F6PPM6_MACMU Loading...

Paired box protein Pax-8

AlphaFold DB , UniProt , Accession F6PPM6, Species MACMU (Macaca mulatta, Rhesus macaque), Gene PAX8, Length 456 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M36.5Very low47.7Very low221 Ų221139.3 Ų139.3100%1.08977%0.772SS**  0138.80-65.6177.5176.200109.1H3M1-H3 PolarHBondContact O-N 2.68Å
2P41.3Very low50.6Low126 Ų126129.6 Ų129.682%0.81873%0.727SS**  trans-77.6109.5176.830.2-32.4000111.3N4P2-N4 PolarHBondContact O-N 2.84Å
3H41.3Very low53.5Low192 Ų192129.9 Ų129.989%0.88973%0.725SS**  trans-75.969.7172.9-99.1-102.1000111.6M1M1-H3 PolarHBondContact O-N 2.68Å
4N47.4Very low55.9Low124 Ų124123.4 Ų123.466%0.66369%0.688SS**  trans-134.254.2166.1-161.815.3000111.2P2 I6P2-N4 PolarHBondContact O-N 2.84Å; N4-I6 PolarHBondContact O-N 3.29Å
5S37.3Very low58.1Low115 Ų115128.9 Ų128.980%0.80471%0.706SS**  trans-71.585.7168.6-171.60000108.9R7S5-R7 VanDerWaalsContact C-N 3.35Å; S5-R7 PolarHBondContact O-N 3.16Å
6I47.6Very low59.9Low128 Ų128125.3 Ų125.366%0.65669%0.686SS**  trans-62.898.1171.6-59.7172.1000106.8N4 S8N4-I6 PolarHBondContact O-N 3.29Å; I6-S8 PolarHBondContact O-N 3.49Å; I6-S8 VanDerWaalsContact O-N 3.14Å
7R45.2Very low61.3Low228 Ų228119.8 Ų119.886%0.8667%0.665SS**  trans-51.6123.3170.7-74.5-177.6172.2-121.11108.2S5 G9S5-R7 VanDerWaalsContact C-N 3.35Å; S5-R7 PolarHBondContact O-N 3.16Å; R7-G9 PolarHBondContact O-N 2.88Å
8S49.4Very low62.8Low114 Ų114113.6 Ų113.680%0.79763%0.632SS**  trans-64.971.7-178-54.60000112.4I6 H10I6-S8 PolarHBondContact O-N 3.49Å; I6-S8 VanDerWaalsContact O-N 3.14Å; S8-H10 PolarHBondContact O-N 3.13Å
9G52.3Low64.2Low46 Ų46112 Ų11247%0.47464%0.635SS.*  trans-78.565.9-175.800000112.5R7 G11R7-G9 PolarHBondContact O-N 2.88Å; G9-G11 PolarHBondContact O-N 2.9Å; G9-G11 VanDerWaalsContact O-N 3.09Å
10H61.5Low65.3Low179 Ų179110.1 Ų110.183%0.82962%0.62SS**  trans3562.1163.1-64.982000114S8 G12S8-H10 PolarHBondContact O-N 3.13Å; H10-G12 PolarHBondContact O-N 2.71Å; H10-G12 VanDerWaalsContact O-N 3.17Å
11G65.3Low66.3Low59 Ų59107.9 Ų107.961%0.60861%0.609SS**  trans-67.7110.2175.600000109.9G9 F20G9-G11 PolarHBondContact O-N 2.9Å; G9-G11 VanDerWaalsContact O-N 3.09Å; G11-F20 CarbonylContact C-O 3.56Å; G11-F20 WeakPolarHBondContact CA-O 3.44Å
12G81.8Confident68.6Low23 Ų23103.6 Ų103.624%0.23759%0.59CS.*EExtended strand (participates in β ladder)trans-75.814717400000110.6H10 A19 F20H10-G12 PolarHBondContact O-N 2.71Å; H10-G12 VanDerWaalsContact O-N 3.17Å; G12-A19 CarbonylContact O-C 3.56Å; G12-A19 WeakPolarHBondContact O-CA 3.33Å; G12-F20 PolarHBondContact N-O 3.46Å; G12-F20 WeakPolarHBondContact O-CD1 3.38Å; G12-F20 PolarHBondContact O-N 2.98Å
13L88.3Confident70.5Confident134 Ų134101.2 Ų101.270%0.70259%0.588SS**EExtended strand (participates in β ladder)trans-94130.4160.5-62.8-178000108.3A19L13-A19 HydrophobicContact CD2-CB 4.25Å
14N87.2Confident72.7Confident38 Ų38101.2 Ų101.220%0.20358%0.581CS.*PPolyproline II helixtrans-81.3172.3172.567.835.9000110.8L16 G17 G18 F20 R52N14-L16 PolarHBondContact O-N 3.46Å; N14-L16 WeakPolarHBondContact OD1-CA 3.21Å; N14-L16 WeakPolarHBondContact OD1-CB 3.4Å; N14-L16 PolarHBondContact OD1-N 2.96Å; N14-G17 PolarHBondContact O-N 2.63Å; N14-G17 PolarHBondContact OD1-N 3.2Å; N14-G18 VanDerWaalsContact CG-O 3.26Å; N14-G18 PolarHBondContact N-O 2.75Å; N14-G18 PolarHBondContact ND2-O 2.83Å; N14-G18 PolarHBondContact OD1-N 3.47Å; N14-F20 HydrophobicContact CB-CD1 3.89Å; N14-F20 HydrophobicContact CB-CE1 3.94Å; N14-R52 PolarHBondContact ND2-O 2.97Å; N14-R52 PolarHBondContact OD1-O 3.44Å
15Q88.8Confident74.6Confident207 Ų20798.4 Ų98.497%0.96757%0.569SS**THydrogen-bonded Turntrans-60.1-14.5-179.9-67.8173-15.200114.6
16L86.8Confident77.1Confident71 Ų7194.5 Ų94.537%0.37254%0.539SS..THydrogen-bonded Turntrans-95.55.7175.6-57.7169.7000112.2N14 G18 R52 V53N14-L16 PolarHBondContact O-N 3.46Å; N14-L16 WeakPolarHBondContact OD1-CA 3.21Å; N14-L16 WeakPolarHBondContact OD1-CB 3.4Å; N14-L16 PolarHBondContact OD1-N 2.96Å; L16-G18 VanDerWaalsContact C-N 3.32Å; L16-G18 PolarHBondContact O-N 3.02Å; L16-R52 HydrophobicContact CB-CB 4.11Å; L16-R52 WeakPolarHBondContact O-CB 3.43Å; L16-R52 VanDerWaalsContact O-CD 3.27Å; L16-R52 WeakPolarHBondContact O-CD 3.27Å; L16-R52 VanDerWaalsContact O-CG 3.31Å; L16-R52 WeakPolarHBondContact O-CG 3.36Å; L16-V53 WeakPolarHBondContact CD1-O 3.48Å
17G84.8Confident79.1Confident32 Ų3292.2 Ų92.233%0.3353%0.533SS..SBendtrans70.924.5-17700000113.8N14 R52N14-G17 PolarHBondContact O-N 2.63Å; N14-G17 PolarHBondContact OD1-N 3.2Å; G17-R52 VanDerWaalsContact O-CD 3.27Å; G17-R52 WeakPolarHBondContact O-CD 3.5Å; G17-R52 PolarHBondContact O-NH1 3.41Å
18G87.4Confident81.3Confident8 Ų885.2 Ų85.28%0.08251%0.51CS..  trans-100136.9176.100000112.1N14 L16N14-G18 VanDerWaalsContact CG-O 3.26Å; N14-G18 PolarHBondContact N-O 2.75Å; N14-G18 PolarHBondContact ND2-O 2.83Å; N14-G18 PolarHBondContact OD1-N 3.47Å; L16-G18 VanDerWaalsContact C-N 3.32Å; L16-G18 PolarHBondContact O-N 3.02Å
19A88.8Confident83.4Confident83 Ų8385.4 Ų85.469%0.68651%0.505SS*.EExtended strand (participates in β ladder)trans-75135.2178.300000111.8G12 L13G12-A19 CarbonylContact O-C 3.56Å; G12-A19 WeakPolarHBondContact O-CA 3.33Å; L13-A19 HydrophobicContact CD2-CB 4.25Å
20F87.8Confident85.3Confident74 Ų7485.1 Ų85.133%0.32550%0.495SS..EExtended strand (participates in β ladder)trans-143.8160.8175.675.9-77.7000111.4G11 G12 N14G11-F20 CarbonylContact C-O 3.56Å; G11-F20 WeakPolarHBondContact CA-O 3.44Å; G12-F20 PolarHBondContact N-O 3.46Å; G12-F20 WeakPolarHBondContact O-CD1 3.38Å; G12-F20 PolarHBondContact O-N 2.98Å; N14-F20 HydrophobicContact CB-CD1 3.89Å; N14-F20 HydrophobicContact CB-CE1 3.94Å
21V86.3Confident86.8Confident64 Ų6477.3 Ų77.339%0.38846%0.458SS..  trans-121.3119.3176.5-177.60000108.7R24V21-R24 HydrophobicContact CB-CB 4.26Å; V21-R24 HydrophobicContact CB-CG 4.49Å; V21-R24 HydrophobicContact CG1-CB 4.29Å; V21-R24 HydrophobicContact CG1-CG 3.99Å; V21-R24 PolarHBondContact O-N 2.89Å
22N84.4Confident88.2Confident131 Ų13178.9 Ų78.970%0.70145%0.449SS*.THydrogen-bonded Turntrans-57.6138.9179.9-94.5-42.7000111.6R24N22-R24 PolarHBondContact O-N 3.2Å
23G81.8Confident88.8Confident76 Ų7682.5 Ų82.578%0.78446%0.456SS*.THydrogen-bonded Turntrans71.4-0.9-179.200000116
24R85.6Confident89.2Confident192 Ų19276.1 Ų76.173%0.72542%0.422SS*.SBendtrans-108.2147.6175.7-65.7-165.8178.2-157.9-3.5111.9V21 N22V21-R24 HydrophobicContact CB-CB 4.26Å; V21-R24 HydrophobicContact CB-CG 4.49Å; V21-R24 HydrophobicContact CG1-CB 4.29Å; V21-R24 HydrophobicContact CG1-CG 3.99Å; V21-R24 PolarHBondContact O-N 2.89Å; N22-R24 PolarHBondContact O-N 3.2Å
25P88.3Confident89.5Confident65 Ų6574.5 Ų74.542%0.42241%0.414SS..PPolyproline II helixtrans-66.2150.817229-34.7000111.1P73 I76P25-P73 HydrophobicContact CB-CB 3.58Å; P25-P73 HydrophobicContact CB-CG 4.01Å; P25-P73 HydrophobicContact CG-CB 4.15Å; P25-P73 HydrophobicContact CG-CG 4.11Å; P25-I76 HydrophobicContact CB-CD1 4.31Å
26L88.9Confident89.9Confident33 Ų3367.6 Ų67.617%0.17338%0.383CS..PPolyproline II helixtrans-57.5143.8174-167.369.7000110.5V30 R31 I34 V53 I61L26-V30 HydrophobicContact CD1-CG1 4.43Å; L26-V30 HydrophobicContact CD2-CB 4.11Å; L26-V30 HydrophobicContact CD2-CG1 3.79Å; L26-V30 HydrophobicContact CG-CB 4.08Å; L26-V30 HydrophobicContact CG-CG1 4.16Å; L26-R31 HydrophobicContact CB-CG 4.19Å; L26-R31 HydrophobicContact CD2-CG 4.15Å; L26-R31 HydrophobicContact CG-CG 4.48Å; L26-R31 VanDerWaalsContact O-CZ 3.32Å; L26-R31 PolarHBondContact O-NE 3.27Å; L26-R31 PolarHBondContact O-NH2 2.73Å; L26-I34 HydrophobicContact CD2-CD1 3.84Å; L26-V53 HydrophobicContact CD1-CG2 4.34Å; L26-V53 HydrophobicContact CD2-CG1 4.02Å; L26-V53 HydrophobicContact CD2-CG2 4.1Å; L26-I61 HydrophobicContact CD2-CD1 3.79Å
27P90.8Very high90.3Very high80 Ų8064.4 Ų64.452%0.51937%0.367SS..PPolyproline II helixtrans-56.8146.8-179.6-2735.7000113.6V29 V30 R31P27-V29 VanDerWaalsContact C-N 3.3Å; P27-V29 PolarHBondContact O-N 2.88Å; P27-V30 HydrophobicContact CB-CG2 4.31Å; P27-V30 PolarHBondContact O-N 3Å; P27-V30 VanDerWaalsContact O-N 3.09Å; P27-R31 PolarHBondContact O-N 3.42Å; P27-R31 VanDerWaalsContact O-N 3.09Å
28E91.4Very high90.8Very high81 Ų8163.6 Ų63.638%0.37936%0.357SS..Hα-helixtrans-54.6-44.7-176.5-154.871.1-140.400112.1V30 R31 Q32 I71E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 2.9Å; E28-R31 PolarHBondContact O-N 3.49Å; E28-R31 VanDerWaalsContact O-N 3.09Å; E28-R31 IonicContact OE1-CZ 2.78Å; E28-R31 IonicContact OE1-NH1 3.9Å; E28-R31 PolarHBondContact OE1-NH1 3.24Å; E28-R31 IonicContact OE1-NH2 3.72Å; E28-R31 IonicContact OE2-CZ 2.99Å; E28-R31 VanDerWaalsContact OE2-CZ 3.26Å; E28-R31 IonicContact OE2-NH1 2.67Å; E28-R31 PolarHBondContact OE2-NH1 3.4Å; E28-R31 IonicContact OE2-NH2 3.75Å; E28-R31 PolarHBondContact OE2-NH2 3.36Å; E28-Q32 PolarHBondContact O-N 2.92Å; E28-I71 HydrophobicContact CG-CD1 4.23Å; E28-I71 WeakPolarHBondContact OE1-CD1 3.4Å
29V92.4Very high91.1Very high117 Ų11768.7 Ų68.771%0.70938%0.379SS*.Hα-helixtrans-58.4-40179.5-176.60000112P27 R33P27-V29 VanDerWaalsContact C-N 3.3Å; P27-V29 PolarHBondContact O-N 2.88Å; V29-R33 WeakPolarHBondContact O-CB 3.47Å; V29-R33 PolarHBondContact O-N 3.04Å
30V92.9Very high91.5Very high41 Ų4170.3 Ų70.325%0.24837%0.372CS..Hα-helixtrans-75.8-32.5179.1-170.40000110.8L26 P27 E28 R33 I34 L51 V53L26-V30 HydrophobicContact CD1-CG1 4.43Å; L26-V30 HydrophobicContact CD2-CB 4.11Å; L26-V30 HydrophobicContact CD2-CG1 3.79Å; L26-V30 HydrophobicContact CG-CB 4.08Å; L26-V30 HydrophobicContact CG-CG1 4.16Å; P27-V30 HydrophobicContact CB-CG2 4.31Å; P27-V30 PolarHBondContact O-N 3Å; P27-V30 VanDerWaalsContact O-N 3.09Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 2.9Å; V30-R33 PolarHBondContact O-N 2.95Å; V30-I34 HydrophobicContact CG1-CD1 4.44Å; V30-I34 VanDerWaalsContact O-CG1 3.31Å; V30-I34 WeakPolarHBondContact O-CG1 3.4Å; V30-I34 PolarHBondContact O-N 2.72Å; V30-L51 HydrophobicContact CG1-CD1 4.43Å; V30-V53 HydrophobicContact CG1-CG2 3.75Å
31R94.1Very high91.7Very high15 Ų1569.7 Ų69.76%0.05739%0.387CS..Hα-helixtrans-68.6-39.9173.4-78.2-172.6-8096.77.9112.8L26 P27 E28 V35 I61 I71L26-R31 HydrophobicContact CB-CG 4.19Å; L26-R31 HydrophobicContact CD2-CG 4.15Å; L26-R31 HydrophobicContact CG-CG 4.48Å; L26-R31 VanDerWaalsContact O-CZ 3.32Å; L26-R31 PolarHBondContact O-NE 3.27Å; L26-R31 PolarHBondContact O-NH2 2.73Å; P27-R31 PolarHBondContact O-N 3.42Å; P27-R31 VanDerWaalsContact O-N 3.09Å; E28-R31 PolarHBondContact O-N 3.49Å; E28-R31 VanDerWaalsContact O-N 3.09Å; E28-R31 IonicContact OE1-CZ 2.78Å; E28-R31 IonicContact OE1-NH1 3.9Å; E28-R31 PolarHBondContact OE1-NH1 3.24Å; E28-R31 IonicContact OE1-NH2 3.72Å; E28-R31 IonicContact OE2-CZ 2.99Å; E28-R31 VanDerWaalsContact OE2-CZ 3.26Å; E28-R31 IonicContact OE2-NH1 2.67Å; E28-R31 PolarHBondContact OE2-NH1 3.4Å; E28-R31 IonicContact OE2-NH2 3.75Å; E28-R31 PolarHBondContact OE2-NH2 3.36Å; R31-V35 PolarHBondContact O-N 2.89Å; R31-I61 HydrophobicContact CG-CD1 3.79Å; R31-I61 HydrophobicContact CG-CG1 4.22Å; R31-I61 HydrophobicContact CG-CG2 4.42Å; R31-I71 HydrophobicContact CB-CB 4.48Å; R31-I71 HydrophobicContact CB-CD1 3.97Å; R31-I71 WeakPolarHBondContact CD-O 3.5Å; R31-I71 PolarHBondContact NH1-O 2.95Å
32Q94.4Very high92.2Very high91 Ų9168.8 Ų68.843%0.42538%0.381SS..Hα-helixtrans-59.7-51.2168.5-69.8-65.523.900110.1E28 I34 V35 D36 I71E28-Q32 PolarHBondContact O-N 2.92Å; Q32-I34 PolarHBondContact O-N 3.4Å; Q32-I34 VanDerWaalsContact O-N 3.13Å; Q32-V35 CarbonylContact O-C 3.59Å; Q32-V35 WeakPolarHBondContact O-CA 3.23Å; Q32-V35 WeakPolarHBondContact O-CB 3.24Å; Q32-V35 PolarHBondContact O-N 3.45Å; Q32-D36 PolarHBondContact O-N 3.14Å; Q32-I71 HydrophobicContact CB-CD1 4.34Å; Q32-I71 HydrophobicContact CG-CD1 3.51Å
33R94.8Very high92.7Very high99 Ų9970.7 Ų70.737%0.37438%0.379SS..Hα-helixtrans-62.2-28.2-175.3-166.259.8-178.8170.83.1114.2V29 V30 D36 L37 L51V29-R33 WeakPolarHBondContact O-CB 3.47Å; V29-R33 PolarHBondContact O-N 3.04Å; V30-R33 PolarHBondContact O-N 2.95Å; R33-D36 WeakPolarHBondContact CA-OD2 3.34Å; R33-D36 WeakPolarHBondContact CD-OD2 3.34Å; R33-D36 IonicContact NH1-OD2 3.59Å; R33-L37 HydrophobicContact CG-CD1 4.19Å; R33-L37 WeakPolarHBondContact O-CB 3.44Å; R33-L37 WeakPolarHBondContact O-CD1 3.46Å; R33-L37 VanDerWaalsContact O-CG 3.26Å; R33-L37 WeakPolarHBondContact O-CG 3.34Å; R33-L37 PolarHBondContact O-N 2.95Å; R33-L51 HydrophobicContact CB-CD1 4.15Å; R33-L51 HydrophobicContact CB-CD2 4.45Å; R33-L51 HydrophobicContact CG-CD1 4.06Å; R33-L51 HydrophobicContact CG-CD2 3.72Å
34I94.9Very high93.3Very high0 Ų069.8 Ų69.80%036%0.359CS..Hα-helixtrans-63.5-43.5170.5-76.5164.7000111.5L26 V30 Q32 A38 I47 L51 V53 V58 I61 L62L26-I34 HydrophobicContact CD2-CD1 3.84Å; V30-I34 HydrophobicContact CG1-CD1 4.44Å; V30-I34 VanDerWaalsContact O-CG1 3.31Å; V30-I34 WeakPolarHBondContact O-CG1 3.4Å; V30-I34 PolarHBondContact O-N 2.72Å; Q32-I34 PolarHBondContact O-N 3.4Å; Q32-I34 VanDerWaalsContact O-N 3.13Å; I34-A38 PolarHBondContact O-N 3.21Å; I34-I47 HydrophobicContact CB-CG2 4.35Å; I34-I47 HydrophobicContact CG1-CG2 3.95Å; I34-I47 HydrophobicContact CG2-CG2 4.43Å; I34-L51 HydrophobicContact CB-CD1 4.47Å; I34-L51 HydrophobicContact CG1-CD1 3.54Å; I34-V53 HydrophobicContact CD1-CG1 4.24Å; I34-V58 HydrophobicContact CD1-CG2 4.18Å; I34-V58 HydrophobicContact CG1-CG2 4.42Å; I34-V58 HydrophobicContact CG2-CG1 4.03Å; I34-I61 HydrophobicContact CB-CG2 4.44Å; I34-I61 HydrophobicContact CD1-CD1 3.54Å; I34-I61 HydrophobicContact CG2-CB 4.29Å; I34-I61 HydrophobicContact CG2-CG2 3.9Å; I34-L62 HydrophobicContact CG2-CD1 4.46Å; I34-L62 HydrophobicContact CG2-CD2 3.79Å; I34-L62 HydrophobicContact CG2-CG 3.86Å
35V94.9Very high93.8Very high4 Ų462.4 Ų62.42%0.02434%0.336CS..Hα-helixtrans-73-43.8178.4171.90000111.2R31 Q32 L37 A38 H39 L62 Y65 I71R31-V35 PolarHBondContact O-N 2.89Å; Q32-V35 CarbonylContact O-C 3.59Å; Q32-V35 WeakPolarHBondContact O-CA 3.23Å; Q32-V35 WeakPolarHBondContact O-CB 3.24Å; Q32-V35 PolarHBondContact O-N 3.45Å; V35-L37 VanDerWaalsContact C-N 3.27Å; V35-L37 PolarHBondContact O-N 3.09Å; V35-A38 PolarHBondContact O-N 2.93Å; V35-A38 VanDerWaalsContact O-N 3.11Å; V35-H39 WeakPolarHBondContact CG1-CE1 3.25Å; V35-H39 PolarHBondContact O-N 3.18Å; V35-L62 HydrophobicContact CG2-CD2 4.15Å; V35-Y65 HydrophobicContact CG1-CD1 3.84Å; V35-Y65 HydrophobicContact CG1-CD2 4.18Å; V35-Y65 HydrophobicContact CG1-CE1 3.63Å; V35-Y65 HydrophobicContact CG1-CE2 3.97Å; V35-Y65 HydrophobicContact CG1-CG 4.12Å; V35-Y65 HydrophobicContact CG2-CD1 4.11Å; V35-Y65 HydrophobicContact CG2-CD2 3.97Å; V35-Y65 HydrophobicContact CG2-CG 3.73Å; V35-I71 HydrophobicContact CB-CG2 4.41Å; V35-I71 HydrophobicContact CG2-CG2 3.66Å
36D95.8Very high94.1Very high62 Ų6262.1 Ų62.133%0.33233%0.331SS..Hα-helixtrans-50.8-49175.9-62.6-22000111.4Q32 R33 H39 Q40Q32-D36 PolarHBondContact O-N 3.14Å; R33-D36 WeakPolarHBondContact CA-OD2 3.34Å; R33-D36 WeakPolarHBondContact CD-OD2 3.34Å; R33-D36 IonicContact NH1-OD2 3.59Å; D36-H39 PolarHBondContact O-N 2.91Å; D36-Q40 WeakPolarHBondContact O-CG 3.43Å; D36-Q40 PolarHBondContact O-N 3.34Å; D36-Q40 PolarHBondContact O-NE2 3.07Å
37L95.7Very high94.4Very high4 Ų460.5 Ų60.52%0.02132%0.323CS..Hα-helixtrans-70.8-33.9-177.2-69.6168.8000111.8R33 V35 Q40 G41 V42 I47 Q50 L51R33-L37 HydrophobicContact CG-CD1 4.19Å; R33-L37 WeakPolarHBondContact O-CB 3.44Å; R33-L37 WeakPolarHBondContact O-CD1 3.46Å; R33-L37 VanDerWaalsContact O-CG 3.26Å; R33-L37 WeakPolarHBondContact O-CG 3.34Å; R33-L37 PolarHBondContact O-N 2.95Å; V35-L37 VanDerWaalsContact C-N 3.27Å; V35-L37 PolarHBondContact O-N 3.09Å; L37-Q40 CarbonylContact O-C 3.58Å; L37-Q40 WeakPolarHBondContact O-CB 3.36Å; L37-Q40 PolarHBondContact O-N 3.18Å; L37-G41 PolarHBondContact O-N 2.89Å; L37-V42 HydrophobicContact CB-CB 4.2Å; L37-V42 HydrophobicContact CB-CG2 4.31Å; L37-V42 HydrophobicContact CD2-CG2 4.21Å; L37-V42 VanDerWaalsContact O-CB 3.23Å; L37-V42 WeakPolarHBondContact O-CB 3.25Å; L37-V42 WeakPolarHBondContact O-CG2 3.23Å; L37-V42 PolarHBondContact O-N 3.46Å; L37-I47 HydrophobicContact CB-CD1 3.76Å; L37-I47 HydrophobicContact CB-CG1 3.75Å; L37-I47 HydrophobicContact CD1-CG1 4.37Å; L37-I47 HydrophobicContact CD1-CG2 4.23Å; L37-Q50 VanDerWaalsContact CD1-OE1 3.31Å; L37-L51 HydrophobicContact CD1-CD1 3.98Å; L37-L51 HydrophobicContact CD1-CD2 4.18Å; L37-L51 HydrophobicContact CD1-CG 4.06Å
38A94.8Very high94.6Very high16 Ų1657.1 Ų57.113%0.13230%0.301CS..Hα-helixtrans-66.6-38.4173.700000111.8I34 V35 Q40 G41 I47 L62I34-A38 PolarHBondContact O-N 3.21Å; V35-A38 PolarHBondContact O-N 2.93Å; V35-A38 VanDerWaalsContact O-N 3.11Å; A38-Q40 VanDerWaalsContact C-N 3.3Å; A38-Q40 PolarHBondContact O-N 3.1Å; A38-G41 PolarHBondContact O-N 2.98Å; A38-I47 HydrophobicContact CB-CD1 4.01Å; A38-L62 HydrophobicContact CB-CD1 4.11Å; A38-L62 HydrophobicContact CB-CD2 3.56Å
39H94.7Very high94.7Very high115 Ų11560 Ų6053%0.53231%0.308SS..Hα-helixtrans-66.4-28.9171.6-66.7157.5000113.4V35 D36 G41 Y65V35-H39 WeakPolarHBondContact CG1-CE1 3.25Å; V35-H39 PolarHBondContact O-N 3.18Å; D36-H39 PolarHBondContact O-N 2.91Å; H39-G41 PolarHBondContact O-N 3.45Å; H39-Y65 AromaticContact CE1-CE1 3.58Å; H39-Y65 AromaticContact CE1-CZ 3.78Å; H39-Y65 PolarHBondContact CE1-OH 3.16Å; H39-Y65 AromaticContact NE2-CE1 3.36Å; H39-Y65 WeakPolarHBondContact NE2-CE1 3.49Å
40Q96.1Very high94.8Very high116 Ų11660.1 Ų60.154%0.54230%0.301SS..THydrogen-bonded Turntrans-74.15.2168.8-73.21577800113.3D36 L37 A38 V42D36-Q40 WeakPolarHBondContact O-CG 3.43Å; D36-Q40 PolarHBondContact O-N 3.34Å; D36-Q40 PolarHBondContact O-NE2 3.07Å; L37-Q40 CarbonylContact O-C 3.58Å; L37-Q40 WeakPolarHBondContact O-CB 3.36Å; L37-Q40 PolarHBondContact O-N 3.18Å; A38-Q40 VanDerWaalsContact C-N 3.3Å; A38-Q40 PolarHBondContact O-N 3.1Å; Q40-V42 VanDerWaalsContact C-N 3.26Å; Q40-V42 HydrophobicContact CB-CG2 4.15Å; Q40-V42 PolarHBondContact O-N 3.16Å
41G93.4Very high94.8Very high62 Ų6260.2 Ų60.264%0.63930%0.3SS*.THydrogen-bonded Turntrans75.38.2-179.200000114.7L37 A38 H39 R43L37-G41 PolarHBondContact O-N 2.89Å; A38-G41 PolarHBondContact O-N 2.98Å; H39-G41 PolarHBondContact O-N 3.45Å; G41-R43 PolarHBondContact O-N 3Å
42V96.1Very high94.8Very high44 Ų4466.1 Ų66.127%0.26732%0.322SS..  trans-69.9132.4-179.8-1730000109.7L37 Q40 D46 I47L37-V42 HydrophobicContact CB-CB 4.2Å; L37-V42 HydrophobicContact CB-CG2 4.31Å; L37-V42 HydrophobicContact CD2-CG2 4.21Å; L37-V42 VanDerWaalsContact O-CB 3.23Å; L37-V42 WeakPolarHBondContact O-CB 3.25Å; L37-V42 WeakPolarHBondContact O-CG2 3.23Å; L37-V42 PolarHBondContact O-N 3.46Å; Q40-V42 VanDerWaalsContact C-N 3.26Å; Q40-V42 HydrophobicContact CB-CG2 4.15Å; Q40-V42 PolarHBondContact O-N 3.16Å; V42-D46 HydrophobicContact CG1-CB 3.89Å; V42-I47 HydrophobicContact CB-CD1 4.37Å; V42-I47 HydrophobicContact CB-CG1 4.02Å; V42-I47 HydrophobicContact CG1-CG1 3.8Å; V42-I47 WeakPolarHBondContact O-CD1 3.44Å
43R95.8Very high94.7Very high172 Ų17262.2 Ų62.265%0.64931%0.305SS*.  trans-66.6141.3-176-54.4177.773.5-172.64.2110.4G41 C45 D46 I47G41-R43 PolarHBondContact O-N 3Å; R43-C45 PolarHBondContact O-N 3.38Å; R43-D46 WeakPolarHBondContact O-CA 3.48Å; R43-D46 PolarHBondContact O-N 3.13Å; R43-I47 PolarHBondContact O-N 3.45Å
44P93.9Very high94.6Very high57 Ų5760.7 Ų60.737%0.3731%0.309SS..Hα-helixtrans-55.6-27.4-178.5-30.236.5000115.6S48 V58 L62P44-S48 VanDerWaalsContact O-CB 3.32Å; P44-S48 WeakPolarHBondContact O-CB 3.45Å; P44-S48 PolarHBondContact O-N 2.94Å; P44-V58 HydrophobicContact CB-CG1 4.16Å; P44-L62 HydrophobicContact CB-CD1 4.34Å; P44-L62 HydrophobicContact CG-CD1 4.05Å
45C95.4Very high94.6Very high37 Ų3765.5 Ų65.525%0.2533%0.332CS..Hα-helixtrans-72.7-30.7174.755.60000113.3R43 R49R43-C45 PolarHBondContact O-N 3.38Å; C45-R49 VanDerWaalsContact O-CZ 3.29Å; C45-R49 PolarHBondContact O-N 2.79Å; C45-R49 PolarHBondContact O-NE 3.22Å
46D95.5Very high94.6Very high58 Ų5867.7 Ų67.731%0.3136%0.355SS..Hα-helixtrans-79.8-38.5174.6-64.3-54.6000111.4V42 R43 S48 R49 Q50V42-D46 HydrophobicContact CG1-CB 3.89Å; R43-D46 WeakPolarHBondContact O-CA 3.48Å; R43-D46 PolarHBondContact O-N 3.13Å; D46-S48 VanDerWaalsContact C-N 3.28Å; D46-S48 PolarHBondContact O-N 3.01Å; D46-R49 PolarHBondContact O-N 2.9Å; D46-R49 IonicContact OD1-CZ 3.32Å; D46-R49 IonicContact OD1-NE 3.15Å; D46-R49 PolarHBondContact OD1-NE 2.89Å; D46-R49 VanDerWaalsContact OD1-NE 3.15Å; D46-R49 IonicContact OD1-NH2 2.68Å; D46-R49 PolarHBondContact OD1-NH2 2.93Å; D46-R49 IonicContact OD2-NH2 3.79Å; D46-Q50 WeakPolarHBondContact O-CB 3.24Å; D46-Q50 PolarHBondContact O-N 3.36Å
47I94.8Very high94.4Very high0 Ų066.6 Ų66.60%035%0.351CS..Hα-helixtrans-55.9-45169.1-59.8178.4000110.6I34 L37 A38 V42 R43 R49 Q50 L51 V58I34-I47 HydrophobicContact CB-CG2 4.35Å; I34-I47 HydrophobicContact CG1-CG2 3.95Å; I34-I47 HydrophobicContact CG2-CG2 4.43Å; L37-I47 HydrophobicContact CB-CD1 3.76Å; L37-I47 HydrophobicContact CB-CG1 3.75Å; L37-I47 HydrophobicContact CD1-CG1 4.37Å; L37-I47 HydrophobicContact CD1-CG2 4.23Å; A38-I47 HydrophobicContact CB-CD1 4.01Å; V42-I47 HydrophobicContact CB-CD1 4.37Å; V42-I47 HydrophobicContact CB-CG1 4.02Å; V42-I47 HydrophobicContact CG1-CG1 3.8Å; V42-I47 WeakPolarHBondContact O-CD1 3.44Å; R43-I47 PolarHBondContact O-N 3.45Å; I47-R49 PolarHBondContact O-N 3.29Å; I47-Q50 PolarHBondContact O-N 3.44Å; I47-L51 HydrophobicContact CG2-CD1 3.89Å; I47-L51 HydrophobicContact CG2-CG 4.46Å; I47-L51 WeakPolarHBondContact O-CB 3.25Å; I47-L51 PolarHBondContact O-N 3.24Å; I47-V58 HydrophobicContact CB-CG1 4.26Å; I47-V58 HydrophobicContact CG2-CG1 3.99Å; I47-V58 HydrophobicContact CG2-CG2 4.41Å
48S95.4Very high94.4Very high9 Ų966.4 Ų66.46%0.06335%0.35CS..Hα-helixtrans-58.7-44.7176.8178.70000112.4P44 D46 R52 V53 H55P44-S48 VanDerWaalsContact O-CB 3.32Å; P44-S48 WeakPolarHBondContact O-CB 3.45Å; P44-S48 PolarHBondContact O-N 2.94Å; D46-S48 VanDerWaalsContact C-N 3.28Å; D46-S48 PolarHBondContact O-N 3.01Å; S48-R52 CarbonylContact O-C 3.58Å; S48-R52 VanDerWaalsContact O-CA 3.32Å; S48-R52 WeakPolarHBondContact O-CA 3.42Å; S48-R52 PolarHBondContact O-N 3.23Å; S48-R52 VanDerWaalsContact O-N 3.12Å; S48-V53 VanDerWaalsContact CA-O 3.3Å; S48-V53 WeakPolarHBondContact CA-O 3.36Å; S48-V53 WeakPolarHBondContact CB-O 3.26Å; S48-V53 PolarHBondContact O-N 3.19Å; S48-V53 PolarHBondContact OG-O 3.5Å; S48-H55 PolarHBondContact OG-N 3.25Å
49R93.6Very high94.4Very high141 Ų14168.9 Ų68.953%0.53237%0.367SS..Hα-helixtrans-66.2-52175.1-74.8179.8-83.7-92.56.9112.2C45 D46 I47 L51 R52C45-R49 VanDerWaalsContact O-CZ 3.29Å; C45-R49 PolarHBondContact O-N 2.79Å; C45-R49 PolarHBondContact O-NE 3.22Å; D46-R49 PolarHBondContact O-N 2.9Å; D46-R49 IonicContact OD1-CZ 3.32Å; D46-R49 IonicContact OD1-NE 3.15Å; D46-R49 PolarHBondContact OD1-NE 2.89Å; D46-R49 VanDerWaalsContact OD1-NE 3.15Å; D46-R49 IonicContact OD1-NH2 2.68Å; D46-R49 PolarHBondContact OD1-NH2 2.93Å; D46-R49 IonicContact OD2-NH2 3.79Å; I47-R49 PolarHBondContact O-N 3.29Å; R49-L51 PolarHBondContact O-N 2.88Å; R49-R52 PolarHBondContact O-N 2.97Å
50Q93.4Very high94.4Very high120 Ų12070.9 Ų70.956%0.56137%0.374SS*.Hα-helixtrans-63-43.2-173.3-172.7179.52300112.5L37 D46 I47L37-Q50 VanDerWaalsContact CD1-OE1 3.31Å; D46-Q50 WeakPolarHBondContact O-CB 3.24Å; D46-Q50 PolarHBondContact O-N 3.36Å; I47-Q50 PolarHBondContact O-N 3.44Å
51L92.9Very high94.2Very high43 Ų4366.2 Ų66.223%0.22535%0.353CS..THydrogen-bonded Turntrans-89.8-2.7179.2-56.9-178.1000113.1V30 R33 I34 L37 I47 R49 V53V30-L51 HydrophobicContact CG1-CD1 4.43Å; R33-L51 HydrophobicContact CB-CD1 4.15Å; R33-L51 HydrophobicContact CB-CD2 4.45Å; R33-L51 HydrophobicContact CG-CD1 4.06Å; R33-L51 HydrophobicContact CG-CD2 3.72Å; I34-L51 HydrophobicContact CB-CD1 4.47Å; I34-L51 HydrophobicContact CG1-CD1 3.54Å; L37-L51 HydrophobicContact CD1-CD1 3.98Å; L37-L51 HydrophobicContact CD1-CD2 4.18Å; L37-L51 HydrophobicContact CD1-CG 4.06Å; I47-L51 HydrophobicContact CG2-CD1 3.89Å; I47-L51 HydrophobicContact CG2-CG 4.46Å; I47-L51 WeakPolarHBondContact O-CB 3.25Å; I47-L51 PolarHBondContact O-N 3.24Å; R49-L51 PolarHBondContact O-N 2.88Å; L51-V53 HydrophobicContact CB-CG2 4.04Å; L51-V53 PolarHBondContact O-N 3.13Å
52R93.4Very high94.3Very high138 Ų13863.7 Ų63.752%0.52132%0.324SS..THydrogen-bonded Turntrans53.337.6-174.8-52.7-179.1178-167.6-0.9112.9N14 L16 G17 S48 R49N14-R52 PolarHBondContact ND2-O 2.97Å; N14-R52 PolarHBondContact OD1-O 3.44Å; L16-R52 HydrophobicContact CB-CB 4.11Å; L16-R52 WeakPolarHBondContact O-CB 3.43Å; L16-R52 VanDerWaalsContact O-CD 3.27Å; L16-R52 WeakPolarHBondContact O-CD 3.27Å; L16-R52 VanDerWaalsContact O-CG 3.31Å; L16-R52 WeakPolarHBondContact O-CG 3.36Å; G17-R52 VanDerWaalsContact O-CD 3.27Å; G17-R52 WeakPolarHBondContact O-CD 3.5Å; G17-R52 PolarHBondContact O-NH1 3.41Å; S48-R52 CarbonylContact O-C 3.58Å; S48-R52 VanDerWaalsContact O-CA 3.32Å; S48-R52 WeakPolarHBondContact O-CA 3.42Å; S48-R52 PolarHBondContact O-N 3.23Å; S48-R52 VanDerWaalsContact O-N 3.12Å; R49-R52 PolarHBondContact O-N 2.97Å
53V92.9Very high94.1Very high10 Ų1063.4 Ų63.46%0.06133%0.331CS..  trans-107.2138.1178.9176.40000108.6L16 L26 V30 I34 S48 L51 H55 C57 V58L16-V53 WeakPolarHBondContact CD1-O 3.48Å; L26-V53 HydrophobicContact CD1-CG2 4.34Å; L26-V53 HydrophobicContact CD2-CG1 4.02Å; L26-V53 HydrophobicContact CD2-CG2 4.1Å; V30-V53 HydrophobicContact CG1-CG2 3.75Å; I34-V53 HydrophobicContact CD1-CG1 4.24Å; S48-V53 VanDerWaalsContact CA-O 3.3Å; S48-V53 WeakPolarHBondContact CA-O 3.36Å; S48-V53 WeakPolarHBondContact CB-O 3.26Å; S48-V53 PolarHBondContact O-N 3.19Å; S48-V53 PolarHBondContact OG-O 3.5Å; L51-V53 HydrophobicContact CB-CG2 4.04Å; L51-V53 PolarHBondContact O-N 3.13Å; V53-H55 PolarHBondContact O-N 2.84Å; V53-C57 HydrophobicContact CG1-CB 3.76Å; V53-V58 HydrophobicContact CB-CG2 4.08Å; V53-V58 HydrophobicContact CG1-CG2 3.9Å
54S93.3Very high93.8Very high66 Ų6659 Ų5946%0.46231%0.314SS..  trans-60.3139.4-178.961.30000112.2G56 C57 V58S54-G56 VanDerWaalsContact C-N 3.27Å; S54-G56 PolarHBondContact O-N 3.28Å; S54-C57 WeakPolarHBondContact O-CA 3.42Å; S54-C57 VanDerWaalsContact O-CB 3.29Å; S54-C57 WeakPolarHBondContact O-CB 3.31Å; S54-C57 PolarHBondContact O-N 3Å; S54-C57 WeakPolarHBondContact OG-CB 3.22Å; S54-V58 PolarHBondContact O-N 3.25Å; S54-V58 VanDerWaalsContact O-N 3.11Å
55H95.4Very high93.8Very high102 Ų10259.1 Ų59.147%0.47231%0.308SS..Hα-helixtrans-55.3-39.7-174.7-177.1-110.7000113.2S48 V53 C57 V58 S59S48-H55 PolarHBondContact OG-N 3.25Å; V53-H55 PolarHBondContact O-N 2.84Å; H55-C57 VanDerWaalsContact C-N 3.27Å; H55-C57 PolarHBondContact O-N 3.08Å; H55-V58 PolarHBondContact O-N 3.19Å; H55-S59 VanDerWaalsContact O-CB 3.32Å; H55-S59 WeakPolarHBondContact O-CB 3.39Å; H55-S59 PolarHBondContact O-N 3.33Å
56G93.9Very high93.6Very high49 Ų4964.5 Ų64.551%0.50532%0.324SS..Hα-helixtrans-67.1-21.9175.300000114.6S54 K60S54-G56 VanDerWaalsContact C-N 3.27Å; S54-G56 PolarHBondContact O-N 3.28Å; G56-K60 VanDerWaalsContact O-CB 3.24Å; G56-K60 WeakPolarHBondContact O-CB 3.35Å; G56-K60 PolarHBondContact O-N 3.47Å
57C92.8Very high93.3Very high39 Ų3969.2 Ų69.226%0.26434%0.344SS..Hα-helixtrans-78.8-46.4171.2-172.50000110.6V53 S54 H55 S59 K60 I61V53-C57 HydrophobicContact CG1-CB 3.76Å; S54-C57 WeakPolarHBondContact O-CA 3.42Å; S54-C57 VanDerWaalsContact O-CB 3.29Å; S54-C57 WeakPolarHBondContact O-CB 3.31Å; S54-C57 PolarHBondContact O-N 3Å; S54-C57 WeakPolarHBondContact OG-CB 3.22Å; H55-C57 VanDerWaalsContact C-N 3.27Å; H55-C57 PolarHBondContact O-N 3.08Å; C57-S59 PolarHBondContact O-N 3.49Å; C57-K60 PolarHBondContact O-N 2.76Å; C57-I61 WeakPolarHBondContact O-CD1 3.41Å; C57-I61 WeakPolarHBondContact O-CG1 3.41Å; C57-I61 PolarHBondContact O-N 3.43Å
58V95.4Very high93Very high0 Ų073 Ų730%037%0.367CS..Hα-helixtrans-55.2-51.8174177.20000110.8I34 P44 I47 V53 S54 H55 K60 I61 L62I34-V58 HydrophobicContact CD1-CG2 4.18Å; I34-V58 HydrophobicContact CG1-CG2 4.42Å; I34-V58 HydrophobicContact CG2-CG1 4.03Å; P44-V58 HydrophobicContact CB-CG1 4.16Å; I47-V58 HydrophobicContact CB-CG1 4.26Å; I47-V58 HydrophobicContact CG2-CG1 3.99Å; I47-V58 HydrophobicContact CG2-CG2 4.41Å; V53-V58 HydrophobicContact CB-CG2 4.08Å; V53-V58 HydrophobicContact CG1-CG2 3.9Å; S54-V58 PolarHBondContact O-N 3.25Å; S54-V58 VanDerWaalsContact O-N 3.11Å; H55-V58 PolarHBondContact O-N 3.19Å; V58-K60 VanDerWaalsContact C-N 3.35Å; V58-K60 PolarHBondContact O-N 3.18Å; V58-I61 PolarHBondContact O-N 3.03Å; V58-L62 HydrophobicContact CG1-CD1 3.92Å; V58-L62 HydrophobicContact CG1-CG 4.45Å; V58-L62 WeakPolarHBondContact O-CG 3.34Å; V58-L62 PolarHBondContact O-N 2.92Å
59S95.2Very high92.6Very high69 Ų6975.1 Ų75.148%0.48339%0.39SS..Hα-helixtrans-55.9-44.5176.3173.20000112.7H55 C57 L62 G63H55-S59 VanDerWaalsContact O-CB 3.32Å; H55-S59 WeakPolarHBondContact O-CB 3.39Å; H55-S59 PolarHBondContact O-N 3.33Å; C57-S59 PolarHBondContact O-N 3.49Å; S59-L62 PolarHBondContact O-N 3.12Å; S59-G63 PolarHBondContact O-N 2.86Å
60K93.6Very high92.2Very high156 Ų15670.5 Ų70.568%0.67838%0.379SS*.Hα-helixtrans-68.6-33.2179.1-173.6172.9-64.2-174.40113.5G56 C57 V58 R64G56-K60 VanDerWaalsContact O-CB 3.24Å; G56-K60 WeakPolarHBondContact O-CB 3.35Å; G56-K60 PolarHBondContact O-N 3.47Å; C57-K60 PolarHBondContact O-N 2.76Å; V58-K60 VanDerWaalsContact C-N 3.35Å; V58-K60 PolarHBondContact O-N 3.18Å; K60-R64 WeakPolarHBondContact O-CB 3.28Å; K60-R64 WeakPolarHBondContact O-CG 3.47Å; K60-R64 PolarHBondContact O-N 2.92Å
61I93.2Very high91.8Very high19 Ų1965.7 Ų65.710%0.09736%0.357CS..Hα-helixtrans-71.2-47.5175-69.1156.7000110L26 R31 I34 C57 V58 R64 Y65L26-I61 HydrophobicContact CD2-CD1 3.79Å; R31-I61 HydrophobicContact CG-CD1 3.79Å; R31-I61 HydrophobicContact CG-CG1 4.22Å; R31-I61 HydrophobicContact CG-CG2 4.42Å; I34-I61 HydrophobicContact CB-CG2 4.44Å; I34-I61 HydrophobicContact CD1-CD1 3.54Å; I34-I61 HydrophobicContact CG2-CB 4.29Å; I34-I61 HydrophobicContact CG2-CG2 3.9Å; C57-I61 WeakPolarHBondContact O-CD1 3.41Å; C57-I61 WeakPolarHBondContact O-CG1 3.41Å; C57-I61 PolarHBondContact O-N 3.43Å; V58-I61 PolarHBondContact O-N 3.03Å; I61-R64 PolarHBondContact O-N 2.79Å; I61-Y65 WeakPolarHBondContact O-CB 3.35Å; I61-Y65 PolarHBondContact O-N 3.09Å
62L93.6Very high91.4Very high8 Ų872 Ų724%0.04238%0.378CS..Hα-helixtrans-65.4-42.6179.7-67.9178.1000112.5I34 V35 A38 P44 V58 S59 R64 Y65 Y66I34-L62 HydrophobicContact CG2-CD1 4.46Å; I34-L62 HydrophobicContact CG2-CD2 3.79Å; I34-L62 HydrophobicContact CG2-CG 3.86Å; V35-L62 HydrophobicContact CG2-CD2 4.15Å; A38-L62 HydrophobicContact CB-CD1 4.11Å; A38-L62 HydrophobicContact CB-CD2 3.56Å; P44-L62 HydrophobicContact CB-CD1 4.34Å; P44-L62 HydrophobicContact CG-CD1 4.05Å; V58-L62 HydrophobicContact CG1-CD1 3.92Å; V58-L62 HydrophobicContact CG1-CG 4.45Å; V58-L62 WeakPolarHBondContact O-CG 3.34Å; V58-L62 PolarHBondContact O-N 2.92Å; S59-L62 PolarHBondContact O-N 3.12Å; L62-R64 PolarHBondContact O-N 3.24Å; L62-Y65 WeakPolarHBondContact O-CB 3.37Å; L62-Y65 PolarHBondContact O-N 3.06Å; L62-Y65 VanDerWaalsContact O-N 3.13Å; L62-Y66 HydrophobicContact CB-CD2 4.49Å; L62-Y66 HydrophobicContact CB-CE2 4.06Å; L62-Y66 WeakPolarHBondContact O-CD2 3.45Å; L62-Y66 PolarHBondContact O-N 2.94Å
63G92.6Very high90.9Very high39 Ų3968 Ų6840%0.40237%0.37SS..Hα-helixtrans-58.7-47.5175.100000112.4S59 Y65 Y66 E67S59-G63 PolarHBondContact O-N 2.86Å; G63-Y65 VanDerWaalsContact C-N 3.28Å; G63-Y65 PolarHBondContact O-N 2.9Å; G63-Y66 PolarHBondContact O-N 3.21Å; G63-E67 VanDerWaalsContact O-CB 3.26Å; G63-E67 WeakPolarHBondContact O-CB 3.13Å; G63-E67 PolarHBondContact O-N 3.01Å
64R90.3Very high90.3Very high78 Ų7869.6 Ų69.629%0.29439%0.389SS..Hα-helixtrans-63.8-30.2174.5-80.6-91.1-71102.914.5113.4K60 I61 L62 T68 R72K60-R64 WeakPolarHBondContact O-CB 3.28Å; K60-R64 WeakPolarHBondContact O-CG 3.47Å; K60-R64 PolarHBondContact O-N 2.92Å; I61-R64 PolarHBondContact O-N 2.79Å; L62-R64 PolarHBondContact O-N 3.24Å; R64-T68 PolarHBondContact NH1-OG1 2.84Å; R64-T68 WeakPolarHBondContact O-CB 3.26Å; R64-T68 PolarHBondContact O-N 2.79Å; R64-T68 PolarHBondContact O-OG1 3.38Å; R64-R72 PolarHBondContact NH2-O 3.11Å
65Y92.6Very high89.6Confident61 Ų6173.5 Ų73.524%0.23941%0.41CS..Hα-helixtrans-72.8-45.7175.1-177.2-100.1000111.7V35 H39 I61 L62 G63 E67 G69 I71V35-Y65 HydrophobicContact CG1-CD1 3.84Å; V35-Y65 HydrophobicContact CG1-CD2 4.18Å; V35-Y65 HydrophobicContact CG1-CE1 3.63Å; V35-Y65 HydrophobicContact CG1-CE2 3.97Å; V35-Y65 HydrophobicContact CG1-CG 4.12Å; V35-Y65 HydrophobicContact CG2-CD1 4.11Å; V35-Y65 HydrophobicContact CG2-CD2 3.97Å; V35-Y65 HydrophobicContact CG2-CG 3.73Å; H39-Y65 AromaticContact CE1-CE1 3.58Å; H39-Y65 AromaticContact CE1-CZ 3.78Å; H39-Y65 PolarHBondContact CE1-OH 3.16Å; H39-Y65 AromaticContact NE2-CE1 3.36Å; H39-Y65 WeakPolarHBondContact NE2-CE1 3.49Å; I61-Y65 WeakPolarHBondContact O-CB 3.35Å; I61-Y65 PolarHBondContact O-N 3.09Å; L62-Y65 WeakPolarHBondContact O-CB 3.37Å; L62-Y65 PolarHBondContact O-N 3.06Å; L62-Y65 VanDerWaalsContact O-N 3.13Å; G63-Y65 VanDerWaalsContact C-N 3.28Å; G63-Y65 PolarHBondContact O-N 2.9Å; Y65-E67 VanDerWaalsContact C-N 3.31Å; Y65-E67 PolarHBondContact O-N 3.47Å; Y65-G69 VanDerWaalsContact CE2-O 3.26Å; Y65-G69 WeakPolarHBondContact CE2-O 3.36Å; Y65-G69 WeakPolarHBondContact O-CA 3.26Å; Y65-G69 PolarHBondContact O-N 2.97Å; Y65-I71 HydrophobicContact CD2-CG2 3.56Å; Y65-I71 HydrophobicContact CE2-CG2 4.08Å; Y65-I71 HydrophobicContact CG-CG2 4.43Å
66Y91.4Very high88.3Confident149 Ų14974.6 Ų74.658%0.58442%0.418SS*.Hα-helixtrans-69.2-27.7176.6-59.8-46.2000113.3L62 G63L62-Y66 HydrophobicContact CB-CD2 4.49Å; L62-Y66 HydrophobicContact CB-CE2 4.06Å; L62-Y66 WeakPolarHBondContact O-CD2 3.45Å; L62-Y66 PolarHBondContact O-N 2.94Å; G63-Y66 PolarHBondContact O-N 3.21Å
67E90.4Very high86.8Confident157 Ų15775.3 Ų75.373%0.73443%0.425SS*.Hα-helixtrans-82.5-40.8177.2-178.8-178.2-136.800113.5G63 Y65G63-E67 VanDerWaalsContact O-CB 3.26Å; G63-E67 WeakPolarHBondContact O-CB 3.13Å; G63-E67 PolarHBondContact O-N 3.01Å; Y65-E67 VanDerWaalsContact C-N 3.31Å; Y65-E67 PolarHBondContact O-N 3.47Å
68T88.7Confident85.7Confident81 Ų8177.2 Ų77.250%0.49745%0.451SS..Hα-helixtrans-119.1-6.1-170.7-29.70000114.3R64 S70R64-T68 PolarHBondContact NH1-OG1 2.84Å; R64-T68 WeakPolarHBondContact O-CB 3.26Å; R64-T68 PolarHBondContact O-N 2.79Å; R64-T68 PolarHBondContact O-OG1 3.38Å; T68-S70 PolarHBondContact O-N 3Å
69G86.9Confident84.4Confident52 Ų5282.6 Ų82.654%0.53649%0.489SS..SBendtrans63.80.5-169.800000115Y65Y65-G69 VanDerWaalsContact CE2-O 3.26Å; Y65-G69 WeakPolarHBondContact CE2-O 3.36Å; Y65-G69 WeakPolarHBondContact O-CA 3.26Å; Y65-G69 PolarHBondContact O-N 2.97Å
70S84.3Confident82.8Confident44 Ų4488.5 Ų88.531%0.30851%0.505SS..  trans-116.7113-165.7-167.60000112.2T68 R72T68-S70 PolarHBondContact O-N 3Å; S70-R72 VanDerWaalsContact C-N 3.25Å; S70-R72 PolarHBondContact O-N 3.44Å
71I85.4Confident81.2Confident19 Ų1986 Ų8610%0.09751%0.506CS..  trans-73.9-13.7176.368.1139.9000113.9E28 R31 Q32 V35 Y65E28-I71 HydrophobicContact CG-CD1 4.23Å; E28-I71 WeakPolarHBondContact OE1-CD1 3.4Å; R31-I71 HydrophobicContact CB-CB 4.48Å; R31-I71 HydrophobicContact CB-CD1 3.97Å; R31-I71 WeakPolarHBondContact CD-O 3.5Å; R31-I71 PolarHBondContact NH1-O 2.95Å; Q32-I71 HydrophobicContact CB-CD1 4.34Å; Q32-I71 HydrophobicContact CG-CD1 3.51Å; V35-I71 HydrophobicContact CB-CG2 4.41Å; V35-I71 HydrophobicContact CG2-CG2 3.66Å; Y65-I71 HydrophobicContact CD2-CG2 3.56Å; Y65-I71 HydrophobicContact CE2-CG2 4.08Å; Y65-I71 HydrophobicContact CG-CG2 4.43Å
72R84.8Confident79.8Confident176 Ų17694.8 Ų94.866%0.66454%0.543SS*.SBendtrans-60.1142.4-176-68.2179.971.4-158.74.1109.7R64 S70R64-R72 PolarHBondContact NH2-O 3.11Å; S70-R72 VanDerWaalsContact C-N 3.25Å; S70-R72 PolarHBondContact O-N 3.44Å
73P82.6Confident78.3Confident53 Ų53100.2 Ų100.234%0.34458%0.576SS.*PPolyproline II helixtrans-64.4150.5177.331.3-33.3000109.1P25P25-P73 HydrophobicContact CB-CB 3.58Å; P25-P73 HydrophobicContact CB-CG 4.01Å; P25-P73 HydrophobicContact CG-CB 4.15Å; P25-P73 HydrophobicContact CG-CG 4.11Å
74G80.9Confident76.7Confident45 Ų45100.3 Ų100.346%0.46457%0.573SS.*PPolyproline II helixtrans-59.7161169.500000110.8I76G74-I76 VanDerWaalsContact C-N 3.33Å; G74-I76 PolarHBondContact O-N 3.18Å
75V78.8Confident76.3Confident148 Ų148101 Ų10190%0.89759%0.586SS**  trans-6893.4175.5-176.90000108.9G77V75-G77 PolarHBondContact O-N 2.89Å
76I67Low75.7Confident125 Ų125103 Ų10364%0.64161%0.607SS**  trans-82.3110.4177.9-65.2163.4000108P25 G74P25-I76 HydrophobicContact CB-CD1 4.31Å; G74-I76 VanDerWaalsContact C-N 3.33Å; G74-I76 PolarHBondContact O-N 3.18Å
77G62.8Low75.5Confident64 Ų64101.8 Ų101.866%0.6660%0.604SS**  trans107.2145.5177.800000113.2V75V75-G77 PolarHBondContact O-N 2.89Å
78G68.8Low75.4Confident78 Ų7895 Ų9580%0.80457%0.574SS**  trans133.7125.1-173.500000110.3
79S67.9Low75.5Confident114 Ų11492.7 Ų92.780%0.79756%0.559SS**  trans-73.2139.3164.143.40000109
80K63Low75.6Confident192 Ų19296.2 Ų96.284%0.83556%0.562SS**  trans-55.5136.6159.3-71.5-177.3176.5-178.90107.4K82K80-K82 PolarHBondContact O-N 2.91Å
81P58.4Low76Confident105 Ų10596.9 Ų96.968%0.68256%0.559SS**  trans-61.8102.8-176.524.1-33.3000110V83 A84P81-V83 VanDerWaalsContact C-N 3.34Å; P81-V83 PolarHBondContact O-N 3.02Å; P81-A84 HydrophobicContact CB-CB 4.44Å
82K63.9Low76.3Confident203 Ų20396 Ų9688%0.88356%0.555SS**THydrogen-bonded Turntrans-75.8-20-162.1-139.8-172.6-177.5-167.10114.1K80K80-K82 PolarHBondContact O-N 2.91Å
83V62.3Low76.7Confident122 Ų12287.7 Ų87.774%0.73952%0.524SS*.THydrogen-bonded Turntrans-145.651.7-172.1-161.10000110.3P81P81-V83 VanDerWaalsContact C-N 3.34Å; P81-V83 PolarHBondContact O-N 3.02Å
84A60.6Low77.2Confident41 Ų4187.5 Ų87.534%0.33952%0.52SS..  trans-152.876.6178.800000111.7P81 V89P81-A84 HydrophobicContact CB-CB 4.44Å; A84-V89 HydrophobicContact CB-CG2 4.09Å
85T79.9Confident77.8Confident93 Ų9385.4 Ų85.457%0.57150%0.498SS*.  trans-56127168.6-52.20000109.1K87 V88 V89T85-K87 VanDerWaalsContact C-N 3.27Å; T85-K87 HydrophobicContact CG2-CB 4.41Å; T85-K87 PolarHBondContact O-N 3.4Å; T85-V88 WeakPolarHBondContact O-CB 3.31Å; T85-V88 PolarHBondContact O-N 3.43Å; T85-V89 PolarHBondContact O-N 3.13Å
86P82.1Confident78.4Confident102 Ų10280.3 Ų80.366%0.66246%0.464SS*.Hα-helixtrans-59.1-36.5-169.518.9-31.2000113.3V88 V89 E90P86-V88 PolarHBondContact O-N 2.85Å; P86-V89 WeakPolarHBondContact O-CB 3.36Å; P86-V89 PolarHBondContact O-N 2.87Å; P86-V89 VanDerWaalsContact O-N 3.09Å; P86-E90 PolarHBondContact O-N 3.42Å
87K85.3Confident79.6Confident124 Ų12481.4 Ų81.454%0.53946%0.46SS..Hα-helixtrans-52-36.4172.6-174.2-175.2178.6-169.40113.7T85 K91T85-K87 VanDerWaalsContact C-N 3.27Å; T85-K87 HydrophobicContact CG2-CB 4.41Å; T85-K87 PolarHBondContact O-N 3.4Å; K87-K91 WeakPolarHBondContact O-CB 3.4Å; K87-K91 PolarHBondContact O-N 2.76Å; K87-K91 VanDerWaalsContact O-N 3.1Å
88V89.6Confident81Confident14 Ų1483.5 Ų83.59%0.08545%0.453CS..Hα-helixtrans-75.2-41.2179.6-177.70000110.5T85 P86 E90 K91 I92 L111 V116 C117 P123T85-V88 WeakPolarHBondContact O-CB 3.31Å; T85-V88 PolarHBondContact O-N 3.43Å; P86-V88 PolarHBondContact O-N 2.85Å; V88-E90 VanDerWaalsContact C-N 3.3Å; V88-E90 PolarHBondContact O-N 2.99Å; V88-K91 PolarHBondContact O-N 2.78Å; V88-I92 HydrophobicContact CG1-CD1 4.03Å; V88-I92 WeakPolarHBondContact O-CD1 3.15Å; V88-I92 VanDerWaalsContact O-CG1 3.24Å; V88-I92 WeakPolarHBondContact O-CG1 3.49Å; V88-I92 PolarHBondContact O-N 3Å; V88-L111 HydrophobicContact CG1-CD1 4Å; V88-L111 HydrophobicContact CG1-CD2 4.19Å; V88-V116 HydrophobicContact CG2-CG1 4.2Å; V88-C117 VanDerWaalsContact CG2-SG 3.55Å; V88-P123 HydrophobicContact CG1-CG 3.91Å
89V89.9Confident82Confident33 Ų3383 Ų8320%0.243%0.431CS..Hα-helixtrans-62.3-39.7176.1177.60000111.1A84 T85 P86 G93 I131 K135A84-V89 HydrophobicContact CB-CG2 4.09Å; T85-V89 PolarHBondContact O-N 3.13Å; P86-V89 WeakPolarHBondContact O-CB 3.36Å; P86-V89 PolarHBondContact O-N 2.87Å; P86-V89 VanDerWaalsContact O-N 3.09Å; V89-G93 PolarHBondContact O-N 3.34Å; V89-I131 HydrophobicContact CG1-CG2 3.94Å; V89-I131 HydrophobicContact CG2-CD1 4.26Å; V89-K135 HydrophobicContact CG1-CB 4.46Å; V89-K135 HydrophobicContact CG1-CG 4.1Å
90E90.4Very high83.1Confident126 Ų12682.2 Ų82.259%0.58942%0.423SS*.Hα-helixtrans-64.3-52.8175.5-176.4166.5-132.600112P86 V88 I92 G93 D94P86-E90 PolarHBondContact O-N 3.42Å; V88-E90 VanDerWaalsContact C-N 3.3Å; V88-E90 PolarHBondContact O-N 2.99Å; E90-I92 VanDerWaalsContact C-N 3.35Å; E90-I92 PolarHBondContact O-N 2.67Å; E90-G93 CarbonylContact O-C 3.49Å; E90-G93 VanDerWaalsContact O-CA 3.23Å; E90-G93 WeakPolarHBondContact O-CA 3.15Å; E90-G93 PolarHBondContact O-N 3.26Å; E90-D94 PolarHBondContact O-N 3.46Å
91K91.8Very high84.5Confident58 Ų5878.7 Ų78.725%0.25242%0.418SS..Hα-helixtrans-59.6-37.6176.9-83-73.3-159.4163.40114K87 V88 G93 D94 Y95 L111 E114 V116K87-K91 WeakPolarHBondContact O-CB 3.4Å; K87-K91 PolarHBondContact O-N 2.76Å; K87-K91 VanDerWaalsContact O-N 3.1Å; V88-K91 PolarHBondContact O-N 2.78Å; K91-G93 PolarHBondContact O-N 2.99Å; K91-D94 PolarHBondContact O-N 2.9Å; K91-Y95 HydrophobicContact CD-CE1 3.91Å; K91-Y95 PolarHBondContact O-N 3.33Å; K91-L111 HydrophobicContact CB-CD2 3.94Å; K91-E114 IonicContact NZ-OE2 2.75Å; K91-E114 PolarHBondContact NZ-OE2 3.23Å; K91-V116 HydrophobicContact CB-CG1 4.2Å; K91-V116 HydrophobicContact CD-CG2 4.4Å; K91-V116 HydrophobicContact CG-CG1 4.05Å; K91-V116 HydrophobicContact CG-CG2 4.14Å
92I92.2Very high86.1Confident0 Ų074.9 Ų74.90%039%0.392CS..Hα-helixtrans-59.3-39.3170.7-71.1163.6000110.6V88 E90 K96 I107 L111 P123 I128 I131 I132V88-I92 HydrophobicContact CG1-CD1 4.03Å; V88-I92 WeakPolarHBondContact O-CD1 3.15Å; V88-I92 VanDerWaalsContact O-CG1 3.24Å; V88-I92 WeakPolarHBondContact O-CG1 3.49Å; V88-I92 PolarHBondContact O-N 3Å; E90-I92 VanDerWaalsContact C-N 3.35Å; E90-I92 PolarHBondContact O-N 2.67Å; I92-K96 WeakPolarHBondContact O-CB 3.38Å; I92-K96 PolarHBondContact O-N 3.37Å; I92-I107 HydrophobicContact CB-CG2 4.37Å; I92-I107 HydrophobicContact CG1-CG2 3.86Å; I92-I107 HydrophobicContact CG2-CG2 4.29Å; I92-L111 HydrophobicContact CD1-CD1 4.13Å; I92-L111 HydrophobicContact CG1-CD1 3.84Å; I92-P123 HydrophobicContact CD1-CG 4.09Å; I92-I128 HydrophobicContact CD1-CG1 4.03Å; I92-I128 HydrophobicContact CG2-CG2 4.1Å; I92-I131 HydrophobicContact CB-CG2 4.19Å; I92-I131 HydrophobicContact CD1-CD1 3.71Å; I92-I131 HydrophobicContact CD1-CG2 4.27Å; I92-I131 HydrophobicContact CG2-CB 4.37Å; I92-I131 HydrophobicContact CG2-CG2 3.73Å; I92-I132 HydrophobicContact CG2-CG1 3.89Å
93G92.3Very high87.6Confident2 Ų271.2 Ų71.22%0.02138%0.376CS..Hα-helixtrans-64.6-44.317300000113V89 E90 K91 K96 R97V89-G93 PolarHBondContact O-N 3.34Å; E90-G93 CarbonylContact O-C 3.49Å; E90-G93 VanDerWaalsContact O-CA 3.23Å; E90-G93 WeakPolarHBondContact O-CA 3.15Å; E90-G93 PolarHBondContact O-N 3.26Å; K91-G93 PolarHBondContact O-N 2.99Å; G93-K96 PolarHBondContact O-N 3.42Å; G93-R97 WeakPolarHBondContact O-CB 3.35Å; G93-R97 VanDerWaalsContact O-CG 3.27Å; G93-R97 WeakPolarHBondContact O-CG 3.23Å; G93-R97 PolarHBondContact O-N 2.78Å
94D92.7Very high89.1Confident49 Ų4965.8 Ų65.826%0.26234%0.344SS..Hα-helixtrans-61-53.1177.8-71-44.4000112.5E90 K91 K96 R97 Q98E90-D94 PolarHBondContact O-N 3.46Å; K91-D94 PolarHBondContact O-N 2.9Å; D94-K96 VanDerWaalsContact C-N 3.27Å; D94-K96 PolarHBondContact O-N 3.46Å; D94-R97 PolarHBondContact O-N 2.95Å; D94-R97 VanDerWaalsContact O-N 3.16Å; D94-R97 IonicContact OD1-CZ 2.68Å; D94-R97 IonicContact OD1-NE 3.71Å; D94-R97 IonicContact OD1-NH2 2.63Å; D94-R97 PolarHBondContact OD1-NH2 3.42Å; D94-Q98 WeakPolarHBondContact O-CB 3.37Å; D94-Q98 WeakPolarHBondContact O-CG 3.47Å; D94-Q98 PolarHBondContact O-N 3.46Å
95Y93.4Very high90.7Very high1 Ų170.4 Ų70.40%0.00435%0.353CS..Hα-helixtrans-61.1-38.5-178.1-55-24.2000111.6K91 Q98 N99 I107 R110 L111 E114K91-Y95 HydrophobicContact CD-CE1 3.91Å; K91-Y95 PolarHBondContact O-N 3.33Å; Y95-Q98 PolarHBondContact O-N 3.38Å; Y95-N99 PolarHBondContact O-N 2.94Å; Y95-I107 HydrophobicContact CD2-CG2 4.27Å; Y95-R110 HydrophobicContact CD2-CB 4.23Å; Y95-R110 HydrophobicContact CD2-CG 4.11Å; Y95-R110 HydrophobicContact CE1-CG 4.28Å; Y95-R110 HydrophobicContact CE2-CB 4Å; Y95-R110 HydrophobicContact CE2-CG 3.74Å; Y95-L111 HydrophobicContact CE2-CD2 3.92Å; Y95-L111 HydrophobicContact CE2-CG 4.04Å; Y95-E114 WeakPolarHBondContact CE1-OE1 3.31Å; Y95-E114 PolarHBondContact OH-OE1 3.23Å; Y95-E114 PolarHBondContact OH-OE2 3.38Å
96K92.6Very high91.4Very high41 Ų4169 Ų6918%0.17834%0.339CS..Hα-helixtrans-78.4-22.1179.3-165.556.2165.3178.70113.7I92 G93 D94 N99 P100 M102 I107 I132 V136I92-K96 WeakPolarHBondContact O-CB 3.38Å; I92-K96 PolarHBondContact O-N 3.37Å; G93-K96 PolarHBondContact O-N 3.42Å; D94-K96 VanDerWaalsContact C-N 3.27Å; D94-K96 PolarHBondContact O-N 3.46Å; K96-N99 CarbonylContact O-C 3.59Å; K96-P100 WeakPolarHBondContact CE-O 3.43Å; K96-P100 PolarHBondContact NZ-O 3.26Å; K96-P100 WeakPolarHBondContact O-CA 3.47Å; K96-M102 PolarHBondContact NZ-O 3.05Å; K96-I107 HydrophobicContact CB-CD1 4.1Å; K96-I107 HydrophobicContact CD-CD1 4.2Å; K96-I132 HydrophobicContact CD-CD1 4.41Å; K96-I132 HydrophobicContact CG-CD1 4.25Å; K96-I132 HydrophobicContact CG-CG1 4.21Å; K96-I132 HydrophobicContact CG-CG2 4.05Å; K96-V136 HydrophobicContact CB-CG1 4.27Å; K96-V136 HydrophobicContact CG-CG1 4.27Å
97R91.6Very high92Very high147 Ų14764.1 Ų64.156%0.55531%0.308SS*.Hα-helixtrans-73.7-45.6166.3-79.8-174.7-68.5-107.16.7111.5G93 D94 V136G93-R97 WeakPolarHBondContact O-CB 3.35Å; G93-R97 VanDerWaalsContact O-CG 3.27Å; G93-R97 WeakPolarHBondContact O-CG 3.23Å; G93-R97 PolarHBondContact O-N 2.78Å; D94-R97 PolarHBondContact O-N 2.95Å; D94-R97 VanDerWaalsContact O-N 3.16Å; D94-R97 IonicContact OD1-CZ 2.68Å; D94-R97 IonicContact OD1-NE 3.71Å; D94-R97 IonicContact OD1-NH2 2.63Å; D94-R97 PolarHBondContact OD1-NH2 3.42Å; R97-V136 HydrophobicContact CG-CG1 4.49Å
98Q93.1Very high92.4Very high109 Ų10962.8 Ų62.851%0.50930%0.299SS..Hα-helixtrans-63.5-41.6178.6-70.4166.215.600111.5D94 Y95D94-Q98 WeakPolarHBondContact O-CB 3.37Å; D94-Q98 WeakPolarHBondContact O-CG 3.47Å; D94-Q98 PolarHBondContact O-N 3.46Å; Y95-Q98 PolarHBondContact O-N 3.38Å
99N88.9Confident92.6Very high66 Ų6665.3 Ų65.335%0.35331%0.313SS..  trans-134.588.8-178.3-67.2-83.5000110.2Y95 K96 T101 M102Y95-N99 PolarHBondContact O-N 2.94Å; K96-N99 CarbonylContact O-C 3.59Å; N99-T101 PolarHBondContact O-N 3.27Å; N99-T101 VanDerWaalsContact O-N 3.13Å; N99-M102 HydrophobicContact CB-CB 3.86Å; N99-M102 HydrophobicContact CB-CE 4.07Å; N99-M102 VanDerWaalsContact O-CB 3.25Å; N99-M102 WeakPolarHBondContact O-CB 3.49Å; N99-M102 PolarHBondContact O-N 3.11Å
100P90.6Very high92.7Very high98 Ų9867.6 Ų67.664%0.63632%0.318SS*.THydrogen-bonded Turntrans-60.1-22.1178.5-2736.7000114.3K96K96-P100 WeakPolarHBondContact CE-O 3.43Å; K96-P100 PolarHBondContact NZ-O 3.26Å; K96-P100 WeakPolarHBondContact O-CA 3.47Å
101T92.4Very high92.8Very high118 Ų11861.6 Ų61.672%0.72429%0.29SS*.THydrogen-bonded Turntrans-70.7-29.8172.144.50000113.4N99 F103N99-T101 PolarHBondContact O-N 3.27Å; N99-T101 VanDerWaalsContact O-N 3.13Å; T101-F103 PolarHBondContact O-N 3.22Å
102M92.5Very high92.9Very high25 Ų2561.1 Ų61.112%0.12329%0.289CS..  trans-59.3128.3-167.4-170.8-179.2-8000113.2K96 N99 E106 I107K96-M102 PolarHBondContact NZ-O 3.05Å; N99-M102 HydrophobicContact CB-CB 3.86Å; N99-M102 HydrophobicContact CB-CE 4.07Å; N99-M102 VanDerWaalsContact O-CB 3.25Å; N99-M102 WeakPolarHBondContact O-CB 3.49Å; N99-M102 PolarHBondContact O-N 3.11Å; M102-E106 VanDerWaalsContact CA-OE2 3.23Å; M102-E106 WeakPolarHBondContact CA-OE2 3.42Å; M102-E106 HydrophobicContact CG-CB 3.64Å; M102-E106 VanDerWaalsContact CG-OE2 3.25Å; M102-E106 WeakPolarHBondContact CG-OE2 3.26Å; M102-E106 HydrophobicContact SD-CB 4.39Å; M102-I107 HydrophobicContact CG-CD1 4.49Å; M102-I107 HydrophobicContact CG-CG1 3.89Å; M102-I107 HydrophobicContact SD-CG1 3.66Å
103F94.4Very high92.9Very high127 Ų12765.3 Ų65.356%0.55732%0.324SS*.  trans-76.2158-177.8-66.3-76.1000112.4T101 W105 E106 I107T101-F103 PolarHBondContact O-N 3.22Å; F103-W105 HydrophobicContact CB-CG 4.32Å; F103-W105 AromaticContact CG-NE1 3.82Å; F103-W105 PolarHBondContact O-N 2.85Å; F103-E106 HydrophobicContact CB-CG 4.27Å; F103-E106 PolarHBondContact N-OE2 3.13Å; F103-E106 PolarHBondContact O-N 3.47Å; F103-I107 WeakPolarHBondContact O-CG1 3.4Å; F103-I107 PolarHBondContact O-N 3.02Å
104A94.1Very high92.8Very high8 Ų869 Ų697%0.06634%0.341CS..Hα-helixtrans-68.7-13.1-179.200000114.2R108 V125 I128 N129A104-R108 PolarHBondContact O-N 3.39Å; A104-V125 HydrophobicContact CB-CG1 3.73Å; A104-I128 HydrophobicContact CB-CB 4.21Å; A104-I128 HydrophobicContact CB-CG2 3.77Å; A104-I128 WeakPolarHBondContact O-CD1 3.48Å; A104-N129 WeakPolarHBondContact CB-ND2 3.49Å
105W94.7Very high92.6Very high138 Ų13869.5 Ų69.552%0.52336%0.358SS..Hα-helixtrans-83.9-44.7170.267-94.9000111F103 I107 R108 D109 V125F103-W105 HydrophobicContact CB-CG 4.32Å; F103-W105 AromaticContact CG-NE1 3.82Å; F103-W105 PolarHBondContact O-N 2.85Å; W105-I107 PolarHBondContact O-N 2.99Å; W105-R108 WeakPolarHBondContact O-CA 3.32Å; W105-R108 VanDerWaalsContact O-CB 3.26Å; W105-R108 WeakPolarHBondContact O-CB 3.41Å; W105-R108 PolarHBondContact O-N 2.86Å; W105-D109 PolarHBondContact O-N 3.32Å; W105-V125 HydrophobicContact CB-CG2 4.34Å
106E95.3Very high92.2Very high62 Ų6270.5 Ų70.529%0.2936%0.364SS..Hα-helixtrans-56.8-38.5172.1-60.7168.8160.800111.5M102 F103 D109 R110M102-E106 VanDerWaalsContact CA-OE2 3.23Å; M102-E106 WeakPolarHBondContact CA-OE2 3.42Å; M102-E106 HydrophobicContact CG-CB 3.64Å; M102-E106 VanDerWaalsContact CG-OE2 3.25Å; M102-E106 WeakPolarHBondContact CG-OE2 3.26Å; M102-E106 HydrophobicContact SD-CB 4.39Å; F103-E106 HydrophobicContact CB-CG 4.27Å; F103-E106 PolarHBondContact N-OE2 3.13Å; F103-E106 PolarHBondContact O-N 3.47Å; E106-D109 PolarHBondContact O-N 2.87Å; E106-R110 VanDerWaalsContact O-CB 3.24Å; E106-R110 WeakPolarHBondContact O-CB 3.24Å; E106-R110 PolarHBondContact O-N 2.84Å
107I93.8Very high91.9Very high0 Ų068.9 Ų68.90%036%0.358CS..Hα-helixtrans-64.3-39.4173.3-71.7169.2000112I92 Y95 K96 M102 F103 W105 L111 I128 I132I92-I107 HydrophobicContact CB-CG2 4.37Å; I92-I107 HydrophobicContact CG1-CG2 3.86Å; I92-I107 HydrophobicContact CG2-CG2 4.29Å; Y95-I107 HydrophobicContact CD2-CG2 4.27Å; K96-I107 HydrophobicContact CB-CD1 4.1Å; K96-I107 HydrophobicContact CD-CD1 4.2Å; M102-I107 HydrophobicContact CG-CD1 4.49Å; M102-I107 HydrophobicContact CG-CG1 3.89Å; M102-I107 HydrophobicContact SD-CG1 3.66Å; F103-I107 WeakPolarHBondContact O-CG1 3.4Å; F103-I107 PolarHBondContact O-N 3.02Å; W105-I107 PolarHBondContact O-N 2.99Å; I107-L111 HydrophobicContact CG2-CD1 4.4Å; I107-L111 VanDerWaalsContact O-CG 3.25Å; I107-L111 WeakPolarHBondContact O-CG 3.33Å; I107-L111 PolarHBondContact O-N 2.79Å; I107-I128 HydrophobicContact CB-CG2 4.17Å; I107-I128 HydrophobicContact CG2-CD1 4.36Å; I107-I128 HydrophobicContact CG2-CG2 3.66Å; I107-I132 HydrophobicContact CD1-CD1 3.84Å
108R93.3Very high91.6Very high96 Ų9667.1 Ų67.136%0.36236%0.359SS..Hα-helixtrans-62.5-48.6175178.4-160171.6-154-3.9110.2A104 W105 R110 L111 L112 V122 I128A104-R108 PolarHBondContact O-N 3.39Å; W105-R108 WeakPolarHBondContact O-CA 3.32Å; W105-R108 VanDerWaalsContact O-CB 3.26Å; W105-R108 WeakPolarHBondContact O-CB 3.41Å; W105-R108 PolarHBondContact O-N 2.86Å; R108-R110 VanDerWaalsContact C-N 3.31Å; R108-R110 PolarHBondContact O-N 3.09Å; R108-L111 WeakPolarHBondContact O-CB 3.4Å; R108-L111 PolarHBondContact O-N 3.09Å; R108-L111 VanDerWaalsContact O-N 3.16Å; R108-L112 PolarHBondContact O-N 3.29Å; R108-L112 VanDerWaalsContact O-N 3.16Å; R108-V122 HydrophobicContact CG-CG1 4.45Å; R108-V122 HydrophobicContact CG-CG2 3.67Å; R108-I128 HydrophobicContact CB-CD1 3.68Å; R108-I128 HydrophobicContact CG-CD1 4.43Å
109D94.1Very high91.3Very high68 Ų6867.7 Ų67.736%0.36437%0.366SS..Hα-helixtrans-70.5-33.2-174.2-58-16.1000110.5W105 E106 L112 A113W105-D109 PolarHBondContact O-N 3.32Å; E106-D109 PolarHBondContact O-N 2.87Å; D109-L112 PolarHBondContact O-N 2.97Å; D109-A113 WeakPolarHBondContact O-CB 3.43Å; D109-A113 PolarHBondContact O-N 3.34Å
110R93.4Very high91Very high81 Ų8172.4 Ų72.431%0.30639%0.391SS..Hα-helixtrans-70.6-30.5170.9-169172.3176.4159.70.5114Y95 E106 R108 L112 E114Y95-R110 HydrophobicContact CD2-CB 4.23Å; Y95-R110 HydrophobicContact CD2-CG 4.11Å; Y95-R110 HydrophobicContact CE1-CG 4.28Å; Y95-R110 HydrophobicContact CE2-CB 4Å; Y95-R110 HydrophobicContact CE2-CG 3.74Å; E106-R110 VanDerWaalsContact O-CB 3.24Å; E106-R110 WeakPolarHBondContact O-CB 3.24Å; E106-R110 PolarHBondContact O-N 2.84Å; R108-R110 VanDerWaalsContact C-N 3.31Å; R108-R110 PolarHBondContact O-N 3.09Å; R110-L112 VanDerWaalsContact C-N 3.32Å; R110-E114 HydrophobicContact CG-CG 4.36Å; R110-E114 IonicContact CZ-OE1 2.83Å; R110-E114 VanDerWaalsContact CZ-OE1 3.24Å; R110-E114 IonicContact NE-OE1 3.24Å; R110-E114 PolarHBondContact NE-OE1 2.87Å; R110-E114 IonicContact NH2-OE1 3.26Å; R110-E114 PolarHBondContact NH2-OE1 3.46Å; R110-E114 WeakPolarHBondContact O-CB 3.49Å; R110-E114 PolarHBondContact O-N 3.5Å
111L92.4Very high90.7Very high0 Ų071.3 Ų71.30%038%0.383CS..Hα-helixtrans-65.8-36.1170.9-75.3168.2000111.9V88 K91 I92 Y95 I107 R108 V116 C117 V122 P123 I128V88-L111 HydrophobicContact CG1-CD1 4Å; V88-L111 HydrophobicContact CG1-CD2 4.19Å; K91-L111 HydrophobicContact CB-CD2 3.94Å; I92-L111 HydrophobicContact CD1-CD1 4.13Å; I92-L111 HydrophobicContact CG1-CD1 3.84Å; Y95-L111 HydrophobicContact CE2-CD2 3.92Å; Y95-L111 HydrophobicContact CE2-CG 4.04Å; I107-L111 HydrophobicContact CG2-CD1 4.4Å; I107-L111 VanDerWaalsContact O-CG 3.25Å; I107-L111 WeakPolarHBondContact O-CG 3.33Å; I107-L111 PolarHBondContact O-N 2.79Å; R108-L111 WeakPolarHBondContact O-CB 3.4Å; R108-L111 PolarHBondContact O-N 3.09Å; R108-L111 VanDerWaalsContact O-N 3.16Å; L111-V116 HydrophobicContact CD2-CB 3.83Å; L111-V116 HydrophobicContact CD2-CG1 3.55Å; L111-V116 PolarHBondContact O-N 3.21Å; L111-C117 HydrophobicContact CB-CB 4.48Å; L111-C117 PolarHBondContact O-N 3.09Å; L111-V122 HydrophobicContact CB-CG2 4.36Å; L111-P123 HydrophobicContact CD1-CG 4.17Å; L111-I128 HydrophobicContact CD1-CD1 4.49Å
112L92.4Very high90.5Very high47 Ų4766.8 Ų66.825%0.24636%0.355CS..Hα-helixtrans-70.4-47.5173.3-65.1168000110.7R108 D109 R110 E114 G115 V122R108-L112 PolarHBondContact O-N 3.29Å; R108-L112 VanDerWaalsContact O-N 3.16Å; D109-L112 PolarHBondContact O-N 2.97Å; R110-L112 VanDerWaalsContact C-N 3.32Å; L112-E114 PolarHBondContact O-N 2.97Å; L112-G115 PolarHBondContact O-N 2.94Å; L112-V122 HydrophobicContact CD2-CB 3.99Å; L112-V122 HydrophobicContact CD2-CG1 4.17Å; L112-V122 HydrophobicContact CD2-CG2 4.25Å; L112-V122 HydrophobicContact CG-CB 4.47Å; L112-V122 HydrophobicContact CG-CG2 4.2Å
113A93.3Very high90.3Very high89 Ų8966.1 Ų66.174%0.73635%0.353SS*.Hα-helixtrans-65.7-35.3-17800000114.1D109 G115D109-A113 WeakPolarHBondContact O-CB 3.43Å; D109-A113 PolarHBondContact O-N 3.34Å; A113-G115 VanDerWaalsContact C-N 3.26Å; A113-G115 PolarHBondContact O-N 3.47Å
114E90.5Very high90.1Very high78 Ų7863.3 Ų63.336%0.36435%0.349SS..THydrogen-bonded Turntrans-83.87.4173.2-68.5-168.8-15200113.3K91 Y95 R110 L112 V116K91-E114 IonicContact NZ-OE2 2.75Å; K91-E114 PolarHBondContact NZ-OE2 3.23Å; Y95-E114 WeakPolarHBondContact CE1-OE1 3.31Å; Y95-E114 PolarHBondContact OH-OE1 3.23Å; Y95-E114 PolarHBondContact OH-OE2 3.38Å; R110-E114 HydrophobicContact CG-CG 4.36Å; R110-E114 IonicContact CZ-OE1 2.83Å; R110-E114 VanDerWaalsContact CZ-OE1 3.24Å; R110-E114 IonicContact NE-OE1 3.24Å; R110-E114 PolarHBondContact NE-OE1 2.87Å; R110-E114 IonicContact NH2-OE1 3.26Å; R110-E114 PolarHBondContact NH2-OE1 3.46Å; R110-E114 WeakPolarHBondContact O-CB 3.49Å; R110-E114 PolarHBondContact O-N 3.5Å; L112-E114 PolarHBondContact O-N 2.97Å; E114-V116 HydrophobicContact CB-CG2 3.96Å; E114-V116 PolarHBondContact O-N 3.37Å
115G86.8Confident90Very high60 Ų6065.3 Ų65.362%0.61936%0.36SS*.THydrogen-bonded Turntrans60.727.8179.400000113.9L112 A113L112-G115 PolarHBondContact O-N 2.94Å; A113-G115 VanDerWaalsContact C-N 3.26Å; A113-G115 PolarHBondContact O-N 3.47Å
116V85.9Confident89.9Confident22 Ų2263.3 Ų63.313%0.13337%0.367CS..SBendtrans-84.7-27.1179.9178.40000111V88 K91 L111 E114V88-V116 HydrophobicContact CG2-CG1 4.2Å; K91-V116 HydrophobicContact CB-CG1 4.2Å; K91-V116 HydrophobicContact CD-CG2 4.4Å; K91-V116 HydrophobicContact CG-CG1 4.05Å; K91-V116 HydrophobicContact CG-CG2 4.14Å; L111-V116 HydrophobicContact CD2-CB 3.83Å; L111-V116 HydrophobicContact CD2-CG1 3.55Å; L111-V116 PolarHBondContact O-N 3.21Å; E114-V116 HydrophobicContact CB-CG2 3.96Å; E114-V116 PolarHBondContact O-N 3.37Å
117C85.6Confident89.6Confident8 Ų862.8 Ų62.85%0.05437%0.37CS..SBendtrans-137.2152.2171.3-62.40000110.5V88 L111 V122V88-C117 VanDerWaalsContact CG2-SG 3.55Å; L111-C117 HydrophobicContact CB-CB 4.48Å; L111-C117 PolarHBondContact O-N 3.09Å; C117-V122 HydrophobicContact CB-CB 3.7Å; C117-V122 HydrophobicContact CB-CG2 3.95Å
118D86.6Confident89.5Confident109 Ų10962.8 Ų62.858%0.58337%0.37SS*.  trans-88.7170.6165.2-35.9-85.4000110D120 T121 V122D118-D120 VanDerWaalsContact C-N 3.25Å; D118-D120 PolarHBondContact O-N 3.11Å; D118-T121 PolarHBondContact N-OG1 3.27Å; D118-T121 PolarHBondContact O-N 3.3Å; D118-T121 VanDerWaalsContact O-N 3.12Å; D118-T121 PolarHBondContact OD2-OG1 3.23Å; D118-V122 WeakPolarHBondContact O-CB 3.32Å; D118-V122 PolarHBondContact O-N 3.2Å
119N86.3Confident89.6Confident122 Ų12261 Ų6165%0.65237%0.368SS*.THydrogen-bonded Turntrans-59.3-33.4179.1-88-74.2000113.8
120D82.8Confident89.3Confident164 Ų16466.9 Ų66.988%0.87739%0.385SS*.THydrogen-bonded Turntrans-87.5-16.7177.7-59.1-68.9000113.8D118D118-D120 VanDerWaalsContact C-N 3.25Å; D118-D120 PolarHBondContact O-N 3.11Å
121T84.7Confident89.2Confident76 Ų7664.4 Ų64.447%0.46638%0.377SS..THydrogen-bonded Turntrans-104.1-9.1-178.564.80000113.5D118D118-T121 PolarHBondContact N-OG1 3.27Å; D118-T121 PolarHBondContact O-N 3.3Å; D118-T121 VanDerWaalsContact O-N 3.12Å; D118-T121 PolarHBondContact OD2-OG1 3.23Å
122V86.9Confident89.1Confident22 Ų2264.8 Ų64.813%0.13338%0.379CS..SBendtrans-70129.2179.174.60000112.1R108 L111 L112 C117 D118R108-V122 HydrophobicContact CG-CG1 4.45Å; R108-V122 HydrophobicContact CG-CG2 3.67Å; L111-V122 HydrophobicContact CB-CG2 4.36Å; L112-V122 HydrophobicContact CD2-CB 3.99Å; L112-V122 HydrophobicContact CD2-CG1 4.17Å; L112-V122 HydrophobicContact CD2-CG2 4.25Å; L112-V122 HydrophobicContact CG-CB 4.47Å; L112-V122 HydrophobicContact CG-CG2 4.2Å; C117-V122 HydrophobicContact CB-CB 3.7Å; C117-V122 HydrophobicContact CB-CG2 3.95Å; D118-V122 WeakPolarHBondContact O-CB 3.32Å; D118-V122 PolarHBondContact O-N 3.2Å
123P88.2Confident88.9Confident12 Ų1270.4 Ų70.48%0.07840%0.397CS..PPolyproline II helixtrans-68.1142.6178.226.2-33.5000111.5V88 I92 L111 I128V88-P123 HydrophobicContact CG1-CG 3.91Å; I92-P123 HydrophobicContact CD1-CG 4.09Å; L111-P123 HydrophobicContact CD1-CG 4.17Å; P123-I128 HydrophobicContact CB-CG1 4.15Å; P123-I128 HydrophobicContact CG-CD1 4.23Å; P123-I128 HydrophobicContact CG-CG1 3.82Å; P123-I128 WeakPolarHBondContact O-CD1 3.5Å
124S91Very high88.4Confident67 Ų6770.3 Ų70.347%0.46939%0.387SS..PPolyproline II helixtrans-63.2153.6176.664.30000112.3S126 S127 I128S124-S126 PolarHBondContact O-N 2.91Å; S124-S126 VanDerWaalsContact O-N 3.11Å; S124-S127 CarbonylContact O-C 3.59Å; S124-S127 WeakPolarHBondContact O-CA 3.33Å; S124-S127 VanDerWaalsContact O-CB 3.28Å; S124-S127 WeakPolarHBondContact O-CB 3.46Å; S124-S127 PolarHBondContact O-N 2.91Å; S124-S127 PolarHBondContact OG-OG 2.68Å; S124-I128 PolarHBondContact O-N 3.15Å
125V92.7Very high87.7Confident51 Ų5173.4 Ų73.431%0.30940%0.4SS..Hα-helixtrans-54.3-35.4-178-178.30000112.4A104 W105 N129A104-V125 HydrophobicContact CB-CG1 3.73Å; W105-V125 HydrophobicContact CB-CG2 4.34Å; V125-N129 PolarHBondContact O-N 3.03Å; V125-N129 PolarHBondContact O-ND2 3.03Å
126S92.4Very high87Confident95 Ų9572.1 Ų72.166%0.66438%0.38SS*.Hα-helixtrans-67.8-35.2173.6-51.90000113S124 R130S124-S126 PolarHBondContact O-N 2.91Å; S124-S126 VanDerWaalsContact O-N 3.11Å; S126-R130 PolarHBondContact O-N 3.05Å
127S89.4Confident85.9Confident51 Ų5177.3 Ų77.336%0.35740%0.403SS..Hα-helixtrans-71.9-41176-54.80000111.3S124 R130 I131S124-S127 CarbonylContact O-C 3.59Å; S124-S127 WeakPolarHBondContact O-CA 3.33Å; S124-S127 VanDerWaalsContact O-CB 3.28Å; S124-S127 WeakPolarHBondContact O-CB 3.46Å; S124-S127 PolarHBondContact O-N 2.91Å; S124-S127 PolarHBondContact OG-OG 2.68Å; S127-R130 WeakPolarHBondContact O-CB 3.34Å; S127-R130 PolarHBondContact O-N 2.9Å; S127-I131 WeakPolarHBondContact O-CG1 3.46Å; S127-I131 PolarHBondContact O-N 3.07Å
128I92.1Very high84.4Confident0 Ų081.7 Ų81.70%042%0.422CS..Hα-helixtrans-59.2-47.7172.5-65.2169.1000110.3I92 A104 I107 R108 L111 P123 S124 R130 I131 I132I92-I128 HydrophobicContact CD1-CG1 4.03Å; I92-I128 HydrophobicContact CG2-CG2 4.1Å; A104-I128 HydrophobicContact CB-CB 4.21Å; A104-I128 HydrophobicContact CB-CG2 3.77Å; A104-I128 WeakPolarHBondContact O-CD1 3.48Å; I107-I128 HydrophobicContact CB-CG2 4.17Å; I107-I128 HydrophobicContact CG2-CD1 4.36Å; I107-I128 HydrophobicContact CG2-CG2 3.66Å; R108-I128 HydrophobicContact CB-CD1 3.68Å; R108-I128 HydrophobicContact CG-CD1 4.43Å; L111-I128 HydrophobicContact CD1-CD1 4.49Å; P123-I128 HydrophobicContact CB-CG1 4.15Å; P123-I128 HydrophobicContact CG-CD1 4.23Å; P123-I128 HydrophobicContact CG-CG1 3.82Å; P123-I128 WeakPolarHBondContact O-CD1 3.5Å; S124-I128 PolarHBondContact O-N 3.15Å; I128-R130 VanDerWaalsContact C-N 3.31Å; I128-R130 PolarHBondContact O-N 2.86Å; I128-I131 WeakPolarHBondContact O-CB 3.3Å; I128-I131 PolarHBondContact O-N 3.35Å; I128-I131 VanDerWaalsContact O-N 3.13Å; I128-I132 HydrophobicContact CG2-CD1 3.92Å; I128-I132 HydrophobicContact CG2-CG1 4.49Å; I128-I132 WeakPolarHBondContact O-CG1 3.37Å; I128-I132 PolarHBondContact O-N 3.26Å
129N93.5Very high82.6Confident58 Ų5881.2 Ų81.231%0.3143%0.425SS..Hα-helixtrans-59-39.2174.8-85.9-64.2000113.2A104 V125 I132 R133A104-N129 WeakPolarHBondContact CB-ND2 3.49Å; V125-N129 PolarHBondContact O-N 3.03Å; V125-N129 PolarHBondContact O-ND2 3.03Å; N129-I132 PolarHBondContact O-N 2.86Å; N129-R133 WeakPolarHBondContact O-CG 3.32Å; N129-R133 PolarHBondContact O-N 3.2Å; N129-R133 VanDerWaalsContact O-N 3.13Å
130R89.4Confident80.4Confident193 Ų19383.8 Ų83.873%0.72843%0.431SS*.Hα-helixtrans-64.3-43.5174.1-173.2177.6-178169.22.2111.4S126 S127 I128 R133 T134S126-R130 PolarHBondContact O-N 3.05Å; S127-R130 WeakPolarHBondContact O-CB 3.34Å; S127-R130 PolarHBondContact O-N 2.9Å; I128-R130 VanDerWaalsContact C-N 3.31Å; I128-R130 PolarHBondContact O-N 2.86Å; R130-R133 PolarHBondContact O-N 3.48Å; R130-T134 WeakPolarHBondContact O-CB 3.29Å; R130-T134 PolarHBondContact O-N 3.19Å; R130-T134 PolarHBondContact O-OG1 3Å; R130-T134 VanDerWaalsContact O-OG1 3.09Å
131I89.9Confident78.4Confident28 Ų2882.4 Ų82.414%0.14442%0.424CS..Hα-helixtrans-60.4-47.7176.1-70.5162.6000110.7V89 I92 S127 I128 R133 T134 K135V89-I131 HydrophobicContact CG1-CG2 3.94Å; V89-I131 HydrophobicContact CG2-CD1 4.26Å; I92-I131 HydrophobicContact CB-CG2 4.19Å; I92-I131 HydrophobicContact CD1-CD1 3.71Å; I92-I131 HydrophobicContact CD1-CG2 4.27Å; I92-I131 HydrophobicContact CG2-CB 4.37Å; I92-I131 HydrophobicContact CG2-CG2 3.73Å; S127-I131 WeakPolarHBondContact O-CG1 3.46Å; S127-I131 PolarHBondContact O-N 3.07Å; I128-I131 WeakPolarHBondContact O-CB 3.3Å; I128-I131 PolarHBondContact O-N 3.35Å; I128-I131 VanDerWaalsContact O-N 3.13Å; I131-R133 PolarHBondContact O-N 3.35Å; I131-T134 PolarHBondContact O-N 3.49Å; I131-K135 HydrophobicContact CG2-CB 4.43Å; I131-K135 WeakPolarHBondContact O-CA 3.47Å; I131-K135 WeakPolarHBondContact O-CB 3.31Å; I131-K135 PolarHBondContact O-N 3.23Å
132I90.2Very high76.2Confident8 Ų885.5 Ų85.54%0.04144%0.436CS..Iπ-helixtrans-54.8-51177.6-68.5166000110.9I92 K96 I107 I128 N129 T134 V136 Q137I92-I132 HydrophobicContact CG2-CG1 3.89Å; K96-I132 HydrophobicContact CD-CD1 4.41Å; K96-I132 HydrophobicContact CG-CD1 4.25Å; K96-I132 HydrophobicContact CG-CG1 4.21Å; K96-I132 HydrophobicContact CG-CG2 4.05Å; I107-I132 HydrophobicContact CD1-CD1 3.84Å; I128-I132 HydrophobicContact CG2-CD1 3.92Å; I128-I132 HydrophobicContact CG2-CG1 4.49Å; I128-I132 WeakPolarHBondContact O-CG1 3.37Å; I128-I132 PolarHBondContact O-N 3.26Å; N129-I132 PolarHBondContact O-N 2.86Å; I132-T134 PolarHBondContact O-N 3.38Å; I132-V136 HydrophobicContact CG2-CB 4.46Å; I132-V136 WeakPolarHBondContact O-CA 3.46Å; I132-V136 WeakPolarHBondContact O-CB 3.27Å; I132-V136 PolarHBondContact O-N 3.45Å; I132-Q137 PolarHBondContact O-N 2.82Å
133R87.9Confident73.9Confident166 Ų16689.3 Ų89.363%0.62646%0.462SS*.Iπ-helixtrans-65.5-35.5-179.6-67.2174.2-171-179.52.8113.4N129 R130 I131 Q138N129-R133 WeakPolarHBondContact O-CG 3.32Å; N129-R133 PolarHBondContact O-N 3.2Å; N129-R133 VanDerWaalsContact O-N 3.13Å; R130-R133 PolarHBondContact O-N 3.48Å; I131-R133 PolarHBondContact O-N 3.35Å; R133-Q138 VanDerWaalsContact O-CG 3.31Å; R133-Q138 WeakPolarHBondContact O-CG 3.37Å
134T82.8Confident71.4Confident86 Ų8697.3 Ų97.353%0.52850%0.5SS..Iπ-helixtrans-94.2-17.2-174.5-55.20000114.4R130 I131 I132R130-T134 WeakPolarHBondContact O-CB 3.29Å; R130-T134 PolarHBondContact O-N 3.19Å; R130-T134 PolarHBondContact O-OG1 3Å; R130-T134 VanDerWaalsContact O-OG1 3.09Å; I131-T134 PolarHBondContact O-N 3.49Å; I132-T134 PolarHBondContact O-N 3.38Å
135K77.5Confident68.9Low143 Ų143100.5 Ų100.562%0.62251%0.512SS*.Iπ-helixtrans-131.1-15.6-174.1-68.9-64.7-170177.10115.8V89 I131V89-K135 HydrophobicContact CG1-CB 4.46Å; V89-K135 HydrophobicContact CG1-CG 4.1Å; I131-K135 HydrophobicContact CG2-CB 4.43Å; I131-K135 WeakPolarHBondContact O-CA 3.47Å; I131-K135 WeakPolarHBondContact O-CB 3.31Å; I131-K135 PolarHBondContact O-N 3.23Å
136V70.7Confident66.1Low33 Ų33104 Ų10420%0.254%0.539CS..Iπ-helixtrans-113.5-43.8-177.4-168.70000110.9K96 R97 I132 Q138K96-V136 HydrophobicContact CB-CG1 4.27Å; K96-V136 HydrophobicContact CG-CG1 4.27Å; R97-V136 HydrophobicContact CG-CG1 4.49Å; I132-V136 HydrophobicContact CG2-CB 4.46Å; I132-V136 WeakPolarHBondContact O-CA 3.46Å; I132-V136 WeakPolarHBondContact O-CB 3.27Å; I132-V136 PolarHBondContact O-N 3.45Å; V136-Q138 VanDerWaalsContact C-N 3.29Å
137Q63.9Low63.3Low132 Ų132104.4 Ų104.462%0.61754%0.54SS*.SBendtrans-86.33.7172.9-69.4178.6-48.200113.8I132 P139I132-Q137 PolarHBondContact O-N 2.82Å; Q137-P139 VanDerWaalsContact C-CD 3.42Å; Q137-P139 WeakPolarHBondContact O-CD 3.37Å
138Q52.9Low60.9Low99 Ų99109.5 Ų109.546%0.46357%0.569SS.*  trans-118.476.3173.9-75.1-74-45.500109.2R133 V136 F140 N141R133-Q138 VanDerWaalsContact O-CG 3.31Å; R133-Q138 WeakPolarHBondContact O-CG 3.37Å; V136-Q138 VanDerWaalsContact C-N 3.29Å; Q138-F140 PolarHBondContact O-N 2.61Å; Q138-N141 PolarHBondContact OE1-ND2 3.12Å
139P48.8Very low58.6Low100 Ų100113.7 Ų113.765%0.64960%0.604SS**  trans-66.2104.6168.429.1-32.7000108.3Q137Q137-P139 VanDerWaalsContact C-CD 3.42Å; Q137-P139 WeakPolarHBondContact O-CD 3.37Å
140F41.9Very low55.8Low176 Ų176117.7 Ų117.777%0.77263%0.63SS**  trans5098168.9-49.7-82.4000115.8Q138 L142Q138-F140 PolarHBondContact O-N 2.61Å; F140-L142 HydrophobicContact CB-CD1 3.83Å; F140-L142 WeakPolarHBondContact O-CD1 3.12Å; F140-L142 PolarHBondContact O-N 3.05Å
141N39.2Very low53.2Low135 Ų135118.2 Ų118.272%0.72264%0.638SS**  trans-66.892.8150.2-79.8-135000107.1Q138Q138-N141 PolarHBondContact OE1-ND2 3.12Å
142L38.9Very low50.8Low140 Ų140122.1 Ų122.173%0.73367%0.668SS**  trans-59.2140.4163.9-80.576.8000108F140 M144F140-L142 HydrophobicContact CB-CD1 3.83Å; F140-L142 WeakPolarHBondContact O-CD1 3.12Å; F140-L142 PolarHBondContact O-N 3.05Å; L142-M144 PolarHBondContact O-N 3.46Å
143P38.3Very low48.2Very low103 Ų103130.2 Ų130.267%0.66971%0.71SS**  trans-56.6125.5158-18.932.2000108.6D145P143-D145 PolarHBondContact O-N 3.28Å
144M36.3Very low45.5Very low179 Ų179127.4 Ų127.488%0.88272%0.716SS**  trans-78.864.6176.1-173.172.9-171.300109.6L142L142-M144 PolarHBondContact O-N 3.46Å
145D37.9Very low43.9Very low135 Ų135129.1 Ų129.172%0.72273%0.729SS**  trans-123.3131.9179.7-73.4-66000109.5P143P143-D145 PolarHBondContact O-N 3.28Å
146S35.1Very low41.6Very low124 Ų124125.4 Ų125.487%0.86773%0.731SS**  trans73.691.5176.7-162.30000118.8
147C32.1Very low39.9Very low103 Ų103132.7 Ų132.770%0.69676%0.762SS**  trans-159.634143.561.20000115.3A149C147-A149 PolarHBondContact O-N 3.43Å
148V40.3Very low38.4Very low158 Ų158131.8 Ų131.896%0.95877%0.766SS**  trans-77.348.1173.3-70.80000113.1
149A43.1Very low37.5Very low89 Ų89135 Ų13574%0.73679%0.785SS**  trans-156.752.1-172.200000116.2C147C147-A149 PolarHBondContact O-N 3.43Å
150T33.9Very low37.3Very low141 Ų141137.8 Ų137.887%0.86579%0.793SS**  trans-141.8142.9149.336.20000110.7
151K35.9Very low37.2Very low205 Ų205134.7 Ų134.789%0.89179%0.79SS**  trans-82157-178.7-70.6176.7178.2175.90111.4
152S38.7Very low37.1Very low110 Ų110133.3 Ų133.377%0.76979%0.792SS**  trans-46.5136.6164.953.10000114.1
153L36.1Very low36.9Very low178 Ų178132.6 Ų132.693%0.93280%0.798SS**  trans-159.4156.1141.3-104.2160.1000108.5
154S30.8Very low36.5Very low106 Ų106132 Ų13274%0.74180%0.802SS**  trans-147.6-174.4-171.9-157.40000108.9
155P50Low36.3Very low123 Ų123130.5 Ų130.580%0.79980%0.802SS**  -121.9171.2-8639.4-26.6000113.7
156G29.4Very low36.2Very low64 Ų64129.7 Ų129.766%0.6680%0.803SS**  trans153.5140.8155.200000117.3
157H34.1Very low36.4Very low187 Ų187129.4 Ų129.487%0.86680%0.798SS**  trans56.6138.4148.4-78.1-79.3000120.6
158T32.2Very low37.1Very low113 Ų113130.3 Ų130.369%0.69380%0.803SS**  cis-159.2156-15.3-36.90000107.4
159L33.7Very low36.7Very low165 Ų165131.4 Ų131.486%0.86480%0.797SS**  trans175.3108.2136.8-98.2175.6000110.9
160I44.5Very low36.1Very low160 Ų160131.4 Ų131.482%0.82179%0.792SS**  trans-145.6125.3170.4-64.7-178.5000108.3
161P40.4Very low36.6Very low110 Ų110130.3 Ų130.371%0.71479%0.787SS**  -142.4158.5125.236.4-23.4000111.5
162S38Very low36.7Very low107 Ų107129.1 Ų129.175%0.74879%0.785SS**  cis-155.2164.6-12-87.40000105.4
163S33.6Very low36.3Very low124 Ų124129.5 Ų129.587%0.86779%0.788SS**  cis-149.7159.638.1-60.90000111.9
164A31.2Very low36.2Very low91 Ų91128.5 Ų128.575%0.75278%0.783SS**  trans-118.8155.3-178.700000112.7
165V32.3Very low37Very low147 Ų147128.9 Ų128.989%0.89179%0.786SS**  trans-124.3134.4153.4165.80000106.7
166T35.9Very low36.7Very low119 Ų119130.2 Ų130.273%0.7379%0.785SS**PPolyproline II helixtrans-96.8138.6-163.948.60000113.5
167P38Very low37.5Very low117 Ų117130.3 Ų130.376%0.7679%0.787SS**PPolyproline II helixtrans-83.9146.9155.434.9-31.1000110.8
168P46.6Very low38.3Very low123 Ų123125.4 Ų125.480%0.79977%0.773SS**PPolyproline II helixtrans-89.7154.8169.635.3-33.4000113.1
169E33.1Very low39.3Very low180 Ų180125.6 Ų125.684%0.84178%0.775SS**PPolyproline II helixtrans-58.9167.1157.2-90.2-166.261.300112.3
170S30.4Very low40.2Very low89 Ų89126.9 Ų126.962%0.62277%0.769SS**  cis-167.8-171.92.5-117.10000106.7
171P43.3Very low40.7Very low119 Ų119122.1 Ų122.177%0.77375%0.75SS**  cis-127-149.3-17.639.5-20000111.8
172Q37.5Very low41.6Very low180 Ų180122.8 Ų122.884%0.84175%0.746SS**  trans-73.9146.2-178.1-53.9156.9-89.800115.1
173S30.6Very low42.8Very low118 Ų118122.3 Ų122.383%0.82574%0.735SS**  -179.7157.5129.6-78.60000111.9
174D35.1Very low44Very low157 Ų157119.5 Ų119.584%0.8473%0.726SS**  trans-73.7170.9-173.7-59.8-92.5000115.8
175S46.2Very low45.4Very low114 Ų114121.9 Ų121.980%0.79773%0.725SS**  trans99.967.2166.9-44.40000118.2
176L43.8Very low46.3Very low150 Ų150120.7 Ų120.779%0.78571%0.713SS**  trans-122.154.4163.7-74.6179.8000113.6S178L176-S178 VanDerWaalsContact C-N 3.29Å; L176-S178 PolarHBondContact O-N 2.8Å
177G47.9Very low47Very low67 Ų67118.2 Ų118.269%0.69171%0.712SS**THydrogen-bonded Turntrans-78.264.9171.500000113.5
178S50.7Low47.5Very low84 Ų84117.8 Ų117.859%0.58770%0.701SS**THydrogen-bonded Turntrans-156.5-11171.6-149.50000116.6L176 Y180 S181L176-S178 VanDerWaalsContact C-N 3.29Å; L176-S178 PolarHBondContact O-N 2.8Å; S178-Y180 PolarHBondContact O-N 3.2Å; S178-S181 PolarHBondContact O-N 2.88Å
179T52.8Low47.4Very low117 Ų117116.3 Ų116.372%0.71870%0.7SS**THydrogen-bonded Turntrans-70.612.8-170.9-250000115.7
180Y51.7Low47.8Very low192 Ų192114.7 Ų114.775%0.75369%0.692SS**THydrogen-bonded Turntrans-142.422-178.537.1-99.2000112.8S178S178-Y180 PolarHBondContact O-N 3.2Å
181S56.8Low48.2Very low59 Ų59116 Ų11641%0.41370%0.698SS.*SBendtrans-92.9142166.9-173.10000111.3S178 N183 G184S178-S181 PolarHBondContact O-N 2.88Å; S181-N183 PolarHBondContact O-N 2.87Å; S181-G184 PolarHBondContact O-N 2.69Å
182I57.9Low47.9Very low124 Ų124114.1 Ų114.164%0.63670%0.701SS**Hα-helixtrans-56.8-37.7-173.4-65.1170.9000111.9G184 L185 L186I182-G184 PolarHBondContact O-N 3.14Å; I182-L185 PolarHBondContact O-N 3.49Å; I182-L185 VanDerWaalsContact O-N 3.08Å; I182-L186 HydrophobicContact CG2-CD1 4.46Å; I182-L186 PolarHBondContact O-N 3.09Å
183N63.1Low47.8Very low98 Ų98111.5 Ų111.552%0.52470%0.702SS.*Hα-helixtrans-61.8-31.9179.6-61.141.9000112.5S181 G187S181-N183 PolarHBondContact O-N 2.87Å; N183-G187 PolarHBondContact O-N 3.3Å
184G60.1Low47.9Very low65 Ų65112.9 Ų112.967%0.6770%0.701SS**Hα-helixtrans-74.6-23.5176.500000113.7S181 I182S181-G184 PolarHBondContact O-N 2.69Å; I182-G184 PolarHBondContact O-N 3.14Å
185L59.7Low48Very low141 Ų141114.5 Ų114.574%0.73870%0.7SS**Hα-helixtrans-84.7-23.2176.8-84.2158.4000113.4I182I182-L185 PolarHBondContact O-N 3.49Å; I182-L185 VanDerWaalsContact O-N 3.08Å
186L51.3Low47.8Very low122 Ų122121 Ų12164%0.63971%0.707SS**THydrogen-bonded Turntrans-96.7-1.9178.3-93.468.2000114I182 I188I182-L186 HydrophobicContact CG2-CD1 4.46Å; I182-L186 PolarHBondContact O-N 3.09Å; L186-I188 HydrophobicContact CB-CD1 4.27Å; L186-I188 HydrophobicContact CB-CG1 4.21Å; L186-I188 PolarHBondContact O-N 3.02Å
187G50.2Low47.4Very low67 Ų67123.2 Ų123.269%0.69171%0.711SS**THydrogen-bonded Turntrans67.514174.100000115.6N183 A189N183-G187 PolarHBondContact O-N 3.3Å; G187-A189 PolarHBondContact O-N 2.92Å; G187-A189 VanDerWaalsContact O-N 3.14Å
188I48.4Very low47.1Very low107 Ų107128.1 Ų128.155%0.54972%0.718SS.*  trans-80.997.3-177.5-52.7174.9000109.1L186 Q190L186-I188 HydrophobicContact CB-CD1 4.27Å; L186-I188 HydrophobicContact CB-CG1 4.21Å; L186-I188 PolarHBondContact O-N 3.02Å; I188-Q190 PolarHBondContact O-N 3.31Å
189A43.9Very low46.3Very low92 Ų92131.1 Ų131.176%0.7673%0.727SS**PPolyproline II helixtrans-61.6124.4175.100000111.1G187G187-A189 PolarHBondContact O-N 2.92Å; G187-A189 VanDerWaalsContact O-N 3.14Å
190Q42.9Very low45.7Very low146 Ų146132.4 Ų132.468%0.68273%0.73SS**PPolyproline II helixtrans-95130.6167.4-74.7-70.7-40.100108.9I188 G192I188-Q190 PolarHBondContact O-N 3.31Å; Q190-G192 PolarHBondContact O-N 2.92Å
191P38.7Very low45.1Very low116 Ų116128.2 Ų128.275%0.75373%0.728SS**PPolyproline II helixtrans-68.5131.9173.429.4-33000109.7
192G37.2Very low44.5Very low80 Ų80132 Ų13283%0.82574%0.744SS**PPolyproline II helixtrans-71.1157179.900000113Q190Q190-G192 PolarHBondContact O-N 2.92Å
193S34.2Very low43.7Very low125 Ų125135.5 Ų135.587%0.87476%0.758SS**  trans-141.9144.6159.251.70000110.2
194D34.4Very low42.4Very low148 Ų148138.2 Ų138.279%0.79177%0.772SS**  trans-88.4167-164.7-121.9-65000114.3R196D194-R196 PolarHBondContact O-N 2.97Å
195K36.2Very low41.2Very low191 Ų191140.4 Ų140.483%0.8378%0.777SS**  trans-40.4130.6179.7-58.9165.1-174.1171.10113.7
196R41.5Very low39.9Very low250 Ų250139.2 Ų139.294%0.94378%0.779SS**  trans-139.7149.1144.8-107.1-174.4-66168.92.1111.7D194D194-R196 PolarHBondContact O-N 2.97Å
197K36.6Very low39.3Very low197 Ų197144.8 Ų144.886%0.85779%0.792SS**  trans-109115.5-176.4168.5-152.9172-166.40107.9
198M40.8Very low38.6Very low170 Ų170149.6 Ų149.684%0.83780%0.801SS**  trans-164.5111161.1-127.659.6170.300104
199D33.9Very low37.9Very low147 Ų147149.5 Ų149.579%0.78681%0.81SS**  94.7136.775.7-159.9-139.3000110.1
200D39.6Very low37.4Very low144 Ų144152.8 Ų152.877%0.7781%0.813SS**  trans-110.2130.6-164.4-169.7-136.5000109.3
201S40.6Very low36.8Very low103 Ų103151.2 Ų151.272%0.7281%0.809SS**  trans-162122.1-179.6-78.60000112.5
202D42.6Very low36.6Very low140 Ų140151.7 Ų151.775%0.74982%0.815SS**  trans-69.1150177.1-45.8-101.9000113.5
203Q41.3Very low36.6Very low197 Ų197156.6 Ų156.692%0.92182%0.817SS**  -165.2127.3127.2-113.1148102.900113.9
204D35.8Very low36.3Very low154 Ų154156.6 Ų156.682%0.82482%0.817SS**  trans-64147.1160-72.6-94.1000112.4
205S35.6Very low36.5Very low111 Ų111155 Ų15578%0.77682%0.817SS**  trans-162.4127.3142.5-89.40000114.3
206C33.3Very low36.3Very low117 Ų117151.9 Ų151.979%0.79182%0.82SS**  trans36.6113.2137.1-53.70000118
207R37.3Very low35.8Very low238 Ų238145.4 Ų145.490%0.89881%0.813SS**  cis49.391.245.9-81-164.1170.1-135.5-2.2116
208L36.3Very low35.5Very low168 Ų168139.3 Ų139.388%0.8881%0.806SS**  trans-153.7140.9132.9-69-173.5000105.5
209S33.3Very low35.9Very low105 Ų105136.8 Ų136.873%0.73480%0.802SS**  cis73.695.125.6-62.10000116.4
210I33Very low35.9Very low162 Ų162139.7 Ų139.783%0.83180%0.802SS**  trans-157.2160.1130.8-151.858.8000112.3
211D31.6Very low36Very low112 Ų112141.8 Ų141.860%0.59980%0.804SS**  trans-63.2159.8-167.5-68.5-111000119.6
212S34.8Very low35.7Very low126 Ų126145.9 Ų145.988%0.88181%0.811SS**  -162.4134.1114-79.80000112.2
213Q36Very low35.4Very low183 Ų183146.2 Ų146.286%0.85581%0.812SS**  trans-108.2136.3174.2-63-177.944.900111.3
214S28.9Very low35Very low125 Ų125147.9 Ų147.987%0.87481%0.81SS**  trans-159.7145.5153.8-171.40000109.7
215S37.8Very low35Very low114 Ų114145.6 Ų145.680%0.79780%0.802SS**  trans-129.5137.3-171.4570000112.5
216S31.2Very low34.7Very low127 Ų127147.7 Ų147.789%0.88880%0.804SS**  trans-167.3167.6159.9440000111.4
217S32.3Very low34.9Very low114 Ų114145.7 Ų145.780%0.79780%0.796SS**  trans-76157.6-174.250.60000114.6
218G30.5Very low34.5Very low69 Ų69144.1 Ų144.171%0.71180%0.796SS**  trans-72.9-155.8165.100000113.2
219P47.3Very low34.2Very low116 Ų116140.4 Ų140.475%0.75378%0.784SS**  cis-140.1-163.413.240.1-19.2000115.2
220R34.6Very low34.1Very low208 Ų208142.4 Ų142.479%0.78578%0.782SS**  trans85.4111.8143.4-171.9-176.5-71.1-176.6-1.2120.7
221K42.7Very low34Very low188 Ų188141.8 Ų141.882%0.81778%0.775SS**  trans61.3127.8149.9-65.8178.5179.5-170.10120.3
222H34.5Very low34Very low190 Ų190143.5 Ų143.588%0.8878%0.78SS**  -153.9-179.9119.2-137.7-103.8000114.9
223L35.9Very low34.1Very low146 Ų146143.8 Ų143.876%0.76477%0.771SS**  trans-118.4170.7-167-177.769.3000111.4
224R32.4Very low33.8Very low233 Ų233141.4 Ų141.488%0.87976%0.759SS**  trans116.9158.7151.2-158.3178.4-154.51545.9115.1
225T34.8Very low34.2Very low105 Ų105141.5 Ų141.564%0.64476%0.757SS**  177.7127-56.9-79.10000108.2
226D30.2Very low34.2Very low155 Ų155142.4 Ų142.483%0.82975%0.752SS**  trans-154.7139.6158.5-79-57.3000106.6
227A37.3Very low34.3Very low75 Ų75143.5 Ų143.562%0.6274%0.743SS**  cis80.113136.800000112.5
228F29.3Very low34.3Very low205 Ų205144.3 Ų144.390%0.89975%0.748SS**  cis-153.1169.43.1-92.4-61000107
229S30.4Very low34.9Very low90 Ų90145.6 Ų145.663%0.62974%0.743SS**  cis-163.5-166.3-14.9-162.10000104.7
230Q30.1Very low34Very low147 Ų147149.2 Ų149.269%0.68775%0.747SS**  cis-166.5170.80-157160-76.100109.6
231H31.4Very low33.8Very low149 Ų149145.9 Ų145.969%0.6974%0.741SS**  trans66.9141.8171.2-70.3-86.7000116.6
232H32.2Very low33.3Very low149 Ų149146.5 Ų146.569%0.6974%0.738SS**  cis-153.4150.35.5-152.2-159.6000112.7
233L36.3Very low33.1Very low132 Ų132144.6 Ų144.669%0.69173%0.729SS**  trans71105.8161.8-57.6179.4000122.1
234E30.3Very low32.8Very low133 Ų133145.3 Ų145.362%0.62173%0.728SS**  53.6123.6117.7-74-84.279.100122L236E234-L236 WeakPolarHBondContact OE2-CG 3.27Å
235P37.7Very low32.8Very low127 Ų127143.9 Ų143.983%0.82572%0.724SS**  -138.6133.511536.2-23.9000115.3
236L36.9Very low33.1Very low133 Ų133144.3 Ų144.370%0.69673%0.729SS**  trans-84.9123.1170.8-72.1175.6000110.6E234E234-L236 WeakPolarHBondContact OE2-CG 3.27Å
237E34Very low33Very low150 Ų150144.6 Ų144.670%0.70173%0.726SS**  91121.573.7-100.1-98.587.600113.7
238C31.9Very low32.7Very low131 Ų131144.3 Ų144.389%0.88572%0.723SS**  trans-167110.9153.9-115.50000109.8
239P42.4Very low32.7Very low95 Ų95145.1 Ų145.162%0.61772%0.722SS**  trans-97.6167-17937.7-36.2000113.6
240F29.1Very low32.6Very low192 Ų192145.3 Ų145.384%0.84273%0.729SS**  trans165.2102.1149.2-105.7-79.5000106.4
241E30.9Very low32.7Very low139 Ų139143.8 Ų143.865%0.6573%0.734SS**  93.289.162.2-165175.9-168.800115.3
242R31.5Very low33.3Very low200 Ų200141.8 Ų141.876%0.75573%0.734SS**  65.3155.4129.4-140-167.6-133.3104.35.1122
243Q30.7Very low33.1Very low150 Ų150139.1 Ų139.170%0.70173%0.732SS**  trans87.6139160.9-45.5-134.713.400116.6
244H28.7Very low33Very low161 Ų161141.5 Ų141.575%0.74574%0.74SS**  cis-154.2163-13.7-132.5-114.8000109.6
245Y32.6Very low33Very low203 Ų203142.7 Ų142.780%0.79676%0.756SS**  trans-113.3147.2173.5-131.3-95.4000110.1
246P41Very low32.8Very low114 Ų114146 Ų14674%0.7476%0.757SS**  -138146115.132.9-17.8000111.6
247E29.2Very low32.4Very low162 Ų162143 Ų14376%0.75776%0.759SS**  62.8135.561.5-72.2-155.29900114.9
248A29.6Very low32.2Very low69 Ų69143.3 Ų143.357%0.5776%0.761SS**  cis-169.5176.1-1400000111.6
249Y30.6Very low32.2Very low222 Ų222145.2 Ų145.287%0.87176%0.757SS**  trans81.3156.1156.1-76.3-74000123.8
250A28.2Very low31.6Very low93 Ų93144 Ų14477%0.76976%0.761SS**  trans80.994154.600000120.6
251S31.4Very low31.9Very low115 Ų115142.4 Ų142.480%0.80476%0.76SS**  trans-89.4154.2133.6-151.90000107.8
252P44Very low31.8Very low107 Ų107146.1 Ų146.170%0.69577%0.77SS**  -155.5172.979.640.2-19.7000118.4
253S27Very low32.2Very low93 Ų93141.2 Ų141.265%0.6576%0.764SS**  trans64.3122.1142.460.50000123.6
254H35.2Very low32.6Very low183 Ų183140.7 Ų140.785%0.84777%0.765SS**  trans31.8128.5136.6-67.6-89.7000122.1
255T31.2Very low33.3Very low157 Ų157139.1 Ų139.196%0.96377%0.769SS**  -160.1-176.7120.65.40000111.9
256K32.6Very low33.3Very low196 Ų196135.9 Ų135.985%0.85277%0.765SS**  trans-129140.1-163.4168.4-166.4169.6-168.60112.1
257G29.1Very low33Very low71 Ų71138 Ų13873%0.73277%0.769SS**  trans91.7163.3162.300000115.4
258E30.2Very low33Very low157 Ų157137.2 Ų137.273%0.73477%0.771SS**  cis-163.9167.3-10.6-154.4-173.589.400110.6
259Q30.3Very low32.9Very low171 Ų171138.6 Ų138.680%0.79978%0.776SS**  trans80.4138.3159.3-55.7179.415.200120.9
260G30.4Very low32.7Very low69 Ų69133 Ų13371%0.71177%0.77SS**  trans98.3116.9164.700000115.8
261L35.3Very low33.1Very low158 Ų158135.5 Ų135.583%0.82777%0.769SS**  cis-147.3116.7-1.1-79.1162.6000111.7
262Y28.3Very low33.4Very low217 Ų217136.1 Ų136.185%0.85176%0.763SS**  trans57.3154.9142.8-74.9-96.6000122.8
263P40.8Very low33.1Very low98 Ų98138.2 Ų138.264%0.63677%0.769SS**  trans-145.2-162.2-141.642-18.4000116
264L38.8Very low33.5Very low138 Ų138136.3 Ų136.372%0.72376%0.764SS**  trans34.3146.5133.8-75.1172.6000121.1
265P43.1Very low33.4Very low128 Ų128137.3 Ų137.383%0.83177%0.766SS**  -150.6-156.364.243.8-22.5000117.5
266L33.2Very low33.6Very low135 Ų135133.5 Ų133.571%0.70775%0.75SS**  trans-118.3158-157.4-69.3154.3000113.1
267L35.3Very low33.5Very low158 Ų158130.1 Ų130.183%0.82775%0.746SS**  trans47.8120.2138.6-66.4170.4000122
268N29.3Very low33.7Very low147 Ų147134.2 Ų134.279%0.78675%0.751SS**  97.9137.2128.4-154.742.6000121.3
269S27.5Very low33.9Very low98 Ų98132.7 Ų132.769%0.68575%0.752SS**  trans49.7130.5160.6-61.40000121.9
270S25.2Very low34.6Very low105 Ų105130.5 Ų130.573%0.73475%0.753SS**  172.1166.493.1-154.10000113.9
271L37.6Very low34.8Very low144 Ų144132.2 Ų132.275%0.75475%0.754SS**  trans60.7158.3169.8-91.666.4000117.8
272D36.2Very low34.6Very low128 Ų128132.5 Ų132.568%0.68476%0.756SS**  cis173.1172.5-35.473.2-29.7000105.3
273D38.2Very low34.9Very low151 Ų151128.4 Ų128.481%0.80775%0.754SS**  cis-144.6-171.3-12.4-160-86.5000107.4
274G35Very low35.6Very low53 Ų53128.8 Ų128.855%0.54676%0.756SS.*  trans156.126.4156.700000124
275K34.7Very low35.5Very low204 Ų204130.6 Ų130.689%0.88777%0.766SS**  trans67.5154.5170.696.9-146.1174.5-1740117.4
276A33.9Very low34.8Very low77 Ų77127.5 Ų127.564%0.63676%0.757SS**  cis-145.6132.18.100000112.8
277T31.7Very low35.2Very low125 Ų125133.3 Ų133.377%0.76777%0.77SS**  25.7140.2120.330.10000120.4
278L32.9Very low34.9Very low158 Ų158132.6 Ų132.683%0.82777%0.767SS**  cis-152.1163.113.2-103.1174.6000112.4
279T33.7Very low35.2Very low124 Ų124132.8 Ų132.876%0.76177%0.767SS**  trans-94.7174.7162.540.90000110.4
280P45.3Very low35.3Very low126 Ų126132.4 Ų132.482%0.81876%0.764SS**  cis-144.2-161.426.844.5-22.1000117.5
281S35.1Very low35.6Very low104 Ų104133 Ų13373%0.72776%0.764SS**  trans-80.2160.5-17054.20000117.1
282N30Very low35.4Very low165 Ų165135.1 Ų135.188%0.88277%0.769SS**  trans-156.2155.7142.3-104.9-24.9000113
283T36.1Very low35.5Very low130 Ų130136.8 Ų136.880%0.79877%0.773SS**  trans-125.8-176.1168.961.40000108.1
284P55.2Low35Very low107 Ų107134.5 Ų134.570%0.69577%0.765SS**  cis-120171.3-27.338.4-25.9000112.2
285L35.7Very low34.9Very low175 Ų175142.1 Ų142.192%0.91678%0.779SS**  trans173.5149.7145.9-117.269.9000108.1
286G29.9Very low35.9Very low64 Ų64138.3 Ų138.366%0.6677%0.774SS**  cis15195.6-11.100000113.8
287R39.7Very low35.9Very low257 Ų257140.8 Ų140.897%0.9778%0.781SS**  trans-165.6155.9152.7-108.6159.4-169.9-177.62.3111.3
288N30.8Very low35.9Very low142 Ų142141.2 Ų141.276%0.75978%0.784SS**  trans-146.7-174.1-166.5-155.6-63.3000109.5
289L34.2Very low35.9Very low152 Ų152138.3 Ų138.380%0.79678%0.782SS**  trans69.1124.3-176.6-84.755.6000114.5
290S30Very low35.6Very low89 Ų89139.7 Ų139.762%0.62279%0.785SS**  cis92.212713.7-156.20000117
291T32.1Very low35.9Very low118 Ų118138 Ų13872%0.72477%0.774SS**  trans41.5124.3145.652.80000121.2
292H32.5Very low35.6Very low188 Ų188141.9 Ų141.987%0.8778%0.78SS**  -159-176.2110.9-129.5-99.9000114.8
293Q38.2Very low35.7Very low163 Ų163139.4 Ų139.476%0.76278%0.776SS**  trans-134.7162.7-166.8-171.6-169.473.500110.9
294T28.7Very low36.7Very low103 Ų103137.9 Ų137.963%0.63277%0.768SS**  trans105.9120.4152.3-57.10000119.9
295Y32Very low35.4Very low214 Ų214142 Ų14284%0.83978%0.775SS**  trans12.8153.2140.7-66.7-70.1000122
296P55.2Low35.3Very low123 Ų123137.8 Ų137.880%0.79977%0.766SS**  -152.8176.751.242.3-19.7000122.2
297V34.6Very low35.4Very low129 Ų129141.8 Ų141.878%0.78277%0.771SS**  trans-28.3148.2170.5-156.30000120.8
298V31.3Very low34.9Very low135 Ų135137.5 Ų137.582%0.81876%0.759SS**  162.5136.6123.8159.60000115.5
299A32.7Very low34.8Very low97 Ų97136.6 Ų136.680%0.80275%0.75SS**  trans80.3135.3155.200000124.7
300D28.8Very low34.3Very low153 Ų153136.1 Ų136.182%0.81874%0.744SS**  trans-87.3-169.5161.5-118.1-69.6000109.9
301P51Low34.1Very low89 Ų89137.8 Ų137.858%0.57875%0.751SS**  cis-141.1-172.9-6.622.16000117.2
302H28.9Very low35Very low186 Ų186137.3 Ų137.386%0.86175%0.75SS**  trans97.3161.3150.7-62.5-52000122.6
303S32.9Very low34.8Very low114 Ų114135.8 Ų135.880%0.79774%0.743SS**  trans-125.2-167.1-169-150.90000108.9
304P56.8Low34.4Very low97 Ų97133.8 Ų133.863%0.6374%0.742SS**  cis-143.3-139.5645.6-22.6000115.7
305F28.2Very low34.5Very low193 Ų193133.6 Ų133.685%0.84675%0.745SS**  trans89.4122.9-178.5-61.3-81.2000115.4
306A32Very low34.4Very low88 Ų88128.2 Ų128.273%0.72774%0.738SS**  cis89.4149.334.200000113.5
307I32.1Very low33.2Very low148 Ų148128.2 Ų128.276%0.75974%0.741SS**  cis-163.1154.818.9-157.2164.4000113.5
308K29.2Very low33.1Very low166 Ų166127 Ų12772%0.72274%0.739SS**  trans58.5160.2162.4-86.9174.7139.6-147.50118.1
309Q28.7Very low33.3Very low123 Ų123125.3 Ų125.358%0.57573%0.732SS**  cis-1531769-130.6161.5-10800107.9
310E24.7Very low33.5Very low142 Ų142126.9 Ų126.966%0.66473%0.732SS**  cis-153.2-142.33.5-165.4108.667.500109.5
311T26.5Very low34.6Very low124 Ų124125.8 Ų125.876%0.76173%0.733SS**  trans-153.7179.6-177.236.60000109.8
312P49.6Very low33.9Very low108 Ų108126.7 Ų126.770%0.70174%0.742SS**  cis-123.1-149.14.735.5-11.3000111.5
313E28.7Very low34.3Very low157 Ų157122.8 Ų122.873%0.73474%0.735SS**  cis-160.9171.72.2-151.6171.9102.600111.4
314V29.5Very low34.6Very low120 Ų120125 Ų12573%0.72774%0.738SS**  trans52.8142.6167.3-820000119.2
315S30.7Very low33.5Very low100 Ų100125.2 Ų125.270%0.69974%0.742SS**  cis-156.4156.813.6-116.60000114
316S30.5Very low33.7Very low100 Ų100120.6 Ų120.670%0.69973%0.733SS**  trans60.586.2147.9-54.50000122.9
317S30.5Very low33.9Very low123 Ų123122.1 Ų122.186%0.8674%0.738SS**  40.8145.6116.662.90000123.7
318S31.8Very low33.9Very low105 Ų105119.2 Ų119.273%0.73474%0.737SS**  trans-113.7175.4179.360.50000115.4
319S35.7Very low34Very low98 Ų98120.7 Ų120.769%0.68574%0.744SS**  trans79.9122.4150.7-54.80000121.6
320T37.6Very low34.5Very low131 Ų131120.6 Ų120.680%0.80475%0.746SS**  trans51.4140.1137.461.70000121.2
321P51.3Low34.6Very low129 Ų129121 Ų12184%0.83875%0.753SS**  -151.1-164.795.941.1-23.2000115.3
322S36.8Very low35Very low108 Ų108121.4 Ų121.476%0.75575%0.75SS**  trans-109.5155.2-171.3-49.70000114.8
323S37.7Very low34.2Very low104 Ų104125.8 Ų125.873%0.72776%0.761SS**  trans23.5132.8147.261.70000122.4
324L38Very low34.4Very low161 Ų161126.9 Ų126.984%0.84377%0.766SS**  173.9156.5118.6-95.6168.7000114.5
325S34.3Very low34.5Very low102 Ų102128 Ų12871%0.71377%0.773SS**  trans65.7159.9153.8-64.60000120.9
326S32.5Very low34.5Very low95 Ų95126.4 Ų126.466%0.66477%0.772SS**  cis-173.1156.3-24.8-89.90000111.1
327S35.9Very low34.6Very low120 Ų120127.7 Ų127.784%0.83978%0.781SS**  trans60.3158.815448.40000120.7
328A32.3Very low34.6Very low88 Ų88125.6 Ų125.673%0.72778%0.778SS**  cis-172.5171.1-25.500000110.8
329F31.6Very low34.8Very low197 Ų197127.1 Ų127.186%0.86478%0.783SS**  trans74.4162.8157-130.6-101.4000118.8
330L37.8Very low35.6Very low120 Ų120128.5 Ų128.563%0.62879%0.79SS**  -168.9134.8-61.1-153173.8000107.9
331D28.2Very low35.5Very low151 Ų151127 Ų12781%0.80779%0.791SS**  trans-160.1-173.9148.5-153.8-110.4000113
332L35.1Very low34.5Very low132 Ų132124.5 Ų124.569%0.69179%0.789SS**  trans-154.8131.8-130.9177.271.6000115.4
333Q32.9Very low34.4Very low200 Ų200124.1 Ų124.194%0.93579%0.792SS**  trans-161171.6143.4-119.9179.518.900114.6
334Q32.6Very low34.2Very low181 Ų181123.9 Ų123.985%0.84679%0.79SS**  trans-151.8132.7-150178.3-170.523.800114.3
335V31.1Very low34.3Very low143 Ų143122.9 Ų122.987%0.86779%0.791SS**  trans-169.8129.4154.8132.70000104.7
336G30.9Very low34.8Very low66 Ų66123.6 Ų123.668%0.6879%0.793SS**  91.2126.661.400000109.4
337S32.7Very low36Very low128 Ų128124.1 Ų124.190%0.89579%0.794SS**  cis-171148.3-251.40000110
338G30.6Very low35.9Very low78 Ų78127.2 Ų127.280%0.80479%0.792SS**  trans150.6118.1163.100000117.7
339V34.8Very low35.8Very low138 Ų138129.8 Ų129.884%0.83679%0.794SS**  trans-150.4125.2170.8169.20000106.2
340P53.8Low35.7Very low126 Ų126125 Ų12582%0.81879%0.79SS**  -144174.69223.5-0.2000113.6
341A34.3Very low35.7Very low100 Ų100129 Ų12983%0.82680%0.803SS**  cis-164.1163.5-21.200000107.6
342G31.1Very low37Very low77 Ų77126.7 Ų126.779%0.79480%0.796SS**  trans160.9100.3173.800000116.1
343A34.4Very low36.9Very low100 Ų100129.6 Ų129.683%0.82681%0.806SS**  trans-42.4161168.200000117.4
344S32.9Very low37Very low98 Ų98124.8 Ų124.869%0.68580%0.8SS**  cis-178.8134.2-14.355.90000113.2
345V40.2Very low36.9Very low141 Ų141121.1 Ų121.186%0.85580%0.801SS**  trans57.8160.7157.6-77.90000120.8
346P45.8Very low36.9Very low117 Ų117119.9 Ų119.976%0.7680%0.799SS**  trans-127.4-165.6-14450.5-36.8000113.9
347P57.3Low37.2Very low105 Ų105124.1 Ų124.168%0.68281%0.811SS**  trans-97.7165-174.938.7-32.8000114
348F32.8Very low37.1Very low185 Ų185128.1 Ų128.181%0.81181%0.808SS**  176.4152.6128.6-109.7-72.9000115.2
349N31.4Very low37.1Very low143 Ų143127.3 Ų127.377%0.76580%0.8SS**  trans78134.2141.4-86.4-23.3000125.8
350A28.8Very low37.1Very low95 Ų95128 Ų12879%0.78579%0.794SS**  100.1141.613000000122.8
351F37.3Very low36.1Very low205 Ų205130 Ų13090%0.89979%0.79SS**  trans-81.5-174.9174.3-62.1-95.8000112.3
352P55.5Low35.9Very low102 Ų102131.5 Ų131.566%0.66279%0.789SS**  cis-126.5-173.2-32.828.5-8.4000111.6
353H32.8Very low36Very low194 Ų194131 Ų13190%0.89878%0.784SS**  trans-173.2175.7131-102.7-66.1000111.4
354A35Very low35.9Very low98 Ų98135.4 Ų135.481%0.8179%0.788SS**  trans-126.3160-172.400000112.8
355A30.4Very low35.9Very low104 Ų104134.4 Ų134.486%0.8679%0.785SS**  trans-148.1146.8167.800000110.6
356S31.2Very low35.7Very low118 Ų118135 Ų13583%0.82578%0.783SS**  trans-108.1157.4-173.3-55.40000113
357V37.3Very low35.1Very low155 Ų155136.7 Ų136.794%0.93979%0.785SS**  trans-128.2157.9162-179.10000108.5
358Y31.9Very low33.9Very low211 Ų211136.9 Ų136.983%0.82779%0.788SS**  trans-120.6157.8-151.1-149.3-96.8000113.8
359G30.2Very low34Very low62 Ų62131.6 Ų131.664%0.63979%0.787SS**  trans122107.3-179.100000112.4
360Q34.5Very low34.2Very low152 Ų152136.9 Ų136.971%0.7180%0.796SS**  cis72.3120.934.9-140.6173.42.900110.1
361F32.1Very low34.3Very low168 Ų168140.9 Ų140.974%0.73780%0.798SS**  cis-163.4157.813.642.3-87.7000113.3
362T30.8Very low34.4Very low131 Ų131140.3 Ų140.380%0.80480%0.801SS**  trans56.3147.5166.862.40000119.3
363G33.4Very low33.6Very low67 Ų67141.8 Ų141.869%0.69181%0.807SS**  cis119.4101.5-8.200000114.8
364Q32.9Very low33.9Very low193 Ų193135.2 Ų135.290%0.90279%0.793SS**  trans-168.1170.7156.3-104.7-51.7-18.300111.1
365A33Very low34.2Very low76 Ų76136.8 Ų136.863%0.62880%0.795SS**  trans-133.5-170.3177.600000112.4
366L34.7Very low35.2Very low155 Ų155137.7 Ų137.781%0.81279%0.79SS**  trans83.8118.1170.5-103.772.8000120.4
367L33Very low35.6Very low151 Ų151140.2 Ų140.279%0.79179%0.793SS**  69.6130.7129.6-96.1167.1000124
368S32.1Very low36Very low109 Ų109138.4 Ų138.476%0.76278%0.784SS**  trans83.4100.1139.6-1390000121
369G34.8Very low36.5Very low75 Ų75131.7 Ų131.777%0.77378%0.779SS**  59.7113.2116.300000120.7
370R36.8Very low36.8Very low254 Ų254139.1 Ų139.196%0.95879%0.789SS**  trans-146.5138.9136.3-145.5170.9-173.7172.41.5111.5
371E31.4Very low37.9Very low178 Ų178136.7 Ų136.783%0.83279%0.787SS**  trans-81.6156.3-175.2-56.7-179130.800112.5
372M39.2Very low38.7Very low193 Ų193134.8 Ų134.895%0.95179%0.791SS**  trans-109.5120.6160.1-160.170.4161.500107.2G374M372-G374 PolarHBondContact O-N 3.17Å
373V37.9Very low39.2Very low133 Ų133137 Ų13781%0.80679%0.792SS**  trans-73.5118.5-158.9-172.40000112.6
374G38.8Very low39.8Very low57 Ų57140.6 Ų140.659%0.58879%0.794SS**  trans-108.4116.2168.300000111.3M372 T376M372-G374 PolarHBondContact O-N 3.17Å; G374-T376 PolarHBondContact O-N 2.9Å
375P42.9Very low40Very low131 Ų131137.5 Ų137.585%0.85179%0.791SS**  trans-76.297.7-178.630.2-33.8000111.3
376T49.6Very low40.2Very low123 Ų123140.2 Ų140.276%0.75580%0.8SS**PPolyproline II helixtrans-99.5128.8164.2-51.40000108.7G374G374-T376 PolarHBondContact O-N 2.9Å
377L40.3Very low40.5Very low171 Ų171138.3 Ų138.390%0.89580%0.799SS**PPolyproline II helixtrans-100.6139.6156.7-85.6174.3000109.2
378P45.3Very low40.8Very low117 Ų117134.3 Ų134.376%0.7679%0.794SS**PPolyproline II helixtrans-98159.3-155.937.5-37.1000114.3
379G43Very low40.9Very low70 Ų70138.1 Ų138.172%0.72280%0.8SS**  trans110.465151.400000117.4
380Y36.3Very low41.1Very low217 Ų217137.3 Ų137.385%0.85179%0.792SS**  trans-148.8137.8148.5-112.3-86000109.6
381P57Low40.9Very low102 Ų102130.5 Ų130.566%0.66278%0.783SS**PPolyproline II helixtrans-71.9152.2175.729.8-35.5000111.9H383P381-H383 PolarHBondContact O-N 3.2Å
382P49.1Very low41.2Very low127 Ų127132.3 Ų132.383%0.82578%0.784SS**PPolyproline II helixtrans-66.6125.9179.427.4-34.2000111.4
383H40.9Very low40.9Very low177 Ų177128 Ų12882%0.81978%0.779SS**PPolyproline II helixtrans-72.2133.4-177.4-120.4-94.9000112.3P381P381-H383 PolarHBondContact O-N 3.2Å
384I46.7Very low40.7Very low144 Ų144127 Ų12774%0.73878%0.778SS**PPolyproline II helixtrans-76.3129.3168.9-58.8168.8000108.2T386I384-T386 PolarHBondContact O-N 3.43Å; I384-T386 VanDerWaalsContact O-N 3.12Å
385P38.1Very low40.7Very low127 Ų127130.3 Ų130.383%0.82579%0.792SS**  trans-75.899.9173.630.2-32.7000110.2
386T37.5Very low40.3Very low133 Ų133128.2 Ų128.282%0.81679%0.786SS**  trans-90.7163.4164.8-163.50000111I384I384-T386 PolarHBondContact O-N 3.43Å; I384-T386 VanDerWaalsContact O-N 3.12Å
387S40.7Very low39.6Very low115 Ų115130.9 Ų130.980%0.80479%0.793SS**  trans-87.6141.9-167.456.60000115
388G38.4Very low39.4Very low67 Ų67127.6 Ų127.669%0.69179%0.791SS**  trans121.5146.5147.300000116.5
389Q34.4Very low38.9Very low190 Ų190125.2 Ų125.289%0.88879%0.788SS**  trans63133.9175.8-49.4-69.2-16.500115.1
390G37.9Very low38.3Very low58 Ų58130.4 Ų130.460%0.59880%0.795SS**  cis11354.2-6.400000115.2
391S34.1Very low38.1Very low111 Ų111126.8 Ų126.878%0.77680%0.796SS**  trans-160.8151.9158.8-91.20000115.2
392Y37.2Very low36.9Very low216 Ų216126.7 Ų126.785%0.84780%0.803SS**  trans-41.8147.1179.7-48.1-88.5000117.6
393A32.3Very low36.1Very low102 Ų102124.5 Ų124.584%0.84380%0.803SS**  trans-118.8125.3159.100000109.3
394S33.4Very low35.8Very low112 Ų112122 Ų12278%0.78381%0.806SS**  trans-153112.2179.4-73.20000111.7
395S39Very low35.1Very low126 Ų126124.3 Ų124.388%0.88181%0.814SS**  trans179.4144.7161.4-840000108.3
396A35.8Very low34.8Very low87 Ų87129.1 Ų129.172%0.71982%0.817SS**  cis-160.2165.1-12.300000109.1
397I35.2Very low35.1Very low179 Ų179128 Ų12892%0.91882%0.815SS**  trans-169.6148.1144.9-100.3151.2000107.5
398A34.8Very low34.8Very low103 Ų103125.7 Ų125.785%0.85181%0.809SS**  trans-110.1158.6-163.500000114.1
399G34.3Very low34.4Very low66 Ų66129.8 Ų129.868%0.6882%0.815SS**  trans164.4115.6163.200000117.2
400M32.3Very low34.7Very low180 Ų180125.4 Ų125.489%0.88781%0.811SS**  trans69.785.2144.9-58.7-178.6-65.600121.1
401V31.4Very low34.4Very low141 Ų141133 Ų13386%0.85582%0.823SS**  63.6144.9114.391.10000122.9
402A32.5Very low34.6Very low99 Ų99131.2 Ų131.282%0.81882%0.822SS**  trans73.1109.2158.800000119.7
403G30.5Very low34.5Very low81 Ų81129.4 Ų129.484%0.83582%0.821SS**  trans-175.1122.3164.500000109.8
404S34.4Very low34.6Very low126 Ų126130.9 Ų130.988%0.88182%0.82SS**  trans-79.8162.5-163.5-55.70000115.6
405E32.9Very low35Very low191 Ų191131.5 Ų131.589%0.89382%0.821SS**  trans-69.7146.6-176.8-57.4146.7118.100113.4
406Y32.1Very low34.6Very low229 Ų229136.1 Ų136.190%0.89882%0.821SS**  trans-145.1135.6157.6-161.6-98.5000110.7
407S43Very low34.5Very low109 Ų109136.8 Ų136.876%0.76282%0.82SS**  trans-101.8140.4-178.5-177.10000110.8
408G34Very low34.4Very low66 Ų66133.9 Ų133.968%0.6882%0.816SS**  trans-177.274.7-176.600000116.3
409N31.7Very low34.2Very low153 Ų153139.1 Ų139.182%0.81882%0.815SS**  trans41.7127.1156.5-67.88.5000121.2
410A39.4Very low34.5Very low98 Ų98141 Ų14181%0.8182%0.818SS**  trans-74.8142.6159.800000112
411Y31.6Very low34.4Very low218 Ų218139.7 Ų139.786%0.85581%0.81SS**  trans-135.6127.4157.3-116.1-95000108.4
412G39.8Very low34.6Very low73 Ų73135.7 Ų135.775%0.75379%0.791SS**  trans-87.1134.4-173.500000112.8
413H35.2Very low34.7Very low178 Ų178143.7 Ų143.782%0.82480%0.8SS**  trans-124.9134.5163.1-86.2-81.6000110.2
414T33.6Very low35.2Very low134 Ų134150.4 Ų150.482%0.82280%0.801SS**PPolyproline II helixtrans-71138.2174.633.90000111Y416T414-Y416 PolarHBondContact O-N 2.89Å
415P41.3Very low35.4Very low124 Ų124153.9 Ų153.981%0.80580%0.8SS**PPolyproline II helixtrans-72.4121.1177.128.8-33.3000110.6
416Y30.3Very low36Very low224 Ų224150.5 Ų150.588%0.87880%0.795SS**PPolyproline II helixtrans-70.8133.4172.5-158.4-90.1000109.8T414 S418T414-Y416 PolarHBondContact O-N 2.89Å; Y416-S418 PolarHBondContact O-N 3.02Å
417S34.5Very low35.9Very low101 Ų101146.9 Ų146.971%0.70679%0.791SS**PPolyproline II helixtrans-69.9129.5-175.7-53.80000112.4Y419S417-Y419 PolarHBondContact O-N 3.46Å
418S33.5Very low35.6Very low118 Ų118148 Ų14883%0.82580%0.799SS**  trans-62.5114.4169-60.20000110.6Y416 S420Y416-S418 PolarHBondContact O-N 3.02Å; S418-S420 PolarHBondContact O-N 3.35Å
419Y30.3Very low35.9Very low212 Ų212149.4 Ų149.483%0.83180%0.798SS**  trans-91100.1177.5-154.5-86.6000110.9S417S417-Y419 PolarHBondContact O-N 3.46Å
420S40.8Very low36.5Very low105 Ų105150.4 Ų150.473%0.73480%0.803SS**  trans-120.383.6177.160.20000110.9S418S418-S420 PolarHBondContact O-N 3.35Å
421E29.9Very low36.5Very low154 Ų154154.1 Ų154.172%0.7281%0.808SS**  trans-153.9147.1168.6-16148.4-88.800114
422A34.6Very low36.5Very low57 Ų57149.2 Ų149.247%0.47181%0.805SS.*  trans33.1104.6161.300000120.4R424A422-R424 HydrophobicContact CB-CG 4.3Å; A422-R424 PolarHBondContact O-N 3.12Å
423W34.9Very low36.1Very low266 Ų266150.9 Ų150.9100%1.00881%0.806SS**  trans-61.1104.8145-7882.5000109.6
424R41.3Very low36.7Very low222 Ų222147.8 Ų147.884%0.83880%0.802SS**PPolyproline II helixtrans-100145.5165.3-75.8-168.4171.5-168.2-1.5110.8A422A422-R424 HydrophobicContact CB-CG 4.3Å; A422-R424 PolarHBondContact O-N 3.12Å
425F39.5Very low36.9Very low200 Ų200152 Ų15288%0.87780%0.804SS**PPolyproline II helixtrans-62.6133.3175-58.3-92.8000110.6
426P44.2Very low36.7Very low120 Ų120157.1 Ų157.178%0.77981%0.809SS**PPolyproline II helixtrans-70.3131.8161.430.1-31.7000109S428P426-S428 PolarHBondContact O-N 3.36Å
427N29.5Very low36.8Very low153 Ų153156.2 Ų156.282%0.81881%0.805SS**PPolyproline II helixtrans-71.8125.2170.6-88.4-46.1000109.8S429N427-S429 VanDerWaalsContact C-N 3.32Å; N427-S429 PolarHBondContact O-N 3.06Å
428S37.8Very low36.6Very low131 Ų131156.6 Ų156.692%0.91681%0.808SS**  trans-76.682.8169.8-62.30000110.6P426P426-S428 PolarHBondContact O-N 3.36Å
429S40.5Very low36.6Very low96 Ų96155.9 Ų155.967%0.67180%0.803SS**  trans-131.6150.2173.1-64.60000109.8N427N427-S429 VanDerWaalsContact C-N 3.32Å; N427-S429 PolarHBondContact O-N 3.06Å
430L43.7Very low36.9Very low175 Ų175152.4 Ų152.492%0.91680%0.804SS**  trans73.373.8-177-49.8-178.1000116
431L40.3Very low36.8Very low175 Ų175152.8 Ų152.892%0.91681%0.807SS**  trans-145.493.2139.2-114.9164.4000108.6
432S31.4Very low37.4Very low115 Ų115157 Ų15780%0.80482%0.816SS**  trans-75.9122.6174.1-170.40000108.6P434S432-P434 WeakPolarHBondContact O-CD 3.41Å
433S31.3Very low37.7Very low109 Ų109160 Ų16076%0.76283%0.831SS**  trans-93.2114.1179.8-167.10000109.8
434P46.5Very low37.8Very low113 Ų113153.1 Ų153.173%0.73482%0.823SS**  trans-71.8140.3175.929.9-33.4000110.6S432 Y436S432-P434 WeakPolarHBondContact O-CD 3.41Å; P434-Y436 PolarHBondContact O-N 3.32Å
435Y38.4Very low37.9Very low223 Ų223146.8 Ų146.888%0.87582%0.818SS**  trans-57.7134.8174.7-84.8-117.6000111.2
436Y36.4Very low38.4Very low231 Ų231142.9 Ų142.991%0.90681%0.813SS**  trans-135.3133152-117.2-88.5000110P434P434-Y436 PolarHBondContact O-N 3.32Å
437Y33Very low38.5Very low205 Ų205143.2 Ų143.280%0.80482%0.815SS**  trans-108.9112.8-171.5-174.1-80.8000109
438S30.7Very low39Very low108 Ų108142.7 Ų142.776%0.75582%0.817SS**  trans-132121.3177-70.90000110.2
439S34.5Very low39.2Very low103 Ų103143.1 Ų143.172%0.7282%0.815SS**PPolyproline II helixtrans-79.1122.1-171.1-520000112.8
440T34.9Very low39.1Very low140 Ų140143.4 Ų143.486%0.85982%0.823SS**PPolyproline II helixtrans-81.7129.4163.5-67.50000109.9
441S38.9Very low39Very low113 Ų113141.7 Ų141.779%0.7982%0.82SS**PPolyproline II helixtrans-71148.7178.544.50000112.7
442R41.9Very low39.1Very low242 Ų242137.7 Ų137.791%0.91381%0.812SS**PPolyproline II helixtrans-90.3133.6-177.4-153178.4-162-130.58.2109.8
443P42.3Very low39.6Very low120 Ų120141.6 Ų141.678%0.77982%0.815SS**PPolyproline II helixtrans-68.1149.8173.828.8-34.3000111.2
444S36.8Very low40.3Very low122 Ų122142.7 Ų142.785%0.85381%0.812SS**PPolyproline II helixtrans-83.4151.1-178.146.50000113.3
445A44.2Very low40.3Very low89 Ų89144.6 Ų144.674%0.73681%0.811SS**PPolyproline II helixtrans-97.6163.5166.400000109.7
446P48.4Very low40.6Very low117 Ų117145.2 Ų145.276%0.7683%0.828SS**PPolyproline II helixtrans-80.2160-162.832.5-36.5000114.1
447P46.1Very low40.9Very low128 Ų128141 Ų14183%0.83183%0.825SS**PPolyproline II helixtrans-75.3127.8174.430.8-33.6000111.8
448T40.8Very low41.3Very low141 Ų141137.6 Ų137.687%0.86583%0.826SS**PPolyproline II helixtrans-78.8133.8164.316.70000111
449T42.7Very low41.8Very low141 Ų141139.2 Ų139.287%0.86583%0.83SS**PPolyproline II helixtrans-72.2126173.248.60000111.4
450A38.3Very low42.3Very low101 Ų101141.4 Ų141.484%0.83584%0.836SS**  trans-12494.8168.500000109.5
451T41Very low42.7Very low140 Ų140141.4 Ų141.486%0.85984%0.835SS**  trans-75.1145166.243.10000109.9
452A42.5Very low43Very low91 Ų91143.3 Ų143.375%0.75284%0.837SS**  trans-63.5155.2-174.800000113.6
453F42.6Very low43.1Very low196 Ų196136.3 Ų136.386%0.8683%0.832SS**  trans-134.4128.3137.7-117-83.5000109.5
454D45.3Very low43.1Very low132 Ų132137.5 Ų137.571%0.70684%0.836SS**  trans-79.2147168.2-176.3-72.7000108.8
455H46Very low43.7Very low153 Ų153138.8 Ų138.871%0.70884%0.835SS**  trans-176.3123147.2-97.1-45.6000113.2
456L46.2Very low43.6Very low237 Ų237143.4 Ų143.4100%1.24184%0.844SS**  trans67.70167.4-71.185.9000117.3

Retrieved 456 of 456 residues in 77 ms (Link to these results)