A0A096M9R3_POEFO Loading...

HSF-type DNA-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M9R3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 421 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
1M40.5Very low43.8Very low229 Ų229125.7 Ų125.7100%1.12871%0.714SS**  0157.50-70.1-176.117600106.3
2D38.7Very low45.7Very low150 Ų150116.5 Ų116.580%0.80266%0.661SS**  trans97.584.5178.4-41.7-31.3000114.8
3D33.2Very low48Very low162 Ų162111.1 Ų111.187%0.86663%0.629SS**  trans-159.314.8151.4-90.6-33.6000112.7
4A40.3Very low50.1Low91 Ų91107.7 Ų107.775%0.75261%0.614SS**SBendtrans-86.7-2.9-176.400000114.6
5N40.1Very low52.1Low160 Ų160106.7 Ų106.786%0.85661%0.606SS**SBendtrans-122.52.3-166.8-84-26.2000116.4F7N5-F7 VanDerWaalsContact C-N 3.29Å; N5-F7 PolarHBondContact O-N 3.5Å
6N40.4Very low54.2Low153 Ų153101.8 Ų101.882%0.81858%0.577SS**  trans-98.444.3179-147.710.2000113.3
7F47.8Very low56.3Low95 Ų9596.8 Ų96.842%0.41755%0.547SS..  trans-101.293.5175.4-113.2-73.6000109.4N5 P9 W22 P115N5-F7 VanDerWaalsContact C-N 3.29Å; N5-F7 PolarHBondContact O-N 3.5Å; F7-P9 WeakPolarHBondContact O-CD 3.18Å; F7-W22 HydrophobicContact CB-CH2 4.2Å; F7-W22 HydrophobicContact CB-CZ3 4.32Å; F7-W22 AromaticContact CD1-CH2 3.26Å; F7-W22 HydrophobicContact CD1-CH2 3.26Å; F7-W22 AromaticContact CD1-CZ2 3.86Å; F7-W22 HydrophobicContact CD1-CZ2 3.86Å; F7-W22 AromaticContact CD1-CZ3 3.74Å; F7-W22 HydrophobicContact CD1-CZ3 3.74Å; F7-W22 AromaticContact CD2-CH2 3.43Å; F7-W22 HydrophobicContact CD2-CH2 3.43Å; F7-W22 VanDerWaalsContact CD2-CH2 3.43Å; F7-W22 HydrophobicContact CD2-CZ2 4.15Å; F7-W22 HydrophobicContact CD2-CZ3 4.34Å; F7-W22 AromaticContact CE1-CH2 3.32Å; F7-W22 HydrophobicContact CE1-CH2 3.32Å; F7-W22 AromaticContact CE1-CZ2 3.4Å; F7-W22 HydrophobicContact CE1-CZ2 3.4Å; F7-W22 VanDerWaalsContact CE1-CZ2 3.4Å; F7-W22 HydrophobicContact CE1-CZ3 4.15Å; F7-W22 AromaticContact CE2-CH2 3.46Å; F7-W22 HydrophobicContact CE2-CH2 3.46Å; F7-W22 VanDerWaalsContact CE2-CH2 3.46Å; F7-W22 AromaticContact CE2-CZ2 3.68Å; F7-W22 HydrophobicContact CE2-CZ2 3.68Å; F7-W22 AromaticContact CG-CH2 3.3Å; F7-W22 HydrophobicContact CG-CH2 3.3Å; F7-W22 HydrophobicContact CG-CZ2 4.2Å; F7-W22 AromaticContact CG-CZ3 3.84Å; F7-W22 HydrophobicContact CG-CZ3 3.84Å; F7-W22 AromaticContact CZ-CH2 3.4Å; F7-W22 HydrophobicContact CZ-CH2 3.4Å; F7-W22 VanDerWaalsContact CZ-CH2 3.4Å; F7-W22 AromaticContact CZ-CZ2 3.27Å; F7-W22 HydrophobicContact CZ-CZ2 3.27Å; F7-P115 HydrophobicContact CD1-CB 4.23Å; F7-P115 HydrophobicContact CD1-CG 4.41Å; F7-P115 HydrophobicContact CE1-CB 3.13Å; F7-P115 HydrophobicContact CE1-CG 3.16Å; F7-P115 HydrophobicContact CZ-CB 3.61Å; F7-P115 HydrophobicContact CZ-CG 3.34Å
8N45.6Very low58.2Low141 Ų14191.4 Ų91.475%0.75452%0.517SS*.  trans-97.596.3168.8-155.5-4000107.7G10N8-G10 PolarHBondContact O-N 3.33Å
9P51.9Low59.8Low64 Ų6487.1 Ų87.142%0.41649%0.494SS..  trans-69.552.4166.832.4-36.1000109.2F7 N11 I12F7-P9 WeakPolarHBondContact O-CD 3.18Å; P9-N11 PolarHBondContact O-N 2.89Å; P9-I12 PolarHBondContact O-N 3.48Å
10G46.8Very low61.2Low62 Ų6284.4 Ų84.464%0.63948%0.476SS*.THydrogen-bonded Turntrans-66.912-157.900000115.6N8N8-G10 PolarHBondContact O-N 3.33Å
11N56.4Low62.7Low76 Ų7680.3 Ų80.341%0.40645%0.453SS..THydrogen-bonded Turntrans-138.5-7178.6-146.27.4000114.3P9 R141P9-N11 PolarHBondContact O-N 2.89Å; N11-R141 VanDerWaalsContact CG-CZ 3.45Å; N11-R141 VanDerWaalsContact ND2-CZ 3.3Å; N11-R141 PolarHBondContact ND2-NH2 3.07Å; N11-R141 PolarHBondContact OD1-NE 3.08Å; N11-R141 PolarHBondContact OD1-NH1 3.26Å; N11-R141 PolarHBondContact OD1-NH2 3.16Å
12I66.6Low65Low15 Ų1570.9 Ų70.98%0.07741%0.405CS..SBendtrans-111.3128.3-176.1-55.2175.8000107.4P9 P14 I16 A19 L118 E119P9-I12 PolarHBondContact O-N 3.48Å; I12-P14 WeakPolarHBondContact O-CD 3.47Å; I12-P14 VanDerWaalsContact O-N 3.08Å; I12-I16 HydrophobicContact CG2-CD1 3.33Å; I12-I16 HydrophobicContact CG2-CG1 3.93Å; I12-A19 HydrophobicContact CG2-CB 4.39Å; I12-L118 HydrophobicContact CD1-CB 3.43Å; I12-L118 VanDerWaalsContact CD1-CB 3.43Å; I12-E119 HydrophobicContact CD1-CB 4.01Å; I12-E119 VanDerWaalsContact CD1-N 3.32Å; I12-E119 HydrophobicContact CG1-CB 4.33Å
13N76.1Confident67.4Low46 Ų4668 Ų6825%0.24638%0.383CS..  trans-58.8118.2178.8172.50.7000109.4N15 I16 L142N13-N15 PolarHBondContact O-N 3.45Å; N13-N15 VanDerWaalsContact OD1-CB 3.31Å; N13-N15 WeakPolarHBondContact OD1-CB 3.36Å; N13-N15 PolarHBondContact OD1-N 3.18Å; N13-N15 PolarHBondContact OD1-ND2 2.93Å; N13-I16 HydrophobicContact CB-CG2 3.98Å; N13-I16 VanDerWaalsContact O-CG1 3.3Å; N13-I16 WeakPolarHBondContact O-CG1 3.37Å; N13-I16 PolarHBondContact O-N 3.28Å; N13-L142 HydrophobicContact CB-CD2 3.55Å; N13-L142 HydrophobicContact CB-CG 4.49Å; N13-L142 WeakPolarHBondContact ND2-CD2 3.2Å
14P76.7Confident70Confident64 Ų6460.7 Ų60.742%0.41634%0.344SS..THydrogen-bonded Turntrans-61.7-16.7-175.625.6-35.9000113.3I12I12-P14 WeakPolarHBondContact O-CD 3.47Å; I12-P14 VanDerWaalsContact O-N 3.08Å
15N80.5Confident72.4Confident93 Ų9356.8 Ų56.850%0.49731%0.311SS..THydrogen-bonded Turntrans-83.4-7.6179.9-62.7-62.1000114.2N13 K20N13-N15 PolarHBondContact O-N 3.45Å; N13-N15 VanDerWaalsContact OD1-CB 3.31Å; N13-N15 WeakPolarHBondContact OD1-CB 3.36Å; N13-N15 PolarHBondContact OD1-N 3.18Å; N13-N15 PolarHBondContact OD1-ND2 2.93Å; N15-K20 WeakPolarHBondContact O-CE 3.49Å
16I85.9Confident74.7Confident27 Ų2751.3 Ų51.314%0.13828%0.282CS..SBendtrans-75.8154177.274.5172.9000111.1I12 N13 P18 A19 K20I12-I16 HydrophobicContact CG2-CD1 3.33Å; I12-I16 HydrophobicContact CG2-CG1 3.93Å; N13-I16 HydrophobicContact CB-CG2 3.98Å; N13-I16 VanDerWaalsContact O-CG1 3.3Å; N13-I16 WeakPolarHBondContact O-CG1 3.37Å; N13-I16 PolarHBondContact O-N 3.28Å; I16-P18 HydrophobicContact CD1-CB 4.47Å; I16-P18 HydrophobicContact CD1-CG 4.3Å; I16-A19 HydrophobicContact CG1-CB 3.92Å; I16-A19 PolarHBondContact O-N 2.72Å; I16-K20 PolarHBondContact O-N 3.13Å
17F89.8Confident76.7Confident18 Ų1846.8 Ų46.88%0.07926%0.257CS..Hα-helixtrans-54.8-48.1-177172.4-88.7000113.5A19 K20 L21 F67 F75 Q78 L79 Y82F17-A19 VanDerWaalsContact C-N 3.33Å; F17-A19 PolarHBondContact O-N 3.24Å; F17-K20 PolarHBondContact O-N 2.73Å; F17-L21 HydrophobicContact CE1-CB 4.45Å; F17-L21 HydrophobicContact CE1-CD2 3.86Å; F17-L21 HydrophobicContact CZ-CD2 4.08Å; F17-L21 VanDerWaalsContact O-CB 3.3Å; F17-L21 WeakPolarHBondContact O-CB 3.41Å; F17-L21 PolarHBondContact O-N 3.28Å; F17-F67 HydrophobicContact CD2-CD1 4.11Å; F17-F67 AromaticContact CD2-CE1 3.43Å; F17-F67 HydrophobicContact CD2-CE1 3.43Å; F17-F67 VanDerWaalsContact CD2-CE1 3.43Å; F17-F67 HydrophobicContact CD2-CZ 4.26Å; F17-F67 HydrophobicContact CE2-CD1 4.25Å; F17-F67 AromaticContact CE2-CE1 3.54Å; F17-F67 HydrophobicContact CE2-CE1 3.54Å; F17-F67 HydrophobicContact CE2-CZ 4.02Å; F17-F67 HydrophobicContact CG-CE1 4.49Å; F17-F75 AromaticContact CE2-CD2 3.87Å; F17-F75 HydrophobicContact CE2-CD2 3.87Å; F17-F75 AromaticContact CE2-CE2 3.77Å; F17-F75 HydrophobicContact CE2-CE2 3.77Å; F17-F75 HydrophobicContact CZ-CD2 4.31Å; F17-F75 AromaticContact CZ-CE2 3.94Å; F17-F75 HydrophobicContact CZ-CE2 3.94Å; F17-F75 HydrophobicContact CZ-CZ 4.41Å; F17-Q78 HydrophobicContact CD1-CB 4.12Å; F17-Q78 HydrophobicContact CD2-CB 3.51Å; F17-Q78 HydrophobicContact CD2-CG 3.9Å; F17-Q78 HydrophobicContact CE1-CB 3.92Å; F17-Q78 HydrophobicContact CE2-CB 3.31Å; F17-Q78 HydrophobicContact CE2-CG 4.02Å; F17-Q78 HydrophobicContact CG-CB 3.93Å; F17-Q78 HydrophobicContact CG-CG 4.48Å; F17-Q78 HydrophobicContact CZ-CB 3.53Å; F17-L79 HydrophobicContact CE1-CD2 3.97Å; F17-L79 HydrophobicContact CE1-CG 4.48Å; F17-L79 HydrophobicContact CZ-CD2 3.81Å; F17-L79 HydrophobicContact CZ-CG 4.03Å; F17-Y82 HydrophobicContact CB-CD2 4.39Å; F17-Y82 HydrophobicContact CB-CE2 3.64Å; F17-Y82 AromaticContact CD1-CD2 3.38Å; F17-Y82 HydrophobicContact CD1-CD2 3.38Å; F17-Y82 AromaticContact CD1-CE2 3.53Å; F17-Y82 HydrophobicContact CD1-CE2 3.53Å; F17-Y82 HydrophobicContact CD1-CG 4.26Å; F17-Y82 HydrophobicContact CE1-CD2 4.02Å; F17-Y82 HydrophobicContact CG-CD2 4.17Å; F17-Y82 AromaticContact CG-CE2 3.86Å; F17-Y82 HydrophobicContact CG-CE2 3.86Å
18P90.4Very high78Confident0 Ų048.6 Ų48.60%028%0.278CS..Hα-helixtrans-57.4-41.1177.2-29.435.5000114.5I16 L21 W22 Y82 L118 L121I16-P18 HydrophobicContact CD1-CB 4.47Å; I16-P18 HydrophobicContact CD1-CG 4.3Å; P18-L21 PolarHBondContact O-N 2.94Å; P18-W22 WeakPolarHBondContact O-CB 3.39Å; P18-W22 PolarHBondContact O-N 3.32Å; P18-Y82 HydrophobicContact CG-CD1 3.48Å; P18-Y82 VanDerWaalsContact CG-CD1 3.48Å; P18-Y82 HydrophobicContact CG-CD2 4.39Å; P18-Y82 HydrophobicContact CG-CE1 3.44Å; P18-Y82 VanDerWaalsContact CG-CE1 3.44Å; P18-Y82 HydrophobicContact CG-CE2 4.4Å; P18-Y82 HydrophobicContact CG-CG 3.98Å; P18-L118 HydrophobicContact CB-CD2 4.4Å; P18-L121 HydrophobicContact CB-CB 4.11Å; P18-L121 HydrophobicContact CB-CD1 3.86Å; P18-L121 HydrophobicContact CG-CB 3.88Å; P18-L121 HydrophobicContact CG-CD1 4.36Å
19A87.8Confident79.3Confident9 Ų945.5 Ų45.57%0.07427%0.273CS..Hα-helixtrans-68.2-44.5-18000000111.6I12 I16 F17 W22 R23I12-A19 HydrophobicContact CG2-CB 4.39Å; I16-A19 HydrophobicContact CG1-CB 3.92Å; I16-A19 PolarHBondContact O-N 2.72Å; F17-A19 VanDerWaalsContact C-N 3.33Å; F17-A19 PolarHBondContact O-N 3.24Å; A19-W22 PolarHBondContact O-N 2.86Å; A19-R23 PolarHBondContact O-N 3Å; A19-R23 VanDerWaalsContact O-N 3.09Å
20K89.1Confident80.5Confident32 Ų3244.1 Ų44.114%0.13926%0.262CS..Hα-helixtrans-60.6-46.1173.5-70.5176.4176.1-95.10111.7N15 I16 F17 W22 R23 L24 T64 F67N15-K20 WeakPolarHBondContact O-CE 3.49Å; I16-K20 PolarHBondContact O-N 3.13Å; F17-K20 PolarHBondContact O-N 2.73Å; K20-W22 VanDerWaalsContact C-N 3.34Å; K20-W22 PolarHBondContact O-N 3.16Å; K20-R23 PolarHBondContact O-N 3.32Å; K20-L24 VanDerWaalsContact O-CB 3.31Å; K20-L24 WeakPolarHBondContact O-CB 3.26Å; K20-L24 PolarHBondContact O-N 3.14Å; K20-T64 PolarHBondContact NZ-O 3.35Å; K20-F67 HydrophobicContact CB-CE1 4.09Å; K20-F67 HydrophobicContact CB-CZ 4.15Å; K20-F67 HydrophobicContact CD-CE1 4.47Å
21L91.4Very high82.2Confident0 Ų043.8 Ų43.80%026%0.258CS..Hα-helixtrans-59.9-45.5179.3179.664.1000111.2F17 P18 L24 V25 I33 I42 F67 F75 L79 F84 F110F17-L21 HydrophobicContact CE1-CB 4.45Å; F17-L21 HydrophobicContact CE1-CD2 3.86Å; F17-L21 HydrophobicContact CZ-CD2 4.08Å; F17-L21 VanDerWaalsContact O-CB 3.3Å; F17-L21 WeakPolarHBondContact O-CB 3.41Å; F17-L21 PolarHBondContact O-N 3.28Å; P18-L21 PolarHBondContact O-N 2.94Å; L21-L24 WeakPolarHBondContact O-CB 3.26Å; L21-L24 PolarHBondContact O-N 3.03Å; L21-V25 HydrophobicContact CD1-CG2 4.05Å; L21-V25 HydrophobicContact CG-CG2 4.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.49Å; L21-V25 PolarHBondContact O-N 3.44Å; L21-I33 HydrophobicContact CD1-CD1 3.97Å; L21-I42 HydrophobicContact CD1-CD1 4.36Å; L21-I42 HydrophobicContact CD2-CD1 4.21Å; L21-F67 HydrophobicContact CB-CZ 4.47Å; L21-F75 HydrophobicContact CD1-CE2 3.96Å; L21-F75 HydrophobicContact CD1-CZ 3.64Å; L21-L79 HydrophobicContact CD2-CD2 3.48Å; L21-L79 VanDerWaalsContact CD2-CD2 3.48Å; L21-F84 HydrophobicContact CD2-CE1 4.18Å; L21-F84 HydrophobicContact CD2-CE2 4.16Å; L21-F84 HydrophobicContact CD2-CZ 3.64Å; L21-F110 HydrophobicContact CB-CE2 4.4Å; L21-F110 HydrophobicContact CB-CZ 4.3Å; L21-F110 HydrophobicContact CD2-CE1 4.34Å; L21-F110 HydrophobicContact CD2-CE2 4.02Å; L21-F110 HydrophobicContact CD2-CZ 3.82Å; L21-F110 HydrophobicContact CG-CE1 4.42Å; L21-F110 HydrophobicContact CG-CE2 4.14Å; L21-F110 HydrophobicContact CG-CZ 3.68Å
22W89.9Confident83.7Confident30 Ų3040.2 Ų40.211%0.11424%0.239CC..Hα-helixtrans-64.2-43.1179.6-17289.5000112.4F7 P18 A19 K20 L24 V25 N26 F110 P115 L118F7-W22 HydrophobicContact CB-CH2 4.2Å; F7-W22 HydrophobicContact CB-CZ3 4.32Å; F7-W22 AromaticContact CD1-CH2 3.26Å; F7-W22 HydrophobicContact CD1-CH2 3.26Å; F7-W22 AromaticContact CD1-CZ2 3.86Å; F7-W22 HydrophobicContact CD1-CZ2 3.86Å; F7-W22 AromaticContact CD1-CZ3 3.74Å; F7-W22 HydrophobicContact CD1-CZ3 3.74Å; F7-W22 AromaticContact CD2-CH2 3.43Å; F7-W22 HydrophobicContact CD2-CH2 3.43Å; F7-W22 VanDerWaalsContact CD2-CH2 3.43Å; F7-W22 HydrophobicContact CD2-CZ2 4.15Å; F7-W22 HydrophobicContact CD2-CZ3 4.34Å; F7-W22 AromaticContact CE1-CH2 3.32Å; F7-W22 HydrophobicContact CE1-CH2 3.32Å; F7-W22 AromaticContact CE1-CZ2 3.4Å; F7-W22 HydrophobicContact CE1-CZ2 3.4Å; F7-W22 VanDerWaalsContact CE1-CZ2 3.4Å; F7-W22 HydrophobicContact CE1-CZ3 4.15Å; F7-W22 AromaticContact CE2-CH2 3.46Å; F7-W22 HydrophobicContact CE2-CH2 3.46Å; F7-W22 VanDerWaalsContact CE2-CH2 3.46Å; F7-W22 AromaticContact CE2-CZ2 3.68Å; F7-W22 HydrophobicContact CE2-CZ2 3.68Å; F7-W22 AromaticContact CG-CH2 3.3Å; F7-W22 HydrophobicContact CG-CH2 3.3Å; F7-W22 HydrophobicContact CG-CZ2 4.2Å; F7-W22 AromaticContact CG-CZ3 3.84Å; F7-W22 HydrophobicContact CG-CZ3 3.84Å; F7-W22 AromaticContact CZ-CH2 3.4Å; F7-W22 HydrophobicContact CZ-CH2 3.4Å; F7-W22 VanDerWaalsContact CZ-CH2 3.4Å; F7-W22 AromaticContact CZ-CZ2 3.27Å; F7-W22 HydrophobicContact CZ-CZ2 3.27Å; P18-W22 WeakPolarHBondContact O-CB 3.39Å; P18-W22 PolarHBondContact O-N 3.32Å; A19-W22 PolarHBondContact O-N 2.86Å; K20-W22 VanDerWaalsContact C-N 3.34Å; K20-W22 PolarHBondContact O-N 3.16Å; W22-L24 VanDerWaalsContact C-N 3.33Å; W22-L24 PolarHBondContact O-N 3.05Å; W22-V25 PolarHBondContact O-N 3.3Å; W22-N26 VanDerWaalsContact CH2-ND2 3.29Å; W22-N26 WeakPolarHBondContact CH2-ND2 3.41Å; W22-N26 WeakPolarHBondContact CZ2-ND2 3.2Å; W22-N26 WeakPolarHBondContact CZ3-ND2 3.09Å; W22-N26 PolarHBondContact NE1-ND2 3.09Å; W22-N26 WeakPolarHBondContact O-CB 3.3Å; W22-N26 PolarHBondContact O-N 3.39Å; W22-N26 VanDerWaalsContact O-N 3.14Å; W22-N26 PolarHBondContact O-ND2 3.32Å; W22-F110 HydrophobicContact CB-CE2 3.75Å; W22-F110 HydrophobicContact CB-CZ 3.91Å; W22-F110 HydrophobicContact CG-CE2 4.36Å; W22-F110 HydrophobicContact CG-CZ 4.44Å; W22-P115 HydrophobicContact CZ2-CB 4.13Å; W22-L118 HydrophobicContact CB-CD1 4.48Å; W22-L118 HydrophobicContact CB-CD2 3.72Å; W22-L118 HydrophobicContact CG-CD1 4Å; W22-L118 HydrophobicContact CG-CD2 4.01Å
23R88.3Confident84.9Confident90 Ų9039.6 Ų39.634%0.3424%0.236SC..Hα-helixtrans-63.8-40.8175.4-177.916049.1141.310.8111.8A19 K20 N26 N27 T64 D65A19-R23 PolarHBondContact O-N 3Å; A19-R23 VanDerWaalsContact O-N 3.09Å; K20-R23 PolarHBondContact O-N 3.32Å; R23-N26 PolarHBondContact O-N 2.97Å; R23-N27 PolarHBondContact O-N 2.67Å; R23-N27 VanDerWaalsContact O-N 3.16Å; R23-T64 PolarHBondContact NH2-O 3.01Å; R23-D65 WeakPolarHBondContact CD-OD1 3.29Å; R23-D65 WeakPolarHBondContact CG-OD1 3.36Å; R23-D65 IonicContact CZ-OD1 2.64Å; R23-D65 IonicContact CZ-OD2 3.24Å; R23-D65 VanDerWaalsContact NE-CG 3.33Å; R23-D65 IonicContact NE-OD1 2.71Å; R23-D65 PolarHBondContact NE-OD1 2.92Å; R23-D65 IonicContact NE-OD2 2.78Å; R23-D65 PolarHBondContact NE-OD2 2.93Å; R23-D65 IonicContact NH1-OD1 2.88Å; R23-D65 IonicContact NH1-OD2 3.12Å; R23-D65 PolarHBondContact NH1-OD2 2.94Å; R23-D65 IonicContact NH2-OD1 2.67Å; R23-D65 PolarHBondContact NH2-OD1 2.87Å; R23-D65 IonicContact NH2-OD2 3.67Å; R23-D65 PolarHBondContact NH2-OD2 2.89Å; R23-D65 VanDerWaalsContact NH2-OD2 3.12Å
24L88.8Confident85.7Confident9 Ų943.7 Ų43.75%0.04725%0.248CC..Hα-helixtrans-60.7-49.1176.3-176.275.6000111.9K20 L21 W22 N26 N27 D30 I33 F49 I53 F67K20-L24 VanDerWaalsContact O-CB 3.31Å; K20-L24 WeakPolarHBondContact O-CB 3.26Å; K20-L24 PolarHBondContact O-N 3.14Å; L21-L24 WeakPolarHBondContact O-CB 3.26Å; L21-L24 PolarHBondContact O-N 3.03Å; W22-L24 VanDerWaalsContact C-N 3.33Å; W22-L24 PolarHBondContact O-N 3.05Å; L24-N26 PolarHBondContact O-N 3.11Å; L24-N27 WeakPolarHBondContact O-CB 3.48Å; L24-N27 PolarHBondContact O-N 2.91Å; L24-D30 WeakPolarHBondContact CD1-OD2 2.95Å; L24-I33 HydrophobicContact CD2-CD1 4.44Å; L24-I33 HydrophobicContact CD2-CG2 3.94Å; L24-I33 HydrophobicContact CG-CG2 3.84Å; L24-F49 HydrophobicContact CD2-CE2 3.86Å; L24-F49 HydrophobicContact CD2-CZ 4.32Å; L24-I53 HydrophobicContact CD1-CD1 3.92Å; L24-I53 HydrophobicContact CD1-CG1 4.21Å; L24-I53 HydrophobicContact CD1-CG2 4.26Å; L24-I53 HydrophobicContact CD2-CD1 3.88Å; L24-I53 HydrophobicContact CD2-CG2 4.03Å; L24-I53 HydrophobicContact CG-CD1 4.23Å; L24-F67 HydrophobicContact CD2-CD2 4.46Å; L24-F67 HydrophobicContact CD2-CE2 3.63Å
25V90.6Very high86.4Confident8 Ų841.6 Ų41.65%0.04823%0.232CC..Hα-helixtrans-67.7-27.2-177.6-171.40000111.7L21 W22 I33 W35 I42 F110L21-V25 HydrophobicContact CD1-CG2 4.05Å; L21-V25 HydrophobicContact CG-CG2 4.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.49Å; L21-V25 PolarHBondContact O-N 3.44Å; W22-V25 PolarHBondContact O-N 3.3Å; V25-I33 HydrophobicContact CB-CG1 4.38Å; V25-I33 HydrophobicContact CG1-CG1 4.24Å; V25-I33 HydrophobicContact CG2-CD1 3.47Å; V25-I33 VanDerWaalsContact CG2-CD1 3.47Å; V25-I33 HydrophobicContact CG2-CG1 3.75Å; V25-W35 HydrophobicContact CB-CZ2 4.35Å; V25-W35 HydrophobicContact CG1-CD2 3.75Å; V25-W35 VanDerWaalsContact CG1-CE2 3.49Å; V25-W35 HydrophobicContact CG1-CG 3.82Å; V25-W35 HydrophobicContact CG1-CZ2 4.12Å; V25-I42 HydrophobicContact CG1-CG2 3.96Å; V25-I42 HydrophobicContact CG2-CG2 3.99Å; V25-F110 HydrophobicContact CG2-CE1 4.45Å; V25-F110 HydrophobicContact CG2-CZ 4.41Å
26N87.6Confident86.9Confident46 Ų4638.7 Ų38.725%0.24622%0.217CC..THydrogen-bonded Turntrans-87.2-4.7177.9-71.1-49.7000114.1W22 R23 L24 P28 W35W22-N26 VanDerWaalsContact CH2-ND2 3.29Å; W22-N26 WeakPolarHBondContact CH2-ND2 3.41Å; W22-N26 WeakPolarHBondContact CZ2-ND2 3.2Å; W22-N26 WeakPolarHBondContact CZ3-ND2 3.09Å; W22-N26 PolarHBondContact NE1-ND2 3.09Å; W22-N26 WeakPolarHBondContact O-CB 3.3Å; W22-N26 PolarHBondContact O-N 3.39Å; W22-N26 VanDerWaalsContact O-N 3.14Å; W22-N26 PolarHBondContact O-ND2 3.32Å; R23-N26 PolarHBondContact O-N 2.97Å; L24-N26 PolarHBondContact O-N 3.11Å; N26-P28 VanDerWaalsContact O-CD 3.29Å; N26-P28 WeakPolarHBondContact O-CD 3.22Å; N26-W35 PolarHBondContact OD1-NE1 3.27Å
27N83.8Confident87Confident57 Ų5743.6 Ų43.631%0.30525%0.253SS..  trans-77.1114.8176.6-175.36.1000109.7R23 L24 A29 D30R23-N27 PolarHBondContact O-N 2.67Å; R23-N27 VanDerWaalsContact O-N 3.16Å; L24-N27 WeakPolarHBondContact O-CB 3.48Å; L24-N27 PolarHBondContact O-N 2.91Å; N27-A29 PolarHBondContact O-N 3.29Å; N27-A29 VanDerWaalsContact O-N 3.16Å; N27-A29 WeakPolarHBondContact OD1-CB 3.35Å; N27-A29 PolarHBondContact OD1-N 3.02Å; N27-A29 VanDerWaalsContact OD1-N 3.17Å; N27-D30 WeakPolarHBondContact CB-OD2 3.07Å; N27-D30 PolarHBondContact ND2-OD2 3.28Å; N27-D30 PolarHBondContact O-N 2.93Å
28P73.4Confident87Confident133 Ų13350.9 Ų50.986%0.86428%0.28SS*.THydrogen-bonded Turntrans-68.2-13-179.629.7-36.3000113.3N26 D30N26-P28 VanDerWaalsContact O-CD 3.29Å; N26-P28 WeakPolarHBondContact O-CD 3.22Å; P28-D30 VanDerWaalsContact C-N 3.32Å
29A74.4Confident86.9Confident77 Ų7751.2 Ų51.264%0.63628%0.283SS*.THydrogen-bonded Turntrans-75.7-20.5177.100000113.1N27 G31N27-A29 PolarHBondContact O-N 3.29Å; N27-A29 VanDerWaalsContact O-N 3.16Å; N27-A29 WeakPolarHBondContact OD1-CB 3.35Å; N27-A29 PolarHBondContact OD1-N 3.02Å; N27-A29 VanDerWaalsContact OD1-N 3.17Å; A29-G31 PolarHBondContact O-N 3.49Å
30D76.5Confident87.1Confident34 Ų3453.5 Ų53.518%0.18229%0.293CS..  trans-94.197.8-173.8-65.4-42000110.4L24 N27 P28 A32 I33L24-D30 WeakPolarHBondContact CD1-OD2 2.95Å; N27-D30 WeakPolarHBondContact CB-OD2 3.07Å; N27-D30 PolarHBondContact ND2-OD2 3.28Å; N27-D30 PolarHBondContact O-N 2.93Å; P28-D30 VanDerWaalsContact C-N 3.32Å; D30-A32 PolarHBondContact O-N 2.95Å; D30-I33 HydrophobicContact CB-CG2 4.4Å
31G82.1Confident87.2Confident55 Ų5553 Ų5357%0.56729%0.292SS*.THydrogen-bonded Turntrans-72.9-11174.900000113.9A29A29-G31 PolarHBondContact O-N 3.49Å
32A88.8Confident87.4Confident1 Ų153.1 Ų53.11%0.00829%0.293CS..THydrogen-bonded Turntrans-79.3-22.8-17600000114.3D30 D45 L48 F49 I53D30-A32 PolarHBondContact O-N 2.95Å; A32-D45 PolarHBondContact O-N 3.14Å; A32-L48 HydrophobicContact CB-CB 3.77Å; A32-F49 HydrophobicContact CB-CB 4.18Å; A32-F49 HydrophobicContact CB-CD2 4.38Å; A32-I53 HydrophobicContact CB-CD1 3.74Å; A32-I53 HydrophobicContact CB-CG1 4.49Å
33I91.4Very high87.5Confident2 Ų251.9 Ų51.91%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-140.9133.7-179.6-175.6161.6000109.8L21 L24 V25 D30 I42 V43 I44 F49 I53L21-I33 HydrophobicContact CD1-CD1 3.97Å; L24-I33 HydrophobicContact CD2-CD1 4.44Å; L24-I33 HydrophobicContact CD2-CG2 3.94Å; L24-I33 HydrophobicContact CG-CG2 3.84Å; V25-I33 HydrophobicContact CB-CG1 4.38Å; V25-I33 HydrophobicContact CG1-CG1 4.24Å; V25-I33 HydrophobicContact CG2-CD1 3.47Å; V25-I33 VanDerWaalsContact CG2-CD1 3.47Å; V25-I33 HydrophobicContact CG2-CG1 3.75Å; D30-I33 HydrophobicContact CB-CG2 4.4Å; I33-I42 HydrophobicContact CD1-CD1 4.49Å; I33-V43 WeakPolarHBondContact CA-O 3.2Å; I33-I44 HydrophobicContact CD1-CD1 3.9Å; I33-I44 HydrophobicContact CD1-CG1 3.88Å; I33-I44 HydrophobicContact CG1-CG1 4.02Å; I33-F49 HydrophobicContact CB-CD2 4.39Å; I33-F49 HydrophobicContact CB-CE2 4.46Å; I33-F49 HydrophobicContact CD1-CE2 4.29Å; I33-I53 HydrophobicContact CG2-CD1 4.03Å
34R91.8Very high87.7Confident133 Ų13347.6 Ų47.650%0.50227%0.272SS..EExtended strand (participates in β ladder)trans-147.8162.1-177.962.4-177.3177.584.1-2.6111.9I42 V43R34-I42 WeakPolarHBondContact O-CA 3.29Å; R34-V43 HydrophobicContact CG-CB 4.04Å; R34-V43 PolarHBondContact N-O 2.89Å; R34-V43 PolarHBondContact O-N 3.36Å
35W92Very high87.8Confident20 Ų2047.3 Ų47.38%0.07627%0.271CS..EExtended strand (participates in β ladder)trans-75.6154167-66.6104.6000111.4V25 N26 G39 V41 I42 F110 R112V25-W35 HydrophobicContact CB-CZ2 4.35Å; V25-W35 HydrophobicContact CG1-CD2 3.75Å; V25-W35 VanDerWaalsContact CG1-CE2 3.49Å; V25-W35 HydrophobicContact CG1-CG 3.82Å; V25-W35 HydrophobicContact CG1-CZ2 4.12Å; N26-W35 PolarHBondContact OD1-NE1 3.27Å; W35-G39 WeakPolarHBondContact CZ3-O 3.42Å; W35-V41 CarbonylContact C-O 3.52Å; W35-I42 HydrophobicContact CD2-CG2 4.42Å; W35-I42 HydrophobicContact CE3-CG2 3.88Å; W35-I42 HydrophobicContact CH2-CG2 4.2Å; W35-I42 HydrophobicContact CZ3-CG2 3.76Å; W35-F110 AromaticContact CH2-CD1 3.38Å; W35-F110 HydrophobicContact CH2-CD1 3.38Å; W35-F110 AromaticContact CH2-CE1 3.18Å; W35-F110 HydrophobicContact CH2-CE1 3.18Å; W35-F110 HydrophobicContact CH2-CG 4.36Å; W35-F110 HydrophobicContact CH2-CZ 4.08Å; W35-F110 HydrophobicContact CZ2-CD1 4.38Å; W35-F110 AromaticContact CZ2-CE1 3.78Å; W35-F110 HydrophobicContact CZ2-CE1 3.78Å; W35-F110 HydrophobicContact CZ2-CZ 4.35Å; W35-F110 AromaticContact CZ3-CD1 3.81Å; W35-F110 HydrophobicContact CZ3-CD1 3.81Å; W35-F110 AromaticContact CZ3-CE1 3.86Å; W35-F110 HydrophobicContact CZ3-CE1 3.86Å; W35-R112 HydrophobicContact CD2-CB 3.8Å; W35-R112 HydrophobicContact CD2-CG 4.32Å; W35-R112 HydrophobicContact CE3-CB 4.25Å; W35-R112 HydrophobicContact CG-CB 4.14Å; W35-R112 HydrophobicContact CG-CG 4.27Å; W35-R112 HydrophobicContact CH2-CB 4.37Å; W35-R112 HydrophobicContact CZ2-CB 3.98Å
36D90.8Very high87.8Confident32 Ų3249.1 Ų49.117%0.17128%0.279CS..  trans-67.9172.2159.676.1-38.6000111.1R38 G39 Q40 V41D36-R38 PolarHBondContact O-N 2.75Å; D36-R38 VanDerWaalsContact O-N 3.09Å; D36-R38 WeakPolarHBondContact OD2-CB 3.48Å; D36-R38 PolarHBondContact OD2-N 2.83Å; D36-G39 PolarHBondContact O-N 3.11Å; D36-G39 VanDerWaalsContact O-N 3.11Å; D36-G39 WeakPolarHBondContact OD1-CA 3.34Å; D36-G39 PolarHBondContact OD1-N 3.5Å; D36-Q40 PolarHBondContact OD1-N 3.09Å; D36-V41 HydrophobicContact CB-CB 4.02Å; D36-V41 PolarHBondContact N-O 3.12Å; D36-V41 PolarHBondContact OD1-N 3.36Å
37S88.7Confident87.9Confident129 Ų12951.3 Ų51.390%0.90229%0.287SS*.THydrogen-bonded Turntrans-57.2-26.6179.553.40000113.2
38R88.6Confident88.1Confident171 Ų17150.6 Ų50.665%0.64528%0.284SS*.THydrogen-bonded Turntrans-94.6-11-178.4-56.8174.766.8-151.1-0.3113.7D36 Q40D36-R38 PolarHBondContact O-N 2.75Å; D36-R38 VanDerWaalsContact O-N 3.09Å; D36-R38 WeakPolarHBondContact OD2-CB 3.48Å; D36-R38 PolarHBondContact OD2-N 2.83Å; R38-Q40 VanDerWaalsContact C-N 3.32Å; R38-Q40 HydrophobicContact CB-CG 4.19Å; R38-Q40 VanDerWaalsContact NH1-OE1 3.13Å
39G89.8Confident88.9Confident7 Ų744.3 Ų44.37%0.07224%0.242CC..SBendtrans69.625.4-176.500000114.6W35 D36 Q111 R112W35-G39 WeakPolarHBondContact CZ3-O 3.42Å; D36-G39 PolarHBondContact O-N 3.11Å; D36-G39 VanDerWaalsContact O-N 3.11Å; D36-G39 WeakPolarHBondContact OD1-CA 3.34Å; D36-G39 PolarHBondContact OD1-N 3.5Å; G39-Q111 WeakPolarHBondContact O-CA 3.41Å; G39-R112 PolarHBondContact O-N 3.23Å
40Q90.8Very high89.6Confident58 Ų5844.3 Ų44.327%0.27123%0.23SC..SBendtrans-109.9-27.7-178.6-63.8-176.5-11.100112.5D36 R38 H106D36-Q40 PolarHBondContact OD1-N 3.09Å; R38-Q40 VanDerWaalsContact C-N 3.32Å; R38-Q40 HydrophobicContact CB-CG 4.19Å; R38-Q40 VanDerWaalsContact NH1-OE1 3.13Å; Q40-H106 PolarHBondContact O-CD2 3.39Å
41V92.6Very high90.1Very high22 Ų2246.8 Ų46.813%0.13325%0.246CC..EExtended strand (participates in β ladder)trans-117.2137.5-177.4-1780000108.4W35 D36 H104 F105 H106W35-V41 CarbonylContact C-O 3.52Å; D36-V41 HydrophobicContact CB-CB 4.02Å; D36-V41 PolarHBondContact N-O 3.12Å; D36-V41 PolarHBondContact OD1-N 3.36Å; V41-H104 HydrophobicContact CG1-CB 4Å; V41-F105 WeakPolarHBondContact CA-O 3.08Å; V41-F105 WeakPolarHBondContact CG1-O 3.48Å; V41-H106 HydrophobicContact CG2-CB 4.21Å
42I94Very high90.2Very high1 Ų148 Ų481%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-94.2136.1168.262.8177.1000109.5L21 V25 I33 R34 W35 I44 L79 F84 H104 F105 F110L21-I42 HydrophobicContact CD1-CD1 4.36Å; L21-I42 HydrophobicContact CD2-CD1 4.21Å; V25-I42 HydrophobicContact CG1-CG2 3.96Å; V25-I42 HydrophobicContact CG2-CG2 3.99Å; I33-I42 HydrophobicContact CD1-CD1 4.49Å; R34-I42 WeakPolarHBondContact O-CA 3.29Å; W35-I42 HydrophobicContact CD2-CG2 4.42Å; W35-I42 HydrophobicContact CE3-CG2 3.88Å; W35-I42 HydrophobicContact CH2-CG2 4.2Å; W35-I42 HydrophobicContact CZ3-CG2 3.76Å; I42-I44 HydrophobicContact CD1-CD1 4.25Å; I42-L79 HydrophobicContact CD1-CD2 4Å; I42-F84 HydrophobicContact CD1-CD1 4.36Å; I42-F84 HydrophobicContact CD1-CE1 4.11Å; I42-H104 WeakPolarHBondContact O-CA 3.2Å; I42-F105 HydrophobicContact CD1-CB 4.14Å; I42-F105 HydrophobicContact CG1-CB 3.74Å; I42-F105 WeakPolarHBondContact CG1-O 3.39Å; I42-F105 PolarHBondContact N-O 2.83Å; I42-F105 PolarHBondContact O-N 3.17Å; I42-F110 HydrophobicContact CG2-CD1 4.07Å; I42-F110 HydrophobicContact CG2-CE1 3.58Å
43V92.4Very high90Very high4 Ų448.1 Ų48.12%0.02424%0.237CC..EExtended strand (participates in β ladder)trans-114.5127.5178.9-171.30000107.9I33 R34 Y102 H103I33-V43 WeakPolarHBondContact CA-O 3.2Å; R34-V43 HydrophobicContact CG-CB 4.04Å; R34-V43 PolarHBondContact N-O 2.89Å; R34-V43 PolarHBondContact O-N 3.36Å; V43-Y102 HydrophobicContact CG1-CD1 4.04Å; V43-H103 WeakPolarHBondContact CA-O 3.05Å
44I92.8Very high89.7Confident0 Ų048.3 Ų48.30%024%0.238CC..EExtended strand (participates in β ladder)trans-124.7121.7-174.2-47.3-175.2000109.2I33 I42 Q46 F49 F72 F75 L79 Y102 H103 F105I33-I44 HydrophobicContact CD1-CD1 3.9Å; I33-I44 HydrophobicContact CD1-CG1 3.88Å; I33-I44 HydrophobicContact CG1-CG1 4.02Å; I42-I44 HydrophobicContact CD1-CD1 4.25Å; I44-Q46 PolarHBondContact O-N 2.98Å; I44-F49 HydrophobicContact CG2-CB 3.85Å; I44-F49 HydrophobicContact CG2-CD2 3.58Å; I44-F49 HydrophobicContact CG2-CE2 4.26Å; I44-F49 HydrophobicContact CG2-CG 3.76Å; I44-F72 HydrophobicContact CG2-CE2 3.97Å; I44-F75 HydrophobicContact CD1-CE1 3.51Å; I44-F75 HydrophobicContact CD1-CZ 4.1Å; I44-L79 HydrophobicContact CD1-CD1 4.2Å; I44-Y102 CarbonylContact O-C 3.59Å; I44-Y102 WeakPolarHBondContact O-CA 3.46Å; I44-H103 PolarHBondContact N-O 2.97Å; I44-H103 PolarHBondContact O-N 2.92Å; I44-F105 HydrophobicContact CD1-CD2 3.94Å; I44-F105 HydrophobicContact CD1-CE2 4.08Å; I44-F105 HydrophobicContact CG1-CD2 4.46Å
45D91.3Very high89.1Confident4 Ų443.2 Ų43.22%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-82.1110168-176-41.3000108.2A32 Q47 L48 F49 R100 Y102A32-D45 PolarHBondContact O-N 3.14Å; D45-Q47 VanDerWaalsContact C-N 3.33Å; D45-Q47 PolarHBondContact O-N 3.09Å; D45-Q47 PolarHBondContact OD1-N 2.87Å; D45-Q47 VanDerWaalsContact OD1-N 3.12Å; D45-L48 HydrophobicContact CB-CB 4.11Å; D45-L48 HydrophobicContact CB-CD1 4.33Å; D45-L48 HydrophobicContact CB-CG 4.43Å; D45-L48 PolarHBondContact O-N 3.19Å; D45-L48 PolarHBondContact OD1-N 3.49Å; D45-L48 VanDerWaalsContact OD1-N 3.16Å; D45-L48 WeakPolarHBondContact OD2-CD1 3.35Å; D45-F49 WeakPolarHBondContact O-CB 3.37Å; D45-F49 PolarHBondContact O-N 3.47Å; D45-R100 IonicContact OD2-NE 2.85Å; D45-Y102 HydrophobicContact CB-CD1 4.1Å; D45-Y102 HydrophobicContact CB-CE1 3.73Å
46Q90.4Very high88Confident45 Ų4545.8 Ų45.821%0.2124%0.242CC..Hα-helixtrans-59.1-43.3-173.2-177.5174.1-18.800112.8I44 F49 E50 F72 L101 H103I44-Q46 PolarHBondContact O-N 2.98Å; Q46-F49 PolarHBondContact O-N 2.96Å; Q46-E50 PolarHBondContact NE2-OE1 2.75Å; Q46-E50 WeakPolarHBondContact O-CG 3.43Å; Q46-E50 PolarHBondContact O-N 2.93Å; Q46-F72 HydrophobicContact CB-CE1 4.49Å; Q46-F72 HydrophobicContact CB-CZ 4.5Å; Q46-F72 HydrophobicContact CG-CD1 3.81Å; Q46-F72 HydrophobicContact CG-CD2 4.31Å; Q46-F72 HydrophobicContact CG-CE1 4.01Å; Q46-F72 HydrophobicContact CG-CG 3.97Å; Q46-F72 HydrophobicContact CG-CZ 4.36Å; Q46-L101 PolarHBondContact N-O 2.83Å; Q46-L101 VanDerWaalsContact OE1-CD2 3.22Å; Q46-H103 PolarHBondContact OE1-NE2 3.35Å
47Q88.8Confident86.8Confident92 Ų9249.2 Ų49.243%0.4326%0.264SS..Hα-helixtrans-70.4-43.8-174.3-69.1-179.8-1.300111.2D45 F49 T51 N99D45-Q47 VanDerWaalsContact C-N 3.33Å; D45-Q47 PolarHBondContact O-N 3.09Å; D45-Q47 PolarHBondContact OD1-N 2.87Å; D45-Q47 VanDerWaalsContact OD1-N 3.12Å; Q47-F49 VanDerWaalsContact C-N 3.32Å; Q47-T51 WeakPolarHBondContact O-CG2 3.39Å; Q47-T51 PolarHBondContact O-N 3.42Å; Q47-T51 PolarHBondContact O-OG1 3.35Å; Q47-N99 PolarHBondContact NE2-O 3.17Å
48L88.9Confident85.6Confident43 Ų4344.7 Ų44.723%0.22523%0.233CC..Hα-helixtrans-67.9-35.2175.6-67.8-179.7000111.5A32 D45 T51 Q52A32-L48 HydrophobicContact CB-CB 3.77Å; D45-L48 HydrophobicContact CB-CB 4.11Å; D45-L48 HydrophobicContact CB-CD1 4.33Å; D45-L48 HydrophobicContact CB-CG 4.43Å; D45-L48 PolarHBondContact O-N 3.19Å; D45-L48 PolarHBondContact OD1-N 3.49Å; D45-L48 VanDerWaalsContact OD1-N 3.16Å; D45-L48 WeakPolarHBondContact OD2-CD1 3.35Å; L48-T51 WeakPolarHBondContact CA-OG1 3.29Å; L48-T51 PolarHBondContact O-N 3.45Å; L48-T51 PolarHBondContact O-OG1 3.34Å; L48-T51 VanDerWaalsContact O-OG1 3.12Å; L48-Q52 VanDerWaalsContact O-CB 3.29Å; L48-Q52 WeakPolarHBondContact O-CB 3.3Å; L48-Q52 WeakPolarHBondContact O-CG 3.31Å; L48-Q52 PolarHBondContact O-N 2.79Å
49F89.8Confident84.2Confident0 Ų043.7 Ų43.70%023%0.229CC..Hα-helixtrans-66.1-43.5179.4-167.6-90.9000112.1L24 A32 I33 I44 D45 Q46 Q47 T51 I53 L54 F72 F75L24-F49 HydrophobicContact CD2-CE2 3.86Å; L24-F49 HydrophobicContact CD2-CZ 4.32Å; A32-F49 HydrophobicContact CB-CB 4.18Å; A32-F49 HydrophobicContact CB-CD2 4.38Å; I33-F49 HydrophobicContact CB-CD2 4.39Å; I33-F49 HydrophobicContact CB-CE2 4.46Å; I33-F49 HydrophobicContact CD1-CE2 4.29Å; I44-F49 HydrophobicContact CG2-CB 3.85Å; I44-F49 HydrophobicContact CG2-CD2 3.58Å; I44-F49 HydrophobicContact CG2-CE2 4.26Å; I44-F49 HydrophobicContact CG2-CG 3.76Å; D45-F49 WeakPolarHBondContact O-CB 3.37Å; D45-F49 PolarHBondContact O-N 3.47Å; Q46-F49 PolarHBondContact O-N 2.96Å; Q47-F49 VanDerWaalsContact C-N 3.32Å; F49-T51 VanDerWaalsContact C-N 3.33Å; F49-T51 PolarHBondContact O-N 3.24Å; F49-I53 HydrophobicContact CD2-CB 4.28Å; F49-I53 HydrophobicContact CD2-CD1 3.44Å; F49-I53 VanDerWaalsContact CD2-CD1 3.44Å; F49-I53 HydrophobicContact CD2-CG1 4.4Å; F49-I53 HydrophobicContact CE1-CG2 4.34Å; F49-I53 HydrophobicContact CE2-CB 4.24Å; F49-I53 HydrophobicContact CE2-CD1 3.55Å; F49-I53 HydrophobicContact CE2-CG1 4.5Å; F49-I53 HydrophobicContact CE2-CG2 3.99Å; F49-I53 HydrophobicContact CG-CB 4.47Å; F49-I53 HydrophobicContact CG-CD1 4.29Å; F49-I53 HydrophobicContact CZ-CB 4.4Å; F49-I53 HydrophobicContact CZ-CD1 4.48Å; F49-I53 HydrophobicContact CZ-CG2 3.87Å; F49-I53 WeakPolarHBondContact O-CB 3.4Å; F49-I53 PolarHBondContact O-N 3.47Å; F49-L54 HydrophobicContact CD1-CD1 3.63Å; F49-L54 HydrophobicContact CD1-CD2 4.36Å; F49-L54 HydrophobicContact CD1-CG 3.7Å; F49-L54 HydrophobicContact CE1-CD1 3.66Å; F49-L54 HydrophobicContact CE1-CD2 3.71Å; F49-L54 HydrophobicContact CE1-CG 3.57Å; F49-L54 HydrophobicContact CZ-CD2 4.48Å; F49-L54 PolarHBondContact O-N 3.35Å; F49-F72 AromaticContact CD1-CD2 3.79Å; F49-F72 HydrophobicContact CD1-CD2 3.79Å; F49-F72 HydrophobicContact CD1-CE2 4.15Å; F49-F72 HydrophobicContact CE1-CD2 4.27Å; F49-F75 HydrophobicContact CE1-CB 4.27Å; F49-F75 AromaticContact CE1-CD1 3.85Å; F49-F75 HydrophobicContact CE1-CD1 3.85Å; F49-F75 AromaticContact CE1-CD2 3.98Å; F49-F75 HydrophobicContact CE1-CD2 3.98Å; F49-F75 HydrophobicContact CE1-CE1 4.16Å; F49-F75 HydrophobicContact CE1-CE2 4.27Å; F49-F75 AromaticContact CE1-CG 3.75Å; F49-F75 HydrophobicContact CE1-CG 3.75Å; F49-F75 HydrophobicContact CE1-CZ 4.35Å; F49-F75 HydrophobicContact CE2-CE1 4.38Å; F49-F75 HydrophobicContact CE2-CE2 4.39Å; F49-F75 HydrophobicContact CE2-CZ 4.12Å; F49-F75 AromaticContact CZ-CD1 3.93Å; F49-F75 HydrophobicContact CZ-CD1 3.93Å; F49-F75 AromaticContact CZ-CD2 3.69Å; F49-F75 HydrophobicContact CZ-CD2 3.69Å; F49-F75 AromaticContact CZ-CE1 3.8Å; F49-F75 HydrophobicContact CZ-CE1 3.8Å; F49-F75 AromaticContact CZ-CE2 3.54Å; F49-F75 HydrophobicContact CZ-CE2 3.54Å; F49-F75 AromaticContact CZ-CG 3.88Å; F49-F75 HydrophobicContact CZ-CG 3.88Å; F49-F75 AromaticContact CZ-CZ 3.59Å; F49-F75 HydrophobicContact CZ-CZ 3.59Å
50E89.3Confident82.3Confident78 Ų7848.2 Ų48.236%0.36426%0.256SS..Hα-helixtrans-63.6-38.7176.6-73.7177.5-170.400112.2Q46 L54 S55 F72Q46-E50 PolarHBondContact NE2-OE1 2.75Å; Q46-E50 WeakPolarHBondContact O-CG 3.43Å; Q46-E50 PolarHBondContact O-N 2.93Å; E50-L54 HydrophobicContact CG-CD1 4.21Å; E50-L54 CarbonylContact O-C 3.56Å; E50-S55 PolarHBondContact O-N 3.02Å; E50-S55 VanDerWaalsContact O-N 3.13Å; E50-F72 HydrophobicContact CG-CB 3.97Å; E50-F72 WeakPolarHBondContact OE1-CB 3.34Å
51T86.3Confident80.5Confident86 Ų8653.6 Ų53.653%0.52828%0.279SS..Hα-helixtrans-82.4-37.7-176.453.50000114Q47 L48 F49 S55Q47-T51 WeakPolarHBondContact O-CG2 3.39Å; Q47-T51 PolarHBondContact O-N 3.42Å; Q47-T51 PolarHBondContact O-OG1 3.35Å; L48-T51 WeakPolarHBondContact CA-OG1 3.29Å; L48-T51 PolarHBondContact O-N 3.45Å; L48-T51 PolarHBondContact O-OG1 3.34Å; L48-T51 VanDerWaalsContact O-OG1 3.12Å; F49-T51 VanDerWaalsContact C-N 3.33Å; F49-T51 PolarHBondContact O-N 3.24Å; T51-S55 WeakPolarHBondContact O-CB 3.48Å; T51-S55 PolarHBondContact O-OG 2.97Å
52Q85.4Confident78.7Confident79 Ų7957.7 Ų57.737%0.36930%0.3SS..Hα-helixtrans-93.2-36.5-175.9-62.8-1778.500113.1L48 S58L48-Q52 VanDerWaalsContact O-CB 3.29Å; L48-Q52 WeakPolarHBondContact O-CB 3.3Å; L48-Q52 WeakPolarHBondContact O-CG 3.31Å; L48-Q52 PolarHBondContact O-N 2.79Å; Q52-S58 WeakPolarHBondContact O-CB 3.43Å; Q52-S58 PolarHBondContact O-OG 2.96Å
53I84Confident76.9Confident5 Ų562.4 Ų62.43%0.02633%0.333CS..THydrogen-bonded Turntrans-108.9-40.7-168.2-63.8168.3000111.8L24 A32 I33 F49 F67L24-I53 HydrophobicContact CD1-CD1 3.92Å; L24-I53 HydrophobicContact CD1-CG1 4.21Å; L24-I53 HydrophobicContact CD1-CG2 4.26Å; L24-I53 HydrophobicContact CD2-CD1 3.88Å; L24-I53 HydrophobicContact CD2-CG2 4.03Å; L24-I53 HydrophobicContact CG-CD1 4.23Å; A32-I53 HydrophobicContact CB-CD1 3.74Å; A32-I53 HydrophobicContact CB-CG1 4.49Å; I33-I53 HydrophobicContact CG2-CD1 4.03Å; F49-I53 HydrophobicContact CD2-CB 4.28Å; F49-I53 HydrophobicContact CD2-CD1 3.44Å; F49-I53 VanDerWaalsContact CD2-CD1 3.44Å; F49-I53 HydrophobicContact CD2-CG1 4.4Å; F49-I53 HydrophobicContact CE1-CG2 4.34Å; F49-I53 HydrophobicContact CE2-CB 4.24Å; F49-I53 HydrophobicContact CE2-CD1 3.55Å; F49-I53 HydrophobicContact CE2-CG1 4.5Å; F49-I53 HydrophobicContact CE2-CG2 3.99Å; F49-I53 HydrophobicContact CG-CB 4.47Å; F49-I53 HydrophobicContact CG-CD1 4.29Å; F49-I53 HydrophobicContact CZ-CB 4.4Å; F49-I53 HydrophobicContact CZ-CD1 4.48Å; F49-I53 HydrophobicContact CZ-CG2 3.87Å; F49-I53 WeakPolarHBondContact O-CB 3.4Å; F49-I53 PolarHBondContact O-N 3.47Å; I53-F67 HydrophobicContact CG2-CD2 4.08Å
54L85.1Confident75.5Confident5 Ų565.5 Ų65.53%0.02635%0.351CS..SBendtrans-92.6-4.4-179.9-56.1179.1000113.4F49 E50 F67 T69 T70 F72F49-L54 HydrophobicContact CD1-CD1 3.63Å; F49-L54 HydrophobicContact CD1-CD2 4.36Å; F49-L54 HydrophobicContact CD1-CG 3.7Å; F49-L54 HydrophobicContact CE1-CD1 3.66Å; F49-L54 HydrophobicContact CE1-CD2 3.71Å; F49-L54 HydrophobicContact CE1-CG 3.57Å; F49-L54 HydrophobicContact CZ-CD2 4.48Å; F49-L54 PolarHBondContact O-N 3.35Å; E50-L54 HydrophobicContact CG-CD1 4.21Å; E50-L54 CarbonylContact O-C 3.56Å; L54-F67 HydrophobicContact CD2-CB 4.24Å; L54-T69 VanDerWaalsContact CD2-O 3.25Å; L54-T69 WeakPolarHBondContact CD2-O 3.33Å; L54-T70 WeakPolarHBondContact O-CA 3.48Å; L54-F72 HydrophobicContact CD1-CB 4.2Å
55S79.8Confident74.2Confident26 Ų2666.9 Ų66.918%0.18236%0.359CS..SBendtrans-68.6142.5-176.666.60000112E50 T51 T57 S58E50-S55 PolarHBondContact O-N 3.02Å; E50-S55 VanDerWaalsContact O-N 3.13Å; T51-S55 WeakPolarHBondContact O-CB 3.48Å; T51-S55 PolarHBondContact O-OG 2.97Å; S55-T57 PolarHBondContact O-N 3.16Å; S55-S58 PolarHBondContact O-N 3.24Å; S55-S58 VanDerWaalsContact O-N 3.16Å; S55-S58 WeakPolarHBondContact OG-CB 3.5Å; S55-S58 PolarHBondContact OG-N 3.04Å
56P68.6Low73.3Confident74 Ų7467.7 Ų67.748%0.48136%0.364SS..THydrogen-bonded Turntrans-55.4-27.8177.1-28.236.1000113.9R59 T70P56-R59 PolarHBondContact O-NE 2.93Å; P56-R59 PolarHBondContact O-NH2 3.21Å; P56-T70 HydrophobicContact CG-CG2 4.41Å
57T65.8Low73Confident104 Ų10466.3 Ų66.364%0.63836%0.358SS*.THydrogen-bonded Turntrans-79.8-30.9-177.5-47.80000112.7S55 R59 T60S55-T57 PolarHBondContact O-N 3.16Å; T57-R59 PolarHBondContact O-N 3.19Å; T57-R59 VanDerWaalsContact O-N 3.14Å; T57-T60 PolarHBondContact O-N 3.43Å; T57-T60 PolarHBondContact O-OG1 3.18Å
58S62.6Low72.6Confident35 Ų3572 Ų7225%0.24538%0.381CS..G310 helixtrans-62.4-21.6178-176.50000113.6Q52 S55 T60 F61Q52-S58 WeakPolarHBondContact O-CB 3.43Å; Q52-S58 PolarHBondContact O-OG 2.96Å; S55-S58 PolarHBondContact O-N 3.24Å; S55-S58 VanDerWaalsContact O-N 3.16Å; S55-S58 WeakPolarHBondContact OG-CB 3.5Å; S55-S58 PolarHBondContact OG-N 3.04Å; S58-T60 PolarHBondContact O-N 3.08Å; S58-F61 PolarHBondContact O-N 3.27Å
59R58.8Low72.4Confident150 Ų15072 Ų7257%0.56638%0.383SS*.G310 helixtrans-61.3-11.9179-67.4-177.8-66.7171.1-0.5114.8P56 T57 T66P56-R59 PolarHBondContact O-NE 2.93Å; P56-R59 PolarHBondContact O-NH2 3.21Å; T57-R59 PolarHBondContact O-N 3.19Å; T57-R59 VanDerWaalsContact O-N 3.14Å; R59-T66 HydrophobicContact CG-CG2 3.85Å
60T51.3Low72.2Confident102 Ų10276.5 Ų76.563%0.62641%0.41SS*.G310 helixtrans-87.4-17.5-176.9540000114.6T57 S58T57-T60 PolarHBondContact O-N 3.43Å; T57-T60 PolarHBondContact O-OG1 3.18Å; S58-T60 PolarHBondContact O-N 3.08Å
61F51.6Low72.2Confident171 Ų17176.6 Ų76.675%0.7541%0.413SS*.THydrogen-bonded Turntrans-106.9-22.4-168.9-68.7-78.6000115.7S58S58-F61 PolarHBondContact O-N 3.27Å
62N55.6Low72.5Confident108 Ų10872.9 Ų72.958%0.57839%0.39SS*.  trans-156.778.8175-92.1-35.4000112.1T64 D65 T66N62-T64 PolarHBondContact O-N 3.45Å; N62-D65 PolarHBondContact O-N 3.48Å; N62-D65 VanDerWaalsContact O-N 3.09Å; N62-T66 PolarHBondContact O-N 3.3Å; N62-T66 PolarHBondContact O-OG1 3.38Å
63S56.9Low72.8Confident100 Ų10073.1 Ų73.170%0.69940%0.4SS*.THydrogen-bonded Turntrans-59-23.3-171.863.90000115.4
64T62.4Low73.3Confident68 Ų6875.2 Ų75.242%0.41742%0.415SS..THydrogen-bonded Turntrans-77.8-26.4-178.8-45.50000111.8K20 R23 N62K20-T64 PolarHBondContact NZ-O 3.35Å; R23-T64 PolarHBondContact NH2-O 3.01Å; N62-T64 PolarHBondContact O-N 3.45Å
65D65.8Low73.7Confident29 Ų2975 Ų7516%0.15541%0.414CS..THydrogen-bonded Turntrans-99.3-20.1-175.3-81.6-56.3000114.7R23 N62R23-D65 WeakPolarHBondContact CD-OD1 3.29Å; R23-D65 WeakPolarHBondContact CG-OD1 3.36Å; R23-D65 IonicContact CZ-OD1 2.64Å; R23-D65 IonicContact CZ-OD2 3.24Å; R23-D65 VanDerWaalsContact NE-CG 3.33Å; R23-D65 IonicContact NE-OD1 2.71Å; R23-D65 PolarHBondContact NE-OD1 2.92Å; R23-D65 IonicContact NE-OD2 2.78Å; R23-D65 PolarHBondContact NE-OD2 2.93Å; R23-D65 IonicContact NH1-OD1 2.88Å; R23-D65 IonicContact NH1-OD2 3.12Å; R23-D65 PolarHBondContact NH1-OD2 2.94Å; R23-D65 IonicContact NH2-OD1 2.67Å; R23-D65 PolarHBondContact NH2-OD1 2.87Å; R23-D65 IonicContact NH2-OD2 3.67Å; R23-D65 PolarHBondContact NH2-OD2 2.89Å; R23-D65 VanDerWaalsContact NH2-OD2 3.12Å; N62-D65 PolarHBondContact O-N 3.48Å; N62-D65 VanDerWaalsContact O-N 3.09Å
66T72.8Confident74.3Confident21 Ų2175.2 Ų75.213%0.12941%0.414CS..  trans-70.2137.7-177-35.20000112R59 N62R59-T66 HydrophobicContact CG-CG2 3.85Å; N62-T66 PolarHBondContact O-N 3.3Å; N62-T66 PolarHBondContact O-OG1 3.38Å
67F82.8Confident75.6Confident17 Ų1779.7 Ų79.78%0.07542%0.421CS..  trans-75.8140.2168.3-66.9-74.6000109.9F17 K20 L21 L24 I53 L54 T69 F75F17-F67 HydrophobicContact CD2-CD1 4.11Å; F17-F67 AromaticContact CD2-CE1 3.43Å; F17-F67 HydrophobicContact CD2-CE1 3.43Å; F17-F67 VanDerWaalsContact CD2-CE1 3.43Å; F17-F67 HydrophobicContact CD2-CZ 4.26Å; F17-F67 HydrophobicContact CE2-CD1 4.25Å; F17-F67 AromaticContact CE2-CE1 3.54Å; F17-F67 HydrophobicContact CE2-CE1 3.54Å; F17-F67 HydrophobicContact CE2-CZ 4.02Å; F17-F67 HydrophobicContact CG-CE1 4.49Å; K20-F67 HydrophobicContact CB-CE1 4.09Å; K20-F67 HydrophobicContact CB-CZ 4.15Å; K20-F67 HydrophobicContact CD-CE1 4.47Å; L21-F67 HydrophobicContact CB-CZ 4.47Å; L24-F67 HydrophobicContact CD2-CD2 4.46Å; L24-F67 HydrophobicContact CD2-CE2 3.63Å; I53-F67 HydrophobicContact CG2-CD2 4.08Å; L54-F67 HydrophobicContact CD2-CB 4.24Å; F67-T69 PolarHBondContact O-N 3.14Å; F67-F75 HydrophobicContact CD2-CD2 4.19Å; F67-F75 HydrophobicContact CD2-CE2 4.23Å; F67-F75 HydrophobicContact CE1-CD2 4.48Å; F67-F75 HydrophobicContact CE1-CE2 4.33Å; F67-F75 HydrophobicContact CE2-CD2 4.1Å; F67-F75 AromaticContact CE2-CE2 3.69Å; F67-F75 HydrophobicContact CE2-CE2 3.69Å; F67-F75 HydrophobicContact CG-CD2 4.41Å; F67-F75 HydrophobicContact CZ-CD2 4.26Å; F67-F75 AromaticContact CZ-CE2 3.76Å; F67-F75 HydrophobicContact CZ-CE2 3.76Å
68K82.1Confident76.9Confident211 Ų21177.1 Ų77.192%0.91740%0.402SS*.SBendtrans-71.6-12.3178.6-65.6-175.6178.5-1760113.3
69T83.7Confident78.4Confident44 Ų4475.4 Ų75.427%0.2739%0.39SS..  trans-88.6141.5-176.853.80000109.9L54 F67L54-T69 VanDerWaalsContact CD2-O 3.25Å; L54-T69 WeakPolarHBondContact CD2-O 3.33Å; F67-T69 PolarHBondContact O-N 3.14Å
70T86.3Confident80.1Confident93 Ų9372.3 Ų72.357%0.57139%0.385SS*.  trans-99.4-5.6171.553.40000112.9L54 P56L54-T70 WeakPolarHBondContact O-CA 3.48Å; P56-T70 HydrophobicContact CG-CG2 4.41Å
71N89.5Confident82.1Confident80 Ų8068.9 Ų68.943%0.42836%0.362SS..  trans-112.2129.8-172.2-179.8-60.6000110.9S73 S74 F75N71-S73 PolarHBondContact O-N 3.16Å; N71-S73 WeakPolarHBondContact OD1-CA 3.47Å; N71-S73 WeakPolarHBondContact OD1-CB 3.49Å; N71-S73 PolarHBondContact OD1-N 3.15Å; N71-S73 PolarHBondContact OD1-OG 3.31Å; N71-S74 WeakPolarHBondContact O-CB 3.29Å; N71-S74 PolarHBondContact O-N 3.34Å; N71-S74 PolarHBondContact OD1-N 3Å; N71-F75 PolarHBondContact O-N 3.27Å
72F91.8Very high84.1Confident9 Ų962 Ų624%0.03933%0.332CS..Hα-helixtrans-61.2-41.4-179.4-177.5-110.9000113.3I44 Q46 F49 E50 L54 S74 F75 V76 H103I44-F72 HydrophobicContact CG2-CE2 3.97Å; Q46-F72 HydrophobicContact CB-CE1 4.49Å; Q46-F72 HydrophobicContact CB-CZ 4.5Å; Q46-F72 HydrophobicContact CG-CD1 3.81Å; Q46-F72 HydrophobicContact CG-CD2 4.31Å; Q46-F72 HydrophobicContact CG-CE1 4.01Å; Q46-F72 HydrophobicContact CG-CG 3.97Å; Q46-F72 HydrophobicContact CG-CZ 4.36Å; F49-F72 AromaticContact CD1-CD2 3.79Å; F49-F72 HydrophobicContact CD1-CD2 3.79Å; F49-F72 HydrophobicContact CD1-CE2 4.15Å; F49-F72 HydrophobicContact CE1-CD2 4.27Å; E50-F72 HydrophobicContact CG-CB 3.97Å; E50-F72 WeakPolarHBondContact OE1-CB 3.34Å; L54-F72 HydrophobicContact CD1-CB 4.2Å; F72-S74 PolarHBondContact O-N 3.2Å; F72-F75 HydrophobicContact CD2-CD1 4.42Å; F72-F75 HydrophobicContact CE2-CD1 4.22Å; F72-F75 CarbonylContact O-C 3.52Å; F72-F75 WeakPolarHBondContact O-CA 3.45Å; F72-F75 VanDerWaalsContact O-CB 3.31Å; F72-F75 WeakPolarHBondContact O-CB 3.05Å; F72-F75 PolarHBondContact O-N 3.16Å; F72-V76 HydrophobicContact CD1-CG2 3.91Å; F72-V76 HydrophobicContact CE1-CG2 3.49Å; F72-V76 VanDerWaalsContact CE1-CG2 3.49Å; F72-V76 HydrophobicContact CE2-CG2 4.18Å; F72-V76 HydrophobicContact CG-CG2 4.41Å; F72-V76 HydrophobicContact CZ-CG2 3.65Å; F72-V76 PolarHBondContact O-N 3.44Å; F72-H103 AromaticContact CE1-CD2 3.67Å; F72-H103 AromaticContact CE1-NE2 3.59Å; F72-H103 HydrophobicContact CZ-CB 4.43Å; F72-H103 AromaticContact CZ-CD2 3.54Å; F72-H103 AromaticContact CZ-CG 3.98Å; F72-H103 AromaticContact CZ-NE2 3.98Å
73S92.3Very high85.9Confident83 Ų8358.2 Ų58.258%0.5832%0.318SS*.Hα-helixtrans-59.6-32.8176.4-49.20000112.7N71 F75 R77N71-S73 PolarHBondContact O-N 3.16Å; N71-S73 WeakPolarHBondContact OD1-CA 3.47Å; N71-S73 WeakPolarHBondContact OD1-CB 3.49Å; N71-S73 PolarHBondContact OD1-N 3.15Å; N71-S73 PolarHBondContact OD1-OG 3.31Å; S73-F75 VanDerWaalsContact C-N 3.33Å; S73-R77 WeakPolarHBondContact O-CB 3.45Å; S73-R77 PolarHBondContact O-N 3.49Å
74S93Very high87.7Confident50 Ų5053.9 Ų53.935%0.3529%0.287SS..Hα-helixtrans-68-35.8174.1-65.70000112.2N71 F72 Q78N71-S74 WeakPolarHBondContact O-CB 3.29Å; N71-S74 PolarHBondContact O-N 3.34Å; N71-S74 PolarHBondContact OD1-N 3Å; F72-S74 PolarHBondContact O-N 3.2Å; S74-Q78 PolarHBondContact O-N 2.91Å
75F93.5Very high89.2Confident1 Ų158.2 Ų58.20%0.00430%0.3CS..Hα-helixtrans-69-46.5174.1172.5-91.7000111.4F17 L21 I44 F49 F67 N71 F72 S73 R77 Q78 L79F17-F75 AromaticContact CE2-CD2 3.87Å; F17-F75 HydrophobicContact CE2-CD2 3.87Å; F17-F75 AromaticContact CE2-CE2 3.77Å; F17-F75 HydrophobicContact CE2-CE2 3.77Å; F17-F75 HydrophobicContact CZ-CD2 4.31Å; F17-F75 AromaticContact CZ-CE2 3.94Å; F17-F75 HydrophobicContact CZ-CE2 3.94Å; F17-F75 HydrophobicContact CZ-CZ 4.41Å; L21-F75 HydrophobicContact CD1-CE2 3.96Å; L21-F75 HydrophobicContact CD1-CZ 3.64Å; I44-F75 HydrophobicContact CD1-CE1 3.51Å; I44-F75 HydrophobicContact CD1-CZ 4.1Å; F49-F75 HydrophobicContact CE1-CB 4.27Å; F49-F75 AromaticContact CE1-CD1 3.85Å; F49-F75 HydrophobicContact CE1-CD1 3.85Å; F49-F75 AromaticContact CE1-CD2 3.98Å; F49-F75 HydrophobicContact CE1-CD2 3.98Å; F49-F75 HydrophobicContact CE1-CE1 4.16Å; F49-F75 HydrophobicContact CE1-CE2 4.27Å; F49-F75 AromaticContact CE1-CG 3.75Å; F49-F75 HydrophobicContact CE1-CG 3.75Å; F49-F75 HydrophobicContact CE1-CZ 4.35Å; F49-F75 HydrophobicContact CE2-CE1 4.38Å; F49-F75 HydrophobicContact CE2-CE2 4.39Å; F49-F75 HydrophobicContact CE2-CZ 4.12Å; F49-F75 AromaticContact CZ-CD1 3.93Å; F49-F75 HydrophobicContact CZ-CD1 3.93Å; F49-F75 AromaticContact CZ-CD2 3.69Å; F49-F75 HydrophobicContact CZ-CD2 3.69Å; F49-F75 AromaticContact CZ-CE1 3.8Å; F49-F75 HydrophobicContact CZ-CE1 3.8Å; F49-F75 AromaticContact CZ-CE2 3.54Å; F49-F75 HydrophobicContact CZ-CE2 3.54Å; F49-F75 AromaticContact CZ-CG 3.88Å; F49-F75 HydrophobicContact CZ-CG 3.88Å; F49-F75 AromaticContact CZ-CZ 3.59Å; F49-F75 HydrophobicContact CZ-CZ 3.59Å; F67-F75 HydrophobicContact CD2-CD2 4.19Å; F67-F75 HydrophobicContact CD2-CE2 4.23Å; F67-F75 HydrophobicContact CE1-CD2 4.48Å; F67-F75 HydrophobicContact CE1-CE2 4.33Å; F67-F75 HydrophobicContact CE2-CD2 4.1Å; F67-F75 AromaticContact CE2-CE2 3.69Å; F67-F75 HydrophobicContact CE2-CE2 3.69Å; F67-F75 HydrophobicContact CG-CD2 4.41Å; F67-F75 HydrophobicContact CZ-CD2 4.26Å; F67-F75 AromaticContact CZ-CE2 3.76Å; F67-F75 HydrophobicContact CZ-CE2 3.76Å; N71-F75 PolarHBondContact O-N 3.27Å; F72-F75 HydrophobicContact CD2-CD1 4.42Å; F72-F75 HydrophobicContact CE2-CD1 4.22Å; F72-F75 CarbonylContact O-C 3.52Å; F72-F75 WeakPolarHBondContact O-CA 3.45Å; F72-F75 VanDerWaalsContact O-CB 3.31Å; F72-F75 WeakPolarHBondContact O-CB 3.05Å; F72-F75 PolarHBondContact O-N 3.16Å; S73-F75 VanDerWaalsContact C-N 3.33Å; F75-R77 VanDerWaalsContact C-N 3.25Å; F75-R77 PolarHBondContact O-N 3.31Å; F75-Q78 WeakPolarHBondContact O-CA 3.27Å; F75-Q78 WeakPolarHBondContact O-CB 3.38Å; F75-Q78 PolarHBondContact O-N 3.17Å; F75-L79 HydrophobicContact CD1-CD1 4.1Å; F75-L79 HydrophobicContact CD1-CG 4.48Å; F75-L79 HydrophobicContact CE1-CD1 3.5Å; F75-L79 HydrophobicContact CE1-CG 3.98Å; F75-L79 HydrophobicContact CZ-CD1 4.16Å; F75-L79 HydrophobicContact CZ-CD2 4.37Å; F75-L79 HydrophobicContact CZ-CG 4.26Å; F75-L79 PolarHBondContact O-N 3.37Å
76V94Very high90.6Very high29 Ų2962.3 Ų62.318%0.17632%0.316CS..Hα-helixtrans-58.7-38.8173.9175.80000111.2F72 Q78 L79 N80 F105F72-V76 HydrophobicContact CD1-CG2 3.91Å; F72-V76 HydrophobicContact CE1-CG2 3.49Å; F72-V76 VanDerWaalsContact CE1-CG2 3.49Å; F72-V76 HydrophobicContact CE2-CG2 4.18Å; F72-V76 HydrophobicContact CG-CG2 4.41Å; F72-V76 HydrophobicContact CZ-CG2 3.65Å; F72-V76 PolarHBondContact O-N 3.44Å; V76-Q78 VanDerWaalsContact C-N 3.29Å; V76-Q78 PolarHBondContact O-N 2.94Å; V76-L79 WeakPolarHBondContact O-CB 3.43Å; V76-L79 PolarHBondContact O-N 3.45Å; V76-L79 VanDerWaalsContact O-N 3.17Å; V76-N80 VanDerWaalsContact O-CG 3.3Å; V76-N80 PolarHBondContact O-N 3.32Å; V76-N80 PolarHBondContact O-ND2 3.35Å; V76-F105 HydrophobicContact CG1-CE1 4.21Å; V76-F105 HydrophobicContact CG1-CZ 4.03Å; V76-F105 HydrophobicContact CG2-CZ 4.07Å
77R94.4Very high91.5Very high168 Ų16864 Ų6463%0.63433%0.326SS*.Hα-helixtrans-60.6-37.8173.5-179.2170.8176.382.4-3.3112.3S73 F75 L81S73-R77 WeakPolarHBondContact O-CB 3.45Å; S73-R77 PolarHBondContact O-N 3.49Å; F75-R77 VanDerWaalsContact C-N 3.25Å; F75-R77 PolarHBondContact O-N 3.31Å; R77-L81 HydrophobicContact CG-CD1 4.3Å; R77-L81 WeakPolarHBondContact O-CB 3.35Å; R77-L81 VanDerWaalsContact O-CG 3.27Å; R77-L81 WeakPolarHBondContact O-CG 3.49Å; R77-L81 PolarHBondContact O-N 2.88Å
78Q93.8Very high91.5Very high50 Ų5068.8 Ų68.823%0.23435%0.353CS..Hα-helixtrans-65.2-45.9173.5-67.1-60.4-41.900111F17 S74 F75 V76 N80 L81 Y82F17-Q78 HydrophobicContact CD1-CB 4.12Å; F17-Q78 HydrophobicContact CD2-CB 3.51Å; F17-Q78 HydrophobicContact CD2-CG 3.9Å; F17-Q78 HydrophobicContact CE1-CB 3.92Å; F17-Q78 HydrophobicContact CE2-CB 3.31Å; F17-Q78 HydrophobicContact CE2-CG 4.02Å; F17-Q78 HydrophobicContact CG-CB 3.93Å; F17-Q78 HydrophobicContact CG-CG 4.48Å; F17-Q78 HydrophobicContact CZ-CB 3.53Å; S74-Q78 PolarHBondContact O-N 2.91Å; F75-Q78 WeakPolarHBondContact O-CA 3.27Å; F75-Q78 WeakPolarHBondContact O-CB 3.38Å; F75-Q78 PolarHBondContact O-N 3.17Å; V76-Q78 VanDerWaalsContact C-N 3.29Å; V76-Q78 PolarHBondContact O-N 2.94Å; Q78-N80 VanDerWaalsContact C-N 3.32Å; Q78-N80 PolarHBondContact O-N 2.73Å; Q78-L81 WeakPolarHBondContact O-CB 3.42Å; Q78-L81 PolarHBondContact O-N 3.12Å; Q78-L81 VanDerWaalsContact O-N 3.08Å; Q78-Y82 VanDerWaalsContact O-CD2 3.25Å; Q78-Y82 WeakPolarHBondContact O-CD2 3.31Å; Q78-Y82 PolarHBondContact O-N 2.64Å
79L94.7Very high91.1Very high0 Ų061.7 Ų61.70%033%0.325CS..Hα-helixtrans-52-51.3174.2-70.2175.3000111.4F17 L21 I42 I44 F75 V76 L81 Y82 G83 F84 F105F17-L79 HydrophobicContact CE1-CD2 3.97Å; F17-L79 HydrophobicContact CE1-CG 4.48Å; F17-L79 HydrophobicContact CZ-CD2 3.81Å; F17-L79 HydrophobicContact CZ-CG 4.03Å; L21-L79 HydrophobicContact CD2-CD2 3.48Å; L21-L79 VanDerWaalsContact CD2-CD2 3.48Å; I42-L79 HydrophobicContact CD1-CD2 4Å; I44-L79 HydrophobicContact CD1-CD1 4.2Å; F75-L79 HydrophobicContact CD1-CD1 4.1Å; F75-L79 HydrophobicContact CD1-CG 4.48Å; F75-L79 HydrophobicContact CE1-CD1 3.5Å; F75-L79 HydrophobicContact CE1-CG 3.98Å; F75-L79 HydrophobicContact CZ-CD1 4.16Å; F75-L79 HydrophobicContact CZ-CD2 4.37Å; F75-L79 HydrophobicContact CZ-CG 4.26Å; F75-L79 PolarHBondContact O-N 3.37Å; V76-L79 WeakPolarHBondContact O-CB 3.43Å; V76-L79 PolarHBondContact O-N 3.45Å; V76-L79 VanDerWaalsContact O-N 3.17Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-L81 PolarHBondContact O-N 2.85Å; L79-Y82 PolarHBondContact O-N 2.67Å; L79-G83 PolarHBondContact O-N 3.06Å; L79-F84 HydrophobicContact CB-CB 3.93Å; L79-F84 HydrophobicContact CB-CD2 4.31Å; L79-F84 HydrophobicContact CB-CG 4.19Å; L79-F84 HydrophobicContact CD2-CB 4.44Å; L79-F84 HydrophobicContact CD2-CD1 4.01Å; L79-F84 HydrophobicContact CD2-CD2 3.91Å; L79-F84 HydrophobicContact CD2-CE1 4.19Å; L79-F84 HydrophobicContact CD2-CE2 4.1Å; L79-F84 HydrophobicContact CD2-CG 3.85Å; L79-F84 HydrophobicContact CD2-CZ 4.23Å; L79-F84 WeakPolarHBondContact O-CB 3.3Å; L79-F84 VanDerWaalsContact O-CD2 3.27Å; L79-F84 WeakPolarHBondContact O-CD2 3.25Å; L79-F84 PolarHBondContact O-N 3.43Å; L79-F84 VanDerWaalsContact O-N 3.16Å; L79-F105 HydrophobicContact CD1-CD1 4.05Å; L79-F105 HydrophobicContact CD1-CD2 3.66Å; L79-F105 HydrophobicContact CD1-CE1 4.13Å; L79-F105 HydrophobicContact CD1-CE2 3.73Å; L79-F105 HydrophobicContact CD1-CG 3.82Å; L79-F105 HydrophobicContact CD1-CZ 3.98Å
80N94.4Very high90.2Very high85 Ų8563.5 Ų63.546%0.45534%0.337SS..Hα-helixtrans-60.8-36.5179.6-66.3-19.2000112.6V76 Q78 Y82 G83V76-N80 VanDerWaalsContact O-CG 3.3Å; V76-N80 PolarHBondContact O-N 3.32Å; V76-N80 PolarHBondContact O-ND2 3.35Å; Q78-N80 VanDerWaalsContact C-N 3.32Å; Q78-N80 PolarHBondContact O-N 2.73Å; N80-Y82 PolarHBondContact O-N 3.22Å; N80-G83 PolarHBondContact O-N 2.78Å; N80-G83 VanDerWaalsContact O-N 3.15Å
81L93.7Very high88.8Confident29 Ų2962 Ų6215%0.15233%0.334CS..Hα-helixtrans-67.8-21.2176.6-76.6170.4000113.4R77 Q78 L79 R123 L124R77-L81 HydrophobicContact CG-CD1 4.3Å; R77-L81 WeakPolarHBondContact O-CB 3.35Å; R77-L81 VanDerWaalsContact O-CG 3.27Å; R77-L81 WeakPolarHBondContact O-CG 3.49Å; R77-L81 PolarHBondContact O-N 2.88Å; Q78-L81 WeakPolarHBondContact O-CB 3.42Å; Q78-L81 PolarHBondContact O-N 3.12Å; Q78-L81 VanDerWaalsContact O-N 3.08Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-L81 PolarHBondContact O-N 2.85Å; L81-R123 HydrophobicContact CB-CG 4.22Å; L81-R123 CarbonylContact O-C 3.58Å; L81-L124 WeakPolarHBondContact O-CB 3.41Å; L81-L124 PolarHBondContact O-N 3.24Å
82Y93.1Very high87.2Confident28 Ų2865.1 Ų65.111%0.1135%0.351CS..THydrogen-bonded Turntrans-99.610.9173.9-72.5-84.3000112.8F17 P18 Q78 L79 N80 N107 L121 R123F17-Y82 HydrophobicContact CB-CD2 4.39Å; F17-Y82 HydrophobicContact CB-CE2 3.64Å; F17-Y82 AromaticContact CD1-CD2 3.38Å; F17-Y82 HydrophobicContact CD1-CD2 3.38Å; F17-Y82 AromaticContact CD1-CE2 3.53Å; F17-Y82 HydrophobicContact CD1-CE2 3.53Å; F17-Y82 HydrophobicContact CD1-CG 4.26Å; F17-Y82 HydrophobicContact CE1-CD2 4.02Å; F17-Y82 HydrophobicContact CG-CD2 4.17Å; F17-Y82 AromaticContact CG-CE2 3.86Å; F17-Y82 HydrophobicContact CG-CE2 3.86Å; P18-Y82 HydrophobicContact CG-CD1 3.48Å; P18-Y82 VanDerWaalsContact CG-CD1 3.48Å; P18-Y82 HydrophobicContact CG-CD2 4.39Å; P18-Y82 HydrophobicContact CG-CE1 3.44Å; P18-Y82 VanDerWaalsContact CG-CE1 3.44Å; P18-Y82 HydrophobicContact CG-CE2 4.4Å; P18-Y82 HydrophobicContact CG-CG 3.98Å; Q78-Y82 VanDerWaalsContact O-CD2 3.25Å; Q78-Y82 WeakPolarHBondContact O-CD2 3.31Å; Q78-Y82 PolarHBondContact O-N 2.64Å; L79-Y82 PolarHBondContact O-N 2.67Å; N80-Y82 PolarHBondContact O-N 3.22Å; Y82-N107 PolarHBondContact O-ND2 3.02Å; Y82-L121 HydrophobicContact CD1-CB 4.31Å; Y82-R123 HydrophobicContact CD1-CB 4.35Å; Y82-R123 HydrophobicContact CE1-CB 3.77Å; Y82-R123 HydrophobicContact CE1-CG 4.48Å; Y82-R123 HydrophobicContact CE2-CB 4.5Å; Y82-R123 HydrophobicContact CE2-CG 4.37Å
83G92.5Very high85.4Confident28 Ų2871.1 Ų71.129%0.28938%0.379SS..THydrogen-bonded Turntrans83.314.4173.700000114.9L79 N80L79-G83 PolarHBondContact O-N 3.06Å; N80-G83 PolarHBondContact O-N 2.78Å; N80-G83 VanDerWaalsContact O-N 3.15Å
84F95.6Very high83.5Confident8 Ų873.6 Ų73.64%0.03538%0.381CS..  trans-65.5140.6168.8-70.7-101.8000110.1L21 I42 L79 F105 H106 N107 F110L21-F84 HydrophobicContact CD2-CE1 4.18Å; L21-F84 HydrophobicContact CD2-CE2 4.16Å; L21-F84 HydrophobicContact CD2-CZ 3.64Å; I42-F84 HydrophobicContact CD1-CD1 4.36Å; I42-F84 HydrophobicContact CD1-CE1 4.11Å; L79-F84 HydrophobicContact CB-CB 3.93Å; L79-F84 HydrophobicContact CB-CD2 4.31Å; L79-F84 HydrophobicContact CB-CG 4.19Å; L79-F84 HydrophobicContact CD2-CB 4.44Å; L79-F84 HydrophobicContact CD2-CD1 4.01Å; L79-F84 HydrophobicContact CD2-CD2 3.91Å; L79-F84 HydrophobicContact CD2-CE1 4.19Å; L79-F84 HydrophobicContact CD2-CE2 4.1Å; L79-F84 HydrophobicContact CD2-CG 3.85Å; L79-F84 HydrophobicContact CD2-CZ 4.23Å; L79-F84 WeakPolarHBondContact O-CB 3.3Å; L79-F84 VanDerWaalsContact O-CD2 3.27Å; L79-F84 WeakPolarHBondContact O-CD2 3.25Å; L79-F84 PolarHBondContact O-N 3.43Å; L79-F84 VanDerWaalsContact O-N 3.16Å; F84-F105 HydrophobicContact CB-CB 4.41Å; F84-F105 HydrophobicContact CD1-CB 4.16Å; F84-H106 WeakPolarHBondContact CA-O 3.34Å; F84-N107 HydrophobicContact CD1-CB 3.68Å; F84-N107 HydrophobicContact CD2-CB 4.32Å; F84-N107 HydrophobicContact CE1-CB 3.8Å; F84-N107 HydrophobicContact CE2-CB 4.43Å; F84-N107 HydrophobicContact CG-CB 3.97Å; F84-N107 HydrophobicContact CZ-CB 4.19Å; F84-F110 HydrophobicContact CE1-CB 3.87Å; F84-F110 AromaticContact CE1-CD1 3.69Å; F84-F110 HydrophobicContact CE1-CD1 3.69Å; F84-F110 HydrophobicContact CE1-CD2 4.38Å; F84-F110 HydrophobicContact CE1-CE1 4.33Å; F84-F110 AromaticContact CE1-CG 3.72Å; F84-F110 HydrophobicContact CE1-CG 3.72Å; F84-F110 HydrophobicContact CZ-CB 3.73Å; F84-F110 AromaticContact CZ-CD1 3.87Å; F84-F110 HydrophobicContact CZ-CD1 3.87Å; F84-F110 AromaticContact CZ-CD2 3.71Å; F84-F110 HydrophobicContact CZ-CD2 3.71Å; F84-F110 HydrophobicContact CZ-CE1 4.41Å; F84-F110 HydrophobicContact CZ-CE2 4.23Å; F84-F110 AromaticContact CZ-CG 3.48Å; F84-F110 HydrophobicContact CZ-CG 3.48Å; F84-F110 VanDerWaalsContact CZ-CG 3.48Å
85K94.5Very high81.5Confident159 Ų15980 Ų8069%0.69141%0.406SS*.EExtended strand (participates in β ladder)trans-115138.4175.4-63.7-175178.7-177.40109.3F105 H106K85-F105 CarbonylContact O-C 3.58Å; K85-F105 WeakPolarHBondContact O-CA 3.47Å; K85-H106 PolarHBondContact N-O 3.2Å; K85-H106 PolarHBondContact O-N 2.95Å
86K93.9Very high79.6Confident116 Ų11689.2 Ų89.250%0.50445%0.448SS..EExtended strand (participates in β ladder)trans-66.4133.7170.1-172.4167.8-179.1-89.90108.4D88 H104 F105K86-D88 IonicContact NZ-OD1 3.76Å; K86-D88 PolarHBondContact NZ-OD1 3.36Å; K86-H104 CarbonylContact C-O 3.28Å; K86-H104 WeakPolarHBondContact CA-O 3.39Å; K86-F105 HydrophobicContact CB-CD1 4.4Å; K86-F105 HydrophobicContact CB-CE1 4.21Å
87V91.5Very high77.8Confident55 Ų5589.3 Ų89.333%0.33345%0.453SS..EExtended strand (participates in β ladder)trans-106.4120.3172.8-1780000106.1L89 H104 H106V87-L89 HydrophobicContact CG1-CD1 4.48Å; V87-H104 HydrophobicContact CB-CB 4.17Å; V87-H104 PolarHBondContact N-O 3.36Å; V87-H104 WeakPolarHBondContact O-CB 3.4Å; V87-H106 HydrophobicContact CG2-CB 3.51Å
88D83.5Confident75.9Confident118 Ų11884.3 Ų84.363%0.63145%0.453SS*.PPolyproline II helixtrans-86.6125.9172.1-59.1-45.3000107.3K86K86-D88 IonicContact NZ-OD1 3.76Å; K86-D88 PolarHBondContact NZ-OD1 3.36Å
89L74.2Confident74.3Confident63 Ų6388.8 Ų88.833%0.3348%0.478SS..PPolyproline II helixtrans-83.9150173.6-83.875.8000108.6V87 A91 H104V87-L89 HydrophobicContact CG1-CD1 4.48Å; L89-A91 PolarHBondContact O-N 3.2Å; L89-H104 HydrophobicContact CD1-CB 3.8Å; L89-H104 WeakPolarHBondContact CD1-CD2 3.47Å; L89-H104 WeakPolarHBondContact CD1-ND1 3.49Å
90P63Low73.2Confident81 Ų8194.6 Ų94.653%0.52650%0.501SS..PPolyproline II helixtrans-58.2139.5172.122.5-29.6000110.2D92 H93P90-D92 PolarHBondContact O-N 2.92Å; P90-H93 PolarHBondContact O-N 2.79Å
91A58.5Low72.8Confident63 Ų6395 Ų9552%0.52150%0.502SS..G310 helixtrans-55.9-19.9-171.100000114.4L89 H93 E94L89-A91 PolarHBondContact O-N 3.2Å; A91-H93 PolarHBondContact O-N 2.9Å; A91-E94 PolarHBondContact O-N 2.87Å
92D54.4Low72.5Confident145 Ų14597.1 Ų97.178%0.77551%0.509SS*.G310 helixtrans-61.9-12.9179.2-53.2-16.3000113.7P90P90-D92 PolarHBondContact O-N 2.92Å
93H54.2Low72.4Confident134 Ų13497 Ų9762%0.6251%0.509SS*.G310 helixtrans-106.1-2.2175.3-65.7-59.5000114.3P90 A91P90-H93 PolarHBondContact O-N 2.79Å; A91-H93 PolarHBondContact O-N 2.9Å
94E53.9Low72.5Confident135 Ų13597.2 Ų97.263%0.63150%0.503SS*.THydrogen-bonded Turntrans-86.4-24.2-178.9-65.8-161157.100112.7A91 E96 A97A91-E94 PolarHBondContact O-N 2.87Å; E94-E96 PolarHBondContact O-N 3.34Å; E94-A97 PolarHBondContact O-N 3.16Å
95E49.9Very low72.5Confident186 Ų18697 Ų9787%0.86950%0.502SS*.THydrogen-bonded Turntrans-70.6-24.1-172.9-65.6-166.2163.600114.5
96E53.5Low72.5Confident193 Ų19392.6 Ų92.690%0.90248%0.483SS*.THydrogen-bonded Turntrans-86.2-12.6176.5-85.5-177.3152.300113.8E94 G98E94-E96 PolarHBondContact O-N 3.34Å; E96-G98 VanDerWaalsContact C-N 3.29Å; E96-G98 PolarHBondContact O-N 3.23Å
97A55.6Low72.5Confident32 Ų3287.4 Ų87.426%0.26446%0.461SS..SBendtrans-88.262.5-175.700000111.4E94 N99 R100 Y102E94-A97 PolarHBondContact O-N 3.16Å; A97-N99 PolarHBondContact O-N 3.04Å; A97-R100 PolarHBondContact O-N 3.08Å; A97-Y102 HydrophobicContact CB-CD2 4.03Å; A97-Y102 HydrophobicContact CB-CE2 3.98Å
98G54.5Low72.5Confident62 Ų6288.4 Ų88.464%0.63947%0.468SS*.THydrogen-bonded Turntrans-41.1114.7178.100000112.8E96 R100E96-G98 VanDerWaalsContact C-N 3.29Å; E96-G98 PolarHBondContact O-N 3.23Å; G98-R100 PolarHBondContact O-N 3.04Å
99N61.3Low72.8Confident144 Ų14485.2 Ų85.277%0.7745%0.452SS*.THydrogen-bonded Turntrans48.98.4176.7-155.242000117.5Q47 A97Q47-N99 PolarHBondContact NE2-O 3.17Å; A97-N99 PolarHBondContact O-N 3.04Å
100R71.8Confident73.7Confident123 Ų12382.3 Ų82.346%0.46444%0.436SS..  trans-104.3115.2-176-79-173.2165.9173.7-4.6109.7D45 A97 G98 Y102D45-R100 IonicContact OD2-NE 2.85Å; A97-R100 PolarHBondContact O-N 3.08Å; G98-R100 PolarHBondContact O-N 3.04Å; R100-Y102 HydrophobicContact CB-CD2 4.41Å; R100-Y102 HydrophobicContact CB-CE2 3.79Å; R100-Y102 WeakPolarHBondContact CD-OH 3.48Å; R100-Y102 PolarHBondContact O-N 3.45Å
101L84.8Confident75Confident94 Ų9480.7 Ų80.749%0.49242%0.422SS..  trans-88.1103.8-178.2-173.159.7000110.3Q46Q46-L101 PolarHBondContact N-O 2.83Å; Q46-L101 VanDerWaalsContact OE1-CD2 3.22Å
102Y88.9Confident76.4Confident73 Ų7384.7 Ų84.729%0.28642%0.423SS..EExtended strand (participates in β ladder)trans-92.3129.1176.6-69.1-74000111.7V43 I44 D45 A97 R100V43-Y102 HydrophobicContact CG1-CD1 4.04Å; I44-Y102 CarbonylContact O-C 3.59Å; I44-Y102 WeakPolarHBondContact O-CA 3.46Å; D45-Y102 HydrophobicContact CB-CD1 4.1Å; D45-Y102 HydrophobicContact CB-CE1 3.73Å; A97-Y102 HydrophobicContact CB-CD2 4.03Å; A97-Y102 HydrophobicContact CB-CE2 3.98Å; R100-Y102 HydrophobicContact CB-CD2 4.41Å; R100-Y102 HydrophobicContact CB-CE2 3.79Å; R100-Y102 WeakPolarHBondContact CD-OH 3.48Å; R100-Y102 PolarHBondContact O-N 3.45Å
103H91.6Very high77.9Confident24 Ų2482.2 Ų82.211%0.11142%0.417CS..EExtended strand (participates in β ladder)trans-110.8129.4174.8-61-89.5000110.7V43 I44 Q46 F72 F105V43-H103 WeakPolarHBondContact CA-O 3.05Å; I44-H103 PolarHBondContact N-O 2.97Å; I44-H103 PolarHBondContact O-N 2.92Å; Q46-H103 PolarHBondContact OE1-NE2 3.35Å; F72-H103 AromaticContact CE1-CD2 3.67Å; F72-H103 AromaticContact CE1-NE2 3.59Å; F72-H103 HydrophobicContact CZ-CB 4.43Å; F72-H103 AromaticContact CZ-CD2 3.54Å; F72-H103 AromaticContact CZ-CG 3.98Å; F72-H103 AromaticContact CZ-NE2 3.98Å; H103-F105 HydrophobicContact CB-CD2 4.27Å; H103-F105 HydrophobicContact CB-CE2 3.53Å; H103-F105 HydrophobicContact CB-CZ 4.16Å
104H93.4Very high79.3Confident34 Ų3477.4 Ų77.416%0.15740%0.399CS..EExtended strand (participates in β ladder)trans-109.5127.8-179.4-60.176.1000109.6V41 I42 K86 V87 L89V41-H104 HydrophobicContact CG1-CB 4Å; I42-H104 WeakPolarHBondContact O-CA 3.2Å; K86-H104 CarbonylContact C-O 3.28Å; K86-H104 WeakPolarHBondContact CA-O 3.39Å; V87-H104 HydrophobicContact CB-CB 4.17Å; V87-H104 PolarHBondContact N-O 3.36Å; V87-H104 WeakPolarHBondContact O-CB 3.4Å; L89-H104 HydrophobicContact CD1-CB 3.8Å; L89-H104 WeakPolarHBondContact CD1-CD2 3.47Å; L89-H104 WeakPolarHBondContact CD1-ND1 3.49Å
105F95.2Very high80.6Confident4 Ų472.4 Ų72.42%0.01838%0.377CS..EExtended strand (participates in β ladder)trans-128.3134.9178.9-63.1-86.8000111.5V41 I42 I44 V76 L79 F84 K85 K86 H103V41-F105 WeakPolarHBondContact CA-O 3.08Å; V41-F105 WeakPolarHBondContact CG1-O 3.48Å; I42-F105 HydrophobicContact CD1-CB 4.14Å; I42-F105 HydrophobicContact CG1-CB 3.74Å; I42-F105 WeakPolarHBondContact CG1-O 3.39Å; I42-F105 PolarHBondContact N-O 2.83Å; I42-F105 PolarHBondContact O-N 3.17Å; I44-F105 HydrophobicContact CD1-CD2 3.94Å; I44-F105 HydrophobicContact CD1-CE2 4.08Å; I44-F105 HydrophobicContact CG1-CD2 4.46Å; V76-F105 HydrophobicContact CG1-CE1 4.21Å; V76-F105 HydrophobicContact CG1-CZ 4.03Å; V76-F105 HydrophobicContact CG2-CZ 4.07Å; L79-F105 HydrophobicContact CD1-CD1 4.05Å; L79-F105 HydrophobicContact CD1-CD2 3.66Å; L79-F105 HydrophobicContact CD1-CE1 4.13Å; L79-F105 HydrophobicContact CD1-CE2 3.73Å; L79-F105 HydrophobicContact CD1-CG 3.82Å; L79-F105 HydrophobicContact CD1-CZ 3.98Å; F84-F105 HydrophobicContact CB-CB 4.41Å; F84-F105 HydrophobicContact CD1-CB 4.16Å; K85-F105 CarbonylContact O-C 3.58Å; K85-F105 WeakPolarHBondContact O-CA 3.47Å; K86-F105 HydrophobicContact CB-CD1 4.4Å; K86-F105 HydrophobicContact CB-CE1 4.21Å; H103-F105 HydrophobicContact CB-CD2 4.27Å; H103-F105 HydrophobicContact CB-CE2 3.53Å; H103-F105 HydrophobicContact CB-CZ 4.16Å
106H94.8Very high82.2Confident65 Ų6568.9 Ų68.930%0.30136%0.361SS..EExtended strand (participates in β ladder)trans-121.7141.4179.9173.8-104.5000111.4Q40 V41 F84 K85 V87Q40-H106 PolarHBondContact O-CD2 3.39Å; V41-H106 HydrophobicContact CG2-CB 4.21Å; F84-H106 WeakPolarHBondContact CA-O 3.34Å; K85-H106 PolarHBondContact N-O 3.2Å; K85-H106 PolarHBondContact O-N 2.95Å; V87-H106 HydrophobicContact CG2-CB 3.51Å
107N94.3Very high83.7Confident8 Ų861.6 Ų61.64%0.04333%0.328CS..  trans-149.4127168.4-173.1-37.1000109.3Y82 F84 N109 F110 L121Y82-N107 PolarHBondContact O-ND2 3.02Å; F84-N107 HydrophobicContact CD1-CB 3.68Å; F84-N107 HydrophobicContact CD2-CB 4.32Å; F84-N107 HydrophobicContact CE1-CB 3.8Å; F84-N107 HydrophobicContact CE2-CB 4.43Å; F84-N107 HydrophobicContact CG-CB 3.97Å; F84-N107 HydrophobicContact CZ-CB 4.19Å; N107-N109 PolarHBondContact O-N 3.09Å; N107-N109 VanDerWaalsContact O-N 3.14Å; N107-N109 PolarHBondContact OD1-N 3.05Å; N107-F110 HydrophobicContact CB-CB 3.95Å; N107-F110 PolarHBondContact O-N 3.04Å; N107-L121 WeakPolarHBondContact ND2-CD2 3.09Å
108P91.2Very high85.1Confident75 Ų7560.4 Ų60.449%0.48732%0.317SS..THydrogen-bonded Turntrans-60.4-27.5-17825.1-35.7000113.4F110 Q111P108-F110 VanDerWaalsContact C-N 3.3Å; P108-Q111 PolarHBondContact O-NE2 3.02Å
109N90.6Very high86.5Confident52 Ų5261.7 Ų61.728%0.27831%0.307SS..THydrogen-bonded Turntrans-88.56179.2-64.4-34.8000113.2N107 L117 N120 L121N107-N109 PolarHBondContact O-N 3.09Å; N107-N109 VanDerWaalsContact O-N 3.14Å; N107-N109 PolarHBondContact OD1-N 3.05Å; N109-L117 HydrophobicContact CB-CB 4.39Å; N109-L117 CarbonylContact O-C 3.6Å; N109-L117 VanDerWaalsContact O-C 3.28Å; N109-L117 VanDerWaalsContact O-CB 3.26Å; N109-L117 WeakPolarHBondContact O-CB 3.33Å; N109-N120 HydrophobicContact CB-CB 4.29Å; N109-L121 HydrophobicContact CB-CD2 3.9Å; N109-L121 HydrophobicContact CB-CG 4.03Å
110F91.6Very high87.6Confident2 Ų258.7 Ų58.71%0.00929%0.291CS..  trans-127.595-179.3-166.9-95.3000110.2L21 W22 V25 W35 I42 F84 N107 P108 L118 L121L21-F110 HydrophobicContact CB-CE2 4.4Å; L21-F110 HydrophobicContact CB-CZ 4.3Å; L21-F110 HydrophobicContact CD2-CE1 4.34Å; L21-F110 HydrophobicContact CD2-CE2 4.02Å; L21-F110 HydrophobicContact CD2-CZ 3.82Å; L21-F110 HydrophobicContact CG-CE1 4.42Å; L21-F110 HydrophobicContact CG-CE2 4.14Å; L21-F110 HydrophobicContact CG-CZ 3.68Å; W22-F110 HydrophobicContact CB-CE2 3.75Å; W22-F110 HydrophobicContact CB-CZ 3.91Å; W22-F110 HydrophobicContact CG-CE2 4.36Å; W22-F110 HydrophobicContact CG-CZ 4.44Å; V25-F110 HydrophobicContact CG2-CE1 4.45Å; V25-F110 HydrophobicContact CG2-CZ 4.41Å; W35-F110 AromaticContact CH2-CD1 3.38Å; W35-F110 HydrophobicContact CH2-CD1 3.38Å; W35-F110 AromaticContact CH2-CE1 3.18Å; W35-F110 HydrophobicContact CH2-CE1 3.18Å; W35-F110 HydrophobicContact CH2-CG 4.36Å; W35-F110 HydrophobicContact CH2-CZ 4.08Å; W35-F110 HydrophobicContact CZ2-CD1 4.38Å; W35-F110 AromaticContact CZ2-CE1 3.78Å; W35-F110 HydrophobicContact CZ2-CE1 3.78Å; W35-F110 HydrophobicContact CZ2-CZ 4.35Å; W35-F110 AromaticContact CZ3-CD1 3.81Å; W35-F110 HydrophobicContact CZ3-CD1 3.81Å; W35-F110 AromaticContact CZ3-CE1 3.86Å; W35-F110 HydrophobicContact CZ3-CE1 3.86Å; I42-F110 HydrophobicContact CG2-CD1 4.07Å; I42-F110 HydrophobicContact CG2-CE1 3.58Å; F84-F110 HydrophobicContact CE1-CB 3.87Å; F84-F110 AromaticContact CE1-CD1 3.69Å; F84-F110 HydrophobicContact CE1-CD1 3.69Å; F84-F110 HydrophobicContact CE1-CD2 4.38Å; F84-F110 HydrophobicContact CE1-CE1 4.33Å; F84-F110 AromaticContact CE1-CG 3.72Å; F84-F110 HydrophobicContact CE1-CG 3.72Å; F84-F110 HydrophobicContact CZ-CB 3.73Å; F84-F110 AromaticContact CZ-CD1 3.87Å; F84-F110 HydrophobicContact CZ-CD1 3.87Å; F84-F110 AromaticContact CZ-CD2 3.71Å; F84-F110 HydrophobicContact CZ-CD2 3.71Å; F84-F110 HydrophobicContact CZ-CE1 4.41Å; F84-F110 HydrophobicContact CZ-CE2 4.23Å; F84-F110 AromaticContact CZ-CG 3.48Å; F84-F110 HydrophobicContact CZ-CG 3.48Å; F84-F110 VanDerWaalsContact CZ-CG 3.48Å; N107-F110 HydrophobicContact CB-CB 3.95Å; N107-F110 PolarHBondContact O-N 3.04Å; P108-F110 VanDerWaalsContact C-N 3.3Å; F110-L118 HydrophobicContact CD2-CG 4.48Å; F110-L121 HydrophobicContact CB-CD1 4.11Å; F110-L121 HydrophobicContact CD2-CD1 3.65Å; F110-L121 HydrophobicContact CG-CD1 4.36Å
111Q90.9Very high88.4Confident46 Ų4653 Ų5322%0.21527%0.269CS..  trans-133.2149-176.4-59.8178.922.400110.8G39 P108 C114 L117G39-Q111 WeakPolarHBondContact O-CA 3.41Å; P108-Q111 PolarHBondContact O-NE2 3.02Å; Q111-C114 HydrophobicContact CB-CB 4.18Å; Q111-L117 HydrophobicContact CG-CD1 4.35Å
112R89Confident88.5Confident148 Ų14849.5 Ų49.556%0.55825%0.252SS*.SBendtrans-62.6-45.9-179.9-172.2179.3179.3-175.5-2.5112.3W35 G39W35-R112 HydrophobicContact CD2-CB 3.8Å; W35-R112 HydrophobicContact CD2-CG 4.32Å; W35-R112 HydrophobicContact CE3-CB 4.25Å; W35-R112 HydrophobicContact CG-CB 4.14Å; W35-R112 HydrophobicContact CG-CG 4.27Å; W35-R112 HydrophobicContact CH2-CB 4.37Å; W35-R112 HydrophobicContact CZ2-CB 3.98Å; G39-R112 PolarHBondContact O-N 3.23Å
113S84.9Confident88.6Confident93 Ų9350.1 Ų50.165%0.6525%0.254SS*.SBendtrans-83.4-17.5-175.356.60000114.2P115S113-P115 VanDerWaalsContact O-CD 3.26Å; S113-P115 WeakPolarHBondContact O-CD 3.38Å
114C84.4Confident88.6Confident33 Ų3351.3 Ų51.322%0.22326%0.26CS..  trans-124.266.9-171.3-64.90000111.2Q111 Q116 L117Q111-C114 HydrophobicContact CB-CB 4.18Å; C114-Q116 VanDerWaalsContact C-N 3.26Å; C114-Q116 PolarHBondContact O-N 2.97Å; C114-L117 HydrophobicContact CB-CD1 3.63Å; C114-L117 HydrophobicContact CB-CG 4.03Å; C114-L117 WeakPolarHBondContact O-CB 3.38Å; C114-L117 WeakPolarHBondContact O-CG 3.39Å; C114-L117 PolarHBondContact O-N 2.71Å
115P81.4Confident88.4Confident29 Ų2951 Ų5119%0.18826%0.261CS..G310 helixtrans-65-24.5-178.833.5-46.5000115.2F7 W22 S113 L117 L118F7-P115 HydrophobicContact CD1-CB 4.23Å; F7-P115 HydrophobicContact CD1-CG 4.41Å; F7-P115 HydrophobicContact CE1-CB 3.13Å; F7-P115 HydrophobicContact CE1-CG 3.16Å; F7-P115 HydrophobicContact CZ-CB 3.61Å; F7-P115 HydrophobicContact CZ-CG 3.34Å; W22-P115 HydrophobicContact CZ2-CB 4.13Å; S113-P115 VanDerWaalsContact O-CD 3.26Å; S113-P115 WeakPolarHBondContact O-CD 3.38Å; P115-L117 PolarHBondContact O-N 2.93Å; P115-L117 VanDerWaalsContact O-N 3.16Å; P115-L118 HydrophobicContact CB-CD1 4.36Å; P115-L118 VanDerWaalsContact O-CB 3.3Å; P115-L118 WeakPolarHBondContact O-CB 3.35Å; P115-L118 WeakPolarHBondContact O-CD1 3.44Å; P115-L118 PolarHBondContact O-N 3.5Å
116Q82.4Confident88.1Confident112 Ų11256.7 Ų56.752%0.52330%0.296SS..G310 helixtrans-58.3-28.9177.859.3-8418.900111C114 L118 E119C114-Q116 VanDerWaalsContact C-N 3.26Å; C114-Q116 PolarHBondContact O-N 2.97Å; Q116-L118 PolarHBondContact O-N 3.42Å; Q116-L118 VanDerWaalsContact O-N 3.13Å; Q116-E119 WeakPolarHBondContact O-CG 3.48Å; Q116-E119 PolarHBondContact O-N 3.49Å
117L85.4Confident87.8Confident41 Ų4158.8 Ų58.822%0.21531%0.309CS..G310 helixtrans-64.7-17.1177.5-60.4176.1000113.5N109 Q111 C114 P115 E119 N120N109-L117 HydrophobicContact CB-CB 4.39Å; N109-L117 CarbonylContact O-C 3.6Å; N109-L117 VanDerWaalsContact O-C 3.28Å; N109-L117 VanDerWaalsContact O-CB 3.26Å; N109-L117 WeakPolarHBondContact O-CB 3.33Å; Q111-L117 HydrophobicContact CG-CD1 4.35Å; C114-L117 HydrophobicContact CB-CD1 3.63Å; C114-L117 HydrophobicContact CB-CG 4.03Å; C114-L117 WeakPolarHBondContact O-CB 3.38Å; C114-L117 WeakPolarHBondContact O-CG 3.39Å; C114-L117 PolarHBondContact O-N 2.71Å; P115-L117 PolarHBondContact O-N 2.93Å; P115-L117 VanDerWaalsContact O-N 3.16Å; L117-E119 PolarHBondContact O-N 2.86Å; L117-E119 VanDerWaalsContact O-N 3.14Å; L117-N120 WeakPolarHBondContact O-CB 3.38Å; L117-N120 PolarHBondContact O-N 2.84Å
118L85.8Confident87.5Confident7 Ų760 Ų604%0.03732%0.316CS..G310 helixtrans-59.2-25.4174.9-85.382.5000112.2I12 P18 W22 F110 P115 Q116 N120 L121I12-L118 HydrophobicContact CD1-CB 3.43Å; I12-L118 VanDerWaalsContact CD1-CB 3.43Å; P18-L118 HydrophobicContact CB-CD2 4.4Å; W22-L118 HydrophobicContact CB-CD1 4.48Å; W22-L118 HydrophobicContact CB-CD2 3.72Å; W22-L118 HydrophobicContact CG-CD1 4Å; W22-L118 HydrophobicContact CG-CD2 4.01Å; F110-L118 HydrophobicContact CD2-CG 4.48Å; P115-L118 HydrophobicContact CB-CD1 4.36Å; P115-L118 VanDerWaalsContact O-CB 3.3Å; P115-L118 WeakPolarHBondContact O-CB 3.35Å; P115-L118 WeakPolarHBondContact O-CD1 3.44Å; P115-L118 PolarHBondContact O-N 3.5Å; Q116-L118 PolarHBondContact O-N 3.42Å; Q116-L118 VanDerWaalsContact O-N 3.13Å; L118-N120 PolarHBondContact O-N 2.89Å; L118-L121 HydrophobicContact CG-CD1 4.23Å; L118-L121 WeakPolarHBondContact O-CB 3.36Å; L118-L121 PolarHBondContact O-N 3.02Å; L118-L121 VanDerWaalsContact O-N 3.09Å
119E83.2Confident87.2Confident89 Ų8961.8 Ų61.842%0.41632%0.316SS..G310 helixtrans-65.2-24.7178.177.8-166.5160.900112.2I12 Q116 L117 L121 S140I12-E119 HydrophobicContact CD1-CB 4.01Å; I12-E119 VanDerWaalsContact CD1-N 3.32Å; I12-E119 HydrophobicContact CG1-CB 4.33Å; Q116-E119 WeakPolarHBondContact O-CG 3.48Å; Q116-E119 PolarHBondContact O-N 3.49Å; L117-E119 PolarHBondContact O-N 2.86Å; L117-E119 VanDerWaalsContact O-N 3.14Å; E119-L121 VanDerWaalsContact C-N 3.32Å; E119-S140 WeakPolarHBondContact O-CB 3.27Å; E119-S140 PolarHBondContact O-OG 2.88Å
120N84.9Confident87.2Confident81 Ų8162 Ų6243%0.43333%0.325SS..G310 helixtrans-84.2-6.4177.5-58.9-38.6000112.7N109 L117 L118 V122N109-N120 HydrophobicContact CB-CB 4.29Å; L117-N120 WeakPolarHBondContact O-CB 3.38Å; L117-N120 PolarHBondContact O-N 2.84Å; L118-N120 PolarHBondContact O-N 2.89Å; N120-V122 PolarHBondContact O-N 3.3Å
121L88.3Confident86.9Confident3 Ų365.7 Ų65.72%0.01634%0.341CS..  trans-80.188.6178-71.7169.4000111P18 Y82 N107 N109 F110 L118 E119P18-L121 HydrophobicContact CB-CB 4.11Å; P18-L121 HydrophobicContact CB-CD1 3.86Å; P18-L121 HydrophobicContact CG-CB 3.88Å; P18-L121 HydrophobicContact CG-CD1 4.36Å; Y82-L121 HydrophobicContact CD1-CB 4.31Å; N107-L121 WeakPolarHBondContact ND2-CD2 3.09Å; N109-L121 HydrophobicContact CB-CD2 3.9Å; N109-L121 HydrophobicContact CB-CG 4.03Å; F110-L121 HydrophobicContact CB-CD1 4.11Å; F110-L121 HydrophobicContact CD2-CD1 3.65Å; F110-L121 HydrophobicContact CG-CD1 4.36Å; L118-L121 HydrophobicContact CG-CD1 4.23Å; L118-L121 WeakPolarHBondContact O-CB 3.36Å; L118-L121 PolarHBondContact O-N 3.02Å; L118-L121 VanDerWaalsContact O-N 3.09Å; E119-L121 VanDerWaalsContact C-N 3.32Å
122V87.4Confident86.7Confident21 Ų2167.6 Ų67.613%0.12735%0.352CS..  trans-93.4137.9176.1179.10000110.5N120 L124 I138N120-V122 PolarHBondContact O-N 3.3Å; V122-L124 PolarHBondContact O-N 2.95Å; V122-I138 HydrophobicContact CG1-CB 3.9Å; V122-I138 HydrophobicContact CG1-CD1 4.33Å; V122-I138 HydrophobicContact CG1-CG2 3.41Å; V122-I138 VanDerWaalsContact CG1-CG2 3.41Å; V122-I138 HydrophobicContact CG2-CB 4.31Å; V122-I138 HydrophobicContact CG2-CG2 4.36Å; V122-I138 WeakPolarHBondContact CG2-O 3.49Å
123R90.9Very high86.6Confident86 Ų8669.4 Ų69.433%0.32536%0.364SS..  trans-69.1121.6173.1-168.7-179.6178.51792110.6L81 Y82 T125 N128L81-R123 HydrophobicContact CB-CG 4.22Å; L81-R123 CarbonylContact O-C 3.58Å; Y82-R123 HydrophobicContact CD1-CB 4.35Å; Y82-R123 HydrophobicContact CE1-CB 3.77Å; Y82-R123 HydrophobicContact CE1-CG 4.48Å; Y82-R123 HydrophobicContact CE2-CB 4.5Å; Y82-R123 HydrophobicContact CE2-CG 4.37Å; R123-T125 VanDerWaalsContact C-N 3.32Å; R123-T125 HydrophobicContact CG-CG2 4.15Å; R123-T125 PolarHBondContact O-N 3.4Å; R123-N128 VanDerWaalsContact O-CB 3.29Å; R123-N128 WeakPolarHBondContact O-CB 3.41Å; R123-N128 PolarHBondContact O-ND2 3.21Å
124L90.2Very high86.9Confident48 Ų4868.9 Ų68.925%0.25137%0.365SS..  trans-84.261.8-176.5-57.7176.6000112.8L81 V122 K129 L132L81-L124 WeakPolarHBondContact O-CB 3.41Å; L81-L124 PolarHBondContact O-N 3.24Å; V122-L124 PolarHBondContact O-N 2.95Å; L124-K129 HydrophobicContact CB-CG 4.19Å; L124-K129 WeakPolarHBondContact O-CE 3.48Å; L124-L132 HydrophobicContact CD2-CD1 3.79Å
125T90.3Very high87Confident27 Ų2770.7 Ų70.717%0.16639%0.389CS..  trans-70.7166.3168.360.40000111.3R123 D127 N128 K129R123-T125 VanDerWaalsContact C-N 3.32Å; R123-T125 HydrophobicContact CG-CG2 4.15Å; R123-T125 PolarHBondContact O-N 3.4Å; T125-D127 VanDerWaalsContact C-N 3.29Å; T125-D127 PolarHBondContact O-N 3.33Å; T125-N128 PolarHBondContact O-N 3.18Å; T125-N128 VanDerWaalsContact O-N 3.16Å; T125-N128 WeakPolarHBondContact OG1-CB 3.39Å; T125-N128 VanDerWaalsContact OG1-CG 3.26Å; T125-N128 PolarHBondContact OG1-N 2.76Å; T125-K129 WeakPolarHBondContact O-CB 3.33Å; T125-K129 WeakPolarHBondContact O-CG 3.11Å; T125-K129 PolarHBondContact O-N 3.38Å
126V89.1Confident87Confident124 Ų12474.3 Ų74.375%0.75240%0.404SS*.Hα-helixtrans-53.9-48.1176.6179.70000110.9N128 K129 A130V126-N128 PolarHBondContact O-N 3.26Å; V126-K129 PolarHBondContact O-N 3Å; V126-A130 PolarHBondContact O-N 3.38Å
127D87.4Confident86.8Confident109 Ų10976 Ų7658%0.58342%0.417SS*.Hα-helixtrans-61.3-44.7177.7-52.5-35.3000111.9T125 A130 K131T125-D127 VanDerWaalsContact C-N 3.29Å; T125-D127 PolarHBondContact O-N 3.33Å; D127-A130 WeakPolarHBondContact O-CB 3.25Å; D127-A130 PolarHBondContact O-N 3.14Å; D127-K131 WeakPolarHBondContact O-CG 3.31Å; D127-K131 PolarHBondContact O-N 2.97Å
128N87.9Confident86.3Confident34 Ų3475.1 Ų75.118%0.18241%0.412CS..Hα-helixtrans-69.4-37.2-179.2-72.8-0.2000111.4R123 T125 V126 A130 K131 L132 I138R123-N128 VanDerWaalsContact O-CB 3.29Å; R123-N128 WeakPolarHBondContact O-CB 3.41Å; R123-N128 PolarHBondContact O-ND2 3.21Å; T125-N128 PolarHBondContact O-N 3.18Å; T125-N128 VanDerWaalsContact O-N 3.16Å; T125-N128 WeakPolarHBondContact OG1-CB 3.39Å; T125-N128 VanDerWaalsContact OG1-CG 3.26Å; T125-N128 PolarHBondContact OG1-N 2.76Å; V126-N128 PolarHBondContact O-N 3.26Å; N128-A130 VanDerWaalsContact C-N 3.31Å; N128-A130 PolarHBondContact O-N 3.08Å; N128-K131 PolarHBondContact O-N 3.19Å; N128-L132 WeakPolarHBondContact O-CG 3.29Å; N128-L132 PolarHBondContact O-N 3.18Å; N128-I138 HydrophobicContact CB-CD1 3.68Å; N128-I138 WeakPolarHBondContact O-CD1 3.43Å
129K86.3Confident85.4Confident112 Ų11278.1 Ų78.149%0.48743%0.433SS..Hα-helixtrans-61.8-40.6172.3-73.8-178177.8-168.30111.3L124 T125 V126 K133L124-K129 HydrophobicContact CB-CG 4.19Å; L124-K129 WeakPolarHBondContact O-CE 3.48Å; T125-K129 WeakPolarHBondContact O-CB 3.33Å; T125-K129 WeakPolarHBondContact O-CG 3.11Å; T125-K129 PolarHBondContact O-N 3.38Å; V126-K129 PolarHBondContact O-N 3Å; K129-K133 WeakPolarHBondContact O-CB 2.99Å; K129-K133 VanDerWaalsContact O-CG 3.29Å; K129-K133 WeakPolarHBondContact O-CG 3.45Å; K129-K133 PolarHBondContact O-N 3.28Å
130A88.6Confident84.4Confident57 Ų5774.8 Ų74.847%0.47142%0.42SS..Hα-helixtrans-64.2-42.6175.800000111.8V126 D127 N128 K133 A134V126-A130 PolarHBondContact O-N 3.38Å; D127-A130 WeakPolarHBondContact O-CB 3.25Å; D127-A130 PolarHBondContact O-N 3.14Å; N128-A130 VanDerWaalsContact C-N 3.31Å; N128-A130 PolarHBondContact O-N 3.08Å; A130-K133 PolarHBondContact O-N 3.14Å; A130-A134 WeakPolarHBondContact O-CB 3.35Å; A130-A134 PolarHBondContact O-N 3.45Å
131K87.3Confident83Confident79 Ų7978.1 Ų78.134%0.34343%0.426SS..Hα-helixtrans-62.8-44.7176.2-73.3-177173.4-164.40113.1D127 N128 K133 A134 G135 Q136 I138D127-K131 WeakPolarHBondContact O-CG 3.31Å; D127-K131 PolarHBondContact O-N 2.97Å; N128-K131 PolarHBondContact O-N 3.19Å; K131-K133 VanDerWaalsContact C-N 3.32Å; K131-K133 PolarHBondContact O-N 3.11Å; K131-A134 CarbonylContact O-C 3.59Å; K131-A134 PolarHBondContact O-N 2.96Å; K131-A134 VanDerWaalsContact O-N 3.11Å; K131-G135 PolarHBondContact O-N 2.96Å; K131-Q136 HydrophobicContact CB-CB 4.23Å; K131-Q136 VanDerWaalsContact CG-OE1 3.29Å; K131-Q136 WeakPolarHBondContact O-CB 3.47Å; K131-Q136 PolarHBondContact O-N 2.98Å; K131-I138 HydrophobicContact CB-CD1 3.57Å; K131-I138 HydrophobicContact CB-CG1 3.95Å; K131-I138 HydrophobicContact CD-CD1 4.38Å; K131-I138 HydrophobicContact CD-CG1 4.43Å
132L86.1Confident81.1Confident86 Ų8683 Ų8345%0.4545%0.452SS..Hα-helixtrans-61.3-41.5174.7-69.1175.4000111.6L124 N128 A134 G135 I138L124-L132 HydrophobicContact CD2-CD1 3.79Å; N128-L132 WeakPolarHBondContact O-CG 3.29Å; N128-L132 PolarHBondContact O-N 3.18Å; L132-A134 VanDerWaalsContact C-N 3.25Å; L132-A134 PolarHBondContact O-N 3.4Å; L132-G135 PolarHBondContact O-N 3.16Å; L132-G135 VanDerWaalsContact O-N 3.08Å; L132-I138 HydrophobicContact CD1-CD1 4.43Å; L132-I138 HydrophobicContact CD2-CD1 3.75Å; L132-I138 HydrophobicContact CD2-CG1 4.02Å; L132-I138 HydrophobicContact CG-CD1 3.58Å; L132-I138 HydrophobicContact CG-CG1 4.38Å
133K87.1Confident79Confident187 Ų18787.1 Ų87.181%0.81348%0.479SS*.Hα-helixtrans-64.3-30.6175.2-74.1178.5177.9-168.80112.9K129 A130 K131 G135K129-K133 WeakPolarHBondContact O-CB 2.99Å; K129-K133 VanDerWaalsContact O-CG 3.29Å; K129-K133 WeakPolarHBondContact O-CG 3.45Å; K129-K133 PolarHBondContact O-N 3.28Å; A130-K133 PolarHBondContact O-N 3.14Å; K131-K133 VanDerWaalsContact C-N 3.32Å; K131-K133 PolarHBondContact O-N 3.11Å; K133-G135 PolarHBondContact O-N 2.83Å
134A90.3Very high76.8Confident81 Ų8187.7 Ų87.767%0.66949%0.489SS*.THydrogen-bonded Turntrans-81.83.817500000113.4A130 K131 L132 Q136A130-A134 WeakPolarHBondContact O-CB 3.35Å; A130-A134 PolarHBondContact O-N 3.45Å; K131-A134 CarbonylContact O-C 3.59Å; K131-A134 PolarHBondContact O-N 2.96Å; K131-A134 VanDerWaalsContact O-N 3.11Å; L132-A134 VanDerWaalsContact C-N 3.25Å; L132-A134 PolarHBondContact O-N 3.4Å; A134-Q136 PolarHBondContact O-N 3.03Å
135G85.8Confident74.7Confident71 Ų7190.3 Ų90.373%0.73251%0.508SS*.THydrogen-bonded Turntrans68.115.2-176.200000113.9K131 L132 K133K131-G135 PolarHBondContact O-N 2.96Å; L132-G135 PolarHBondContact O-N 3.16Å; L132-G135 VanDerWaalsContact O-N 3.08Å; K133-G135 PolarHBondContact O-N 2.83Å
136Q82.9Confident72.6Confident105 Ų10592.9 Ų92.949%0.49152%0.521SS..  trans-80.9131.9178.1-174.5168.963.600110.1K131 A134K131-Q136 HydrophobicContact CB-CB 4.23Å; K131-Q136 VanDerWaalsContact CG-OE1 3.29Å; K131-Q136 WeakPolarHBondContact O-CB 3.47Å; K131-Q136 PolarHBondContact O-N 2.98Å; A134-Q136 PolarHBondContact O-N 3.03Å
137D77.8Confident70.3Confident149 Ų14995.7 Ų95.780%0.79752%0.519SS*.  trans-65.2133.6175.6-1709.1000110.9
138I73.9Confident68.2Low22 Ų22100.8 Ų100.811%0.11353%0.531CS..  trans-120.2102.9177.4-49.9-177.9000107.6V122 N128 K131 L132V122-I138 HydrophobicContact CG1-CB 3.9Å; V122-I138 HydrophobicContact CG1-CD1 4.33Å; V122-I138 HydrophobicContact CG1-CG2 3.41Å; V122-I138 VanDerWaalsContact CG1-CG2 3.41Å; V122-I138 HydrophobicContact CG2-CB 4.31Å; V122-I138 HydrophobicContact CG2-CG2 4.36Å; V122-I138 WeakPolarHBondContact CG2-O 3.49Å; N128-I138 HydrophobicContact CB-CD1 3.68Å; N128-I138 WeakPolarHBondContact O-CD1 3.43Å; K131-I138 HydrophobicContact CB-CD1 3.57Å; K131-I138 HydrophobicContact CB-CG1 3.95Å; K131-I138 HydrophobicContact CD-CD1 4.38Å; K131-I138 HydrophobicContact CD-CG1 4.43Å; L132-I138 HydrophobicContact CD1-CD1 4.43Å; L132-I138 HydrophobicContact CD2-CD1 3.75Å; L132-I138 HydrophobicContact CD2-CG1 4.02Å; L132-I138 HydrophobicContact CG-CD1 3.58Å; L132-I138 HydrophobicContact CG-CG1 4.38Å
139S68.3Low66Low69 Ų69106.1 Ų106.148%0.48356%0.555SS.*  trans-70.6134.9174.2-165.20000111R141S139-R141 PolarHBondContact O-N 3.38Å; S139-R141 WeakPolarHBondContact OG-CB 3.38Å; S139-R141 WeakPolarHBondContact OG-CG 3.4Å; S139-R141 PolarHBondContact OG-N 3.27Å
140S62.1Low63.6Low20 Ų20112 Ų11214%0.1457%0.574CS.*SBendtrans-67.8-7165.454.30000112.9E119 L142E119-S140 WeakPolarHBondContact O-CB 3.27Å; E119-S140 PolarHBondContact O-OG 2.88Å; S140-L142 PolarHBondContact O-N 3.36Å
141R54.6Low61.4Low150 Ų150116 Ų11657%0.56659%0.587SS**SBendtrans-73.288.7175.1-60.5-168.4-160.6-166.415.8111N11 S139N11-R141 VanDerWaalsContact CG-CZ 3.45Å; N11-R141 VanDerWaalsContact ND2-CZ 3.3Å; N11-R141 PolarHBondContact ND2-NH2 3.07Å; N11-R141 PolarHBondContact OD1-NE 3.08Å; N11-R141 PolarHBondContact OD1-NH1 3.26Å; N11-R141 PolarHBondContact OD1-NH2 3.16Å; S139-R141 PolarHBondContact O-N 3.38Å; S139-R141 WeakPolarHBondContact OG-CB 3.38Å; S139-R141 WeakPolarHBondContact OG-CG 3.4Å; S139-R141 PolarHBondContact OG-N 3.27Å
142L49.5Very low58.8Low106 Ų106115.7 Ų115.756%0.55561%0.606SS**  trans76149.7158.9-65.1179.4000118.4N13 S140 N144N13-L142 HydrophobicContact CB-CD2 3.55Å; N13-L142 HydrophobicContact CB-CG 4.49Å; N13-L142 WeakPolarHBondContact ND2-CD2 3.2Å; S140-L142 PolarHBondContact O-N 3.36Å; L142-N144 PolarHBondContact O-N 3.12Å
143P43Very low56.4Low107 Ų107119.7 Ų119.770%0.69562%0.62SS**  trans-69.6133.6-178.125.5-23.9000109.4P145P143-P145 WeakPolarHBondContact O-CD 3.43Å; P143-P145 VanDerWaalsContact O-N 3.09Å
144N43.8Very low54.2Low99 Ų99116.6 Ų116.653%0.52962%0.622SS.*  trans-45.3116.5173.2-173.1-8.3000110.6L142 N146 R147L142-N144 PolarHBondContact O-N 3.12Å; N144-N146 PolarHBondContact O-N 3.38Å; N144-N146 VanDerWaalsContact O-N 3.08Å; N144-N146 WeakPolarHBondContact OD1-CB 3.29Å; N144-N146 PolarHBondContact OD1-N 2.86Å; N144-N146 VanDerWaalsContact OD1-N 3.12Å; N144-R147 PolarHBondContact O-N 2.91Å
145P46.9Very low51.5Low102 Ų102118.8 Ų118.866%0.66263%0.627SS**G310 helixtrans-62.9-14.6179.923.2-31.6000112.9P143 R147P143-P145 WeakPolarHBondContact O-CD 3.43Å; P143-P145 VanDerWaalsContact O-N 3.09Å; P145-R147 PolarHBondContact O-N 3.33Å
146N45.3Very low49.1Very low82 Ų82123.2 Ų123.244%0.43963%0.634SS.*G310 helixtrans-77.51.1-177.3-67.3-14.5000114.9N144 Y148 Q149N144-N146 PolarHBondContact O-N 3.38Å; N144-N146 VanDerWaalsContact O-N 3.08Å; N144-N146 WeakPolarHBondContact OD1-CB 3.29Å; N144-N146 PolarHBondContact OD1-N 2.86Å; N144-N146 VanDerWaalsContact OD1-N 3.12Å; N146-Y148 PolarHBondContact O-N 2.88Å; N146-Q149 PolarHBondContact O-N 3.47Å; N146-Q149 PolarHBondContact OD1-OE1 3.25Å
147R42.1Very low47Very low183 Ų183121 Ų12169%0.69164%0.639SS**G310 helixtrans-68.8-18.4177.8-144-178.1-130.7174.13.6113.4N144 P145N144-R147 PolarHBondContact O-N 2.91Å; P145-R147 PolarHBondContact O-N 3.33Å
148Y42.8Very low45Very low215 Ų215122.9 Ų122.984%0.84364%0.64SS**G310 helixtrans-91.3-10.5174.3-60.1-76.4000113.7N146N146-Y148 PolarHBondContact O-N 2.88Å
149Q41.6Very low43.6Very low146 Ų146128.2 Ų128.268%0.68267%0.669SS**THydrogen-bonded Turntrans-87.1-9.2-179.2-71.1178.68.100113.6N146N146-Q149 PolarHBondContact O-N 3.47Å; N146-Q149 PolarHBondContact OD1-OE1 3.25Å
150R36.8Very low42.2Very low235 Ų235132.7 Ų132.789%0.88769%0.688SS**THydrogen-bonded Turntrans-96.214.7-175.7-145.2-179.8-144.1-161.44.9115.2
151L41.3Very low41.4Very low143 Ų143138.3 Ų138.375%0.74972%0.721SS**  trans-116.652.2166.9-147.378.5000109.8F153L151-F153 HydrophobicContact CD2-CE2 4.09Å; L151-F153 HydrophobicContact CG-CD2 4.41Å; L151-F153 HydrophobicContact CG-CE2 4.02Å; L151-F153 PolarHBondContact O-N 3.01Å
152G33.8Very low41.1Very low71 Ų71138.4 Ų138.473%0.73273%0.732SS**  trans-82.596.6165.900000108.8S154G152-S154 PolarHBondContact O-N 3.05Å
153F35.8Very low40.7Very low171 Ų171143.1 Ų143.175%0.7575%0.748SS**  trans-62.1128.2161.6-80.6-89.6000108.3L151 T155L151-F153 HydrophobicContact CD2-CE2 4.09Å; L151-F153 HydrophobicContact CG-CD2 4.41Å; L151-F153 HydrophobicContact CG-CE2 4.02Å; L151-F153 PolarHBondContact O-N 3.01Å; F153-T155 PolarHBondContact O-N 3.44Å
154S39.5Very low40.4Very low122 Ų122145.5 Ų145.585%0.85375%0.753SS**  trans-65109.7164.7-162.40000107.6G152G152-S154 PolarHBondContact O-N 3.05Å
155T34.8Very low40Very low126 Ų126147.6 Ų147.677%0.77376%0.763SS**  trans-135.5112.1159.753.60000108.6F153F153-T155 PolarHBondContact O-N 3.44Å
156D34.4Very low39.4Very low164 Ų164149.7 Ų149.788%0.87777%0.767SS**  trans-46.7142.7165.2-166.39.9000112
157G38.5Very low39Very low59 Ų59152 Ų15261%0.60878%0.778SS**  trans73.1112.215000000119.3
158K37.1Very low38.6Very low189 Ų189150.7 Ų150.782%0.82278%0.783SS**  trans89.3106.9147.6-61.2175.3178.11740117.7
159D44.7Very low38.1Very low134 Ų134145.4 Ų145.472%0.71778%0.776SS**  trans56.299.5131.5-40.5-25.9000116.2
160N37.6Very low38.2Very low163 Ų163143.8 Ų143.887%0.87278%0.778SS**  trans-17977.4136-83.1-42.8000109.2L162N160-L162 PolarHBondContact O-N 3.12Å
161V44.8Very low37.9Very low138 Ų138138.8 Ų138.884%0.83678%0.778SS**  trans-63.6126.6160.3177.60000106.8
162L49Very low37.8Very low152 Ų152140.7 Ų140.780%0.79678%0.783SS**  trans11173.4178.8-64.5153.2000113.7N160N160-L162 PolarHBondContact O-N 3.12Å
163K41.8Very low37.7Very low204 Ų204144.2 Ų144.289%0.88779%0.79SS**  trans-167.634.3150.9-110.2163.5-167.2-1800114.9
164I35.8Very low37.7Very low158 Ų158141.8 Ų141.881%0.8179%0.789SS**  trans-139.863.3166.9-50.4178.4000109.2
165I35.6Very low37.3Very low143 Ų143145.6 Ų145.673%0.73379%0.791SS**  trans-111.685.5154.5-66176000104.4I167I165-I167 HydrophobicContact CG2-CD1 4.1Å; I165-I167 HydrophobicContact CG2-CG1 3.78Å; I165-I167 PolarHBondContact O-N 2.74Å
166I34.9Very low37.1Very low145 Ų145142.7 Ų142.774%0.74479%0.786SS**  trans-85.995.3164.7-64.1-179.1000105.6I168I166-I168 HydrophobicContact CG2-CG1 4.25Å; I166-I168 PolarHBondContact O-N 2.85Å
167I35.7Very low37.4Very low130 Ų130141.6 Ų141.667%0.66779%0.788SS**  trans-64.3121.3163.8-69.7156.8000107.2I165 C169I165-I167 HydrophobicContact CG2-CD1 4.1Å; I165-I167 HydrophobicContact CG2-CG1 3.78Å; I165-I167 PolarHBondContact O-N 2.74Å; I167-C169 HydrophobicContact CG2-CB 4.07Å
168I34.9Very low37Very low156 Ų156142.1 Ų142.180%0.879%0.793SS**  trans-119.692.4148.7-56-179.4000105.9I166I166-I168 HydrophobicContact CG2-CG1 4.25Å; I166-I168 PolarHBondContact O-N 2.85Å
169C32.7Very low37.1Very low105 Ų105143.4 Ų143.471%0.70980%0.795SS**  trans-122.6120.3162.9-158.50000105.7I167I167-C169 HydrophobicContact CG2-CB 4.07Å
170P43.3Very low36.5Very low111 Ų111147.2 Ų147.272%0.72181%0.805SS**  trans-97.1110.6-179.933.3-23.8000108.9
171C30.5Very low36.6Very low130 Ų130147.4 Ų147.488%0.87881%0.805SS**  trans-153.9134.9156.2-90.90000109.7
172Q38.4Very low36.5Very low184 Ų184146.4 Ų146.486%0.8680%0.801SS**  trans-54.4143.7178.9-66.6151.1-11.400112.1
173T31.2Very low36.2Very low144 Ų144144.8 Ų144.888%0.88380%0.8SS**  -177.8139.1119.6200000111.8
174V37Very low35.7Very low120 Ų120146.4 Ų146.473%0.72780%0.801SS**  trans-62.3139.4170.4176.10000109.4
175F31.7Very low36Very low202 Ų202143.7 Ų143.789%0.88679%0.793SS**  trans165.5142.2131.3-93.3-74.3000111.6
176G29.9Very low35.7Very low66 Ų66141.6 Ų141.668%0.6879%0.791SS**  trans-75.3-172.7-170.400000116.6
177P39.9Very low35.5Very low141 Ų141141.2 Ų141.292%0.91679%0.791SS**  trans-85.4128.5-164.933.6-31000111.7
178G30.6Very low35.3Very low69 Ų69142.9 Ų142.971%0.71180%0.796SS**  trans-141.7117.9170.600000109.5
179Y40Very low35Very low217 Ų217140.9 Ų140.985%0.85180%0.796SS**  trans-44.8139.9174-41.6-90.5000112.4
180F31.6Very low35.5Very low214 Ų214141.3 Ų141.394%0.93980%0.797SS**  trans-169.5126.4140.6-97.8-69.5000110.8
181L38.9Very low34.8Very low167 Ų167140.5 Ų140.587%0.87480%0.8SS**  trans-67.4152.6169.2-75.5150.4000111.4
182P42.7Very low35.1Very low116 Ų116142.6 Ų142.675%0.75380%0.796SS**  trans-103.8147.3156.734.6-25.5000112.3
183P43.8Very low35.2Very low119 Ų119139.9 Ų139.977%0.77380%0.795SS**  trans-105.5163.3178.638.6-31.1000113.6
184R30.1Very low35Very low237 Ų237142.3 Ų142.389%0.89479%0.789SS**  trans125159.2153.2-83.4-170.5159.7-179.2-3115.5
185P42.3Very low34.9Very low102 Ų102144.7 Ų144.766%0.66279%0.792SS**  -139.4164.8-51.738.6-19.7000114.1
186S30.5Very low35.8Very low98 Ų98140.5 Ų140.569%0.68579%0.785SS**  trans31.4113.6145.966.50000123.1
187N30.2Very low35.8Very low137 Ų137146 Ų14673%0.73379%0.793SS**  70.3118.8118.7-79-6.7000124
188Q32.1Very low35.6Very low165 Ų165148.4 Ų148.477%0.77179%0.789SS**  94.2100.3128.9-68.5174.246.100120
189S27.4Very low35.6Very low115 Ų115150.4 Ų150.480%0.80479%0.792SS**  41.6167.7117.7-121.70000121.3
190P43.8Very low35.4Very low114 Ų114149 Ų14974%0.7479%0.793SS**  cis-135168.1-9.437.5-20.3000114.1
191A28Very low35.4Very low94 Ų94144.8 Ų144.878%0.77779%0.785SS**  trans174.4107.6132.100000111.9
192H36Very low34.8Very low174 Ų174144.7 Ų144.781%0.80678%0.782SS**  trans-111147.6145.6-84-68.9000107.2
193P41.7Very low34.4Very low127 Ų127150.2 Ų150.283%0.82579%0.788SS**  -131.1143.2129.99.511.9000112.5
194Y27.7Very low34.4Very low194 Ų194149.4 Ų149.476%0.76178%0.782SS**  trans-91.7163.4172.8-103.7-94.4000112
195H34.5Very low34.7Very low170 Ų170146.4 Ų146.479%0.78778%0.779SS**  trans94.5157.3154.5-77.2-59.8000120
196P49.3Very low34.2Very low115 Ų115147.1 Ų147.175%0.74779%0.786SS**  cis-139.2-177.5-28.733.9-13.2000115.3
197H31.2Very low34.5Very low182 Ų182146.2 Ų146.284%0.84379%0.792SS**  trans-58.2150.7175.2-93.6-93.1000117.6
198K35.2Very low35Very low191 Ų191146.4 Ų146.483%0.8380%0.798SS**  160.6150.6111.3-85.6-173.6-176.5175.80115.4
199S31.3Very low35.6Very low110 Ų110143.4 Ų143.477%0.76979%0.794SS**  trans78.9107.6148.142.90000125.2
200Q35.2Very low36.3Very low188 Ų188144.3 Ų144.388%0.87979%0.794SS**  32.4136.5126-73.4174-8.200123.3
201T30.7Very low36.2Very low126 Ų126144.2 Ų144.277%0.77379%0.793SS**  166.3124.3109.5-69.50000114.8
202M28Very low37.5Very low165 Ų165144.4 Ų144.481%0.81379%0.786SS**  trans66.1101.1149-59.7-80-89.400125
203R34.5Very low37.5Very low231 Ų231145.6 Ų145.687%0.87278%0.784SS**  35.8168122.8-79.4-159.1179.1-164.53123.3
204P42.6Very low37.5Very low102 Ų102147.6 Ų147.666%0.66278%0.776SS**  cis-140175.5-28.736.2-16.9000114.8
205Q36.1Very low38.2Very low175 Ų175147 Ų14782%0.81879%0.785SS**  trans155.896.7137.4-85.2178.327.300109.3
206S31.4Very low38.2Very low116 Ų116150.2 Ų150.281%0.81179%0.79SS**  88.7107.187.268.60000112.9
207G37.4Very low37.5Very low79 Ų79156.2 Ų156.281%0.81480%0.798SS**  trans167.374.9175.500000110.6
208T40.6Very low37.8Very low141 Ų141153.7 Ų153.787%0.86580%0.795SS**  trans-61.7146.5-170.1-380000114.2
209P46Very low38.3Very low103 Ų103150.6 Ų150.667%0.66979%0.794SS**  trans-99.1153.5-178.437.6-34.2000114.9
210V40.6Very low38.1Very low133 Ų133148.9 Ų148.981%0.80679%0.794SS**  trans66.8139.3138.3175.90000117
211P42.8Very low37.9Very low113 Ų113144.7 Ų144.773%0.73479%0.792SS**  -148.3168.456.136.2-12.6000120
212P53.8Low38Very low97 Ų97142.9 Ų142.963%0.6379%0.79SS**  trans-94.9142.4172.536.1-28.9000111.3
213R37.9Very low38.4Very low200 Ų200143.3 Ų143.376%0.75579%0.794SS**  trans-156.4108.5157.5-71.4-152.8152.41080.1112.9
214Y40.5Very low38.2Very low169 Ų169137.5 Ų137.566%0.66379%0.789SS**  trans-0.3131.2139.521.9-92.3000117.8
215L41.8Very low37.6Very low181 Ų181138.8 Ų138.895%0.94880%0.801SS**  trans-161.3130.9134.1-98.4177.8000111.6
216R35.4Very low37.4Very low238 Ų238135.7 Ų135.790%0.89879%0.794SS**  trans-84.2141.3172.1172.8-174.4178.9-175.20.8109.1
217R35.2Very low37.4Very low241 Ų241137.1 Ų137.191%0.90980%0.798SS**  trans156.6121.8137.3-173.3176.4-62.1172.80.8113.1
218V35.9Very low37.5Very low128 Ų128140.3 Ų140.378%0.77680%0.796SS**  trans-83.4166.2160.2167.70000108.2
219P45.6Very low37.4Very low126 Ų126139.8 Ų139.882%0.81879%0.794SS**  cis-134.7175.76.520.36.2000116.4
220G29.2Very low36.7Very low74 Ų74143 Ų14376%0.76381%0.805SS**  trans137.6120.6137.900000118.8
221A30.3Very low36.5Very low101 Ų101142.1 Ų142.184%0.83580%0.8SS**  trans77.3121.5141.300000121.8
222A31.8Very low36Very low88 Ų88144.9 Ų144.973%0.72780%0.8SS**  trans73.2116.4131.100000119.3
223L36.6Very low34.8Very low173 Ų173146.4 Ų146.491%0.90680%0.803SS**  164.4132.897.9-80.3175.4000109.8
224S30.7Very low34.5Very low109 Ų109144 Ų14476%0.76280%0.8SS**  trans-64.3156.7171.7-61.40000112.8
225S31Very low34.8Very low130 Ų130141.7 Ų141.791%0.90981%0.806SS**  trans-154.6119.4138-76.70000111.5
226T30.6Very low34.2Very low110 Ų110140.6 Ų140.668%0.67580%0.798SS**  trans-65.3147.9172-580000112.8L228T226-L228 HydrophobicContact CG2-CD2 4.35Å; T226-L228 HydrophobicContact CG2-CG 4.26Å
227T32.5Very low35.5Very low146 Ų146133.8 Ų133.890%0.89679%0.785SS**  trans-152.3132.2136.7-52.20000110.2
228L39.1Very low35.2Very low146 Ų146130 Ų13076%0.76478%0.782SS**PPolyproline II helixtrans-82.6166.8-168.9-59.7165.4000114.1T226T226-L228 HydrophobicContact CG2-CD2 4.35Å; T226-L228 HydrophobicContact CG2-CG 4.26Å
229P38.6Very low34.9Very low129 Ų129134.2 Ų134.284%0.83878%0.784SS**PPolyproline II helixtrans-95.9166.115436.1-26.9000113.4
230L31.6Very low34.2Very low170 Ų170136.8 Ų136.889%0.8978%0.784SS**PPolyproline II helixtrans-83.8160.4-159.9-178.864.3000115.2
231V35Very low35.7Very low116 Ų116137.6 Ų137.670%0.70378%0.776SS**PPolyproline II helixtrans-83.4160.3-163.2-177.20000115.1
232K33.3Very low35.8Very low171 Ų171142.7 Ų142.774%0.74378%0.775SS**  trans142.3140.1131.2-80.8-169145.9-153.60112.7
233D29.2Very low35.8Very low129 Ų129144.9 Ų144.969%0.6978%0.78SS**  cis-159.5152.14.6-98.3-32.9000108.9
234E30.6Very low35.5Very low148 Ų148140.6 Ų140.669%0.69278%0.778SS**  trans-76.8175.8171.2-96.7-81.6158.800111.6M236E234-M236 WeakPolarHBondContact OE2-CB 3.02Å; E234-M236 PolarHBondContact OE2-N 3.46Å
235P46Very low35.3Very low121 Ų121139.6 Ų139.679%0.78678%0.784SS**  -151.313254.136.5-11.4000120.7
236M30.2Very low35.2Very low158 Ų158139 Ų13978%0.77878%0.78SS**  31.5171.2113.6-119.8-147.2176.500124E234E234-M236 WeakPolarHBondContact OE2-CB 3.02Å; E234-M236 PolarHBondContact OE2-N 3.46Å
237P61.8Low35.3Very low95 Ų95138 Ų13862%0.61778%0.778SS**  -136.4-169.4-91.646.2-28.4000115.1
238L29.1Very low35.3Very low162 Ų162137.9 Ų137.985%0.84877%0.771SS**  trans-157.1120.6153.5-139.981.5000116.4
239R29.4Very low35.1Very low216 Ų216135.5 Ų135.582%0.81577%0.767SS**  trans19.9121.9145.1-57.2-163.2174-156.7-1121.4
240H32.3Very low34.9Very low180 Ų180139.4 Ų139.483%0.83377%0.771SS**  62158.685-66.845.2000116.3
241P61.1Low34.8Very low91 Ų91136.9 Ų136.959%0.59176%0.763SS**  -134.2-171.2-60.338.1-18.3000112.4
242Y31.1Very low35.1Very low209 Ų209139.5 Ų139.582%0.8277%0.772SS**  trans149.7124.4138.8-80.7-69.6000117.2
243T32.2Very low35.1Very low133 Ų133138.1 Ų138.182%0.81677%0.768SS**  trans-0.9141.2149.849.80000124.9
244G29.3Very low35.3Very low84 Ų84138.7 Ų138.787%0.86678%0.775SS**  124.313612100000118.6
245G27.7Very low35.4Very low87 Ų87138.2 Ų138.290%0.89777%0.773SS**  trans127.3128.9147.600000118.3
246S28.7Very low34.8Very low119 Ų119140.3 Ų140.383%0.83277%0.773SS**  trans-86.6163.1-173.3-177.90000114.6
247S32.2Very low34.9Very low89 Ų89135.7 Ų135.762%0.62277%0.766SS**  124.8139.6123.9-150.80000119.3
248N33.8Very low33.4Very low142 Ų142141.3 Ų141.376%0.75978%0.781SS**  trans92.1102149.5-67.1-26.6000122.7
249S33.7Very low33.8Very low96 Ų96141.4 Ų141.467%0.67178%0.781SS**  27.9132.6120.760.40000121.5
250K34.3Very low34.8Very low211 Ų211136.9 Ų136.992%0.91778%0.78SS**  -168.6141.6118.8-102.7167.2-171.6176.50114.3
251T29.9Very low34.6Very low117 Ų117140 Ų14072%0.71878%0.784SS**  trans-77.2147-179.5-57.10000114.5
252L40.7Very low33.4Very low172 Ų172144 Ų14490%0.90180%0.797SS**  trans-155101.1139.6-71.8-177.4000106.2
253H34Very low33.3Very low142 Ų142137.7 Ų137.766%0.65780%0.796SS**  33.8108.683.3-155.1-59.6000115.6
254V33.4Very low33.5Very low140 Ų140139.4 Ų139.485%0.84880%0.799SS**  -166143.3123.3153.20000108.9
255Q32Very low33.5Very low138 Ų138139.2 Ų139.265%0.64580%0.798SS**  trans-113.6168-161.4-168.1-172.79.100110.2
256Q34.7Very low33.7Very low166 Ų166144 Ų14478%0.77680%0.797SS**  trans90.5125.1156.8-52.9175.9-1.300115.1
257G31.7Very low34Very low61 Ų61144.8 Ų144.863%0.62980%0.796SS**  cis124.1128.910.900000110.7
258F30.4Very low34Very low212 Ų212148.1 Ų148.193%0.9380%0.802SS**  trans103.8113.6160.5-56.2-72.8000120
259L38.3Very low33.8Very low165 Ų165150 Ų15086%0.86480%0.804SS**  trans-78.2-163.7159.4-65.7166.6000110.6
260P48.5Very low33.6Very low120 Ų120153.1 Ų153.178%0.77981%0.813SS**  -123.2174.6-75.937.2-20.8000111.6
261R28.6Very low33.3Very low246 Ų246147.1 Ų147.193%0.92880%0.798SS**  trans-154.5129.8163.1-158.4171.4176.8-175.40.1115.4
262M35.5Very low33.5Very low176 Ų176151.8 Ų151.887%0.86781%0.808SS**  trans-75.2155.7164.7-77.6153.464.200112.4
263G30.5Very low33.1Very low76 Ų76148.6 Ų148.678%0.78480%0.801SS**  trans-161.5117.6164.800000113
264N34.9Very low33.2Very low168 Ų168148 Ų14890%0.89881%0.809SS**  trans-74.9160.4169.8-65.7-16.6000111.5
265G29.7Very low33.2Very low80 Ų80153.1 Ų153.183%0.82581%0.813SS**  trans171.7103.3160.100000114.7
266E31.8Very low33.2Very low189 Ų189153.4 Ų153.488%0.88382%0.819SS**  trans-76151.1163.1-68.7178.9136.100111.6
267T35.9Very low33.6Very low134 Ų134151 Ų15182%0.82282%0.818SS**  trans177.3112.1131.227.10000112.9
268H32.4Very low33.7Very low160 Ų160155.5 Ų155.574%0.74182%0.823SS**  50.7132.6129.6-78.9-83.6000126.3
269F29Very low33.7Very low181 Ų181154.8 Ų154.879%0.79482%0.815SS**  trans71.4111.5145.3-82.5-78000122.2
270N29.4Very low33.2Very low162 Ų162153.1 Ų153.187%0.86680%0.803SS**  -170.1144.9107.6-100.2-26.1000114.1
271S28.6Very low32.3Very low85 Ų85155.2 Ų155.259%0.59480%0.802SS**  trans-96145.6-171.8-1800000111.7
272F32.9Very low32.2Very low214 Ų214146.3 Ų146.394%0.93979%0.787SS**  trans-157122.5146.4-88.4-69.5000111.5
273S32.3Very low32.1Very low106 Ų106149.1 Ų149.174%0.74179%0.79SS**PPolyproline II helixtrans-85.3162172.2-53.10000112.8
274P37.2Very low31.9Very low129 Ų129155.9 Ų155.984%0.83879%0.793SS**PPolyproline II helixtrans-101.4149.315215.63.1000112.8
275R32.6Very low32.4Very low248 Ų248153 Ų15394%0.93678%0.784SS**PPolyproline II helixtrans-75.2153.1-173.4-80.6-179.4-172.1-159.50.2115.1
276N31.7Very low32.5Very low143 Ų143154.5 Ų154.577%0.76578%0.777SS**PPolyproline II helixtrans-80.1165.7164.2-142.9-2.7000111.9
277P45Very low32.6Very low116 Ų116154.2 Ų154.275%0.75378%0.776SS**  trans-129.7112.113331.9-18.1000111.2
278Q33.4Very low32.2Very low156 Ų156156.3 Ų156.373%0.72978%0.781SS**  5399.5100.7-73-164.8-13.200115.8
279Y29.8Very low32Very low196 Ų196157 Ų15777%0.76978%0.784SS**  93.2143.4104.2-85.2-52.3000113
280Q28.7Very low32Very low130 Ų130153.3 Ų153.361%0.60778%0.781SS**  cis-161.7156.46.2-108.2-157.2-13.200110.8
281H28.3Very low31.9Very low164 Ų164156 Ų15676%0.75978%0.78SS**  trans64.1140.2143.5-69.635000119.6
282G27.8Very low31.8Very low60 Ų60158.6 Ų158.662%0.61979%0.786SS**  cis169.8165.64.800000108.4
283Y32.2Very low31.6Very low235 Ų235155.6 Ų155.692%0.92278%0.779SS**  trans84.6111171-60.1-84.8000120
284Y27.2Very low31.6Very low217 Ų217158.8 Ų158.885%0.85179%0.787SS**  trans-74172.7150.3-105.2-100.9000109.5
285P43.8Very low31.2Very low109 Ų109155.3 Ų155.371%0.70878%0.775SS**  cis-145.71731621.47.6000118.3
286T31.8Very low31.1Very low110 Ų110150.9 Ų150.968%0.67577%0.768SS**  trans56.5124138-45.60000123.9
287E34Very low31.1Very low184 Ų184150.9 Ų150.986%0.8677%0.768SS**  trans35.5125147-58.9171.5176.900121.9
288L28.1Very low30.3Very low177 Ų177153 Ų15393%0.92777%0.772SS**  trans-145.3126.5148.9-162.478000110.3
289E29.2Very low30.6Very low176 Ų176151.6 Ų151.682%0.82278%0.777SS**  trans-68.3156.8170.1-78.1-161.3138.700113.4
290S27.8Very low30.6Very low102 Ų102153.5 Ų153.571%0.71378%0.782SS**  trans97.2112.713974.90000121.5
291Y27Very low30.8Very low220 Ų220155.4 Ų155.486%0.86380%0.795SS**  trans81.5118.2132.5-91.5-69.9000123.3
292I28Very low30.9Very low138 Ų138153.1 Ų153.171%0.70879%0.792SS**  trans120.2108132.6-67.2170.2000119.3
293L28.6Very low30.9Very low151 Ų151154.8 Ų154.879%0.79180%0.8SS**  trans49.9123137.3-66.2170.8000122
294L30.9Very low30.6Very low173 Ų173149.2 Ų149.291%0.90679%0.794SS**  175.1129.898.5-101.4153.5000111.7
295G28.2Very low30.6Very low57 Ų57150.2 Ų150.259%0.58880%0.796SS**  trans11896.1135.900000120.1
296I32Very low29.8Very low154 Ų154151 Ų15179%0.7980%0.803SS**  71129.6125-61165.3000116.6
297D30.9Very low29.7Very low144 Ų144150.6 Ų150.677%0.7781%0.805SS**  cis-158.8141.512.6-114.7-25.7000110.6
298L28.4Very low29.5Very low159 Ų159150.9 Ų150.983%0.83281%0.806SS**  trans-126.2128.9164.7-136.988.9000107.2R300L298-R300 PolarHBondContact O-N 3.38Å
299P40.1Very low29.7Very low128 Ų128148.9 Ų148.983%0.83180%0.801SS**PPolyproline II helixtrans-76.9131.4-177.328.5-30.6000112
300R30.4Very low29.8Very low236 Ų236144.3 Ų144.389%0.89180%0.801SS**PPolyproline II helixtrans-60.3130.5178.8-66.7172.6159.9-150.8-4.7112.8L298L298-R300 PolarHBondContact O-N 3.38Å
301I31.6Very low29.8Very low169 Ų169144.1 Ų144.187%0.86781%0.806SS**PPolyproline II helixtrans-98.6118.4154.7-64.3177.7000107.8
302V30.3Very low30.2Very low117 Ų117142.3 Ų142.371%0.70981%0.805SS**PPolyproline II helixtrans-70.7122.1179.3171.80000109.9
303A27.6Very low30.4Very low94 Ų94141.4 Ų141.478%0.77781%0.811SS**  trans-89.7112.9165.300000109.2R305A303-R305 PolarHBondContact O-N 3.13Å
304C27.1Very low31.4Very low119 Ų119139.7 Ų139.780%0.80481%0.809SS**  trans-81.6113.2167.3-78.40000109.6
305R26.3Very low31.6Very low237 Ų237138.4 Ų138.489%0.89480%0.803SS**  trans-78.5127158.4-81.5-177.4-177.2-171.60.9108.4A303A303-R305 PolarHBondContact O-N 3.13Å
306C27Very low31.9Very low125 Ų125143.4 Ų143.485%0.84582%0.816SS**  trans-120.3116153.7-74.30000108.1
307S29.9Very low32.5Very low103 Ų103145.5 Ų145.572%0.7282%0.819SS**  trans-89.2127.5166.6-56.80000108.1
308H30.7Very low32.7Very low189 Ų189144.9 Ų144.988%0.87582%0.815SS**  trans-146.2133.4151.5-91.9-71.7000110.8
309T31.5Very low33Very low135 Ų135146.9 Ų146.983%0.82881%0.813SS**  trans-73.8138.2175.839.40000112.7
310G30.6Very low32.8Very low80 Ų80148.4 Ų148.483%0.82581%0.814SS**  trans52.2114.1142.400000121.5
311A29.6Very low32.9Very low98 Ų98145.9 Ų145.981%0.8181%0.81SS**  161.3128.5115.200000113.3
312Q33.8Very low33Very low182 Ų182145 Ų14585%0.8580%0.8SS**  trans46.2113.5145-57.3-174.925.200122.9
313S33.1Very low33.3Very low119 Ų119144.2 Ų144.283%0.83280%0.8SS**  trans81.3158.8138.592.80000119.2
314P49.6Very low33.5Very low115 Ų115145.7 Ų145.775%0.74780%0.803SS**  trans-100.4-179.5-136.140.7-38.7000115.1
315D34.7Very low33.7Very low147 Ų147146.8 Ų146.879%0.78680%0.8SS**  trans93.997.8176-72.5-23.9000117
316L35.2Very low34Very low162 Ų162144.8 Ų144.885%0.84880%0.798SS**  trans-168.679137.4-101.7141.9000110.2
317K43.5Very low34.2Very low198 Ų198150.1 Ų150.186%0.86180%0.8SS**  trans-77.8111.8155.5-75.1179.1177.8175.90107.5
318L35.1Very low34.4Very low131 Ų131154.1 Ų154.169%0.68681%0.805SS**  trans169.5-5144.2-101.9153.5000115.9
319Y35.3Very low34.5Very low200 Ų200156.3 Ų156.378%0.78481%0.808SS**THydrogen-bonded Turntrans-92.1-5.4-170.3-99.2-87.4000117.5
320N35.5Very low34.2Very low160 Ų160159.5 Ų159.586%0.85681%0.813SS**THydrogen-bonded Turntrans-94.9-0.2177.2-80.7-19.4000114.8
321F33.6Very low34.2Very low183 Ų183159.6 Ų159.680%0.80381%0.806SS**SBendtrans-85.7-15-178.9-130.9-95.7000113.7
322F33.5Very low34.3Very low150 Ų150163.9 Ų163.966%0.65881%0.809SS**SBendtrans-100.9-6.7-173.3-89.5-82.4000115.7
323S35.3Very low34.2Very low102 Ų102158.5 Ų158.571%0.71380%0.802SS**THydrogen-bonded Turntrans-81.3-14.1-178.7-590000114.1
324C32.3Very low34.8Very low125 Ų125158.9 Ų158.985%0.84580%0.802SS**THydrogen-bonded Turntrans-90.1-12.6178.5-112.80000114.3
325L31.8Very low34Very low141 Ų141159.1 Ų159.174%0.73880%0.801SS**SBendtrans-94.4-2.3-173.4-139.779.7000114.6
326K33.2Very low34.1Very low196 Ų196158.8 Ų158.885%0.85281%0.805SS**SBendtrans-96.812.6-172.4-94-171.4177.2-177.10116.4
327R30.6Very low34.2Very low236 Ų236156.4 Ų156.489%0.89180%0.796SS**SBendtrans-104.97179.3-85.4-158.5-173174.44.1116.8
328F34.3Very low33.5Very low188 Ų188157.1 Ų157.183%0.82580%0.8SS**SBendtrans-124.289168.9-70.4-79.5000108.5
329Y32.1Very low33.5Very low235 Ų235157.9 Ų157.992%0.92281%0.805SS**  trans175100.8150.6-99.7-71.3000108.2
330Q26.6Very low33.7Very low202 Ų202153.2 Ų153.294%0.94480%0.799SS**  trans-148.7130.7148.4-156.5160.519.700109.1
331A29.8Very low33.6Very low81 Ų81153.5 Ų153.567%0.66980%0.801SS**  trans-112.4164.9-170.800000111.5
332E31.8Very low33.5Very low188 Ų188156.8 Ų156.888%0.87981%0.808SS**  trans85.2123.2152.3-64.1-78.8140.200120.8
333G30.6Very low33.3Very low69 Ų69156.5 Ų156.571%0.71181%0.813SS**  trans151.7139.8142.800000115.2
334P47.1Very low33.1Very low128 Ų128158.1 Ų158.183%0.83181%0.813SS**  cis-125.9170.2-44.237.7-23.4000113.5
335V33.1Very low33Very low119 Ų119160.5 Ų160.572%0.72181%0.812SS**  trans-60.5133.6179.8174.30000113.8V337V335-V337 HydrophobicContact CG1-CG2 3.72Å
336T36.3Very low32.9Very low140 Ų140160 Ų16086%0.85982%0.815SS**  trans-119.2116.5150.855.50000109.3
337V37.4Very low32.9Very low112 Ų112156.4 Ų156.468%0.67981%0.812SS**  trans-77.2127.9174.5179.10000109V335V335-V337 HydrophobicContact CG1-CG2 3.72Å
338F29Very low32.9Very low214 Ų214153.4 Ų153.494%0.93981%0.808SS**  trans-152.9133.7148.4-100.4-74000110.9
339D34.5Very low32.9Very low147 Ų147150.2 Ų150.279%0.78681%0.808SS**  trans-71.6158.9-163.7-104.7-43.1000116.5
340P39Very low33.1Very low102 Ų102148.1 Ų148.166%0.66281%0.807SS**  trans-96.7107.617635-23000111.1
341N34.9Very low33.5Very low166 Ų166147.3 Ų147.389%0.88880%0.803SS**  trans171.799.2145.6-95.6-42.3000110.8
342R29.6Very low34.2Very low251 Ų251150 Ų15095%0.94781%0.811SS**  trans-142.5120.7148.8-103.4-171.4176.6-172-1.2109.8
343N30.3Very low34.6Very low145 Ų145150.4 Ų150.478%0.77581%0.81SS**  trans-84.4154.6178.5-153.2-32.1000109.8
344L31.1Very low35.3Very low136 Ų136155.9 Ų155.971%0.71281%0.814SS**  trans73.7103.5160.1-11973.7000119.5
345Q29.2Very low35.4Very low174 Ų174155.6 Ų155.681%0.81381%0.812SS**  163.1130.5100.8-86.2176.86.600111.9
346T30.7Very low36.5Very low131 Ų131158.9 Ų158.980%0.80482%0.82SS**  trans-62.9158.5174.3-15.80000112.3
347P32.5Very low38Very low121 Ų121157.1 Ų157.179%0.78681%0.809SS**  -139.312899.433.5-18000114.7
348E31.3Very low40Very low173 Ų173156.1 Ų156.181%0.80880%0.799SS**  28113.8128-156.9171.3-161.700119.1
349S33.3Very low42.6Very low120 Ų120151.2 Ų151.284%0.83978%0.782SS**  trans-161.2100.8142.8-79.90000111.7
350Q36.5Very low44.9Very low192 Ų192149.9 Ų149.990%0.89778%0.775SS**  trans37.993.6149.3-72.4177.5-8.800119.3
351E36Very low46.9Very low185 Ų185148.8 Ų148.886%0.86477%0.766SS**  trans-90.5114.5157.6-156.5173.9-157.300108.9K353E351-K353 PolarHBondContact O-N 3.04Å
352V44.5Very low49.2Very low136 Ų136144.2 Ų144.282%0.82475%0.745SS**  trans-66.5102.3170.9173.90000107.6K354V352-K354 PolarHBondContact O-N 2.8Å; V352-K354 VanDerWaalsContact O-N 3.08Å
353K39.6Very low51.7Low197 Ų197138.8 Ų138.886%0.85773%0.728SS**  trans-58.5110.7176-70.5-176.9177.6-178.20110E351E351-K353 PolarHBondContact O-N 3.04Å
354K44.6Very low54.3Low185 Ų185138.6 Ų138.680%0.80472%0.722SS**  trans-61.2140.9159.3-66.9173.9-179.8173.30108V352 E356V352-K354 PolarHBondContact O-N 2.8Å; V352-K354 VanDerWaalsContact O-N 3.08Å; K354-E356 PolarHBondContact O-N 3.47Å
355P50.1Low56.9Low122 Ų122136.7 Ų136.779%0.79271%0.712SS**  trans-68.6103.5172.827.8-30.9000108.2V357P355-V357 PolarHBondContact O-N 3.43Å
356E56Low59.3Low187 Ų187130.7 Ų130.787%0.87469%0.692SS**  trans-66.3111.2171-167.6168.8-167.600107.6K354 N358K354-E356 PolarHBondContact O-N 3.47Å; E356-N358 PolarHBondContact O-N 3.16Å; E356-N358 VanDerWaalsContact O-N 3.14Å
357V67.3Low61.5Low104 Ų104129.2 Ų129.263%0.6368%0.679SS**  trans-68.6111.5179.2176.70000107.5P355 L359 V362P355-V357 PolarHBondContact O-N 3.43Å; V357-L359 PolarHBondContact O-N 3.07Å; V357-L359 VanDerWaalsContact O-N 3.11Å; V357-V362 HydrophobicContact CG1-CG2 3.82Å
358N79.4Confident63.9Low91 Ų91129.5 Ų129.549%0.48767%0.67SS.*  trans-69.7107.1177.2-174.2-39.8000109.1E356 D360 V361 V362E356-N358 PolarHBondContact O-N 3.16Å; E356-N358 VanDerWaalsContact O-N 3.14Å; N358-D360 PolarHBondContact O-N 2.97Å; N358-D360 VanDerWaalsContact OD1-CB 3.29Å; N358-D360 WeakPolarHBondContact OD1-CB 3.18Å; N358-D360 PolarHBondContact OD1-N 3.45Å; N358-V361 HydrophobicContact CB-CG2 4Å; N358-V361 PolarHBondContact O-N 3.31Å; N358-V361 PolarHBondContact OD1-N 2.98Å; N358-V362 PolarHBondContact O-N 2.89Å
359L84.9Confident66Low111 Ų111125.8 Ų125.858%0.58166%0.659SS**Hα-helixtrans-62.4-28.1-177.1-66.7174000112.4V357 V361 V362 F363V357-L359 PolarHBondContact O-N 3.07Å; V357-L359 VanDerWaalsContact O-N 3.11Å; L359-V361 VanDerWaalsContact C-N 3.32Å; L359-V361 PolarHBondContact O-N 3.39Å; L359-V362 WeakPolarHBondContact O-CB 3.38Å; L359-V362 PolarHBondContact O-N 3.46Å; L359-V362 VanDerWaalsContact O-N 3.16Å; L359-F363 HydrophobicContact CB-CD2 4.41Å; L359-F363 HydrophobicContact CB-CE2 4.14Å; L359-F363 WeakPolarHBondContact O-CD2 3.33Å; L359-F363 PolarHBondContact O-N 3.38Å
360D81.6Confident67.9Low119 Ų119127.7 Ų127.764%0.63666%0.657SS**Hα-helixtrans-66-37.6177.8-63.2-25.2000111.2N358 V362 F363 Q364N358-D360 PolarHBondContact O-N 2.97Å; N358-D360 VanDerWaalsContact OD1-CB 3.29Å; N358-D360 WeakPolarHBondContact OD1-CB 3.18Å; N358-D360 PolarHBondContact OD1-N 3.45Å; D360-V362 VanDerWaalsContact C-N 3.31Å; D360-V362 PolarHBondContact O-N 3.07Å; D360-F363 PolarHBondContact O-N 3.3Å; D360-Q364 WeakPolarHBondContact O-CB 3.48Å; D360-Q364 PolarHBondContact O-N 3.47Å
361V81.3Confident69.4Low78 Ų78125.8 Ų125.847%0.47365%0.648SS.*Hα-helixtrans-65.9-37.4174.9-179.10000110.6N358 L359 Q364 I365N358-V361 HydrophobicContact CB-CG2 4Å; N358-V361 PolarHBondContact O-N 3.31Å; N358-V361 PolarHBondContact OD1-N 2.98Å; L359-V361 VanDerWaalsContact C-N 3.32Å; L359-V361 PolarHBondContact O-N 3.39Å; V361-Q364 PolarHBondContact O-N 2.92Å; V361-I365 HydrophobicContact CG1-CD1 3.92Å; V361-I365 HydrophobicContact CG1-CG1 4.49Å; V361-I365 WeakPolarHBondContact O-CD1 3.21Å; V361-I365 WeakPolarHBondContact O-CG1 3.43Å; V361-I365 PolarHBondContact O-N 3.23Å
362V82.9Confident70.3Confident71 Ų71121.4 Ų121.443%0.4363%0.634SS.*Hα-helixtrans-66.1-43.7177.3179.30000111.2V357 N358 L359 D360 Q364 I365 A366V357-V362 HydrophobicContact CG1-CG2 3.82Å; N358-V362 PolarHBondContact O-N 2.89Å; L359-V362 WeakPolarHBondContact O-CB 3.38Å; L359-V362 PolarHBondContact O-N 3.46Å; L359-V362 VanDerWaalsContact O-N 3.16Å; D360-V362 VanDerWaalsContact C-N 3.31Å; D360-V362 PolarHBondContact O-N 3.07Å; V362-Q364 VanDerWaalsContact C-N 3.32Å; V362-I365 PolarHBondContact O-N 3.01Å; V362-A366 PolarHBondContact O-N 3.42Å
363F83.2Confident70.7Confident137 Ų137120 Ų12060%0.60163%0.63SS**Hα-helixtrans-66.1-36.6176.1-72.2-62.3000112L359 D360 A366 D367L359-F363 HydrophobicContact CB-CD2 4.41Å; L359-F363 HydrophobicContact CB-CE2 4.14Å; L359-F363 WeakPolarHBondContact O-CD2 3.33Å; L359-F363 PolarHBondContact O-N 3.38Å; D360-F363 PolarHBondContact O-N 3.3Å; F363-A366 PolarHBondContact O-N 2.99Å; F363-D367 PolarHBondContact O-N 3.43Å
364Q84.1Confident71.4Confident141 Ų141116.8 Ų116.866%0.65963%0.629SS**Hα-helixtrans-68.1-39.5177.7-166139.828.900112.7D360 V361 V362 A366 D367 E368D360-Q364 WeakPolarHBondContact O-CB 3.48Å; D360-Q364 PolarHBondContact O-N 3.47Å; V361-Q364 PolarHBondContact O-N 2.92Å; V362-Q364 VanDerWaalsContact C-N 3.32Å; Q364-A366 VanDerWaalsContact C-N 3.33Å; Q364-D367 PolarHBondContact O-N 2.93Å; Q364-E368 WeakPolarHBondContact O-CB 3.3Å; Q364-E368 PolarHBondContact O-N 2.77Å
365I85.1Confident71.5Confident95 Ų95111.4 Ų111.449%0.48763%0.626SS.*Hα-helixtrans-63.9-40.9173.3-67.4162.9000110.6V361 V362 E368 V369V361-I365 HydrophobicContact CG1-CD1 3.92Å; V361-I365 HydrophobicContact CG1-CG1 4.49Å; V361-I365 WeakPolarHBondContact O-CD1 3.21Å; V361-I365 WeakPolarHBondContact O-CG1 3.43Å; V361-I365 PolarHBondContact O-N 3.23Å; V362-I365 PolarHBondContact O-N 3.01Å; I365-E368 PolarHBondContact O-N 3.23Å; I365-V369 HydrophobicContact CG2-CG2 4.48Å; I365-V369 VanDerWaalsContact O-CG2 3.31Å; I365-V369 WeakPolarHBondContact O-CG2 3.45Å; I365-V369 PolarHBondContact O-N 2.95Å
366A79.5Confident71.3Confident49 Ų49109.9 Ų109.941%0.40562%0.624SS.*Hα-helixtrans-64.3-43.7178.100000111.6V362 F363 Q364 E368 V369 M370V362-A366 PolarHBondContact O-N 3.42Å; F363-A366 PolarHBondContact O-N 2.99Å; Q364-A366 VanDerWaalsContact C-N 3.33Å; A366-E368 VanDerWaalsContact C-N 3.34Å; A366-E368 PolarHBondContact O-N 3.5Å; A366-V369 PolarHBondContact O-N 3.04Å; A366-M370 WeakPolarHBondContact O-CB 3.39Å; A366-M370 WeakPolarHBondContact O-CG 3.31Å; A366-M370 PolarHBondContact O-N 3.38Å
367D78.3Confident70.6Confident99 Ų99106.6 Ų106.653%0.52962%0.62SS.*Hα-helixtrans-65-37.4176.4-88.9-0.3000112.1F363 Q364 M370 Q371F363-D367 PolarHBondContact O-N 3.43Å; Q364-D367 PolarHBondContact O-N 2.93Å; D367-M370 PolarHBondContact O-N 3.03Å; D367-Q371 VanDerWaalsContact O-CB 3.3Å; D367-Q371 WeakPolarHBondContact O-CB 3.42Å; D367-Q371 WeakPolarHBondContact O-CG 3.19Å; D367-Q371 PolarHBondContact O-N 3.18Å; D367-Q371 PolarHBondContact O-NE2 3.37Å
368E81.7Confident69.6Low128 Ų128109.4 Ų109.460%0.59863%0.631SS**Hα-helixtrans-65-46.6176-169.5176.4174.900111.5Q364 I365 A366 M370 Q371 T372Q364-E368 WeakPolarHBondContact O-CB 3.3Å; Q364-E368 PolarHBondContact O-N 2.77Å; I365-E368 PolarHBondContact O-N 3.23Å; A366-E368 VanDerWaalsContact C-N 3.34Å; A366-E368 PolarHBondContact O-N 3.5Å; E368-M370 VanDerWaalsContact C-N 3.3Å; E368-M370 PolarHBondContact O-N 3.02Å; E368-Q371 PolarHBondContact O-N 3.46Å; E368-T372 WeakPolarHBondContact O-CG2 3.14Å; E368-T372 PolarHBondContact O-N 3.34Å
369V76.2Confident67.7Low95 Ų95110.4 Ų110.458%0.57664%0.64SS**Hα-helixtrans-61.5-39.9177.2170.50000111.4I365 A366 Q371 T372I365-V369 HydrophobicContact CG2-CG2 4.48Å; I365-V369 VanDerWaalsContact O-CG2 3.31Å; I365-V369 WeakPolarHBondContact O-CG2 3.45Å; I365-V369 PolarHBondContact O-N 2.95Å; A366-V369 PolarHBondContact O-N 3.04Å; V369-Q371 VanDerWaalsContact C-N 3.3Å; V369-Q371 PolarHBondContact O-N 3.47Å; V369-T372 PolarHBondContact O-OG1 2.92Å
370M72.6Confident65.8Low159 Ų159114 Ų11478%0.78365%0.651SS**Hα-helixtrans-74.9-21.2-179.6-64.5-68.1-88.700112.9A366 D367 E368A366-M370 WeakPolarHBondContact O-CB 3.39Å; A366-M370 WeakPolarHBondContact O-CG 3.31Å; A366-M370 PolarHBondContact O-N 3.38Å; D367-M370 PolarHBondContact O-N 3.03Å; E368-M370 VanDerWaalsContact C-N 3.3Å; E368-M370 PolarHBondContact O-N 3.02Å
371Q69.2Low63.9Low152 Ų152114 Ų11471%0.7166%0.655SS**Hα-helixtrans-94.4-10.8177.4-70.6177.558.800113.7D367 E368 V369 S373D367-Q371 VanDerWaalsContact O-CB 3.3Å; D367-Q371 WeakPolarHBondContact O-CB 3.42Å; D367-Q371 WeakPolarHBondContact O-CG 3.19Å; D367-Q371 PolarHBondContact O-N 3.18Å; D367-Q371 PolarHBondContact O-NE2 3.37Å; E368-Q371 PolarHBondContact O-N 3.46Å; V369-Q371 VanDerWaalsContact C-N 3.3Å; V369-Q371 PolarHBondContact O-N 3.47Å; Q371-S373 PolarHBondContact O-N 3.25Å
372T53.6Low61.9Low93 Ų93118.5 Ų118.557%0.57167%0.671SS**SBendtrans-73.2111169.656.80000111.2E368 V369E368-T372 WeakPolarHBondContact O-CG2 3.14Å; E368-T372 PolarHBondContact O-N 3.34Å; V369-T372 PolarHBondContact O-OG1 2.92Å
373S54.3Low59.6Low106 Ų106120 Ų12074%0.74169%0.685SS**  trans-63.7136.2171.9178.70000110.7Q371 G375Q371-S373 PolarHBondContact O-N 3.25Å; S373-G375 VanDerWaalsContact C-N 3.33Å; S373-G375 PolarHBondContact O-N 2.85Å
374P54.5Low57.4Low130 Ų130118.4 Ų118.484%0.84470%0.697SS**  trans-73.986.1179.129.4-31.2000110.2
375G45.6Very low55.2Low72 Ų72120.9 Ų120.974%0.74271%0.708SS**  trans-74.2120171.200000111.1S373 C377S373-G375 VanDerWaalsContact C-N 3.33Å; S373-G375 PolarHBondContact O-N 2.85Å; G375-C377 PolarHBondContact O-N 3.45Å
376A45.2Very low52.9Low91 Ų91126 Ų12675%0.75273%0.727SS**  trans-50.3124.7-174.800000115.3
377C42.1Very low50.8Low117 Ų117129 Ų12979%0.79174%0.743SS**  trans-103.480.6154.7-166.50000108.2G375 V379G375-C377 PolarHBondContact O-N 3.45Å; C377-V379 PolarHBondContact O-N 3.42Å
378L47Very low48.5Very low164 Ų164130.9 Ų130.986%0.85976%0.757SS**  trans-78.894.1166.7-80.7167.8000108.1K380L378-K380 PolarHBondContact O-N 3.22Å
379V38.6Very low46.2Very low111 Ų111129.5 Ų129.567%0.67376%0.762SS**  trans-78.2112.5164176.20000107.7C377 V381C377-V379 PolarHBondContact O-N 3.42Å; V379-V381 PolarHBondContact O-N 3.38Å; V379-V381 VanDerWaalsContact O-N 3.16Å
380K46.1Very low44.4Very low187 Ų187131.6 Ų131.681%0.81377%0.774SS**  trans-66.8103.7174.6-177.6176.1178.8-178.70109.2L378L378-K380 PolarHBondContact O-N 3.22Å
381V41.3Very low42.7Very low118 Ų118129.8 Ų129.872%0.71577%0.774SS**  trans-90.2106.1165.61770000108V379 S383V379-V381 PolarHBondContact O-N 3.38Å; V379-V381 VanDerWaalsContact O-N 3.16Å; V381-S383 PolarHBondContact O-N 3.16Å
382E38.8Very low41.2Very low173 Ų173130.3 Ų130.381%0.80878%0.781SS**  trans-68.5119.6170.1-175165.5-179.200109.2
383S35.4Very low40.5Very low104 Ų104131.7 Ų131.773%0.72779%0.792SS**  trans-116.6112.7173.3-58.90000108.2V381V381-S383 PolarHBondContact O-N 3.16Å
384A36.9Very low39.4Very low102 Ų102131.5 Ų131.584%0.84380%0.796SS**  trans-68.7127.7177.300000110.9
385E38.1Very low38.7Very low193 Ų193130.7 Ų130.790%0.90279%0.794SS**  trans-69.7139.3168.7-72.3-179.1144.600111.2
386K36.3Very low38.2Very low203 Ų203134.1 Ų134.188%0.88380%0.795SS**  trans-143.9129.8146-155.1171.2-175.2-179.90109.9
387P35.4Very low38.4Very low113 Ų113135 Ų13573%0.73479%0.793SS**  trans-89.7178.4-171.137.6-35.6000111.8
388V29.7Very low38.7Very low137 Ų137140 Ų14083%0.8380%0.795SS**  trans122.2127.8167.4170.20000109.8
389S33.3Very low38.3Very low100 Ų100140.1 Ų140.170%0.69980%0.797SS**  cis-167.4142.3-9.4-810000105.8
390V38.8Very low38.4Very low139 Ų139139.8 Ų139.884%0.84281%0.806SS**  trans-80135.1173.3175.70000109.9
391P36.8Very low38.5Very low120 Ų120137.9 Ų137.978%0.77981%0.809SS**  trans-104.5133.2154.7-2.623.2000111.7
392L38.7Very low38.7Very low163 Ų163136.6 Ų136.685%0.85381%0.811SS**PPolyproline II helixtrans-58.3161.6171.1-87.8149.2000113.3
393P38.8Very low38.6Very low122 Ų122137.6 Ų137.679%0.79281%0.813SS**PPolyproline II helixtrans-79.9131.8-168.832.8-32.1000111.4
394A30.9Very low38.8Very low102 Ų102140.4 Ų140.484%0.84382%0.82SS**PPolyproline II helixtrans-97.1126.5167.700000110.1
395S38Very low38.9Very low113 Ų113141.4 Ų141.479%0.7982%0.82SS**  trans-70.1113.717044.90000111.8
396D37.1Very low39Very low145 Ų145143.8 Ų143.878%0.77582%0.821SS**  trans-174.6141133.6-118.8-31.9000111.3
397P48.7Very low39.1Very low108 Ų108139.5 Ų139.570%0.70181%0.812SS**  trans-100.792-177.534.8-22.3000109.4
398R47.3Very low39.3Very low223 Ų223141.1 Ų141.184%0.84282%0.819SS**  trans-171.878.4165-107.4178.4-69.7-156.66.9108.7
399D39.5Very low39.9Very low167 Ų167143.1 Ų143.189%0.89382%0.82SS**  trans-172.237.5157.3-90.6-23.5000112V401D399-V401 VanDerWaalsContact C-N 3.32Å; D399-V401 PolarHBondContact O-N 3.5Å
400A40.6Very low40.2Very low103 Ų103146.8 Ų146.885%0.85183%0.831SS**  trans-93.937.3177.800000113.1
401V48Very low39.9Very low147 Ų147146.2 Ų146.289%0.89183%0.833SS**SBendtrans-138.754.1173.6-162.10000110.8D399D399-V401 VanDerWaalsContact C-N 3.32Å; D399-V401 PolarHBondContact O-N 3.5Å
402A45.2Very low39.9Very low92 Ų92145.2 Ų145.276%0.7683%0.828SS**SBendtrans-153.915.8167.500000114.5
403F36.7Very low39.7Very low193 Ų193146.4 Ų146.485%0.84683%0.827SS**SBendtrans-123.36.9-175.4-112-89000115.8
404L39.6Very low39.8Very low164 Ų164147.8 Ų147.886%0.85983%0.826SS**SBendtrans-111.441.1175.9-73173.6000112.8
405S39.4Very low40.1Very low123 Ų123148.1 Ų148.186%0.8682%0.82SS**SBendtrans-134.918.6168.7-63.50000113.6
406R39.4Very low40Very low242 Ų242154.6 Ų154.691%0.91383%0.827SS**SBendtrans-141.428.5179.3-117.1179-169.4-164.32.4116.3
407T38.9Very low40Very low113 Ų113156.1 Ų156.169%0.69383%0.829SS**  trans-133.129.8177.425.50000113.9
408V38.8Very low39.5Very low147 Ų147160.2 Ų160.289%0.89184%0.836SS**SBendtrans-122.755.9162.2-168.40000109.4
409Q43.9Very low38.9Very low180 Ų180158.2 Ų158.284%0.84184%0.836SS**SBendtrans-149.3105.2157.6-103.8-165.5-3300106.2
410L38.2Very low38.8Very low177 Ų177160.5 Ų160.593%0.92784%0.839SS**  trans134.578.6165.3-75.2155.5000111.9
411S32.3Very low38.6Very low127 Ų127167 Ų16789%0.88886%0.86SS**  trans-160.655.214757.60000110.9
412S36.8Very low38.1Very low98 Ų98168.1 Ų168.169%0.68586%0.858SS**  trans-93.6148.9151.146.90000108.1
413F35.4Very low37.8Very low189 Ų189172.1 Ų172.183%0.82986%0.863SS**  trans101.587.8-178.4-73.2-92.1000116.7
414I41.8Very low37.8Very low151 Ų151170.9 Ų170.977%0.77486%0.864SS**  trans-133.1115143-58.1179.4000107.1
415P36Very low37.7Very low109 Ų109171.3 Ų171.371%0.70886%0.864SS**  trans-84.5129.1169.3414.2000109.7
416W36.7Very low37.6Very low249 Ų249174.3 Ų174.394%0.94387%0.865SS**  trans-110.788.3166.6-92.922.8000109.4
417E37.1Very low37.5Very low176 Ų176169.8 Ų169.882%0.82286%0.862SS**  trans-102.6151.7153.4-88.8-171151.900109
418K37.7Very low37.4Very low195 Ų195173.9 Ų173.985%0.84887%0.874SS**  trans88.498.9174.2-53.3-173.9-179.2-176.30115.7
419Q35.3Very low37.3Very low180 Ų180175.9 Ų175.984%0.84187%0.872SS**  172.8103.5118.3-94.8171.23.800108.9
420F37.7Very low36.7Very low215 Ų215175.6 Ų175.694%0.94388%0.875SS**  trans-164.194.8140.9-88.1-65.3000107
421N36Very low36.6Very low241 Ų241175.5 Ų175.5100%1.28987%0.87SS**  trans-100.80141.8-124.8-2000105.6

Retrieved 421 of 421 residues in 756.6 ms (Link to these results)

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