBondContact N-O 2.89Å; K58-Y60 HydrophobicContact CB-CD2 4.27Å; K58-Y60 HydrophobicContact CB-CE2 3.73Å; K58-Y60 HydrophobicContact CD-CE2 4.04Å; K58-Y60 WeakPolarHBondContact CD-OH 3.35Å; Y60-D71 WeakPolarHBondContact CA-O 3.41Å; Y60-D71 HydrophobicContact CD1-CB 3.36Å; Y60-D71 HydrophobicContact CE1-CB 3.45Å; Y60-D71 VanDerWaalsContact CE1-CB 3.45Å; Y60-D71 HydrophobicContact CG-CB 4.19Å; Y60-V73 HydrophobicContact CD1-CG1 3.6Å; Y60-V73 HydrophobicContact CG-CG1 4.34Å; Y60-Y77 HydrophobicContact CD1-CE1 4.42Å; Y60-Y77 HydrophobicContact CE1-CE1 4.19Å; Y60-F87 HydrophobicContact CD1-CE1 4.38Å; Y60-F87 AromaticContact CD1-CZ 3.68Å; Y60-F87 HydrophobicContact CD1-CZ 3.68Å; Y60-F87 HydrophobicContact CD2-CE1 4.42Å; Y60-F87 HydrophobicContact CD2-CZ 4.3Å; Y60-F87 HydrophobicContact CE1-CE1 4.19Å; Y60-F87 AromaticContact CE1-CZ 3.81Å; Y60-F87 HydrophobicContact CE1-CZ 3.81Å; Y60-F87 HydrophobicContact CE2-CE1 4.21Å; Y60-F87 HydrophobicContact CE2-CZ 4.41Å; Y60-F87 HydrophobicContact CG-CE1 4.48Å; Y60-F87 AromaticContact CG-CZ 3.93Å; Y60-F87 HydrophobicContact CG-CZ 3.93Å; Y60-Y102 PolarHBondContact O-OH 2.7Å; Y60-Y102 VanDerWaalsContact O-OH 3.14Å
61G93.3Very high90.4Very high0 Ų058.1 Ų58.10%033%0.328CS..EExtended strand (participates in β ladder)trans-171.3158.8-179.200000112.3L69 D71 T72 V73 Y102G61-L69 VanDerWaalsContact N-CD1 3.32Å; G61-D71 PolarHBondContact N-O 2.72Å; G61-T72 CarbonylContact O-C 3.59Å; G61-T72 VanDerWaalsContact O-CA 3.31Å; G61-T72 WeakPolarHBondContact O-CA 3.2Å; G61-V73 PolarHBondContact O-N 3.26Å; G61-Y102 WeakPolarHBondContact CA-OH 3.45Å; G61-Y102 PolarHBondContact N-OH 2.94Å
62G91.9Very high90.5Very high18 Ų1853.9 Ų53.919%0.18632%0.317CS..SBendtrans-101.410.4-178.600000114.7
63D92.5Very high90.7Very high15 Ų1548.7 Ų48.78%0.0829%0.293CS..  trans-144.7125.3-168.5-160.1-41.3000110.6H34 R65 I66H34-D63 HydrophobicContact CB-CB 4.45Å; H34-D63 IonicContact CE1-OD2 2.69Å; H34-D63 IonicContact CG-OD2 3.58Å; H34-D63 IonicContact ND1-OD2 3.99Å; H34-D63 PolarHBondContact ND1-OD2 2.9Å; D63-R65 PolarHBondContact O-N 3.44Å; D63-R65 VanDerWaalsContact O-N 3.09Å; D63-R65 VanDerWaalsContact OD1-CB 3.25Å; D63-R65 WeakPolarHBondContact OD1-CB 3.24Å; D63-R65 VanDerWaalsContact OD1-CG 3.3Å; D63-R65 WeakPolarHBondContact OD1-CG 3.38Å; D63-R65 IonicContact OD1-CZ 2.65Å; D63-R65 PolarHBondContact OD1-N 3.32Å; D63-R65 IonicContact OD1-NE 2.66Å; D63-R65 PolarHBondContact OD1-NE 2.86Å; D63-R65 IonicContact OD1-NH2 3.12Å; D63-R65 IonicContact OD2-CZ 3.78Å; D63-R65 VanDerWaalsContact OD2-CZ 3.26Å; D63-R65 IonicContact OD2-NE 3.83Å; D63-R65 PolarHBondContact OD2-NE 3Å; D63-R65 VanDerWaalsContact OD2-NE 3.1Å; D63-R65 IonicContact OD2-NH2 3.03Å; D63-R65 PolarHBondContact OD2-NH2 2.87Å; D63-I66 HydrophobicContact CB-CD1 4.02Å; D63-I66 HydrophobicContact CB-CG1 4.18Å; D63-I66 VanDerWaalsContact O-CB 3.31Å; D63-I66 WeakPolarHBondContact O-CB 3.14Å; D63-I66 WeakPolarHBondContact O-CG1 3.36Å; D63-I66 PolarHBondContact O-N 3.01Å
64D94.3Very high90.8Very high140 Ų14049 Ų4975%0.74929%0.286SS*.THydrogen-bonded Turntrans-63.9-14.8179.2-63.8-25.8000112.7I66D64-I66 PolarHBondContact O-N 3.5Å
65R95.2Very high90.9Very high114 Ų11450.7 Ų50.743%0.4329%0.292SS..THydrogen-bonded Turntrans-71.5-11.6172.3-63.8174.6-76.6-178.5-1.7113.2H34 D63 G67 T97 E131H34-R65 HydrophobicContact CB-CB 3.58Å; H34-R65 PolarHBondContact CE1-NH1 3.4Å; H34-R65 PolarHBondContact CE1-NH2 2.98Å; H34-R65 VanDerWaalsContact ND1-CZ 3.3Å; H34-R65 PolarHBondContact ND1-NE 2.79Å; H34-R65 PolarHBondContact ND1-NH2 3.39Å; H34-R65 PolarHBondContact NE2-NH1 3.31Å; D63-R65 PolarHBondContact O-N 3.44Å; D63-R65 VanDerWaalsContact O-N 3.09Å; D63-R65 VanDerWaalsContact OD1-CB 3.25Å; D63-R65 WeakPolarHBondContact OD1-CB 3.24Å; D63-R65 VanDerWaalsContact OD1-CG 3.3Å; D63-R65 WeakPolarHBondContact OD1-CG 3.38Å; D63-R65 IonicContact OD1-CZ 2.65Å; D63-R65 PolarHBondContact OD1-N 3.32Å; D63-R65 IonicContact OD1-NE 2.66Å; D63-R65 PolarHBondContact OD1-NE 2.86Å; D63-R65 IonicContact OD1-NH2 3.12Å; D63-R65 IonicContact OD2-CZ 3.78Å; D63-R65 VanDerWaalsContact OD2-CZ 3.26Å; D63-R65 IonicContact OD2-NE 3.83Å; D63-R65 PolarHBondContact OD2-NE 3Å; D63-R65 VanDerWaalsContact OD2-NE 3.1Å; D63-R65 IonicContact OD2-NH2 3.03Å; D63-R65 PolarHBondContact OD2-NH2 2.87Å; R65-G67 PolarHBondContact O-N 3.2Å; R65-T97 PolarHBondContact NH2-OG1 3.17Å; R65-E131 IonicContact CZ-OE1 2.73Å; R65-E131 IonicContact CZ-OE2 3.23Å; R65-E131 IonicContact NH1-OE1 2.88Å; R65-E131 PolarHBondContact NH1-OE1 3.2Å; R65-E131 IonicContact NH1-OE2 3.09Å; R65-E131 IonicContact NH2-OE1 2.9Å; R65-E131 IonicContact NH2-OE2 3.5Å; R65-E131 PolarHBondContact NH2-OE2 3.11Å
66I95.4Very high91Very high6 Ų645 Ų453%0.03128%0.276CS..SBendtrans-72.1117.9179.5-69.7165.8000110.2T31 H34 A39 N42 V59 D63 D64 G68 L69T31-I66 HydrophobicContact CG2-CD1 3.81Å; T31-I66 HydrophobicContact CG2-CG1 3.95Å; T31-I66 HydrophobicContact CG2-CG2 3.88Å; H34-I66 HydrophobicContact CB-CG1 4.04Å; A39-I66 HydrophobicContact CB-CG2 4.47Å; N42-I66 WeakPolarHBondContact ND2-CG2 3.37Å; V59-I66 HydrophobicContact CG1-CG2 4.24Å; D63-I66 HydrophobicContact CB-CD1 4.02Å; D63-I66 HydrophobicContact CB-CG1 4.18Å; D63-I66 VanDerWaalsContact O-CB 3.31Å; D63-I66 WeakPolarHBondContact O-CB 3.14Å; D63-I66 WeakPolarHBondContact O-CG1 3.36Å; D63-I66 PolarHBondContact O-N 3.01Å; D64-I66 PolarHBondContact O-N 3.5Å; I66-G68 PolarHBondContact O-N 3.28Å; I66-L69 HydrophobicContact CB-CB 4.36Å; I66-L69 HydrophobicContact CB-CD1 4.43Å; I66-L69 HydrophobicContact CG2-CB 4.28Å; I66-L69 HydrophobicContact CG2-CD1 4.29Å; I66-L69 WeakPolarHBondContact O-CB 3.43Å; I66-L69 PolarHBondContact O-N 2.9Å
67G93.8Very high91Very high23 Ų2345.2 Ų45.224%0.23726%0.256CS..THydrogen-bonded Turntrans-60.4131.6175.200000111.7N42 R65 L69N42-G67 WeakPolarHBondContact CB-O 3.45Å; N42-G67 PolarHBondContact ND2-O 2.8Å; R65-G67 PolarHBondContact O-N 3.2Å; G67-L69 VanDerWaalsContact C-N 3.28Å; G67-L69 PolarHBondContact O-N 2.85Å
68G92.9Very high90.6Very high23 Ų2351 Ų5124%0.23728%0.28CS..THydrogen-bonded Turntrans76.19.1175.800000115.2L43 V59 I66 T70L43-G68 VanDerWaalsContact CD2-CA 3.49Å; L43-G68 VanDerWaalsContact CD2-N 3.33Å; V59-G68 VanDerWaalsContact CB-O 3.22Å; V59-G68 WeakPolarHBondContact CB-O 3.38Å; V59-G68 WeakPolarHBondContact CG2-O 3.4Å; I66-G68 PolarHBondContact O-N 3.28Å; G68-T70 PolarHBondContact O-N 2.77Å
69L94.6Very high90.1Very high42 Ų4247.9 Ų47.922%0.2227%0.269CS..  trans-51.1129177.6-172.270.6000111.6V59 G61 I66 G67 T72V59-L69 WeakPolarHBondContact O-CD1 3.43Å; G61-L69 VanDerWaalsContact N-CD1 3.32Å; I66-L69 HydrophobicContact CB-CB 4.36Å; I66-L69 HydrophobicContact CB-CD1 4.43Å; I66-L69 HydrophobicContact CG2-CB 4.28Å; I66-L69 HydrophobicContact CG2-CD1 4.29Å; I66-L69 WeakPolarHBondContact O-CB 3.43Å; I66-L69 PolarHBondContact O-N 2.9Å; G67-L69 VanDerWaalsContact C-N 3.28Å; G67-L69 PolarHBondContact O-N 2.85Å; L69-T72 WeakPolarHBondContact CD2-OG1 3.38Å
70T93.9Very high89.4Confident78 Ų7854.7 Ų54.748%0.47930%0.295SS..  trans-116.9-30175.563.60000112.5K58 V59 G68K58-T70 WeakPolarHBondContact CA-OG1 3.28Å; V59-T70 PolarHBondContact N-OG1 2.86Å; V59-T70 PolarHBondContact O-N 3.19Å; V59-T70 PolarHBondContact O-OG1 3.4Å; G68-T70 PolarHBondContact O-N 2.77Å
71D92.7Very high88.3Confident32 Ų3254.6 Ų54.617%0.17130%0.295CS..EExtended strand (participates in β ladder)trans-133.699.1-174.3-63.1-115000108.9K58 V59 Y60 G61 V73K58-D71 IonicContact NZ-OD1 3.1Å; K58-D71 PolarHBondContact NZ-OD1 2.87Å; K58-D71 IonicContact NZ-OD2 3.11Å; V59-D71 PolarHBondContact O-N 3.02Å; Y60-D71 WeakPolarHBondContact CA-O 3.41Å; Y60-D71 HydrophobicContact CD1-CB 3.36Å; Y60-D71 HydrophobicContact CE1-CB 3.45Å; Y60-D71 VanDerWaalsContact CE1-CB 3.45Å; Y60-D71 HydrophobicContact CG-CB 4.19Å; G61-D71 PolarHBondContact N-O 2.72Å; D71-V73 PolarHBondContact O-N 2.94Å
72T92.3Very high87.1Confident84 Ų8456.2 Ų56.252%0.51531%0.306SS..EExtended strand (participates in β ladder)trans-69.5128174.1-51.10000110G61 L69G61-T72 CarbonylContact O-C 3.59Å; G61-T72 VanDerWaalsContact O-CA 3.31Å; G61-T72 WeakPolarHBondContact O-CA 3.2Å; L69-T72 WeakPolarHBondContact CD2-OG1 3.38Å
73V89.2Confident85.7Confident4 Ų459 Ų592%0.02433%0.327CS..  trans-112.8147.7-179.7-59.40000112Y60 G61 D71 Y77 F87 A89 I100 Y102Y60-V73 HydrophobicContact CD1-CG1 3.6Å; Y60-V73 HydrophobicContact CG-CG1 4.34Å; G61-V73 PolarHBondContact O-N 3.26Å; D71-V73 PolarHBondContact O-N 2.94Å; V73-Y77 HydrophobicContact CB-CD1 3.98Å; V73-Y77 HydrophobicContact CB-CG 4.02Å; V73-Y77 HydrophobicContact CG1-CD1 3.51Å; V73-Y77 HydrophobicContact CG1-CD2 4.46Å; V73-Y77 HydrophobicContact CG1-CE1 3.64Å; V73-Y77 HydrophobicContact CG1-CG 3.96Å; V73-F87 HydrophobicContact CG1-CE2 4.33Å; V73-F87 HydrophobicContact CG1-CZ 4.39Å; V73-A89 HydrophobicContact CB-CB 4.06Å; V73-A89 HydrophobicContact CG2-CB 3.96Å; V73-I100 HydrophobicContact CG2-CD1 4.01Å; V73-I100 HydrophobicContact CG2-CG1 3.93Å; V73-I100 HydrophobicContact CG2-CG2 4.23Å; V73-Y102 HydrophobicContact CG2-CE1 4.17Å
74S85.3Confident84Confident66 Ų6662 Ų6246%0.46235%0.346SS..  trans-125.5-176.8176.968.10000112.5G76 Y77S74-G76 PolarHBondContact O-N 2.84Å; S74-Y77 WeakPolarHBondContact O-CB 3.44Å; S74-Y77 PolarHBondContact O-N 3.1Å; S74-Y77 VanDerWaalsContact O-N 3.08Å
75H83.5Confident82.5Confident80 Ų8056.1 Ų56.137%0.3732%0.315SS..THydrogen-bonded Turntrans-59134.1179.6-169.566.4000110.4Y77 W90 L91 H92H75-Y77 PolarHBondContact O-N 2.98Å; H75-Y77 VanDerWaalsContact O-N 3.16Å; H75-W90 AromaticContact CE1-CE3 3.62Å; H75-L91 HydrophobicContact CB-CB 3.77Å; H75-L91 HydrophobicContact CB-CD1 4.28Å; H75-L91 HydrophobicContact CB-CG 4.43Å; H75-L91 PolarHBondContact ND1-O 2.9Å; H75-H92 VanDerWaalsContact CB-CE1 3.41Å; H75-H92 WeakPolarHBondContact CB-CE1 3.25Å; H75-H92 AromaticContact CD2-CE1 3.48Å; H75-H92 PolarHBondContact CD2-CE1 2.93Å; H75-H92 VanDerWaalsContact CD2-CE1 3.48Å; H75-H92 AromaticContact CE1-CE1 3.51Å; H75-H92 AromaticContact CE1-ND1 3.73Å; H75-H92 AromaticContact CG-CE1 3.01Å; H75-H92 AromaticContact CG-ND1 3.72Å; H75-H92 AromaticContact CG-NE2 3.8Å; H75-H92 AromaticContact ND1-CE1 3.05Å; H75-H92 PolarHBondContact ND1-CE1 2.98Å; H75-H92 AromaticContact ND1-ND1 3.27Å; H75-H92 PolarHBondContact ND1-ND1 3.34Å; H75-H92 AromaticContact NE2-CE1 3.76Å
76G80.9Confident81Confident37 Ų3751.4 Ų51.438%0.38130%0.299SS..THydrogen-bonded Turntrans70.14.1178.700000113.4S74 K78 A89S74-G76 PolarHBondContact O-N 2.84Å; G76-K78 WeakPolarHBondContact O-CG 3.23Å; G76-K78 PolarHBondContact O-N 3Å; G76-A89 PolarHBondContact N-O 3.02Å
77Y81.9Confident79.8Confident74 Ų7451.1 Ų51.129%0.2930%0.298SS..EExtended strand (participates in β ladder)trans-59.8128.8172.7179.7-84.7000108.7Y60 V73 S74 H75 X79 F87 I88 A89Y60-Y77 HydrophobicContact CD1-CE1 4.42Å; Y60-Y77 HydrophobicContact CE1-CE1 4.19Å; V73-Y77 HydrophobicContact CB-CD1 3.98Å; V73-Y77 HydrophobicContact CB-CG 4.02Å; V73-Y77 HydrophobicContact CG1-CD1 3.51Å; V73-Y77 HydrophobicContact CG1-CD2 4.46Å; V73-Y77 HydrophobicContact CG1-CE1 3.64Å; V73-Y77 HydrophobicContact CG1-CG 3.96Å; S74-Y77 WeakPolarHBondContact O-CB 3.44Å; S74-Y77 PolarHBondContact O-N 3.1Å; S74-Y77 VanDerWaalsContact O-N 3.08Å; H75-Y77 PolarHBondContact O-N 2.98Å; H75-Y77 VanDerWaalsContact O-N 3.16Å; Y77-A79 HydrophobicContact CD1-CB 4.47Å; Y77-A79 HydrophobicContact CE1-CB 3.56Å; Y77-F87 AromaticContact CD1-CE2 3.79Å; Y77-F87 HydrophobicContact CD1-CE2 3.79Å; Y77-F87 AromaticContact CD1-CZ 3.96Å; Y77-F87 HydrophobicContact CD1-CZ 3.96Å; Y77-F87 HydrophobicContact CE1-CE2 4.02Å; Y77-F87 AromaticContact CE1-CZ 3.68Å; Y77-F87 HydrophobicContact CE1-CZ 3.68Å; Y77-I88 CarbonylContact O-C 3.54Å; Y77-I88 WeakPolarHBondContact O-CA 3.45Å; Y77-A89 PolarHBondContact O-N 2.98Å
78K82.2Confident78.6Confident139 Ų13951.5 Ų51.560%0.60429%0.294SS*.EExtended strand (participates in β ladder)trans-120.9131177.9-56.1-169.4-177.8177.60108.9G76 T86 F87 I88G76-K78 WeakPolarHBondContact O-CG 3.23Å; G76-K78 PolarHBondContact O-N 3Å; K78-T86 HydrophobicContact CB-CG2 4.31Å; K78-F87 VanDerWaalsContact CA-O 3.29Å; K78-F87 WeakPolarHBondContact CA-O 3.38Å; K78-I88 HydrophobicContact CD-CD1 4.34Å; K78-I88 HydrophobicContact CD-CG1 4.14Å; K78-I88 HydrophobicContact CG-CG1 4.04Å; K78-I88 HydrophobicContact CG-CG2 4.27Å
79X80.2Confident77.2Confident17 Ų1750.4 Ų50.414%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-140.3147.8166.300000110.6Y77 T86 F87Y77-A79 HydrophobicContact CD1-CB 4.47Å; Y77-A79 HydrophobicContact CE1-CB 3.56Å; A79-T86 WeakPolarHBondContact O-CA 3.25Å; A79-F87 HydrophobicContact CB-CD1 4.11Å; A79-F87 HydrophobicContact CB-CE1 3.47Å; A79-F87 VanDerWaalsContact CB-CE1 3.47Å; A79-F87 HydrophobicContact CB-CZ 3.85Å; A79-F87 PolarHBondContact N-O 2.73Å; A79-F87 WeakPolarHBondContact O-CD1 3.28Å; A79-F87 PolarHBondContact O-N 3.03Å
80R77.9Confident75.7Confident143 Ų14351.7 Ų51.754%0.5429%0.285SS..EExtended strand (participates in β ladder)trans-78.3125.5175.2-175.6177.8-94-162-8.1108.3V82 A83 E107R80-V82 WeakPolarHBondContact CD-O 3.23Å; R80-V82 WeakPolarHBondContact CG-O 3.39Å; R80-A83 PolarHBondContact NE-O 3.09Å; R80-A83 PolarHBondContact NH1-O 3.43Å; R80-A83 PolarHBondContact NH2-O 2.88Å; R80-E107 IonicContact CZ-OE2 3.96Å; R80-E107 IonicContact NH2-OE2 3.35Å; R80-E107 PolarHBondContact NH2-OE2 2.84Å
81L71Confident73.9Confident11 Ų1149.8 Ų49.86%0.05827%0.271CS..EExtended strand (participates in β ladder)trans-85.7-47178.1-66.1177000111.5Q5 L30 S85 F87 V104Q5-L81 HydrophobicContact CG-CB 4.11Å; Q5-L81 HydrophobicContact CG-CD1 3.86Å; Q5-L81 HydrophobicContact CG-CD2 3.9Å; Q5-L81 HydrophobicContact CG-CG 4.15Å; L30-L81 HydrophobicContact CD1-CD1 4.38Å; L30-L81 HydrophobicContact CD2-CD2 4.32Å; L81-S85 PolarHBondContact N-O 3.39Å; L81-F87 HydrophobicContact CD1-CB 4.01Å; L81-F87 HydrophobicContact CD1-CD1 4.18Å; L81-F87 HydrophobicContact CD2-CD1 3.22Å; L81-F87 HydrophobicContact CD2-CE1 3.55Å; L81-F87 HydrophobicContact CD2-CG 4.24Å; L81-F87 HydrophobicContact CG-CB 4.25Å; L81-F87 HydrophobicContact CG-CD1 3.58Å; L81-F87 HydrophobicContact CG-CE1 4.36Å; L81-F87 HydrophobicContact CG-CG 4.38Å; L81-V104 HydrophobicContact CD1-CG1 4.27Å; L81-V104 HydrophobicContact CD1-CG2 3.96Å
82V68.6Low72Confident35 Ų3551.3 Ų51.321%0.21228%0.277CS..EExtended strand (participates in β ladder)trans-141173.4175.4-66.40000108.7R80 T84 S85R80-V82 WeakPolarHBondContact CD-O 3.23Å; R80-V82 WeakPolarHBondContact CG-O 3.39Å; V82-T84 PolarHBondContact O-N 3.44Å; V82-S85 PolarHBondContact N-O 3.47Å; V82-S85 PolarHBondContact O-N 3.48Å; V82-S85 VanDerWaalsContact O-N 3.12Å
83A60.5Low70.1Confident76 Ų7648.8 Ų48.863%0.62826%0.26SS*.THydrogen-bonded Turntrans-46.5-30.7-174.500000115R80R80-A83 PolarHBondContact NE-O 3.09Å; R80-A83 PolarHBondContact NH1-O 3.43Å; R80-A83 PolarHBondContact NH2-O 2.88Å
84T58.4Low68.8Low79 Ų7948.8 Ų48.849%0.48526%0.259SS..THydrogen-bonded Turntrans-114.7-10.9-17655.10000115.3V82 E106 E107V82-T84 PolarHBondContact O-N 3.44Å; T84-E106 CarbonylContact O-C 3.55Å; T84-E106 VanDerWaalsContact O-CA 3.29Å; T84-E106 WeakPolarHBondContact O-CA 3.33Å; T84-E107 PolarHBondContact O-N 3.28Å
85S61.5Low68.3Low15 Ų1546 Ų4611%0.10524%0.239CC..EExtended strand (participates in β ladder)trans-116.3126.8-171.3-52.10000110.9L81 V82L81-S85 PolarHBondContact N-O 3.39Å; V82-S85 PolarHBondContact N-O 3.47Å; V82-S85 PolarHBondContact O-N 3.48Å; V82-S85 VanDerWaalsContact O-N 3.12Å
86T65.3Low68.4Low16 Ų1642.2 Ų42.210%0.09822%0.221CC..EExtended strand (participates in β ladder)trans-114.2135.2175.7-66.60000107.9K78 X79 T105 E107K78-T86 HydrophobicContact CB-CG2 4.31Å; A79-T86 WeakPolarHBondContact O-CA 3.25Å; T86-T105 PolarHBondContact N-O 3.44Å; T86-T105 PolarHBondContact O-N 3.22Å; T86-E107 PolarHBondContact OG1-OE1 2.97Å
87F69.3Low68.6Low0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-97.9144.6166.878.7-90.1000110.4L30 Y60 V73 Y77 K78 X79 L81 A89 Y102 L103 V104L30-F87 HydrophobicContact CD2-CE1 4.35Å; L30-F87 HydrophobicContact CD2-CZ 4.41Å; Y60-F87 HydrophobicContact CD1-CE1 4.38Å; Y60-F87 AromaticContact CD1-CZ 3.68Å; Y60-F87 HydrophobicContact CD1-CZ 3.68Å; Y60-F87 HydrophobicContact CD2-CE1 4.42Å; Y60-F87 HydrophobicContact CD2-CZ 4.3Å; Y60-F87 HydrophobicContact CE1-CE1 4.19Å; Y60-F87 AromaticContact CE1-CZ 3.81Å; Y60-F87 HydrophobicContact CE1-CZ 3.81Å; Y60-F87 HydrophobicContact CE2-CE1 4.21Å; Y60-F87 HydrophobicContact CE2-CZ 4.41Å; Y60-F87 HydrophobicContact CG-CE1 4.48Å; Y60-F87 AromaticContact CG-CZ 3.93Å; Y60-F87 HydrophobicContact CG-CZ 3.93Å; V73-F87 HydrophobicContact CG1-CE2 4.33Å; V73-F87 HydrophobicContact CG1-CZ 4.39Å; Y77-F87 AromaticContact CD1-CE2 3.79Å; Y77-F87 HydrophobicContact CD1-CE2 3.79Å; Y77-F87 AromaticContact CD1-CZ 3.96Å; Y77-F87 HydrophobicContact CD1-CZ 3.96Å; Y77-F87 HydrophobicContact CE1-CE2 4.02Å; Y77-F87 AromaticContact CE1-CZ 3.68Å; Y77-F87 HydrophobicContact CE1-CZ 3.68Å; K78-F87 VanDerWaalsContact CA-O 3.29Å; K78-F87 WeakPolarHBondContact CA-O 3.38Å; A79-F87 HydrophobicContact CB-CD1 4.11Å; A79-F87 HydrophobicContact CB-CE1 3.47Å; A79-F87 VanDerWaalsContact CB-CE1 3.47Å; A79-F87 HydrophobicContact CB-CZ 3.85Å; A79-F87 PolarHBondContact N-O 2.73Å; A79-F87 WeakPolarHBondContact O-CD1 3.28Å; A79-F87 PolarHBondContact O-N 3.03Å; L81-F87 HydrophobicContact CD1-CB 4.01Å; L81-F87 HydrophobicContact CD1-CD1 4.18Å; L81-F87 HydrophobicContact CD2-CD1 3.22Å; L81-F87 HydrophobicContact CD2-CE1 3.55Å; L81-F87 HydrophobicContact CD2-CG 4.24Å; L81-F87 HydrophobicContact CG-CB 4.25Å; L81-F87 HydrophobicContact CG-CD1 3.58Å; L81-F87 HydrophobicContact CG-CE1 4.36Å; L81-F87 HydrophobicContact CG-CG 4.38Å; F87-A89 HydrophobicContact CD2-CB 4.36Å; F87-A89 HydrophobicContact CE2-CB 4.17Å; F87-Y102 AromaticContact CD2-CD1 3.67Å; F87-Y102 HydrophobicContact CD2-CD1 3.67Å; F87-Y102 HydrophobicContact CD2-CE1 4.26Å; F87-Y102 AromaticContact CE2-CD1 3.88Å; F87-Y102 HydrophobicContact CE2-CD1 3.88Å; F87-Y102 AromaticContact CE2-CE1 3.98Å; F87-Y102 HydrophobicContact CE2-CE1 3.98Å; F87-Y102 HydrophobicContact CG-CD1 4.49Å; F87-L103 CarbonylContact C-O 3.58Å; F87-L103 WeakPolarHBondContact CA-O 3.34Å; F87-V104 HydrophobicContact CB-CG2 4.13Å
88I69.7Low68.9Low30 Ų3041.4 Ų41.415%0.15422%0.218CC..EExtended strand (participates in β ladder)trans-112.9116.9167.2-50.5-179.9000106Y77 K78 L103Y77-I88 CarbonylContact O-C 3.54Å; Y77-I88 WeakPolarHBondContact O-CA 3.45Å; K78-I88 HydrophobicContact CD-CD1 4.34Å; K78-I88 HydrophobicContact CD-CG1 4.14Å; K78-I88 HydrophobicContact CG-CG1 4.04Å; K78-I88 HydrophobicContact CG-CG2 4.27Å; I88-L103 PolarHBondContact N-O 3.38Å; I88-L103 PolarHBondContact O-N 2.66Å
89A63.3Low69.4Low0 Ų034.8 Ų34.80%019%0.189CC..EExtended strand (participates in β ladder)trans-79.4121.1169.800000108.3V73 G76 Y77 F87 I100 Y102V73-A89 HydrophobicContact CB-CB 4.06Å; V73-A89 HydrophobicContact CG2-CB 3.96Å; G76-A89 PolarHBondContact N-O 3.02Å; Y77-A89 PolarHBondContact O-N 2.98Å; F87-A89 HydrophobicContact CD2-CB 4.36Å; F87-A89 HydrophobicContact CE2-CB 4.17Å; A89-I100 HydrophobicContact CB-CG2 3.89Å; A89-Y102 HydrophobicContact CB-CD1 4.46Å; A89-Y102 HydrophobicContact CB-CE1 4.44Å
90W63.2Low69.9Low70 Ų7034 Ų3427%0.26518%0.182SC..EExtended strand (participates in β ladder)trans-104102.5168.7-6267.3000106.1H75 R94 C101 V144H75-W90 AromaticContact CE1-CE3 3.62Å; W90-R94 PolarHBondContact O-NH1 3.07Å; W90-R94 PolarHBondContact O-NH2 3.05Å; W90-C101 PolarHBondContact N-O 3.34Å; W90-C101 PolarHBondContact O-N 3.03Å; W90-V144 HydrophobicContact CB-CG1 4.4Å; W90-V144 HydrophobicContact CD2-CG1 3.98Å; W90-V144 HydrophobicContact CE3-CB 4.39Å; W90-V144 HydrophobicContact CE3-CG1 3.32Å; W90-V144 HydrophobicContact CE3-CG2 4.33Å; W90-V144 HydrophobicContact CG-CG1 4.45Å; W90-V144 HydrophobicContact CZ3-CG1 3.86Å
91L55.4Low70.6Confident37 Ų3727.2 Ų27.219%0.19416%0.157CC..  trans-55.1147.5147.9-75.8172.1000105.8H75 I100H75-L91 HydrophobicContact CB-CB 3.77Å; H75-L91 HydrophobicContact CB-CD1 4.28Å; H75-L91 HydrophobicContact CB-CG 4.43Å; H75-L91 PolarHBondContact ND1-O 2.9Å; L91-I100 HydrophobicContact CB-CD1 4.36Å; L91-I100 HydrophobicContact CD2-CD1 3.27Å; L91-I100 HydrophobicContact CD2-CG1 4.45Å; L91-I100 HydrophobicContact CG-CD1 3.51Å
92H52.3Low71.6Confident64 Ų6426.7 Ų26.730%0.29615%0.154SC..  -165.4135.466.3-58.483.2000108.5H75 R94H75-H92 VanDerWaalsContact CB-CE1 3.41Å; H75-H92 WeakPolarHBondContact CB-CE1 3.25Å; H75-H92 AromaticContact CD2-CE1 3.48Å; H75-H92 PolarHBondContact CD2-CE1 2.93Å; H75-H92 VanDerWaalsContact CD2-CE1 3.48Å; H75-H92 AromaticContact CE1-CE1 3.51Å; H75-H92 AromaticContact CE1-ND1 3.73Å; H75-H92 AromaticContact CG-CE1 3.01Å; H75-H92 AromaticContact CG-ND1 3.72Å; H75-H92 AromaticContact CG-NE2 3.8Å; H75-H92 AromaticContact ND1-CE1 3.05Å; H75-H92 PolarHBondContact ND1-CE1 2.98Å; H75-H92 AromaticContact ND1-ND1 3.27Å; H75-H92 PolarHBondContact ND1-ND1 3.34Å; H75-H92 AromaticContact NE2-CE1 3.76Å; H92-R94 VanDerWaalsContact O-CD 3.25Å; H92-R94 WeakPolarHBondContact O-CD 3.43Å; H92-R94 WeakPolarHBondContact O-CG 3.3Å
93H53.7Low72.7Confident31 Ų3125.7 Ų25.714%0.14415%0.148CC..  trans5582.5152.764.336.8000122.5Q136H93-Q136 HydrophobicContact CB-CB 3.94Å; H93-Q136 HydrophobicContact CB-CG 4.03Å; H93-Q136 WeakPolarHBondContact CD2-CG 3.21Å; H93-Q136 WeakPolarHBondContact CE1-CA 3.46Å; H93-Q136 PolarHBondContact CE1-O 3.11Å; H93-Q136 VanDerWaalsContact CG-CG 3.49Å; H93-Q136 VanDerWaalsContact ND1-CA 3.32Å; H93-Q136 WeakPolarHBondContact ND1-CA 3.38Å; H93-Q136 VanDerWaalsContact ND1-CB 3.27Å; H93-Q136 WeakPolarHBondContact ND1-CB 3.41Å; H93-Q136 PolarHBondContact ND1-O 2.79Å
94R60.9Low74Confident4 Ų423.2 Ų23.22%0.01513%0.125CC..SBendtrans-139.4-17.2-163.6-61.7174.6-57.2-139.1-23.8116.1W90 H92 H99 C101 T120 M137 A140W90-R94 PolarHBondContact O-NH1 3.07Å; W90-R94 PolarHBondContact O-NH2 3.05Å; H92-R94 VanDerWaalsContact O-CD 3.25Å; H92-R94 WeakPolarHBondContact O-CD 3.43Å; H92-R94 WeakPolarHBondContact O-CG 3.3Å; R94-H99 PolarHBondContact NH2-O 3.43Å; R94-C101 VanDerWaalsContact NH2-N 3.11Å; R94-T120 HydrophobicContact CB-CG2 3.71Å; R94-T120 WeakPolarHBondContact CB-OG1 3.27Å; R94-T120 WeakPolarHBondContact CD-OG1 3.19Å; R94-T120 HydrophobicContact CG-CG2 3.8Å; R94-T120 PolarHBondContact NE-OG1 3.08Å; R94-M137 HydrophobicContact CB-CE 4.33Å; R94-M137 WeakPolarHBondContact O-CE 3.43Å; R94-A140 HydrophobicContact CG-CB 3.28Å
95H75.2Confident75.3Confident7 Ų721.9 Ų21.93%0.03212%0.117CC..SBendtrans-160.8-45177.9-178.661.8000107.6H33 H35 D119 R128 F130 E131H33-H95 AromaticContact CD2-CD2 3.81Å; H33-H95 AromaticContact NE2-CD2 3.53Å; H35-H95 AromaticContact CE1-CD2 3.39Å; H35-H95 PolarHBondContact CE1-CD2 2.76Å; H35-H95 AromaticContact CE1-NE2 3.11Å; H35-H95 PolarHBondContact CE1-NE2 3.13Å; H35-H95 AromaticContact ND1-CD2 3.43Å; H35-H95 PolarHBondContact ND1-CD2 3.39Å; H35-H95 AromaticContact ND1-NE2 3.16Å; H35-H95 PolarHBondContact ND1-NE2 2.88Å; H35-H95 VanDerWaalsContact ND1-NE2 3.16Å; H95-D119 HydrophobicContact CB-CB 4.11Å; H95-D119 VanDerWaalsContact CD2-CB 3.46Å; H95-D119 WeakPolarHBondContact CD2-CB 3.41Å; H95-D119 IonicContact CD2-OD2 3.81Å; H95-D119 IonicContact NE2-OD2 2.87Å; H95-R128 PolarHBondContact ND1-O 3.17Å; H95-F130 AromaticContact CE1-CD2 3.12Å; H95-F130 WeakPolarHBondContact CE1-CD2 3.36Å; H95-F130 AromaticContact CE1-CE2 3.25Å; H95-F130 WeakPolarHBondContact CE1-CE2 3.31Å; H95-F130 AromaticContact ND1-CD2 3.63Å; H95-F130 AromaticContact NE2-CD2 3.63Å; H95-F130 AromaticContact NE2-CE2 3.79Å; H95-E131 PolarHBondContact O-N 3.28Å; H95-E131 VanDerWaalsContact O-N 3.1Å
96T84.5Confident76.2Confident1 Ų124.6 Ų24.61%0.00613%0.128CC..SBendtrans-120.7164.816765.50000110.3H33 H34 H35 G98 H99 E131H33-T96 HydrophobicContact CB-CG2 4.4Å; H33-T96 WeakPolarHBondContact CB-OG1 3.29Å; H34-T96 VanDerWaalsContact CE1-CG2 3.41Å; H34-T96 WeakPolarHBondContact CE1-CG2 3.41Å; H35-T96 WeakPolarHBondContact NE2-CG2 3.23Å; T96-G98 VanDerWaalsContact C-N 3.33Å; T96-G98 PolarHBondContact O-N 2.87Å; T96-H99 PolarHBondContact O-N 3.18Å; T96-H99 PolarHBondContact OG1-N 3.13Å; T96-E131 WeakPolarHBondContact CA-OE2 3.42Å; T96-E131 WeakPolarHBondContact CB-OE2 3.27Å
97T85.8Confident76.4Confident89 Ų8927.9 Ų27.955%0.54614%0.142SC..THydrogen-bonded Turntrans-65.6-33.1-179.651.40000113.1R65 E131R65-T97 PolarHBondContact NH2-OG1 3.17Å; T97-E131 HydrophobicContact CG2-CB 3.87Å; T97-E131 PolarHBondContact N-OE2 3.31Å; T97-E131 PolarHBondContact OG1-OE2 3.19Å; T97-E131 VanDerWaalsContact OG1-OE2 3.09Å
98G88.2Confident76.3Confident5 Ų536.2 Ų36.25%0.05219%0.187CC..THydrogen-bonded Turntrans-97.717.1178.700000115.4T96 I100T96-G98 VanDerWaalsContact C-N 3.33Å; T96-G98 PolarHBondContact O-N 2.87Å; G98-I100 PolarHBondContact O-N 2.54Å
99H91.6Very high76.3Confident0 Ų036.7 Ų36.70%019%0.193CC..  trans-67.5126.4-176.3-166.7-62.3000113.1T32 H33 R94 T96 T117 D119 T120T32-H99 CarbonylContact O-C 3.5Å; T32-H99 WeakPolarHBondContact O-CA 3.41Å; H33-H99 HydrophobicContact CB-CB 4.31Å; H33-H99 AromaticContact CG-CD2 3.6Å; H33-H99 AromaticContact ND1-CD2 3.6Å; H33-H99 AromaticContact ND1-NE2 3.55Å; R94-H99 PolarHBondContact NH2-O 3.43Å; T96-H99 PolarHBondContact O-N 3.18Å; T96-H99 PolarHBondContact OG1-N 3.13Å; H99-T117 PolarHBondContact CE1-O 3.02Å; H99-D119 PolarHBondContact NE2-N 2.7Å; H99-D119 VanDerWaalsContact NE2-N 3.18Å; H99-T120 PolarHBondContact CE1-OG1 2.92Å; H99-T120 PolarHBondContact ND1-OG1 2.86Å
100I91.2Very high76.5Confident0 Ų043.9 Ų43.90%024%0.236CC..  trans-113.2134.7177.8-57.8-69.5000111T32 V73 A89 L91 G98 Y102T32-I100 WeakPolarHBondContact CA-O 3.46Å; T32-I100 WeakPolarHBondContact CB-O 3.39Å; T32-I100 PolarHBondContact O-N 3.21Å; V73-I100 HydrophobicContact CG2-CD1 4.01Å; V73-I100 HydrophobicContact CG2-CG1 3.93Å; V73-I100 HydrophobicContact CG2-CG2 4.23Å; A89-I100 HydrophobicContact CB-CG2 3.89Å; L91-I100 HydrophobicContact CB-CD1 4.36Å; L91-I100 HydrophobicContact CD2-CD1 3.27Å; L91-I100 HydrophobicContact CD2-CG1 4.45Å; L91-I100 HydrophobicContact CG-CD1 3.51Å; G98-I100 PolarHBondContact O-N 2.54Å; I100-Y102 HydrophobicContact CB-CE2 4.03Å; I100-Y102 HydrophobicContact CG2-CD1 3.92Å; I100-Y102 HydrophobicContact CG2-CD2 4.06Å; I100-Y102 HydrophobicContact CG2-CE1 3.56Å; I100-Y102 HydrophobicContact CG2-CE2 3.71Å; I100-Y102 HydrophobicContact CG2-CG 4.16Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.44Å
101C92.8Very high76.7Confident1 Ų147 Ų471%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-99.9135.3159.9-61.80000108.7W90 R94 V115 F116W90-C101 PolarHBondContact N-O 3.34Å; W90-C101 PolarHBondContact O-N 3.03Å; R94-C101 VanDerWaalsContact NH2-N 3.11Å; C101-V115 HydrophobicContact CB-CG2 4.24Å; C101-F116 CarbonylContact C-O 3.57Å; C101-F116 VanDerWaalsContact CA-O 3.22Å; C101-F116 WeakPolarHBondContact CA-O 3.46Å
102Y92.1Very high77.7Confident0 Ų049.9 Ų49.90%026%0.264CS..EExtended strand (participates in β ladder)trans-105.3112.1177.5-59.7-85.1000109.4L30 T31 T32 Y60 G61 V73 F87 A89 I100 V115 F116L30-Y102 HydrophobicContact CB-CD1 4.34Å; L30-Y102 HydrophobicContact CB-CD2 3.84Å; L30-Y102 HydrophobicContact CB-CE1 4.33Å; L30-Y102 HydrophobicContact CB-CE2 3.84Å; L30-Y102 HydrophobicContact CB-CG 4.1Å; L30-Y102 HydrophobicContact CD1-CD1 4.26Å; L30-Y102 HydrophobicContact CD1-CG 4.06Å; L30-Y102 HydrophobicContact CD2-CD1 4.07Å; L30-Y102 HydrophobicContact CD2-CE1 4.03Å; L30-Y102 HydrophobicContact CG-CD1 4.46Å; L30-Y102 HydrophobicContact CG-CG 4.48Å; T31-Y102 WeakPolarHBondContact O-CE2 3.37Å; T31-Y102 PolarHBondContact O-OH 3.47Å; T32-Y102 HydrophobicContact CG2-CD2 4.23Å; T32-Y102 HydrophobicContact CG2-CE2 4.22Å; Y60-Y102 PolarHBondContact O-OH 2.7Å; Y60-Y102 VanDerWaalsContact O-OH 3.14Å; G61-Y102 WeakPolarHBondContact CA-OH 3.45Å; G61-Y102 PolarHBondContact N-OH 2.94Å; V73-Y102 HydrophobicContact CG2-CE1 4.17Å; F87-Y102 AromaticContact CD2-CD1 3.67Å; F87-Y102 HydrophobicContact CD2-CD1 3.67Å; F87-Y102 HydrophobicContact CD2-CE1 4.26Å; F87-Y102 AromaticContact CE2-CD1 3.88Å; F87-Y102 HydrophobicContact CE2-CD1 3.88Å; F87-Y102 AromaticContact CE2-CE1 3.98Å; F87-Y102 HydrophobicContact CE2-CE1 3.98Å; F87-Y102 HydrophobicContact CG-CD1 4.49Å; A89-Y102 HydrophobicContact CB-CD1 4.46Å; A89-Y102 HydrophobicContact CB-CE1 4.44Å; I100-Y102 HydrophobicContact CB-CE2 4.03Å; I100-Y102 HydrophobicContact CG2-CD1 3.92Å; I100-Y102 HydrophobicContact CG2-CD2 4.06Å; I100-Y102 HydrophobicContact CG2-CE1 3.56Å; I100-Y102 HydrophobicContact CG2-CE2 3.71Å; I100-Y102 HydrophobicContact CG2-CG 4.16Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.44Å; Y102-V115 WeakPolarHBondContact O-CA 3.33Å; Y102-F116 PolarHBondContact N-O 2.87Å; Y102-F116 PolarHBondContact O-N 2.94Å
103L90.9Very high79.4Confident15 Ų1547.5 Ų47.58%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-89.2116.9170176.668.8000108.2F87 I88 T105 A114 V115 L148 T152F87-L103 CarbonylContact C-O 3.58Å; F87-L103 WeakPolarHBondContact CA-O 3.34Å; I88-L103 PolarHBondContact N-O 3.38Å; I88-L103 PolarHBondContact O-N 2.66Å; L103-T105 HydrophobicContact CD1-CG2 4.42Å; L103-T105 HydrophobicContact CD2-CG2 4.31Å; L103-T105 HydrophobicContact CG-CG2 4.09Å; L103-A114 CarbonylContact C-O 3.56Å; L103-V115 HydrophobicContact CD1-CB 4.12Å; L103-L148 HydrophobicContact CD1-CD1 4.34Å; L103-L148 HydrophobicContact CD1-CD2 4.15Å; L103-L148 HydrophobicContact CD2-CD2 3.75Å; L103-T152 HydrophobicContact CD1-CG2 4.05Å
104V88.9Confident81.2Confident24 Ų2447 Ų4715%0.14526%0.258CS..EExtended strand (participates in β ladder)trans-103.1124.5175.8179.90000109.3L81 F87 G113 A114 F116L81-V104 HydrophobicContact CD1-CG1 4.27Å; L81-V104 HydrophobicContact CD1-CG2 3.96Å; F87-V104 HydrophobicContact CB-CG2 4.13Å; V104-G113 WeakPolarHBondContact O-CA 3.44Å; V104-A114 PolarHBondContact N-O 2.92Å; V104-A114 PolarHBondContact O-N 3.36Å; V104-F116 HydrophobicContact CB-CE2 4.2Å; V104-F116 HydrophobicContact CG2-CD2 3.97Å; V104-F116 HydrophobicContact CG2-CE2 3.64Å
105T84.6Confident82.8Confident51 Ų5146.9 Ų46.931%0.31326%0.258SS..EExtended strand (participates in β ladder)trans-131.3145.3178540000109.9T86 L103T86-T105 PolarHBondContact N-O 3.44Å; T86-T105 PolarHBondContact O-N 3.22Å; L103-T105 HydrophobicContact CD1-CG2 4.42Å; L103-T105 HydrophobicContact CD2-CG2 4.31Å; L103-T105 HydrophobicContact CG-CG2 4.09Å
106E80.5Confident83.7Confident72 Ų7248.8 Ų48.834%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-87.2127.6170.2-72.9177.9-17900109.9T84 N108 S109 K111T84-E106 CarbonylContact O-C 3.55Å; T84-E106 VanDerWaalsContact O-CA 3.29Å; T84-E106 WeakPolarHBondContact O-CA 3.33Å; E106-N108 PolarHBondContact O-N 3.1Å; E106-S109 WeakPolarHBondContact O-CB 3.43Å; E106-S109 PolarHBondContact O-N 3.02Å; E106-S109 WeakPolarHBondContact OE2-CB 3.22Å; E106-S109 PolarHBondContact OE2-OG 3.13Å; E106-K111 IonicContact OE1-NZ 3.76Å; E106-K111 PolarHBondContact OE1-NZ 3.18Å; E106-K111 WeakPolarHBondContact OE2-CD 3.39Å; E106-K111 WeakPolarHBondContact OE2-CE 3.5Å; E106-K111 IonicContact OE2-NZ 3.07Å; E106-K111 PolarHBondContact OE2-NZ 2.78Å
107E69.5Low84.1Confident85 Ų8548.8 Ų48.840%0.39727%0.266SS..THydrogen-bonded Turntrans-63.4134.7175.2-72.4176.7-177.400110.5R80 T84 T86 S109R80-E107 IonicContact CZ-OE2 3.96Å; R80-E107 IonicContact NH2-OE2 3.35Å; R80-E107 PolarHBondContact NH2-OE2 2.84Å; T84-E107 PolarHBondContact O-N 3.28Å; T86-E107 PolarHBondContact OG1-OE1 2.97Å; E107-S109 PolarHBondContact O-N 3.02Å; E107-S109 VanDerWaalsContact O-N 3.17Å
108N67.5Low84.5Confident175 Ų17544.5 Ų44.594%0.93624%0.24SC*.THydrogen-bonded Turntrans59.418.6-177.9-51.6-52.7000115.1E106E106-N108 PolarHBondContact O-N 3.1Å
109S69.6Low84.9Confident40 Ų4044.7 Ų44.728%0.2824%0.24SC..  trans-96.8139177.1-164.30000110.5E106 E107 K111E106-S109 WeakPolarHBondContact O-CB 3.43Å; E106-S109 PolarHBondContact O-N 3.02Å; E106-S109 WeakPolarHBondContact OE2-CB 3.22Å; E106-S109 PolarHBondContact OE2-OG 3.13Å; E107-S109 PolarHBondContact O-N 3.02Å; E107-S109 VanDerWaalsContact O-N 3.17Å; S109-K111 VanDerWaalsContact OG-CB 3.27Å; S109-K111 WeakPolarHBondContact OG-CB 3.29Å; S109-K111 VanDerWaalsContact OG-CG 3.27Å; S109-K111 WeakPolarHBondContact OG-CG 3.29Å; S109-K111 PolarHBondContact OG-N 3.09Å
110T67.8Low85Confident150 Ų15044.7 Ų44.792%0.9224%0.24SC*.  trans-81.1-2.2165.359.60000111.7
111K68.2Low85.2Confident137 Ų13744.7 Ų44.760%0.59624%0.24SC*.SBendtrans-69.4148.1179.7-64.3-174.6-154.9148.10111.2E106 S109E106-K111 IonicContact OE1-NZ 3.76Å; E106-K111 PolarHBondContact OE1-NZ 3.18Å; E106-K111 WeakPolarHBondContact OE2-CD 3.39Å; E106-K111 WeakPolarHBondContact OE2-CE 3.5Å; E106-K111 IonicContact OE2-NZ 3.07Å; E106-K111 PolarHBondContact OE2-NZ 2.78Å; S109-K111 VanDerWaalsContact OG-CB 3.27Å; S109-K111 WeakPolarHBondContact OG-CB 3.29Å; S109-K111 VanDerWaalsContact OG-CG 3.27Å; S109-K111 WeakPolarHBondContact OG-CG 3.29Å; S109-K111 PolarHBondContact OG-N 3.09Å
112E76.1Confident85.5Confident97 Ų9745 Ų4545%0.45324%0.241SC..PPolyproline II helixtrans-63.5135176.6-53.6173.8167.300110.1T151 K153E112-T151 VanDerWaalsContact OE1-CB 3.23Å; E112-T151 WeakPolarHBondContact OE1-CB 3.2Å; E112-T151 WeakPolarHBondContact OE1-CG2 3.5Å; E112-T151 VanDerWaalsContact OE2-O 3.13Å; E112-K153 WeakPolarHBondContact OE2-CE 3.28Å; E112-K153 IonicContact OE2-NZ 2.7Å; E112-K153 PolarHBondContact OE2-NZ 3Å
113G87.7Confident85.8Confident14 Ų1445.1 Ų45.114%0.14424%0.242CC..PPolyproline II helixtrans-70.8167.3173.500000112.2V104 T152 K153V104-G113 WeakPolarHBondContact O-CA 3.44Å; G113-T152 WeakPolarHBondContact O-CA 3.34Å; G113-T152 WeakPolarHBondContact O-CG2 3.49Å; G113-K153 PolarHBondContact O-N 2.64Å
114A92.2Very high86.2Confident20 Ų2044.4 Ų44.417%0.16524%0.238CC..EExtended strand (participates in β ladder)trans-121.9136.3171.200000109.7L103 V104 K153 Y155L103-A114 CarbonylContact C-O 3.56Å; V104-A114 PolarHBondContact N-O 2.92Å; V104-A114 PolarHBondContact O-N 3.36Å; A114-K153 CarbonylContact C-O 3.24Å; A114-K153 WeakPolarHBondContact CA-O 3.22Å; A114-K153 HydrophobicContact CB-CB 4.27Å; A114-Y155 HydrophobicContact CB-CD2 4.11Å; A114-Y155 HydrophobicContact CB-CE2 3.93Å
115V92.9Very high86.6Confident2 Ų243.3 Ų43.31%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-113125.8172.4650000110C101 Y102 L103 T117 L145 L148 T152 K153 V154 Y155 I200C101-V115 HydrophobicContact CB-CG2 4.24Å; Y102-V115 WeakPolarHBondContact O-CA 3.33Å; L103-V115 HydrophobicContact CD1-CB 4.12Å; V115-T117 HydrophobicContact CB-CG2 4.48Å; V115-T117 HydrophobicContact CG1-CG2 3.98Å; V115-T117 HydrophobicContact CG2-CG2 3.89Å; V115-L145 HydrophobicContact CG2-CD2 4.03Å; V115-L148 HydrophobicContact CB-CD1 4.12Å; V115-L148 HydrophobicContact CG1-CD1 4.06Å; V115-L148 HydrophobicContact CG2-CD1 4.27Å; V115-T152 HydrophobicContact CB-CG2 4.26Å; V115-T152 HydrophobicContact CG1-CG2 4.05Å; V115-K153 WeakPolarHBondContact CG1-O 3.29Å; V115-K153 PolarHBondContact N-O 2.77Å; V115-V154 HydrophobicContact CG1-CG2 3.98Å; V115-Y155 PolarHBondContact O-N 3.32Å; V115-I200 HydrophobicContact CG1-CD1 4.37Å
116F94.1Very high87.1Confident47 Ų4741 Ų4121%0.20622%0.218CC..EExtended strand (participates in β ladder)trans-96.2111.6174.2-61-75.6000108.3Q7 C101 Y102 V104 Y155Q7-F116 HydrophobicContact CB-CD1 4.31Å; Q7-F116 HydrophobicContact CG-CB 4.14Å; Q7-F116 HydrophobicContact CG-CD1 4.41Å; Q7-F116 HydrophobicContact CG-CG 4.46Å; C101-F116 CarbonylContact C-O 3.57Å; C101-F116 VanDerWaalsContact CA-O 3.22Å; C101-F116 WeakPolarHBondContact CA-O 3.46Å; Y102-F116 PolarHBondContact N-O 2.87Å; Y102-F116 PolarHBondContact O-N 2.94Å; V104-F116 HydrophobicContact CB-CE2 4.2Å; V104-F116 HydrophobicContact CG2-CD2 3.97Å; V104-F116 HydrophobicContact CG2-CE2 3.64Å; F116-Y155 WeakPolarHBondContact CA-O 3.29Å; F116-Y155 VanDerWaalsContact CD1-CB 3.46Å; F116-Y155 HydrophobicContact CD1-CD2 4.25Å; F116-Y155 HydrophobicContact CD1-CG 4.03Å; F116-Y155 HydrophobicContact CE1-CD1 4.5Å; F116-Y155 AromaticContact CE1-CD2 3.89Å; F116-Y155 HydrophobicContact CE1-CD2 3.89Å; F116-Y155 AromaticContact CE1-CG 3.82Å; F116-Y155 HydrophobicContact CE1-CG 3.82Å; F116-Y155 HydrophobicContact CZ-CD2 4.45Å
117T94.6Very high87.8Confident0 Ų037.7 Ų37.70%020%0.202CC..EExtended strand (participates in β ladder)trans-105.5-7.5-164.853.80000114.1H99 V115 D119 T120 L121 L145 V154 Y155 C156H99-T117 PolarHBondContact CE1-O 3.02Å; V115-T117 HydrophobicContact CB-CG2 4.48Å; V115-T117 HydrophobicContact CG1-CG2 3.98Å; V115-T117 HydrophobicContact CG2-CG2 3.89Å; T117-D119 PolarHBondContact O-N 2.7Å; T117-T120 WeakPolarHBondContact O-CB 3.36Å; T117-T120 PolarHBondContact O-N 3.43Å; T117-T120 PolarHBondContact O-OG1 2.67Å; T117-L121 HydrophobicContact CG2-CB 4.02Å; T117-L121 HydrophobicContact CG2-CD2 4.32Å; T117-L121 PolarHBondContact OG1-O 2.99Å; T117-L145 HydrophobicContact CG2-CD1 4.27Å; T117-V154 HydrophobicContact CG2-CG1 4.09Å; T117-Y155 PolarHBondContact N-O 3.03Å; T117-Y155 PolarHBondContact OG1-O 2.97Å; T117-C156 WeakPolarHBondContact OG1-CA 3.47Å; T117-C156 WeakPolarHBondContact OG1-CB 3.5Å
118G94Very high89.1Confident0 Ų039.2 Ų39.20%020%0.204CC..EExtended strand (participates in β ladder)trans44.6-126.6-171.600000110.5G157G118-G157 PolarHBondContact O-N 3.18Å
119D95.5Very high90.3Very high9 Ų933 Ų335%0.04817%0.169CC..THydrogen-bonded Turntrans-92.612.7-179.6-73.426.7000114.7H33 H38 H95 H99 T117 F122 G127 H158H33-D119 IonicContact CE1-OD1 3.88Å; H33-D119 IonicContact NE2-OD2 2.97Å; H38-D119 IonicContact CE1-OD1 2.97Å; H38-D119 PolarHBondContact CE1-OD1 3.3Å; H38-D119 IonicContact NE2-OD1 3.92Å; H38-D119 PolarHBondContact NE2-OD1 3.38Å; H38-D119 VanDerWaalsContact NE2-OD1 3.1Å; H38-D119 IonicContact NE2-OD2 3.78Å; H95-D119 HydrophobicContact CB-CB 4.11Å; H95-D119 VanDerWaalsContact CD2-CB 3.46Å; H95-D119 WeakPolarHBondContact CD2-CB 3.41Å; H95-D119 IonicContact CD2-OD2 3.81Å; H95-D119 IonicContact NE2-OD2 2.87Å; H99-D119 PolarHBondContact NE2-N 2.7Å; H99-D119 VanDerWaalsContact NE2-N 3.18Å; T117-D119 PolarHBondContact O-N 2.7Å; D119-F122 HydrophobicContact CB-CE1 4.4Å; D119-F122 HydrophobicContact CB-CZ 3.86Å; D119-G127 WeakPolarHBondContact O-CA 3.48Å; D119-G127 PolarHBondContact O-N 2.91Å; D119-H158 IonicContact OD1-CD2 3.29Å; D119-H158 PolarHBondContact OD1-CD2 3.13Å; D119-H158 IonicContact OD1-NE2 3.87Å; D119-H158 PolarHBondContact OD1-NE2 2.79Å; D119-H158 IonicContact OD2-CD2 3.36Å; D119-H158 PolarHBondContact OD2-CD2 3.45Å; D119-H158 IonicContact OD2-NE2 2.74Å; D119-H158 PolarHBondContact OD2-NE2 3.1Å
120T94.6Very high91.3Very high0 Ų036.8 Ų36.80%018%0.181CC..SBendtrans-71.8-64.7171.4-69.10000111R94 H99 T117 C126 G127 L141 L145R94-T120 HydrophobicContact CB-CG2 3.71Å; R94-T120 WeakPolarHBondContact CB-OG1 3.27Å; R94-T120 WeakPolarHBondContact CD-OG1 3.19Å; R94-T120 HydrophobicContact CG-CG2 3.8Å; R94-T120 PolarHBondContact NE-OG1 3.08Å; H99-T120 PolarHBondContact CE1-OG1 2.92Å; H99-T120 PolarHBondContact ND1-OG1 2.86Å; T117-T120 WeakPolarHBondContact O-CB 3.36Å; T117-T120 PolarHBondContact O-N 3.43Å; T117-T120 PolarHBondContact O-OG1 2.67Å; T120-C126 VanDerWaalsContact O-CA 3.28Å; T120-C126 WeakPolarHBondContact O-CA 3.48Å; T120-C126 VanDerWaalsContact O-CB 3.22Å; T120-C126 WeakPolarHBondContact O-CB 3.47Å; T120-G127 PolarHBondContact O-N 2.99Å; T120-L141 HydrophobicContact CG2-CD2 3.9Å; T120-L145 HydrophobicContact CG2-CD1 3.78Å
121L96.1Very high92.4Very high0 Ų032.9 Ų32.90%015%0.152CC..EExtended strand (participates in β ladder)trans-120.8118.5-172.4170.364.1000106.2T117 L141 L145 V154 C156 I200 E203 N207 M210T117-L121 HydrophobicContact CG2-CB 4.02Å; T117-L121 HydrophobicContact CG2-CD2 4.32Å; T117-L121 PolarHBondContact OG1-O 2.99Å; L121-L141 HydrophobicContact CB-CD2 3.96Å; L121-L141 HydrophobicContact CD1-CD2 4.21Å; L121-L145 HydrophobicContact CB-CD1 3.82Å; L121-L145 HydrophobicContact CD2-CD1 3.87Å; L121-L145 HydrophobicContact CG-CD1 4.48Å; L121-V154 HydrophobicContact CD2-CG1 3.99Å; L121-V154 HydrophobicContact CD2-CG2 4.3Å; L121-V154 HydrophobicContact CG-CG1 4.26Å; L121-C156 WeakPolarHBondContact O-CB 3.33Å; L121-I200 HydrophobicContact CD2-CD1 4.25Å; L121-E203 HydrophobicContact CD1-CG 4.28Å; L121-E203 HydrophobicContact CD2-CG 4.31Å; L121-N207 WeakPolarHBondContact CD1-ND2 3.31Å; L121-M210 HydrophobicContact CD1-CG 4.22Å; L121-M210 HydrophobicContact CD1-SD 3.68Å; L121-M210 HydrophobicContact CD2-SD 4.02Å
122F97.9Very high93.4Very high8 Ų827.4 Ų27.44%0.03514%0.135CC..EExtended strand (participates in β ladder)trans-100.7160.1167.9-63.2-54.3000108.9D119 G124 G125 C156 H158 Y160 N164 N207D119-F122 HydrophobicContact CB-CE1 4.4Å; D119-F122 HydrophobicContact CB-CZ 3.86Å; F122-G124 PolarHBondContact O-N 3.25Å; F122-G124 VanDerWaalsContact O-N 3.08Å; F122-G125 PolarHBondContact N-O 3.18Å; F122-G125 PolarHBondContact O-N 3.32Å; F122-C156 HydrophobicContact CD1-CB 3.83Å; F122-H158 HydrophobicContact CD1-CB 4.3Å; F122-H158 HydrophobicContact CE1-CB 3.81Å; F122-H158 AromaticContact CE1-CD2 3.59Å; F122-H158 HydrophobicContact CZ-CB 4.26Å; F122-H158 AromaticContact CZ-CD2 3.64Å; F122-Y160 HydrophobicContact CD2-CD2 4.11Å; F122-Y160 AromaticContact CE2-CD2 3.93Å; F122-Y160 HydrophobicContact CE2-CD2 3.93Å; F122-Y160 HydrophobicContact CE2-CE2 4.16Å; F122-Y160 HydrophobicContact CG-CD2 4.45Å; F122-Y160 HydrophobicContact CZ-CD2 4.15Å; F122-Y160 HydrophobicContact CZ-CE2 4.13Å; F122-N164 WeakPolarHBondContact CB-ND2 3.47Å; F122-N207 PolarHBondContact O-ND2 3.33Å
123L98.6Very high94.2Very high2 Ų225.7 Ų25.71%0.0113%0.131CC..THydrogen-bonded Turntrans-62.2118.4170.7-53.5-172.1000109.6G125 V154 T161 N164 S195 V196 E203L123-G125 VanDerWaalsContact C-N 3.29Å; L123-G125 PolarHBondContact O-N 3.02Å; L123-V154 HydrophobicContact CD2-CB 4.16Å; L123-V154 HydrophobicContact CD2-CG1 4.05Å; L123-T161 HydrophobicContact CB-CG2 3.58Å; L123-T161 WeakPolarHBondContact CB-OG1 3.2Å; L123-T161 HydrophobicContact CD1-CG2 4.3Å; L123-N164 WeakPolarHBondContact O-CB 3.3Å; L123-N164 PolarHBondContact O-ND2 3.09Å; L123-S195 VanDerWaalsContact CD1-O 3.25Å; L123-S195 WeakPolarHBondContact CD1-O 3.48Å; L123-V196 HydrophobicContact CD1-CG1 3.93Å; L123-V196 HydrophobicContact CG-CG1 4.34Å; L123-E203 WeakPolarHBondContact CA-OE1 3.28Å
124G98.4Very high94.6Very high0 Ų025.3 Ų25.30%013%0.126CC..THydrogen-bonded Turntrans72.59-175.700000115.7F122 N164 E203 N207F122-G124 PolarHBondContact O-N 3.25Å; F122-G124 VanDerWaalsContact O-N 3.08Å; G124-N164 WeakPolarHBondContact O-CB 3.44Å; G124-E203 PolarHBondContact N-OE1 2.92Å; G124-E203 PolarHBondContact N-OE2 2.74Å; G124-N207 VanDerWaalsContact C-CG 3.49Å
125G97.9Very high94.7Very high1 Ų129.1 Ų29.11%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-161.5-164.318000000114.9F122 L123 N207F122-G125 PolarHBondContact N-O 3.18Å; F122-G125 PolarHBondContact O-N 3.32Å; L123-G125 VanDerWaalsContact C-N 3.29Å; L123-G125 PolarHBondContact O-N 3.02Å; G125-N207 PolarHBondContact N-ND2 3.05Å; G125-N207 PolarHBondContact O-ND2 3.25Å
126C96.5Very high94.7Very high3 Ų332 Ų322%0.0215%0.154CC..EExtended strand (participates in β ladder)trans-143.5169174.283.20000110.5T120 M137 L141 L209 R234T120-C126 VanDerWaalsContact O-CA 3.28Å; T120-C126 WeakPolarHBondContact O-CA 3.48Å; T120-C126 VanDerWaalsContact O-CB 3.22Å; T120-C126 WeakPolarHBondContact O-CB 3.47Å; C126-M137 HydrophobicContact CB-CE 3.92Å; C126-M137 HydrophobicContact CB-SD 4.17Å; C126-L141 HydrophobicContact CB-CD1 3.95Å; C126-L209 HydrophobicContact CB-CD1 3.91Å; C126-L209 WeakPolarHBondContact SG-CD1 3.33Å; C126-R234 PolarHBondContact O-NH1 2.78Å; C126-R234 PolarHBondContact SG-NH1 3.38Å
127G95.1Very high94.7Very high1 Ų129.8 Ų29.81%0.0114%0.144CC..  trans-63.1160.9170.400000113.5D119 T120D119-G127 WeakPolarHBondContact O-CA 3.48Å; D119-G127 PolarHBondContact O-N 2.91Å; T120-G127 PolarHBondContact O-N 2.99Å
128R94.9Very high94.7Very high118 Ų11831 Ų3145%0.44515%0.15SC..  trans-69.2150168.9-60.6-177.374.2178.21.8109.6H95 F130 D238H95-R128 PolarHBondContact ND1-O 3.17Å; R128-F130 HydrophobicContact CB-CD1 4.42Å; R128-F130 HydrophobicContact CB-CD2 4.27Å; R128-F130 HydrophobicContact CB-CE1 4.22Å; R128-F130 HydrophobicContact CB-CE2 4.08Å; R128-F130 HydrophobicContact CB-CG 4.44Å; R128-F130 HydrophobicContact CB-CZ 4.05Å; R128-F130 HydrophobicContact CG-CZ 4.45Å; R128-F130 PolarHBondContact O-N 3.18Å; R128-D238 IonicContact CZ-OD2 3.55Å; R128-D238 IonicContact NE-OD1 2.7Å; R128-D238 IonicContact NE-OD2 3.55Å; R128-D238 PolarHBondContact NE-OD2 3.45Å; R128-D238 IonicContact NH2-OD2 3.96Å; R128-D238 PolarHBondContact NH2-OD2 3.03Å
129F93Very high94.6Very high43 Ų4335 Ų3519%0.18917%0.167CC..  trans-8660.8-177.9-53.7-12.6000110.3A134 M137 M230 R234F129-A134 HydrophobicContact CE2-CB 3.98Å; F129-M137 HydrophobicContact CD1-CB 4.14Å; F129-M137 HydrophobicContact CD1-CE 3.89Å; F129-M137 HydrophobicContact CD1-CG 4.42Å; F129-M137 HydrophobicContact CE1-CB 3.46Å; F129-M137 VanDerWaalsContact CE1-CB 3.46Å; F129-M137 HydrophobicContact CE1-CE 3.59Å; F129-M137 HydrophobicContact CE1-CG 3.47Å; F129-M137 VanDerWaalsContact CE1-CG 3.47Å; F129-M137 HydrophobicContact CE1-SD 4.4Å; F129-M137 HydrophobicContact CE2-CB 4.23Å; F129-M137 HydrophobicContact CZ-CB 3.5Å; F129-M137 VanDerWaalsContact CZ-CB 3.5Å; F129-M137 HydrophobicContact CZ-CG 3.71Å; F129-M230 HydrophobicContact CE2-CG 4.27Å; F129-M230 HydrophobicContact CZ-CG 3.95Å; F129-M230 HydrophobicContact CZ-SD 4.07Å; F129-R234 HydrophobicContact CD1-CG 4.13Å; F129-R234 HydrophobicContact CD2-CG 3.93Å; F129-R234 HydrophobicContact CE1-CB 4.44Å; F129-R234 HydrophobicContact CE1-CG 3.8Å; F129-R234 HydrophobicContact CE2-CB 3.8Å; F129-R234 HydrophobicContact CE2-CG 3.63Å; F129-R234 HydrophobicContact CG-CG 4.17Å; F129-R234 HydrophobicContact CZ-CB 3.74Å; F129-R234 HydrophobicContact CZ-CG 3.54Å
130F91.4Very high94.4Very high120 Ų12034.6 Ų34.653%0.52617%0.165SC..SBendtrans-64-44.9-174.3-71.8-54000112.8H35 H95 R128H35-F130 AromaticContact CE1-CD2 3.99Å; H95-F130 AromaticContact CE1-CD2 3.12Å; H95-F130 WeakPolarHBondContact CE1-CD2 3.36Å; H95-F130 AromaticContact CE1-CE2 3.25Å; H95-F130 WeakPolarHBondContact CE1-CE2 3.31Å; H95-F130 AromaticContact ND1-CD2 3.63Å; H95-F130 AromaticContact NE2-CD2 3.63Å; H95-F130 AromaticContact NE2-CE2 3.79Å; R128-F130 HydrophobicContact CB-CD1 4.42Å; R128-F130 HydrophobicContact CB-CD2 4.27Å; R128-F130 HydrophobicContact CB-CE1 4.22Å; R128-F130 HydrophobicContact CB-CE2 4.08Å; R128-F130 HydrophobicContact CB-CG 4.44Å; R128-F130 HydrophobicContact CB-CZ 4.05Å; R128-F130 HydrophobicContact CG-CZ 4.45Å; R128-F130 PolarHBondContact O-N 3.18Å
131E90.9Very high94.4Very high68 Ų6834.6 Ų34.632%0.31817%0.165SC..SBendtrans-119.620.5179.9-46.5-177.2161.600112.8H34 R65 H95 T96 T97H34-E131 IonicContact CE1-OE1 3.68Å; R65-E131 IonicContact CZ-OE1 2.73Å; R65-E131 IonicContact CZ-OE2 3.23Å; R65-E131 IonicContact NH1-OE1 2.88Å; R65-E131 PolarHBondContact NH1-OE1 3.2Å; R65-E131 IonicContact NH1-OE2 3.09Å; R65-E131 IonicContact NH2-OE1 2.9Å; R65-E131 IonicContact NH2-OE2 3.5Å; R65-E131 PolarHBondContact NH2-OE2 3.11Å; H95-E131 PolarHBondContact O-N 3.28Å; H95-E131 VanDerWaalsContact O-N 3.1Å; T96-E131 WeakPolarHBondContact CA-OE2 3.42Å; T96-E131 WeakPolarHBondContact CB-OE2 3.27Å; T97-E131 HydrophobicContact CG2-CB 3.87Å; T97-E131 PolarHBondContact N-OE2 3.31Å; T97-E131 PolarHBondContact OG1-OE2 3.19Å; T97-E131 VanDerWaalsContact OG1-OE2 3.09Å
132G89.5Confident94.4Very high23 Ų2335.8 Ų35.824%0.23717%0.171CC..  trans-142.2178.8-17400000114.6
133T93.5Very high94.1Very high61 Ų6140.5 Ų40.537%0.37419%0.193SC..  trans-114.7172.2-178.481.50000112.8E135 Q136 M137T133-E135 WeakPolarHBondContact CB-OE2 3.4Å; T133-E135 PolarHBondContact OG1-N 2.95Å; T133-E135 PolarHBondContact OG1-OE2 3.2Å; T133-Q136 WeakPolarHBondContact O-CB 3.46Å; T133-Q136 PolarHBondContact O-N 3.35Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.41Å; T133-Q136 PolarHBondContact OG1-N 3.11Å; T133-M137 PolarHBondContact O-N 3.48Å
134A95.2Very high93.7Very high5 Ų541.1 Ų41.14%0.04120%0.197CC..Hα-helixtrans-69.1-36.8176.700000112.2F129 Q136 M137 F138 I227 M230 K231F129-A134 HydrophobicContact CE2-CB 3.98Å; A134-Q136 PolarHBondContact O-N 3.1Å; A134-M137 PolarHBondContact O-N 3.25Å; A134-F138 VanDerWaalsContact O-CB 3.3Å; A134-F138 WeakPolarHBondContact O-CB 3.19Å; A134-F138 PolarHBondContact O-N 3.22Å; A134-I227 HydrophobicContact CB-CG2 4.4Å; A134-M230 HydrophobicContact CB-CB 4.4Å; A134-M230 HydrophobicContact CB-CG 4.15Å; A134-K231 HydrophobicContact CB-CB 3.7Å; A134-K231 HydrophobicContact CB-CG 4.44Å
135E94.7Very high93.5Very high100 Ų10041.3 Ų41.347%0.46720%0.198SC..Hα-helixtrans-58.2-42.4173.3-59.166.3-153.700110.2T133 F138 K139 I227T133-E135 WeakPolarHBondContact CB-OE2 3.4Å; T133-E135 PolarHBondContact OG1-N 2.95Å; T133-E135 PolarHBondContact OG1-OE2 3.2Å; E135-F138 WeakPolarHBondContact O-CB 3.32Å; E135-F138 PolarHBondContact O-N 3.19Å; E135-K139 PolarHBondContact O-N 2.92Å; E135-I227 HydrophobicContact CB-CG2 4.35Å; E135-I227 HydrophobicContact CG-CD1 4.3Å; E135-I227 HydrophobicContact CG-CG2 3.67Å; E135-I227 WeakPolarHBondContact OE1-CG2 3.36Å
136Q92.5Very high93.3Very high62 Ų6242.2 Ų42.229%0.2920%0.204SC..Hα-helixtrans-65.1-54.4176.4-73.8-175.4-2600110.5H93 T133 A134 F138 K139 A140H93-Q136 HydrophobicContact CB-CB 3.94Å; H93-Q136 HydrophobicContact CB-CG 4.03Å; H93-Q136 WeakPolarHBondContact CD2-CG 3.21Å; H93-Q136 WeakPolarHBondContact CE1-CA 3.46Å; H93-Q136 PolarHBondContact CE1-O 3.11Å; H93-Q136 VanDerWaalsContact CG-CG 3.49Å; H93-Q136 VanDerWaalsContact ND1-CA 3.32Å; H93-Q136 WeakPolarHBondContact ND1-CA 3.38Å; H93-Q136 VanDerWaalsContact ND1-CB 3.27Å; H93-Q136 WeakPolarHBondContact ND1-CB 3.41Å; H93-Q136 PolarHBondContact ND1-O 2.79Å; T133-Q136 WeakPolarHBondContact O-CB 3.46Å; T133-Q136 PolarHBondContact O-N 3.35Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.41Å; T133-Q136 PolarHBondContact OG1-N 3.11Å; A134-Q136 PolarHBondContact O-N 3.1Å; Q136-F138 PolarHBondContact O-N 3.07Å; Q136-F138 VanDerWaalsContact O-N 3.17Å; Q136-K139 PolarHBondContact O-N 3.45Å; Q136-A140 WeakPolarHBondContact O-CB 3.17Å; Q136-A140 PolarHBondContact O-N 2.65Å
137M93.7Very high93.1Very high2 Ų249.4 Ų49.41%0.0124%0.235CC..Hα-helixtrans-58.8-35.2176.3-173.959.98100112.7R94 C126 F129 T133 A134 A140 L141 M230R94-M137 HydrophobicContact CB-CE 4.33Å; R94-M137 WeakPolarHBondContact O-CE 3.43Å; C126-M137 HydrophobicContact CB-CE 3.92Å; C126-M137 HydrophobicContact CB-SD 4.17Å; F129-M137 HydrophobicContact CD1-CB 4.14Å; F129-M137 HydrophobicContact CD1-CE 3.89Å; F129-M137 HydrophobicContact CD1-CG 4.42Å; F129-M137 HydrophobicContact CE1-CB 3.46Å; F129-M137 VanDerWaalsContact CE1-CB 3.46Å; F129-M137 HydrophobicContact CE1-CE 3.59Å; F129-M137 HydrophobicContact CE1-CG 3.47Å; F129-M137 VanDerWaalsContact CE1-CG 3.47Å; F129-M137 HydrophobicContact CE1-SD 4.4Å; F129-M137 HydrophobicContact CE2-CB 4.23Å; F129-M137 HydrophobicContact CZ-CB 3.5Å; F129-M137 VanDerWaalsContact CZ-CB 3.5Å; F129-M137 HydrophobicContact CZ-CG 3.71Å; T133-M137 PolarHBondContact O-N 3.48Å; A134-M137 PolarHBondContact O-N 3.25Å; M137-A140 WeakPolarHBondContact O-CB 3.5Å; M137-A140 PolarHBondContact O-N 3.44Å; M137-A140 HydrophobicContact SD-CB 4.37Å; M137-L141 HydrophobicContact CG-CD1 3.79Å; M137-L141 HydrophobicContact CG-CG 3.97Å; M137-L141 WeakPolarHBondContact O-CG 3.38Å; M137-L141 PolarHBondContact O-N 3Å; M137-L141 HydrophobicContact SD-CD1 3.75Å; M137-L141 HydrophobicContact SD-CD2 3.87Å; M137-L141 HydrophobicContact SD-CG 3.54Å; M137-L141 VanDerWaalsContact SD-CG 3.54Å; M137-M230 HydrophobicContact CB-CG 4.37Å; M137-M230 HydrophobicContact CB-SD 4.24Å; M137-M230 HydrophobicContact CG-CE 4.28Å; M137-M230 HydrophobicContact CG-SD 3.79Å
138F94.9Very high93Very high26 Ų2650.2 Ų50.211%0.11424%0.239CC..Hα-helixtrans-59.7-53.2174.7-178.1-85.2000112A134 E135 Q136 A140 L141 I142 E143 V212 P226 I227 M230A134-F138 VanDerWaalsContact O-CB 3.3Å; A134-F138 WeakPolarHBondContact O-CB 3.19Å; A134-F138 PolarHBondContact O-N 3.22Å; E135-F138 WeakPolarHBondContact O-CB 3.32Å; E135-F138 PolarHBondContact O-N 3.19Å; Q136-F138 PolarHBondContact O-N 3.07Å; Q136-F138 VanDerWaalsContact O-N 3.17Å; F138-A140 PolarHBondContact O-N 2.94Å; F138-L141 PolarHBondContact O-N 3.09Å; F138-I142 HydrophobicContact CD1-CB 4.31Å; F138-I142 HydrophobicContact CD2-CB 4.32Å; F138-I142 HydrophobicContact CD2-CG1 3.74Å; F138-I142 HydrophobicContact CE1-CB 4.07Å; F138-I142 HydrophobicContact CE1-CG2 4.16Å; F138-I142 HydrophobicContact CE2-CB 4.07Å; F138-I142 HydrophobicContact CE2-CG1 3.71Å; F138-I142 HydrophobicContact CE2-CG2 4.11Å; F138-I142 HydrophobicContact CG-CB 4.43Å; F138-I142 HydrophobicContact CG-CG1 4.17Å; F138-I142 HydrophobicContact CZ-CB 3.94Å; F138-I142 HydrophobicContact CZ-CG1 4.13Å; F138-I142 HydrophobicContact CZ-CG2 3.74Å; F138-I142 WeakPolarHBondContact O-CA 3.43Å; F138-I142 WeakPolarHBondContact O-CB 3.35Å; F138-I142 WeakPolarHBondContact O-CG1 2.94Å; F138-I142 PolarHBondContact O-N 2.71Å; F138-E143 HydrophobicContact CE1-CG 4.3Å; F138-V212 HydrophobicContact CD2-CG2 3.8Å; F138-V212 HydrophobicContact CE2-CG2 3.78Å; F138-P226 HydrophobicContact CD2-CB 4.23Å; F138-P226 HydrophobicContact CE2-CB 3.53Å; F138-P226 HydrophobicContact CZ-CB 4.27Å; F138-I227 HydrophobicContact CB-CG1 4.31Å; F138-I227 HydrophobicContact CD1-CG1 4.4Å; F138-I227 HydrophobicContact CD2-CG1 4.28Å; F138-I227 HydrophobicContact CG-CG1 4.07Å; F138-M230 HydrophobicContact CB-CE 4.31Å; F138-M230 HydrophobicContact CD2-CE 4.45Å
139K92.6Very high92.9Very high83 Ų8348.6 Ų48.636%0.36124%0.244SC..Iπ-helixtrans-57.8-39.8177.6171.3169.6-173.3-177.30111.7E135 Q136 E143 V144E135-K139 PolarHBondContact O-N 2.92Å; Q136-K139 PolarHBondContact O-N 3.45Å; K139-E143 HydrophobicContact CG-CB 4.27Å; K139-E143 WeakPolarHBondContact CG-OE2 3.29Å; K139-E143 CarbonylContact O-C 3.54Å; K139-E143 WeakPolarHBondContact O-CA 3.42Å; K139-E143 VanDerWaalsContact O-CB 3.29Å; K139-E143 WeakPolarHBondContact O-CB 3.28Å; K139-E143 PolarHBondContact O-N 2.7Å; K139-V144 PolarHBondContact O-N 3.16Å; K139-V144 VanDerWaalsContact O-N 3.07Å
140A91.7Very high93Very high1 Ų150.6 Ų50.61%0.00826%0.26CS..Iπ-helixtrans-63.7-5317800000114.6R94 Q136 M137 F138 V144 L145R94-A140 HydrophobicContact CG-CB 3.28Å; Q136-A140 WeakPolarHBondContact O-CB 3.17Å; Q136-A140 PolarHBondContact O-N 2.65Å; M137-A140 WeakPolarHBondContact O-CB 3.5Å; M137-A140 PolarHBondContact O-N 3.44Å; M137-A140 HydrophobicContact SD-CB 4.37Å; F138-A140 PolarHBondContact O-N 2.94Å; A140-V144 WeakPolarHBondContact O-CB 3.21Å; A140-L145 WeakPolarHBondContact O-CG 3.36Å; A140-L145 PolarHBondContact O-N 3.17Å
141L94.7Very high93.2Very high0 Ų047.6 Ų47.60%025%0.252CS..Iπ-helixtrans-77.8-44.9-176.7-60.2-173.5000111T120 L121 C126 M137 F138 L145 S146 L209 M210 M230T120-L141 HydrophobicContact CG2-CD2 3.9Å; L121-L141 HydrophobicContact CB-CD2 3.96Å; L121-L141 HydrophobicContact CD1-CD2 4.21Å; C126-L141 HydrophobicContact CB-CD1 3.95Å; M137-L141 HydrophobicContact CG-CD1 3.79Å; M137-L141 HydrophobicContact CG-CG 3.97Å; M137-L141 WeakPolarHBondContact O-CG 3.38Å; M137-L141 PolarHBondContact O-N 3Å; M137-L141 HydrophobicContact SD-CD1 3.75Å; M137-L141 HydrophobicContact SD-CD2 3.87Å; M137-L141 HydrophobicContact SD-CG 3.54Å; M137-L141 VanDerWaalsContact SD-CG 3.54Å; F138-L141 PolarHBondContact O-N 3.09Å; L141-L145 HydrophobicContact CD2-CD1 3.97Å; L141-S146 WeakPolarHBondContact O-CB 3.29Å; L141-S146 PolarHBondContact O-N 3.12Å; L141-L209 HydrophobicContact CD1-CB 4.08Å; L141-M210 HydrophobicContact CB-CG 4.3Å; L141-M210 HydrophobicContact CD1-CG 4.42Å; L141-M210 WeakPolarHBondContact O-CE 3.45Å; L141-M230 HydrophobicContact CD1-CE 4.19Å
142I95.1Very high93.4Very high25 Ų2544.5 Ų44.513%0.12824%0.237CC..Iπ-helixtrans-93.2-42.6-168.3-49.4-55.5000112.4F138 S146 M210 V212F138-I142 HydrophobicContact CD1-CB 4.31Å; F138-I142 HydrophobicContact CD2-CB 4.32Å; F138-I142 HydrophobicContact CD2-CG1 3.74Å; F138-I142 HydrophobicContact CE1-CB 4.07Å; F138-I142 HydrophobicContact CE1-CG2 4.16Å; F138-I142 HydrophobicContact CE2-CB 4.07Å; F138-I142 HydrophobicContact CE2-CG1 3.71Å; F138-I142 HydrophobicContact CE2-CG2 4.11Å; F138-I142 HydrophobicContact CG-CB 4.43Å; F138-I142 HydrophobicContact CG-CG1 4.17Å; F138-I142 HydrophobicContact CZ-CB 3.94Å; F138-I142 HydrophobicContact CZ-CG1 4.13Å; F138-I142 HydrophobicContact CZ-CG2 3.74Å; F138-I142 WeakPolarHBondContact O-CA 3.43Å; F138-I142 WeakPolarHBondContact O-CB 3.35Å; F138-I142 WeakPolarHBondContact O-CG1 2.94Å; F138-I142 PolarHBondContact O-N 2.71Å; I142-S146 PolarHBondContact O-OG 2.66Å; I142-M210 WeakPolarHBondContact CD1-O 3.44Å; I142-V212 HydrophobicContact CD1-CG2 4.21Å; I142-V212 HydrophobicContact CG1-CG2 4.19Å
143E92Very high93.7Very high106 Ų10646.5 Ų46.550%0.49524%0.239SC..Iπ-helixtrans-86.6-22.2-178.2-59.3177.4-169.200112.8F138 K139 K147F138-E143 HydrophobicContact CE1-CG 4.3Å; K139-E143 HydrophobicContact CG-CB 4.27Å; K139-E143 WeakPolarHBondContact CG-OE2 3.29Å; K139-E143 CarbonylContact O-C 3.54Å; K139-E143 WeakPolarHBondContact O-CA 3.42Å; K139-E143 VanDerWaalsContact O-CB 3.29Å; K139-E143 WeakPolarHBondContact O-CB 3.28Å; K139-E143 PolarHBondContact O-N 2.7Å; E143-K147 VanDerWaalsContact O-CG 3.23Å; E143-K147 WeakPolarHBondContact O-CG 3.22Å
144V90.2Very high93.8Very high16 Ų1643.6 Ų43.610%0.09722%0.222CC..Iπ-helixtrans-110.4-69.6-177.5173.50000112W90 K139 A140 S146 K147W90-V144 HydrophobicContact CB-CG1 4.4Å; W90-V144 HydrophobicContact CD2-CG1 3.98Å; W90-V144 HydrophobicContact CE3-CB 4.39Å; W90-V144 HydrophobicContact CE3-CG1 3.32Å; W90-V144 HydrophobicContact CE3-CG2 4.33Å; W90-V144 HydrophobicContact CG-CG1 4.45Å; W90-V144 HydrophobicContact CZ3-CG1 3.86Å; K139-V144 PolarHBondContact O-N 3.16Å; K139-V144 VanDerWaalsContact O-N 3.07Å; A140-V144 WeakPolarHBondContact O-CB 3.21Å; V144-S146 PolarHBondContact O-N 3.29Å; V144-K147 WeakPolarHBondContact O-CB 3.42Å; V144-K147 PolarHBondContact O-N 2.69Å
145L92.9Very high93.9Very high3 Ų347.3 Ų47.32%0.01624%0.235CC..G310 helixtrans-68.2-36.7-169.8-67.2178.6000112.9V115 T117 T120 L121 A140 L141 K147 L148 I200V115-L145 HydrophobicContact CG2-CD2 4.03Å; T117-L145 HydrophobicContact CG2-CD1 4.27Å; T120-L145 HydrophobicContact CG2-CD1 3.78Å; L121-L145 HydrophobicContact CB-CD1 3.82Å; L121-L145 HydrophobicContact CD2-CD1 3.87Å; L121-L145 HydrophobicContact CG-CD1 4.48Å; A140-L145 WeakPolarHBondContact O-CG 3.36Å; A140-L145 PolarHBondContact O-N 3.17Å; L141-L145 HydrophobicContact CD2-CD1 3.97Å; L145-K147 PolarHBondContact O-N 3.42Å; L145-K147 VanDerWaalsContact O-N 3.13Å; L145-L148 HydrophobicContact CD2-CD1 3.95Å; L145-L148 WeakPolarHBondContact O-CB 3.38Å; L145-L148 WeakPolarHBondContact O-CG 3.04Å; L145-L148 PolarHBondContact O-N 3.08Å; L145-I200 HydrophobicContact CB-CD1 4.42Å
146S94.4Very high94Very high21 Ų2143.2 Ų43.215%0.14722%0.218CC..G310 helixtrans-62.3-19.5176.7870000114L141 I142 V144 L148L141-S146 WeakPolarHBondContact O-CB 3.29Å; L141-S146 PolarHBondContact O-N 3.12Å; I142-S146 PolarHBondContact O-OG 2.66Å; V144-S146 PolarHBondContact O-N 3.29Å; S146-L148 VanDerWaalsContact C-N 3.34Å
147K93.3Very high94Very high154 Ų15441.7 Ų41.767%0.6722%0.218SC*.G310 helixtrans-86.6-8.4-177.5-54.5-53.9-179.9-167.10113.1E143 V144 L145E143-K147 VanDerWaalsContact O-CG 3.23Å; E143-K147 WeakPolarHBondContact O-CG 3.22Å; V144-K147 WeakPolarHBondContact O-CB 3.42Å; V144-K147 PolarHBondContact O-N 2.69Å; L145-K147 PolarHBondContact O-N 3.42Å; L145-K147 VanDerWaalsContact O-N 3.13Å
148L91.8Very high94.2Very high18 Ų1843.3 Ų43.39%0.09423%0.226CC..SBendtrans-67.4153.2170.8-60.6175.8000109.9L103 V115 L145 S146 T150 T152 I200L103-L148 HydrophobicContact CD1-CD1 4.34Å; L103-L148 HydrophobicContact CD1-CD2 4.15Å; L103-L148 HydrophobicContact CD2-CD2 3.75Å; V115-L148 HydrophobicContact CB-CD1 4.12Å; V115-L148 HydrophobicContact CG1-CD1 4.06Å; V115-L148 HydrophobicContact CG2-CD1 4.27Å; L145-L148 HydrophobicContact CD2-CD1 3.95Å; L145-L148 WeakPolarHBondContact O-CB 3.38Å; L145-L148 WeakPolarHBondContact O-CG 3.04Å; L145-L148 PolarHBondContact O-N 3.08Å; S146-L148 VanDerWaalsContact C-N 3.34Å; L148-T150 PolarHBondContact O-N 2.77Å; L148-T152 HydrophobicContact CB-CG2 4.47Å; L148-T152 HydrophobicContact CD1-CG2 4.26Å; L148-I200 HydrophobicContact CB-CG1 4.08Å; L148-I200 HydrophobicContact CD1-CD1 4.23Å; L148-I200 HydrophobicContact CD1-CG1 4.35Å
149P93.2Very high94.2Very high84 Ų8445.6 Ų45.655%0.54524%0.237SC..  trans-50.4137.6171.9-26.834000111T151 T152P149-T151 PolarHBondContact O-N 3.4Å; P149-T152 WeakPolarHBondContact CD-OG1 3.41Å; P149-T152 WeakPolarHBondContact O-CB 3.48Å; P149-T152 PolarHBondContact O-N 3.3Å; P149-T152 PolarHBondContact O-OG1 3.36Å
150T95.8Very high94.5Very high84 Ų8446.8 Ų46.852%0.51524%0.24SC..THydrogen-bonded Turntrans-57.1-24.9-178.451.40000112.8L148 T152 G201 L204L148-T150 PolarHBondContact O-N 2.77Å; T150-T152 VanDerWaalsContact C-N 3.34Å; T150-G201 WeakPolarHBondContact O-CA 3.35Å; T150-G201 PolarHBondContact O-N 2.97Å; T150-L204 HydrophobicContact CG2-CD1 4.42Å
151T95.1Very high94.8Very high58 Ų5846.8 Ų46.836%0.35624%0.239SC..THydrogen-bonded Turntrans-80.1-11.6177.955.20000114.6E112 P149 K153E112-T151 VanDerWaalsContact OE1-CB 3.23Å; E112-T151 WeakPolarHBondContact OE1-CB 3.2Å; E112-T151 WeakPolarHBondContact OE1-CG2 3.5Å; E112-T151 VanDerWaalsContact OE2-O 3.13Å; P149-T151 PolarHBondContact O-N 3.4Å; T151-K153 PolarHBondContact O-N 3.46Å
152T93.9Very high95Very high2 Ų248.3 Ų48.31%0.01225%0.249CC..  trans-57124.9-179.7-53.90000110.3L103 G113 V115 L148 P149 T150 T199 I200L103-T152 HydrophobicContact CD1-CG2 4.05Å; G113-T152 WeakPolarHBondContact O-CA 3.34Å; G113-T152 WeakPolarHBondContact O-CG2 3.49Å; V115-T152 HydrophobicContact CB-CG2 4.26Å; V115-T152 HydrophobicContact CG1-CG2 4.05Å; L148-T152 HydrophobicContact CB-CG2 4.47Å; L148-T152 HydrophobicContact CD1-CG2 4.26Å; P149-T152 WeakPolarHBondContact CD-OG1 3.41Å; P149-T152 WeakPolarHBondContact O-CB 3.48Å; P149-T152 PolarHBondContact O-N 3.3Å; P149-T152 PolarHBondContact O-OG1 3.36Å; T150-T152 VanDerWaalsContact C-N 3.34Å; T152-T199 VanDerWaalsContact O-CA 3.27Å; T152-T199 WeakPolarHBondContact O-CA 3.5Å; T152-I200 HydrophobicContact CG2-CG1 4.4Å; T152-I200 PolarHBondContact O-N 3.4Å
153K96.3Very high95.1Very high66 Ų6654.3 Ų54.329%0.28727%0.274SS..EExtended strand (participates in β ladder)trans-71.1137.7179.1-59.2-47.9-174.5-144.90110.9E112 G113 A114 V115 T151 Y155 P197 G198 T199E112-K153 WeakPolarHBondContact OE2-CE 3.28Å; E112-K153 IonicContact OE2-NZ 2.7Å; E112-K153 PolarHBondContact OE2-NZ 3Å; G113-K153 PolarHBondContact O-N 2.64Å; A114-K153 CarbonylContact C-O 3.24Å; A114-K153 WeakPolarHBondContact CA-O 3.22Å; A114-K153 HydrophobicContact CB-CB 4.27Å; V115-K153 WeakPolarHBondContact CG1-O 3.29Å; V115-K153 PolarHBondContact N-O 2.77Å; T151-K153 PolarHBondContact O-N 3.46Å; K153-Y155 HydrophobicContact CB-CD2 4.32Å; K153-Y155 HydrophobicContact CB-CE2 3.8Å; K153-P197 HydrophobicContact CB-CB 4.03Å; K153-G198 CarbonylContact C-O 3.5Å; K153-G198 WeakPolarHBondContact CA-O 3.47Å; K153-T199 HydrophobicContact CD-CG2 3.89Å
154V96.5Very high95.4Very high0 Ų049.3 Ų49.30%025%0.251CS..EExtended strand (participates in β ladder)trans-109.4118.7177.8-1800000109.5V115 T117 L121 L123 P197 G198 I200V115-V154 HydrophobicContact CG1-CG2 3.98Å; T117-V154 HydrophobicContact CG2-CG1 4.09Å; L121-V154 HydrophobicContact CD2-CG1 3.99Å; L121-V154 HydrophobicContact CD2-CG2 4.3Å; L121-V154 HydrophobicContact CG-CG1 4.26Å; L123-V154 HydrophobicContact CD2-CB 4.16Å; L123-V154 HydrophobicContact CD2-CG1 4.05Å; V154-P197 VanDerWaalsContact O-CA 3.31Å; V154-P197 WeakPolarHBondContact O-CA 3.39Å; V154-G198 PolarHBondContact N-O 3.2Å; V154-G198 PolarHBondContact O-N 2.81Å; V154-G198 VanDerWaalsContact O-N 3.1Å; V154-I200 HydrophobicContact CG2-CD1 3.67Å; V154-I200 HydrophobicContact CG2-CG1 3.97Å
155Y96.6Very high95.8Very high82 Ų8248.5 Ų48.532%0.32225%0.246SC..EExtended strand (participates in β ladder)trans-112.7105.1173.2-69.8-89000109A114 V115 F116 T117 K153 P197A114-Y155 HydrophobicContact CB-CD2 4.11Å; A114-Y155 HydrophobicContact CB-CE2 3.93Å; V115-Y155 PolarHBondContact O-N 3.32Å; F116-Y155 WeakPolarHBondContact CA-O 3.29Å; F116-Y155 VanDerWaalsContact CD1-CB 3.46Å; F116-Y155 HydrophobicContact CD1-CD2 4.25Å; F116-Y155 HydrophobicContact CD1-CG 4.03Å; F116-Y155 HydrophobicContact CE1-CD1 4.5Å; F116-Y155 AromaticContact CE1-CD2 3.89Å; F116-Y155 HydrophobicContact CE1-CD2 3.89Å; F116-Y155 AromaticContact CE1-CG 3.82Å; F116-Y155 HydrophobicContact CE1-CG 3.82Å; F116-Y155 HydrophobicContact CZ-CD2 4.45Å; T117-Y155 PolarHBondContact N-O 3.03Å; T117-Y155 PolarHBondContact OG1-O 2.97Å; K153-Y155 HydrophobicContact CB-CD2 4.32Å; K153-Y155 HydrophobicContact CB-CE2 3.8Å; Y155-P197 HydrophobicContact CD1-CB 4.13Å; Y155-P197 HydrophobicContact CD2-CB 4.2Å; Y155-P197 HydrophobicContact CE1-CB 3.74Å; Y155-P197 HydrophobicContact CE1-CG 4.03Å; Y155-P197 HydrophobicContact CE2-CB 3.83Å; Y155-P197 HydrophobicContact CE2-CG 4.36Å; Y155-P197 HydrophobicContact CG-CB 4.35Å
156C96.2Very high96.1Very high15 Ų1551.6 Ų51.610%0.10126%0.26CS..EExtended strand (participates in β ladder)trans-101.3166.6-177.266.50000112.9T117 L121 F122 H158T117-C156 WeakPolarHBondContact OG1-CA 3.47Å; T117-C156 WeakPolarHBondContact OG1-CB 3.5Å; L121-C156 WeakPolarHBondContact O-CB 3.33Å; F122-C156 HydrophobicContact CD1-CB 3.83Å; C156-H158 PolarHBondContact O-N 3.1Å
157G94Very high96.3Very high29 Ų2950.7 Ų50.730%0.29925%0.254SS..SBendtrans-69-27.9-172.900000116.1G118G118-G157 PolarHBondContact O-N 3.18Å
158H96.1Very high96.6Very high37 Ų3743.4 Ų43.417%0.17122%0.222CC..SBendtrans-138.9148.6-166.6-67.1-83.7000114.1D37 H38 D119 F122 C156 Y160D37-H158 IonicContact OD2-CE1 3.53Å; D37-H158 PolarHBondContact OD2-CE1 2.81Å; D37-H158 IonicContact OD2-NE2 2.7Å; D37-H158 PolarHBondContact OD2-NE2 3.11Å; H38-H158 AromaticContact CE1-NE2 3.71Å; H38-H158 AromaticContact NE2-CD2 3.94Å; H38-H158 AromaticContact NE2-CE1 3.94Å; H38-H158 AromaticContact NE2-NE2 3.09Å; H38-H158 PolarHBondContact NE2-NE2 2.81Å; D119-H158 IonicContact OD1-CD2 3.29Å; D119-H158 PolarHBondContact OD1-CD2 3.13Å; D119-H158 IonicContact OD1-NE2 3.87Å; D119-H158 PolarHBondContact OD1-NE2 2.79Å; D119-H158 IonicContact OD2-CD2 3.36Å; D119-H158 PolarHBondContact OD2-CD2 3.45Å; D119-H158 IonicContact OD2-NE2 2.74Å; D119-H158 PolarHBondContact OD2-NE2 3.1Å; F122-H158 HydrophobicContact CD1-CB 4.3Å; F122-H158 HydrophobicContact CE1-CB 3.81Å; F122-H158 AromaticContact CE1-CD2 3.59Å; F122-H158 HydrophobicContact CZ-CB 4.26Å; F122-H158 AromaticContact CZ-CD2 3.64Å; C156-H158 PolarHBondContact O-N 3.1Å; H158-Y160 VanDerWaalsContact C-N 3.27Å; H158-Y160 HydrophobicContact CB-CD1 4.02Å; H158-Y160 HydrophobicContact CB-CD2 3.58Å; H158-Y160 HydrophobicContact CB-CE1 3.85Å; H158-Y160 HydrophobicContact CB-CE2 3.42Å; H158-Y160 VanDerWaalsContact CB-CE2 3.42Å; H158-Y160 HydrophobicContact CB-CG 3.88Å; H158-Y160 AromaticContact CG-CE2 3.66Å; H158-Y160 AromaticContact CG-CZ 3.63Å; H158-Y160 AromaticContact ND1-CZ 3.76Å; H158-Y160 PolarHBondContact ND1-OH 3.39Å; H158-Y160 PolarHBondContact O-N 3.01Å
159E96.5Very high96.9Very high74 Ų7444.6 Ų44.635%0.34623%0.228SC..  trans-84.463.3176.2-172.955.9-88.800111.3T161 R189 A194 S195E159-T161 PolarHBondContact OE1-OG1 3.43Å; E159-R189 IonicContact OE2-CZ 3.22Å; E159-R189 IonicContact OE2-NE 2.71Å; E159-A194 WeakPolarHBondContact OE2-CA 3.08Å; E159-S195 VanDerWaalsContact CD-OG 3.25Å; E159-S195 VanDerWaalsContact OE1-CB 3.31Å; E159-S195 WeakPolarHBondContact OE1-CB 3.25Å; E159-S195 PolarHBondContact OE1-OG 3.06Å; E159-S195 PolarHBondContact OE2-N 3.16Å; E159-S195 PolarHBondContact OE2-OG 3.3Å
160Y97.7Very high97.1Very high107 Ų10743.6 Ų43.642%0.4222%0.221SC..  trans-100.42.7-179.6-63.2-22.9000114F122 H158 V162 K163 N164F122-Y160 HydrophobicContact CD2-CD2 4.11Å; F122-Y160 AromaticContact CE2-CD2 3.93Å; F122-Y160 HydrophobicContact CE2-CD2 3.93Å; F122-Y160 HydrophobicContact CE2-CE2 4.16Å; F122-Y160 HydrophobicContact CG-CD2 4.45Å; F122-Y160 HydrophobicContact CZ-CD2 4.15Å; F122-Y160 HydrophobicContact CZ-CE2 4.13Å; H158-Y160 VanDerWaalsContact C-N 3.27Å; H158-Y160 HydrophobicContact CB-CD1 4.02Å; H158-Y160 HydrophobicContact CB-CD2 3.58Å; H158-Y160 HydrophobicContact CB-CE1 3.85Å; H158-Y160 HydrophobicContact CB-CE2 3.42Å; H158-Y160 VanDerWaalsContact CB-CE2 3.42Å; H158-Y160 HydrophobicContact CB-CG 3.88Å; H158-Y160 AromaticContact CG-CE2 3.66Å; H158-Y160 AromaticContact CG-CZ 3.63Å; H158-Y160 AromaticContact ND1-CZ 3.76Å; H158-Y160 PolarHBondContact ND1-OH 3.39Å; H158-Y160 PolarHBondContact O-N 3.01Å; Y160-V162 PolarHBondContact O-N 2.93Å; Y160-K163 PolarHBondContact O-N 3.48Å; Y160-N164 WeakPolarHBondContact O-CB 3.5Å; Y160-N164 VanDerWaalsContact O-CG 3.24Å; Y160-N164 PolarHBondContact O-N 3.05Å
161T98.4Very high97.3Very high1 Ų139.8 Ų39.81%0.00620%0.197CC..Hα-helixtrans-56.4-44.4-164.4-48.50000114L123 E159 N164 L165 V185 S195L123-T161 HydrophobicContact CB-CG2 3.58Å; L123-T161 WeakPolarHBondContact CB-OG1 3.2Å; L123-T161 HydrophobicContact CD1-CG2 4.3Å; E159-T161 PolarHBondContact OE1-OG1 3.43Å; T161-N164 PolarHBondContact O-N 2.78Å; T161-L165 HydrophobicContact CG2-CD1 3.93Å; T161-L165 HydrophobicContact CG2-CG 4.4Å; T161-L165 WeakPolarHBondContact O-CB 3.14Å; T161-L165 VanDerWaalsContact O-CG 3.27Å; T161-L165 WeakPolarHBondContact O-CG 2.82Å; T161-L165 PolarHBondContact O-N 3.13Å; T161-V185 HydrophobicContact CG2-CB 4.39Å; T161-V185 HydrophobicContact CG2-CG1 3.75Å; T161-V185 HydrophobicContact CG2-CG2 3.89Å; T161-S195 WeakPolarHBondContact CB-OG 3.47Å; T161-S195 PolarHBondContact OG1-OG 2.91Å
162V98.3Very high97.4Very high33 Ų3337.1 Ų37.120%0.218%0.181CC..Hα-helixtrans-61.3-52.5179.2176.30000111.1Y160 N164 L165 E166 L182 V185 K186 R189Y160-V162 PolarHBondContact O-N 2.93Å; V162-N164 VanDerWaalsContact C-N 3.28Å; V162-N164 PolarHBondContact O-N 3.36Å; V162-L165 PolarHBondContact O-N 3.26Å; V162-E166 HydrophobicContact CG1-CG 4.43Å; V162-E166 WeakPolarHBondContact O-CG 3.33Å; V162-E166 PolarHBondContact O-N 3.37Å; V162-L182 HydrophobicContact CG1-CD1 4.22Å; V162-V185 HydrophobicContact CG2-CG1 3.7Å; V162-K186 HydrophobicContact CG1-CG 4.18Å; V162-K186 HydrophobicContact CG2-CG 4.41Å; V162-R189 HydrophobicContact CG2-CB 4.47Å; V162-R189 HydrophobicContact CG2-CG 3.92Å
163K98.3Very high97.6Very high150 Ų15040.9 Ų40.965%0.65221%0.205SC*.Hα-helixtrans-62.9-37.2179.8-71.4-168.8173.9-170.60112.1Y160 F167Y160-K163 PolarHBondContact O-N 3.48Å; K163-F167 PolarHBondContact O-N 2.92Å
164N98.7Very high97.7Very high1 Ų145.8 Ų45.81%0.00523%0.226CC..Hα-helixtrans-62.3-45.9176.4-76.6-10.4000111.9F122 L123 G124 Y160 T161 V162 F167 G168 K237F122-N164 WeakPolarHBondContact CB-ND2 3.47Å; L123-N164 WeakPolarHBondContact O-CB 3.3Å; L123-N164 PolarHBondContact O-ND2 3.09Å; G124-N164 WeakPolarHBondContact O-CB 3.44Å; Y160-N164 WeakPolarHBondContact O-CB 3.5Å; Y160-N164 VanDerWaalsContact O-CG 3.24Å; Y160-N164 PolarHBondContact O-N 3.05Å; T161-N164 PolarHBondContact O-N 2.78Å; V162-N164 VanDerWaalsContact C-N 3.28Å; V162-N164 PolarHBondContact O-N 3.36Å; N164-F167 PolarHBondContact O-N 3.5Å; N164-G168 PolarHBondContact O-N 3.23Å; N164-K237 WeakPolarHBondContact OD1-CE 3.18Å; N164-K237 PolarHBondContact OD1-NZ 2.82Å
165L98.7Very high97.8Very high0 Ų046.8 Ų46.80%023%0.232CC..Hα-helixtrans-71.6-35.6178-67.2173.7000112.2T161 V162 F167 G168 L169 L178 R181 L182 V185T161-L165 HydrophobicContact CG2-CD1 3.93Å; T161-L165 HydrophobicContact CG2-CG 4.4Å; T161-L165 WeakPolarHBondContact O-CB 3.14Å; T161-L165 VanDerWaalsContact O-CG 3.27Å; T161-L165 WeakPolarHBondContact O-CG 2.82Å; T161-L165 PolarHBondContact O-N 3.13Å; V162-L165 PolarHBondContact O-N 3.26Å; L165-F167 VanDerWaalsContact C-N 3.35Å; L165-G168 WeakPolarHBondContact O-CA 3.25Å; L165-G168 PolarHBondContact O-N 2.83Å; L165-G168 VanDerWaalsContact O-N 3.14Å; L165-L169 PolarHBondContact O-N 3.03Å; L165-L178 HydrophobicContact CD2-CG 4.3Å; L165-L178 WeakPolarHBondContact O-CD2 3.17Å; L165-R181 HydrophobicContact CD1-CB 4.4Å; L165-R181 HydrophobicContact CD1-CG 3.96Å; L165-L182 HydrophobicContact CB-CB 4.17Å; L165-L182 HydrophobicContact CB-CD1 3.78Å; L165-L182 HydrophobicContact CB-CG 4.47Å; L165-L182 HydrophobicContact CD1-CB 4.37Å; L165-L182 HydrophobicContact CD1-CD1 4.49Å; L165-V185 HydrophobicContact CD1-CB 4.34Å; L165-V185 HydrophobicContact CD1-CG2 4.05Å
166E98.6Very high97.9Very high67 Ų6747.5 Ų47.531%0.31324%0.238SC..Hα-helixtrans-60.3-44.6172.1-74.8174.8160.200111.6V162 G168 L169 L182 K186 F240V162-E166 HydrophobicContact CG1-CG 4.43Å; V162-E166 WeakPolarHBondContact O-CG 3.33Å; V162-E166 PolarHBondContact O-N 3.37Å; E166-G168 VanDerWaalsContact C-N 3.34Å; E166-L169 PolarHBondContact O-N 3.48Å; E166-L182 HydrophobicContact CG-CD1 3.98Å; E166-L182 HydrophobicContact CG-CD2 4.07Å; E166-K186 WeakPolarHBondContact OE1-CE 3.47Å; E166-K186 IonicContact OE1-NZ 3.71Å; E166-K186 PolarHBondContact OE1-NZ 2.91Å; E166-F240 HydrophobicContact CB-CZ 4.36Å
167F98.7Very high98Very high3 Ų348.9 Ų48.91%0.01325%0.25CS..Hα-helixtrans-61.1-43.5171.1173.9-99.6000111.4K163 N164 L165 L169 T170 V171 P208 I233 E236 K237 F240K163-F167 PolarHBondContact O-N 2.92Å; N164-F167 PolarHBondContact O-N 3.5Å; L165-F167 VanDerWaalsContact C-N 3.35Å; F167-L169 VanDerWaalsContact C-N 3.26Å; F167-L169 PolarHBondContact O-N 3.06Å; F167-T170 WeakPolarHBondContact O-CB 3.12Å; F167-T170 PolarHBondContact O-N 3.05Å; F167-T170 PolarHBondContact O-OG1 2.82Å; F167-V171 HydrophobicContact CD1-CG2 4.46Å; F167-V171 HydrophobicContact CE1-CG2 3.79Å; F167-V171 HydrophobicContact CE2-CG2 4.5Å; F167-V171 HydrophobicContact CZ-CG2 3.81Å; F167-V171 PolarHBondContact O-N 3.4Å; F167-P208 HydrophobicContact CD1-CG 4.41Å; F167-P208 HydrophobicContact CE1-CG 4.37Å; F167-I233 HydrophobicContact CE1-CG2 3.59Å; F167-I233 HydrophobicContact CZ-CG2 3.85Å; F167-I233 WeakPolarHBondContact CZ-O 3.25Å; F167-E236 HydrophobicContact CE2-CB 4.06Å; F167-E236 HydrophobicContact CZ-CB 4.08Å; F167-K237 HydrophobicContact CB-CG 4.47Å; F167-K237 HydrophobicContact CD1-CB 3.95Å; F167-K237 HydrophobicContact CD1-CD 3.64Å; F167-K237 HydrophobicContact CD1-CG 3.7Å; F167-K237 HydrophobicContact CD2-CB 4.1Å; F167-K237 HydrophobicContact CD2-CG 4.07Å; F167-K237 HydrophobicContact CE1-CB 3.62Å; F167-K237 HydrophobicContact CE1-CD 3.95Å; F167-K237 HydrophobicContact CE1-CG 3.92Å; F167-K237 VanDerWaalsContact CE2-CA 3.46Å; F167-K237 HydrophobicContact CE2-CB 3.79Å; F167-K237 HydrophobicContact CE2-CG 4.27Å; F167-K237 HydrophobicContact CG-CB 4.18Å; F167-K237 HydrophobicContact CG-CD 4.14Å; F167-K237 HydrophobicContact CG-CG 3.78Å; F167-K237 HydrophobicContact CZ-CB 3.54Å; F167-K237 HydrophobicContact CZ-CG 4.2Å; F167-F240 HydrophobicContact CB-CD1 3.85Å; F167-F240 HydrophobicContact CB-CE1 3.91Å; F167-F240 HydrophobicContact CB-CG 4.38Å; F167-F240 HydrophobicContact CB-CZ 4.5Å; F167-F240 HydrophobicContact CD2-CB 3.79Å; F167-F240 HydrophobicContact CD2-CD1 4.07Å; F167-F240 HydrophobicContact CD2-CD2 4.2Å; F167-F240 AromaticContact CD2-CG 3.76Å; F167-F240 HydrophobicContact CD2-CG 3.76Å; F167-F240 HydrophobicContact CE2-CB 4.32Å; F167-F240 HydrophobicContact CG-CD1 4.41Å
168G98.6Very high98.2Very high0 Ų047.5 Ų47.50%024%0.236CC..Hα-helixtrans-55.1-36.9176.900000114N164 L165 E166 T170 V171 E172N164-G168 PolarHBondContact O-N 3.23Å; L165-G168 WeakPolarHBondContact O-CA 3.25Å; L165-G168 PolarHBondContact O-N 2.83Å; L165-G168 VanDerWaalsContact O-N 3.14Å; E166-G168 VanDerWaalsContact C-N 3.34Å; G168-T170 VanDerWaalsContact C-N 3.26Å; G168-T170 PolarHBondContact O-N 3.02Å; G168-V171 PolarHBondContact O-N 3.04Å; G168-V171 VanDerWaalsContact O-N 3.16Å; G168-E172 PolarHBondContact O-N 2.95Å
169L98.5Very high98.3Very high43 Ų4349 Ų4923%0.22524%0.242CC..Hα-helixtrans-68.1-21174.2-75.4178000114.1L165 E166 F167 V171 P173 L178 K179 L182L165-L169 PolarHBondContact O-N 3.03Å; E166-L169 PolarHBondContact O-N 3.48Å; F167-L169 VanDerWaalsContact C-N 3.26Å; F167-L169 PolarHBondContact O-N 3.06Å; L169-V171 VanDerWaalsContact C-N 3.33Å; L169-P173 VanDerWaalsContact O-CA 3.25Å; L169-P173 WeakPolarHBondContact O-CA 3.02Å; L169-P173 WeakPolarHBondContact O-CB 3.46Å; L169-L178 HydrophobicContact CB-CD2 4.27Å; L169-L178 HydrophobicContact CD1-CD2 4.43Å; L169-L178 HydrophobicContact CD2-CD2 3.41Å; L169-L178 VanDerWaalsContact CD2-CD2 3.41Å; L169-L178 HydrophobicContact CG-CD2 3.36Å; L169-K179 HydrophobicContact CD2-CG 3.55Å; L169-L182 HydrophobicContact CD1-CD2 3.43Å; L169-L182 VanDerWaalsContact CD1-CD2 3.43Å; L169-L182 HydrophobicContact CG-CD2 4.43Å
170T98.3Very high98.4Very high64 Ų6451.6 Ų51.639%0.39325%0.254SS..Hα-helixtrans-74.1-29.717375.50000111.6F167 G168 H220 F240F167-T170 WeakPolarHBondContact O-CB 3.12Å; F167-T170 PolarHBondContact O-N 3.05Å; F167-T170 PolarHBondContact O-OG1 2.82Å; G168-T170 VanDerWaalsContact C-N 3.26Å; G168-T170 PolarHBondContact O-N 3.02Å; T170-H220 PolarHBondContact O-CE1 3.29Å; T170-H220 PolarHBondContact O-ND1 3.24Å; T170-F240 HydrophobicContact CG2-CE2 3.95Å
171V98.6Very high98.4Very high4 Ų447.5 Ų47.52%0.02424%0.238CC..Hα-helixtrans-84.1-45.5178.3-1760000111.4F167 G168 L169 P173 P208 V217 H220 I233F167-V171 HydrophobicContact CD1-CG2 4.46Å; F167-V171 HydrophobicContact CE1-CG2 3.79Å; F167-V171 HydrophobicContact CE2-CG2 4.5Å; F167-V171 HydrophobicContact CZ-CG2 3.81Å; F167-V171 PolarHBondContact O-N 3.4Å; G168-V171 PolarHBondContact O-N 3.04Å; G168-V171 VanDerWaalsContact O-N 3.16Å; L169-V171 VanDerWaalsContact C-N 3.33Å; V171-P173 WeakPolarHBondContact O-CD 3.11Å; V171-P208 HydrophobicContact CB-CB 4.18Å; V171-P208 HydrophobicContact CG1-CB 4.06Å; V171-P208 HydrophobicContact CG2-CB 4.31Å; V171-V217 HydrophobicContact CG1-CB 4.48Å; V171-V217 HydrophobicContact CG1-CG1 4.14Å; V171-V217 HydrophobicContact CG1-CG2 4.23Å; V171-H220 HydrophobicContact CG1-CB 4.14Å; V171-I233 HydrophobicContact CG1-CD1 3.7Å; V171-I233 HydrophobicContact CG2-CD1 3.97Å; V171-I233 HydrophobicContact CG2-CG2 4.22Å
172E98.5Very high98.4Very high2 Ų247.8 Ų47.81%0.00924%0.239CC..  trans-126.369.8-177.1-62.4-177.69200111.5G168 K174 N175 R211 D216 V217G168-E172 PolarHBondContact O-N 2.95Å; E172-K174 PolarHBondContact O-N 3.02Å; E172-N175 HydrophobicContact CB-CB 3.8Å; E172-N175 WeakPolarHBondContact O-CB 3.46Å; E172-N175 PolarHBondContact O-N 3.08Å; E172-R211 VanDerWaalsContact CD-NE 3.34Å; E172-R211 IonicContact OE1-CZ 2.94Å; E172-R211 VanDerWaalsContact OE1-CZ 3.29Å; E172-R211 IonicContact OE1-NE 3Å; E172-R211 PolarHBondContact OE1-NE 3.37Å; E172-R211 IonicContact OE1-NH2 3.64Å; E172-R211 PolarHBondContact OE1-NH2 3.49Å; E172-R211 WeakPolarHBondContact OE2-CD 3.39Å; E172-R211 IonicContact OE2-CZ 2.66Å; E172-R211 IonicContact OE2-NE 3.82Å; E172-R211 PolarHBondContact OE2-NE 3.4Å; E172-D216 HydrophobicContact CG-CB 4.49Å; E172-V217 HydrophobicContact CG-CG2 3.64Å
173P98.1Very high98.4Very high80 Ų8051 Ų5152%0.51925%0.252SS..THydrogen-bonded Turntrans-64.1-14.7-17424.4-35.2000114.7L169 V171 K179L169-P173 VanDerWaalsContact O-CA 3.25Å; L169-P173 WeakPolarHBondContact O-CA 3.02Å; L169-P173 WeakPolarHBondContact O-CB 3.46Å; V171-P173 WeakPolarHBondContact O-CD 3.11Å; P173-K179 WeakPolarHBondContact O-CE 3.41Å; P173-K179 PolarHBondContact O-NZ 2.79Å; P173-K179 VanDerWaalsContact O-NZ 3.16Å
174K98Very high98.4Very high169 Ų16945.6 Ų45.674%0.73524%0.235SC*.THydrogen-bonded Turntrans-100.10.7178.4-62.4-179.3-177.3174.70113.4E172 E176E172-K174 PolarHBondContact O-N 3.02Å; K174-E176 PolarHBondContact O-N 3.06Å; K174-E176 VanDerWaalsContact O-N 3.12Å
175N98.3Very high98.4Very high21 Ų2146 Ų4611%0.11224%0.238CC..  trans-77.299.7-179.8-175.5-21.9000110.7E172 A177 L178 K179 A205E172-N175 HydrophobicContact CB-CB 3.8Å; E172-N175 WeakPolarHBondContact O-CB 3.46Å; E172-N175 PolarHBondContact O-N 3.08Å; N175-A177 VanDerWaalsContact C-N 3.35Å; N175-A177 PolarHBondContact O-N 2.97Å; N175-A177 WeakPolarHBondContact OD1-CB 3.23Å; N175-A177 PolarHBondContact OD1-N 2.88Å; N175-A177 VanDerWaalsContact OD1-N 3.15Å; N175-L178 HydrophobicContact CB-CB 3.87Å; N175-L178 WeakPolarHBondContact O-CB 3.46Å; N175-L178 PolarHBondContact O-N 2.94Å; N175-L178 PolarHBondContact OD1-N 2.95Å; N175-K179 PolarHBondContact O-N 3.2Å; N175-K179 VanDerWaalsContact O-N 3.1Å; N175-A205 PolarHBondContact ND2-O 2.92Å
176E98.5Very high98.4Very high98 Ų9849.7 Ų49.746%0.45825%0.254SS..Hα-helixtrans-65.4-34-178.7-63.3-53.8130.300113.2K174 L178 K179 H180K174-E176 PolarHBondContact O-N 3.06Å; K174-E176 VanDerWaalsContact O-N 3.12Å; E176-L178 VanDerWaalsContact C-N 3.29Å; E176-L178 PolarHBondContact O-N 3.29Å; E176-K179 PolarHBondContact O-N 3.11Å; E176-K179 IonicContact OE1-NZ 3.1Å; E176-K179 PolarHBondContact OE1-NZ 2.68Å; E176-K179 IonicContact OE2-NZ 2.79Å; E176-H180 PolarHBondContact O-N 3.05Å
177A98.4Very high98.3Very high43 Ų4353.6 Ų53.636%0.35527%0.266SS..Hα-helixtrans-62.6-40.7175.200000110.9N175 H180 R181 A205 T206N175-A177 VanDerWaalsContact C-N 3.35Å; N175-A177 PolarHBondContact O-N 2.97Å; N175-A177 WeakPolarHBondContact OD1-CB 3.23Å; N175-A177 PolarHBondContact OD1-N 2.88Å; N175-A177 VanDerWaalsContact OD1-N 3.15Å; A177-H180 PolarHBondContact O-N 2.84Å; A177-R181 VanDerWaalsContact O-CB 3.31Å; A177-R181 WeakPolarHBondContact O-CB 3.3Å; A177-R181 PolarHBondContact O-N 3.29Å; A177-A205 HydrophobicContact CB-CB 4.34Å; A177-T206 HydrophobicContact CB-CG2 4.01Å
178L98.4Very high98.2Very high0 Ų056.4 Ų56.40%028%0.281CS..Hα-helixtrans-65.5-43.5177-161158.5000111.5L165 L169 N175 E176 R181 L182 T206L165-L178 HydrophobicContact CD2-CG 4.3Å; L165-L178 WeakPolarHBondContact O-CD2 3.17Å; L169-L178 HydrophobicContact CB-CD2 4.27Å; L169-L178 HydrophobicContact CD1-CD2 4.43Å; L169-L178 HydrophobicContact CD2-CD2 3.41Å; L169-L178 VanDerWaalsContact CD2-CD2 3.41Å; L169-L178 HydrophobicContact CG-CD2 3.36Å; N175-L178 HydrophobicContact CB-CB 3.87Å; N175-L178 WeakPolarHBondContact O-CB 3.46Å; N175-L178 PolarHBondContact O-N 2.94Å; N175-L178 PolarHBondContact OD1-N 2.95Å; E176-L178 VanDerWaalsContact C-N 3.29Å; E176-L178 PolarHBondContact O-N 3.29Å; L178-R181 PolarHBondContact O-N 3.38Å; L178-L182 WeakPolarHBondContact O-CB 3.42Å; L178-L182 PolarHBondContact O-N 3.46Å; L178-T206 HydrophobicContact CB-CG2 4.3Å; L178-T206 WeakPolarHBondContact CD1-O 3.3Å
179K98.6Very high98.1Very high69 Ų6960.3 Ų60.330%0.330%0.295SS..Hα-helixtrans-59.1-50.2174.1-68.2175.1-172.6167.90112L169 P173 N175 E176 R181 L182 E183L169-K179 HydrophobicContact CD2-CG 3.55Å; P173-K179 WeakPolarHBondContact O-CE 3.41Å; P173-K179 PolarHBondContact O-NZ 2.79Å; P173-K179 VanDerWaalsContact O-NZ 3.16Å; N175-K179 PolarHBondContact O-N 3.2Å; N175-K179 VanDerWaalsContact O-N 3.1Å; E176-K179 PolarHBondContact O-N 3.11Å; E176-K179 IonicContact OE1-NZ 3.1Å; E176-K179 PolarHBondContact OE1-NZ 2.68Å; E176-K179 IonicContact OE2-NZ 2.79Å; K179-R181 VanDerWaalsContact C-N 3.31Å; K179-R181 PolarHBondContact O-N 2.82Å; K179-L182 PolarHBondContact O-N 2.91Å; K179-E183 PolarHBondContact O-N 3.5Å; K179-E183 VanDerWaalsContact O-N 3.08Å
180H98.3Very high98Very high128 Ų12862.6 Ų62.659%0.59332%0.321SS*.Hα-helixtrans-60.8-41.4179-70.7172000112E176 A177 E183 A184E176-H180 PolarHBondContact O-N 3.05Å; A177-H180 PolarHBondContact O-N 2.84Å; H180-E183 PolarHBondContact O-N 3.24Å; H180-A184 WeakPolarHBondContact O-CB 3.4Å; H180-A184 PolarHBondContact O-N 2.54Å
181R98.3Very high97.9Very high22 Ų2263.2 Ų63.28%0.08333%0.328CS..Hα-helixtrans-65-43.1177.5-167.4176.6-174.5-163.5-3.5111.9L165 A177 L178 K179 E183 A184 V185 E202 E203 T206L165-R181 HydrophobicContact CD1-CB 4.4Å; L165-R181 HydrophobicContact CD1-CG 3.96Å; A177-R181 VanDerWaalsContact O-CB 3.31Å; A177-R181 WeakPolarHBondContact O-CB 3.3Å; A177-R181 PolarHBondContact O-N 3.29Å; L178-R181 PolarHBondContact O-N 3.38Å; K179-R181 VanDerWaalsContact C-N 3.31Å; K179-R181 PolarHBondContact O-N 2.82Å; R181-E183 VanDerWaalsContact C-N 3.35Å; R181-E183 PolarHBondContact O-N 2.95Å; R181-A184 PolarHBondContact O-N 3.49Å; R181-V185 HydrophobicContact CG-CG2 4.36Å; R181-V185 WeakPolarHBondContact O-CB 3.47Å; R181-V185 VanDerWaalsContact O-CG2 3.3Å; R181-V185 WeakPolarHBondContact O-CG2 3.44Å; R181-V185 PolarHBondContact O-N 3.3Å; R181-E202 PolarHBondContact NH1-O 3.21Å; R181-E202 IonicContact NH2-OE2 3.84Å; R181-E203 IonicContact CZ-OE1 2.97Å; R181-E203 IonicContact NH1-OE1 2.97Å; R181-E203 PolarHBondContact NH1-OE1 3.45Å; R181-E203 IonicContact NH1-OE2 2.9Å; R181-E203 IonicContact NH2-OE1 3.71Å; R181-E203 PolarHBondContact NH2-OE1 2.74Å; R181-T206 HydrophobicContact CB-CG2 4.23Å; R181-T206 VanDerWaalsContact CD-OG1 3.28Å; R181-T206 WeakPolarHBondContact CD-OG1 3.3Å; R181-T206 PolarHBondContact NH1-OG1 3.24Å
182L98.6Very high97.7Very high7 Ų769.6 Ų69.64%0.03736%0.362CS..Hα-helixtrans-58.8-46.9176.4177.760.6000111.4V162 L165 E166 L169 L178 K179 A184 V185 K186V162-L182 HydrophobicContact CG1-CD1 4.22Å; L165-L182 HydrophobicContact CB-CB 4.17Å; L165-L182 HydrophobicContact CB-CD1 3.78Å; L165-L182 HydrophobicContact CB-CG 4.47Å; L165-L182 HydrophobicContact CD1-CB 4.37Å; L165-L182 HydrophobicContact CD1-CD1 4.49Å; E166-L182 HydrophobicContact CG-CD1 3.98Å; E166-L182 HydrophobicContact CG-CD2 4.07Å; L169-L182 HydrophobicContact CD1-CD2 3.43Å; L169-L182 VanDerWaalsContact CD1-CD2 3.43Å; L169-L182 HydrophobicContact CG-CD2 4.43Å; L178-L182 WeakPolarHBondContact O-CB 3.42Å; L178-L182 PolarHBondContact O-N 3.46Å; K179-L182 PolarHBondContact O-N 2.91Å; L182-A184 PolarHBondContact O-N 2.72Å; L182-V185 PolarHBondContact O-N 3.26Å; L182-K186 HydrophobicContact CD1-CD 4.16Å; L182-K186 HydrophobicContact CD1-CG 4.2Å; L182-K186 HydrophobicContact CG-CD 4.2Å; L182-K186 WeakPolarHBondContact O-CB 3.41Å; L182-K186 WeakPolarHBondContact O-CG 3.31Å; L182-K186 PolarHBondContact O-N 3.09Å
183E98.2Very high97.6Very high99 Ų9974.7 Ų74.746%0.46339%0.385SS..Hα-helixtrans-62.7-41.9178.1-72.3-55.4125.100112.4K179 H180 R181 R187K179-E183 PolarHBondContact O-N 3.5Å; K179-E183 VanDerWaalsContact O-N 3.08Å; H180-E183 PolarHBondContact O-N 3.24Å; R181-E183 VanDerWaalsContact C-N 3.35Å; R181-E183 PolarHBondContact O-N 2.95Å; E183-R187 WeakPolarHBondContact O-CG 3.28Å; E183-R187 PolarHBondContact O-N 3.5Å; E183-R187 PolarHBondContact O-NH1 3.22Å
184A97.8Very high97.5Very high37 Ų3773.7 Ų73.731%0.30638%0.384SS..Hα-helixtrans-63.1-46.8175.900000112.1H180 R181 L182 R187 L188H180-A184 WeakPolarHBondContact O-CB 3.4Å; H180-A184 PolarHBondContact O-N 2.54Å; R181-A184 PolarHBondContact O-N 3.49Å; L182-A184 PolarHBondContact O-N 2.72Å; A184-R187 PolarHBondContact O-N 2.99Å; A184-L188 PolarHBondContact O-N 3.19Å; A184-L188 VanDerWaalsContact O-N 3.09Å
185V98Very high97.4Very high10 Ų1066.2 Ų66.26%0.06135%0.353CS..Hα-helixtrans-66-39.6179.2174.50000111.1T161 V162 L165 R181 L182 R187 L188 R189T161-V185 HydrophobicContact CG2-CB 4.39Å; T161-V185 HydrophobicContact CG2-CG1 3.75Å; T161-V185 HydrophobicContact CG2-CG2 3.89Å; V162-V185 HydrophobicContact CG2-CG1 3.7Å; L165-V185 HydrophobicContact CD1-CB 4.34Å; L165-V185 HydrophobicContact CD1-CG2 4.05Å; R181-V185 HydrophobicContact CG-CG2 4.36Å; R181-V185 WeakPolarHBondContact O-CB 3.47Å; R181-V185 VanDerWaalsContact O-CG2 3.3Å; R181-V185 WeakPolarHBondContact O-CG2 3.44Å; R181-V185 PolarHBondContact O-N 3.3Å; L182-V185 PolarHBondContact O-N 3.26Å; V185-R187 VanDerWaalsContact C-N 3.31Å; V185-R187 PolarHBondContact O-N 2.99Å; V185-L188 PolarHBondContact O-N 3.35Å; V185-R189 HydrophobicContact CG1-CG 4.11Å; V185-R189 WeakPolarHBondContact O-CG 3.3Å; V185-R189 PolarHBondContact O-N 2.97Å
186K98.1Very high97.3Very high77 Ų7767.6 Ų67.634%0.33536%0.362SS..Hα-helixtrans-58-42174.5-82-178.9168.5172.90111.8V162 E166 L182 R189 A190V162-K186 HydrophobicContact CG1-CG 4.18Å; V162-K186 HydrophobicContact CG2-CG 4.41Å; E166-K186 WeakPolarHBondContact OE1-CE 3.47Å; E166-K186 IonicContact OE1-NZ 3.71Å; E166-K186 PolarHBondContact OE1-NZ 2.91Å; L182-K186 HydrophobicContact CD1-CD 4.16Å; L182-K186 HydrophobicContact CD1-CG 4.2Å; L182-K186 HydrophobicContact CG-CD 4.2Å; L182-K186 WeakPolarHBondContact O-CB 3.41Å; L182-K186 WeakPolarHBondContact O-CG 3.31Å; L182-K186 PolarHBondContact O-N 3.09Å; K186-R189 PolarHBondContact O-N 3.44Å; K186-A190 VanDerWaalsContact O-CB 3.25Å; K186-A190 WeakPolarHBondContact O-CB 3.31Å; K186-A190 PolarHBondContact O-N 3.07Å
187R97.5Very high97.3Very high149 Ų14965.5 Ų65.556%0.56236%0.357SS*.Hα-helixtrans-64.6-42.1175-71.7-171.8-65.3-88.43.6113.1E183 A184 V185 S191E183-R187 WeakPolarHBondContact O-CG 3.28Å; E183-R187 PolarHBondContact O-N 3.5Å; E183-R187 PolarHBondContact O-NH1 3.22Å; A184-R187 PolarHBondContact O-N 2.99Å; V185-R187 VanDerWaalsContact C-N 3.31Å; V185-R187 PolarHBondContact O-N 2.99Å; R187-S191 PolarHBondContact O-N 3.11Å; R187-S191 PolarHBondContact O-OG 3.37Å
188L96.3Very high97.2Very high63 Ų6363.6 Ų63.633%0.3334%0.341SS..Hα-helixtrans-61-49.4175.9-71172.3000111.2A184 V185 S191 N192 Q193A184-L188 PolarHBondContact O-N 3.19Å; A184-L188 VanDerWaalsContact O-N 3.09Å; V185-L188 PolarHBondContact O-N 3.35Å; L188-S191 CarbonylContact O-C 3.5Å; L188-S191 WeakPolarHBondContact O-CA 3.36Å; L188-S191 PolarHBondContact O-N 2.91Å; L188-S191 VanDerWaalsContact O-N 3.07Å; L188-N192 PolarHBondContact O-N 3.34Å; L188-Q193 HydrophobicContact CB-CB 4.47Å; L188-Q193 HydrophobicContact CD2-CB 4.4Å; L188-Q193 PolarHBondContact O-N 3.3Å
189R96.9Very high97.2Very high81 Ų8164.7 Ų64.731%0.30635%0.348SS..Hα-helixtrans-67.2-37.1-179.5-65-52.5-58.6134.3-0.2112.6E159 V162 V185 K186 S191 N192 Q193E159-R189 IonicContact OE2-CZ 3.22Å; E159-R189 IonicContact OE2-NE 2.71Å; V162-R189 HydrophobicContact CG2-CB 4.47Å; V162-R189 HydrophobicContact CG2-CG 3.92Å; V185-R189 HydrophobicContact CG1-CG 4.11Å; V185-R189 WeakPolarHBondContact O-CG 3.3Å; V185-R189 PolarHBondContact O-N 2.97Å; K186-R189 PolarHBondContact O-N 3.44Å; R189-S191 PolarHBondContact O-N 3.25Å; R189-N192 PolarHBondContact O-N 2.9Å; R189-Q193 WeakPolarHBondContact CD-O 3.49Å; R189-Q193 VanDerWaalsContact NH1-C 3.29Å; R189-Q193 PolarHBondContact NH1-O 3.1Å
190A96.6Very high97.1Very high91 Ų9161.4 Ų61.475%0.75233%0.334SS*.Hα-helixtrans-60.7-26.7172.200000112.6K186 N192K186-A190 VanDerWaalsContact O-CB 3.25Å; K186-A190 WeakPolarHBondContact O-CB 3.31Å; K186-A190 PolarHBondContact O-N 3.07Å; A190-N192 VanDerWaalsContact C-N 3.34Å
191S96.1Very high97.1Very high77 Ų7756.3 Ų56.354%0.53832%0.316SS..THydrogen-bonded Turntrans-93.714.3175-49.40000113.3R187 L188 R189 Q193R187-S191 PolarHBondContact O-N 3.11Å; R187-S191 PolarHBondContact O-OG 3.37Å; L188-S191 CarbonylContact O-C 3.5Å; L188-S191 WeakPolarHBondContact O-CA 3.36Å; L188-S191 PolarHBondContact O-N 2.91Å; L188-S191 VanDerWaalsContact O-N 3.07Å; R189-S191 PolarHBondContact O-N 3.25Å; S191-Q193 PolarHBondContact O-N 3.32Å
192N94.3Very high97.1Very high138 Ų13859.1 Ų59.174%0.73833%0.33SS*.THydrogen-bonded Turntrans55.925.5-176.7-158.737.4000115.2L188 R189 A190L188-N192 PolarHBondContact O-N 3.34Å; R189-N192 PolarHBondContact O-N 2.9Å; A190-N192 VanDerWaalsContact C-N 3.34Å
193Q95.9Very high97.1Very high109 Ų10958.8 Ų58.851%0.50933%0.328SS..  trans-93.5142.1176.4-64.2-178.74700111L188 R189 S191L188-Q193 HydrophobicContact CB-CB 4.47Å; L188-Q193 HydrophobicContact CD2-CB 4.4Å; L188-Q193 PolarHBondContact O-N 3.3Å; R189-Q193 WeakPolarHBondContact CD-O 3.49Å; R189-Q193 VanDerWaalsContact NH1-C 3.29Å; R189-Q193 PolarHBondContact NH1-O 3.1Å; S191-Q193 PolarHBondContact O-N 3.32Å
194A95.8Very high97.1Very high59 Ų5956.6 Ų56.649%0.48832%0.32SS..  trans-62.4147.617600000111.3E159 V196E159-A194 WeakPolarHBondContact OE2-CA 3.08Å; A194-V196 HydrophobicContact CB-CG2 4.11Å
195S97.2Very high97.1Very high12 Ų1256.6 Ų56.68%0.08432%0.319CS..  trans-83.9-15.9175.167.20000113.6L123 E159 T161L123-S195 VanDerWaalsContact CD1-O 3.25Å; L123-S195 WeakPolarHBondContact CD1-O 3.48Å; E159-S195 VanDerWaalsContact CD-OG 3.25Å; E159-S195 VanDerWaalsContact OE1-CB 3.31Å; E159-S195 WeakPolarHBondContact OE1-CB 3.25Å; E159-S195 PolarHBondContact OE1-OG 3.06Å; E159-S195 PolarHBondContact OE2-N 3.16Å; E159-S195 PolarHBondContact OE2-OG 3.3Å; T161-S195 WeakPolarHBondContact CB-OG 3.47Å; T161-S195 PolarHBondContact OG1-OG 2.91Å
196V96.4Very high97.2Very high51 Ų5156.3 Ų56.331%0.30932%0.318SS..  trans-82.8151.4174.7-68.50000112L123 A194L123-V196 HydrophobicContact CD1-CG1 3.93Å; L123-V196 HydrophobicContact CG-CG1 4.34Å; A194-V196 HydrophobicContact CB-CG2 4.11Å
197P96.6Very high97.2Very high54 Ų5452.6 Ų52.635%0.35130%0.302SS..  cis-76152.3-7.432-34.7000112.5K153 V154 Y155K153-P197 HydrophobicContact CB-CB 4.03Å; V154-P197 VanDerWaalsContact O-CA 3.31Å; V154-P197 WeakPolarHBondContact O-CA 3.39Å; Y155-P197 HydrophobicContact CD1-CB 4.13Å; Y155-P197 HydrophobicContact CD2-CB 4.2Å; Y155-P197 HydrophobicContact CE1-CB 3.74Å; Y155-P197 HydrophobicContact CE1-CG 4.03Å; Y155-P197 HydrophobicContact CE2-CB 3.83Å; Y155-P197 HydrophobicContact CE2-CG 4.36Å; Y155-P197 HydrophobicContact CG-CB 4.35Å
198G97Very high97.2Very high2 Ų245.6 Ų45.62%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-94.5-162.5156.300000111K153 V154 E202K153-G198 CarbonylContact C-O 3.5Å; K153-G198 WeakPolarHBondContact CA-O 3.47Å; V154-G198 PolarHBondContact N-O 3.2Å; V154-G198 PolarHBondContact O-N 2.81Å; V154-G198 VanDerWaalsContact O-N 3.1Å; G198-E202 VanDerWaalsContact C-OE2 3.31Å; G198-E202 VanDerWaalsContact CA-OE2 3.29Å; G198-E202 WeakPolarHBondContact CA-OE2 3.48Å
199T97.7Very high97.3Very high23 Ų2342.6 Ų42.614%0.14126%0.26CS..EExtended strand (participates in β ladder)trans-135.4155.4174.4620000112T152 K153 G201 E202 E203T152-T199 VanDerWaalsContact O-CA 3.27Å; T152-T199 WeakPolarHBondContact O-CA 3.5Å; K153-T199 HydrophobicContact CD-CG2 3.89Å; T199-G201 PolarHBondContact O-N 2.97Å; T199-E202 PolarHBondContact N-OE2 3.1Å; T199-E202 PolarHBondContact O-N 3.48Å; T199-E202 WeakPolarHBondContact OG1-CB 3.44Å; T199-E202 WeakPolarHBondContact OG1-CG 3.44Å; T199-E202 PolarHBondContact OG1-N 3.41Å; T199-E202 VanDerWaalsContact OG1-N 3.16Å; T199-E202 PolarHBondContact OG1-OE2 2.97Å; T199-E203 WeakPolarHBondContact O-CG 3.39Å; T199-E203 PolarHBondContact O-N 2.85Å; T199-E203 VanDerWaalsContact O-N 3.08Å
200I97.4Very high97.4Very high0 Ų039.3 Ų39.30%025%0.248CC..Hα-helixtrans-56.8-38173.9-67.1-66.7000111.3V115 L121 L145 L148 T152 V154 E203 L204V115-I200 HydrophobicContact CG1-CD1 4.37Å; L121-I200 HydrophobicContact CD2-CD1 4.25Å; L145-I200 HydrophobicContact CB-CD1 4.42Å; L148-I200 HydrophobicContact CB-CG1 4.08Å; L148-I200 HydrophobicContact CD1-CD1 4.23Å; L148-I200 HydrophobicContact CD1-CG1 4.35Å; T152-I200 HydrophobicContact CG2-CG1 4.4Å; T152-I200 PolarHBondContact O-N 3.4Å; V154-I200 HydrophobicContact CG2-CD1 3.67Å; V154-I200 HydrophobicContact CG2-CG1 3.97Å; I200-E203 PolarHBondContact O-N 3.29Å; I200-L204 HydrophobicContact CG2-CD1 3.92Å; I200-L204 HydrophobicContact CG2-CG 4.34Å; I200-L204 VanDerWaalsContact O-CG 3.29Å; I200-L204 WeakPolarHBondContact O-CG 3.48Å; I200-L204 PolarHBondContact O-N 3.25Å
201G97.9Very high97.5Very high22 Ų2236.7 Ų36.723%0.22722%0.219CC..Hα-helixtrans-62.8-42.8176.900000113.2T150 T199 L204 A205T150-G201 WeakPolarHBondContact O-CA 3.35Å; T150-G201 PolarHBondContact O-N 2.97Å; T199-G201 PolarHBondContact O-N 2.97Å; G201-L204 PolarHBondContact O-N 2.96Å; G201-A205 WeakPolarHBondContact O-CB 3.25Å; G201-A205 PolarHBondContact O-N 2.99Å; G201-A205 VanDerWaalsContact O-N 3.12Å
202E98.4Very high97.6Very high80 Ų8033 Ų3337%0.37419%0.193SC..Hα-helixtrans-63.8-41.1174.2-72.4167.6134.500111.8R181 G198 T199 A205 T206R181-E202 PolarHBondContact NH1-O 3.21Å; R181-E202 IonicContact NH2-OE2 3.84Å; G198-E202 VanDerWaalsContact C-OE2 3.31Å; G198-E202 VanDerWaalsContact CA-OE2 3.29Å; G198-E202 WeakPolarHBondContact CA-OE2 3.48Å; T199-E202 PolarHBondContact N-OE2 3.1Å; T199-E202 PolarHBondContact O-N 3.48Å; T199-E202 WeakPolarHBondContact OG1-CB 3.44Å; T199-E202 WeakPolarHBondContact OG1-CG 3.44Å; T199-E202 PolarHBondContact OG1-N 3.41Å; T199-E202 VanDerWaalsContact OG1-N 3.16Å; T199-E202 PolarHBondContact OG1-OE2 2.97Å; E202-A205 PolarHBondContact O-N 3.37Å; E202-T206 PolarHBondContact O-N 2.89Å; E202-T206 PolarHBondContact O-OG1 3.15Å; E202-T206 VanDerWaalsContact O-OG1 3.11Å
203E98.6Very high97.7Very high0 Ų029.5 Ų29.50%018%0.179CC..Hα-helixtrans-65.1-40.9177.5-61.4-54.8124.100112.2L121 L123 G124 R181 T199 I200 A205 T206 N207 M210L121-E203 HydrophobicContact CD1-CG 4.28Å; L121-E203 HydrophobicContact CD2-CG 4.31Å; L123-E203 WeakPolarHBondContact CA-OE1 3.28Å; G124-E203 PolarHBondContact N-OE1 2.92Å; G124-E203 PolarHBondContact N-OE2 2.74Å; R181-E203 IonicContact CZ-OE1 2.97Å; R181-E203 IonicContact NH1-OE1 2.97Å; R181-E203 PolarHBondContact NH1-OE1 3.45Å; R181-E203 IonicContact NH1-OE2 2.9Å; R181-E203 IonicContact NH2-OE1 3.71Å; R181-E203 PolarHBondContact NH2-OE1 2.74Å; T199-E203 WeakPolarHBondContact O-CG 3.39Å; T199-E203 PolarHBondContact O-N 2.85Å; T199-E203 VanDerWaalsContact O-N 3.08Å; I200-E203 PolarHBondContact O-N 3.29Å; E203-A205 PolarHBondContact O-N 3.38Å; E203-T206 PolarHBondContact O-N 3.18Å; E203-N207 HydrophobicContact CB-CB 4.2Å; E203-N207 WeakPolarHBondContact O-CB 3.37Å; E203-N207 PolarHBondContact O-N 3.12Å; E203-N207 VanDerWaalsContact OE2-CB 3.3Å; E203-N207 WeakPolarHBondContact OE2-CB 3.4Å; E203-N207 PolarHBondContact OE2-ND2 3.43Å; E203-M210 HydrophobicContact CB-CG 4.48Å; E203-M210 HydrophobicContact CB-SD 3.42Å; E203-M210 WeakPolarHBondContact CB-SD 3.26Å; E203-M210 HydrophobicContact CG-SD 4.29Å
204L98.5Very high97.8Very high54 Ų5428.2 Ų28.228%0.28317%0.173SC..Hα-helixtrans-62.7-29.6174.3-68.5170.2000112.7T150 I200 G201 M210 R211T150-L204 HydrophobicContact CG2-CD1 4.42Å; I200-L204 HydrophobicContact CG2-CD1 3.92Å; I200-L204 HydrophobicContact CG2-CG 4.34Å; I200-L204 VanDerWaalsContact O-CG 3.29Å; I200-L204 WeakPolarHBondContact O-CG 3.48Å; I200-L204 PolarHBondContact O-N 3.25Å; G201-L204 PolarHBondContact O-N 2.96Å; L204-M210 HydrophobicContact CD2-CE 3.93Å; L204-M210 HydrophobicContact CG-CE 4.47Å; L204-R211 WeakPolarHBondContact O-CD 3.1Å; L204-R211 VanDerWaalsContact O-CG 3.3Å; L204-R211 WeakPolarHBondContact O-CG 3.14Å; L204-R211 PolarHBondContact O-NH1 2.87Å
205A98.4Very high97.9Very high36 Ų3629.7 Ų29.730%0.29818%0.178SC..Hα-helixtrans-82.7-29.1177.900000113.7N175 A177 G201 E202 E203N175-A205 PolarHBondContact ND2-O 2.92Å; A177-A205 HydrophobicContact CB-CB 4.34Å; G201-A205 WeakPolarHBondContact O-CB 3.25Å; G201-A205 PolarHBondContact O-N 2.99Å; G201-A205 VanDerWaalsContact O-N 3.12Å; E202-A205 PolarHBondContact O-N 3.37Å; E203-A205 PolarHBondContact O-N 3.38Å
206T98.6Very high97.9Very high4 Ų433.5 Ų33.53%0.02520%0.197CC..Hα-helixtrans-135.1-6.4-166.179.40000116.5A177 L178 R181 E202 E203A177-T206 HydrophobicContact CB-CG2 4.01Å; L178-T206 HydrophobicContact CB-CG2 4.3Å; L178-T206 WeakPolarHBondContact CD1-O 3.3Å; R181-T206 HydrophobicContact CB-CG2 4.23Å; R181-T206 VanDerWaalsContact CD-OG1 3.28Å; R181-T206 WeakPolarHBondContact CD-OG1 3.3Å; R181-T206 PolarHBondContact NH1-OG1 3.24Å; E202-T206 PolarHBondContact O-N 2.89Å; E202-T206 PolarHBondContact O-OG1 3.15Å; E202-T206 VanDerWaalsContact O-OG1 3.11Å; E203-T206 PolarHBondContact O-N 3.18Å
207N98.7Very high98Very high0 Ų031 Ų310%018%0.182CC..  trans-95.4112.3-178.7-174.7-27.2000109.8L121 F122 G124 G125 E203 L209 M210 R211L121-N207 WeakPolarHBondContact CD1-ND2 3.31Å; F122-N207 PolarHBondContact O-ND2 3.33Å; G124-N207 VanDerWaalsContact C-CG 3.49Å; G125-N207 PolarHBondContact N-ND2 3.05Å; G125-N207 PolarHBondContact O-ND2 3.25Å; E203-N207 HydrophobicContact CB-CB 4.2Å; E203-N207 WeakPolarHBondContact O-CB 3.37Å; E203-N207 PolarHBondContact O-N 3.12Å; E203-N207 VanDerWaalsContact OE2-CB 3.3Å; E203-N207 WeakPolarHBondContact OE2-CB 3.4Å; E203-N207 PolarHBondContact OE2-ND2 3.43Å; N207-L209 PolarHBondContact O-N 3.1Å; N207-L209 PolarHBondContact OD1-N 3.15Å; N207-M210 HydrophobicContact CB-CB 4.11Å; N207-M210 HydrophobicContact CB-CG 4.13Å; N207-M210 PolarHBondContact O-N 3.46Å; N207-R211 WeakPolarHBondContact O-CB 3.46Å; N207-R211 VanDerWaalsContact O-CG 3.23Å; N207-R211 WeakPolarHBondContact O-CG 3.35Å; N207-R211 PolarHBondContact O-N 2.92Å; N207-R211 VanDerWaalsContact O-N 3.13Å
208P98.3Very high98.1Very high2 Ų229.9 Ų29.91%0.01317%0.173CC..THydrogen-bonded Turntrans-58.7-27.9-175.525.5-36.4000112.5F167 V171 R211 V212 I233F167-P208 HydrophobicContact CD1-CG 4.41Å; F167-P208 HydrophobicContact CE1-CG 4.37Å; V171-P208 HydrophobicContact CB-CB 4.18Å; V171-P208 HydrophobicContact CG1-CB 4.06Å; V171-P208 HydrophobicContact CG2-CB 4.31Å; P208-R211 CarbonylContact O-C 3.44Å; P208-R211 PolarHBondContact O-N 3.28Å; P208-V212 PolarHBondContact O-N 3.37Å; P208-I233 HydrophobicContact CB-CG2 4.34Å
209L97.9Very high98.2Very high0 Ų033.3 Ų33.30%020%0.201CC..THydrogen-bonded Turntrans-82.5-17.8178.3-63.3-174.9000113.9C126 L141 N207 R211 V212 M230 I233C126-L209 HydrophobicContact CB-CD1 3.91Å; C126-L209 WeakPolarHBondContact SG-CD1 3.33Å; L141-L209 HydrophobicContact CD1-CB 4.08Å; N207-L209 PolarHBondContact O-N 3.1Å; N207-L209 PolarHBondContact OD1-N 3.15Å; L209-R211 VanDerWaalsContact C-N 3.31Å; L209-V212 HydrophobicContact CD2-CG1 4.32Å; L209-M230 HydrophobicContact CB-CE 4.48Å; L209-M230 HydrophobicContact CB-SD 4.02Å; L209-M230 HydrophobicContact CD1-SD 4.41Å; L209-M230 HydrophobicContact CD2-SD 3.79Å; L209-M230 HydrophobicContact CG-SD 4.3Å; L209-M230 WeakPolarHBondContact O-CE 3.24Å; L209-I233 HydrophobicContact CD2-CB 3.56Å; L209-I233 HydrophobicContact CD2-CG2 3.34Å; L209-I233 HydrophobicContact CG-CG2 4.14Å
210M98.1Very high98.2Very high11 Ų1135 Ų355%0.05421%0.207CC..THydrogen-bonded Turntrans-88.2-4.5165.5-63-158.467.200112.7L121 L141 I142 E203 L204 N207L121-M210 HydrophobicContact CD1-CG 4.22Å; L121-M210 HydrophobicContact CD1-SD 3.68Å; L121-M210 HydrophobicContact CD2-SD 4.02Å; L141-M210 HydrophobicContact CB-CG 4.3Å; L141-M210 HydrophobicContact CD1-CG 4.42Å; L141-M210 WeakPolarHBondContact O-CE 3.45Å; I142-M210 WeakPolarHBondContact CD1-O 3.44Å; E203-M210 HydrophobicContact CB-CG 4.48Å; E203-M210 HydrophobicContact CB-SD 3.42Å; E203-M210 WeakPolarHBondContact CB-SD 3.26Å; E203-M210 HydrophobicContact CG-SD 4.29Å; L204-M210 HydrophobicContact CD2-CE 3.93Å; L204-M210 HydrophobicContact CG-CE 4.47Å; N207-M210 HydrophobicContact CB-CB 4.11Å; N207-M210 HydrophobicContact CB-CG 4.13Å; N207-M210 PolarHBondContact O-N 3.46Å
211R98.6Very high98.3Very high37 Ų3735.3 Ų35.314%0.1421%0.21CC..  trans-116.217.7-174.9-66.1172.861.365.86.9112.8E172 L204 N207 P208 L209 S213 E214 V217E172-R211 VanDerWaalsContact CD-NE 3.34Å; E172-R211 IonicContact OE1-CZ 2.94Å; E172-R211 VanDerWaalsContact OE1-CZ 3.29Å; E172-R211 IonicContact OE1-NE 3Å; E172-R211 PolarHBondContact OE1-NE 3.37Å; E172-R211 IonicContact OE1-NH2 3.64Å; E172-R211 PolarHBondContact OE1-NH2 3.49Å; E172-R211 WeakPolarHBondContact OE2-CD 3.39Å; E172-R211 IonicContact OE2-CZ 2.66Å; E172-R211 IonicContact OE2-NE 3.82Å; E172-R211 PolarHBondContact OE2-NE 3.4Å; L204-R211 WeakPolarHBondContact O-CD 3.1Å; L204-R211 VanDerWaalsContact O-CG 3.3Å; L204-R211 WeakPolarHBondContact O-CG 3.14Å; L204-R211 PolarHBondContact O-NH1 2.87Å; N207-R211 WeakPolarHBondContact O-CB 3.46Å; N207-R211 VanDerWaalsContact O-CG 3.23Å; N207-R211 WeakPolarHBondContact O-CG 3.35Å; N207-R211 PolarHBondContact O-N 2.92Å; N207-R211 VanDerWaalsContact O-N 3.13Å; P208-R211 CarbonylContact O-C 3.44Å; P208-R211 PolarHBondContact O-N 3.28Å; L209-R211 VanDerWaalsContact C-N 3.31Å; R211-S213 PolarHBondContact O-N 3.38Å; R211-E214 HydrophobicContact CB-CB 4.4Å; R211-E214 HydrophobicContact CB-CG 3.84Å; R211-E214 HydrophobicContact CG-CG 4.31Å; R211-E214 VanDerWaalsContact O-CB 3.26Å; R211-E214 WeakPolarHBondContact O-CB 3.41Å; R211-E214 WeakPolarHBondContact O-CG 3.37Å; R211-E214 PolarHBondContact O-N 2.9Å; R211-V217 HydrophobicContact CB-CG2 3.98Å; R211-V217 WeakPolarHBondContact O-CB 3.27Å; R211-V217 WeakPolarHBondContact O-CG2 3.45Å
212V98.3Very high98.3Very high0 Ų043.2 Ų43.20%024%0.238CC..THydrogen-bonded Turntrans-63.3-5.2-177.5-65.70000115.3F138 I142 P208 L209 L218 P226 A229 M230F138-V212 HydrophobicContact CD2-CG2 3.8Å; F138-V212 HydrophobicContact CE2-CG2 3.78Å; I142-V212 HydrophobicContact CD1-CG2 4.21Å; I142-V212 HydrophobicContact CG1-CG2 4.19Å; P208-V212 PolarHBondContact O-N 3.37Å; L209-V212 HydrophobicContact CD2-CG1 4.32Å; V212-L218 VanDerWaalsContact O-CD2 3.3Å; V212-L218 WeakPolarHBondContact O-CD2 3.44Å; V212-P226 HydrophobicContact CB-CB 4.49Å; V212-P226 HydrophobicContact CG2-CB 4.17Å; V212-P226 WeakPolarHBondContact O-CA 3.35Å; V212-P226 WeakPolarHBondContact O-CB 3.48Å; V212-A229 HydrophobicContact CB-CB 4.23Å; V212-M230 HydrophobicContact CG1-CB 4.13Å; V212-M230 HydrophobicContact CG1-CE 4.05Å; V212-M230 HydrophobicContact CG1-SD 4.44Å; V212-M230 HydrophobicContact CG2-CE 4.02Å
213S97.6Very high98.3Very high63 Ų6340.3 Ų40.344%0.44123%0.226SC..THydrogen-bonded Turntrans-102.5-4.5172-56.10000113.3R211R211-S213 PolarHBondContact O-N 3.38Å
214E98.2Very high98.3Very high82 Ų8246.7 Ų46.738%0.38327%0.265SS..SBendtrans-75.2140.8179-66-67157.300110.6R211 D216 V217 L218R211-E214 HydrophobicContact CB-CB 4.4Å; R211-E214 HydrophobicContact CB-CG 3.84Å; R211-E214 HydrophobicContact CG-CG 4.31Å; R211-E214 VanDerWaalsContact O-CB 3.26Å; R211-E214 WeakPolarHBondContact O-CB 3.41Å; R211-E214 WeakPolarHBondContact O-CG 3.37Å; R211-E214 PolarHBondContact O-N 2.9Å; E214-D216 VanDerWaalsContact C-N 3.27Å; E214-D216 PolarHBondContact O-N 3.21Å; E214-V217 HydrophobicContact CB-CG2 4.28Å; E214-V217 PolarHBondContact O-N 2.95Å; E214-V217 VanDerWaalsContact O-N 3.15Å; E214-L218 WeakPolarHBondContact O-CG 3.37Å; E214-L218 PolarHBondContact O-N 3.01Å
215P98Very high98.3Very high91 Ų9147.5 Ų47.559%0.59127%0.269SS*.Hα-helixtrans-53.8-40.5-177.6-28.535.4000114.1L218 A219P215-L218 PolarHBondContact O-N 3.44Å; P215-A219 VanDerWaalsContact O-CB 3.24Å; P215-A219 WeakPolarHBondContact O-CB 3.48Å; P215-A219 PolarHBondContact O-N 3.08Å
216D97.5Very high98.3Very high91 Ų9147.3 Ų47.349%0.48727%0.265SS..Hα-helixtrans-67.3-40.5-178.7-72.3-11.8000111.9E172 E214 A219 H220E172-D216 HydrophobicContact CG-CB 4.49Å; E214-D216 VanDerWaalsContact C-N 3.27Å; E214-D216 PolarHBondContact O-N 3.21Å; D216-A219 PolarHBondContact O-N 3.41Å; D216-H220 WeakPolarHBondContact O-CB 3.41Å; D216-H220 PolarHBondContact O-N 3.17Å
217V98.6Very high98.2Very high0 Ų049.6 Ų49.60%028%0.276CS..Hα-helixtrans-69.6-41.7177.4-179.10000111V171 E172 R211 E214 H220 A221 I233V171-V217 HydrophobicContact CG1-CB 4.48Å; V171-V217 HydrophobicContact CG1-CG1 4.14Å; V171-V217 HydrophobicContact CG1-CG2 4.23Å; E172-V217 HydrophobicContact CG-CG2 3.64Å; R211-V217 HydrophobicContact CB-CG2 3.98Å; R211-V217 WeakPolarHBondContact O-CB 3.27Å; R211-V217 WeakPolarHBondContact O-CG2 3.45Å; E214-V217 HydrophobicContact CB-CG2 4.28Å; E214-V217 PolarHBondContact O-N 2.95Å; E214-V217 VanDerWaalsContact O-N 3.15Å; V217-H220 PolarHBondContact O-N 2.89Å; V217-A221 WeakPolarHBondContact O-CB 3.4Å; V217-A221 PolarHBondContact O-N 3.13Å; V217-I233 HydrophobicContact CG1-CD1 4.46Å; V217-I233 HydrophobicContact CG1-CG1 4.19Å
218L98.7Very high98.2Very high30 Ų3055 Ų5516%0.15730%0.3CS..Hα-helixtrans-62.2-42.7175-74.5173.8000111.7V212 E214 P215 A221 K222 T223 A229V212-L218 VanDerWaalsContact O-CD2 3.3Å; V212-L218 WeakPolarHBondContact O-CD2 3.44Å; E214-L218 WeakPolarHBondContact O-CG 3.37Å; E214-L218 PolarHBondContact O-N 3.01Å; P215-L218 PolarHBondContact O-N 3.44Å; L218-A221 CarbonylContact O-C 3.55Å; L218-A221 PolarHBondContact O-N 3.48Å; L218-K222 PolarHBondContact O-N 2.93Å; L218-T223 CarbonylContact C-O 3.59Å; L218-T223 WeakPolarHBondContact CB-O 3.49Å; L218-T223 HydrophobicContact CD2-CG2 4.35Å; L218-T223 WeakPolarHBondContact CD2-O 3.25Å; L218-T223 PolarHBondContact O-N 3.45Å; L218-T223 VanDerWaalsContact O-N 3.13Å; L218-T223 VanDerWaalsContact O-O 3.06Å; L218-A229 HydrophobicContact CD2-CB 4.02Å
219A98.4Very high98.2Very high73 Ų7355 Ų5560%0.60330%0.3SS*.Hα-helixtrans-63.1-4517600000111.8P215 D216 K222P215-A219 VanDerWaalsContact O-CB 3.24Å; P215-A219 WeakPolarHBondContact O-CB 3.48Å; P215-A219 PolarHBondContact O-N 3.08Å; D216-A219 PolarHBondContact O-N 3.41Å; A219-K222 PolarHBondContact O-N 3.43Å
220H98.4Very high98.2Very high59 Ų5955 Ų5527%0.27330%0.3SS..Hα-helixtrans-59-48174.5179.892.7000111.6T170 V171 D216 V217 K222 I233 E236T170-H220 PolarHBondContact O-CE1 3.29Å; T170-H220 PolarHBondContact O-ND1 3.24Å; V171-H220 HydrophobicContact CG1-CB 4.14Å; D216-H220 WeakPolarHBondContact O-CB 3.41Å; D216-H220 PolarHBondContact O-N 3.17Å; V217-H220 PolarHBondContact O-N 2.89Å; H220-K222 PolarHBondContact O-N 3.2Å; H220-I233 WeakPolarHBondContact CD2-CD1 3.48Å; H220-E236 IonicContact CD2-OE2 3.26Å; H220-E236 IonicContact CE1-OE2 3.82Å; H220-E236 IonicContact NE2-OE1 3.87Å; H220-E236 IonicContact NE2-OE2 2.74Å; H220-E236 PolarHBondContact NE2-OE2 3.14Å
221A98.4Very high98.2Very high7 Ų759.8 Ų59.86%0.05832%0.32CS..THydrogen-bonded Turntrans-74.4-1.217900000114.4V217 L218 T223 A229 T232 I233V217-A221 WeakPolarHBondContact O-CB 3.4Å; V217-A221 PolarHBondContact O-N 3.13Å; L218-A221 CarbonylContact O-C 3.55Å; L218-A221 PolarHBondContact O-N 3.48Å; A221-T223 VanDerWaalsContact C-N 3.28Å; A221-T223 HydrophobicContact CB-CG2 3.84Å; A221-T223 PolarHBondContact O-N 3.24Å; A221-A229 HydrophobicContact CB-CB 3.84Å; A221-T232 HydrophobicContact CB-CG2 4.19Å; A221-I233 HydrophobicContact CB-CD1 4.21Å; A221-I233 HydrophobicContact CB-CG1 4.43Å
222K98.4Very high98.2Very high187 Ų18759.5 Ų59.581%0.81332%0.323SS*.THydrogen-bonded Turntrans51.744.3179.2-58.2174.9-174.8173.60112.7L218 A219 H220L218-K222 PolarHBondContact O-N 2.93Å; A219-K222 PolarHBondContact O-N 3.43Å; H220-K222 PolarHBondContact O-N 3.2Å
223T98.5Very high98.2Very high20 Ų2059.5 Ų59.512%0.12332%0.323CS..  trans-149.5156.8-177.8-1760000110.7L218 A221 D225 K228 A229L218-T223 CarbonylContact C-O 3.59Å; L218-T223 WeakPolarHBondContact CB-O 3.49Å; L218-T223 HydrophobicContact CD2-CG2 4.35Å; L218-T223 WeakPolarHBondContact CD2-O 3.25Å; L218-T223 PolarHBondContact O-N 3.45Å; L218-T223 VanDerWaalsContact O-N 3.13Å; L218-T223 VanDerWaalsContact O-O 3.06Å; A221-T223 VanDerWaalsContact C-N 3.28Å; A221-T223 HydrophobicContact CB-CG2 3.84Å; A221-T223 PolarHBondContact O-N 3.24Å; T223-D225 WeakPolarHBondContact CG2-O 2.93Å; T223-D225 PolarHBondContact OG1-N 2.98Å; T223-D225 VanDerWaalsContact OG1-N 3.11Å; T223-K228 HydrophobicContact CG2-CB 4.31Å; T223-K228 HydrophobicContact CG2-CG 4.37Å; T223-A229 HydrophobicContact CG2-CB 3.72Å
224T98Very high98.2Very high133 Ų13357.2 Ų57.282%0.81630%0.304SS*.SBendtrans-102.9-4.1169.258.10000112.5P226T224-P226 WeakPolarHBondContact O-CD 3.38Å
225D98.5Very high98.2Very high72 Ų7257.2 Ų57.239%0.38531%0.305SS..  trans-95.3115.6178.41729.8000110.5T223 I227 K228 A229T223-D225 WeakPolarHBondContact CG2-O 2.93Å; T223-D225 PolarHBondContact OG1-N 2.98Å; T223-D225 VanDerWaalsContact OG1-N 3.11Å; D225-I227 VanDerWaalsContact C-N 3.29Å; D225-I227 PolarHBondContact O-N 2.9Å; D225-I227 WeakPolarHBondContact OD1-CB 3.42Å; D225-I227 PolarHBondContact OD1-N 3.34Å; D225-K228 HydrophobicContact CB-CB 3.96Å; D225-K228 PolarHBondContact O-N 2.71Å; D225-A229 PolarHBondContact O-N 2.99Å
226P98.4Very high98.2Very high32 Ų3255.5 Ų55.521%0.20829%0.289CS..Hα-helixtrans-60.2-30.9178.4-26.136.2000115F138 V212 T224 A229 M230F138-P226 HydrophobicContact CD2-CB 4.23Å; F138-P226 HydrophobicContact CE2-CB 3.53Å; F138-P226 HydrophobicContact CZ-CB 4.27Å; V212-P226 HydrophobicContact CB-CB 4.49Å; V212-P226 HydrophobicContact CG2-CB 4.17Å; V212-P226 WeakPolarHBondContact O-CA 3.35Å; V212-P226 WeakPolarHBondContact O-CB 3.48Å; T224-P226 WeakPolarHBondContact O-CD 3.38Å; P226-A229 PolarHBondContact O-N 3.2Å; P226-M230 PolarHBondContact O-N 3Å
227I97.7Very high98.2Very high51 Ų5152.5 Ų52.526%0.26227%0.271SS..Hα-helixtrans-70.7-44.5178-66.8173.2000109.3A134 E135 F138 D225 A229 M230 K231A134-I227 HydrophobicContact CB-CG2 4.4Å; E135-I227 HydrophobicContact CB-CG2 4.35Å; E135-I227 HydrophobicContact CG-CD1 4.3Å; E135-I227 HydrophobicContact CG-CG2 3.67Å; E135-I227 WeakPolarHBondContact OE1-CG2 3.36Å; F138-I227 HydrophobicContact CB-CG1 4.31Å; F138-I227 HydrophobicContact CD1-CG1 4.4Å; F138-I227 HydrophobicContact CD2-CG1 4.28Å; F138-I227 HydrophobicContact CG-CG1 4.07Å; D225-I227 VanDerWaalsContact C-N 3.29Å; D225-I227 PolarHBondContact O-N 2.9Å; D225-I227 WeakPolarHBondContact OD1-CB 3.42Å; D225-I227 PolarHBondContact OD1-N 3.34Å; I227-A229 VanDerWaalsContact C-N 3.29Å; I227-A229 PolarHBondContact O-N 3.18Å; I227-M230 WeakPolarHBondContact O-CB 3.38Å; I227-M230 PolarHBondContact O-N 3.39Å; I227-K231 PolarHBondContact O-N 2.94Å; I227-K231 VanDerWaalsContact O-N 3.1Å
228K98.3Very high98.1Very high115 Ų11555.5 Ų55.550%0.529%0.287SS..Hα-helixtrans-61.8-38.4172.3-173.9172174.6-1710111.6T223 D225 K231 T232T223-K228 HydrophobicContact CG2-CB 4.31Å; T223-K228 HydrophobicContact CG2-CG 4.37Å; D225-K228 HydrophobicContact CB-CB 3.96Å; D225-K228 PolarHBondContact O-N 2.71Å; K228-K231 PolarHBondContact O-N 3.33Å; K228-T232 PolarHBondContact O-N 2.88Å; K228-T232 PolarHBondContact O-OG1 3.47Å; K228-T232 VanDerWaalsContact O-OG1 3.1Å
229A98.6Very high98Very high0 Ų062.3 Ų62.30%031%0.311CS..Hα-helixtrans-62.2-46.7175.100000111.6V212 L218 A221 T223 D225 P226 I227 K231 T232 I233V212-A229 HydrophobicContact CB-CB 4.23Å; L218-A229 HydrophobicContact CD2-CB 4.02Å; A221-A229 HydrophobicContact CB-CB 3.84Å; T223-A229 HydrophobicContact CG2-CB 3.72Å; D225-A229 PolarHBondContact O-N 2.99Å; P226-A229 PolarHBondContact O-N 3.2Å; I227-A229 VanDerWaalsContact C-N 3.29Å; I227-A229 PolarHBondContact O-N 3.18Å; A229-K231 VanDerWaalsContact C-N 3.28Å; A229-K231 PolarHBondContact O-N 3.49Å; A229-T232 PolarHBondContact O-N 3.39Å; A229-I233 VanDerWaalsContact O-CG1 3.28Å; A229-I233 WeakPolarHBondContact O-CG1 3.39Å; A229-I233 PolarHBondContact O-N 2.93Å
230M98Very high97.9Very high0 Ų066 Ų660%031%0.314CS..Hα-helixtrans-51.6-47.5173.9178.271.36800111.7F129 A134 M137 F138 L141 L209 V212 P226 I227 R234F129-M230 HydrophobicContact CE2-CG 4.27Å; F129-M230 HydrophobicContact CZ-CG 3.95Å; F129-M230 HydrophobicContact CZ-SD 4.07Å; A134-M230 HydrophobicContact CB-CB 4.4Å; A134-M230 HydrophobicContact CB-CG 4.15Å; M137-M230 HydrophobicContact CB-CG 4.37Å; M137-M230 HydrophobicContact CB-SD 4.24Å; M137-M230 HydrophobicContact CG-CE 4.28Å; M137-M230 HydrophobicContact CG-SD 3.79Å; F138-M230 HydrophobicContact CB-CE 4.31Å; F138-M230 HydrophobicContact CD2-CE 4.45Å; L141-M230 HydrophobicContact CD1-CE 4.19Å; L209-M230 HydrophobicContact CB-CE 4.48Å; L209-M230 HydrophobicContact CB-SD 4.02Å; L209-M230 HydrophobicContact CD1-SD 4.41Å; L209-M230 HydrophobicContact CD2-SD 3.79Å; L209-M230 HydrophobicContact CG-SD 4.3Å; L209-M230 WeakPolarHBondContact O-CE 3.24Å; V212-M230 HydrophobicContact CG1-CB 4.13Å; V212-M230 HydrophobicContact CG1-CE 4.05Å; V212-M230 HydrophobicContact CG1-SD 4.44Å; V212-M230 HydrophobicContact CG2-CE 4.02Å; P226-M230 PolarHBondContact O-N 3Å; I227-M230 WeakPolarHBondContact O-CB 3.38Å; I227-M230 PolarHBondContact O-N 3.39Å; M230-R234 VanDerWaalsContact O-CB 3.25Å; M230-R234 WeakPolarHBondContact O-CB 3.41Å; M230-R234 PolarHBondContact O-N 2.97Å
231K97.8Very high97.8Very high113 Ų11366.4 Ų66.449%0.49132%0.316SS..Hα-helixtrans-61.2-52.8177.2-174.3175.2174.6176.40111.9A134 I227 K228 A229 I233 R234 E235A134-K231 HydrophobicContact CB-CB 3.7Å; A134-K231 HydrophobicContact CB-CG 4.44Å; I227-K231 PolarHBondContact O-N 2.94Å; I227-K231 VanDerWaalsContact O-N 3.1Å; K228-K231 PolarHBondContact O-N 3.33Å; A229-K231 VanDerWaalsContact C-N 3.28Å; A229-K231 PolarHBondContact O-N 3.49Å; K231-I233 PolarHBondContact O-N 3.36Å; K231-R234 PolarHBondContact O-N 3.16Å; K231-E235 WeakPolarHBondContact CE-OE1 3.47Å; K231-E235 WeakPolarHBondContact CG-OE1 3.48Å; K231-E235 WeakPolarHBondContact O-CG 2.98Å; K231-E235 PolarHBondContact O-N 3.02Å
232T98.3Very high97.8Very high31 Ų3169.5 Ų69.519%0.1933%0.329CS..Hα-helixtrans-58.3-50.3-178.2-60.50000111.7A221 K228 A229 R234 E235 E236A221-T232 HydrophobicContact CB-CG2 4.19Å; K228-T232 PolarHBondContact O-N 2.88Å; K228-T232 PolarHBondContact O-OG1 3.47Å; K228-T232 VanDerWaalsContact O-OG1 3.1Å; A229-T232 PolarHBondContact O-N 3.39Å; T232-R234 VanDerWaalsContact C-N 3.32Å; T232-R234 PolarHBondContact O-N 3.47Å; T232-E235 PolarHBondContact O-N 3.02Å; T232-E236 WeakPolarHBondContact O-CG 3.36Å; T232-E236 PolarHBondContact O-N 3.33Å
233I98.4Very high97.8Very high0 Ų062.9 Ų62.90%030%0.302CS..Hα-helixtrans-64.1-38.9-178.6-60.5-57.9000110.9F167 V171 P208 L209 V217 H220 A221 A229 K231 E236 K237F167-I233 HydrophobicContact CE1-CG2 3.59Å; F167-I233 HydrophobicContact CZ-CG2 3.85Å; F167-I233 WeakPolarHBondContact CZ-O 3.25Å; V171-I233 HydrophobicContact CG1-CD1 3.7Å; V171-I233 HydrophobicContact CG2-CD1 3.97Å; V171-I233 HydrophobicContact CG2-CG2 4.22Å; P208-I233 HydrophobicContact CB-CG2 4.34Å; L209-I233 HydrophobicContact CD2-CB 3.56Å; L209-I233 HydrophobicContact CD2-CG2 3.34Å; L209-I233 HydrophobicContact CG-CG2 4.14Å; V217-I233 HydrophobicContact CG1-CD1 4.46Å; V217-I233 HydrophobicContact CG1-CG1 4.19Å; H220-I233 WeakPolarHBondContact CD2-CD1 3.48Å; A221-I233 HydrophobicContact CB-CD1 4.21Å; A221-I233 HydrophobicContact CB-CG1 4.43Å; A229-I233 VanDerWaalsContact O-CG1 3.28Å; A229-I233 WeakPolarHBondContact O-CG1 3.39Å; A229-I233 PolarHBondContact O-N 2.93Å; K231-I233 PolarHBondContact O-N 3.36Å; I233-E236 PolarHBondContact O-N 3Å; I233-K237 WeakPolarHBondContact O-CB 3.45Å; I233-K237 PolarHBondContact O-N 3.01Å
234R97.5Very high97.7Very high14 Ų1465.5 Ų65.55%0.05331%0.313CS..Hα-helixtrans-62.7-44.5175.7-177.765.8-91.1179.5-12.6112C126 F129 M230 K231 T232 K237 D238C126-R234 PolarHBondContact O-NH1 2.78Å; C126-R234 PolarHBondContact SG-NH1 3.38Å; F129-R234 HydrophobicContact CD1-CG 4.13Å; F129-R234 HydrophobicContact CD2-CG 3.93Å; F129-R234 HydrophobicContact CE1-CB 4.44Å; F129-R234 HydrophobicContact CE1-CG 3.8Å; F129-R234 HydrophobicContact CE2-CB 3.8Å; F129-R234 HydrophobicContact CE2-CG 3.63Å; F129-R234 HydrophobicContact CG-CG 4.17Å; F129-R234 HydrophobicContact CZ-CB 3.74Å; F129-R234 HydrophobicContact CZ-CG 3.54Å; M230-R234 VanDerWaalsContact O-CB 3.25Å; M230-R234 WeakPolarHBondContact O-CB 3.41Å; M230-R234 PolarHBondContact O-N 2.97Å; K231-R234 PolarHBondContact O-N 3.16Å; T232-R234 VanDerWaalsContact C-N 3.32Å; T232-R234 PolarHBondContact O-N 3.47Å; R234-K237 PolarHBondContact O-N 2.65Å; R234-D238 IonicContact CZ-OD1 2.71Å; R234-D238 IonicContact NE-OD1 3.66Å; R234-D238 PolarHBondContact NE-OD1 3.25Å; R234-D238 IonicContact NH2-OD1 2.82Å; R234-D238 PolarHBondContact NH2-OD1 3.2Å; R234-D238 PolarHBondContact O-N 2.9Å
235E97.5Very high97.7Very high83 Ų8361.3 Ų61.339%0.38828%0.281SS..Hα-helixtrans-66.5-37.6178.5-74.1176.9-177.300112.3K231 T232 D238 R239K231-E235 WeakPolarHBondContact CE-OE1 3.47Å; K231-E235 WeakPolarHBondContact CG-OE1 3.48Å; K231-E235 WeakPolarHBondContact O-CG 2.98Å; K231-E235 PolarHBondContact O-N 3.02Å; T232-E235 PolarHBondContact O-N 3.02Å; E235-D238 PolarHBondContact O-N 2.9Å; E235-R239 PolarHBondContact O-NH1 3.36Å
236E98.3Very high97.7Very high54 Ų5460.5 Ų60.525%0.25227%0.274SS..Hα-helixtrans-63.6-45.2172.2-73.2177.4-173.200111.5F167 H220 T232 I233 D238 R239 F240F167-E236 HydrophobicContact CE2-CB 4.06Å; F167-E236 HydrophobicContact CZ-CB 4.08Å; H220-E236 IonicContact CD2-OE2 3.26Å; H220-E236 IonicContact CE1-OE2 3.82Å; H220-E236 IonicContact NE2-OE1 3.87Å; H220-E236 IonicContact NE2-OE2 2.74Å; H220-E236 PolarHBondContact NE2-OE2 3.14Å; T232-E236 WeakPolarHBondContact O-CG 3.36Å; T232-E236 PolarHBondContact O-N 3.33Å; I233-E236 PolarHBondContact O-N 3Å; E236-D238 VanDerWaalsContact C-N 3.25Å; E236-D238 PolarHBondContact O-N 2.74Å; E236-R239 PolarHBondContact O-N 3.33Å; E236-F240 PolarHBondContact O-N 3.48Å
237K97.9Very high97.6Very high29 Ų2962.6 Ų62.613%0.12628%0.279CS..Hα-helixtrans-63.3-31177.6-165.6172.9-171.6-56.10113.1N164 F167 I233 R234 R239 F240N164-K237 WeakPolarHBondContact OD1-CE 3.18Å; N164-K237 PolarHBondContact OD1-NZ 2.82Å; F167-K237 HydrophobicContact CB-CG 4.47Å; F167-K237 HydrophobicContact CD1-CB 3.95Å; F167-K237 HydrophobicContact CD1-CD 3.64Å; F167-K237 HydrophobicContact CD1-CG 3.7Å; F167-K237 HydrophobicContact CD2-CB 4.1Å; F167-K237 HydrophobicContact CD2-CG 4.07Å; F167-K237 HydrophobicContact CE1-CB 3.62Å; F167-K237 HydrophobicContact CE1-CD 3.95Å; F167-K237 HydrophobicContact CE1-CG 3.92Å; F167-K237 VanDerWaalsContact CE2-CA 3.46Å; F167-K237 HydrophobicContact CE2-CB 3.79Å; F167-K237 HydrophobicContact CE2-CG 4.27Å; F167-K237 HydrophobicContact CG-CB 4.18Å; F167-K237 HydrophobicContact CG-CD 4.14Å; F167-K237 HydrophobicContact CG-CG 3.78Å; F167-K237 HydrophobicContact CZ-CB 3.54Å; F167-K237 HydrophobicContact CZ-CG 4.2Å; I233-K237 WeakPolarHBondContact O-CB 3.45Å; I233-K237 PolarHBondContact O-N 3.01Å; R234-K237 PolarHBondContact O-N 2.65Å; K237-R239 PolarHBondContact O-N 3.16Å; K237-F240 PolarHBondContact O-N 2.71Å
238D96Very high97.6Very high62 Ų6263.5 Ų63.533%0.33228%0.281SS..THydrogen-bonded Turntrans-69-16.8175.9-84.725.8000113R128 R234 E235 E236R128-D238 IonicContact CZ-OD2 3.55Å; R128-D238 IonicContact NE-OD1 2.7Å; R128-D238 IonicContact NE-OD2 3.55Å; R128-D238 PolarHBondContact NE-OD2 3.45Å; R128-D238 IonicContact NH2-OD2 3.96Å; R128-D238 PolarHBondContact NH2-OD2 3.03Å; R234-D238 IonicContact CZ-OD1 2.71Å; R234-D238 IonicContact NE-OD1 3.66Å; R234-D238 PolarHBondContact NE-OD1 3.25Å; R234-D238 IonicContact NH2-OD1 2.82Å; R234-D238 PolarHBondContact NH2-OD1 3.2Å; R234-D238 PolarHBondContact O-N 2.9Å; E235-D238 PolarHBondContact O-N 2.9Å; E236-D238 VanDerWaalsContact C-N 3.25Å; E236-D238 PolarHBondContact O-N 2.74Å
239R96.5Very high97.6Very high174 Ų17459.2 Ų59.266%0.65726%0.262SS*.THydrogen-bonded Turntrans-107.9-4.2179-63.1-177.2-65.6-96.2-0.2114E235 E236 K237E235-R239 PolarHBondContact O-NH1 3.36Å; E236-R239 PolarHBondContact O-N 3.33Å; K237-R239 PolarHBondContact O-N 3.16Å
240F96Very high97.5Very high150 Ų15064.5 Ų64.566%0.65829%0.286SS*.  trans-87.70179.2177.2-95.3000111.1E166 F167 T170 E236 K237E166-F240 HydrophobicContact CB-CZ 4.36Å; F167-F240 HydrophobicContact CB-CD1 3.85Å; F167-F240 HydrophobicContact CB-CE1 3.91Å; F167-F240 HydrophobicContact CB-CG 4.38Å; F167-F240 HydrophobicContact CB-CZ 4.5Å; F167-F240 HydrophobicContact CD2-CB 3.79Å; F167-F240 HydrophobicContact CD2-CD1 4.07Å; F167-F240 HydrophobicContact CD2-CD2 4.2Å; F167-F240 AromaticContact CD2-CG 3.76Å; F167-F240 HydrophobicContact CD2-CG 3.76Å; F167-F240 HydrophobicContact CE2-CB 4.32Å; F167-F240 HydrophobicContact CG-CD1 4.41Å; T170-F240 HydrophobicContact CG2-CE2 3.95Å; E236-F240 PolarHBondContact O-N 3.48Å; K237-F240 PolarHBondContact O-N 2.71Å

Retrieved 240 of 240 residues in 81.7 ms (Link to these results)

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