A0A024R531_HUMAN Loading...

Paired box protein Pax-8

AlphaFold DB , UniProt , Accession A0A024R531, Species HUMAN (Homo sapiens, Human), Gene PAX8, Length 387 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.2Very low48.5Very low232 Ų232139.4 Ų139.4100%1.14377%0.773SS**  0131.60-66173.3174.500108.8H3M1-H3 PolarHBondContact O-N 2.85Å
2P43.6Very low51.3Low132 Ų132129.6 Ų129.686%0.85773%0.727SS**  trans-78.2107.9174.930.6-31.8000110.4N4P2-N4 PolarHBondContact O-N 3.48Å
3H43.8Very low54.2Low188 Ų188129.8 Ų129.887%0.8773%0.725SS**  trans-83.954.3-173-159.2-79.6000113.2M1M1-H3 PolarHBondContact O-N 2.85Å
4N46.7Very low56.6Low124 Ų124123.2 Ų123.266%0.66369%0.687SS**  trans-114.860.7175.6-165.820.1000111.3P2 I6P2-N4 PolarHBondContact O-N 3.48Å; N4-I6 PolarHBondContact O-N 2.87Å
5S39.1Very low58.8Low107 Ų107128.6 Ų128.675%0.74871%0.705SS**  trans-7381.7170.7-170.20000109.6R7S5-R7 PolarHBondContact O-N 3.16Å
6I47.9Very low60.5Low124 Ų124125.1 Ų125.164%0.63669%0.685SS**  trans-62.5101.2169-58.7174.9000106.5N4 S8N4-I6 PolarHBondContact O-N 2.87Å; I6-S8 PolarHBondContact O-N 3.28Å; I6-S8 VanDerWaalsContact O-N 3.09Å
7R46.2Very low62Low227 Ų227119.6 Ų119.686%0.85766%0.664SS**  trans-51.1120.2170.3-71.3-179.9175.4-112.12.1108.1S5 G9S5-R7 PolarHBondContact O-N 3.16Å; R7-G9 PolarHBondContact O-N 2.91Å
8S49.7Very low63.4Low115 Ų115113.4 Ų113.480%0.80463%0.632SS**  trans-62.979.9-177.4-58.30000111.8I6 H10I6-S8 PolarHBondContact O-N 3.28Å; I6-S8 VanDerWaalsContact O-N 3.09Å; S8-H10 PolarHBondContact O-N 2.71Å
9G52.8Low64.8Low48 Ų48111.8 Ų111.850%0.49564%0.635SS.*  trans-78.169.3-17500000112.3R7 G11R7-G9 PolarHBondContact O-N 2.91Å; G9-G11 PolarHBondContact O-N 3.19Å
10H62.1Low66Low177 Ų177109.9 Ų109.982%0.81962%0.619SS**  trans29.864.5163.2-63.586.9000114S8 G12S8-H10 PolarHBondContact O-N 2.71Å; H10-G12 PolarHBondContact O-N 3Å
11G66Low67Low59 Ų59107.8 Ų107.861%0.60861%0.608SS**EExtended strand (participates in β ladder)trans-69.1111.6176.400000109.8G9 F20G9-G11 PolarHBondContact O-N 3.19Å; G11-F20 CarbonylContact C-O 3.56Å; G11-F20 WeakPolarHBondContact CA-O 3.42Å
12G82.1Confident69.3Low22 Ų22102.9 Ų102.923%0.22759%0.587CS.*EExtended strand (participates in β ladder)trans-77147.1174.300000110.7H10 A19 F20H10-G12 PolarHBondContact O-N 3Å; G12-A19 CarbonylContact O-C 3.57Å; G12-A19 WeakPolarHBondContact O-CA 3.34Å; G12-F20 PolarHBondContact N-O 2.97Å; G12-F20 WeakPolarHBondContact O-CD1 3.43Å; G12-F20 PolarHBondContact O-N 3.44Å
13L88.8Confident71.2Confident133 Ų133100.2 Ų100.270%0.69658%0.583SS**EExtended strand (participates in β ladder)trans-95130.7159.8-63.9-178.9000108.3A19L13-A19 HydrophobicContact CD2-CB 4.26Å
14N87.8Confident73.2Confident37 Ų37100.5 Ų100.520%0.19858%0.577CS.*PPolyproline II helixtrans-81.7172.5172.567.936000110.9L16 G17 G18 F20 R52N14-L16 PolarHBondContact O-N 2.91Å; N14-L16 WeakPolarHBondContact OD1-CA 3.23Å; N14-L16 WeakPolarHBondContact OD1-CB 3.28Å; N14-L16 PolarHBondContact OD1-N 3.15Å; N14-G17 PolarHBondContact O-N 3.03Å; N14-G17 PolarHBondContact OD1-N 3.13Å; N14-G18 VanDerWaalsContact CG-O 3.28Å; N14-G18 PolarHBondContact N-O 2.85Å; N14-G18 PolarHBondContact ND2-O 2.75Å; N14-G18 PolarHBondContact OD1-N 2.63Å; N14-F20 HydrophobicContact CB-CD1 3.93Å; N14-F20 HydrophobicContact CB-CE1 3.97Å; N14-R52 PolarHBondContact ND2-O 3.12Å; N14-R52 PolarHBondContact OD1-O 3.48Å
15Q89.2Confident75.2Confident204 Ų20497.7 Ų97.795%0.95357%0.565SS**THydrogen-bonded Turntrans-59.9-15.1-179.8-68.1173-16.700114.6
16L86.7Confident77.6Confident73 Ų7394.2 Ų94.238%0.38254%0.538SS..THydrogen-bonded Turntrans-95.15.8175.6-57.2172.1000112.3N14 G18 R52 V53N14-L16 PolarHBondContact O-N 2.91Å; N14-L16 WeakPolarHBondContact OD1-CA 3.23Å; N14-L16 WeakPolarHBondContact OD1-CB 3.28Å; N14-L16 PolarHBondContact OD1-N 3.15Å; L16-G18 VanDerWaalsContact C-N 3.31Å; L16-G18 PolarHBondContact O-N 3.48Å; L16-R52 HydrophobicContact CB-CB 4.1Å; L16-R52 WeakPolarHBondContact O-CB 3.49Å; L16-R52 VanDerWaalsContact O-CD 3.27Å; L16-R52 WeakPolarHBondContact O-CD 3.28Å; L16-R52 VanDerWaalsContact O-CG 3.31Å; L16-R52 WeakPolarHBondContact O-CG 3.46Å; L16-V53 WeakPolarHBondContact CD1-O 3.37Å
17G85.3Confident79.7Confident32 Ų3292.1 Ų92.133%0.3353%0.532SS..SBendtrans70.624.8-17700000113.8N14 R52N14-G17 PolarHBondContact O-N 3.03Å; N14-G17 PolarHBondContact OD1-N 3.13Å; G17-R52 VanDerWaalsContact O-CD 3.29Å; G17-R52 WeakPolarHBondContact O-CD 3.41Å; G17-R52 PolarHBondContact O-NH1 2.89Å
18G87.8Confident81.9Confident8 Ų885.1 Ų85.18%0.08251%0.509CS..  trans-99.4136.9175.900000112.1N14 L16N14-G18 VanDerWaalsContact CG-O 3.28Å; N14-G18 PolarHBondContact N-O 2.85Å; N14-G18 PolarHBondContact ND2-O 2.75Å; N14-G18 PolarHBondContact OD1-N 2.63Å; L16-G18 VanDerWaalsContact C-N 3.31Å; L16-G18 PolarHBondContact O-N 3.48Å
19A89.4Confident83.9Confident83 Ų8385.2 Ų85.269%0.68651%0.505SS*.EExtended strand (participates in β ladder)trans-75.9135.2178.400000111.8G12 L13G12-A19 CarbonylContact O-C 3.57Å; G12-A19 WeakPolarHBondContact O-CA 3.34Å; L13-A19 HydrophobicContact CD2-CB 4.26Å
20F88.2Confident85.9Confident72 Ų7284.9 Ų84.932%0.31649%0.493SS..EExtended strand (participates in β ladder)trans-143.1161.1175.775.5-78.7000111.5G11 G12 N14G11-F20 CarbonylContact C-O 3.56Å; G11-F20 WeakPolarHBondContact CA-O 3.42Å; G12-F20 PolarHBondContact N-O 2.97Å; G12-F20 WeakPolarHBondContact O-CD1 3.43Å; G12-F20 PolarHBondContact O-N 3.44Å; N14-F20 HydrophobicContact CB-CD1 3.93Å; N14-F20 HydrophobicContact CB-CE1 3.97Å
21V87.4Confident87.4Confident66 Ų6677.1 Ų77.140%0.446%0.457SS..EExtended strand (participates in β ladder)trans-121.3119.2176.6-177.50000108.7R24V21-R24 HydrophobicContact CB-CB 4.27Å; V21-R24 HydrophobicContact CG1-CB 4.3Å; V21-R24 HydrophobicContact CG1-CG 4.01Å; V21-R24 PolarHBondContact O-N 3.46Å
22N85.1Confident88.8Confident130 Ų13078.7 Ų78.770%0.69545%0.448SS*.THydrogen-bonded Turntrans-57.4138.9-179.9-95-41.1000111.7R24N22-R24 PolarHBondContact O-N 2.68Å
23G82.7Confident89.4Confident76 Ų7682.8 Ų82.878%0.78446%0.457SS*.THydrogen-bonded Turntrans70.90-179.400000116.1
24R86.6Confident89.7Confident193 Ų19376.4 Ų76.473%0.72842%0.424SS*.SBendtrans-109.2147.6176.1-65.4-165.9178.6-161.2-2.9111.9V21 N22V21-R24 HydrophobicContact CB-CB 4.27Å; V21-R24 HydrophobicContact CG1-CB 4.3Å; V21-R24 HydrophobicContact CG1-CG 4.01Å; V21-R24 PolarHBondContact O-N 3.46Å; N22-R24 PolarHBondContact O-N 2.68Å
25P89Confident90.1Very high65 Ų6574.8 Ų74.842%0.42242%0.415SS..PPolyproline II helixtrans-66.3150172.229.1-34.7000110.9P73 I76P25-P73 HydrophobicContact CB-CB 3.61Å; P25-P73 HydrophobicContact CB-CG 4.01Å; P25-P73 HydrophobicContact CG-CB 4.16Å; P25-P73 HydrophobicContact CG-CG 4.1Å; P25-I76 HydrophobicContact CB-CD1 4.38Å
26L89.8Confident90.4Very high34 Ų3468 Ų6818%0.17839%0.385CS..PPolyproline II helixtrans-56.8143.5173.7-170.570000110.4V30 R31 I34 V53 I61L26-V30 HydrophobicContact CD1-CG1 4.4Å; L26-V30 HydrophobicContact CD2-CB 4.1Å; L26-V30 HydrophobicContact CD2-CG1 3.85Å; L26-V30 HydrophobicContact CG-CB 4.08Å; L26-V30 HydrophobicContact CG-CG1 4.22Å; L26-R31 HydrophobicContact CB-CG 4.23Å; L26-R31 HydrophobicContact CD2-CG 4.14Å; L26-R31 HydrophobicContact CG-CG 4.46Å; L26-R31 VanDerWaalsContact O-CZ 3.32Å; L26-R31 PolarHBondContact O-NE 3.03Å; L26-R31 PolarHBondContact O-NH2 3.12Å; L26-I34 HydrophobicContact CD2-CD1 3.83Å; L26-V53 HydrophobicContact CD1-CG2 4.28Å; L26-V53 HydrophobicContact CD2-CG1 4.05Å; L26-V53 HydrophobicContact CD2-CG2 4.07Å; L26-I61 HydrophobicContact CD2-CD1 3.81Å
27P91.2Very high90.8Very high80 Ų8064.9 Ų64.952%0.51937%0.369SS..PPolyproline II helixtrans-57.1146.5-178.9-26.835.7000113.8V29 V30 R31P27-V29 VanDerWaalsContact C-N 3.29Å; P27-V29 PolarHBondContact O-N 3Å; P27-V30 HydrophobicContact CB-CG2 4.3Å; P27-V30 PolarHBondContact O-N 3.35Å; P27-V30 VanDerWaalsContact O-N 3.07Å; P27-R31 PolarHBondContact O-N 3.47Å; P27-R31 VanDerWaalsContact O-N 3.09Å
28E91.9Very high91.3Very high80 Ų8064.1 Ų64.137%0.37436%0.36SS..Hα-helixtrans-54.1-44.3-176.3-15569.9-139.800112.3V30 R31 Q32 I71E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 2.88Å; E28-R31 PolarHBondContact O-N 3.3Å; E28-R31 VanDerWaalsContact O-N 3.11Å; E28-R31 IonicContact OE1-CZ 3.92Å; E28-R31 IonicContact OE1-NH1 3.86Å; E28-R31 PolarHBondContact OE1-NH1 3.2Å; E28-R31 IonicContact OE1-NH2 2.79Å; E28-R31 IonicContact OE2-CZ 2.67Å; E28-R31 VanDerWaalsContact OE2-CZ 3.25Å; E28-R31 IonicContact OE2-NH1 3.76Å; E28-R31 PolarHBondContact OE2-NH1 2.9Å; E28-R31 IonicContact OE2-NH2 2.97Å; E28-R31 PolarHBondContact OE2-NH2 3.41Å; E28-Q32 PolarHBondContact O-N 2.92Å; E28-I71 HydrophobicContact CG-CD1 4.32Å; E28-I71 WeakPolarHBondContact OE1-CD1 3.4Å
29V92.9Very high91.6Very high118 Ų11869.2 Ų69.272%0.71538%0.381SS*.Hα-helixtrans-59.2-39.4179.8-176.50000112P27 R33P27-V29 VanDerWaalsContact C-N 3.29Å; P27-V29 PolarHBondContact O-N 3Å; V29-R33 WeakPolarHBondContact O-CB 3.39Å; V29-R33 PolarHBondContact O-N 2.72Å
30V93.4Very high91.9Very high40 Ų4070.7 Ų70.724%0.24237%0.374CS..Hα-helixtrans-76.2-32.7178.9-168.40000110.6L26 P27 E28 R33 I34 L51 V53L26-V30 HydrophobicContact CD1-CG1 4.4Å; L26-V30 HydrophobicContact CD2-CB 4.1Å; L26-V30 HydrophobicContact CD2-CG1 3.85Å; L26-V30 HydrophobicContact CG-CB 4.08Å; L26-V30 HydrophobicContact CG-CG1 4.22Å; P27-V30 HydrophobicContact CB-CG2 4.3Å; P27-V30 PolarHBondContact O-N 3.35Å; P27-V30 VanDerWaalsContact O-N 3.07Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 2.88Å; V30-R33 PolarHBondContact O-N 2.72Å; V30-I34 HydrophobicContact CG1-CD1 4.48Å; V30-I34 VanDerWaalsContact O-CG1 3.31Å; V30-I34 WeakPolarHBondContact O-CG1 3.4Å; V30-I34 PolarHBondContact O-N 3.39Å; V30-L51 HydrophobicContact CG1-CB 4.5Å; V30-L51 HydrophobicContact CG1-CD1 4.38Å; V30-V53 HydrophobicContact CG1-CG2 3.8Å
31R94.4Very high92.2Very high15 Ų1570.3 Ų70.36%0.05739%0.39CS..Hα-helixtrans-67.9-40.4173.2-78.8-172.2-80.196.88.4112.8L26 P27 E28 V35 I61 I71L26-R31 HydrophobicContact CB-CG 4.23Å; L26-R31 HydrophobicContact CD2-CG 4.14Å; L26-R31 HydrophobicContact CG-CG 4.46Å; L26-R31 VanDerWaalsContact O-CZ 3.32Å; L26-R31 PolarHBondContact O-NE 3.03Å; L26-R31 PolarHBondContact O-NH2 3.12Å; P27-R31 PolarHBondContact O-N 3.47Å; P27-R31 VanDerWaalsContact O-N 3.09Å; E28-R31 PolarHBondContact O-N 3.3Å; E28-R31 VanDerWaalsContact O-N 3.11Å; E28-R31 IonicContact OE1-CZ 3.92Å; E28-R31 IonicContact OE1-NH1 3.86Å; E28-R31 PolarHBondContact OE1-NH1 3.2Å; E28-R31 IonicContact OE1-NH2 2.79Å; E28-R31 IonicContact OE2-CZ 2.67Å; E28-R31 VanDerWaalsContact OE2-CZ 3.25Å; E28-R31 IonicContact OE2-NH1 3.76Å; E28-R31 PolarHBondContact OE2-NH1 2.9Å; E28-R31 IonicContact OE2-NH2 2.97Å; E28-R31 PolarHBondContact OE2-NH2 3.41Å; R31-V35 PolarHBondContact O-N 2.98Å; R31-I61 HydrophobicContact CG-CD1 3.79Å; R31-I61 HydrophobicContact CG-CG1 4.21Å; R31-I61 HydrophobicContact CG-CG2 4.41Å; R31-I71 HydrophobicContact CB-CD1 4.09Å; R31-I71 PolarHBondContact NH1-O 3.45Å
32Q94.7Very high92.6Very high91 Ų9168.9 Ų68.943%0.42538%0.381SS..Hα-helixtrans-59-51.6168-71.5-66.321.200110.3E28 I34 V35 D36 I71E28-Q32 PolarHBondContact O-N 2.92Å; Q32-I34 PolarHBondContact O-N 3.12Å; Q32-I34 VanDerWaalsContact O-N 3.13Å; Q32-V35 CarbonylContact O-C 3.6Å; Q32-V35 WeakPolarHBondContact O-CA 3.23Å; Q32-V35 WeakPolarHBondContact O-CB 3.25Å; Q32-V35 PolarHBondContact O-N 3.22Å; Q32-D36 PolarHBondContact O-N 3.09Å; Q32-I71 HydrophobicContact CB-CD1 4.34Å; Q32-I71 HydrophobicContact CG-CD1 3.5Å
33R95.2Very high93.1Very high108 Ų10871 Ų7141%0.40838%0.379SS..Hα-helixtrans-62.2-28.1-175.3-166.859.3179.7173.23.2114.2V29 V30 D36 L37 L51V29-R33 WeakPolarHBondContact O-CB 3.39Å; V29-R33 PolarHBondContact O-N 2.72Å; V30-R33 PolarHBondContact O-N 2.72Å; R33-D36 WeakPolarHBondContact CA-OD2 3.33Å; R33-D36 IonicContact NH1-OD2 2.75Å; R33-L37 HydrophobicContact CG-CD1 4.23Å; R33-L37 WeakPolarHBondContact O-CB 3.34Å; R33-L37 WeakPolarHBondContact O-CD1 3.46Å; R33-L37 VanDerWaalsContact O-CG 3.28Å; R33-L37 WeakPolarHBondContact O-CG 3.34Å; R33-L37 PolarHBondContact O-N 2.91Å; R33-L51 HydrophobicContact CB-CD1 4.19Å; R33-L51 HydrophobicContact CB-CD2 4.46Å; R33-L51 HydrophobicContact CG-CD1 4.08Å; R33-L51 HydrophobicContact CG-CD2 3.73Å
34I95.3Very high93.7Very high0 Ų070 Ų700%036%0.359CS..Hα-helixtrans-63.5-44.6170.4-76.4164.6000111.3L26 V30 Q32 A38 I47 L51 V53 V58 I61 L62L26-I34 HydrophobicContact CD2-CD1 3.83Å; V30-I34 HydrophobicContact CG1-CD1 4.48Å; V30-I34 VanDerWaalsContact O-CG1 3.31Å; V30-I34 WeakPolarHBondContact O-CG1 3.4Å; V30-I34 PolarHBondContact O-N 3.39Å; Q32-I34 PolarHBondContact O-N 3.12Å; Q32-I34 VanDerWaalsContact O-N 3.13Å; I34-A38 PolarHBondContact O-N 3.49Å; I34-I47 HydrophobicContact CB-CG2 4.34Å; I34-I47 HydrophobicContact CG1-CG2 3.94Å; I34-I47 HydrophobicContact CG2-CG2 4.42Å; I34-L51 HydrophobicContact CB-CD1 4.47Å; I34-L51 HydrophobicContact CG1-CD1 3.53Å; I34-V53 HydrophobicContact CD1-CG1 4.25Å; I34-V58 HydrophobicContact CD1-CG2 4.2Å; I34-V58 HydrophobicContact CG1-CG2 4.44Å; I34-V58 HydrophobicContact CG2-CG1 4.01Å; I34-I61 HydrophobicContact CB-CG2 4.45Å; I34-I61 HydrophobicContact CD1-CD1 3.56Å; I34-I61 HydrophobicContact CG2-CB 4.31Å; I34-I61 HydrophobicContact CG2-CG2 3.92Å; I34-L62 HydrophobicContact CG2-CD1 4.46Å; I34-L62 HydrophobicContact CG2-CD2 3.79Å; I34-L62 HydrophobicContact CG2-CG 3.87Å
35V95.2Very high94.1Very high3 Ų362.6 Ų62.62%0.01834%0.337CS..Hα-helixtrans-71.8-43.5178.4171.80000111.3R31 Q32 L37 A38 H39 L62 Y65 I71R31-V35 PolarHBondContact O-N 2.98Å; Q32-V35 CarbonylContact O-C 3.6Å; Q32-V35 WeakPolarHBondContact O-CA 3.23Å; Q32-V35 WeakPolarHBondContact O-CB 3.25Å; Q32-V35 PolarHBondContact O-N 3.22Å; V35-L37 VanDerWaalsContact C-N 3.29Å; V35-L37 PolarHBondContact O-N 3.06Å; V35-A38 PolarHBondContact O-N 2.93Å; V35-A38 VanDerWaalsContact O-N 3.12Å; V35-H39 WeakPolarHBondContact CG1-CE1 3.25Å; V35-H39 PolarHBondContact O-N 3.16Å; V35-L62 HydrophobicContact CG2-CD2 4.16Å; V35-Y65 HydrophobicContact CG1-CD1 3.85Å; V35-Y65 HydrophobicContact CG1-CD2 4.22Å; V35-Y65 HydrophobicContact CG1-CE1 3.6Å; V35-Y65 HydrophobicContact CG1-CE2 3.98Å; V35-Y65 HydrophobicContact CG1-CG 4.15Å; V35-Y65 HydrophobicContact CG2-CD1 4.09Å; V35-Y65 HydrophobicContact CG2-CD2 3.98Å; V35-Y65 HydrophobicContact CG2-CG 3.73Å; V35-I71 HydrophobicContact CB-CG2 4.45Å; V35-I71 HydrophobicContact CG2-CG2 3.66Å
36D95.9Very high94.5Very high62 Ų6261.9 Ų61.933%0.33233%0.329SS..Hα-helixtrans-51.3-49.4175.8-63.7-23.8000111.4Q32 R33 H39 Q40Q32-D36 PolarHBondContact O-N 3.09Å; R33-D36 WeakPolarHBondContact CA-OD2 3.33Å; R33-D36 IonicContact NH1-OD2 2.75Å; D36-H39 PolarHBondContact O-N 3.28Å; D36-Q40 WeakPolarHBondContact O-CG 3.35Å; D36-Q40 PolarHBondContact O-N 2.95Å; D36-Q40 PolarHBondContact O-NE2 2.99Å
37L95.8Very high94.7Very high6 Ų660.3 Ų60.33%0.03132%0.321CS..Hα-helixtrans-70.7-33.8-177.4-69.5170.3000111.8R33 V35 Q40 G41 V42 I47 L51R33-L37 HydrophobicContact CG-CD1 4.23Å; R33-L37 WeakPolarHBondContact O-CB 3.34Å; R33-L37 WeakPolarHBondContact O-CD1 3.46Å; R33-L37 VanDerWaalsContact O-CG 3.28Å; R33-L37 WeakPolarHBondContact O-CG 3.34Å; R33-L37 PolarHBondContact O-N 2.91Å; V35-L37 VanDerWaalsContact C-N 3.29Å; V35-L37 PolarHBondContact O-N 3.06Å; L37-Q40 CarbonylContact O-C 3.59Å; L37-Q40 WeakPolarHBondContact O-CB 3.31Å; L37-Q40 PolarHBondContact O-N 3.45Å; L37-G41 PolarHBondContact O-N 3.44Å; L37-V42 HydrophobicContact CB-CB 4.2Å; L37-V42 HydrophobicContact CB-CG2 4.3Å; L37-V42 HydrophobicContact CD2-CG2 4.21Å; L37-V42 VanDerWaalsContact O-CB 3.24Å; L37-V42 WeakPolarHBondContact O-CB 3.45Å; L37-V42 WeakPolarHBondContact O-CG2 3.25Å; L37-V42 PolarHBondContact O-N 2.99Å; L37-I47 HydrophobicContact CB-CD1 3.77Å; L37-I47 HydrophobicContact CB-CG1 3.76Å; L37-I47 HydrophobicContact CD1-CG1 4.38Å; L37-I47 HydrophobicContact CD1-CG2 4.28Å; L37-L51 HydrophobicContact CD1-CD1 4.04Å; L37-L51 HydrophobicContact CD1-CD2 4.23Å; L37-L51 HydrophobicContact CD1-CG 4.12Å
38A94.9Very high94.9Very high17 Ų1756.9 Ų56.914%0.1430%0.299CS..Hα-helixtrans-66.8-37.6173.800000111.9I34 V35 Q40 G41 I47 L62I34-A38 PolarHBondContact O-N 3.49Å; V35-A38 PolarHBondContact O-N 2.93Å; V35-A38 VanDerWaalsContact O-N 3.12Å; A38-Q40 VanDerWaalsContact C-N 3.3Å; A38-Q40 PolarHBondContact O-N 3.42Å; A38-G41 PolarHBondContact O-N 3.26Å; A38-I47 HydrophobicContact CB-CD1 4Å; A38-L62 HydrophobicContact CB-CD1 4.09Å; A38-L62 HydrophobicContact CB-CD2 3.54Å; A38-L62 HydrophobicContact CB-CG 4.49Å
39H94.8Very high95Very high114 Ų11459.8 Ų59.853%0.52831%0.307SS..Hα-helixtrans-67.4-28.4171.5-67.6153.4000113.3V35 D36 G41 Y65V35-H39 WeakPolarHBondContact CG1-CE1 3.25Å; V35-H39 PolarHBondContact O-N 3.16Å; D36-H39 PolarHBondContact O-N 3.28Å; H39-G41 PolarHBondContact O-N 3.17Å; H39-Y65 AromaticContact CE1-CE1 3.54Å; H39-Y65 AromaticContact CE1-CZ 3.79Å; H39-Y65 PolarHBondContact CE1-OH 2.99Å; H39-Y65 AromaticContact NE2-CE1 3.43Å; H39-Y65 WeakPolarHBondContact NE2-CE1 3.45Å
40Q96.2Very high95Very high115 Ų11559.9 Ų59.954%0.53730%0.299SS..THydrogen-bonded Turntrans-74.85.6168.9-72.515775.800113.2D36 L37 A38 V42D36-Q40 WeakPolarHBondContact O-CG 3.35Å; D36-Q40 PolarHBondContact O-N 2.95Å; D36-Q40 PolarHBondContact O-NE2 2.99Å; L37-Q40 CarbonylContact O-C 3.59Å; L37-Q40 WeakPolarHBondContact O-CB 3.31Å; L37-Q40 PolarHBondContact O-N 3.45Å; A38-Q40 VanDerWaalsContact C-N 3.3Å; A38-Q40 PolarHBondContact O-N 3.42Å; Q40-V42 VanDerWaalsContact C-N 3.26Å; Q40-V42 HydrophobicContact CB-CG2 4.17Å; Q40-V42 PolarHBondContact O-N 3.1Å
41G93.8Very high95Very high63 Ų6360.2 Ų60.265%0.64930%0.299SS*.THydrogen-bonded Turntrans74.89-179.500000114.8L37 A38 H39 R43L37-G41 PolarHBondContact O-N 3.44Å; A38-G41 PolarHBondContact O-N 3.26Å; H39-G41 PolarHBondContact O-N 3.17Å; G41-R43 PolarHBondContact O-N 3.47Å
42V96.3Very high95Very high36 Ų3666.1 Ų66.122%0.21832%0.322CS..  trans-70132.1179.6-173.30000109.6L37 Q40 D46 I47L37-V42 HydrophobicContact CB-CB 4.2Å; L37-V42 HydrophobicContact CB-CG2 4.3Å; L37-V42 HydrophobicContact CD2-CG2 4.21Å; L37-V42 VanDerWaalsContact O-CB 3.24Å; L37-V42 WeakPolarHBondContact O-CB 3.45Å; L37-V42 WeakPolarHBondContact O-CG2 3.25Å; L37-V42 PolarHBondContact O-N 2.99Å; Q40-V42 VanDerWaalsContact C-N 3.26Å; Q40-V42 HydrophobicContact CB-CG2 4.17Å; Q40-V42 PolarHBondContact O-N 3.1Å; V42-D46 HydrophobicContact CG1-CB 3.92Å; V42-I47 HydrophobicContact CB-CD1 4.36Å; V42-I47 HydrophobicContact CB-CG1 4.02Å; V42-I47 HydrophobicContact CG1-CG1 3.8Å; V42-I47 WeakPolarHBondContact O-CD1 3.43Å
43R96Very high95Very high175 Ų17562.3 Ų62.366%0.6630%0.304SS*.  trans-65.9140.6-176.4-54.7178.973.9-174.83.5110.6G41 C45 D46 I47G41-R43 PolarHBondContact O-N 3.47Å; R43-C45 PolarHBondContact O-N 2.88Å; R43-D46 WeakPolarHBondContact O-CA 3.48Å; R43-D46 PolarHBondContact O-N 2.93Å; R43-I47 PolarHBondContact O-N 3.37Å
44P94.3Very high94.9Very high56 Ų5660.2 Ų60.236%0.36431%0.306SS..Hα-helixtrans-55.2-28.5-178.5-30.236.5000115.5S48 V58 L62P44-S48 VanDerWaalsContact O-CB 3.31Å; P44-S48 WeakPolarHBondContact O-CB 3.24Å; P44-S48 PolarHBondContact O-N 2.99Å; P44-V58 HydrophobicContact CB-CG1 4.15Å; P44-L62 HydrophobicContact CB-CD1 4.33Å; P44-L62 HydrophobicContact CG-CD1 4.04Å
45C95.8Very high94.9Very high37 Ų3765 Ų6525%0.2533%0.329CS..Hα-helixtrans-71.1-30.7174.655.70000113.4R43 R49R43-C45 PolarHBondContact O-N 2.88Å; C45-R49 VanDerWaalsContact O-CZ 3.32Å; C45-R49 PolarHBondContact O-N 3.35Å; C45-R49 PolarHBondContact O-NE 3.3Å
46D95.9Very high94.8Very high50 Ų5067.2 Ų67.227%0.26735%0.351SS..Hα-helixtrans-81.2-37.2174.7-63.7-52.5000111.6V42 R43 S48 R49 Q50V42-D46 HydrophobicContact CG1-CB 3.92Å; R43-D46 WeakPolarHBondContact O-CA 3.48Å; R43-D46 PolarHBondContact O-N 2.93Å; D46-S48 VanDerWaalsContact C-N 3.28Å; D46-S48 PolarHBondContact O-N 3.1Å; D46-R49 PolarHBondContact O-N 2.8Å; D46-R49 IonicContact OD1-CZ 3.32Å; D46-R49 IonicContact OD1-NE 3.13Å; D46-R49 PolarHBondContact OD1-NE 3Å; D46-R49 VanDerWaalsContact OD1-NE 3.13Å; D46-R49 IonicContact OD1-NH2 2.68Å; D46-R49 PolarHBondContact OD1-NH2 3.22Å; D46-R49 IonicContact OD2-NH2 3.88Å; D46-Q50 WeakPolarHBondContact O-CB 3.45Å; D46-Q50 VanDerWaalsContact O-CG 3.3Å; D46-Q50 WeakPolarHBondContact O-CG 3.36Å; D46-Q50 PolarHBondContact O-N 3.24Å
47I95.1Very high94.7Very high0 Ų066 Ų660%035%0.348CS..Hα-helixtrans-56.4-45.1168.9-60178000110.4I34 L37 A38 V42 R43 R49 Q50 L51 V58I34-I47 HydrophobicContact CB-CG2 4.34Å; I34-I47 HydrophobicContact CG1-CG2 3.94Å; I34-I47 HydrophobicContact CG2-CG2 4.42Å; L37-I47 HydrophobicContact CB-CD1 3.77Å; L37-I47 HydrophobicContact CB-CG1 3.76Å; L37-I47 HydrophobicContact CD1-CG1 4.38Å; L37-I47 HydrophobicContact CD1-CG2 4.28Å; A38-I47 HydrophobicContact CB-CD1 4Å; V42-I47 HydrophobicContact CB-CD1 4.36Å; V42-I47 HydrophobicContact CB-CG1 4.02Å; V42-I47 HydrophobicContact CG1-CG1 3.8Å; V42-I47 WeakPolarHBondContact O-CD1 3.43Å; R43-I47 PolarHBondContact O-N 3.37Å; I47-R49 PolarHBondContact O-N 3.45Å; I47-Q50 PolarHBondContact O-N 2.97Å; I47-L51 HydrophobicContact CG2-CD1 3.86Å; I47-L51 HydrophobicContact CG2-CG 4.45Å; I47-L51 WeakPolarHBondContact O-CB 3.23Å; I47-L51 PolarHBondContact O-N 2.95Å; I47-V58 HydrophobicContact CB-CG1 4.24Å; I47-V58 HydrophobicContact CG2-CG1 3.98Å; I47-V58 HydrophobicContact CG2-CG2 4.38Å
48S95.6Very high94.7Very high9 Ų965.7 Ų65.76%0.06335%0.346CS..Hα-helixtrans-58.1-45176.5177.80000112.3P44 D46 R52 V53 H55P44-S48 VanDerWaalsContact O-CB 3.31Å; P44-S48 WeakPolarHBondContact O-CB 3.24Å; P44-S48 PolarHBondContact O-N 2.99Å; D46-S48 VanDerWaalsContact C-N 3.28Å; D46-S48 PolarHBondContact O-N 3.1Å; S48-R52 CarbonylContact O-C 3.59Å; S48-R52 VanDerWaalsContact O-CA 3.31Å; S48-R52 WeakPolarHBondContact O-CA 3.43Å; S48-R52 PolarHBondContact O-N 3.04Å; S48-R52 VanDerWaalsContact O-N 3.1Å; S48-V53 CarbonylContact C-O 3.59Å; S48-V53 VanDerWaalsContact CA-O 3.3Å; S48-V53 WeakPolarHBondContact CA-O 3.45Å; S48-V53 WeakPolarHBondContact CB-O 3.26Å; S48-V53 PolarHBondContact O-N 2.99Å; S48-V53 PolarHBondContact OG-O 2.95Å; S48-H55 PolarHBondContact OG-N 3.2Å
49R93.9Very high94.7Very high141 Ų14168.2 Ų68.253%0.53236%0.362SS..Hα-helixtrans-66.4-51.7175.7-75.3-179.9-83.3-94.26.3112.7C45 D46 I47 L51 R52C45-R49 VanDerWaalsContact O-CZ 3.32Å; C45-R49 PolarHBondContact O-N 3.35Å; C45-R49 PolarHBondContact O-NE 3.3Å; D46-R49 PolarHBondContact O-N 2.8Å; D46-R49 IonicContact OD1-CZ 3.32Å; D46-R49 IonicContact OD1-NE 3.13Å; D46-R49 PolarHBondContact OD1-NE 3Å; D46-R49 VanDerWaalsContact OD1-NE 3.13Å; D46-R49 IonicContact OD1-NH2 2.68Å; D46-R49 PolarHBondContact OD1-NH2 3.22Å; D46-R49 IonicContact OD2-NH2 3.88Å; I47-R49 PolarHBondContact O-N 3.45Å; R49-L51 PolarHBondContact O-N 3.38Å; R49-R52 PolarHBondContact O-N 3.4Å
50Q93.7Very high94.7Very high119 Ų11970.3 Ų70.356%0.55637%0.37SS*.Hα-helixtrans-61.3-46.5-175.7-72175.916.500112.4D46 I47 R52D46-Q50 WeakPolarHBondContact O-CB 3.45Å; D46-Q50 VanDerWaalsContact O-CG 3.3Å; D46-Q50 WeakPolarHBondContact O-CG 3.36Å; D46-Q50 PolarHBondContact O-N 3.24Å; I47-Q50 PolarHBondContact O-N 2.97Å; Q50-R52 VanDerWaalsContact C-N 3.32Å
51L93.4Very high94.5Very high47 Ų4765.8 Ų65.825%0.24635%0.349CS..THydrogen-bonded Turntrans-87.2-2.9-178.9-56.9-178.4000113.1V30 R33 I34 L37 I47 R49 V53V30-L51 HydrophobicContact CG1-CB 4.5Å; V30-L51 HydrophobicContact CG1-CD1 4.38Å; R33-L51 HydrophobicContact CB-CD1 4.19Å; R33-L51 HydrophobicContact CB-CD2 4.46Å; R33-L51 HydrophobicContact CG-CD1 4.08Å; R33-L51 HydrophobicContact CG-CD2 3.73Å; I34-L51 HydrophobicContact CB-CD1 4.47Å; I34-L51 HydrophobicContact CG1-CD1 3.53Å; L37-L51 HydrophobicContact CD1-CD1 4.04Å; L37-L51 HydrophobicContact CD1-CD2 4.23Å; L37-L51 HydrophobicContact CD1-CG 4.12Å; I47-L51 HydrophobicContact CG2-CD1 3.86Å; I47-L51 HydrophobicContact CG2-CG 4.45Å; I47-L51 WeakPolarHBondContact O-CB 3.23Å; I47-L51 PolarHBondContact O-N 2.95Å; R49-L51 PolarHBondContact O-N 3.38Å; L51-V53 HydrophobicContact CB-CG2 4.06Å; L51-V53 PolarHBondContact O-N 3.21Å
52R94Very high94.6Very high140 Ų14063.3 Ų63.353%0.52832%0.321SS..THydrogen-bonded Turntrans52.837.9-174.8-52.6-179.7178.1-167.1-0.9112.8N14 L16 G17 S48 R49 Q50N14-R52 PolarHBondContact ND2-O 3.12Å; N14-R52 PolarHBondContact OD1-O 3.48Å; L16-R52 HydrophobicContact CB-CB 4.1Å; L16-R52 WeakPolarHBondContact O-CB 3.49Å; L16-R52 VanDerWaalsContact O-CD 3.27Å; L16-R52 WeakPolarHBondContact O-CD 3.28Å; L16-R52 VanDerWaalsContact O-CG 3.31Å; L16-R52 WeakPolarHBondContact O-CG 3.46Å; G17-R52 VanDerWaalsContact O-CD 3.29Å; G17-R52 WeakPolarHBondContact O-CD 3.41Å; G17-R52 PolarHBondContact O-NH1 2.89Å; S48-R52 CarbonylContact O-C 3.59Å; S48-R52 VanDerWaalsContact O-CA 3.31Å; S48-R52 WeakPolarHBondContact O-CA 3.43Å; S48-R52 PolarHBondContact O-N 3.04Å; S48-R52 VanDerWaalsContact O-N 3.1Å; R49-R52 PolarHBondContact O-N 3.4Å; Q50-R52 VanDerWaalsContact C-N 3.32Å
53V93.1Very high94.4Very high10 Ų1062.8 Ų62.86%0.06132%0.323CS..  trans-106.7138.5178.5175.10000108.6L16 L26 V30 I34 S48 L51 C57 V58L16-V53 WeakPolarHBondContact CD1-O 3.37Å; L26-V53 HydrophobicContact CD1-CG2 4.28Å; L26-V53 HydrophobicContact CD2-CG1 4.05Å; L26-V53 HydrophobicContact CD2-CG2 4.07Å; V30-V53 HydrophobicContact CG1-CG2 3.8Å; I34-V53 HydrophobicContact CD1-CG1 4.25Å; S48-V53 CarbonylContact C-O 3.59Å; S48-V53 VanDerWaalsContact CA-O 3.3Å; S48-V53 WeakPolarHBondContact CA-O 3.45Å; S48-V53 WeakPolarHBondContact CB-O 3.26Å; S48-V53 PolarHBondContact O-N 2.99Å; S48-V53 PolarHBondContact OG-O 2.95Å; L51-V53 HydrophobicContact CB-CG2 4.06Å; L51-V53 PolarHBondContact O-N 3.21Å; V53-C57 HydrophobicContact CG1-CB 3.75Å; V53-V58 HydrophobicContact CB-CG2 4.09Å; V53-V58 HydrophobicContact CG1-CG2 3.87Å
54S93.6Very high94.2Very high65 Ų6558 Ų5846%0.45531%0.305SS..  trans-60.7140.1-179.161.60000112.2G56 C57 V58S54-G56 VanDerWaalsContact C-N 3.28Å; S54-G56 PolarHBondContact O-N 3.22Å; S54-C57 WeakPolarHBondContact O-CA 3.18Å; S54-C57 VanDerWaalsContact O-CB 3.32Å; S54-C57 WeakPolarHBondContact O-CB 3.36Å; S54-C57 PolarHBondContact O-N 3.45Å; S54-C57 WeakPolarHBondContact OG-CB 3.18Å; S54-V58 PolarHBondContact O-N 2.89Å; S54-V58 VanDerWaalsContact O-N 3.1Å
55H95.6Very high94.1Very high101 Ų10158.2 Ų58.247%0.46830%0.299SS..Hα-helixtrans-55.6-40-174.6-176.1-110.5000113.1S48 C57 V58 S59S48-H55 PolarHBondContact OG-N 3.2Å; H55-C57 VanDerWaalsContact C-N 3.27Å; H55-C57 PolarHBondContact O-N 2.97Å; H55-V58 PolarHBondContact O-N 2.9Å; H55-S59 WeakPolarHBondContact O-CB 3.39Å; H55-S59 PolarHBondContact O-N 2.8Å
56G94.2Very high93.9Very high48 Ų4863.6 Ų63.650%0.49532%0.315SS..Hα-helixtrans-66.9-22.1175.200000114.6S54 K60S54-G56 VanDerWaalsContact C-N 3.28Å; S54-G56 PolarHBondContact O-N 3.22Å; G56-K60 VanDerWaalsContact O-CB 3.22Å; G56-K60 WeakPolarHBondContact O-CB 3.48Å; G56-K60 PolarHBondContact O-N 3.15Å
57C92.8Very high93.6Very high37 Ų3768.2 Ų68.225%0.2534%0.335CS..Hα-helixtrans-78.5-46.2171.1-176.20000110.7V53 S54 H55 S59 K60 I61V53-C57 HydrophobicContact CG1-CB 3.75Å; S54-C57 WeakPolarHBondContact O-CA 3.18Å; S54-C57 VanDerWaalsContact O-CB 3.32Å; S54-C57 WeakPolarHBondContact O-CB 3.36Å; S54-C57 PolarHBondContact O-N 3.45Å; S54-C57 WeakPolarHBondContact OG-CB 3.18Å; H55-C57 VanDerWaalsContact C-N 3.27Å; H55-C57 PolarHBondContact O-N 2.97Å; C57-S59 PolarHBondContact O-N 3.1Å; C57-K60 PolarHBondContact O-N 3.36Å; C57-I61 WeakPolarHBondContact O-CD1 3.39Å; C57-I61 WeakPolarHBondContact O-CG1 3.44Å; C57-I61 PolarHBondContact O-N 3.04Å
58V95.8Very high93.3Very high0 Ų072.3 Ų72.30%036%0.36CS..Hα-helixtrans-54.9-52.1173.5177.70000110.8I34 P44 I47 V53 S54 H55 K60 I61 L62I34-V58 HydrophobicContact CD1-CG2 4.2Å; I34-V58 HydrophobicContact CG1-CG2 4.44Å; I34-V58 HydrophobicContact CG2-CG1 4.01Å; P44-V58 HydrophobicContact CB-CG1 4.15Å; I47-V58 HydrophobicContact CB-CG1 4.24Å; I47-V58 HydrophobicContact CG2-CG1 3.98Å; I47-V58 HydrophobicContact CG2-CG2 4.38Å; V53-V58 HydrophobicContact CB-CG2 4.09Å; V53-V58 HydrophobicContact CG1-CG2 3.87Å; S54-V58 PolarHBondContact O-N 2.89Å; S54-V58 VanDerWaalsContact O-N 3.1Å; H55-V58 PolarHBondContact O-N 2.9Å; V58-K60 PolarHBondContact O-N 3.21Å; V58-I61 PolarHBondContact O-N 2.93Å; V58-L62 HydrophobicContact CG1-CD1 3.93Å; V58-L62 HydrophobicContact CG1-CG 4.46Å; V58-L62 WeakPolarHBondContact O-CG 3.35Å; V58-L62 PolarHBondContact O-N 2.89Å
59S95.1Very high92.9Very high69 Ų6974.4 Ų74.448%0.48338%0.383SS..Hα-helixtrans-57-44.5177.2170.70000112.6H55 C57 I61 L62 G63H55-S59 WeakPolarHBondContact O-CB 3.39Å; H55-S59 PolarHBondContact O-N 2.8Å; C57-S59 PolarHBondContact O-N 3.1Å; S59-I61 VanDerWaalsContact C-N 3.34Å; S59-I61 PolarHBondContact O-N 3.09Å; S59-L62 PolarHBondContact O-N 3.02Å; S59-G63 PolarHBondContact O-N 3.07Å
60K94.1Very high92.5Very high159 Ų15969.7 Ų69.769%0.69137%0.371SS*.Hα-helixtrans-67.8-30.6179.4-175171.4-65.1-173.80113.5G56 C57 V58 R64G56-K60 VanDerWaalsContact O-CB 3.22Å; G56-K60 WeakPolarHBondContact O-CB 3.48Å; G56-K60 PolarHBondContact O-N 3.15Å; C57-K60 PolarHBondContact O-N 3.36Å; V58-K60 PolarHBondContact O-N 3.21Å; K60-R64 WeakPolarHBondContact O-CB 3.49Å; K60-R64 PolarHBondContact O-N 3.03Å
61I93.6Very high92.1Very high20 Ų2064.9 Ų64.910%0.10335%0.35CS..Hα-helixtrans-73.8-45.9174.5-69.4156.3000110.2L26 R31 I34 C57 V58 S59 Y65L26-I61 HydrophobicContact CD2-CD1 3.81Å; R31-I61 HydrophobicContact CG-CD1 3.79Å; R31-I61 HydrophobicContact CG-CG1 4.21Å; R31-I61 HydrophobicContact CG-CG2 4.41Å; I34-I61 HydrophobicContact CB-CG2 4.45Å; I34-I61 HydrophobicContact CD1-CD1 3.56Å; I34-I61 HydrophobicContact CG2-CB 4.31Å; I34-I61 HydrophobicContact CG2-CG2 3.92Å; C57-I61 WeakPolarHBondContact O-CD1 3.39Å; C57-I61 WeakPolarHBondContact O-CG1 3.44Å; C57-I61 PolarHBondContact O-N 3.04Å; V58-I61 PolarHBondContact O-N 2.93Å; S59-I61 VanDerWaalsContact C-N 3.34Å; S59-I61 PolarHBondContact O-N 3.09Å; I61-Y65 WeakPolarHBondContact O-CB 3.48Å; I61-Y65 PolarHBondContact O-N 3.42Å
62L94.1Very high91.8Very high11 Ų1169.6 Ų69.66%0.05836%0.364CS..Hα-helixtrans-66.4-43.5-179.7-67.7177.1000112.5I34 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 3.87Å; V35-L62 HydrophobicContact CG2-CD2 4.16Å; A38-L62 HydrophobicContact CB-CD1 4.09Å; A38-L62 HydrophobicContact CB-CD2 3.54Å; A38-L62 HydrophobicContact CB-CG 4.49Å; P44-L62 HydrophobicContact CB-CD1 4.33Å; P44-L62 HydrophobicContact CG-CD1 4.04Å; V58-L62 HydrophobicContact CG1-CD1 3.93Å; V58-L62 HydrophobicContact CG1-CG 4.46Å; V58-L62 WeakPolarHBondContact O-CG 3.35Å; V58-L62 PolarHBondContact O-N 2.89Å; S59-L62 PolarHBondContact O-N 3.02Å; L62-R64 PolarHBondContact O-N 3.2Å; L62-Y65 WeakPolarHBondContact O-CB 3.34Å; L62-Y65 PolarHBondContact O-N 3.22Å; L62-Y65 VanDerWaalsContact O-N 3.1Å; L62-Y66 HydrophobicContact CB-CD2 4.45Å; L62-Y66 HydrophobicContact CB-CE2 4Å; L62-Y66 WeakPolarHBondContact O-CD2 3.34Å; L62-Y66 PolarHBondContact O-N 2.78Å
63G92.8Very high91.2Very high25 Ų2565.5 Ų65.526%0.25836%0.355SS..Hα-helixtrans-56.9-52.5174.700000112S59 Y65 Y66 E67S59-G63 PolarHBondContact O-N 3.07Å; G63-Y65 PolarHBondContact O-N 3.48Å; G63-Y66 PolarHBondContact O-N 3.1Å; G63-Y66 VanDerWaalsContact O-N 3.14Å; G63-E67 WeakPolarHBondContact O-CB 3.35Å; G63-E67 VanDerWaalsContact O-CG 3.23Å; G63-E67 WeakPolarHBondContact O-CG 3.36Å; G63-E67 PolarHBondContact O-N 2.99Å
64R91.4Very high90.7Very high75 Ų7567.2 Ų67.228%0.28338%0.375SS..Hα-helixtrans-59.4-27.9174.3-87.3-82.6-78.688.815.5114.4K60 L62 T68 S70 R72K60-R64 WeakPolarHBondContact O-CB 3.49Å; K60-R64 PolarHBondContact O-N 3.03Å; L62-R64 PolarHBondContact O-N 3.2Å; R64-T68 PolarHBondContact NH1-OG1 2.86Å; R64-T68 WeakPolarHBondContact O-CB 3.16Å; R64-T68 PolarHBondContact O-N 3.12Å; R64-T68 VanDerWaalsContact O-N 3.13Å; R64-T68 PolarHBondContact O-OG1 3.13Å; R64-T68 VanDerWaalsContact O-OG1 3.1Å; R64-S70 PolarHBondContact NH1-O 2.93Å; R64-S70 VanDerWaalsContact NH1-O 3.08Å; R64-R72 PolarHBondContact NH2-O 2.93Å
65Y92.9Very high89.9Confident59 Ų5971 Ų7123%0.23140%0.395CS..Hα-helixtrans-76-44.9174.4-177.8-100.6000111.7V35 H39 I61 L62 G63 E67 G69 I71V35-Y65 HydrophobicContact CG1-CD1 3.85Å; V35-Y65 HydrophobicContact CG1-CD2 4.22Å; V35-Y65 HydrophobicContact CG1-CE1 3.6Å; V35-Y65 HydrophobicContact CG1-CE2 3.98Å; V35-Y65 HydrophobicContact CG1-CG 4.15Å; V35-Y65 HydrophobicContact CG2-CD1 4.09Å; V35-Y65 HydrophobicContact CG2-CD2 3.98Å; V35-Y65 HydrophobicContact CG2-CG 3.73Å; H39-Y65 AromaticContact CE1-CE1 3.54Å; H39-Y65 AromaticContact CE1-CZ 3.79Å; H39-Y65 PolarHBondContact CE1-OH 2.99Å; H39-Y65 AromaticContact NE2-CE1 3.43Å; H39-Y65 WeakPolarHBondContact NE2-CE1 3.45Å; I61-Y65 WeakPolarHBondContact O-CB 3.48Å; I61-Y65 PolarHBondContact O-N 3.42Å; L62-Y65 WeakPolarHBondContact O-CB 3.34Å; L62-Y65 PolarHBondContact O-N 3.22Å; L62-Y65 VanDerWaalsContact O-N 3.1Å; G63-Y65 PolarHBondContact O-N 3.48Å; Y65-E67 VanDerWaalsContact C-N 3.33Å; Y65-E67 PolarHBondContact O-N 2.87Å; Y65-G69 VanDerWaalsContact CE2-O 3.23Å; Y65-G69 WeakPolarHBondContact CE2-O 3.28Å; Y65-G69 WeakPolarHBondContact O-CA 3.45Å; Y65-G69 PolarHBondContact O-N 3.48Å; Y65-I71 HydrophobicContact CD2-CG2 3.53Å; Y65-I71 HydrophobicContact CE2-CG2 4.06Å; Y65-I71 HydrophobicContact CG-CG2 4.39Å
66Y91.4Very high88.5Confident151 Ų15172.3 Ų72.359%0.59240%0.404SS*.Hα-helixtrans-69.6-29.2176.2-59.9-50.5000113L62 G63L62-Y66 HydrophobicContact CB-CD2 4.45Å; L62-Y66 HydrophobicContact CB-CE2 4Å; L62-Y66 WeakPolarHBondContact O-CD2 3.34Å; L62-Y66 PolarHBondContact O-N 2.78Å; G63-Y66 PolarHBondContact O-N 3.1Å; G63-Y66 VanDerWaalsContact O-N 3.14Å
67E89.8Confident87Confident147 Ų14773.1 Ų73.169%0.68741%0.413SS*.Hα-helixtrans-75.7-40.9175-72161.1-160.800113.7G63 Y65G63-E67 WeakPolarHBondContact O-CB 3.35Å; G63-E67 VanDerWaalsContact O-CG 3.23Å; G63-E67 WeakPolarHBondContact O-CG 3.36Å; G63-E67 PolarHBondContact O-N 2.99Å; Y65-E67 VanDerWaalsContact C-N 3.33Å; Y65-E67 PolarHBondContact O-N 2.87Å
68T88.7Confident85.8Confident86 Ų8675 Ų7553%0.52844%0.439SS..Hα-helixtrans-123.6-7-166.4-29.20000114.2R64 S70R64-T68 PolarHBondContact NH1-OG1 2.86Å; R64-T68 WeakPolarHBondContact O-CB 3.16Å; R64-T68 PolarHBondContact O-N 3.12Å; R64-T68 VanDerWaalsContact O-N 3.13Å; R64-T68 PolarHBondContact O-OG1 3.13Å; R64-T68 VanDerWaalsContact O-OG1 3.1Å; T68-S70 PolarHBondContact O-N 3.15Å
69G87.3Confident84.4Confident52 Ų5280.4 Ų80.454%0.53648%0.476SS..SBendtrans63.40.1-168.500000114.9Y65Y65-G69 VanDerWaalsContact CE2-O 3.23Å; Y65-G69 WeakPolarHBondContact CE2-O 3.28Å; Y65-G69 WeakPolarHBondContact O-CA 3.45Å; Y65-G69 PolarHBondContact O-N 3.48Å
70S85.1Confident82.9Confident42 Ų4286.3 Ų86.329%0.29449%0.493SS..  trans-117.2109.7-164.7-1770000112.1R64 T68 R72R64-S70 PolarHBondContact NH1-O 2.93Å; R64-S70 VanDerWaalsContact NH1-O 3.08Å; T68-S70 PolarHBondContact O-N 3.15Å; S70-R72 PolarHBondContact O-N 2.9Å
71I86.1Confident81.2Confident19 Ų1983.9 Ų83.910%0.09749%0.494CS..  trans-72.3-14.3175.766.7145.6000113.8E28 R31 Q32 V35 Y65E28-I71 HydrophobicContact CG-CD1 4.32Å; E28-I71 WeakPolarHBondContact OE1-CD1 3.4Å; R31-I71 HydrophobicContact CB-CD1 4.09Å; R31-I71 PolarHBondContact NH1-O 3.45Å; Q32-I71 HydrophobicContact CB-CD1 4.34Å; Q32-I71 HydrophobicContact CG-CD1 3.5Å; V35-I71 HydrophobicContact CB-CG2 4.45Å; V35-I71 HydrophobicContact CG2-CG2 3.66Å; Y65-I71 HydrophobicContact CD2-CG2 3.53Å; Y65-I71 HydrophobicContact CE2-CG2 4.06Å; Y65-I71 HydrophobicContact CG-CG2 4.39Å
72R85.7Confident79.7Confident146 Ų14692.6 Ų92.655%0.55153%0.531SS*.SBendtrans-59.1140.4-177-70.4175.768.7-171.12.3109.2R64 S70 D145R64-R72 PolarHBondContact NH2-O 2.93Å; S70-R72 PolarHBondContact O-N 2.9Å; R72-D145 IonicContact NH1-OD1 3.25Å
73P83.1Confident78.2Confident53 Ų5397.9 Ų97.934%0.34456%0.564SS.*PPolyproline II helixtrans-64151.7177.831.3-33.6000109.2P25P25-P73 HydrophobicContact CB-CB 3.61Å; P25-P73 HydrophobicContact CB-CG 4.01Å; P25-P73 HydrophobicContact CG-CB 4.16Å; P25-P73 HydrophobicContact CG-CG 4.1Å
74G80.8Confident76.6Confident46 Ų4698.8 Ų98.847%0.47457%0.569SS.*PPolyproline II helixtrans-59.6160.3169.900000110.9I76G74-I76 VanDerWaalsContact C-N 3.34Å; G74-I76 PolarHBondContact O-N 3.1Å
75V78.4Confident76Confident145 Ų14599.7 Ų99.788%0.87958%0.582SS**  trans-68.193.6175.1-177.20000108.8G77V75-G77 PolarHBondContact O-N 3.32Å
76I65.9Low75.4Confident128 Ų128101.9 Ų101.966%0.65660%0.604SS**  trans-81.9108.7177.8-64.3164.7000107.9P25 G74P25-I76 HydrophobicContact CB-CD1 4.38Å; G74-I76 VanDerWaalsContact C-N 3.34Å; G74-I76 PolarHBondContact O-N 3.1Å
77G61.6Low75.1Confident66 Ų66100.9 Ų100.968%0.6860%0.603SS**  trans110.4139.8177.300000113V75V75-G77 PolarHBondContact O-N 3.32Å
78G67.9Low75.1Confident77 Ų7794.3 Ų94.379%0.79457%0.573SS**  trans138.5126.8-174.800000110.1
79S67.3Low75.1Confident112 Ų11291.9 Ų91.978%0.78356%0.557SS**  trans-71.5140.316343.50000108.8
80K62.9Low75.2Confident194 Ų19495.4 Ų95.484%0.84356%0.56SS**  trans-54.8137.5157.4-72.9-176.1176.5-178.50107.2K82K80-K82 PolarHBondContact O-N 3.1Å
81P58Low75.6Confident107 Ų10796.1 Ų96.170%0.69556%0.558SS**  trans-61.1101.5-178.524.3-33.4000109.6V83 A84P81-V83 VanDerWaalsContact C-N 3.32Å; P81-V83 PolarHBondContact O-N 2.93Å; P81-A84 HydrophobicContact CB-CB 4.33Å
82K63.3Low75.8Confident203 Ų20395.2 Ų95.288%0.88355%0.553SS**THydrogen-bonded Turntrans-73.8-23.8-162.3-156-179.2-178.1-170.90113.3K80K80-K82 PolarHBondContact O-N 3.1Å
83V62.6Low76.1Confident123 Ų12388.4 Ų88.475%0.74553%0.528SS*.THydrogen-bonded Turntrans-14374.4178.9-172.50000108.5P81P81-V83 VanDerWaalsContact C-N 3.32Å; P81-V83 PolarHBondContact O-N 2.93Å
84A58.9Low76.6Confident44 Ų4488.1 Ų88.136%0.36452%0.524SS..  trans-160.879.4170.400000110.3P81 V89P81-A84 HydrophobicContact CB-CB 4.33Å; A84-V89 HydrophobicContact CB-CG2 4.14Å
85T77.9Confident77.2Confident93 Ų9386 Ų8657%0.57150%0.501SS*.  trans-58.1126.3165.624.80000108.9K87 V88 V89T85-K87 VanDerWaalsContact C-N 3.27Å; T85-K87 PolarHBondContact O-N 2.83Å; T85-V88 WeakPolarHBondContact O-CB 3.23Å; T85-V88 PolarHBondContact O-N 3.4Å; T85-V88 WeakPolarHBondContact OG1-CG2 3.23Å; T85-V89 PolarHBondContact O-N 3.08Å
86P81.2Confident77.9Confident106 Ų10681.1 Ų81.169%0.68847%0.468SS*.Hα-helixtrans-60.9-35.2-169.220.1-31.4000113V88 V89 E90P86-V88 PolarHBondContact O-N 2.67Å; P86-V89 WeakPolarHBondContact O-CB 3.39Å; P86-V89 PolarHBondContact O-N 2.82Å; P86-V89 VanDerWaalsContact O-N 3.1Å; P86-E90 PolarHBondContact O-N 2.79Å
87K84.6Confident79.1Confident130 Ų13082.2 Ų82.257%0.56546%0.464SS*.Hα-helixtrans-52-36.6172.3-173.6-175.3179.1-169.20113.6T85 K91T85-K87 VanDerWaalsContact C-N 3.27Å; T85-K87 PolarHBondContact O-N 2.83Å; K87-K91 WeakPolarHBondContact O-CB 3.43Å; K87-K91 PolarHBondContact O-N 3.37Å; K87-K91 VanDerWaalsContact O-N 3.09Å
88V89.2Confident80.5Confident9 Ų984.3 Ų84.36%0.05546%0.456CS..Hα-helixtrans-75.2-41.1179.4-1780000110.6T85 P86 E90 K91 I92 L111 V116 C117 P123T85-V88 WeakPolarHBondContact O-CB 3.23Å; T85-V88 PolarHBondContact O-N 3.4Å; T85-V88 WeakPolarHBondContact OG1-CG2 3.23Å; P86-V88 PolarHBondContact O-N 2.67Å; V88-E90 VanDerWaalsContact C-N 3.29Å; V88-E90 PolarHBondContact O-N 2.91Å; V88-K91 PolarHBondContact O-N 3.37Å; V88-I92 HydrophobicContact CG1-CD1 4.01Å; V88-I92 WeakPolarHBondContact O-CD1 3.32Å; V88-I92 VanDerWaalsContact O-CG1 3.23Å; V88-I92 WeakPolarHBondContact O-CG1 3.37Å; V88-I92 PolarHBondContact O-N 3.03Å; V88-L111 HydrophobicContact CG1-CD1 3.97Å; V88-L111 HydrophobicContact CG1-CD2 4.2Å; V88-V116 HydrophobicContact CG2-CG1 4.21Å; V88-C117 VanDerWaalsContact CG2-SG 3.52Å; V88-P123 HydrophobicContact CG1-CG 3.89Å
89V89.7Confident81.5Confident34 Ų3483.8 Ų83.821%0.20644%0.435CS..Hα-helixtrans-62.2-39.6176.2178.20000111A84 T85 P86 G93 I131 K135A84-V89 HydrophobicContact CB-CG2 4.14Å; T85-V89 PolarHBondContact O-N 3.08Å; P86-V89 WeakPolarHBondContact O-CB 3.39Å; P86-V89 PolarHBondContact O-N 2.82Å; P86-V89 VanDerWaalsContact O-N 3.1Å; V89-G93 PolarHBondContact O-N 2.97Å; V89-I131 HydrophobicContact CG1-CG2 3.94Å; V89-I131 HydrophobicContact CG2-CD1 4.27Å; V89-K135 HydrophobicContact CG1-CB 4.45Å; V89-K135 HydrophobicContact CG1-CG 4.13Å
90E89.9Confident82.6Confident126 Ų12683.1 Ų83.159%0.58943%0.428SS*.Hα-helixtrans-64.5-52.9175.5-176.8166.5-132.500112P86 V88 I92 G93 D94P86-E90 PolarHBondContact O-N 2.79Å; V88-E90 VanDerWaalsContact C-N 3.29Å; V88-E90 PolarHBondContact O-N 2.91Å; E90-I92 VanDerWaalsContact C-N 3.34Å; E90-I92 PolarHBondContact O-N 3.2Å; E90-G93 CarbonylContact O-C 3.49Å; E90-G93 VanDerWaalsContact O-CA 3.23Å; E90-G93 WeakPolarHBondContact O-CA 3.46Å; E90-G93 PolarHBondContact O-N 3.14Å; E90-D94 PolarHBondContact O-N 3.41Å
91K91.5Very high84Confident58 Ų5879.2 Ų79.225%0.25242%0.421SS..Hα-helixtrans-59.3-37.6177.1-82.7-74-158.9164.20113.9K87 V88 G93 D94 Y95 L111 E114 V116K87-K91 WeakPolarHBondContact O-CB 3.43Å; K87-K91 PolarHBondContact O-N 3.37Å; K87-K91 VanDerWaalsContact O-N 3.09Å; V88-K91 PolarHBondContact O-N 3.37Å; K91-G93 PolarHBondContact O-N 3.27Å; K91-D94 PolarHBondContact O-N 3.37Å; K91-Y95 HydrophobicContact CD-CE1 3.9Å; K91-Y95 PolarHBondContact O-N 3.48Å; K91-L111 HydrophobicContact CB-CD2 3.92Å; K91-E114 IonicContact NZ-OE2 3.57Å; K91-E114 PolarHBondContact NZ-OE2 3.44Å; K91-V116 HydrophobicContact CB-CG1 4.25Å; K91-V116 HydrophobicContact CD-CG2 4.43Å; K91-V116 HydrophobicContact CG-CG1 4.04Å; K91-V116 HydrophobicContact CG-CG2 4.21Å
92I92.1Very high85.7Confident0 Ų075.3 Ų75.30%039%0.394CS..Hα-helixtrans-59.5-39.2170.9-71163.9000110.7V88 E90 K96 I107 L111 P123 I128 I131 I132V88-I92 HydrophobicContact CG1-CD1 4.01Å; V88-I92 WeakPolarHBondContact O-CD1 3.32Å; V88-I92 VanDerWaalsContact O-CG1 3.23Å; V88-I92 WeakPolarHBondContact O-CG1 3.37Å; V88-I92 PolarHBondContact O-N 3.03Å; E90-I92 VanDerWaalsContact C-N 3.34Å; E90-I92 PolarHBondContact O-N 3.2Å; I92-K96 WeakPolarHBondContact O-CB 3.18Å; I92-K96 PolarHBondContact O-N 3.49Å; I92-I107 HydrophobicContact CB-CG2 4.36Å; I92-I107 HydrophobicContact CG1-CG2 3.85Å; I92-I107 HydrophobicContact CG2-CG2 4.28Å; I92-L111 HydrophobicContact CD1-CD1 4.14Å; I92-L111 HydrophobicContact CG1-CD1 3.85Å; I92-P123 HydrophobicContact CD1-CG 4.09Å; I92-I128 HydrophobicContact CD1-CG1 4.04Å; I92-I128 HydrophobicContact CG2-CG2 4.11Å; 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 3.88Å
93G92.2Very high87.2Confident2 Ų271.6 Ų71.62%0.02138%0.378CS..Hα-helixtrans-64.3-44.9172.600000112.9V89 E90 K91 K96 R97V89-G93 PolarHBondContact O-N 2.97Å; E90-G93 CarbonylContact O-C 3.49Å; E90-G93 VanDerWaalsContact O-CA 3.23Å; E90-G93 WeakPolarHBondContact O-CA 3.46Å; E90-G93 PolarHBondContact O-N 3.14Å; K91-G93 PolarHBondContact O-N 3.27Å; G93-K96 PolarHBondContact O-N 3.37Å; G93-R97 WeakPolarHBondContact O-CB 3.42Å; G93-R97 VanDerWaalsContact O-CG 3.28Å; G93-R97 WeakPolarHBondContact O-CG 3.35Å; G93-R97 PolarHBondContact O-N 2.96Å
94D92.6Very high88.7Confident48 Ų4866.1 Ų66.126%0.25735%0.345SS..Hα-helixtrans-60.9-52.8178.2-71.6-45.5000112.8E90 K91 K96 R97 Q98E90-D94 PolarHBondContact O-N 3.41Å; K91-D94 PolarHBondContact O-N 3.37Å; D94-K96 VanDerWaalsContact C-N 3.26Å; D94-K96 PolarHBondContact O-N 2.93Å; D94-R97 PolarHBondContact O-N 3.44Å; D94-R97 VanDerWaalsContact O-N 3.16Å; D94-R97 IonicContact OD1-CZ 2.63Å; D94-R97 IonicContact OD1-NE 3.91Å; D94-R97 IonicContact OD1-NH2 2.85Å; D94-R97 PolarHBondContact OD1-NH2 3.39Å; D94-R97 IonicContact OD2-NH2 3.25Å; D94-Q98 WeakPolarHBondContact O-CB 3.35Å; D94-Q98 VanDerWaalsContact O-CG 3.23Å; D94-Q98 WeakPolarHBondContact O-CG 3.46Å; D94-Q98 PolarHBondContact O-N 2.79Å
95Y93.2Very high90.4Very high1 Ų170.4 Ų70.40%0.00435%0.352CS..Hα-helixtrans-61-38.3-178.2-55.3-22.9000111.5K91 Q98 N99 I107 R110 L111 E114K91-Y95 HydrophobicContact CD-CE1 3.9Å; K91-Y95 PolarHBondContact O-N 3.48Å; Y95-Q98 PolarHBondContact O-N 3.23Å; Y95-N99 PolarHBondContact O-N 3.06Å; Y95-I107 HydrophobicContact CD2-CG2 4.26Å; Y95-R110 HydrophobicContact CD2-CB 4.22Å; Y95-R110 HydrophobicContact CD2-CG 4.1Å; Y95-R110 HydrophobicContact CE1-CG 4.3Å; Y95-R110 HydrophobicContact CE2-CB 3.98Å; Y95-R110 HydrophobicContact CE2-CG 3.72Å; Y95-L111 HydrophobicContact CE2-CD2 3.92Å; Y95-L111 HydrophobicContact CE2-CG 4.04Å; Y95-E114 WeakPolarHBondContact CE1-OE1 3.37Å; Y95-E114 PolarHBondContact OH-OE1 3.03Å; Y95-E114 PolarHBondContact OH-OE2 2.88Å
96K92.4Very high91.2Very high42 Ų4268.9 Ų68.918%0.18334%0.339CS..Hα-helixtrans-78.6-22.5179.4-165.757.1165.7178.20113.7I92 G93 D94 N99 P100 M102 I107 I132 V136I92-K96 WeakPolarHBondContact O-CB 3.18Å; I92-K96 PolarHBondContact O-N 3.49Å; G93-K96 PolarHBondContact O-N 3.37Å; D94-K96 VanDerWaalsContact C-N 3.26Å; D94-K96 PolarHBondContact O-N 2.93Å; K96-N99 CarbonylContact O-C 3.57Å; K96-P100 WeakPolarHBondContact CE-O 3.48Å; K96-P100 PolarHBondContact NZ-O 3.23Å; K96-P100 WeakPolarHBondContact O-CA 3.08Å; K96-M102 PolarHBondContact NZ-O 3.22Å; K96-I107 HydrophobicContact CB-CD1 4.12Å; K96-I107 HydrophobicContact CD-CD1 4.19Å; K96-I132 HydrophobicContact CD-CD1 4.4Å; K96-I132 HydrophobicContact CG-CD1 4.28Å; K96-I132 HydrophobicContact CG-CG1 4.23Å; K96-I132 HydrophobicContact CG-CG2 4.08Å; K96-V136 HydrophobicContact CB-CG1 4.27Å; K96-V136 HydrophobicContact CG-CG1 4.29Å
97R91.3Very high91.8Very high152 Ų15263.9 Ų63.957%0.57431%0.306SS*.Hα-helixtrans-73.3-44.9166.3-79.9-174.6-69.2-107.27.3111.5G93 D94G93-R97 WeakPolarHBondContact O-CB 3.42Å; G93-R97 VanDerWaalsContact O-CG 3.28Å; G93-R97 WeakPolarHBondContact O-CG 3.35Å; G93-R97 PolarHBondContact O-N 2.96Å; D94-R97 PolarHBondContact O-N 3.44Å; D94-R97 VanDerWaalsContact O-N 3.16Å; D94-R97 IonicContact OD1-CZ 2.63Å; D94-R97 IonicContact OD1-NE 3.91Å; D94-R97 IonicContact OD1-NH2 2.85Å; D94-R97 PolarHBondContact OD1-NH2 3.39Å; D94-R97 IonicContact OD2-NH2 3.25Å
98Q92.8Very high92.2Very high109 Ų10961.9 Ų61.951%0.50930%0.295SS..Hα-helixtrans-64.2-41.5178.3-70166.517.700111.6D94 Y95D94-Q98 WeakPolarHBondContact O-CB 3.35Å; D94-Q98 VanDerWaalsContact O-CG 3.23Å; D94-Q98 WeakPolarHBondContact O-CG 3.46Å; D94-Q98 PolarHBondContact O-N 2.79Å; Y95-Q98 PolarHBondContact O-N 3.23Å
99N88.7Confident92.4Very high66 Ų6664.2 Ų64.235%0.35331%0.307SS..  trans-135.290.6-177.3-68.5-83.7000110Y95 K96 T101 M102Y95-N99 PolarHBondContact O-N 3.06Å; K96-N99 CarbonylContact O-C 3.57Å; N99-T101 PolarHBondContact O-N 3.29Å; N99-M102 HydrophobicContact CB-CB 3.86Å; N99-M102 HydrophobicContact CB-CE 4.03Å; N99-M102 VanDerWaalsContact O-CB 3.25Å; N99-M102 WeakPolarHBondContact O-CB 3.37Å; N99-M102 PolarHBondContact O-N 3.12Å
100P90.1Very high92.6Very high98 Ų9866.4 Ų66.464%0.63631%0.311SS*.THydrogen-bonded Turntrans-66.2-18.6-178.926.6-34.8000113.2K96K96-P100 WeakPolarHBondContact CE-O 3.48Å; K96-P100 PolarHBondContact NZ-O 3.23Å; K96-P100 WeakPolarHBondContact O-CA 3.08Å
101T92.4Very high92.7Very high112 Ų11260.4 Ų60.469%0.68728%0.283SS*.THydrogen-bonded Turntrans-71.1-29170.4450000113.3N99 F103N99-T101 PolarHBondContact O-N 3.29Å; T101-F103 PolarHBondContact O-N 2.85Å
102M92.4Very high92.7Very high25 Ų2560 Ų6012%0.12328%0.284CS..  trans-59.2128.1-167.9-170.6-179.4-79.600113K96 N99 E106 I107K96-M102 PolarHBondContact NZ-O 3.22Å; N99-M102 HydrophobicContact CB-CB 3.86Å; N99-M102 HydrophobicContact CB-CE 4.03Å; N99-M102 VanDerWaalsContact O-CB 3.25Å; N99-M102 WeakPolarHBondContact O-CB 3.37Å; N99-M102 PolarHBondContact O-N 3.12Å; M102-E106 VanDerWaalsContact CA-OE2 3.24Å; M102-E106 WeakPolarHBondContact CA-OE2 3.28Å; M102-E106 HydrophobicContact CG-CB 3.66Å; M102-E106 VanDerWaalsContact CG-OE2 3.25Å; M102-E106 WeakPolarHBondContact CG-OE2 3.24Å; M102-E106 HydrophobicContact SD-CB 4.41Å; M102-I107 HydrophobicContact CG-CD1 4.48Å; M102-I107 HydrophobicContact CG-CG1 3.89Å; M102-I107 HydrophobicContact SD-CG1 3.66Å
103F94.5Very high92.8Very high126 Ų12664.3 Ų64.355%0.55332%0.32SS*.  trans-76.6157.9-177.9-66.3-76.5000112.4T101 W105 E106 I107T101-F103 PolarHBondContact O-N 2.85Å; F103-W105 HydrophobicContact CB-CG 4.34Å; F103-W105 AromaticContact CG-NE1 3.84Å; F103-W105 PolarHBondContact O-N 2.88Å; F103-E106 HydrophobicContact CB-CG 4.26Å; F103-E106 PolarHBondContact N-OE2 3.13Å; F103-E106 PolarHBondContact O-N 3.46Å; F103-I107 WeakPolarHBondContact O-CG1 3.5Å; F103-I107 PolarHBondContact O-N 3.01Å
104A94.1Very high92.7Very high8 Ų868 Ų687%0.06634%0.336CS..Hα-helixtrans-68.3-15.3-178.700000114.2R108 V125 I128 N129A104-R108 PolarHBondContact O-N 2.85Å; A104-V125 HydrophobicContact CB-CG1 3.72Å; A104-I128 HydrophobicContact CB-CB 4.19Å; A104-I128 HydrophobicContact CB-CG2 3.75Å; A104-I128 WeakPolarHBondContact O-CD1 3.44Å; A104-N129 WeakPolarHBondContact CB-ND2 3.49Å
105W94.8Very high92.4Very high134 Ų13468.7 Ų68.751%0.50835%0.354SS..Hα-helixtrans-82-43.5170.866.7-95000111.1F103 I107 R108 D109 V125F103-W105 HydrophobicContact CB-CG 4.34Å; F103-W105 AromaticContact CG-NE1 3.84Å; F103-W105 PolarHBondContact O-N 2.88Å; W105-I107 PolarHBondContact O-N 2.76Å; W105-R108 WeakPolarHBondContact O-CA 3.49Å; W105-R108 VanDerWaalsContact O-CB 3.28Å; W105-R108 WeakPolarHBondContact O-CB 3.48Å; W105-R108 PolarHBondContact O-N 3.4Å; W105-D109 VanDerWaalsContact O-CG 3.27Å; W105-D109 PolarHBondContact O-N 3.37Å; W105-V125 HydrophobicContact CB-CG2 4.34Å
106E95.2Very high92Very high61 Ų6169.6 Ų69.629%0.28536%0.36SS..Hα-helixtrans-57.7-39.5172.1-60.7169.5158.900111.4M102 F103 D109 R110M102-E106 VanDerWaalsContact CA-OE2 3.24Å; M102-E106 WeakPolarHBondContact CA-OE2 3.28Å; M102-E106 HydrophobicContact CG-CB 3.66Å; M102-E106 VanDerWaalsContact CG-OE2 3.25Å; M102-E106 WeakPolarHBondContact CG-OE2 3.24Å; M102-E106 HydrophobicContact SD-CB 4.41Å; F103-E106 HydrophobicContact CB-CG 4.26Å; F103-E106 PolarHBondContact N-OE2 3.13Å; F103-E106 PolarHBondContact O-N 3.46Å; E106-D109 PolarHBondContact O-N 3Å; E106-R110 VanDerWaalsContact O-CB 3.25Å; E106-R110 WeakPolarHBondContact O-CB 3.4Å; E106-R110 PolarHBondContact O-N 2.86Å
107I93.7Very high91.7Very high0 Ų067.9 Ų67.90%035%0.354CS..Hα-helixtrans-63.8-40.6173.5-71.5169.1000111.8I92 Y95 K96 M102 F103 W105 L111 I128 I132I92-I107 HydrophobicContact CB-CG2 4.36Å; I92-I107 HydrophobicContact CG1-CG2 3.85Å; I92-I107 HydrophobicContact CG2-CG2 4.28Å; Y95-I107 HydrophobicContact CD2-CG2 4.26Å; K96-I107 HydrophobicContact CB-CD1 4.12Å; K96-I107 HydrophobicContact CD-CD1 4.19Å; M102-I107 HydrophobicContact CG-CD1 4.48Å; M102-I107 HydrophobicContact CG-CG1 3.89Å; M102-I107 HydrophobicContact SD-CG1 3.66Å; F103-I107 WeakPolarHBondContact O-CG1 3.5Å; F103-I107 PolarHBondContact O-N 3.01Å; W105-I107 PolarHBondContact O-N 2.76Å; I107-L111 HydrophobicContact CG2-CD1 4.4Å; I107-L111 VanDerWaalsContact O-CG 3.26Å; I107-L111 WeakPolarHBondContact O-CG 3.39Å; I107-L111 PolarHBondContact O-N 3.09Å; I107-I128 HydrophobicContact CB-CG2 4.16Å; I107-I128 HydrophobicContact CG2-CD1 4.36Å; I107-I128 HydrophobicContact CG2-CG2 3.67Å; I107-I132 HydrophobicContact CD1-CD1 3.82Å
108R93.3Very high91.5Very high89 Ų8966.4 Ų66.434%0.33636%0.357SS..Hα-helixtrans-61.3-47.4174.8-175.9-161.562.6-176-7.4110.3A104 W105 R110 L111 L112 V122 I128A104-R108 PolarHBondContact O-N 2.85Å; W105-R108 WeakPolarHBondContact O-CA 3.49Å; W105-R108 VanDerWaalsContact O-CB 3.28Å; W105-R108 WeakPolarHBondContact O-CB 3.48Å; W105-R108 PolarHBondContact O-N 3.4Å; R108-R110 VanDerWaalsContact C-N 3.32Å; R108-R110 PolarHBondContact O-N 3.11Å; R108-L111 WeakPolarHBondContact O-CB 3.45Å; R108-L111 PolarHBondContact O-N 3.34Å; R108-L112 PolarHBondContact O-N 2.96Å; R108-L112 VanDerWaalsContact O-N 3.16Å; R108-V122 HydrophobicContact CG-CG1 4.24Å; R108-V122 HydrophobicContact CG-CG2 3.63Å; R108-I128 HydrophobicContact CB-CD1 3.64Å; R108-I128 HydrophobicContact CG-CD1 4.3Å
109D94Very high91.2Very high57 Ų5767.3 Ų67.331%0.30537%0.365SS..Hα-helixtrans-72.6-31.8-173.1-60-12000110.7W105 E106 L112 A113W105-D109 VanDerWaalsContact O-CG 3.27Å; W105-D109 PolarHBondContact O-N 3.37Å; E106-D109 PolarHBondContact O-N 3Å; D109-L112 PolarHBondContact O-N 2.8Å; D109-A113 WeakPolarHBondContact O-CB 3.4Å; D109-A113 PolarHBondContact O-N 3.26Å
110R93.4Very high91Very high80 Ų8072.1 Ų72.130%0.30239%0.391SS..Hα-helixtrans-72-30.5169.9-169172.5176168.4-2.6114Y95 E106 R108 L112 A113 E114Y95-R110 HydrophobicContact CD2-CB 4.22Å; Y95-R110 HydrophobicContact CD2-CG 4.1Å; Y95-R110 HydrophobicContact CE1-CG 4.3Å; Y95-R110 HydrophobicContact CE2-CB 3.98Å; Y95-R110 HydrophobicContact CE2-CG 3.72Å; E106-R110 VanDerWaalsContact O-CB 3.25Å; E106-R110 WeakPolarHBondContact O-CB 3.4Å; E106-R110 PolarHBondContact O-N 2.86Å; R108-R110 VanDerWaalsContact C-N 3.32Å; R108-R110 PolarHBondContact O-N 3.11Å; R110-L112 VanDerWaalsContact C-N 3.33Å; R110-A113 PolarHBondContact O-N 3.35Å; R110-E114 HydrophobicContact CG-CG 4.36Å; R110-E114 IonicContact CZ-OE1 3.99Å; R110-E114 VanDerWaalsContact CZ-OE1 3.25Å; R110-E114 IonicContact NE-OE1 3.65Å; R110-E114 PolarHBondContact NE-OE1 3.5Å; R110-E114 IonicContact NH2-OE1 2.68Å; R110-E114 PolarHBondContact NH2-OE1 2.98Å; R110-E114 WeakPolarHBondContact O-CB 3.22Å; R110-E114 PolarHBondContact O-N 3.44Å
111L92.3Very high90.7Very high0 Ų070.6 Ų70.60%038%0.38CS..Hα-helixtrans-65.6-36.8171.1-75.5168.3000111.8V88 K91 I92 Y95 I107 R108 V116 C117 V122 P123V88-L111 HydrophobicContact CG1-CD1 3.97Å; V88-L111 HydrophobicContact CG1-CD2 4.2Å; K91-L111 HydrophobicContact CB-CD2 3.92Å; I92-L111 HydrophobicContact CD1-CD1 4.14Å; I92-L111 HydrophobicContact CG1-CD1 3.85Å; 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 3.26Å; I107-L111 WeakPolarHBondContact O-CG 3.39Å; I107-L111 PolarHBondContact O-N 3.09Å; R108-L111 WeakPolarHBondContact O-CB 3.45Å; R108-L111 PolarHBondContact O-N 3.34Å; L111-V116 HydrophobicContact CD2-CB 3.83Å; L111-V116 HydrophobicContact CD2-CG1 3.63Å; L111-V116 HydrophobicContact CD2-CG2 4.46Å; L111-V116 PolarHBondContact O-N 3.21Å; L111-C117 PolarHBondContact O-N 3.07Å; L111-V122 HydrophobicContact CB-CG2 4.33Å; L111-P123 HydrophobicContact CD1-CG 4.13Å
112L92.2Very high90.5Very high51 Ų5166.7 Ų66.727%0.26736%0.356SS..Hα-helixtrans-68.5-48.7172.6-64.6166.8000110.6R108 D109 R110 E114 G115 V122R108-L112 PolarHBondContact O-N 2.96Å; R108-L112 VanDerWaalsContact O-N 3.16Å; D109-L112 PolarHBondContact O-N 2.8Å; R110-L112 VanDerWaalsContact C-N 3.33Å; L112-E114 PolarHBondContact O-N 3.32Å; L112-G115 PolarHBondContact O-N 3.47Å; L112-V122 HydrophobicContact CD2-CB 4.02Å; L112-V122 HydrophobicContact CD2-CG1 4.27Å; L112-V122 HydrophobicContact CD2-CG2 4.17Å; L112-V122 HydrophobicContact CG-CG2 4.14Å
113A92.8Very high90.3Very high90 Ų9066.3 Ų66.374%0.74436%0.355SS*.Hα-helixtrans-65.4-35-177.500000114.3D109 R110 G115D109-A113 WeakPolarHBondContact O-CB 3.4Å; D109-A113 PolarHBondContact O-N 3.26Å; R110-A113 PolarHBondContact O-N 3.35Å; A113-G115 VanDerWaalsContact C-N 3.26Å; A113-G115 PolarHBondContact O-N 3.44Å
114E90.1Very high90.1Very high79 Ų7963.5 Ų63.537%0.36935%0.351SS..THydrogen-bonded Turntrans-848.2173.5-69.5-169.5-150.900113.3K91 Y95 R110 L112 V116K91-E114 IonicContact NZ-OE2 3.57Å; K91-E114 PolarHBondContact NZ-OE2 3.44Å; Y95-E114 WeakPolarHBondContact CE1-OE1 3.37Å; Y95-E114 PolarHBondContact OH-OE1 3.03Å; Y95-E114 PolarHBondContact OH-OE2 2.88Å; R110-E114 HydrophobicContact CG-CG 4.36Å; R110-E114 IonicContact CZ-OE1 3.99Å; R110-E114 VanDerWaalsContact CZ-OE1 3.25Å; R110-E114 IonicContact NE-OE1 3.65Å; R110-E114 PolarHBondContact NE-OE1 3.5Å; R110-E114 IonicContact NH2-OE1 2.68Å; R110-E114 PolarHBondContact NH2-OE1 2.98Å; R110-E114 WeakPolarHBondContact O-CB 3.22Å; R110-E114 PolarHBondContact O-N 3.44Å; L112-E114 PolarHBondContact O-N 3.32Å; E114-V116 HydrophobicContact CB-CG2 3.88Å; E114-V116 PolarHBondContact O-N 3.47Å
115G86.4Confident90.1Very high62 Ų6265.4 Ų65.464%0.63936%0.362SS*.THydrogen-bonded Turntrans60.928.417900000113.8L112 A113L112-G115 PolarHBondContact O-N 3.47Å; A113-G115 VanDerWaalsContact C-N 3.26Å; A113-G115 PolarHBondContact O-N 3.44Å
116V85.8Confident90Very high20 Ų2063.5 Ų63.512%0.12137%0.369CS..SBendtrans-85.2-28.1-178.1-1780000111.1V88 K91 L111 E114V88-V116 HydrophobicContact CG2-CG1 4.21Å; K91-V116 HydrophobicContact CB-CG1 4.25Å; K91-V116 HydrophobicContact CD-CG2 4.43Å; K91-V116 HydrophobicContact CG-CG1 4.04Å; K91-V116 HydrophobicContact CG-CG2 4.21Å; L111-V116 HydrophobicContact CD2-CB 3.83Å; L111-V116 HydrophobicContact CD2-CG1 3.63Å; L111-V116 HydrophobicContact CD2-CG2 4.46Å; L111-V116 PolarHBondContact O-N 3.21Å; E114-V116 HydrophobicContact CB-CG2 3.88Å; E114-V116 PolarHBondContact O-N 3.47Å
117C85.6Confident89.7Confident7 Ų763.1 Ų63.15%0.04737%0.373CS..SBendtrans-137.3141.3172.6-59.90000110.1V88 L111 T121 V122V88-C117 VanDerWaalsContact CG2-SG 3.52Å; L111-C117 PolarHBondContact O-N 3.07Å; C117-T121 WeakPolarHBondContact CA-OG1 3.33Å; C117-T121 WeakPolarHBondContact CB-OG1 3.31Å; C117-V122 HydrophobicContact CB-CB 3.84Å; C117-V122 HydrophobicContact CB-CG2 3.95Å
118D87.2Confident89.6Confident120 Ų12063.1 Ų63.164%0.64237%0.373SS*.  trans-76.8164.6159.6-49.1-73.6000111.1D120 T121 V122D118-D120 VanDerWaalsContact C-N 3.31Å; D118-D120 PolarHBondContact O-N 3.1Å; D118-T121 HydrophobicContact CB-CG2 4.31Å; D118-T121 PolarHBondContact N-OG1 3.39Å; D118-T121 PolarHBondContact O-N 2.98Å; D118-T121 PolarHBondContact O-OG1 3.26Å; D118-V122 PolarHBondContact O-N 3.29Å
119N86.7Confident89.6Confident128 Ų12861.5 Ų61.568%0.68437%0.371SS*.THydrogen-bonded Turntrans-52.8-42.1-178.5-95.3-76.9000113.8T121 V122N119-T121 VanDerWaalsContact C-N 3.28Å; N119-T121 PolarHBondContact O-N 3.24Å; N119-V122 WeakPolarHBondContact O-CG1 3.49Å
120D83.3Confident89.4Confident168 Ų16867.9 Ų67.990%0.89839%0.391SS*.THydrogen-bonded Turntrans-77.1-12.6179.2-58.6-73.3000114D118D118-D120 VanDerWaalsContact C-N 3.31Å; D118-D120 PolarHBondContact O-N 3.1Å
121T85.1Confident89.2Confident66 Ų6665.4 Ų65.441%0.40538%0.384SS..THydrogen-bonded Turntrans-105.6-13.7-17872.50000113.3C117 D118 N119C117-T121 WeakPolarHBondContact CA-OG1 3.33Å; C117-T121 WeakPolarHBondContact CB-OG1 3.31Å; D118-T121 HydrophobicContact CB-CG2 4.31Å; D118-T121 PolarHBondContact N-OG1 3.39Å; D118-T121 PolarHBondContact O-N 2.98Å; D118-T121 PolarHBondContact O-OG1 3.26Å; N119-T121 VanDerWaalsContact C-N 3.28Å; N119-T121 PolarHBondContact O-N 3.24Å
122V87.4Confident89.1Confident30 Ų3065.8 Ų65.818%0.18239%0.386CS..SBendtrans-68.9127.9-174.279.20000110.8R108 L111 L112 C117 D118 N119R108-V122 HydrophobicContact CG-CG1 4.24Å; R108-V122 HydrophobicContact CG-CG2 3.63Å; L111-V122 HydrophobicContact CB-CG2 4.33Å; L112-V122 HydrophobicContact CD2-CB 4.02Å; L112-V122 HydrophobicContact CD2-CG1 4.27Å; L112-V122 HydrophobicContact CD2-CG2 4.17Å; L112-V122 HydrophobicContact CG-CG2 4.14Å; C117-V122 HydrophobicContact CB-CB 3.84Å; C117-V122 HydrophobicContact CB-CG2 3.95Å; D118-V122 PolarHBondContact O-N 3.29Å; N119-V122 WeakPolarHBondContact O-CG1 3.49Å
123P88.6Confident88.9Confident16 Ų1671.1 Ų71.110%0.10440%0.402CS..PPolyproline II helixtrans-67139.3179.925.4-33.3000111V88 I92 L111 I128V88-P123 HydrophobicContact CG1-CG 3.89Å; I92-P123 HydrophobicContact CD1-CG 4.09Å; L111-P123 HydrophobicContact CD1-CG 4.13Å; P123-I128 HydrophobicContact CB-CG1 4.11Å; P123-I128 HydrophobicContact CG-CD1 4.22Å; P123-I128 HydrophobicContact CG-CG1 3.81Å; P123-I128 WeakPolarHBondContact O-CD1 3.31Å
124S91.1Very high88.4Confident68 Ų6871 Ų7148%0.47639%0.392SS..PPolyproline II helixtrans-60.6152.8176.564.30000112.2S126 S127 I128S124-S126 PolarHBondContact O-N 3.2Å; S124-S126 VanDerWaalsContact O-N 3.1Å; S124-S127 CarbonylContact O-C 3.59Å; S124-S127 WeakPolarHBondContact O-CA 3.31Å; S124-S127 VanDerWaalsContact O-CB 3.28Å; S124-S127 WeakPolarHBondContact O-CB 3.43Å; S124-S127 PolarHBondContact O-N 3.23Å; S124-S127 PolarHBondContact OG-OG 2.94Å; S124-I128 PolarHBondContact O-N 2.68Å
125V92.7Very high87.8Confident48 Ų4874.1 Ų74.129%0.29140%0.404SS..Hα-helixtrans-54.3-34.8-177.7-177.80000112.3A104 W105 N129A104-V125 HydrophobicContact CB-CG1 3.72Å; W105-V125 HydrophobicContact CB-CG2 4.34Å; V125-N129 PolarHBondContact O-N 3.13Å; V125-N129 PolarHBondContact O-ND2 3.05Å
126S92.3Very high87Confident94 Ų9472.7 Ų72.766%0.65738%0.383SS*.Hα-helixtrans-68-36.7173.2-52.10000113.1S124 R130S124-S126 PolarHBondContact O-N 3.2Å; S124-S126 VanDerWaalsContact O-N 3.1Å; S126-R130 PolarHBondContact O-N 2.86Å
127S89.4Confident85.9Confident52 Ų5278 Ų7836%0.36441%0.407SS..Hα-helixtrans-69.6-41.5175.2-560000111.5S124 R130 I131S124-S127 CarbonylContact O-C 3.59Å; S124-S127 WeakPolarHBondContact O-CA 3.31Å; S124-S127 VanDerWaalsContact O-CB 3.28Å; S124-S127 WeakPolarHBondContact O-CB 3.43Å; S124-S127 PolarHBondContact O-N 3.23Å; S124-S127 PolarHBondContact OG-OG 2.94Å; S127-R130 WeakPolarHBondContact O-CB 3.3Å; S127-R130 PolarHBondContact O-N 2.89Å; S127-I131 WeakPolarHBondContact O-CG1 3.45Å; S127-I131 PolarHBondContact O-N 2.95Å
128I92Very high84.3Confident0 Ų082.4 Ų82.40%043%0.427CS..Hα-helixtrans-59.5-47.6173.2-65.4169.3000110.3I92 A104 I107 R108 P123 S124 R130 I131 I132I92-I128 HydrophobicContact CD1-CG1 4.04Å; I92-I128 HydrophobicContact CG2-CG2 4.11Å; A104-I128 HydrophobicContact CB-CB 4.19Å; A104-I128 HydrophobicContact CB-CG2 3.75Å; A104-I128 WeakPolarHBondContact O-CD1 3.44Å; I107-I128 HydrophobicContact CB-CG2 4.16Å; I107-I128 HydrophobicContact CG2-CD1 4.36Å; I107-I128 HydrophobicContact CG2-CG2 3.67Å; R108-I128 HydrophobicContact CB-CD1 3.64Å; R108-I128 HydrophobicContact CG-CD1 4.3Å; P123-I128 HydrophobicContact CB-CG1 4.11Å; P123-I128 HydrophobicContact CG-CD1 4.22Å; P123-I128 HydrophobicContact CG-CG1 3.81Å; P123-I128 WeakPolarHBondContact O-CD1 3.31Å; S124-I128 PolarHBondContact O-N 2.68Å; I128-R130 VanDerWaalsContact C-N 3.32Å; I128-R130 PolarHBondContact O-N 3.03Å; I128-I131 WeakPolarHBondContact O-CB 3.3Å; I128-I131 PolarHBondContact O-N 3.26Å; I128-I131 VanDerWaalsContact O-N 3.15Å; I128-I132 HydrophobicContact CG2-CD1 3.91Å; I128-I132 HydrophobicContact CG2-CG1 4.49Å; I128-I132 WeakPolarHBondContact O-CG1 3.43Å; I128-I132 PolarHBondContact O-N 3Å
129N93.5Very high82.5Confident56 Ų5681.4 Ų81.430%0.29943%0.427SS..Hα-helixtrans-58.6-39.8174.7-86.3-69.2000113.1A104 V125 I132 R133A104-N129 WeakPolarHBondContact CB-ND2 3.49Å; V125-N129 PolarHBondContact O-N 3.13Å; V125-N129 PolarHBondContact O-ND2 3.05Å; N129-I132 PolarHBondContact O-N 3.34Å; N129-R133 WeakPolarHBondContact O-CG 3.34Å; N129-R133 PolarHBondContact O-N 3.25Å; N129-R133 VanDerWaalsContact O-N 3.12Å
130R89.8Confident80.3Confident190 Ų19083.7 Ų83.772%0.71743%0.431SS*.Hα-helixtrans-64.1-43.8174.5-173.8177.7-178.9171.11.6111.4S126 S127 I128 R133 T134S126-R130 PolarHBondContact O-N 2.86Å; S127-R130 WeakPolarHBondContact O-CB 3.3Å; S127-R130 PolarHBondContact O-N 2.89Å; I128-R130 VanDerWaalsContact C-N 3.32Å; I128-R130 PolarHBondContact O-N 3.03Å; R130-R133 PolarHBondContact O-N 2.86Å; R130-T134 WeakPolarHBondContact O-CB 3.32Å; R130-T134 PolarHBondContact O-N 3.2Å; R130-T134 PolarHBondContact O-OG1 3.47Å; R130-T134 VanDerWaalsContact O-OG1 3.09Å
131I89.8Confident78.2Confident29 Ų2982 Ų8215%0.14942%0.422CS..Hα-helixtrans-60-47.8175.9-70.6162.8000110.6V89 I92 S127 I128 R133 T134 K135V89-I131 HydrophobicContact CG1-CG2 3.94Å; V89-I131 HydrophobicContact CG2-CD1 4.27Å; 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 3.45Å; S127-I131 PolarHBondContact O-N 2.95Å; I128-I131 WeakPolarHBondContact O-CB 3.3Å; I128-I131 PolarHBondContact O-N 3.26Å; I128-I131 VanDerWaalsContact O-N 3.15Å; I131-R133 PolarHBondContact O-N 3.34Å; I131-T134 PolarHBondContact O-N 3.47Å; I131-K135 HydrophobicContact CG2-CB 4.43Å; I131-K135 WeakPolarHBondContact O-CA 3.39Å; I131-K135 WeakPolarHBondContact O-CB 3.44Å; I131-K135 PolarHBondContact O-N 3.2Å
132I89.9Confident76Confident8 Ų885.5 Ų85.54%0.04144%0.437CS..Iπ-helixtrans-55-50.9177.8-68.4165.8000110.8I92 K96 I107 I128 N129 T134 V136 Q137I92-I132 HydrophobicContact CG2-CG1 3.88Å; K96-I132 HydrophobicContact CD-CD1 4.4Å; K96-I132 HydrophobicContact CG-CD1 4.28Å; K96-I132 HydrophobicContact CG-CG1 4.23Å; K96-I132 HydrophobicContact CG-CG2 4.08Å; I107-I132 HydrophobicContact CD1-CD1 3.82Å; I128-I132 HydrophobicContact CG2-CD1 3.91Å; I128-I132 HydrophobicContact CG2-CG1 4.49Å; I128-I132 WeakPolarHBondContact O-CG1 3.43Å; I128-I132 PolarHBondContact O-N 3Å; N129-I132 PolarHBondContact O-N 3.34Å; I132-T134 PolarHBondContact O-N 2.84Å; I132-V136 HydrophobicContact CG2-CB 4.48Å; I132-V136 WeakPolarHBondContact O-CA 3.48Å; I132-V136 WeakPolarHBondContact O-CB 3.38Å; I132-V136 PolarHBondContact O-N 3.1Å; I132-Q137 HydrophobicContact CG2-CG 4.43Å; I132-Q137 PolarHBondContact O-N 3.06Å
133R87.8Confident73.7Confident163 Ų16389.5 Ų89.562%0.61546%0.464SS*.Iπ-helixtrans-66.2-34.7-179.2-67173.4-169.9178.23.2113.5N129 R130 I131 Q138N129-R133 WeakPolarHBondContact O-CG 3.34Å; N129-R133 PolarHBondContact O-N 3.25Å; N129-R133 VanDerWaalsContact O-N 3.12Å; R130-R133 PolarHBondContact O-N 2.86Å; I131-R133 PolarHBondContact O-N 3.34Å; R133-Q138 WeakPolarHBondContact O-CG 3.29Å
134T82.3Confident71.4Confident86 Ų8697.2 Ų97.253%0.52850%0.501SS..Iπ-helixtrans-95.2-18.8-174.3-55.40000114.3R130 I131 I132R130-T134 WeakPolarHBondContact O-CB 3.32Å; R130-T134 PolarHBondContact O-N 3.2Å; R130-T134 PolarHBondContact O-OG1 3.47Å; R130-T134 VanDerWaalsContact O-OG1 3.09Å; I131-T134 PolarHBondContact O-N 3.47Å; I132-T134 PolarHBondContact O-N 2.84Å
135K76.4Confident68.9Low145 Ų14599.5 Ų99.563%0.6351%0.508SS*.Iπ-helixtrans-129.8-16.3-173.9-69.5-66.1-169.6175.30115.6V89 I131V89-K135 HydrophobicContact CG1-CB 4.45Å; V89-K135 HydrophobicContact CG1-CG 4.13Å; I131-K135 HydrophobicContact CG2-CB 4.43Å; I131-K135 WeakPolarHBondContact O-CA 3.39Å; I131-K135 WeakPolarHBondContact O-CB 3.44Å; I131-K135 PolarHBondContact O-N 3.2Å
136V70.4Confident66Low33 Ų33103.1 Ų103.120%0.254%0.535CS..Iπ-helixtrans-113.2-43-176.7-168.30000111.2K96 I132 Q138K96-V136 HydrophobicContact CB-CG1 4.27Å; K96-V136 HydrophobicContact CG-CG1 4.29Å; I132-V136 HydrophobicContact CG2-CB 4.48Å; I132-V136 WeakPolarHBondContact O-CA 3.48Å; I132-V136 WeakPolarHBondContact O-CB 3.38Å; I132-V136 PolarHBondContact O-N 3.1Å; V136-Q138 VanDerWaalsContact C-N 3.29Å
137Q62.7Low63.1Low131 Ų131103.9 Ų103.961%0.61254%0.539SS*.SBendtrans-86.43.5173.1-68.5179.8-49.500113.7I132 P139I132-Q137 HydrophobicContact CG2-CG 4.43Å; I132-Q137 PolarHBondContact O-N 3.06Å; Q137-P139 VanDerWaalsContact C-CD 3.45Å; Q137-P139 VanDerWaalsContact O-CD 3.31Å; Q137-P139 WeakPolarHBondContact O-CD 3.27Å
138Q52.4Low60.6Low99 Ų99108 Ų10846%0.46356%0.562SS.*  trans-115.978.6174.6-76.8-73.3-35.300109.2R133 V136 F140 N141R133-Q138 WeakPolarHBondContact O-CG 3.29Å; V136-Q138 VanDerWaalsContact C-N 3.29Å; Q138-F140 PolarHBondContact O-N 3.4Å; Q138-F140 VanDerWaalsContact O-N 3.12Å; Q138-N141 PolarHBondContact OE1-ND2 2.61Å
139P48.8Very low58Low99 Ų99112.4 Ų112.464%0.64360%0.598SS**  trans-65.7111.4170.628.6-32.9000108.6Q137Q137-P139 VanDerWaalsContact C-CD 3.45Å; Q137-P139 VanDerWaalsContact O-CD 3.31Å; Q137-P139 WeakPolarHBondContact O-CD 3.27Å
140F41.3Very low55.1Low177 Ų177115.7 Ų115.778%0.77662%0.62SS**  trans51.889.3169-45.9-78.1000115.5Q138 L142Q138-F140 PolarHBondContact O-N 3.4Å; Q138-F140 VanDerWaalsContact O-N 3.12Å; F140-L142 VanDerWaalsContact C-N 3.32Å; F140-L142 HydrophobicContact CB-CD1 4.09Å; F140-L142 WeakPolarHBondContact O-CD1 3.31Å; F140-L142 PolarHBondContact O-N 3.01Å
141N38.5Very low52.7Low132 Ų132116.6 Ų116.671%0.70663%0.629SS**  trans-66.8100.2148.3-82.2-129.4000106.9Q138Q138-N141 PolarHBondContact OE1-ND2 2.61Å
142L38.4Very low50.1Low139 Ų139119.6 Ų119.673%0.72865%0.653SS**  trans-59.3148.2170.4-81.474000109.4F140 M144F140-L142 VanDerWaalsContact C-N 3.32Å; F140-L142 HydrophobicContact CB-CD1 4.09Å; F140-L142 WeakPolarHBondContact O-CD1 3.31Å; F140-L142 PolarHBondContact O-N 3.01Å; L142-M144 PolarHBondContact O-N 3.25Å; L142-M144 VanDerWaalsContact O-N 3.1Å
143P39.3Very low47.5Very low114 Ų114126.9 Ų126.974%0.7469%0.691SS**  trans-61.4112.3162.8-15.730.1000108.8D145P143-D145 PolarHBondContact O-N 3.28Å
144M41.6Very low44.9Very low178 Ų178124.6 Ų124.688%0.87770%0.7SS**  trans-80.267.7176.5-173.166.6-174.900110L142L142-M144 PolarHBondContact O-N 3.25Å; L142-M144 VanDerWaalsContact O-N 3.1Å
145D37.5Very low43Very low117 Ų117126.3 Ų126.363%0.62671%0.713SS**  trans-127.3130.9174-78.9-67000109.3R72 P143R72-D145 IonicContact NH1-OD1 3.25Å; P143-D145 PolarHBondContact O-N 3.28Å
146S31.3Very low40.9Very low123 Ų123122.4 Ų122.486%0.8671%0.713SS**  trans71.783.9175-165.30000119.4
147C31.3Very low39.3Very low110 Ų110129.9 Ų129.974%0.74375%0.746SS**  -139.4139.8121.563.40000110.5
148V37.4Very low38.1Very low140 Ų140129.7 Ų129.785%0.84875%0.754SS**  trans-112.5140.6176-77.90000109.7
149A37.1Very low37.2Very low92 Ų92133.1 Ų133.176%0.7677%0.774SS**  trans64.5150.5-168.700000113.7
150T34.1Very low36.6Very low124 Ų124135.8 Ų135.876%0.76178%0.781SS**  cis-124.2158.512.5500000113.4
151K38.9Very low36.5Very low210 Ų210132.9 Ų132.991%0.91378%0.78SS**  trans-85.7109.4156.9-76.8179.7175.7178.90108.8
152S33.9Very low36.2Very low91 Ų91131.9 Ų131.964%0.63678%0.784SS**  trans179.2138.1146.149.50000113.1
153L36.3Very low35.9Very low162 Ų162131.3 Ų131.385%0.84879%0.792SS**  trans48.5111.4142-59.7167000119.1
154S33.8Very low35.5Very low115 Ų115130.5 Ų130.580%0.80479%0.794SS**  trans-61.3138.5143.3-1770000108.7
155P42.6Very low35.1Very low122 Ų122128.9 Ų128.979%0.79279%0.794SS**  -139.5149.7103.336.4-23.9000113.4
156G31.8Very low35Very low62 Ų62129.3 Ų129.364%0.63980%0.801SS**  trans-102.7153.1164.400000111.2
157H36Very low35.6Very low191 Ų191129 Ų12988%0.88480%0.796SS**  trans-154.8141.7155.4-129.1-84.6000112.1
158T37.3Very low36.2Very low127 Ų127129.3 Ų129.378%0.77980%0.797SS**  trans-85.9146.5177.4-50.70000110.8
159L33.8Very low35.8Very low170 Ų170131.7 Ų131.789%0.8980%0.799SS**  trans-83.3112.5179-66.4167.7000112.3
160I36.3Very low35.7Very low155 Ų155132.4 Ų132.480%0.79580%0.798SS**  trans-141.8134.7155.9-62.3-173.7000107.6
161P38.7Very low36.1Very low116 Ų116132.7 Ų132.775%0.75380%0.802SS**  trans-88.6139.9-172.833.5-35000115.3
162S33.2Very low36.1Very low112 Ų112130.6 Ų130.678%0.78380%0.796SS**  trans27.6120.5147.4-54.30000121.6
163S32.2Very low36Very low127 Ų127132.4 Ų132.489%0.88881%0.808SS**  -162.3154.3106.8-81.20000112.6
164A31.5Very low35.8Very low97 Ų97131.3 Ų131.380%0.80280%0.803SS**  trans-74.8148.9-162.200000116.7
165V31.8Very low36Very low143 Ų143131.3 Ų131.387%0.86780%0.803SS**  -178157.1116.7148.10000110
166T36.6Very low36.1Very low127 Ų127134.1 Ų134.178%0.77981%0.81SS**  trans-82.5157.4-174.741.10000115
167P42.7Very low36.5Very low117 Ų117134 Ų13476%0.7681%0.809SS**  trans-91.6172.6-174.243.9-41.2000112.2
168P44.8Very low36.9Very low116 Ų116129.2 Ų129.275%0.75380%0.797SS**  -147.6178.975.841.6-23.2000117.2
169E27.6Very low37.4Very low190 Ų190129.4 Ų129.489%0.88880%0.799SS**  trans84.8138.1152.9-145.3157.7126.800120.4
170S35.3Very low38.2Very low106 Ų106131.4 Ų131.474%0.74180%0.796SS**  trans-103.5161.5-179.6-50.70000110.8
171P43Very low39.3Very low131 Ų131127.2 Ų127.285%0.85178%0.781SS**  -136.4178.8116.636.7-26.2000114.5
172Q38.3Very low40.1Very low166 Ų166127.8 Ų127.878%0.77678%0.776SS**  trans-80.7160.1-171.3-59.3157.1-99.100113.7
173S31.7Very low41.5Very low128 Ų128128.6 Ų128.690%0.89577%0.771SS**  trans-158102.9149.4-78.30000110.9
174D32.7Very low42.8Very low139 Ų139126 Ų12674%0.74377%0.765SS**  trans-71.9146.7160.6-68.5-80.6000110.2
175S38.8Very low44Very low115 Ų115128.5 Ų128.580%0.80476%0.764SS**  trans154.779.8140.7-72.50000113.7
176L43.7Very low44.9Very low181 Ų181127.6 Ų127.695%0.94875%0.753SS**SBendtrans-145136.7149.3-85.5-170.5000112
177G41.2Very low45.5Very low60 Ų60124.9 Ų124.962%0.61975%0.751SS**  trans-36.6130.1-169.400000119T179G177-T179 PolarHBondContact O-N 3.49Å; G177-T179 PolarHBondContact O-OG1 2.87Å; G177-T179 VanDerWaalsContact O-OG1 3.12Å
178S43.6Very low45.6Very low90 Ų90125.2 Ų125.263%0.62975%0.745SS**  trans-7770.9165.1-171.70000110.9Y180S178-Y180 PolarHBondContact O-N 2.89Å
179T48.8Very low45.6Very low132 Ų132123.9 Ų123.981%0.8174%0.743SS**THydrogen-bonded Turntrans-78.127.9-167.6-35.60000114.4G177G177-T179 PolarHBondContact O-N 3.49Å; G177-T179 PolarHBondContact O-OG1 2.87Å; G177-T179 VanDerWaalsContact O-OG1 3.12Å
180Y49.7Very low46.2Very low211 Ų211122.7 Ų122.783%0.82774%0.738SS**THydrogen-bonded Turntrans-148.817.6178.959.2-92.5000115.1S178S178-Y180 PolarHBondContact O-N 2.89Å
181S59.4Low46.6Very low68 Ų68123.4 Ų123.448%0.47674%0.74SS.*  trans-81.6128.5172.7-172.10000112N183 G184S181-N183 PolarHBondContact O-N 2.71Å; S181-N183 VanDerWaalsContact O-N 3.1Å; S181-G184 PolarHBondContact O-N 3.43Å
182I56.2Low46.1Very low127 Ų127120.9 Ų120.965%0.65174%0.737SS**G310 helixtrans-54.4-31.9-176.1-83.2172.2000113.2G184 L185I182-G184 PolarHBondContact O-N 2.79Å; I182-L185 PolarHBondContact O-N 3.04Å
183N61.3Low45.7Very low130 Ų130117.8 Ų117.870%0.69573%0.734SS**G310 helixtrans-60.8-28.6-179.5-64.740.6000112.8S181 L185S181-N183 PolarHBondContact O-N 2.71Å; S181-N183 VanDerWaalsContact O-N 3.1Å; N183-L185 VanDerWaalsContact C-N 3.31Å; N183-L185 PolarHBondContact O-N 3.09Å
184G60.7Low45.8Very low72 Ų72116.9 Ų116.974%0.74272%0.719SS**G310 helixtrans-73.4-19.1176.600000114.4S181 I182S181-G184 PolarHBondContact O-N 3.43Å; I182-G184 PolarHBondContact O-N 2.79Å
185L55.8Low45.9Very low149 Ų149117.9 Ų117.978%0.7872%0.717SS**THydrogen-bonded Turntrans-90.7-16.7-176.7-96.5159.7000114.1I182 N183I182-L185 PolarHBondContact O-N 3.04Å; N183-L185 VanDerWaalsContact C-N 3.31Å; N183-L185 PolarHBondContact O-N 3.09Å
186L51.2Low45.8Very low125 Ų125123.2 Ų123.265%0.65472%0.719SS**SBendtrans-106.7-3-178.3-102.767.8000114.4I188L186-I188 HydrophobicContact CB-CG1 4.35Å; L186-I188 WeakPolarHBondContact O-CG1 3.47Å; L186-I188 PolarHBondContact O-N 3.49Å; L186-I188 VanDerWaalsContact O-N 3.12Å
187G49Very low45.4Very low70 Ų70124.3 Ų124.372%0.72272%0.717SS**  trans67.210.6171.200000116.3A189G187-A189 PolarHBondContact O-N 3.03Å; G187-A189 VanDerWaalsContact O-N 3.15Å
188I45.8Very low45.4Very low124 Ų124129.5 Ų129.564%0.63673%0.727SS**  trans-84.491.8-176.5-47179.4000110L186L186-I188 HydrophobicContact CB-CG1 4.35Å; L186-I188 WeakPolarHBondContact O-CG1 3.47Å; L186-I188 PolarHBondContact O-N 3.49Å; L186-I188 VanDerWaalsContact O-N 3.12Å
189A44.2Very low45Very low87 Ų87132.3 Ų132.372%0.71974%0.735SS**  trans-65.6142.9165.800000110.9G187G187-A189 PolarHBondContact O-N 3.03Å; G187-A189 VanDerWaalsContact O-N 3.15Å
190Q39.1Very low44.3Very low166 Ų166132.4 Ų132.478%0.77673%0.73SS**  trans-132.2143.5168.1-77.7-63.5-65.700109.5
191P45.6Very low43.9Very low121 Ų121126.9 Ų126.979%0.78672%0.722SS**  trans-99.4155.4-162.437.7-36.1000115.1
192G31Very low42.9Very low77 Ų77130.5 Ų130.579%0.79474%0.737SS**  trans117.6148.9163.500000114.9
193S31.5Very low42.3Very low102 Ų102133 Ų13371%0.71375%0.746SS**  cis-161.3172.5-12.566.30000112.2
194D33.1Very low40.9Very low109 Ų109133.5 Ų133.558%0.58375%0.748SS**  trans75.9107.1154.5-71.3-75.6000123.4
195K33.5Very low39.6Very low160 Ų160134.8 Ų134.870%0.69675%0.746SS**  72.497.1119.8-71.3179179.8116.70121.7
196R37.6Very low38.6Very low226 Ų226134 Ų13485%0.85375%0.751SS**  159.3165.589.9-95.1166.7-59.6168.84.3115.3
197K35.1Very low38Very low204 Ų204138.9 Ų138.989%0.88776%0.761SS**  trans71.1132178.4-70.7-166.9167.6-164.40114.5
198M41.2Very low37.4Very low169 Ų169144.2 Ų144.283%0.83377%0.772SS**  cis93.9139.629.3-165.781.8172.500112.1
199D34.4Very low36.9Very low150 Ų150143.8 Ų143.880%0.80278%0.78SS**  trans69.6150.3-166.6-84.3-145.5000115.8
200D36.1Very low36.6Very low133 Ų133147.9 Ų147.971%0.71179%0.788SS**  cis-167.5173.3-36.1-170.9-118.2000108.9
201S39.3Very low36.2Very low95 Ų95144.9 Ų144.966%0.66478%0.777SS**  trans75.4118.7155.8-77.60000119.7
202D39.3Very low35.8Very low145 Ų145145 Ų14578%0.77578%0.781SS**  trans-70.1156.3166-43.5-105.8000113
203Q43.4Very low36Very low179 Ų179149 Ų14984%0.83678%0.78SS**  -173.7142.5111.1-104.5154.988.400116.2
204D33.1Very low35.9Very low141 Ų141149.2 Ų149.275%0.75478%0.781SS**  trans20.7124.2145.7-79.2-89.7000123.9
205S33.3Very low36Very low99 Ų99149.2 Ų149.269%0.69279%0.789SS**  53118.6113.4-1620000119.9
206C34.9Very low36.1Very low132 Ų132147.5 Ų147.589%0.89280%0.798SS**  -153.8140.5117.4-124.30000112.2
207R37.2Very low35.9Very low227 Ų227142.8 Ų142.886%0.85780%0.799SS**  trans-92142.7169.5-71176.1165-173.3-4.8110.1
208L36.8Very low35.9Very low182 Ų182136.3 Ų136.395%0.95379%0.79SS**  trans-141.1133.1141.5-78.9-176.3000109.9
209S36.3Very low36.5Very low115 Ų115133.8 Ų133.880%0.80479%0.786SS**  trans-98.3147.7168.8-55.80000109.6
210I36.3Very low36.5Very low174 Ų174137.8 Ų137.889%0.89279%0.79SS**  trans-139140.1143.9-164.461.2000109
211D31.8Very low36.8Very low102 Ų102140.7 Ų140.755%0.54580%0.797SS.*  trans-107.9153.5-169.7-159.8-64000110.1Q213D211-Q213 VanDerWaalsContact CG-NE2 3.32Å; D211-Q213 WeakPolarHBondContact OD1-CG 3.38Å; D211-Q213 PolarHBondContact OD1-N 3.32Å; D211-Q213 VanDerWaalsContact OD1-N 3.15Å; D211-Q213 PolarHBondContact OD1-NE2 2.93Å; D211-Q213 PolarHBondContact OD2-NE2 3.32Å; D211-Q213 VanDerWaalsContact OD2-NE2 3.13Å
212S36.2Very low36.7Very low125 Ų125144.7 Ų144.787%0.87480%0.804SS**  trans-16168170-78.20000110.6
213Q36.9Very low36.4Very low161 Ų161144.6 Ų144.675%0.75280%0.803SS**  trans-68137.4170.7-75.9159.572.500113.7D211D211-Q213 VanDerWaalsContact CG-NE2 3.32Å; D211-Q213 WeakPolarHBondContact OD1-CG 3.38Å; D211-Q213 PolarHBondContact OD1-N 3.32Å; D211-Q213 VanDerWaalsContact OD1-N 3.15Å; D211-Q213 PolarHBondContact OD1-NE2 2.93Å; D211-Q213 PolarHBondContact OD2-NE2 3.32Å; D211-Q213 VanDerWaalsContact OD2-NE2 3.13Å
214S28.6Very low35.8Very low106 Ų106145.9 Ų145.974%0.74180%0.8SS**  163.5109127.4-177.10000108.6
215S35.2Very low35.8Very low109 Ų109144.6 Ų144.676%0.76280%0.798SS**  cis93.394.736.683.50000114.8
216S36.4Very low35.6Very low124 Ų124146.8 Ų146.887%0.86780%0.802SS**  trans-137.1133.1149.958.20000109.8
217S32.8Very low35.5Very low127 Ų127143.8 Ų143.889%0.88879%0.786SS**  trans-91.7170.2179.752.90000110.7
218G35.3Very low35Very low68 Ų68142.6 Ų142.670%0.70179%0.788SS**  cis-174.1-1669.800000112.7
219P52.4Low34.6Very low115 Ų115138.3 Ų138.375%0.74777%0.773SS**  trans-119.3158.8-152.141-33.7000119
220R34.4Very low34.2Very low235 Ų235140.1 Ų140.189%0.88777%0.768SS**  trans-169.2142.2150.3-111152.1-78.7-170.8-4.3108
221K43Very low33.9Very low194 Ų194139.3 Ų139.384%0.84376%0.761SS**  cis75.995.732.8-72.5-160.6174.9-173.80116.7
222H37.1Very low34Very low179 Ų179141.7 Ų141.783%0.82977%0.768SS**  trans71.9132.4135.7-106.5-102.8000123.1
223L32.3Very low34Very low142 Ų142142.8 Ų142.874%0.74376%0.764SS**  trans104.9132.3132.6-160.368.8000121.5
224R31.4Very low33.7Very low206 Ų206143.6 Ų143.678%0.77777%0.767SS**  trans65.1127.5162.6-85.5178.6163.9161.8-5119.4
225T32.3Very low34.2Very low115 Ų115143.7 Ų143.771%0.70677%0.765SS**  77.2139.161.5-42.70000114.3
226D29.5Very low33.9Very low145 Ų145146.7 Ų146.778%0.77577%0.772SS**  trans80.3149.7170.8-56.8-56.1000119.4
227A33.5Very low33.5Very low68 Ų68150 Ų15056%0.56277%0.774SS**  cis-170.6144.3-34.100000111.8
228F27.3Very low33.5Very low203 Ų203150.1 Ų150.189%0.8977%0.773SS**  trans61.2160168.6-64.1-78000117.9
229S28.2Very low33.8Very low92 Ų92151.8 Ų151.864%0.64377%0.772SS**  cis-152.2138.68-145.40000115.7
230Q27.7Very low32.6Very low152 Ų152156.6 Ų156.671%0.7178%0.781SS**  trans56.6143.3136.3-140.5171.9-55.200124.4
231H29.6Very low32.6Very low157 Ų157153.1 Ų153.173%0.72778%0.775SS**  trans72.7147176.4-56.3-81.2000115.7
232H34.5Very low31.9Very low152 Ų152154 Ų15470%0.70477%0.773SS**  cis-150.414021.4-163.9-137.8000113.5
233L35.8Very low31.4Very low149 Ų149153.4 Ų153.478%0.7877%0.771SS**  trans62.9118.9164.8-61.5175.5000121.6
234E30Very low31.3Very low177 Ų177154.7 Ų154.783%0.82777%0.773SS**  trans-127.4147.9158.9-136.8-100.7115.900107.2L236E234-L236 PolarHBondContact O-N 2.92Å
235P38.8Very low31.3Very low108 Ų108154 Ų15470%0.70177%0.771SS**  trans-90.7105.3-162.9-7.828000115.6
236L30.1Very low31.9Very low172 Ų172154.6 Ų154.690%0.90178%0.777SS**  trans38.391.2139.7-57.2176.7000119.5E234E234-L236 PolarHBondContact O-N 2.92Å
237E28.1Very low32Very low193 Ų193154.5 Ų154.590%0.90277%0.772SS**  trans-131.3109.6144.3-84.8-136.1111.100111.5
238C31.7Very low31.9Very low130 Ų130156 Ų15688%0.87878%0.784SS**  trans-177.6163.3169.2-106.90000109.8
239P42.8Very low32.2Very low103 Ų103156.5 Ų156.567%0.66978%0.782SS**  cis-132170-940.3-26.1000114
240F26.8Very low32.3Very low217 Ų217157.1 Ų157.195%0.95279%0.792SS**  trans-151110.7134.4-133.2-84.9000110.8
241E33.6Very low32.4Very low162 Ų162155.3 Ų155.376%0.75780%0.796SS**  trans-142.3135.1-178-171.2-141.4120.500109
242R29.6Very low32.9Very low211 Ų211153.7 Ų153.780%0.79680%0.8SS**  trans168.6142.9162-100.1-168.4177.272.51.5109
243Q26.6Very low32.6Very low167 Ų167151 Ų15178%0.7880%0.798SS**  cis-140.1166.4-0.2-63.6-151.9-110.900112.5
244H29.6Very low32.5Very low170 Ų170151.8 Ų151.879%0.78780%0.797SS**  trans-92.3149164.9-98.9-122.8000112.7
245Y31.5Very low32.5Very low192 Ų192149 Ų14975%0.75379%0.793SS**  trans38.1144.1138.4-95.6-99.7000121.8
246P43.8Very low32.1Very low127 Ų127152.2 Ų152.283%0.82580%0.795SS**  -140.8167.686.739.6-26000116.5
247E32.8Very low32.1Very low142 Ų142147.2 Ų147.266%0.66479%0.786SS**  trans-92.9150.8173.8-177.8-177140.200110.8Y249E247-Y249 WeakPolarHBondContact OE1-CE2 3.13Å
248A31.6Very low32.2Very low99 Ų99143.8 Ų143.882%0.81877%0.77SS**  trans-146.2130.5175.700000112.7
249Y33.7Very low32.2Very low215 Ų215146.3 Ų146.384%0.84377%0.769SS**  trans-84.8139.5175.5-84.1-118000111.9E247E247-Y249 WeakPolarHBondContact OE1-CE2 3.13Å
250A28.9Very low31.6Very low104 Ų104144.9 Ų144.986%0.8677%0.773SS**  trans-156.9132.5150.800000111.5
251S30.3Very low31.7Very low114 Ų114142.6 Ų142.680%0.79777%0.77SS**  trans-136.2147162.3176.20000107.9
252P40.9Very low31.6Very low123 Ų123145.2 Ų145.280%0.79977%0.774SS**  trans-137.1180131.132.8-17.4000113.9
253S27.9Very low32.5Very low95 Ų95140.8 Ų140.866%0.66477%0.773SS**  trans-99-164.8-161.6500000115
254H33.5Very low33.1Very low166 Ų166140.1 Ų140.177%0.76977%0.774SS**  trans97.6134.7170.9-64.2-94.4000116.9
255T30.6Very low33.9Very low120 Ų120137.9 Ų137.974%0.73677%0.774SS**  cis-159145.7-132.60000114.3
256K30.8Very low34.3Very low174 Ų174136.3 Ų136.376%0.75778%0.778SS**  trans21.7135.8139.1-164.6-171.8-179.6-147.30122.5E258K256-E258 WeakPolarHBondContact CE-OE2 3.4Å; K256-E258 IonicContact NZ-OE2 2.69Å; K256-E258 PolarHBondContact NZ-OE2 2.99Å
257G30.2Very low34Very low68 Ų68139 Ų13970%0.70178%0.784SS**  trans161.285.4155.400000113.4
258E30.3Very low33.9Very low121 Ų121138.4 Ų138.457%0.56579%0.786SS**  68106.691.5-61.8-152.675.100115.6K256K256-E258 WeakPolarHBondContact CE-OE2 3.4Å; K256-E258 IonicContact NZ-OE2 2.69Å; K256-E258 PolarHBondContact NZ-OE2 2.99Å
259Q30.4Very low33.8Very low182 Ų182139 Ų13985%0.8578%0.784SS**  82.7129.796.8-67.6-153.77400115.5
260G29.9Very low33.6Very low73 Ų73133.8 Ų133.875%0.75378%0.775SS**  trans155.867.3164.800000122.5
261L30.3Very low34.1Very low170 Ų170135.8 Ų135.889%0.8977%0.77SS**  trans52161.2137-61.3168.1000124.9
262Y31.6Very low34.4Very low216 Ų216136.8 Ų136.885%0.84777%0.767SS**  trans-76.1-175.3-178-59.6-87.4000114.6
263P46.6Very low34.3Very low118 Ų118137.9 Ų137.977%0.76677%0.766SS**  cis-139.8-1715.941.6-20.4000117.8
264L40.5Very low34.6Very low154 Ų154136.6 Ų136.681%0.80677%0.767SS**  trans-70.8169.5166.5-69171.4000113.2
265P45.9Very low34.6Very low123 Ų123137.4 Ų137.480%0.79977%0.769SS**  -133.1169.2117.838.6-31.4000114.9
266L40.7Very low34.8Very low159 Ų159136.7 Ų136.783%0.83278%0.775SS**  trans-93.4163.8179.7-54.498.3000113
267L35.8Very low34.9Very low182 Ų182133.9 Ų133.995%0.95377%0.772SS**  trans-138158.1145.8-97.5175.8000110.6
268N31.9Very low35Very low131 Ų131138.3 Ų138.370%0.70178%0.779SS**  trans-146.9132.6-163.5167.176.3000112.1
269S28.7Very low35.1Very low112 Ų112138.4 Ų138.478%0.78379%0.788SS**  trans-159.7174.2166.9-70.10000110.2
270T29.8Very low36.4Very low104 Ų104134.8 Ų134.864%0.63878%0.78SS**  -164.3173.1-93.530.20000110.5
271L38.5Very low36.7Very low146 Ų146136.1 Ų136.176%0.76478%0.778SS**  trans74.5127.6-179.8-76.863.9000114.8
272D36.9Very low36.7Very low136 Ų136135.1 Ų135.173%0.72777%0.774SS**  cis83.7148.248122.3-81.3000114.1
273D39Very low36.9Very low146 Ų146130.8 Ų130.878%0.78177%0.77SS**  cis-160-174.9-32.9-155.7-82.1000107.5
274G33.9Very low37.2Very low67 Ų67130 Ų13069%0.69176%0.764SS**  trans135.263.817200000115
275K35.3Very low37.2Very low184 Ų184130.4 Ų130.480%0.877%0.767SS**  69.4100.484-172.5-168.5173-177.70115.8
276A34.2Very low36.5Very low105 Ų105128 Ų12887%0.86877%0.765SS**  trans-152.193.6149.400000111.3
277T32.7Very low36.4Very low115 Ų115130.9 Ų130.971%0.70676%0.764SS**  trans-75.2155.8168.50.80000109.9
278L32.5Very low36.3Very low160 Ų160128.9 Ų128.984%0.83876%0.755SS**  -156.8171.459.1-78.3168.2000113.3
279T32.8Very low36.4Very low124 Ų124130 Ų13076%0.76176%0.76SS**  trans-115-156.2-179.457.70000109.4
280P57Low36.6Very low105 Ų105129.1 Ų129.168%0.68275%0.754SS**  cis-139.9-167.4-11.539.7-19.2000116.1
281S35Very low36.6Very low101 Ų101129.8 Ų129.871%0.70676%0.758SS**  trans87.7147.3149.381.20000118.9
282N30.9Very low36.3Very low150 Ų150130.3 Ų130.380%0.80276%0.756SS**  cis-142.8168.88-125.7-17.8000114
283T36.7Very low36Very low125 Ų125130.7 Ų130.777%0.76775%0.754SS**  trans-104.2-159.5-177.254.90000110.3
284P52Low35.4Very low100 Ų100127.8 Ų127.865%0.64974%0.741SS**  cis-149.5-179.68.646.2-25.5000120.5
285L41Very low35.2Very low164 Ų164134.6 Ų134.686%0.85975%0.747SS**  trans65.2140.4155.5-71.5154.2000119.1
286G31.8Very low35.5Very low73 Ų73131.9 Ų131.975%0.75375%0.748SS**  cis175.8-170.92.100000110.3
287R38.4Very low35.5Very low218 Ų218133.3 Ų133.382%0.82375%0.746SS**  cis-172.1115.7-9.1176.4-172.1-180-163.51111.7
288N33Very low35.4Very low140 Ų140134.5 Ų134.575%0.74975%0.753SS**  trans70.5162.5161.6-80-105.2000118.7
289L34.3Very low35.7Very low154 Ų154131.4 Ų131.481%0.80675%0.75SS**  cis-144.2164.816.9-168.657000114.6
290S32.4Very low35.8Very low95 Ų95129.2 Ų129.266%0.66475%0.752SS**  trans-31.2161.5171.1-139.10000118.6
291T30.3Very low34.7Very low117 Ų117135.1 Ų135.172%0.71876%0.761SS**  -171.5149.553.8-36.60000115.6
292H32.5Very low34.5Very low157 Ų157138.8 Ų138.873%0.72777%0.767SS**  trans70.7118.4150.8-103.1-133.5000125.5
293Q29.9Very low34.9Very low145 Ų145140 Ų14068%0.67877%0.77SS**  66.1104.1126.6-76.8-141.641.200126.1
294T27.8Very low35.1Very low84 Ų84140 Ų14052%0.51577%0.77SS.*  88.9140.3114.3-35.40000122.4
295Y29.3Very low34.4Very low210 Ų210137.9 Ų137.982%0.82477%0.766SS**  trans78.2122.5170-52.5-66.8000119.3
296P40.8Very low34.4Very low127 Ų127136.5 Ų136.583%0.82577%0.767SS**  trans-99145.3171.136.8-31.1000113
297V34Very low35Very low136 Ų136139.4 Ų139.482%0.82477%0.77SS**  trans-129.9115.5170.5173.80000111
298V32.1Very low35.1Very low139 Ų139136.8 Ų136.884%0.84277%0.772SS**  trans31.1106.3151.7-171.60000118
299A37.8Very low35.5Very low95 Ų95136.2 Ų136.279%0.78578%0.775SS**PPolyproline II helixtrans-91161.1158.500000111.8
300G34.8Very low35.9Very low78 Ų78132.2 Ų132.280%0.80477%0.772SS**PPolyproline II helixtrans-48.8146.7-165.100000118.8E302G300-E302 PolarHBondContact O-N 3.21Å
301R34.8Very low36.1Very low230 Ų230137.9 Ų137.987%0.86878%0.78SS**PPolyproline II helixtrans-70.3116.6163.5-75.1-179.8170.3-176-3.1110.2
302E30.9Very low37.3Very low177 Ų177137 Ų13783%0.82778%0.776SS**PPolyproline II helixtrans-76.5146.6145.2-63.8-149.2144.800109.2G300G300-E302 PolarHBondContact O-N 3.21Å
303M37.6Very low38.2Very low176 Ų176135.5 Ų135.587%0.86778%0.781SS**  trans-130.268.6-179.8-158.8156.2-175.700110.1
304V42.4Very low38.8Very low125 Ų125136.9 Ų136.976%0.75879%0.787SS**PPolyproline II helixtrans-69.3138.8174.4-174.50000109.4
305G36.8Very low39.7Very low55 Ų55140.4 Ų140.457%0.56780%0.801SS**PPolyproline II helixtrans-67.4152.2-176.800000113.7T307G305-T307 PolarHBondContact O-N 2.89Å
306P40.8Very low40.1Very low135 Ų135136.3 Ų136.388%0.87780%0.8SS**PPolyproline II helixtrans-76.8117-175.730.6-34.3000112.2
307T43.3Very low39.9Very low135 Ų135136.8 Ų136.883%0.82880%0.8SS**  trans-129.8110.5161.9-46.20000108.1G305G305-T307 PolarHBondContact O-N 2.89Å
308L42.4Very low40.2Very low163 Ų163135.9 Ų135.985%0.85380%0.8SS**  trans-73.8139.4177.4-80164.5000110.6
309P39.7Very low40.6Very low127 Ų127132.7 Ų132.783%0.82580%0.796SS**SBendtrans-76.4129.7176.831.1-33.1000110.6
310G42.4Very low40.5Very low71 Ų71137.3 Ų137.373%0.73280%0.801SS**  trans158.3-7.1170.800000119.1
311Y38.2Very low40.5Very low214 Ų214136.3 Ų136.384%0.83979%0.791SS**  trans-131141.8-179.2-98.4-99.5000113.2
312P55Low40.4Very low98 Ų98130.6 Ų130.664%0.63679%0.786SS**PPolyproline II helixtrans-74.7151.817432-35000111.7
313P51Low40.7Very low126 Ų126132.7 Ų132.782%0.81879%0.788SS**PPolyproline II helixtrans-73.5129.5-17729.1-34.5000112.4
314H42.9Very low40.6Very low174 Ų174129 Ų12981%0.80679%0.786SS**PPolyproline II helixtrans-72.2133.3172.9-78.3-104.3000111.7
315I45.7Very low40.1Very low158 Ų158128.8 Ų128.881%0.8179%0.789SS**PPolyproline II helixtrans-81.3123.9172.6-57.1170.8000108.6T317I315-T317 PolarHBondContact O-N 3.11Å; I315-T317 VanDerWaalsContact O-N 3.11Å
316P38.4Very low40.1Very low124 Ų124132.2 Ų132.281%0.80581%0.805SS**  trans-74.6101.6173.629.8-32.5000110
317T36.6Very low39.9Very low136 Ų136130.8 Ų130.883%0.83480%0.804SS**  trans-70143.8170.9-170.30000111.1I315I315-T317 PolarHBondContact O-N 3.11Å; I315-T317 VanDerWaalsContact O-N 3.11Å
318S40.3Very low39.6Very low118 Ų118132 Ų13283%0.82580%0.804SS**  trans-89.8117.4-175.656.50000112.4
319G40.5Very low39.2Very low72 Ų72129.3 Ų129.374%0.74281%0.805SS**  trans119.3110.3154.900000116
320Q35.1Very low39Very low191 Ų191127.1 Ų127.189%0.89381%0.805SS**  -156.5147.8111.3-81.7-141.7-2700108.8
321G36.4Very low38.6Very low58 Ų58133 Ų13360%0.59882%0.817SS**  trans-103.2110.9174.100000110.3Y323G321-Y323 WeakPolarHBondContact O-CE1 3.49Å
322S32.6Very low38.4Very low110 Ų110130.2 Ų130.277%0.76982%0.821SS**  trans-102.6103.9176.6-61.90000110.5A324S322-A324 PolarHBondContact O-N 2.89Å
323Y36.9Very low37.4Very low221 Ų221130.2 Ų130.287%0.86783%0.829SS**  trans-73.9116.8174.815.4-96.6000110.3G321G321-Y323 WeakPolarHBondContact O-CE1 3.49Å
324A35.6Very low36.4Very low99 Ų99127.7 Ų127.782%0.81883%0.826SS**  trans-94.7108.3170.700000109.9S322S322-A324 PolarHBondContact O-N 2.89Å
325S32.2Very low36.1Very low119 Ų119125.5 Ų125.583%0.83283%0.83SS**  trans-158.6109.2168.6-75.80000109.7
326S36.1Very low35.5Very low128 Ų128127.2 Ų127.290%0.89584%0.835SS**  trans-76.5130.7175.4-53.80000110.5
327A36.2Very low35.2Very low104 Ų104132 Ų13286%0.8684%0.838SS**  trans-114.2144.316900000109.8
328I37.4Very low35.1Very low162 Ų162129.8 Ų129.883%0.83183%0.829SS**  trans-121.5133.7-169.8-67.2171.7000110.2
329A34.3Very low34.8Very low105 Ų105127.3 Ų127.387%0.86882%0.822SS**  trans63.6152.716700000118.3
330G34.6Very low34.4Very low81 Ų81131.5 Ų131.584%0.83583%0.827SS**  trans141.571.2174.400000114.4
331M34.1Very low34.3Very low196 Ų196127.3 Ų127.397%0.96683%0.825SS**  trans-91.3123.8166.8-63.2-179.1-171.100110.1
332V34.8Very low34.1Very low155 Ų155135 Ų13594%0.93984%0.838SS**  trans-156.3153.2155.6108.90000109.2
333A34.2Very low34.2Very low97 Ų97133.3 Ų133.380%0.80284%0.837SS**  trans-120.7149.9-168.900000113.3
334G30.1Very low34.1Very low73 Ų73131.8 Ų131.875%0.75384%0.838SS**  trans84.2111.9151.900000117.8
335S35.2Very low34.1Very low128 Ų128133.5 Ų133.590%0.89584%0.838SS**  -170.4150.6124.3-79.80000110.2
336E33.4Very low34.7Very low194 Ų194133.6 Ų133.691%0.90784%0.836SS**  trans-94.8134.3-172.6-60.4158.9111.200111.5
337Y32.2Very low34.5Very low224 Ų224138 Ų13888%0.87884%0.835SS**  trans-151.9150.2154.6-158.9-103.5000112.1
338S35.9Very low34.6Very low90 Ų90138.6 Ų138.663%0.62983%0.832SS**  trans-93.9139.4-167.8600000114.4
339G32.8Very low34.4Very low66 Ų66135.7 Ų135.768%0.6883%0.826SS**  trans69.8110.1135.600000119.1
340N32.2Very low34.8Very low161 Ų161142.3 Ų142.386%0.86183%0.83SS**  -160.5137.9113.6-105.6-14.7000111.5
341A32.4Very low35.3Very low103 Ų103143.2 Ų143.285%0.85182%0.824SS**  trans-89.8112.6-178.900000111.1
342Y32.1Very low35.4Very low220 Ų220141 Ų14186%0.86381%0.811SS**  trans-89.5100.1164.6-93.1-89.5000109.6
343G35Very low35.8Very low73 Ų73138 Ų13875%0.75380%0.804SS**PPolyproline II helixtrans-70.5133172.900000111.5
344H36Very low36.3Very low190 Ų190144.8 Ų144.888%0.8881%0.808SS**PPolyproline II helixtrans-68.7131.2175.4-74.4-100.3000111.4
345T35.7Very low37.2Very low134 Ų134151.2 Ų151.282%0.82281%0.81SS**PPolyproline II helixtrans-73136.7163.538.10000110.4
346P44Very low37.3Very low121 Ų121155.1 Ų155.179%0.78681%0.811SS**PPolyproline II helixtrans-73.4159.517830.1-34.6000112.5S348P346-S348 PolarHBondContact O-N 3.02Å
347Y31.6Very low37.9Very low222 Ų222151.2 Ų151.287%0.87180%0.803SS**PPolyproline II helixtrans-67.9117.9-172.1-166.5-97.3000112.9S349Y347-S349 PolarHBondContact O-N 3.36Å
348S37.9Very low38Very low116 Ų116147.7 Ų147.781%0.81180%0.799SS**PPolyproline II helixtrans-74.8119.8173-78.20000111.9P346P346-S348 PolarHBondContact O-N 3.02Å
349S34.8Very low38Very low101 Ų101149.3 Ų149.371%0.70681%0.811SS**PPolyproline II helixtrans-65.1143.6178.2-60.90000113.5Y347 S351Y347-S349 PolarHBondContact O-N 3.36Å; S349-S351 PolarHBondContact O-N 3.43Å
350Y42.5Very low38.2Very low243 Ų243151.4 Ų151.495%0.95382%0.815SS**SBendtrans-89.188.9-172.9-172.7-90.9000111.7
351S44.2Very low38.6Very low101 Ų101151.6 Ų151.671%0.70682%0.815SS**  trans-147.1-24.8178.959.50000118.5S349S349-S351 PolarHBondContact O-N 3.43Å
352E36.7Very low38.9Very low148 Ų148155.2 Ų155.269%0.69282%0.819SS**  trans-121.232.1-159.9-154128.2167.200116.6W354E352-W354 PolarHBondContact O-N 2.69Å
353A42.5Very low38.8Very low94 Ų94150.7 Ų150.778%0.77782%0.82SS**  trans-77.924.9-177.500000115.8
354W44.7Very low38.6Very low239 Ų239152.3 Ų152.391%0.90582%0.819SS**  trans-130.758.6-174.3-71.5111.6000114.2E352E352-W354 PolarHBondContact O-N 2.69Å
355R50.1Low39Very low208 Ų208148.8 Ų148.879%0.78581%0.813SS**SBendtrans-132.3138.4155.7-71.9-169.6175165.63.5110.3P357R355-P357 WeakPolarHBondContact O-CD 3Å
356F36.3Very low38.9Very low209 Ų209153.5 Ų153.592%0.91782%0.818SS**  trans-72.2124-175.4-61.6-90.8000111.5
357P47.1Very low38.4Very low113 Ų113158.1 Ų158.173%0.73482%0.821SS**  trans-90.6104.1168.533-27.7000110.3R355R355-P357 WeakPolarHBondContact O-CD 3Å
358N33.6Very low38.3Very low149 Ų149157.6 Ų157.680%0.79782%0.819SS**  trans163117.5142.7-89.7-39.1000111.9
359S36.7Very low38Very low125 Ų125156.4 Ų156.487%0.87481%0.811SS**SBendtrans-170.552.1158.3-81.10000112.1
360S35.5Very low38Very low110 Ų110156.8 Ų156.877%0.76981%0.813SS**  trans-16649.6178.550.50000115.9
361L41.9Very low37.7Very low164 Ų164151.3 Ų151.386%0.85981%0.805SS**  trans-140.778.2166.7-77.4-178.7000112.7
362L38.8Very low37.4Very low179 Ų179151.3 Ų151.394%0.93781%0.805SS**  trans-171.196.2140.4-130.675.9000111.9
363S28.5Very low37.7Very low126 Ų126156.1 Ų156.188%0.88182%0.817SS**  trans177.9155.4131.1-162.30000110.2
364S31.3Very low37.9Very low106 Ų106157.5 Ų157.574%0.74182%0.818SS**  trans-87.3160.9-173.4-92.90000113.9
365P45.2Very low37.6Very low117 Ų117151.9 Ų151.976%0.7682%0.816SS**  trans-77.5146.8-169.931.5-36.6000113.4
366Y31.8Very low37.3Very low233 Ų233146.2 Ų146.291%0.91481%0.813SS**  trans-128.1151.1160.9-99-91000110.7
367Y33.6Very low38.2Very low217 Ų217142 Ų14285%0.85181%0.807SS**  trans-55.4137.4-174.5-103-126.2000113.2
368Y29.9Very low38.3Very low211 Ų211142.2 Ų142.283%0.82781%0.808SS**  trans-86134.2155.8-163.3-96.1000108.6
369S31.2Very low38.8Very low91 Ų91142.2 Ų142.264%0.63681%0.814SS**  trans-150143.5175.5-73.40000110.3
370S36.8Very low39Very low109 Ų109142.7 Ų142.776%0.76281%0.812SS**  trans-85.3135.2-158-510000114.6
371T34.9Very low39.1Very low128 Ų128142 Ų14279%0.78581%0.813SS**  trans-138.995.3166.4-60.90000106.3
372S38.4Very low39.2Very low101 Ų101141.2 Ų141.271%0.70682%0.815SS**  66129.577.878.60000114.2
373R43.8Very low39.4Very low249 Ų249137 Ų13794%0.9481%0.806SS**PPolyproline II helixtrans-72142.6178.1-98.6-177.6167.4-160.1-1.2111.2
374P45.6Very low40.3Very low123 Ų123141.2 Ų141.280%0.79981%0.809SS**PPolyproline II helixtrans-102.5146.1148.434.5-28.2000111.7
375S37.6Very low41.2Very low122 Ų122141.6 Ų141.685%0.85380%0.802SS**PPolyproline II helixtrans-103.5167.8170.349.10000111.7
376A44.6Very low41.2Very low89 Ų89144.3 Ų144.374%0.73680%0.804SS**PPolyproline II helixtrans-49.4148.3-16900000117.2
377P54.8Low42.1Very low120 Ų120144.6 Ų144.678%0.77982%0.82SS**PPolyproline II helixtrans-84.3154.7162.936-33.6000111.8
378P49.5Very low42.5Very low118 Ų118141 Ų14177%0.76682%0.819SS**PPolyproline II helixtrans-96.7154.6174.537.2-33.7000113.3
379T44.8Very low43.2Very low149 Ų149137.3 Ų137.391%0.91482%0.819SS**  trans-141142.1157.832.50000109.4
380T39.6Very low43.9Very low135 Ų135139.8 Ų139.883%0.82883%0.829SS**  trans-124.8143.3-173.147.30000112.9
381A39.2Very low44.3Very low96 Ų96141.6 Ų141.679%0.79383%0.833SS**  trans62.6105.715800000118.9
382T43.4Very low44.9Very low147 Ų147142.5 Ų142.590%0.90284%0.836SS**  -13014511638.70000108.7
383A43.2Very low45.3Very low91 Ų91145.3 Ų145.375%0.75284%0.844SS**  trans-96.6154.2173.100000110
384F47.4Very low45.4Very low214 Ų214137.9 Ų137.994%0.93984%0.837SS**  trans-140.7131.2152.3-115.8-82.3000109.2
385D49.5Very low45.4Very low113 Ų113139 Ų13960%0.60484%0.84SS**  trans-92145.5171.9-164.8-81.3000108.5
386H46.7Very low46Very low174 Ų174140.4 Ų140.481%0.80684%0.839SS**  trans164.4160.1131.5-79.7-26.6000112.1
387L49.7Very low46.2Very low239 Ų239145.1 Ų145.1100%1.25185%0.849SS**  trans-78.50-174.9-73.268.9000112.7

Retrieved 387 of 387 residues in 56.6 ms (Link to these results)