X6R4W8_HUMAN Loading...

Zinc finger protein 207

AlphaFold DB (A0A2I3THL7), UniProt , Accession X6R4W8, Species HUMAN (Homo sapiens, Human), Gene ZNF207, Length 497 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
1M37.6Very low38.8Very low237 Ų23798.5 Ų98.5100%1.16762%0.615SS**  0109.70-69.3166.7171.100107.7
2A36.3Very low39.3Very low72 Ų7294.8 Ų94.860%0.59559%0.587SS**  trans-154.8-30.6-176.700000115.1S4A2-S4 PolarHBondContact O-N 3.48Å
3M34.5Very low39.9Very low143 Ų14389.3 Ų89.370%0.70455%0.553SS**Hα-helixtrans-71.3-25.8-174.2-64.9-71.997.200114.7S5 L6M3-S5 PolarHBondContact O-N 3.23Å; M3-L6 PolarHBondContact O-N 1.87Å
4S37.2Very low40.2Very low110 Ų11083.8 Ų83.877%0.76952%0.518SS*.Hα-helixtrans-66.3-21.1-175.2-48.70000114.3A2A2-S4 PolarHBondContact O-N 3.48Å
5S41.7Very low40.8Very low71 Ų7180.4 Ų80.450%0.49750%0.495SS..Hα-helixtrans-76.5-37176.5-175.20000111.9M3 G7 C8 L9M3-S5 PolarHBondContact O-N 3.23Å; S5-G7 VanDerWaalsContact C-N 3.33Å; S5-G7 PolarHBondContact O-N 3.04Å; S5-C8 PolarHBondContact O-N 3.08Å; S5-C8 VanDerWaalsContact O-N 3.14Å; S5-L9 WeakPolarHBondContact O-CG 3.4Å; S5-L9 PolarHBondContact O-N 2.47Å
6L42.1Very low41.8Very low100 Ų10075.6 Ų75.652%0.52447%0.465SS..Hα-helixtrans-63.3-37.6176.4-91.468.5000112M3 C8 L9 C10M3-L6 PolarHBondContact O-N 1.87Å; L6-C8 VanDerWaalsContact C-N 3.28Å; L6-C8 PolarHBondContact O-N 2.9Å; L6-L9 PolarHBondContact O-N 3.33Å; L6-C10 WeakPolarHBondContact O-CB 3.1Å; L6-C10 PolarHBondContact O-N 3.23Å; L6-C10 PolarHBondContact O-SG 2.95Å
7G34.9Very low42.7Very low50 Ų5072.7 Ų72.752%0.51544%0.444SS..Hα-helixtrans-61.9-35.2174.300000113.4S5 A11S5-G7 VanDerWaalsContact C-N 3.33Å; S5-G7 PolarHBondContact O-N 3.04Å; G7-A11 PolarHBondContact O-N 3.12Å
8C37.8Very low43.6Very low74 Ų7469.3 Ų69.350%0.542%0.422SS..Hα-helixtrans-78.5-38177.5-163.50000112S5 L6 C10 A11 L12S5-C8 PolarHBondContact O-N 3.08Å; S5-C8 VanDerWaalsContact O-N 3.14Å; L6-C8 VanDerWaalsContact C-N 3.28Å; L6-C8 PolarHBondContact O-N 2.9Å; C8-C10 VanDerWaalsContact C-N 3.35Å; C8-A11 PolarHBondContact O-N 3.02Å; C8-L12 PolarHBondContact O-N 3.39Å
9L41.4Very low44.4Very low92 Ų9267.6 Ų67.648%0.48241%0.413SS..Hα-helixtrans-59.7-44.4169.6-71.9163.8000110.9S5 L6 A11 L12 T13S5-L9 WeakPolarHBondContact O-CG 3.4Å; S5-L9 PolarHBondContact O-N 2.47Å; L6-L9 PolarHBondContact O-N 3.33Å; L9-A11 VanDerWaalsContact C-N 3.35Å; L9-A11 PolarHBondContact O-N 3.39Å; L9-L12 CarbonylContact O-C 3.52Å; L9-L12 PolarHBondContact O-N 3.1Å; L9-T13 WeakPolarHBondContact O-CB 3.36Å; L9-T13 WeakPolarHBondContact O-CG2 2.82Å; L9-T13 PolarHBondContact O-N 2.94Å; L9-T13 PolarHBondContact O-OG1 3.23Å
10C42.5Very low45.4Very low72 Ų7269.1 Ų69.149%0.48642%0.418SS..Hα-helixtrans-57.2-44.1173.3-75.10000112.6L6 C8 L12 T13L6-C10 WeakPolarHBondContact O-CB 3.1Å; L6-C10 PolarHBondContact O-N 3.23Å; L6-C10 PolarHBondContact O-SG 2.95Å; C8-C10 VanDerWaalsContact C-N 3.35Å; C10-L12 PolarHBondContact O-N 3.01Å; C10-T13 VanDerWaalsContact C-OG1 3.32Å; C10-T13 VanDerWaalsContact CA-OG1 3.26Å; C10-T13 WeakPolarHBondContact CA-OG1 3.45Å; C10-T13 PolarHBondContact O-N 3.48Å; C10-T13 PolarHBondContact O-OG1 3.46Å
11A41.4Very low46.5Very low63 Ų6371.3 Ų71.352%0.52142%0.419SS..Hα-helixtrans-65.2-36.517700000113.2G7 C8 L9 T13 M85G7-A11 PolarHBondContact O-N 3.12Å; C8-A11 PolarHBondContact O-N 3.02Å; L9-A11 VanDerWaalsContact C-N 3.35Å; L9-A11 PolarHBondContact O-N 3.39Å; A11-T13 VanDerWaalsContact C-N 3.31Å; A11-M85 WeakPolarHBondContact O-CE 3.32Å
12L44Very low47.7Very low53 Ų5364.6 Ų64.628%0.27739%0.388SS..Hα-helixtrans-80-8.8174.8-69.7168.2000113.3C8 L9 C10 V14C8-L12 PolarHBondContact O-N 3.39Å; L9-L12 CarbonylContact O-C 3.52Å; L9-L12 PolarHBondContact O-N 3.1Å; C10-L12 PolarHBondContact O-N 3.01Å; L12-V14 PolarHBondContact O-N 3.33Å
13T46.8Very low49.2Very low24 Ų2463 Ų6315%0.14737%0.367CS..  trans-76.247-174.848.20000115.7L9 C10 A11 R96 L100L9-T13 WeakPolarHBondContact O-CB 3.36Å; L9-T13 WeakPolarHBondContact O-CG2 2.82Å; L9-T13 PolarHBondContact O-N 2.94Å; L9-T13 PolarHBondContact O-OG1 3.23Å; C10-T13 VanDerWaalsContact C-OG1 3.32Å; C10-T13 VanDerWaalsContact CA-OG1 3.26Å; C10-T13 WeakPolarHBondContact CA-OG1 3.45Å; C10-T13 PolarHBondContact O-N 3.48Å; C10-T13 PolarHBondContact O-OG1 3.46Å; A11-T13 VanDerWaalsContact C-N 3.31Å; T13-R96 VanDerWaalsContact CB-NH2 3.26Å; T13-R96 VanDerWaalsContact O-CZ 3.32Å; T13-R96 PolarHBondContact O-NH1 3.23Å; T13-R96 PolarHBondContact O-NH2 3.44Å; T13-L100 HydrophobicContact CG2-CD1 3.75Å
14V45.3Very low50.9Low12 Ų1263.1 Ų63.17%0.07337%0.371CS..  trans-109.666.2150.1-167.20000111.2L12 I16 L29 M85 I88L12-V14 PolarHBondContact O-N 3.33Å; V14-I16 WeakPolarHBondContact O-CG1 3.12Å; V14-I16 PolarHBondContact O-N 3.19Å; V14-L29 HydrophobicContact CB-CD2 3.82Å; V14-L29 HydrophobicContact CG1-CD1 4.36Å; V14-L29 HydrophobicContact CG1-CD2 3.78Å; V14-L29 HydrophobicContact CG2-CD2 4.5Å; V14-M85 HydrophobicContact CG2-CB 4.01Å; V14-M85 HydrophobicContact CG2-CE 3.97Å; V14-M85 HydrophobicContact CG2-CG 3.67Å; V14-I88 HydrophobicContact CB-CD1 4.42Å; V14-I88 HydrophobicContact CG1-CD1 3.83Å; V14-I88 HydrophobicContact CG2-CD1 3.72Å
15L48.1Very low52.5Low33 Ų3362.2 Ų62.217%0.17336%0.358CS..  trans-66.877.3147.3-71.2108.4000107.9R17 N20 D22L15-R17 PolarHBondContact O-N 2.89Å; L15-N20 HydrophobicContact CD2-CB 4.26Å; L15-D22 WeakPolarHBondContact CD1-OD1 3.43Å; L15-D22 VanDerWaalsContact CG-OD1 3.31Å; L15-D22 WeakPolarHBondContact CG-OD1 3.2Å
16I56.8Low54.2Low3 Ų363.3 Ų63.32%0.01536%0.355CS..  trans18.899.2143-38174.1000113.7V14 Y18 C19 N20 R21 F23 L29V14-I16 WeakPolarHBondContact O-CG1 3.12Å; V14-I16 PolarHBondContact O-N 3.19Å; I16-Y18 PolarHBondContact O-N 3.47Å; I16-C19 HydrophobicContact CB-CB 4.15Å; I16-C19 HydrophobicContact CD1-CB 4.22Å; I16-C19 HydrophobicContact CG2-CB 3.76Å; I16-C19 PolarHBondContact O-N 2.91Å; I16-N20 PolarHBondContact O-N 2.91Å; I16-N20 VanDerWaalsContact O-N 3.12Å; I16-R21 HydrophobicContact CD1-CB 3.87Å; I16-R21 VanDerWaalsContact CD1-O 3.28Å; I16-R21 WeakPolarHBondContact CD1-O 3.41Å; I16-R21 WeakPolarHBondContact CG1-O 3.43Å; I16-F23 HydrophobicContact CD1-CD2 3.93Å; I16-F23 HydrophobicContact CD1-CE2 3.66Å; I16-L29 HydrophobicContact CD1-CD1 4.12Å; I16-L29 HydrophobicContact CG1-CD1 3.7Å
17R57.4Low56.1Low27 Ų2766.4 Ų66.410%0.10236%0.364CS..THydrogen-bonded Turntrans-43.8-21.7168.8-179168158.1109.7-9.2114.4L15 R75 D77 D92L15-R17 PolarHBondContact O-N 2.89Å; R17-R75 HydrophobicContact CG-CB 3.7Å; R17-R75 HydrophobicContact CG-CG 4.45Å; R17-R75 PolarHBondContact NE-O 3.29Å; R17-R75 VanDerWaalsContact NE-O 3.15Å; R17-D77 IonicContact CZ-OD2 3.68Å; R17-D77 IonicContact NH2-OD2 3.78Å; R17-D77 PolarHBondContact NH2-OD2 3.47Å; R17-D92 WeakPolarHBondContact CD-OD2 3.49Å; R17-D92 IonicContact CZ-OD2 3.27Å; R17-D92 IonicContact NE-OD2 2.88Å; R17-D92 IonicContact NH1-OD1 2.87Å; R17-D92 PolarHBondContact NH1-OD1 2.96Å; R17-D92 IonicContact NH1-OD2 3.33Å; R17-D92 PolarHBondContact NH1-OD2 3.32Å
18Y58.3Low58.3Low11 Ų1167.7 Ų67.74%0.04336%0.359CS..THydrogen-bonded Turntrans-105-15.3178.9-50.7-55000116.3I16 H37 F38 V68 A71 R75 D77I16-Y18 PolarHBondContact O-N 3.47Å; Y18-H37 VanDerWaalsContact CB-CE1 3.47Å; Y18-H37 WeakPolarHBondContact CB-CE1 3.33Å; Y18-H37 WeakPolarHBondContact CB-ND1 3.06Å; Y18-H37 HydrophobicContact CD2-CB 4.32Å; Y18-F38 HydrophobicContact CE2-CE1 4.14Å; Y18-F38 HydrophobicContact CE2-CZ 4.14Å; Y18-V68 HydrophobicContact CD1-CB 4.37Å; Y18-V68 HydrophobicContact CD1-CG1 4.35Å; Y18-V68 HydrophobicContact CE1-CB 4Å; Y18-V68 HydrophobicContact CE1-CG1 4.29Å; Y18-V68 HydrophobicContact CE1-CG2 4.08Å; Y18-V68 HydrophobicContact CE2-CG1 4.48Å; Y18-V68 HydrophobicContact CG-CG1 4.45Å; Y18-A71 HydrophobicContact CD1-CB 3.47Å; Y18-A71 VanDerWaalsContact CD1-CB 3.47Å; Y18-A71 HydrophobicContact CE1-CB 4.08Å; Y18-A71 HydrophobicContact CG-CB 4.38Å; Y18-R75 WeakPolarHBondContact CE1-O 3.35Å; Y18-D77 PolarHBondContact OH-O 3.49Å
19C60.5Low60.4Low37 Ų3764.6 Ų64.625%0.2534%0.337CS..THydrogen-bonded Turntrans-149.3-7.3-166.1-151.60000118.1I16 R21 H37I16-C19 HydrophobicContact CB-CB 4.15Å; I16-C19 HydrophobicContact CD1-CB 4.22Å; I16-C19 HydrophobicContact CG2-CB 3.76Å; I16-C19 PolarHBondContact O-N 2.91Å; C19-R21 PolarHBondContact O-N 2.97Å; C19-H37 VanDerWaalsContact CB-NE2 3.34Å; C19-H37 WeakPolarHBondContact CB-NE2 3.34Å
20N63.8Low62.3Low98 Ų9861.1 Ų61.152%0.52432%0.319SS..  trans43.761.3-179.4-71.5-21.8000114.4L15 I16L15-N20 HydrophobicContact CD2-CB 4.26Å; I16-N20 PolarHBondContact O-N 2.91Å; I16-N20 VanDerWaalsContact O-N 3.12Å
21R68.9Low64.2Low116 Ų11664.3 Ų64.344%0.43833%0.326SS..  trans-132.1142.3168.6-67168.553.6115.74.3110.2I16 C19 F23I16-R21 HydrophobicContact CD1-CB 3.87Å; I16-R21 VanDerWaalsContact CD1-O 3.28Å; I16-R21 WeakPolarHBondContact CD1-O 3.41Å; I16-R21 WeakPolarHBondContact CG1-O 3.43Å; C19-R21 PolarHBondContact O-N 2.97Å; R21-F23 HydrophobicContact CB-CE2 4.16Å
22D62.7Low66.2Low95 Ų9562.3 Ų62.351%0.50831%0.306SS..  trans-83.6152.2172.4-51.1-91.5000111.2L15L15-D22 WeakPolarHBondContact CD1-OD1 3.43Å; L15-D22 VanDerWaalsContact CG-OD1 3.31Å; L15-D22 WeakPolarHBondContact CG-OD1 3.2Å
23F67.4Low67.9Low38 Ų3860.3 Ų60.317%0.16730%0.295CS..  trans-151128176-75.5-68.3000110I16 R21 D25 I28 L29 H32I16-F23 HydrophobicContact CD1-CD2 3.93Å; I16-F23 HydrophobicContact CD1-CE2 3.66Å; R21-F23 HydrophobicContact CB-CE2 4.16Å; F23-D25 VanDerWaalsContact C-N 3.35Å; F23-D25 PolarHBondContact O-N 3.24Å; F23-I28 HydrophobicContact CD1-CB 4.36Å; F23-I28 HydrophobicContact CD1-CG2 3.48Å; F23-I28 VanDerWaalsContact CD1-CG2 3.48Å; F23-I28 HydrophobicContact CE1-CG2 3.76Å; F23-I28 HydrophobicContact CG-CG2 4.31Å; F23-L29 HydrophobicContact CB-CB 4.16Å; F23-L29 HydrophobicContact CD2-CB 4.39Å; F23-L29 HydrophobicContact CD2-CD1 4.16Å; F23-H32 HydrophobicContact CD2-CB 4.45Å; F23-H32 HydrophobicContact CE2-CB 3.62Å; F23-H32 AromaticContact CE2-CD2 3.68Å; F23-H32 AromaticContact CE2-CG 3.39Å; F23-H32 AromaticContact CE2-ND1 3.7Å; F23-H32 HydrophobicContact CZ-CB 3.66Å; F23-H32 AromaticContact CZ-CG 3.51Å; F23-H32 AromaticContact CZ-ND1 3.42Å; F23-H32 WeakPolarHBondContact CZ-ND1 3.14Å
24D69.2Low69.6Low146 Ų14661.3 Ų61.378%0.78130%0.298SS*.SBendtrans-73.5-24.1-175.9-49.5-94.1000114
25D72.7Confident71.2Confident91 Ų9162.6 Ų62.649%0.48731%0.31SS..  trans-114.5127.7178.5-86.7-63.8000111F23 K27 I28 L29F23-D25 VanDerWaalsContact C-N 3.35Å; F23-D25 PolarHBondContact O-N 3.24Å; D25-K27 PolarHBondContact O-N 3.49Å; D25-I28 HydrophobicContact CB-CB 4Å; D25-I28 HydrophobicContact CB-CD1 3.82Å; D25-I28 HydrophobicContact CB-CG1 3.66Å; D25-I28 PolarHBondContact O-N 3.18Å; D25-L29 PolarHBondContact O-N 3.48Å
26E76.8Confident72.7Confident95 Ų9566 Ų6644%0.44432%0.323SS..Hα-helixtrans-52.8-37.7169.3-173-164.7-155.800111.8I28 L29 I30E26-I28 VanDerWaalsContact C-N 3.31Å; E26-I28 PolarHBondContact O-N 2.99Å; E26-L29 WeakPolarHBondContact O-CB 3.5Å; E26-L29 PolarHBondContact O-N 3.14Å; E26-I30 HydrophobicContact CG-CD1 3.86Å; E26-I30 HydrophobicContact CG-CG1 4.42Å; E26-I30 WeakPolarHBondContact O-CB 3.28Å; E26-I30 WeakPolarHBondContact O-CG1 3.35Å; E26-I30 PolarHBondContact O-N 3.07Å
27K81.1Confident73.8Confident164 Ų16465.9 Ų65.971%0.71332%0.323SS*.Hα-helixtrans-64.8-34.6178-67.1175.5-178.2171.80112.3D25 Q31D25-K27 PolarHBondContact O-N 3.49Å; K27-Q31 VanDerWaalsContact O-CB 3.29Å; K27-Q31 WeakPolarHBondContact O-CB 3.42Å; K27-Q31 PolarHBondContact O-N 3.18Å
28I82.6Confident75.1Confident78 Ų7864.8 Ų64.840%0.432%0.318SS..Hα-helixtrans-76-39176-60178.7000110F23 D25 E26 Q31 H32F23-I28 HydrophobicContact CD1-CB 4.36Å; F23-I28 HydrophobicContact CD1-CG2 3.48Å; F23-I28 VanDerWaalsContact CD1-CG2 3.48Å; F23-I28 HydrophobicContact CE1-CG2 3.76Å; F23-I28 HydrophobicContact CG-CG2 4.31Å; D25-I28 HydrophobicContact CB-CB 4Å; D25-I28 HydrophobicContact CB-CD1 3.82Å; D25-I28 HydrophobicContact CB-CG1 3.66Å; D25-I28 PolarHBondContact O-N 3.18Å; E26-I28 VanDerWaalsContact C-N 3.31Å; E26-I28 PolarHBondContact O-N 2.99Å; I28-Q31 PolarHBondContact O-N 3.48Å; I28-H32 WeakPolarHBondContact O-CB 3.47Å; I28-H32 PolarHBondContact O-N 3.29Å
29L81.1Confident76.5Confident8 Ų867.1 Ų67.14%0.04233%0.329CS..Hα-helixtrans-57-51.5171169.564.9000111.8V14 I16 F23 D25 E26 Q31 H32 Q33V14-L29 HydrophobicContact CB-CD2 3.82Å; V14-L29 HydrophobicContact CG1-CD1 4.36Å; V14-L29 HydrophobicContact CG1-CD2 3.78Å; V14-L29 HydrophobicContact CG2-CD2 4.5Å; I16-L29 HydrophobicContact CD1-CD1 4.12Å; I16-L29 HydrophobicContact CG1-CD1 3.7Å; F23-L29 HydrophobicContact CB-CB 4.16Å; F23-L29 HydrophobicContact CD2-CB 4.39Å; F23-L29 HydrophobicContact CD2-CD1 4.16Å; D25-L29 PolarHBondContact O-N 3.48Å; E26-L29 WeakPolarHBondContact O-CB 3.5Å; E26-L29 PolarHBondContact O-N 3.14Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 3.45Å; L29-H32 WeakPolarHBondContact O-CB 3.42Å; L29-H32 PolarHBondContact O-N 2.95Å; L29-H32 VanDerWaalsContact O-N 3.14Å; L29-Q33 HydrophobicContact CD1-CG 4.28Å; L29-Q33 WeakPolarHBondContact O-CG 3.42Å; L29-Q33 PolarHBondContact O-N 3.2Å
30I81Confident77.9Confident20 Ų2065.3 Ų65.310%0.10332%0.317CS..Hα-helixtrans-61.9-42.4177.1-68.6166.1000110.4E26 H32 Q33 K34 Y83E26-I30 HydrophobicContact CG-CD1 3.86Å; E26-I30 HydrophobicContact CG-CG1 4.42Å; E26-I30 WeakPolarHBondContact O-CB 3.28Å; E26-I30 WeakPolarHBondContact O-CG1 3.35Å; E26-I30 PolarHBondContact O-N 3.07Å; I30-H32 VanDerWaalsContact C-N 3.31Å; I30-H32 PolarHBondContact O-N 3.02Å; I30-Q33 PolarHBondContact O-N 3.37Å; I30-K34 HydrophobicContact CG2-CD 3.81Å; I30-K34 HydrophobicContact CG2-CG 4.44Å; I30-K34 WeakPolarHBondContact O-CB 3.35Å; I30-K34 WeakPolarHBondContact O-CD 3Å; I30-K34 WeakPolarHBondContact O-CG 3.07Å; I30-K34 PolarHBondContact O-N 3.1Å; I30-Y83 HydrophobicContact CD1-CE1 3.89Å; I30-Y83 HydrophobicContact CD1-CE2 4.21Å
31Q82.4Confident79Confident139 Ų13965 Ų6565%0.6531%0.312SS*.Hα-helixtrans-61.4-38.4174.6179172.7-30.900112.3K27 I28 L29 A35K27-Q31 VanDerWaalsContact O-CB 3.29Å; K27-Q31 WeakPolarHBondContact O-CB 3.42Å; K27-Q31 PolarHBondContact O-N 3.18Å; I28-Q31 PolarHBondContact O-N 3.48Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 3.45Å; Q31-A35 WeakPolarHBondContact O-CB 3.25Å; Q31-A35 PolarHBondContact O-N 3.46Å; Q31-A35 VanDerWaalsContact O-N 3.07Å
32H83.6Confident80.1Confident20 Ų2062.6 Ų62.69%0.09331%0.307CS..Hα-helixtrans-67.1-48.3175.6174.689.6000112F23 I28 L29 I30 K34 A35 K36 H37F23-H32 HydrophobicContact CD2-CB 4.45Å; F23-H32 HydrophobicContact CE2-CB 3.62Å; F23-H32 AromaticContact CE2-CD2 3.68Å; F23-H32 AromaticContact CE2-CG 3.39Å; F23-H32 AromaticContact CE2-ND1 3.7Å; F23-H32 HydrophobicContact CZ-CB 3.66Å; F23-H32 AromaticContact CZ-CG 3.51Å; F23-H32 AromaticContact CZ-ND1 3.42Å; F23-H32 WeakPolarHBondContact CZ-ND1 3.14Å; I28-H32 WeakPolarHBondContact O-CB 3.47Å; I28-H32 PolarHBondContact O-N 3.29Å; L29-H32 WeakPolarHBondContact O-CB 3.42Å; L29-H32 PolarHBondContact O-N 2.95Å; L29-H32 VanDerWaalsContact O-N 3.14Å; I30-H32 VanDerWaalsContact C-N 3.31Å; I30-H32 PolarHBondContact O-N 3.02Å; H32-K34 VanDerWaalsContact C-N 3.33Å; H32-K34 PolarHBondContact O-N 3.34Å; H32-A35 PolarHBondContact O-N 3.48Å; H32-K36 PolarHBondContact O-N 3.36Å; H32-H37 AromaticContact NE2-NE2 3.75Å
33Q79.4Confident81.5Confident11 Ų1161 Ų615%0.05130%0.303CS..Hα-helixtrans-52.5-50.6175.4-72167.8-11.600110.8L29 I30 A35 H37 F38L29-Q33 HydrophobicContact CD1-CG 4.28Å; L29-Q33 WeakPolarHBondContact O-CG 3.42Å; L29-Q33 PolarHBondContact O-N 3.2Å; I30-Q33 PolarHBondContact O-N 3.37Å; Q33-A35 VanDerWaalsContact C-N 3.28Å; Q33-A35 PolarHBondContact O-N 3.16Å; Q33-H37 PolarHBondContact O-N 2.88Å; Q33-F38 HydrophobicContact CB-CD2 4.03Å; Q33-F38 HydrophobicContact CB-CE2 3.86Å; Q33-F38 PolarHBondContact O-N 3.45Å
34K81.8Confident82.6Confident45 Ų4564.7 Ų64.720%0.19632%0.32CS..Hα-helixtrans-63.1-25.8175.6-66.5169.566.4-177.20114.5I30 H32 K46 L47 Y48I30-K34 HydrophobicContact CG2-CD 3.81Å; I30-K34 HydrophobicContact CG2-CG 4.44Å; I30-K34 WeakPolarHBondContact O-CB 3.35Å; I30-K34 WeakPolarHBondContact O-CD 3Å; I30-K34 WeakPolarHBondContact O-CG 3.07Å; I30-K34 PolarHBondContact O-N 3.1Å; H32-K34 VanDerWaalsContact C-N 3.33Å; H32-K34 PolarHBondContact O-N 3.34Å; K34-K46 WeakPolarHBondContact O-CB 3.26Å; K34-K46 WeakPolarHBondContact O-CG 3.37Å; K34-L47 WeakPolarHBondContact CG-O 3.49Å; K34-Y48 HydrophobicContact CD-CD1 3.87Å; K34-Y48 HydrophobicContact CD-CE1 3.94Å; K34-Y48 HydrophobicContact CD-CG 4.42Å; K34-Y48 PolarHBondContact NZ-OH 3.29Å
35A79.9Confident83.6Confident40 Ų4063.1 Ų63.133%0.33131%0.306SS..Hα-helixtrans-91.8-31.8-17700000113.7Q31 H32 Q33Q31-A35 WeakPolarHBondContact O-CB 3.25Å; Q31-A35 PolarHBondContact O-N 3.46Å; Q31-A35 VanDerWaalsContact O-N 3.07Å; H32-A35 PolarHBondContact O-N 3.48Å; Q33-A35 VanDerWaalsContact C-N 3.28Å; Q33-A35 PolarHBondContact O-N 3.16Å
36K79.6Confident84.4Confident103 Ų10364.7 Ų64.745%0.44831%0.309SS..Hα-helixtrans-109-36.2-174.1-79-135.8176.5-168.60115.5H32 N70H32-K36 PolarHBondContact O-N 3.36Å; K36-N70 PolarHBondContact O-ND2 3.16Å
37H79.9Confident84.9Confident1 Ų161.4 Ų61.41%0.00529%0.294CS..THydrogen-bonded Turntrans-111.3-49.4-169.7-60.1-68.8000111.6Y18 C19 H32 Q33 K39 V68 N70Y18-H37 VanDerWaalsContact CB-CE1 3.47Å; Y18-H37 WeakPolarHBondContact CB-CE1 3.33Å; Y18-H37 WeakPolarHBondContact CB-ND1 3.06Å; Y18-H37 HydrophobicContact CD2-CB 4.32Å; C19-H37 VanDerWaalsContact CB-NE2 3.34Å; C19-H37 WeakPolarHBondContact CB-NE2 3.34Å; H32-H37 AromaticContact NE2-NE2 3.75Å; Q33-H37 PolarHBondContact O-N 2.88Å; H37-K39 PolarHBondContact O-N 3.22Å; H37-V68 HydrophobicContact CB-CG1 3.92Å; H37-N70 PolarHBondContact CE1-O 2.98Å
38F85Confident84.9Confident4 Ų460.4 Ų60.42%0.01829%0.287CS..SBendtrans-86.638.5178-49.1-41000112.4Y18 Q33 L47 Y48Y18-F38 HydrophobicContact CE2-CE1 4.14Å; Y18-F38 HydrophobicContact CE2-CZ 4.14Å; Q33-F38 HydrophobicContact CB-CD2 4.03Å; Q33-F38 HydrophobicContact CB-CE2 3.86Å; Q33-F38 PolarHBondContact O-N 3.45Å; F38-L47 HydrophobicContact CB-CB 4.4Å; F38-L47 WeakPolarHBondContact CB-O 3.47Å; F38-L47 PolarHBondContact O-N 2.88Å; F38-Y48 WeakPolarHBondContact CD2-O 3.39Å
39K87.5Confident85Confident60 Ų6058.3 Ų58.326%0.26128%0.278SS..BIsolated β-bridgetrans-108.9121.3175.6172.8-179.5168.5-68.90109H37 H41 H44H37-K39 PolarHBondContact O-N 3.22Å; K39-H41 PolarHBondContact O-N 3.15Å; K39-H44 PolarHBondContact NZ-CD2 2.94Å; K39-H44 PolarHBondContact NZ-NE2 3.15Å
40C89.4Confident85.1Confident0 Ų058 Ų580%028%0.276CS..  trans-56.4132.2171.2-179.10000110.1I42 H44 K45 L53 C57C40-I42 PolarHBondContact O-N 2.69Å; C40-I42 PolarHBondContact SG-N 3.49Å; C40-H44 WeakPolarHBondContact O-CA 3.33Å; C40-H44 PolarHBondContact O-CD2 3.31Å; C40-H44 PolarHBondContact O-N 3.38Å; C40-K45 PolarHBondContact N-O 3.43Å; C40-L53 HydrophobicContact CB-CD1 4.24Å; C40-C57 VanDerWaalsContact SG-SG 3.61Å
41H87Confident85.2Confident90 Ų9058.2 Ų58.242%0.41728%0.279SS..THydrogen-bonded Turntrans-73.8-17.7175.260.5-73.1000112.8K39 E63 I65K39-H41 PolarHBondContact O-N 3.15Å; H41-E63 IonicContact CD2-OE1 3.81Å; H41-E63 IonicContact CE1-OE1 2.76Å; H41-E63 PolarHBondContact CE1-OE1 2.75Å; H41-E63 IonicContact CE1-OE2 2.62Å; H41-E63 IonicContact NE2-OE1 3.47Å; H41-E63 PolarHBondContact NE2-OE1 3.26Å; H41-E63 IonicContact NE2-OE2 3.7Å; H41-E63 PolarHBondContact NE2-OE2 3.03Å; H41-I65 WeakPolarHBondContact CE1-CD1 3.43Å; H41-I65 WeakPolarHBondContact CE1-CG1 3.42Å
42I91.3Very high85.6Confident66 Ų6652.4 Ų52.434%0.33826%0.257SS..THydrogen-bonded Turntrans-92.8-66.2-171.3-43.6165.8000110.7C40 H61 E63C40-I42 PolarHBondContact O-N 2.69Å; C40-I42 PolarHBondContact SG-N 3.49Å; I42-H61 HydrophobicContact CD1-CB 3.35Å; I42-H61 HydrophobicContact CG2-CB 4.39Å; I42-E63 HydrophobicContact CD1-CB 3.96Å; I42-E63 HydrophobicContact CD1-CG 4.49Å; I42-E63 WeakPolarHBondContact CD1-OE2 3.18Å
43C93Very high85.8Confident61 Ų6151.5 Ų51.541%0.41225%0.253SS..THydrogen-bonded Turntrans-97.74.5178.370.10000114.8K45 H56 H61C43-K45 PolarHBondContact O-N 3.36Å; C43-K45 WeakPolarHBondContact SG-CB 3.03Å; C43-H56 PolarHBondContact SG-CE1 2.97Å; C43-H56 PolarHBondContact SG-NE2 2.88Å; C43-H61 WeakPolarHBondContact CB-NE2 3.23Å; C43-H61 PolarHBondContact SG-NE2 2.99Å
44H89.9Confident86.2Confident116 Ų11651.8 Ų51.854%0.53726%0.257SS..  trans61.78.5179-68.5-171.3000116.2K39 C40K39-H44 PolarHBondContact NZ-CD2 2.94Å; K39-H44 PolarHBondContact NZ-NE2 3.15Å; C40-H44 WeakPolarHBondContact O-CA 3.33Å; C40-H44 PolarHBondContact O-CD2 3.31Å; C40-H44 PolarHBondContact O-N 3.38Å
45K90.7Very high86.7Confident113 Ų11353.3 Ų53.349%0.49127%0.266SS..  trans-61.9135.3175.5-166.7176.2-168.4-70.90111C40 C43 L47C40-K45 PolarHBondContact N-O 3.43Å; C43-K45 PolarHBondContact O-N 3.36Å; C43-K45 WeakPolarHBondContact SG-CB 3.03Å; K45-L47 HydrophobicContact CB-CD2 4.32Å; K45-L47 HydrophobicContact CD-CD2 4.16Å; K45-L47 HydrophobicContact CG-CD2 3.9Å
46K90.3Very high87.4Confident124 Ų12452.1 Ų52.154%0.53925%0.254SS..BIsolated β-bridgetrans-92.6122.3177.4-59.5179-175.1172.90109.5K34K34-K46 WeakPolarHBondContact O-CB 3.26Å; K34-K46 WeakPolarHBondContact O-CG 3.37Å
47L87.4Confident87.9Confident26 Ų2647.2 Ų47.214%0.13623%0.232CC..  trans-104.5170.9175.5-85.7-73.2000109.1K34 F38 K45 G52 L53 H56K34-L47 WeakPolarHBondContact CG-O 3.49Å; F38-L47 HydrophobicContact CB-CB 4.4Å; F38-L47 WeakPolarHBondContact CB-O 3.47Å; F38-L47 PolarHBondContact O-N 2.88Å; K45-L47 HydrophobicContact CB-CD2 4.32Å; K45-L47 HydrophobicContact CD-CD2 4.16Å; K45-L47 HydrophobicContact CG-CD2 3.9Å; L47-G52 WeakPolarHBondContact CD1-O 3.35Å; L47-G52 WeakPolarHBondContact CG-O 3.23Å; L47-L53 HydrophobicContact CB-CB 4.5Å; L47-H56 HydrophobicContact CD1-CB 4.36Å; L47-H56 HydrophobicContact CD2-CB 4.22Å; L47-H56 VanDerWaalsContact CD2-CD2 3.42Å; L47-H56 WeakPolarHBondContact CD2-CD2 3.39Å; L47-H56 HydrophobicContact CG-CB 4.16Å
48Y80.3Confident88.4Confident144 Ų14452.1 Ų52.157%0.56526%0.257SS*.SBendtrans-103.2-24.2-173.6-74.1-105.2000113.9K34 F38K34-Y48 HydrophobicContact CD-CD1 3.87Å; K34-Y48 HydrophobicContact CD-CE1 3.94Å; K34-Y48 HydrophobicContact CD-CG 4.42Å; K34-Y48 PolarHBondContact NZ-OH 3.29Å; F38-Y48 WeakPolarHBondContact CD2-O 3.39Å
49T83.6Confident88.8Confident33 Ų3358.5 Ų58.520%0.20229%0.287CS..SBendtrans-137.3162.6-17563.50000111.2G52 L53T49-G52 PolarHBondContact O-N 3.32Å; T49-G52 PolarHBondContact OG1-N 2.76Å; T49-L53 PolarHBondContact O-N 3.1Å; T49-L53 VanDerWaalsContact O-N 3.15Å
50G83.3Confident89.2Confident1 Ų160.1 Ų60.11%0.0130%0.301CS..Hα-helixtrans-55.8-54.9173.100000113.3G52 L53 A54 I78G50-G52 VanDerWaalsContact C-N 3.28Å; G50-G52 PolarHBondContact O-N 3.07Å; G50-L53 WeakPolarHBondContact O-CB 3.36Å; G50-L53 PolarHBondContact O-N 2.79Å; G50-L53 VanDerWaalsContact O-N 3.1Å; G50-A54 PolarHBondContact O-N 3.12Å; G50-I78 CarbonylContact C-O 3.12Å
51P84.9Confident89.4Confident25 Ų2562.9 Ų62.916%0.16231%0.314CS..Hα-helixtrans-61.2-39.2179.3-22.833.7000111.7L53 A54 I55 I78 E81P51-L53 VanDerWaalsContact C-N 3.27Å; P51-L53 PolarHBondContact O-N 3.25Å; P51-A54 PolarHBondContact O-N 2.84Å; P51-I55 HydrophobicContact CB-CD1 4.38Å; P51-I55 WeakPolarHBondContact O-CB 3.22Å; P51-I55 WeakPolarHBondContact O-CD1 3.43Å; P51-I55 VanDerWaalsContact O-CG1 3.23Å; P51-I55 WeakPolarHBondContact O-CG1 3.44Å; P51-I55 PolarHBondContact O-N 2.62Å; P51-I78 WeakPolarHBondContact CD-O 3.04Å; P51-I78 VanDerWaalsContact CG-O 3.23Å; P51-I78 WeakPolarHBondContact CG-O 3.41Å; P51-I78 VanDerWaalsContact N-O 3.17Å; P51-E81 HydrophobicContact CG-CG 3.9Å
52G89.1Confident89.7Confident18 Ų1867.6 Ų67.619%0.18633%0.333CS..Hα-helixtrans-60.6-32.5177.400000113.6L47 T49 G50 H56L47-G52 WeakPolarHBondContact CD1-O 3.35Å; L47-G52 WeakPolarHBondContact CG-O 3.23Å; T49-G52 PolarHBondContact O-N 3.32Å; T49-G52 PolarHBondContact OG1-N 2.76Å; G50-G52 VanDerWaalsContact C-N 3.28Å; G50-G52 PolarHBondContact O-N 3.07Å; G52-H56 WeakPolarHBondContact O-CB 3.4Å; G52-H56 PolarHBondContact O-N 3.37Å; G52-H56 VanDerWaalsContact O-N 3.16Å
53L88.3Confident89.3Confident1 Ų168.1 Ų68.11%0.00533%0.334CS..Hα-helixtrans-68.6-48.8173-179.468.8000111.6C40 L47 T49 G50 P51 H56 C57 P69C40-L53 HydrophobicContact CB-CD1 4.24Å; L47-L53 HydrophobicContact CB-CB 4.5Å; T49-L53 PolarHBondContact O-N 3.1Å; T49-L53 VanDerWaalsContact O-N 3.15Å; G50-L53 WeakPolarHBondContact O-CB 3.36Å; G50-L53 PolarHBondContact O-N 2.79Å; G50-L53 VanDerWaalsContact O-N 3.1Å; P51-L53 VanDerWaalsContact C-N 3.27Å; P51-L53 PolarHBondContact O-N 3.25Å; L53-H56 PolarHBondContact O-N 2.84Å; L53-C57 PolarHBondContact O-N 3.27Å; L53-C57 PolarHBondContact O-SG 2.82Å; L53-P69 HydrophobicContact CD2-CG 4.16Å
54A88.4Confident88.7Confident16 Ų1669.6 Ų69.613%0.13234%0.342CS..Hα-helixtrans-65.7-47-177.500000112G50 P51 H56 C57 M58 I78G50-A54 PolarHBondContact O-N 3.12Å; P51-A54 PolarHBondContact O-N 2.84Å; A54-H56 VanDerWaalsContact C-N 3.29Å; A54-H56 PolarHBondContact O-N 3.21Å; A54-C57 PolarHBondContact O-N 2.86Å; A54-M58 WeakPolarHBondContact O-CB 3.42Å; A54-M58 PolarHBondContact O-N 3.41Å; A54-I78 HydrophobicContact CB-CD1 4.24Å; A54-I78 HydrophobicContact CB-CG2 3.57Å
55I92.3Very high88.1Confident77 Ų7765.2 Ų65.240%0.39532%0.322SS..Hα-helixtrans-56.5-45.1174.2-67.1165.9000110.2P51 C57 M58 Q59P51-I55 HydrophobicContact CB-CD1 4.38Å; P51-I55 WeakPolarHBondContact O-CB 3.22Å; P51-I55 WeakPolarHBondContact O-CD1 3.43Å; P51-I55 VanDerWaalsContact O-CG1 3.23Å; P51-I55 WeakPolarHBondContact O-CG1 3.44Å; P51-I55 PolarHBondContact O-N 2.62Å; I55-C57 PolarHBondContact O-N 3.4Å; I55-M58 PolarHBondContact O-N 3.45Å; I55-Q59 HydrophobicContact CG2-CG 4.21Å; I55-Q59 VanDerWaalsContact O-CB 3.26Å; I55-Q59 WeakPolarHBondContact O-CB 3.46Å; I55-Q59 VanDerWaalsContact O-CG 3.25Å; I55-Q59 WeakPolarHBondContact O-CG 3.44Å; I55-Q59 PolarHBondContact O-N 3.01Å
56H93.9Very high86.9Confident15 Ų1566.6 Ų66.67%0.06934%0.335CS..Hα-helixtrans-61-44.6177.7165.636.6000112.7C43 L47 G52 L53 A54 V60 H61C43-H56 PolarHBondContact SG-CE1 2.97Å; C43-H56 PolarHBondContact SG-NE2 2.88Å; L47-H56 HydrophobicContact CD1-CB 4.36Å; L47-H56 HydrophobicContact CD2-CB 4.22Å; L47-H56 VanDerWaalsContact CD2-CD2 3.42Å; L47-H56 WeakPolarHBondContact CD2-CD2 3.39Å; L47-H56 HydrophobicContact CG-CB 4.16Å; G52-H56 WeakPolarHBondContact O-CB 3.4Å; G52-H56 PolarHBondContact O-N 3.37Å; G52-H56 VanDerWaalsContact O-N 3.16Å; L53-H56 PolarHBondContact O-N 2.84Å; A54-H56 VanDerWaalsContact C-N 3.29Å; A54-H56 PolarHBondContact O-N 3.21Å; H56-V60 VanDerWaalsContact ND1-CG2 3.35Å; H56-V60 WeakPolarHBondContact ND1-CG2 3.41Å; H56-V60 VanDerWaalsContact O-CB 3.28Å; H56-V60 WeakPolarHBondContact O-CB 3.28Å; H56-V60 WeakPolarHBondContact O-CG2 3.49Å; H56-V60 PolarHBondContact O-N 2.86Å; H56-H61 AromaticContact CE1-NE2 3.78Å
57C90.1Very high86Confident0 Ų062.7 Ų62.70%033%0.326CS..Hα-helixtrans-69.9-42.1-179.3-59.50000111.4C40 L53 A54 I55 Q59 H61 K62 E63 I65C40-C57 VanDerWaalsContact SG-SG 3.61Å; L53-C57 PolarHBondContact O-N 3.27Å; L53-C57 PolarHBondContact O-SG 2.82Å; A54-C57 PolarHBondContact O-N 2.86Å; I55-C57 PolarHBondContact O-N 3.4Å; C57-Q59 PolarHBondContact O-N 3.01Å; C57-H61 CarbonylContact O-C 3.45Å; C57-H61 WeakPolarHBondContact O-CA 3.37Å; C57-H61 WeakPolarHBondContact O-CB 3.33Å; C57-H61 PolarHBondContact O-N 3.14Å; C57-K62 PolarHBondContact O-N 3.05Å; C57-E63 CarbonylContact C-O 3.42Å; C57-E63 WeakPolarHBondContact CB-O 3.29Å; C57-E63 PolarHBondContact O-N 3.38Å; C57-I65 HydrophobicContact CB-CD1 3.75Å; C57-I65 HydrophobicContact CB-CG1 4.06Å; C57-I65 WeakPolarHBondContact SG-CD1 3.3Å
58M91.3Very high85.1Confident105 Ų10561.7 Ų61.752%0.51732%0.321SS..Hα-helixtrans-64-39.9176.5-177172.259.600112.4A54 I55 K62 E63 T64A54-M58 WeakPolarHBondContact O-CB 3.42Å; A54-M58 PolarHBondContact O-N 3.41Å; I55-M58 PolarHBondContact O-N 3.45Å; M58-K62 VanDerWaalsContact O-CA 3.32Å; M58-K62 WeakPolarHBondContact O-CA 3.4Å; M58-K62 PolarHBondContact O-N 3.39Å; M58-E63 WeakPolarHBondContact CA-O 3.46Å; M58-E63 PolarHBondContact N-O 3.12Å; M58-E63 VanDerWaalsContact N-O 3.1Å; M58-T64 HydrophobicContact SD-CG2 4.42Å
59Q94.1Very high84.3Confident138 Ų13856.5 Ų56.565%0.64531%0.305SS*.Hα-helixtrans-79.3-49.5-179.7-71.3178.1-9.500113.4I55 C57I55-Q59 HydrophobicContact CG2-CG 4.21Å; I55-Q59 VanDerWaalsContact O-CB 3.26Å; I55-Q59 WeakPolarHBondContact O-CB 3.46Å; I55-Q59 VanDerWaalsContact O-CG 3.25Å; I55-Q59 WeakPolarHBondContact O-CG 3.44Å; I55-Q59 PolarHBondContact O-N 3.01Å; C57-Q59 PolarHBondContact O-N 3.01Å
60V94.9Very high83.2Confident93 Ų9361 Ų6156%0.56433%0.327SS*.Hα-helixtrans-87-30.3-170.1-176.60000112.1H56H56-V60 VanDerWaalsContact ND1-CG2 3.35Å; H56-V60 WeakPolarHBondContact ND1-CG2 3.41Å; H56-V60 VanDerWaalsContact O-CB 3.28Å; H56-V60 WeakPolarHBondContact O-CB 3.28Å; H56-V60 WeakPolarHBondContact O-CG2 3.49Å; H56-V60 PolarHBondContact O-N 2.86Å
61H93.8Very high82.2Confident59 Ų5962.1 Ų62.127%0.27334%0.336SS..THydrogen-bonded Turntrans-118.4-7.7-175.3-59-60.2000114.3I42 C43 H56 C57 E63I42-H61 HydrophobicContact CD1-CB 3.35Å; I42-H61 HydrophobicContact CG2-CB 4.39Å; C43-H61 WeakPolarHBondContact CB-NE2 3.23Å; C43-H61 PolarHBondContact SG-NE2 2.99Å; H56-H61 AromaticContact CE1-NE2 3.78Å; C57-H61 CarbonylContact O-C 3.45Å; C57-H61 WeakPolarHBondContact O-CA 3.37Å; C57-H61 WeakPolarHBondContact O-CB 3.33Å; C57-H61 PolarHBondContact O-N 3.14Å; H61-E63 PolarHBondContact O-N 3.37Å
62K93.4Very high81.1Confident188 Ų18863.7 Ų63.782%0.81734%0.343SS*.  trans60.426.3-175.6-52.6-179.7-179.4-62.20113C57 M58C57-K62 PolarHBondContact O-N 3.05Å; M58-K62 VanDerWaalsContact O-CA 3.32Å; M58-K62 WeakPolarHBondContact O-CA 3.4Å; M58-K62 PolarHBondContact O-N 3.39Å
63E83.4Confident79.5Confident77 Ų7768.5 Ų68.536%0.3637%0.371SS..  trans-111.7120.6178.6-168.3178150.200109.7H41 I42 C57 M58 H61H41-E63 IonicContact CD2-OE1 3.81Å; H41-E63 IonicContact CE1-OE1 2.76Å; H41-E63 PolarHBondContact CE1-OE1 2.75Å; H41-E63 IonicContact CE1-OE2 2.62Å; H41-E63 IonicContact NE2-OE1 3.47Å; H41-E63 PolarHBondContact NE2-OE1 3.26Å; H41-E63 IonicContact NE2-OE2 3.7Å; H41-E63 PolarHBondContact NE2-OE2 3.03Å; I42-E63 HydrophobicContact CD1-CB 3.96Å; I42-E63 HydrophobicContact CD1-CG 4.49Å; I42-E63 WeakPolarHBondContact CD1-OE2 3.18Å; C57-E63 CarbonylContact C-O 3.42Å; C57-E63 WeakPolarHBondContact CB-O 3.29Å; C57-E63 PolarHBondContact O-N 3.38Å; M58-E63 WeakPolarHBondContact CA-O 3.46Å; M58-E63 PolarHBondContact N-O 3.12Å; M58-E63 VanDerWaalsContact N-O 3.1Å; H61-E63 PolarHBondContact O-N 3.37Å
64T80.1Confident78.2Confident93 Ų9371.9 Ų71.957%0.57141%0.406SS*.  trans-78.1133.9172.246.90000109.8M58M58-T64 HydrophobicContact SD-CG2 4.42Å
65I76.4Confident76.7Confident24 Ų2473.4 Ų73.412%0.12341%0.408CS..  trans-120118.4172.5-56.8-178.5000106.8H41 C57 A67 I78H41-I65 WeakPolarHBondContact CE1-CD1 3.43Å; H41-I65 WeakPolarHBondContact CE1-CG1 3.42Å; C57-I65 HydrophobicContact CB-CD1 3.75Å; C57-I65 HydrophobicContact CB-CG1 4.06Å; C57-I65 WeakPolarHBondContact SG-CD1 3.3Å; I65-A67 WeakPolarHBondContact CG2-O 3.47Å; I65-I78 HydrophobicContact CB-CD1 4.45Å; I65-I78 HydrophobicContact CG2-CD1 4.02Å; I65-I78 WeakPolarHBondContact O-CD1 3.31Å
66D66.1Low75.1Confident141 Ų14171.6 Ų71.675%0.75440%0.401SS*.SBendtrans-96.5-10.1-179.5-52-73000113.1I78D66-I78 VanDerWaalsContact C-CD1 3.47Å
67A71.4Confident73.6Confident43 Ų4375 Ų7536%0.35542%0.42SS..SBendtrans-141.8134.717900000112I65 T76I65-A67 WeakPolarHBondContact CG2-O 3.47Å; A67-T76 HydrophobicContact CB-CG2 3.86Å
68V67.9Low72.3Confident4 Ų476.2 Ų76.22%0.02443%0.426CS..  trans-57.7127.2176.8176.20000110.4Y18 H37 A71 T76 I78Y18-V68 HydrophobicContact CD1-CB 4.37Å; Y18-V68 HydrophobicContact CD1-CG1 4.35Å; Y18-V68 HydrophobicContact CE1-CB 4Å; Y18-V68 HydrophobicContact CE1-CG1 4.29Å; Y18-V68 HydrophobicContact CE1-CG2 4.08Å; Y18-V68 HydrophobicContact CE2-CG1 4.48Å; Y18-V68 HydrophobicContact CG-CG1 4.45Å; H37-V68 HydrophobicContact CB-CG1 3.92Å; V68-A71 HydrophobicContact CB-CB 4.18Å; V68-A71 WeakPolarHBondContact O-CB 3.39Å; V68-A71 PolarHBondContact O-N 3.27Å; V68-A71 VanDerWaalsContact O-N 3.14Å; V68-T76 PolarHBondContact N-O 3.49Å; V68-I78 HydrophobicContact CG2-CG1 3.74Å
69P63Low70.8Confident36 Ų3679.6 Ų79.623%0.23444%0.44CS..THydrogen-bonded Turntrans-65.6140.3-178.825.3-33.4000111.6L53 A71L53-P69 HydrophobicContact CD2-CG 4.16Å; P69-A71 VanDerWaalsContact C-N 3.27Å; P69-A71 PolarHBondContact O-N 3.41Å
70N60.2Low69.4Low127 Ų12775.5 Ų75.568%0.67942%0.422SS*.THydrogen-bonded Turntrans61.526.7-170.4-43.8-67.8000114.5K36 H37K36-N70 PolarHBondContact O-ND2 3.16Å; H37-N70 PolarHBondContact CE1-O 2.98Å
71A62.5Low67.9Low24 Ų2477.4 Ų77.420%0.19843%0.425CS..PPolyproline II helixtrans-80.3159.9169.600000113Y18 V68 P69 T76Y18-A71 HydrophobicContact CD1-CB 3.47Å; Y18-A71 VanDerWaalsContact CD1-CB 3.47Å; Y18-A71 HydrophobicContact CE1-CB 4.08Å; Y18-A71 HydrophobicContact CG-CB 4.38Å; V68-A71 HydrophobicContact CB-CB 4.18Å; V68-A71 WeakPolarHBondContact O-CB 3.39Å; V68-A71 PolarHBondContact O-N 3.27Å; V68-A71 VanDerWaalsContact O-N 3.14Å; P69-A71 VanDerWaalsContact C-N 3.27Å; P69-A71 PolarHBondContact O-N 3.41Å; A71-T76 HydrophobicContact CB-CG2 3.91Å
72I62.3Low66.4Low59 Ų5975.2 Ų75.230%0.30342%0.415SS..PPolyproline II helixtrans-74.8130.6168.8-58.2176.6000108.2G74 R75I72-G74 PolarHBondContact O-N 3.27Å; I72-R75 PolarHBondContact O-N 3.03Å; I72-R75 VanDerWaalsContact O-N 3.1Å
73P56Low64.8Low118 Ų11872.1 Ų72.177%0.76640%0.399SS*.THydrogen-bonded Turntrans-59.7137.1178.225-34.3000110.9
74G60.8Low63.9Low72 Ų7268.4 Ų68.474%0.74238%0.382SS*.THydrogen-bonded Turntrans86.2-3.2-173.700000115.1I72I72-G74 PolarHBondContact O-N 3.27Å
75R57.4Low62.9Low49 Ų4968.3 Ų68.319%0.18538%0.376CS..  trans-130.634.2173.1-61.5-164.4-177.9-161.311.3112.9R17 Y18 I72 D92 E95R17-R75 HydrophobicContact CG-CB 3.7Å; R17-R75 HydrophobicContact CG-CG 4.45Å; R17-R75 PolarHBondContact NE-O 3.29Å; R17-R75 VanDerWaalsContact NE-O 3.15Å; Y18-R75 WeakPolarHBondContact CE1-O 3.35Å; I72-R75 PolarHBondContact O-N 3.03Å; I72-R75 VanDerWaalsContact O-N 3.1Å; R75-D92 WeakPolarHBondContact CD-OD2 3.28Å; R75-D92 IonicContact CZ-OD2 2.47Å; R75-D92 IonicContact NE-OD2 2.9Å; R75-D92 IonicContact NH1-OD1 1.87Å; R75-D92 IonicContact NH1-OD2 3.79Å; R75-D92 PolarHBondContact NH1-OD2 3.36Å; R75-E95 IonicContact CZ-OE2 2.84Å; R75-E95 IonicContact NH2-OE2 3.95Å; R75-E95 PolarHBondContact NH2-OE2 3.28Å
76T58.4Low61.7Low39 Ų3974.4 Ų74.424%0.23940%0.404CS..  trans-88-8-16847.30000115.7A67 V68 A71 I78A67-T76 HydrophobicContact CB-CG2 3.86Å; V68-T76 PolarHBondContact N-O 3.49Å; A71-T76 HydrophobicContact CB-CG2 3.91Å; T76-I78 PolarHBondContact O-N 3.15Å
77D61.4Low61.3Low86 Ų8669.9 Ų69.946%0.4639%0.391SS..  trans-48.6117.4-168.8-60.2-51.3000114R17 Y18 L80R17-D77 IonicContact CZ-OD2 3.68Å; R17-D77 IonicContact NH2-OD2 3.78Å; R17-D77 PolarHBondContact NH2-OD2 3.47Å; Y18-D77 PolarHBondContact OH-O 3.49Å; D77-L80 HydrophobicContact CB-CD1 4.02Å; D77-L80 HydrophobicContact CB-CG 4.03Å
78I63.5Low60.9Low25 Ų2569.6 Ų69.613%0.12838%0.383CS..THydrogen-bonded Turntrans-77.1-26.4-180-81.1173.7000112.3G50 P51 A54 I65 D66 V68 T76 L80G50-I78 CarbonylContact C-O 3.12Å; P51-I78 WeakPolarHBondContact CD-O 3.04Å; P51-I78 VanDerWaalsContact CG-O 3.23Å; P51-I78 WeakPolarHBondContact CG-O 3.41Å; P51-I78 VanDerWaalsContact N-O 3.17Å; A54-I78 HydrophobicContact CB-CD1 4.24Å; A54-I78 HydrophobicContact CB-CG2 3.57Å; I65-I78 HydrophobicContact CB-CD1 4.45Å; I65-I78 HydrophobicContact CG2-CD1 4.02Å; I65-I78 WeakPolarHBondContact O-CD1 3.31Å; D66-I78 VanDerWaalsContact C-CD1 3.47Å; V68-I78 HydrophobicContact CG2-CG1 3.74Å; T76-I78 PolarHBondContact O-N 3.15Å; I78-L80 VanDerWaalsContact C-N 3.27Å; I78-L80 PolarHBondContact O-N 3.03Å
79E59.6Low60.7Low177 Ų17771.5 Ų71.583%0.82740%0.395SS*.THydrogen-bonded Turntrans-72.7-14.6-177.3-59.8-168.613300114E81E79-E81 PolarHBondContact O-N 3.36Å
80L64.6Low60.6Low51 Ų5177.1 Ų77.127%0.26742%0.418SS..  trans-77.6107179.8-63.9178.5000111.1D77 I78 I82 P89D77-L80 HydrophobicContact CB-CD1 4.02Å; D77-L80 HydrophobicContact CB-CG 4.03Å; I78-L80 VanDerWaalsContact C-N 3.27Å; I78-L80 PolarHBondContact O-N 3.03Å; L80-I82 HydrophobicContact CB-CD1 4.24Å; L80-I82 HydrophobicContact CB-CG1 3.96Å; L80-I82 HydrophobicContact CD1-CD1 4.47Å; L80-I82 PolarHBondContact O-N 2.9Å; L80-P89 HydrophobicContact CD1-CG 4.43Å
81E63.9Low60.4Low134 Ų13479.6 Ų79.663%0.62642%0.423SS*.  trans-7463.7171.7-63.9-158.211900112.1P51 E79 Y83P51-E81 HydrophobicContact CG-CG 3.9Å; E79-E81 PolarHBondContact O-N 3.36Å; E81-Y83 PolarHBondContact O-N 3.07Å
82I62.6Low60.4Low12 Ų1279.4 Ų79.46%0.06242%0.419CS..  trans-74.2114.3174.4-54.1177.8000109.1L80 E86 I88L80-I82 HydrophobicContact CB-CD1 4.24Å; L80-I82 HydrophobicContact CB-CG1 3.96Å; L80-I82 HydrophobicContact CD1-CD1 4.47Å; L80-I82 PolarHBondContact O-N 2.9Å; I82-E86 WeakPolarHBondContact CA-O 3.37Å; I82-I88 HydrophobicContact CG2-CG1 3.73Å
83Y59.2Low60.5Low123 Ų12379.6 Ų79.648%0.48242%0.419SS..BIsolated β-bridgetrans-117.6111.3175.5-177.7-87.9000109.8I30 E81 M85 E86I30-Y83 HydrophobicContact CD1-CE1 3.89Å; I30-Y83 HydrophobicContact CD1-CE2 4.21Å; E81-Y83 PolarHBondContact O-N 3.07Å; Y83-M85 PolarHBondContact O-N 2.96Å; Y83-E86 PolarHBondContact N-O 2.76Å; Y83-E86 PolarHBondContact O-N 2.83Å
84G65.6Low60.9Low0 Ų077.4 Ų77.40%040%0.401CS..THydrogen-bonded Turntrans61.3-107.6-177.600000111.4
85M57.7Low61.1Low90 Ų9079 Ų7944%0.44339%0.39SS..THydrogen-bonded Turntrans-100.5-15173.2-50.1-17167.400114.1A11 V14 Y83A11-M85 WeakPolarHBondContact O-CE 3.32Å; V14-M85 HydrophobicContact CG2-CB 4.01Å; V14-M85 HydrophobicContact CG2-CE 3.97Å; V14-M85 HydrophobicContact CG2-CG 3.67Å; Y83-M85 PolarHBondContact O-N 2.96Å
86E52.5Low61.4Low153 Ų15378.1 Ų78.172%0.71539%0.386SS*.BIsolated β-bridgetrans-83.9144.5-175.1-164.2166.6-170.700111I82 Y83I82-E86 WeakPolarHBondContact CA-O 3.37Å; Y83-E86 PolarHBondContact N-O 2.76Å; Y83-E86 PolarHBondContact O-N 2.83Å
87G57.3Low61.9Low46 Ų4682.5 Ų82.547%0.47440%0.398SS..THydrogen-bonded Turntrans84.21.7-179.400000116.4
88I61.7Low62.4Low36 Ų3686.2 Ų86.219%0.18541%0.406CS..  trans-72.3126.2174-54.9176.1000109.5V14 I82 D92 M93V14-I88 HydrophobicContact CB-CD1 4.42Å; V14-I88 HydrophobicContact CG1-CD1 3.83Å; V14-I88 HydrophobicContact CG2-CD1 3.72Å; I82-I88 HydrophobicContact CG2-CG1 3.73Å; I88-D92 HydrophobicContact CG2-CB 4.21Å; I88-M93 HydrophobicContact CB-SD 4.38Å; I88-M93 HydrophobicContact CD1-SD 4.39Å; I88-M93 HydrophobicContact CG2-CG 3.95Å; I88-M93 HydrophobicContact CG2-SD 3.82Å
89P64.2Low62.6Low44 Ų4489.5 Ų89.529%0.28642%0.423SS..  trans-67.9135.8178.826.8-33.6000111.5L80 K91 D92L80-P89 HydrophobicContact CD1-CG 4.43Å; P89-K91 PolarHBondContact O-N 2.97Å; P89-K91 VanDerWaalsContact O-N 3.07Å; P89-D92 HydrophobicContact CG-CB 4.19Å; P89-D92 WeakPolarHBondContact O-CB 3.4Å; P89-D92 PolarHBondContact O-N 2.83Å
90E60.6Low62.9Low154 Ų15484.5 Ų84.572%0.7240%0.401SS*.Hα-helixtrans-55-32.9-173.9-164.7165.1-143.100113.6D92 M93 D94E90-D92 VanDerWaalsContact C-N 3.33Å; E90-D92 PolarHBondContact O-N 3.26Å; E90-M93 WeakPolarHBondContact O-CA 3.33Å; E90-M93 WeakPolarHBondContact O-CB 3.44Å; E90-M93 PolarHBondContact O-N 3.4Å; E90-D94 PolarHBondContact O-N 2.96Å
91K57.1Low63.3Low179 Ų17987 Ų8778%0.77841%0.412SS*.Hα-helixtrans-58.1-39.4173.7-62.6-179.5-179.4177.80113.4P89 M93 E95P89-K91 PolarHBondContact O-N 2.97Å; P89-K91 VanDerWaalsContact O-N 3.07Å; K91-M93 VanDerWaalsContact C-N 3.27Å; K91-M93 PolarHBondContact O-N 3.18Å; K91-E95 PolarHBondContact O-N 3.26Å; K91-E95 VanDerWaalsContact O-N 3.15Å
92D62.2Low63.7Low21 Ų2185.4 Ų85.411%0.11241%0.405CS..Hα-helixtrans-70.8-25.3177.1-84.837.3000111.7R17 R75 I88 P89 E90 R96R17-D92 WeakPolarHBondContact CD-OD2 3.49Å; R17-D92 IonicContact CZ-OD2 3.27Å; R17-D92 IonicContact NE-OD2 2.88Å; R17-D92 IonicContact NH1-OD1 2.87Å; R17-D92 PolarHBondContact NH1-OD1 2.96Å; R17-D92 IonicContact NH1-OD2 3.33Å; R17-D92 PolarHBondContact NH1-OD2 3.32Å; R75-D92 WeakPolarHBondContact CD-OD2 3.28Å; R75-D92 IonicContact CZ-OD2 2.47Å; R75-D92 IonicContact NE-OD2 2.9Å; R75-D92 IonicContact NH1-OD1 1.87Å; R75-D92 IonicContact NH1-OD2 3.79Å; R75-D92 PolarHBondContact NH1-OD2 3.36Å; I88-D92 HydrophobicContact CG2-CB 4.21Å; P89-D92 HydrophobicContact CG-CB 4.19Å; P89-D92 WeakPolarHBondContact O-CB 3.4Å; P89-D92 PolarHBondContact O-N 2.83Å; E90-D92 VanDerWaalsContact C-N 3.33Å; E90-D92 PolarHBondContact O-N 3.26Å; D92-R96 VanDerWaalsContact O-CB 3.28Å; D92-R96 WeakPolarHBondContact O-CB 3.49Å
93M63.8Low63.9Low63 Ų6391.9 Ų91.931%0.3143%0.432SS..Hα-helixtrans-78.5-43.5177.9-61.7-71.2-81.800111.2I88 E90 K91 R96 R97I88-M93 HydrophobicContact CB-SD 4.38Å; I88-M93 HydrophobicContact CD1-SD 4.39Å; I88-M93 HydrophobicContact CG2-CG 3.95Å; I88-M93 HydrophobicContact CG2-SD 3.82Å; E90-M93 WeakPolarHBondContact O-CA 3.33Å; E90-M93 WeakPolarHBondContact O-CB 3.44Å; E90-M93 PolarHBondContact O-N 3.4Å; K91-M93 VanDerWaalsContact C-N 3.27Å; K91-M93 PolarHBondContact O-N 3.18Å; M93-R96 PolarHBondContact O-N 2.98Å; M93-R97 PolarHBondContact O-N 3.13Å
94D64.1Low64.5Low71 Ų7189.6 Ų89.638%0.3843%0.431SS..Hα-helixtrans-78.6-35.1-178.1-77.7-31.5000114.3E90 R96 R97 R98E90-D94 PolarHBondContact O-N 2.96Å; D94-R96 PolarHBondContact O-N 3.33Å; D94-R97 WeakPolarHBondContact O-CB 3.44Å; D94-R97 PolarHBondContact O-N 3.43Å; D94-R97 IonicContact OD1-CZ 3.16Å; D94-R97 IonicContact OD1-NE 3.13Å; D94-R97 PolarHBondContact OD1-NE 3.33Å; D94-R97 IonicContact OD1-NH2 2.88Å; D94-R97 PolarHBondContact OD1-NH2 3.35Å; D94-R98 PolarHBondContact O-N 2.99Å
95E65.7Low64.6Low107 Ų10796 Ų9650%0.546%0.461SS..Hα-helixtrans-57.8-37.3168.3-179.7172-125.100110.3R75 K91 R98 L99R75-E95 IonicContact CZ-OE2 2.84Å; R75-E95 IonicContact NH2-OE2 3.95Å; R75-E95 PolarHBondContact NH2-OE2 3.28Å; K91-E95 PolarHBondContact O-N 3.26Å; K91-E95 VanDerWaalsContact O-N 3.15Å; E95-R98 PolarHBondContact O-N 3.48Å; E95-L99 HydrophobicContact CG-CD1 4.27Å; E95-L99 WeakPolarHBondContact O-CG 3.36Å; E95-L99 PolarHBondContact O-N 3.07Å
96R62.9Low64.7Low29 Ų2999 Ų9911%0.10947%0.474CS..Hα-helixtrans-75.3-37.5179.5-176.4134.1148.7-78.8-14.1113.7T13 D92 M93 D94 R98 L99 L100T13-R96 VanDerWaalsContact CB-NH2 3.26Å; T13-R96 VanDerWaalsContact O-CZ 3.32Å; T13-R96 PolarHBondContact O-NH1 3.23Å; T13-R96 PolarHBondContact O-NH2 3.44Å; D92-R96 VanDerWaalsContact O-CB 3.28Å; D92-R96 WeakPolarHBondContact O-CB 3.49Å; M93-R96 PolarHBondContact O-N 2.98Å; D94-R96 PolarHBondContact O-N 3.33Å; R96-R98 VanDerWaalsContact C-N 3.31Å; R96-R98 PolarHBondContact O-N 2.9Å; R96-L99 PolarHBondContact O-N 2.94Å; R96-L100 HydrophobicContact CG-CD1 4.41Å; R96-L100 WeakPolarHBondContact O-CG 3.42Å; R96-L100 PolarHBondContact O-N 2.72Å
97R68.8Low65Low132 Ų13295.2 Ų95.250%0.49846%0.464SS..Hα-helixtrans-52.3-52.2168.4-173.1-160.7-55.3-88.61.1110M93 D94 L99 L100 E101M93-R97 PolarHBondContact O-N 3.13Å; D94-R97 WeakPolarHBondContact O-CB 3.44Å; D94-R97 PolarHBondContact O-N 3.43Å; D94-R97 IonicContact OD1-CZ 3.16Å; D94-R97 IonicContact OD1-NE 3.13Å; D94-R97 PolarHBondContact OD1-NE 3.33Å; D94-R97 IonicContact OD1-NH2 2.88Å; D94-R97 PolarHBondContact OD1-NH2 3.35Å; R97-L99 PolarHBondContact O-N 3.41Å; R97-L100 PolarHBondContact O-N 3.01Å; R97-E101 WeakPolarHBondContact CG-OE1 3.37Å; R97-E101 WeakPolarHBondContact O-CG 3.43Å; R97-E101 PolarHBondContact O-N 3.21Å
98R72.6Confident65.1Low164 Ų16498.8 Ų98.862%0.61947%0.469SS*.Hα-helixtrans-58.5-43177.4175.5176.5-71.3-143.9-3.4113.1D94 E95 R96 E101 Q102D94-R98 PolarHBondContact O-N 2.99Å; E95-R98 PolarHBondContact O-N 3.48Å; R96-R98 VanDerWaalsContact C-N 3.31Å; R96-R98 PolarHBondContact O-N 2.9Å; R98-E101 PolarHBondContact O-N 3.27Å; R98-Q102 WeakPolarHBondContact O-CB 3.45Å; R98-Q102 VanDerWaalsContact O-CG 3.3Å; R98-Q102 WeakPolarHBondContact O-CG 3.47Å; R98-Q102 PolarHBondContact O-N 3.02Å
99L67.9Low64.9Low94 Ų94104.4 Ų104.449%0.49249%0.491SS..Hα-helixtrans-66.1-36.3178.2-74.5168.3000112.9E95 R96 R97 K103E95-L99 HydrophobicContact CG-CD1 4.27Å; E95-L99 WeakPolarHBondContact O-CG 3.36Å; E95-L99 PolarHBondContact O-N 3.07Å; R96-L99 PolarHBondContact O-N 2.94Å; R97-L99 PolarHBondContact O-N 3.41Å; L99-K103 WeakPolarHBondContact O-CB 3.13Å; L99-K103 PolarHBondContact O-N 2.88Å
100L65.6Low64.5Low71 Ų71110 Ų11037%0.37251%0.512SS..Hα-helixtrans-69.8-39.8175.3-70.6169.7000111.8T13 R96 R97 T104T13-L100 HydrophobicContact CG2-CD1 3.75Å; R96-L100 HydrophobicContact CG-CD1 4.41Å; R96-L100 WeakPolarHBondContact O-CG 3.42Å; R96-L100 PolarHBondContact O-N 2.72Å; R97-L100 PolarHBondContact O-N 3.01Å; L100-T104 WeakPolarHBondContact O-CB 3.35Å; L100-T104 PolarHBondContact O-N 2.87Å; L100-T104 VanDerWaalsContact O-N 3.07Å; L100-T104 PolarHBondContact O-OG1 2.79Å
101E73.4Confident64.1Low104 Ų104110.7 Ų110.749%0.48651%0.512SS..Hα-helixtrans-61.3-48.5173.5-71.1163.5172.800111.3R97 R98 T104 Q105R97-E101 WeakPolarHBondContact CG-OE1 3.37Å; R97-E101 WeakPolarHBondContact O-CG 3.43Å; R97-E101 PolarHBondContact O-N 3.21Å; R98-E101 PolarHBondContact O-N 3.27Å; E101-T104 PolarHBondContact O-N 3.02Å; E101-Q105 WeakPolarHBondContact O-CG 3.44Å; E101-Q105 PolarHBondContact O-N 3.3Å
102Q72.5Confident64Low101 Ų101110 Ų11047%0.47251%0.512SS..Hα-helixtrans-59.6-49.9177-74.8174.2-6.500112.5R98 T104 Q105 E106R98-Q102 WeakPolarHBondContact O-CB 3.45Å; R98-Q102 VanDerWaalsContact O-CG 3.3Å; R98-Q102 WeakPolarHBondContact O-CG 3.47Å; R98-Q102 PolarHBondContact O-N 3.02Å; Q102-T104 PolarHBondContact O-N 3.47Å; Q102-Q105 PolarHBondContact O-N 3.06Å; Q102-Q105 VanDerWaalsContact O-N 3.16Å; Q102-E106 PolarHBondContact O-N 3.32Å
103K66.7Low63.5Low148 Ų148115.9 Ų115.964%0.64354%0.538SS*.Hα-helixtrans-61.5-32.7179.1-172.7176.4179.7-177.50112.5L99 S107L99-K103 WeakPolarHBondContact O-CB 3.13Å; L99-K103 PolarHBondContact O-N 2.88Å; K103-S107 WeakPolarHBondContact O-CB 3.49Å; K103-S107 PolarHBondContact O-N 2.88Å; K103-S107 PolarHBondContact O-OG 3.41Å
104T72.7Confident62.7Low74 Ų74119.2 Ų119.245%0.45456%0.558SS.*Hα-helixtrans-70.7-43.6175.9-56.60000111.3L100 E101 Q102 S107 Q108L100-T104 WeakPolarHBondContact O-CB 3.35Å; L100-T104 PolarHBondContact O-N 2.87Å; L100-T104 VanDerWaalsContact O-N 3.07Å; L100-T104 PolarHBondContact O-OG1 2.79Å; E101-T104 PolarHBondContact O-N 3.02Å; Q102-T104 PolarHBondContact O-N 3.47Å; T104-S107 PolarHBondContact O-N 2.97Å; T104-Q108 WeakPolarHBondContact O-CG 3.26Å; T104-Q108 PolarHBondContact O-N 3.48Å; T104-Q108 VanDerWaalsContact O-N 3.13Å
105Q66.3Low61.9Low136 Ų136123.1 Ų123.164%0.63658%0.578SS**Hα-helixtrans-63.9-44177.1-72.6177.9-0.800112.5E101 Q102 S107 Q108 K109E101-Q105 WeakPolarHBondContact O-CG 3.44Å; E101-Q105 PolarHBondContact O-N 3.3Å; Q102-Q105 PolarHBondContact O-N 3.06Å; Q102-Q105 VanDerWaalsContact O-N 3.16Å; Q105-S107 VanDerWaalsContact C-N 3.33Å; Q105-S107 PolarHBondContact O-N 2.7Å; Q105-Q108 PolarHBondContact O-N 2.91Å; Q105-K109 WeakPolarHBondContact O-CB 3.43Å; Q105-K109 PolarHBondContact O-N 2.99Å
106E60Low61.2Low153 Ų153122 Ų12272%0.71558%0.583SS**Hα-helixtrans-60.4-43.8177.4-168-176.811600111.6Q102 Q108 K109 K110Q102-E106 PolarHBondContact O-N 3.32Å; E106-Q108 VanDerWaalsContact C-N 3.29Å; E106-Q108 PolarHBondContact O-N 3.17Å; E106-K109 PolarHBondContact O-N 3.21Å; E106-K110 PolarHBondContact O-N 3.49Å; E106-K110 VanDerWaalsContact O-N 3.12Å
107S59Low60.5Low72 Ų72126.8 Ų126.850%0.50361%0.61SS.*Hα-helixtrans-65.7-28.8178.4-570000113.5K103 T104 Q105K103-S107 WeakPolarHBondContact O-CB 3.49Å; K103-S107 PolarHBondContact O-N 2.88Å; K103-S107 PolarHBondContact O-OG 3.41Å; T104-S107 PolarHBondContact O-N 2.97Å; Q105-S107 VanDerWaalsContact C-N 3.33Å; Q105-S107 PolarHBondContact O-N 2.7Å
108Q58.6Low59.5Low122 Ų122129.2 Ų129.257%0.5763%0.627SS**Hα-helixtrans-81.5-42.2175.1-71.9178.912.400111.7T104 Q105 E106 K110 K111 Q112T104-Q108 WeakPolarHBondContact O-CG 3.26Å; T104-Q108 PolarHBondContact O-N 3.48Å; T104-Q108 VanDerWaalsContact O-N 3.13Å; Q105-Q108 PolarHBondContact O-N 2.91Å; E106-Q108 VanDerWaalsContact C-N 3.29Å; E106-Q108 PolarHBondContact O-N 3.17Å; Q108-K110 VanDerWaalsContact C-N 3.28Å; Q108-K110 PolarHBondContact O-N 2.87Å; Q108-K111 PolarHBondContact O-N 3Å; Q108-Q112 PolarHBondContact O-N 2.88Å
109K58.1Low58.4Low153 Ų153132.5 Ų132.567%0.66564%0.641SS**Hα-helixtrans-59.1-40.2178.1-171.8177179.7-177.20111.8Q105 E106 K111 Q112Q105-K109 WeakPolarHBondContact O-CB 3.43Å; Q105-K109 PolarHBondContact O-N 2.99Å; E106-K109 PolarHBondContact O-N 3.21Å; K109-K111 PolarHBondContact O-N 3.14Å; K109-Q112 PolarHBondContact O-N 3.41Å
110K55.3Low57.5Low163 Ų163135.7 Ų135.771%0.70966%0.659SS**G310 helixtrans-66.3-19.3176.2-171.3166.7-178.6177.50113.9E106 Q108E106-K110 PolarHBondContact O-N 3.49Å; E106-K110 VanDerWaalsContact O-N 3.12Å; Q108-K110 VanDerWaalsContact C-N 3.28Å; Q108-K110 PolarHBondContact O-N 2.87Å
111K53.9Low56.5Low168 Ų168139.5 Ų139.573%0.7368%0.68SS**G310 helixtrans-89.7-6.4176.3-82.7-160.8167-149.80115Q108 K109Q108-K111 PolarHBondContact O-N 3Å; K109-K111 PolarHBondContact O-N 3.14Å
112Q53.5Low55Low165 Ų165140 Ų14077%0.77169%0.686SS**G310 helixtrans-107.517.4177-68.3-177.5-22.300112.1Q108 K109Q108-Q112 PolarHBondContact O-N 2.88Å; K109-Q112 PolarHBondContact O-N 3.41Å
113Q51.4Low53.6Low143 Ų143142.7 Ų142.767%0.66870%0.703SS**SBendtrans-142.527.6-175.8-155.3-179.2-2.300111.2
114D47.2Very low52.4Low134 Ų134139.7 Ų139.772%0.71770%0.701SS**SBendtrans-146.810.7-174-153.8-128000109.3
115D48.8Very low50.8Low152 Ų152141 Ų14181%0.81372%0.72SS**SBendtrans-147.932.1-167.3-161.8-125.8000109.4
116S49.2Very low49.3Very low85 Ų85139.2 Ų139.259%0.59473%0.728SS**SBendtrans-138.86.4-168.845.60000114.4
117D48.3Very low48.1Very low129 Ų129137.1 Ų137.169%0.6973%0.73SS**SBendtrans-141.328.1-160.321.7-54.1000114.5
118E49.2Very low46.9Very low182 Ų182140.4 Ų140.485%0.8575%0.747SS**  trans-150.4101.1157.5-159.7176.4136.700111.4
119Y48.7Very low45.6Very low234 Ų234138.9 Ų138.992%0.91875%0.75SS**  trans174.688.7151.1-101.3-64.6000110.2
120D48.4Very low44.3Very low160 Ų160140.9 Ų140.986%0.85676%0.759SS**  trans-153140.3167.6-158.8-138.8000107.8
121D44.8Very low43.5Very low152 Ų152140.6 Ų140.681%0.81376%0.76SS**  trans58.5148.6-166-98.6-161.5000116
122D43.5Very low43.1Very low115 Ų115138.5 Ų138.562%0.61576%0.764SS**  cis-152150.7-10.2164.7-129.2000108.4S124D122-S124 PolarHBondContact OD2-OG 3.3Å
123D41.3Very low42Very low157 Ų157137.4 Ų137.484%0.8476%0.759SS**  trans-159.1147.1133.2-172.1-143000109.7
124S42.1Very low41.6Very low84 Ų84136 Ų13659%0.58776%0.762SS**  trans-123.6146-156.5-860000115.9D122D122-S124 PolarHBondContact OD2-OG 3.3Å
125A38.6Very low40.8Very low103 Ų103136 Ų13685%0.85177%0.767SS**  trans67.6112.2153.200000121.4
126A35.2Very low40.1Very low98 Ų98137 Ų13781%0.8177%0.766SS**  trans167.6133.8136.200000110.2
127S34.6Very low40Very low108 Ų108137 Ų13776%0.75576%0.764SS**  cis-157.8158.27.3-57.70000111.2
128T34.2Very low39.2Very low141 Ų141137.7 Ų137.787%0.86576%0.763SS**  trans68.3144.3150-114.70000117.4
129S31.2Very low38.2Very low90 Ų90137.3 Ų137.363%0.62976%0.762SS**  cis-162.1177.3-11.5-165.90000110
130F30.8Very low37.4Very low195 Ų195129.9 Ų129.986%0.85576%0.756SS**  trans75122.1169.6-79.5-83.8000120.6
131Q37.8Very low36.8Very low157 Ų157132.3 Ų132.373%0.73476%0.755SS**  trans-87.5171.4166.7-127.1-171.421.700109.7
132P45.7Very low36.5Very low124 Ų124133 Ų13381%0.80576%0.757SS**  -138.5161.655.535.3-15.2000118.2
133Q32.1Very low36.5Very low142 Ų142131.9 Ų131.966%0.66476%0.755SS**  trans-67.6157.4166.8-91.7-88.6-43.700112.2
134P41.7Very low36.9Very low115 Ų115130.1 Ų130.175%0.74775%0.753SS**  -150.5146.290.236.6-17.2000118.9
135V31.4Very low36.9Very low133 Ų133134.8 Ų134.881%0.80677%0.768SS**  trans87.4148.3139.6167.60000120.3
136Q34.1Very low36.9Very low172 Ų172134.2 Ų134.280%0.80476%0.763SS**  trans-112.1-170.8-168-106.5-170.611.100110.8
137P46.5Very low36.9Very low86 Ų86138.4 Ų138.456%0.55877%0.766SS**  cis-135.7-166.9-2426.7-2.5000113.5
138Q30.5Very low37.7Very low143 Ų143138.7 Ų138.767%0.66877%0.765SS**  trans113.8121146.3-62.9-60.8-53.300120
139Q30.1Very low37.8Very low175 Ų175135.5 Ų135.582%0.81876%0.76SS**  trans68.6140.7143.7-63.5168.737.400119.6
140G32Very low38.3Very low77 Ų77139.1 Ų139.179%0.79477%0.771SS**  cis-165.3161.6-2.500000112
141Y34.4Very low39.2Very low212 Ų212135.3 Ų135.383%0.83177%0.766SS**  trans-135.9130.8-164.1-156.6-87.6000111.5P143Y141-P143 HydrophobicContact CD1-CG 4.44Å; Y141-P143 HydrophobicContact CE1-CG 4.07Å
142I38.3Very low40Very low167 Ų167133.3 Ų133.386%0.85677%0.767SS**  trans-147.9113172.8-47.2176.5000112.1
143P43.7Very low39.9Very low90 Ų90134.2 Ų134.258%0.58477%0.77SS**  trans-110.4168.2145.836.4-31.4000111.2Y141Y141-P143 HydrophobicContact CD1-CG 4.44Å; Y141-P143 HydrophobicContact CE1-CG 4.07Å
144P50.4Low40.5Very low121 Ų121133.5 Ų133.579%0.78678%0.777SS**  trans-90.9146.9-155.933.5-36.6000118
145M40.9Very low40.2Very low182 Ų182131.6 Ų131.690%0.89778%0.779SS**  trans-57.4160.4156.859.8-167.9169.200114.2
146A39.7Very low40.5Very low91 Ų91130.1 Ų130.175%0.75278%0.78SS**  cis-169.5164.9-17.100000110.6
147Q34.2Very low40.9Very low186 Ų186128.2 Ų128.287%0.86978%0.783SS**  trans-144.4143.4158.8-88.5-67.1-17.300109
148P52.8Low40.4Very low113 Ų113127.9 Ų127.973%0.73480%0.795SS**  trans-120.9121.9-161.233.3-16.1000117.5
149G35.5Very low41Very low74 Ų74129.4 Ų129.476%0.76380%0.804SS**  trans75.8164.2146.500000119.3
150L41.4Very low41.7Very low167 Ų167126.7 Ų126.787%0.87480%0.801SS**  cis-167.6173.9-13.1-90.7178000106
151P50.2Low42.5Very low114 Ų114129 Ų12974%0.7480%0.803SS**  -128.3-155.6-55.945-26.5000110.1
152P55.2Low42.7Very low116 Ų116122.6 Ų122.675%0.75380%0.801SS**  trans-124.8179.3-149.346.7-37.8000118.7
153V42.4Very low42.9Very low143 Ų143122.5 Ų122.587%0.86780%0.8SS**  trans-139.6136.6153.6-176.90000109.9
154P44.2Very low43.1Very low127 Ų127122.8 Ų122.883%0.82580%0.802SS**  trans-107.6157.8-177.137-29000114.8
155G35.8Very low43.2Very low75 Ų75123.1 Ų123.177%0.77381%0.805SS**  trans178.543.9-179.500000122.8
156A39Very low43.3Very low102 Ų102122.1 Ų122.184%0.84380%0.802SS**  trans60.2-161.3158.200000117.3
157P42.3Very low43.7Very low132 Ų132126.1 Ų126.186%0.85781%0.807SS**  -124.3155.5-113.635.2-16000117
158G34.9Very low44.2Very low78 Ų78122 Ų12280%0.80480%0.797SS**  trans-159.5151176.300000114.8
159M43.8Very low43.8Very low176 Ų176120.6 Ų120.687%0.86780%0.803SS**  trans-71.3154-175.6-71.3-100.682.700114.3
160P45Very low44.5Very low117 Ų117122.7 Ų122.776%0.7680%0.8SS**  trans-91.3133.1170.435-30.8000112.9
161P48.1Very low45Very low127 Ų127120 Ų12083%0.82579%0.793SS**  trans-127.6128.2163.635-20.8000113.3
162G38.8Very low45.3Very low77 Ų77120.7 Ų120.779%0.79480%0.797SS**  trans109.6100.4157.600000117.1
163I43.2Very low45.2Very low164 Ų164123 Ų12384%0.84180%0.802SS**  trans-131.7123.4153.1-57.4178.6000106.9
164P48Very low45.6Very low96 Ų96124.7 Ų124.762%0.62380%0.803SS**  trans-84.4142.6177.133.1-33.1000111.7
165P52.2Low45.7Very low129 Ų129124.8 Ų124.884%0.83880%0.804SS**  trans-76.4123.7173.130.5-32.5000110.8
166L41.7Very low46.5Very low161 Ų161124.9 Ų124.984%0.84381%0.805SS**  trans-110.8106.3176.4-78.6174000111.9
167M48.3Very low47.2Very low175 Ų175128.7 Ų128.786%0.86281%0.807SS**  trans-154.2159.5169.8-93.7-70.4156.200108.1
168P45.2Very low47.3Very low100 Ų100127.8 Ų127.865%0.64980%0.801SS**  cis-121.1160.8-17.834.6-19.3000112.7V170P168-V170 HydrophobicContact CG-CG2 4.44Å
169G45Very low48.4Very low83 Ų83130.2 Ų130.286%0.85680%0.803SS**  trans-83.9115175.200000112.9
170V50.7Low48.9Very low118 Ų118128.3 Ų128.372%0.71580%0.801SS**  trans-136.2124.7175.2-161.90000110.3P168P168-V170 HydrophobicContact CG-CG2 4.44Å
171P50.5Low49Very low110 Ų110131.1 Ų131.171%0.71481%0.806SS**PPolyproline II helixtrans-68.7140.2178.8-22.134.4000113.4
172P57.2Low49Very low128 Ų128131.1 Ų131.183%0.83181%0.806SS**PPolyproline II helixtrans-67140.9178.7-22.234000114.4
173L53.8Low49.2Very low165 Ų165130.8 Ų130.886%0.86480%0.803SS**PPolyproline II helixtrans-82.2146.5167.7-95.377.2000111.9
174M50.3Low49.2Very low179 Ų179131.5 Ų131.588%0.88280%0.804SS**PPolyproline II helixtrans-74.5127.9172.1-73.9-81.8-75.900111.6
175P45.4Very low49Very low129 Ų129132.1 Ų132.184%0.83881%0.808SS**PPolyproline II helixtrans-75.1133.3171.3-13.629.3000111.7
176G52.3Low48.9Very low77 Ų77132.4 Ų132.479%0.79481%0.811SS**  trans158.734.4172.600000119.2
177M53.8Low49.1Very low182 Ų182128 Ų12890%0.89780%0.804SS**  trans-128.2141.6175.4-62.5-168.476.400112
178P44.8Very low49.2Very low112 Ų112128.1 Ų128.173%0.72781%0.807SS**PPolyproline II helixtrans-75.7154-175.431.3-35.9000112.8
179P58.4Low49.2Very low130 Ų130131.2 Ų131.284%0.84481%0.813SS**PPolyproline II helixtrans-73.2139.7-174.729.5-35.3000113.2
180V53.7Low49.3Very low136 Ų136136.5 Ų136.582%0.82481%0.814SS**PPolyproline II helixtrans-89129.7170.3174.50000109.4P182V180-P182 WeakPolarHBondContact O-CD 3.42Å
181M46.8Very low48.9Very low176 Ų176139.2 Ų139.287%0.86782%0.819SS**PPolyproline II helixtrans-73.1126.1176.8-72.7-70.6-72.400111.5
182P49Very low48.4Very low127 Ų127144.4 Ų144.483%0.82583%0.825SS**PPolyproline II helixtrans-80.5132.1174.3-12.329.1000112.6V180V180-P182 WeakPolarHBondContact O-CD 3.42Å
183G42Very low47.6Very low70 Ų70147.9 Ų147.972%0.72283%0.827SS**  trans138.599.2157.100000117.4
184M44.1Very low47.2Very low178 Ų178150.1 Ų150.188%0.87783%0.825SS**  trans-160.3137.7149.3-155.858.469.200109.3
185P44.4Very low47.1Very low109 Ų109148 Ų14871%0.70882%0.822SS**  trans-82162.1-170.531.7-36.2000114.9
186P50.5Low47Very low136 Ų136151.2 Ų151.288%0.88383%0.826SS**  trans-83.9125.3-175.432.3-34.3000113.7
187G44.9Very low46.5Very low68 Ų68153 Ų15370%0.70183%0.827SS**  trans176.7154.917000000114.7
188L49.6Very low45.6Very low177 Ų177153.1 Ų153.193%0.92782%0.822SS**  trans56.868.1166.4-64.9171.4000117.9
189H45.5Very low45.2Very low166 Ų166153.1 Ų153.177%0.76982%0.824SS**  trans-13962.7153-136.576.8000113.9
190H48.3Very low44.1Very low193 Ų193150.6 Ų150.689%0.89482%0.821SS**SBendtrans-130.714.5177.8-13286.4000114.5
191Q42Very low43.8Very low176 Ų176152.2 Ų152.282%0.82282%0.82SS**  trans-141.464.5-178.2-103.6-70.414.100111.5
192R39.8Very low43.6Very low219 Ų219149.9 Ų149.983%0.82681%0.811SS**  trans-150.548.8164.2-150.3172.8-173.3165.73.5114
193K39.9Very low43.4Very low200 Ų200151 Ų15187%0.8781%0.808SS**  trans-134.164.1166.3-78.3-167.5177.2-178.20111.4
194Y46.3Very low43.6Very low213 Ų213155.6 Ų155.684%0.83581%0.813SS**SBendtrans-150.5162.7151.1-127.4-97.5000109
195T47.6Very low43.7Very low134 Ų134154.8 Ų154.882%0.82281%0.809SS**SBendtrans54.854176.472.80000117.8
196Q43.9Very low44.6Very low197 Ų197154.5 Ų154.592%0.92181%0.807SS**  trans-147.677.8142.5-162.5172.332.500112.1
197S40.8Very low44.4Very low114 Ų114156.8 Ų156.880%0.79781%0.808SS**  trans-155.693.3161.8-175.40000109.5
198F34.6Very low44.3Very low185 Ų185157.1 Ų157.181%0.81181%0.811SS**  trans-162130.6172.9-122.9-90.8000107.7
199C38.2Very low44.3Very low112 Ų112152.2 Ų152.276%0.75780%0.804SS**  cis-156.2155.6-22.657.50000109.9
200G35Very low44.5Very low77 Ų77153.2 Ų153.279%0.79481%0.811SS**SBendtrans178.9105.317100000107
201E46.7Very low44.8Very low170 Ų170152 Ų15279%0.79481%0.808SS**SBendcis-129.716315.1-121.1174.569.500112.8
202N43.2Very low45.5Very low127 Ų127149.3 Ų149.368%0.67981%0.806SS**  trans39.6111.2156.2-52.1-40.2000120.1
203I45Very low46.1Very low150 Ų150144.9 Ų144.977%0.76981%0.805SS**  179.2141120.7-92.7157.4000111.8
204M45.5Very low46.7Very low166 Ų166138.5 Ų138.582%0.81880%0.797SS**  trans-15.3145.6-179.669.5-143.2171.200122.7
205M45.5Very low47.2Very low162 Ų162135.2 Ų135.280%0.79880%0.801SS**  trans-139.2142.4158.3-79.4-69.9173.500110.6
206P63.9Low47.4Very low102 Ų102131.9 Ų131.966%0.66279%0.793SS**  trans-100.5170.7178.738.9-34.8000114
207M46.8Very low48Very low185 Ų185130.5 Ų130.591%0.91179%0.791SS**  trans70.7133.4-179.8-52.1-66.3127.700115.1
208G42.7Very low48.6Very low74 Ų74130.2 Ų130.276%0.76379%0.786SS**  cis170.6138-10.100000112.7
209G48.6Very low49.7Very low75 Ų75127.6 Ų127.677%0.77379%0.788SS**  trans95.695.5164.600000117.8
210M50.1Low50.4Low186 Ų186130.3 Ų130.392%0.91679%0.794SS**  trans-155.6156.6140.6-154.1597200109.6
211M55Low51.2Low167 Ų167135.3 Ų135.382%0.82380%0.799SS**PPolyproline II helixtrans-72.5154.6-175.1-73.2169.158.600113.9
212P56.5Low51.5Low121 Ų121133.2 Ų133.279%0.78680%0.8SS**PPolyproline II helixtrans-78.3131.8179.431.1-34.4000112.8
213P52.8Low52Low125 Ų125130.9 Ų130.981%0.81281%0.806SS**PPolyproline II helixtrans-79.6147.6164.832.6-32.7000111.5
214G52.4Low52.4Low67 Ų67132.4 Ų132.469%0.69181%0.812SS**PPolyproline II helixtrans-75168.9173.700000113.7
215P55.6Low52.6Low143 Ų143130.1 Ų130.193%0.92981%0.81SS**SBendtrans-83.6126.5-169.331.8-34.5000113.9
216G52.8Low52.9Low64 Ų64128.9 Ų128.966%0.6681%0.814SS**  trans157.3153.9164.200000114.7
217I57.1Low52.5Low168 Ų168127.1 Ų127.186%0.86281%0.814SS**  trans71.2120.4170.2-46.2166.4000115.6
218P52.4Low52.9Low109 Ų109127 Ų12771%0.70881%0.813SS**PPolyproline II helixtrans-86.6142.1168.834.3-32.2000112.1
219P57.6Low53.8Low129 Ų129128.7 Ų128.784%0.83881%0.811SS**PPolyproline II helixtrans-77.3137.3173.131.1-33.5000111.9
220L53.1Low54.5Low170 Ų170130.4 Ų130.489%0.8981%0.809SS**PPolyproline II helixtrans-83.5138.2176.8-70.1162.4000111.4P222L220-P222 WeakPolarHBondContact O-CD 3.42Å
221M52Low54.8Low182 Ų182127.6 Ų127.690%0.89780%0.804SS**PPolyproline II helixtrans-86.2119.5170.7-80.2-78.4-72.700110.8
222P52Low55.3Low125 Ų125126 Ų12681%0.81280%0.803SS**PPolyproline II helixtrans-82.8137172.2-927.5000111.7L220L220-P222 WeakPolarHBondContact O-CD 3.42Å
223G54.2Low54.9Low79 Ų79126.1 Ų126.181%0.81481%0.805SS**  trans117.141.2155.800000119.6
224M53.1Low54.4Low181 Ų181131.6 Ų131.689%0.89281%0.809SS**  trans-128.6146.3162.2-81.5178.86300111.7
225P50.8Low53.8Low119 Ų119134.6 Ų134.677%0.77382%0.816SS**  trans-74.4142.4-174.129.9-35.3000112.6
226P50.4Low53.2Low136 Ų136130.9 Ų130.988%0.88380%0.804SS**  trans-82.4131.2-179.732.5-33.1000111.5
227G55.6Low52.9Low65 Ų65136 Ų13667%0.6781%0.814SS**  trans-176.88.4-176.900000121
228M55.8Low52.5Low181 Ų181133.1 Ų133.189%0.89281%0.807SS**  trans-143.9137.5169.7-82.5-62.7155.400111.9
229P62.4Low52.1Low111 Ų111133.7 Ų133.772%0.72181%0.811SS**PPolyproline II helixtrans-82.6147177.933.3-34.2000112.3
230P62.1Low51.4Low111 Ų111136.5 Ų136.572%0.72182%0.815SS**PPolyproline II helixtrans-74.3149.4172.231.8-34.8000111.6V232P230-V232 PolarHBondContact O-N 2.84Å
231P57.3Low50.8Low126 Ų126134.4 Ų134.482%0.81881%0.809SS**PPolyproline II helixtrans-70124.2173.328.9-33.4000110.7
232V65Low50.1Low133 Ų133133.6 Ų133.681%0.80680%0.803SS**PPolyproline II helixtrans-72.2134176.2-73.40000111.5P230 R234P230-V232 PolarHBondContact O-N 2.84Å; V232-R234 PolarHBondContact O-N 3.39Å
233P48.9Very low49.3Very low125 Ų125132.4 Ų132.481%0.81280%0.804SS**PPolyproline II helixtrans-65.3124.6170.1-18.731.7000110.4
234R41.6Very low48.3Very low240 Ų240136.8 Ų136.891%0.90680%0.803SS**PPolyproline II helixtrans-81.3124.9175-167.2171.9-175.3169.11.3109.6V232V232-R234 PolarHBondContact O-N 3.39Å
235P39.5Very low47.3Very low129 Ų129132.7 Ų132.784%0.83880%0.798SS**PPolyproline II helixtrans-66.4139.3-175-23.334.1000114.2
236G43.8Very low46.5Very low66 Ų66133.9 Ų133.968%0.6880%0.803SS**  trans159.8136167.900000113.4
237I47.1Very low45.9Very low170 Ų170132.8 Ų132.887%0.87280%0.798SS**  trans78.3124.3176.8-49.8169.2000114.2
238P47.8Very low44.8Very low108 Ų108134 Ų13470%0.70180%0.802SS**  trans-88.2160.8-172.935.5-36.9000114.5
239P44.4Very low44.4Very low122 Ų122131.5 Ų131.579%0.79280%0.799SS**  trans-76.7152.2172.533.4-35.5000112.3
240M43.2Very low43Very low187 Ų187129.2 Ų129.292%0.92180%0.796SS**  trans-117.3148171.7-78.5-80.7-88.900110.5
241T39.6Very low41.7Very low127 Ų127131.4 Ų131.478%0.77980%0.8SS**  trans-98.1148.2-149.8-51.50000115.4
242Q37.9Very low40.6Very low165 Ų165132.4 Ų132.477%0.77180%0.797SS**  trans-29.2134.8157170.5-169.342.800116.1
243A34.3Very low39Very low99 Ų99132.3 Ų132.382%0.81879%0.792SS**  trans-153.5153.8150.500000109.9
244Q33.3Very low38.4Very low172 Ų172137.2 Ų137.280%0.80480%0.795SS**  trans-126.9147.6-177.3-72.2-179.2-99.800112.9
245A33.3Very low39Very low94 Ų94130.5 Ų130.578%0.77778%0.782SS**  trans61.8147148.900000120.9
246V34.1Very low39.6Very low145 Ų145130.3 Ų130.388%0.87978%0.781SS**  179.9170.5122.8150.20000109.3
247S36.3Very low39.2Very low113 Ų113131.3 Ų131.379%0.7978%0.783SS**  trans-83.1168.6-161.350.90000118.1
248A33Very low39.1Very low89 Ų89128.7 Ų128.774%0.73678%0.777SS**  trans-85.2-165.5168.700000111.7
249P48.1Very low38.4Very low130 Ų130129.5 Ų129.584%0.84478%0.78SS**  cis-133.9177.7-11.441.6-25.4000115.3
250G33.4Very low38.2Very low63 Ų63128 Ų12865%0.64978%0.778SS**  trans168.4121159.500000123.1
251I34.5Very low37.6Very low157 Ų157125.9 Ų125.981%0.80578%0.775SS**  trans48.3129.913815.7-82.2000127.2
252L33Very low37.5Very low146 Ų146126.2 Ų126.276%0.76478%0.777SS**  trans80.9118.7131.2-126.584.6000126.8
253N31.3Very low38.2Very low131 Ų131124.3 Ų124.370%0.70178%0.779SS**  trans44.9115.6136.3-69-10.5000127.2
254R37.4Very low38.2Very low229 Ų229123.7 Ų123.786%0.86477%0.774SS**  71.2175.3107-128.8-163.2178.8-147.3-0.5120.7
255P54Low39Very low98 Ų98121.3 Ų121.364%0.63677%0.774SS**  -113.4-151.2-105.646.1-29.2000113.2
256P52.5Low39.2Very low125 Ų125125.1 Ų125.181%0.81278%0.775SS**  cis-134-162.4-8.441.7-20.4000116
257A34.8Very low40.5Very low88 Ų88123.5 Ų123.573%0.72777%0.768SS**  trans-93.6-178.7178.900000114.1
258P45.9Very low41.6Very low114 Ų114123.7 Ų123.774%0.7477%0.766SS**  -160.9172.487.842.3-21000120.9
259T32.9Very low41.9Very low126 Ų126125.7 Ų125.777%0.77377%0.769SS**  trans66.3110.3144.1450000127.1
260A39.8Very low41.1Very low90 Ų90126 Ų12674%0.74477%0.769SS**  61.4139.3112.800000125.9
261T29.8Very low41.3Very low142 Ų142132.4 Ų132.487%0.87178%0.779SS**  trans179.7161.1133.1-73.60000112.1
262V37.9Very low42.3Very low134 Ų134131.1 Ų131.181%0.81278%0.78SS**  trans-147.5141.6-169.8163.30000110.9
263P52.3Low42.5Very low126 Ų126131.7 Ų131.782%0.81878%0.784SS**  -155.8-178.7109.739.4-18.4000117.4
264A35.5Very low42.9Very low86 Ų86134.3 Ų134.371%0.71179%0.789SS**  trans-134.9179.4-178.600000112.9
265P49.1Very low43.4Very low122 Ų122129.8 Ų129.879%0.79279%0.789SS**  -142.5157.1128.831.9-14.7000117
266Q38.3Very low42.5Very low173 Ų173130.8 Ų130.881%0.80880%0.799SS**  trans-153.5126.3-172-75.1-65.3-9100116.3
267P60.2Low41.5Very low111 Ų111129.7 Ų129.772%0.72180%0.8SS**  trans-115.9-164.3149.841.8-31.9000109.9
268P59.1Low41.4Very low118 Ų118128.8 Ų128.877%0.76680%0.8SS**  cis-127.3-100.4-6.937.6-15.9000114.1
269V39.7Very low40.8Very low131 Ų131132.5 Ų132.579%0.79481%0.807SS**  trans-157.8162.1-163.7-95.50000111.6
270T32.6Very low40.9Very low136 Ų136134.9 Ų134.983%0.83481%0.811SS**  cis-134.3177.732.740.20000116.5
271K37.7Very low40.5Very low198 Ų198134.1 Ų134.186%0.86181%0.813SS**  trans-139.2158.1-179.1-90.4-178.8178.4176.20110.1
272P54.2Low40.8Very low129 Ų129134 Ų13484%0.83881%0.812SS**  -142.6-158.272.926.8-1.6000113.6
273L37.3Very low41.3Very low159 Ų159132.8 Ų132.883%0.83281%0.807SS**  -162.8-178-59.5-170.649.7000109.5
274F39Very low40.4Very low185 Ų185133 Ų13381%0.81181%0.806SS**  trans-113.3175.3-179.3-66.4-92.6000113
275P48.6Very low40Very low134 Ų134134.7 Ų134.787%0.8781%0.807SS**  -141.2-166.384.736.6-17.6000115.1
276S34.8Very low39.2Very low120 Ų120133.9 Ų133.984%0.83981%0.805SS**  trans-147.7-176.8-166-171.30000113.7
277A32.4Very low39Very low101 Ų101130.6 Ų130.684%0.83580%0.8SS**  trans74.4156.8-177.500000116.5
278G33.3Very low37.7Very low70 Ų70130.9 Ų130.972%0.72281%0.805SS**  cis162.9170.6-9.700000114.1
279Q32.8Very low36.4Very low192 Ų192131.6 Ų131.690%0.89781%0.807SS**  trans77175.8171.3-66.6-159.361.200120
280M33.5Very low36Very low175 Ų175129.4 Ų129.486%0.86280%0.803SS**  trans-110.7162.5-152.366.4-166.5-178.500114
281G32.9Very low35.9Very low75 Ų75128.4 Ų128.477%0.77380%0.802SS**  trans161.4130.5161.800000115
282T36.4Very low35.7Very low138 Ų138123.9 Ų123.985%0.84780%0.795SS**  trans-123.2152.4161.757.70000108.1
283P46.6Very low34.7Very low110 Ų110125.4 Ų125.471%0.71480%0.796SS**  -155.5150.6100.739.7-20.8000118
284V33.7Very low34.5Very low131 Ų131122.4 Ų122.479%0.79479%0.789SS**  trans59.8138.9142.6-54.10000125.8
285T28.5Very low34.2Very low121 Ų121121.4 Ų121.474%0.74279%0.787SS**  trans81107.4145.4-52.20000122.7
286S32.2Very low33.5Very low105 Ų105120.5 Ų120.573%0.73478%0.783SS**  19.3152.2127.3-26.10000121.8
287S33Very low33.6Very low103 Ų103121.8 Ų121.872%0.7278%0.78SS**  cis-159.1162.420.7-55.70000113.9
288S34.2Very low33.6Very low117 Ų117122.8 Ų122.882%0.81878%0.781SS**  trans71.3155.5155.9-46.90000117.5
289T31.3Very low33.6Very low133 Ų133124.1 Ų124.182%0.81679%0.785SS**  cis-145.516312.949.30000113.9
290A30.1Very low33.5Very low86 Ų86120.5 Ų120.571%0.71178%0.781SS**  trans85.4117.7144.900000122.8
291S31.8Very low33.9Very low115 Ų115117 Ų11780%0.80477%0.774SS**  trans56.5142.5134.9-43.90000121.1
292S33.8Very low34.2Very low103 Ų103122.9 Ų122.972%0.7278%0.778SS**  cis-156.2147.629.5-46.90000115.2
293N32.7Very low34.1Very low160 Ų160120.6 Ų120.686%0.85677%0.773SS**  trans42.6124.5142.9-59.9-1.8000123.3
294S33.4Very low33.4Very low97 Ų97123.4 Ų123.468%0.67878%0.781SS**  trans-82.8-173.1143.963.60000110.1
295E31.9Very low34.1Very low164 Ų164126.5 Ų126.577%0.76678%0.784SS**  cis-158.1-1806.8-143.9151115.700109
296S34.1Very low35.1Very low114 Ų114126.6 Ų126.680%0.79779%0.787SS**  trans-125.6129.7177.7-176.90000112.2
297L35.8Very low35.1Very low148 Ų148126.6 Ų126.678%0.77579%0.787SS**  trans-149.6143.8-174.7-81.3-180000116.1
298S32.9Very low35Very low122 Ų122128.4 Ų128.485%0.85379%0.794SS**  trans82157.1146.1-64.50000121.4
299A34Very low34.9Very low98 Ų98126.6 Ų126.681%0.8179%0.786SS**  trans-150161.8-161.600000115
300S31.3Very low34.9Very low115 Ų115129.2 Ų129.280%0.80479%0.789SS**  trans-178.6159.8167.7-94.70000111.1
301S42.2Very low34.9Very low102 Ų102129.4 Ų129.471%0.71379%0.79SS**  cis-165.7137.9-14.5-103.80000113.1
302K37.4Very low34.9Very low198 Ų198133.2 Ų133.286%0.86180%0.795SS**  trans66.196.1135-154.2172-174.4178.90124
303A35.4Very low34.9Very low90 Ų90132.8 Ų132.874%0.74480%0.798SS**  57.4129.1128.100000125.5
304L31.4Very low34.8Very low170 Ų170129.6 Ų129.689%0.8979%0.794SS**  -166.9171.7119.9-134.869.6000113.5
305F47.7Very low34.8Very low195 Ų195130.5 Ų130.586%0.85580%0.795SS**  trans-126170.1177.2-87.7-67.8000109.2
306P50.9Low34.9Very low124 Ų124131.8 Ų131.881%0.80580%0.801SS**  cis-147.2-154.835.244.2-20.9000117.6
307S31.7Very low34.9Very low104 Ų104129.6 Ų129.673%0.72780%0.797SS**  trans-84.1-172.3-160.2-43.50000119.4
308T30.5Very low35.7Very low142 Ų142128.2 Ų128.287%0.87180%0.797SS**  trans95.6153.4167.770.40000116.6
309A32.7Very low35.8Very low78 Ų78129.6 Ų129.665%0.64580%0.8SS**  cis-166.9169.5-30.500000109.9
310Q31.1Very low35.9Very low188 Ų188128.6 Ų128.688%0.87980%0.799SS**  trans25.5126157.8-68.1166.8-71.500120.4
311A30.9Very low36.2Very low90 Ų90129.8 Ų129.874%0.74480%0.802SS**  cis100.513848.600000115.4
312Q31Very low35.9Very low195 Ų195131.5 Ų131.591%0.91180%0.803SS**  trans80.7124.3159.6-71.7-175.8-2600123.7
313A33.8Very low35.8Very low94 Ų94131.7 Ų131.778%0.77780%0.804SS**  108.4123.4123.500000123.6
314A31.6Very low36.3Very low93 Ų93136.4 Ų136.477%0.76981%0.808SS**  trans71.1167.7147.900000118.3
315V33.3Very low37.4Very low116 Ų116133.2 Ų133.270%0.70380%0.797SS**  cis-152144.224.2-177.80000113.7
316Q33Very low36.8Very low191 Ų191131.3 Ų131.389%0.89380%0.795SS**  trans70.6156.6156.3-77.4162.434.600124.2
317G33.6Very low35.9Very low69 Ų69132.1 Ų132.171%0.71179%0.793SS**  trans-113.5-142.6178.900000113
318P54Low35.9Very low119 Ų119131.8 Ų131.877%0.77379%0.79SS**  -154.3-175.751.740.8-17.9000118.9
319V33.8Very low36Very low150 Ų150131.4 Ų131.491%0.90979%0.788SS**  trans58.1133160.4-660000123.7
320G36.2Very low36.3Very low78 Ų78133.8 Ų133.880%0.80480%0.797SS**  trans-178.5129.6162.800000109.6
321T37.7Very low36.4Very low140 Ų140129.4 Ų129.486%0.85979%0.793SS**  trans-101129.7-160.949.20000116.4
322D37.2Very low36.2Very low137 Ų137131.4 Ų131.473%0.73380%0.796SS**  trans52.3117.8132.2-141.8-56.3000121.7
323F33.8Very low36.2Very low203 Ų203128 Ų12889%0.8979%0.789SS**  trans-165153.1132.4-104.6-68.7000110.7
324K46.7Very low36.2Very low189 Ų189129.9 Ų129.982%0.82279%0.791SS**  trans-165.1169.6-172.5-104-178.1176.8171.60110.3
325P54.2Low36.2Very low102 Ų102134 Ų13466%0.66279%0.794SS**  cis-133.2-164.1-42.430.6-8.4000112.4
326L34.5Very low36.7Very low155 Ų155134.1 Ų134.181%0.81280%0.797SS**  trans110108.9151.6-59.1177.4000120.3
327N32Very low37.5Very low141 Ų141131.5 Ų131.575%0.75480%0.797SS**  46.3113.6121.3-171.152.2000121.1
328S31.4Very low37.5Very low97 Ų97137.6 Ų137.668%0.67880%0.804SS**  176.7146.9112.9-760000113.1
329T33.6Very low37.2Very low134 Ų134136.8 Ų136.882%0.82280%0.799SS**  trans-76152.9158.248.30000111
330P39Very low37.1Very low129 Ų129135.5 Ų135.584%0.83879%0.791SS**  -134.8167.6114.438-29.9000113.2
331A32.1Very low37Very low95 Ų95141.3 Ų141.379%0.78580%0.795SS**  trans-106.4156.4178.400000111.9
332T28.7Very low37.3Very low133 Ų133140.6 Ų140.682%0.81679%0.793SS**  trans-173.7129.5139.6-790000111.5
333T30.3Very low36.8Very low124 Ų124138.7 Ų138.776%0.76180%0.796SS**  trans21127150-51.80000122
334T34.3Very low36.7Very low133 Ų133139.1 Ų139.182%0.81679%0.793SS**  -165.5159.2115.5-69.10000110.1
335E31.5Very low36.1Very low179 Ų179134.7 Ų134.784%0.83678%0.782SS**  trans-73154.6-164.6-67.6169.372.900117.9
336P43.4Very low35Very low118 Ų118137.7 Ų137.777%0.76679%0.787SS**  trans-114.2140.2163.337.8-27.6000114.3
337P49.9Very low34.9Very low136 Ų136135.4 Ų135.488%0.88378%0.784SS**  trans-89.2140.917532.8-33.2000115.1
338K32.8Very low34.7Very low197 Ų197136.1 Ų136.186%0.85779%0.794SS**  trans-160174171.5-135.8-160.9170-178.60105.7
339P47.6Very low34.7Very low103 Ų103135.9 Ų135.967%0.66980%0.797SS**  cis-112.1-140.1-13.5251.1000109.9
340T32.2Very low34.5Very low123 Ų123134.8 Ų134.876%0.75580%0.795SS**  cis-159.5158.110.8-26.80000111.6
341F33.5Very low34Very low199 Ų199135.9 Ų135.987%0.87380%0.8SS**  trans-73.7156.2158.8-67.1-106.5000111.1
342P45.2Very low34Very low126 Ų126137.4 Ų137.482%0.81880%0.8SS**  trans-96155.7155.836.4-30.2000111.9
343A26.5Very low34.1Very low96 Ų96137.2 Ų137.279%0.79380%0.804SS**  trans-142.7154.2169.300000111.1
344Y31.5Very low34.1Very low213 Ų213137 Ų13784%0.83580%0.802SS**  trans84.3152.7155-154.1-121.7000120.9
345T33Very low33.9Very low96 Ų96137.4 Ų137.459%0.58981%0.805SS**  trans73.291162.821.20000123
346Q32.5Very low34.1Very low165 Ų165135.6 Ų135.677%0.77180%0.801SS**  59.1106.8105.6-159.416932.300122.6
347S31.7Very low33.7Very low107 Ų107134.7 Ų134.775%0.74880%0.797SS**  trans53123.1133.7-51.30000123.6
348T28.4Very low32.7Very low156 Ų156134.3 Ų134.396%0.95779%0.793SS**  trans-146.3169.1136.714.80000108.8
349A30.4Very low32.7Very low91 Ų91129.7 Ų129.775%0.75279%0.791SS**  trans-126.6158-161.700000115.9
350S30.8Very low32Very low112 Ų112129.4 Ų129.478%0.78380%0.798SS**  trans69.1108.5154.5-57.80000120.4
351T27.9Very low32.3Very low151 Ų151132.2 Ų132.293%0.92680%0.799SS**  -160.5160119.76.40000112.1
352T30.9Very low33Very low128 Ų128128.7 Ų128.779%0.78580%0.797SS**  trans-99.2142.2-169.344.50000114.4
353S32.5Very low32.4Very low129 Ų129126.1 Ų126.190%0.90279%0.786SS**  trans-143.4136.8157.4-710000109.9
354T29.1Very low32.6Very low118 Ų118126.3 Ų126.372%0.72479%0.787SS**  trans-130.8126.3-174.3-61.90000111.5
355T31Very low32.6Very low142 Ų142121.4 Ų121.487%0.87178%0.784SS**  trans-143.3102.316351.10000112.8
356N34.7Very low32.8Very low141 Ų141124.9 Ų124.975%0.75480%0.798SS**  trans-28.3157151.2-63-5000115.8
357S35Very low33.1Very low100 Ų100123.6 Ų123.670%0.69980%0.801SS**  cis-165-140.6-11.4-90.40000107.1
358T30.3Very low33.4Very low128 Ų128124 Ų12479%0.78580%0.804SS**  cis-165.5126.311.5-49.90000112.9
359A32.6Very low33.8Very low100 Ų100125.7 Ų125.783%0.82680%0.798SS**  trans65154.8157.900000119.6
360A31.9Very low34.2Very low97 Ų97127.7 Ų127.780%0.80280%0.803SS**  cis-138.1162.813.100000115.5
361K38.6Very low34.4Very low181 Ų181126.7 Ų126.779%0.78780%0.802SS**  trans-47.6161.1175.8-96.1-173.3171.2-178.60115.2A363K361-A363 HydrophobicContact CD-CB 4.03Å; K361-A363 HydrophobicContact CG-CB 3.81Å
362P48Very low34.8Very low126 Ų126126.3 Ų126.382%0.81880%0.8SS**  cis-85170.514.8-11.230.6000114.8
363A32.7Very low35.2Very low72 Ų72128.2 Ų128.260%0.59580%0.804SS**  cis72.4150.3-0.700000119.2K361K361-A363 HydrophobicContact CD-CB 4.03Å; K361-A363 HydrophobicContact CG-CB 3.81Å
364A31.7Very low35.3Very low99 Ų99128.4 Ų128.482%0.81880%0.8SS**  cis-140.5-174.4-5.400000107.5
365S30.6Very low35.8Very low111 Ų111127.9 Ų127.978%0.77680%0.797SS**  cis-147.1173.56.859.60000110.2
366I37.1Very low36.4Very low169 Ų169127.3 Ų127.387%0.86779%0.793SS**  trans-154.3161-166.547.8172.3000114.2
367T39.9Very low36.9Very low137 Ų137125 Ų12584%0.8479%0.788SS**  trans-59.2151.1169.8-61.10000115.1
368S37.7Very low37.8Very low116 Ų116125.8 Ų125.881%0.81180%0.8SS**  trans-152.1160.5155.1580000113.9
369K36.1Very low38.9Very low192 Ų192126 Ų12684%0.83580%0.802SS**  trans-92.1157.3-174.3-56.9165.9-175.3175.30111.6
370P38.9Very low39.7Very low133 Ų133125.3 Ų125.386%0.86479%0.791SS**  trans-70.4149.1170.230.9-35.1000111.7
371A34.9Very low41Very low91 Ų91129.9 Ų129.975%0.75279%0.793SS**  trans-128.8140.4177.300000110.9
372T37.5Very low41.8Very low143 Ų143127.5 Ų127.588%0.87779%0.788SS**  trans-65.7134.3-179.2-47.20000111.9
373L38.7Very low42.2Very low168 Ų168128.8 Ų128.888%0.8879%0.786SS**  trans-132.5136.5170.2-73.6177.7000111.9
374T35Very low43Very low133 Ų133131.3 Ų131.382%0.81679%0.786SS**  trans-80.1138.1-179.8-50.70000111
375T39.1Very low44.4Very low107 Ų107130.5 Ų130.566%0.65677%0.772SS**  trans-102.4123.8-179.9-171.30000112.9
376T44Very low45.6Very low129 Ų129132.5 Ų132.579%0.79177%0.774SS**  trans-15087.2171-49.20000111.2
377S44.6Very low46.4Very low94 Ų94132.3 Ų132.366%0.65777%0.769SS**  trans-172.4138152.344.20000112.2T379S377-T379 VanDerWaalsContact C-N 3.35Å; S377-T379 PolarHBondContact O-N 3.37Å
378A54Low47Very low115 Ų115131 Ų13195%0.9576%0.757SS**THydrogen-bonded Turntrans-85.660.3-169.200000114.1
379T53.6Low47.9Very low134 Ų134128.7 Ų128.782%0.82274%0.735SS**THydrogen-bonded Turntrans-160.78161.2-1620000114.5S377 K381S377-T379 VanDerWaalsContact C-N 3.35Å; S377-T379 PolarHBondContact O-N 3.37Å; T379-K381 PolarHBondContact O-N 3.23Å
380S49.4Very low49.2Very low85 Ų85122.7 Ų122.759%0.59472%0.717SS**  trans-82.5113.8179.6-167.30000111.8L382S380-L382 PolarHBondContact O-N 3.18Å
381K58.3Low50.2Low192 Ų192122.5 Ų122.584%0.83571%0.708SS**  trans-74.7104.8165.4-76.5-173.7176.9-178.30108.9T379 I383T379-K381 PolarHBondContact O-N 3.23Å; K381-I383 PolarHBondContact O-N 3.24Å
382L55.2Low51.5Low131 Ų131124 Ų12469%0.68670%0.7SS**  trans-64.695.3167.4-82.8152.5000109.5S380 H384S380-L382 PolarHBondContact O-N 3.18Å; L382-H384 PolarHBondContact O-N 3.21Å
383I58Low53.2Low153 Ų153122.1 Ų122.179%0.78568%0.681SS**  trans-74.7103.1164.4-60.4171.3000106K381K381-I383 PolarHBondContact O-N 3.24Å
384H48.8Very low54.7Low126 Ų126121.2 Ų121.258%0.58367%0.666SS**  trans-65.4141.2161.5-80.2-106.9000108.4L382 D388L382-H384 PolarHBondContact O-N 3.21Å; H384-D388 IonicContact ND1-OD2 2.68Å; H384-D388 PolarHBondContact ND1-OD2 3.03Å; H384-D388 VanDerWaalsContact ND1-OD2 3.16Å
385P60.9Low56.2Low81 Ų81120.3 Ų120.353%0.52665%0.647SS.*  trans-62.7142.2172.228.7-34.1000109.7E387 D388P385-E387 PolarHBondContact O-N 3.42Å; P385-D388 WeakPolarHBondContact O-CB 3.43Å; P385-D388 PolarHBondContact O-N 3.12Å
386D55.1Low57.6Low154 Ų154117.6 Ų117.682%0.82464%0.636SS**THydrogen-bonded Turntrans-64.5-6.6-175.331.2-63.3000114.9
387E55.3Low58.8Low165 Ų165118 Ų11877%0.77163%0.629SS**THydrogen-bonded Turntrans-75.5-17.7170.3-69.1-81.286.600113.7P385 I389P385-E387 PolarHBondContact O-N 3.42Å; E387-I389 PolarHBondContact O-N 3.36Å
388D51.1Low60.1Low110 Ų110117.5 Ų117.559%0.58862%0.618SS**  trans-76.746.1-178.3-119.9-5000112H384 P385 S390H384-D388 IonicContact ND1-OD2 2.68Å; H384-D388 PolarHBondContact ND1-OD2 3.03Å; H384-D388 VanDerWaalsContact ND1-OD2 3.16Å; P385-D388 WeakPolarHBondContact O-CB 3.43Å; P385-D388 PolarHBondContact O-N 3.12Å; D388-S390 PolarHBondContact O-N 3Å
389I57Low60.5Low66 Ų66117.1 Ų117.134%0.33861%0.606SS.*  trans-60.2108177.7-56.5173.1000109E387 L391 E393 R394E387-I389 PolarHBondContact O-N 3.36Å; I389-L391 PolarHBondContact O-N 2.84Å; I389-E393 HydrophobicContact CG2-CB 4.25Å; I389-E393 HydrophobicContact CG2-CG 4.46Å; I389-R394 HydrophobicContact CG2-CB 4.45Å
390S63.2Low61.1Low67 Ų67120.1 Ų120.147%0.46961%0.608SS.*  trans-49.7137.9-179.2176.60000111.9D388 E392 E393 R394D388-S390 PolarHBondContact O-N 3Å; S390-E392 PolarHBondContact O-N 3.46Å; S390-E392 PolarHBondContact OG-N 3.4Å; S390-E393 PolarHBondContact O-N 3.09Å; S390-R394 PolarHBondContact O-N 3.31Å; S390-R394 VanDerWaalsContact O-N 3.07Å
391L61.1Low61.4Low129 Ų129122.7 Ų122.768%0.67561%0.606SS**THydrogen-bonded Turntrans-59.1-16.7176.3-67.4176.5000113.1I389 R395I389-L391 PolarHBondContact O-N 2.84Å; L391-R395 PolarHBondContact O-NH2 3.01Å
392E62.3Low61.8Low121 Ų121120.5 Ų120.557%0.56560%0.598SS**THydrogen-bonded Turntrans-78.1-43.6172.7-142.880.4138.400111.7S390 R395 A396S390-E392 PolarHBondContact O-N 3.46Å; S390-E392 PolarHBondContact OG-N 3.4Å; E392-R395 WeakPolarHBondContact O-CA 3.4Å; E392-R395 VanDerWaalsContact O-CB 3.32Å; E392-R395 WeakPolarHBondContact O-CB 3.34Å; E392-R395 PolarHBondContact O-N 3.33Å; E392-R395 VanDerWaalsContact O-N 3.14Å; E392-R395 IonicContact OE2-CZ 3.98Å; E392-R395 IonicContact OE2-NH1 2.69Å; E392-R395 PolarHBondContact OE2-NH1 2.96Å; E392-R395 IonicContact OE2-NH2 3.93Å; E392-R395 PolarHBondContact OE2-NH2 2.93Å; E392-A396 PolarHBondContact O-N 3.16Å
393E72.1Confident61.8Low104 Ų104123.6 Ų123.649%0.48660%0.601SS.*Hα-helixtrans-68.1-44179.8-170.8-174.2148.700111.4I389 S390 R395 A396 Q397I389-E393 HydrophobicContact CG2-CB 4.25Å; I389-E393 HydrophobicContact CG2-CG 4.46Å; S390-E393 PolarHBondContact O-N 3.09Å; E393-R395 PolarHBondContact O-N 2.84Å; E393-R395 VanDerWaalsContact O-N 3.16Å; E393-A396 WeakPolarHBondContact O-CB 3.47Å; E393-A396 PolarHBondContact O-N 3.14Å; E393-Q397 PolarHBondContact O-N 3.07Å; E393-Q397 VanDerWaalsContact O-N 3.09Å
394R70.3Confident61.8Low149 Ų149123.4 Ų123.456%0.56260%0.602SS**Hα-helixtrans-60.1-25.5172.8-163.8-179.9-60.5-150.70.4112.2I389 S390I389-R394 HydrophobicContact CG2-CB 4.45Å; S390-R394 PolarHBondContact O-N 3.31Å; S390-R394 VanDerWaalsContact O-N 3.07Å
395R67.5Low61.8Low114 Ų114123.9 Ų123.943%0.4361%0.608SS.*Hα-helixtrans-78.2-42171.8-125.6176.8-66127.513.7111.5L391 E392 E393 Q397 L398 Y401L391-R395 PolarHBondContact O-NH2 3.01Å; E392-R395 WeakPolarHBondContact O-CA 3.4Å; E392-R395 VanDerWaalsContact O-CB 3.32Å; E392-R395 WeakPolarHBondContact O-CB 3.34Å; E392-R395 PolarHBondContact O-N 3.33Å; E392-R395 VanDerWaalsContact O-N 3.14Å; E392-R395 IonicContact OE2-CZ 3.98Å; E392-R395 IonicContact OE2-NH1 2.69Å; E392-R395 PolarHBondContact OE2-NH1 2.96Å; E392-R395 IonicContact OE2-NH2 3.93Å; E392-R395 PolarHBondContact OE2-NH2 2.93Å; E393-R395 PolarHBondContact O-N 2.84Å; E393-R395 VanDerWaalsContact O-N 3.16Å; R395-Q397 VanDerWaalsContact C-N 3.26Å; R395-Q397 PolarHBondContact O-N 2.94Å; R395-L398 WeakPolarHBondContact O-CB 3.32Å; R395-L398 PolarHBondContact O-N 3.34Å; R395-L398 VanDerWaalsContact O-N 3.12Å; R395-Y401 HydrophobicContact CG-CD2 4.27Å; R395-Y401 HydrophobicContact CG-CE2 4.19Å; R395-Y401 WeakPolarHBondContact O-CD2 3.48Å
396A68.5Low61Low51 Ų51125.1 Ų125.142%0.42162%0.616SS.*Hα-helixtrans-62-27.7178.600000114E392 E393 L398E392-A396 PolarHBondContact O-N 3.16Å; E393-A396 WeakPolarHBondContact O-CB 3.47Å; E393-A396 PolarHBondContact O-N 3.14Å; A396-L398 PolarHBondContact O-N 3Å
397Q68.4Low60.3Low136 Ų136129 Ų12964%0.63662%0.619SS**THydrogen-bonded Turntrans-71.7-10175-66.9-179.716.900114.4E393 R395E393-Q397 PolarHBondContact O-N 3.07Å; E393-Q397 VanDerWaalsContact O-N 3.09Å; R395-Q397 VanDerWaalsContact C-N 3.26Å; R395-Q397 PolarHBondContact O-N 2.94Å
398L71.6Confident59.5Low84 Ų84127.3 Ų127.344%0.4462%0.622SS.*SBendtrans-77.2136.9173-65.5169.7000110.3R395 A396 K400 Y401 Q402R395-L398 WeakPolarHBondContact O-CB 3.32Å; R395-L398 PolarHBondContact O-N 3.34Å; R395-L398 VanDerWaalsContact O-N 3.12Å; A396-L398 PolarHBondContact O-N 3Å; L398-K400 PolarHBondContact O-N 3.16Å; L398-Y401 HydrophobicContact CB-CD2 4.11Å; L398-Y401 HydrophobicContact CD1-CD2 4.22Å; L398-Y401 HydrophobicContact CD1-CE2 4.28Å; L398-Y401 PolarHBondContact O-N 2.88Å; L398-Q402 PolarHBondContact O-N 3.01Å
399P62.9Low59.2Low107 Ų107125.4 Ų125.470%0.69563%0.629SS**G310 helixtrans-54.9-26.9-177.3-29.635.6000115.5Y401P399-Y401 VanDerWaalsContact C-N 3.27Å; P399-Y401 PolarHBondContact O-N 2.99Å
400K67.1Low58.3Low197 Ų197131.8 Ų131.886%0.85766%0.657SS**G310 helixtrans-70.9-17.2175.8-67-171.2177-175.20114.3L398L398-K400 PolarHBondContact O-N 3.16Å
401Y55.8Low57Low140 Ų140132.9 Ų132.955%0.54967%0.671SS.*G310 helixtrans-117.79.3-179.8-59.3-63.4000112.7R395 L398 P399 R403R395-Y401 HydrophobicContact CG-CD2 4.27Å; R395-Y401 HydrophobicContact CG-CE2 4.19Å; R395-Y401 WeakPolarHBondContact O-CD2 3.48Å; L398-Y401 HydrophobicContact CB-CD2 4.11Å; L398-Y401 HydrophobicContact CD1-CD2 4.22Å; L398-Y401 HydrophobicContact CD1-CE2 4.28Å; L398-Y401 PolarHBondContact O-N 2.88Å; P399-Y401 VanDerWaalsContact C-N 3.27Å; P399-Y401 PolarHBondContact O-N 2.99Å; Y401-R403 PolarHBondContact O-N 2.68Å
402Q65.8Low56.1Low146 Ų146133 Ų13368%0.68268%0.679SS**  trans-71.573.3174.2-167.3171.220.300110.5L398 N404L398-Q402 PolarHBondContact O-N 3.01Å; Q402-N404 PolarHBondContact O-N 2.93Å; Q402-N404 VanDerWaalsContact O-N 3.16Å
403R55.9Low55.1Low195 Ų195135.1 Ų135.174%0.73669%0.692SS**  trans-63.2112.8174.1173.6-174151.3102.1-0.6108.5Y401 L405Y401-R403 PolarHBondContact O-N 2.68Å; R403-L405 HydrophobicContact CB-CD1 4.5Å; R403-L405 HydrophobicContact CG-CD1 4.04Å; R403-L405 PolarHBondContact O-N 3.16Å
404N57.3Low53.4Low150 Ų150133.4 Ų133.480%0.80270%0.702SS**  trans-52.1106.9168.9-69.7-34.6000109.6Q402 P406Q402-N404 PolarHBondContact O-N 2.93Å; Q402-N404 VanDerWaalsContact O-N 3.16Å; N404-P406 WeakPolarHBondContact O-CD 3.43Å
405L48.7Very low51.8Low135 Ų135133.9 Ų133.971%0.70772%0.716SS**PPolyproline II helixtrans-87.8118.8177.4-115.469.3000109R403R403-L405 HydrophobicContact CB-CD1 4.5Å; R403-L405 HydrophobicContact CG-CD1 4.04Å; R403-L405 PolarHBondContact O-N 3.16Å
406P44.4Very low50.8Low108 Ų108133.9 Ų133.970%0.70173%0.731SS**PPolyproline II helixtrans-63.1139.6169.1-19.933.4000110.1N404N404-P406 WeakPolarHBondContact O-CD 3.43Å
407R40.3Very low50Low234 Ų234137.5 Ų137.588%0.88375%0.75SS**PPolyproline II helixtrans-57136.3171.5-164.4173.1-177.3-130.95.1109G409R407-G409 PolarHBondContact O-N 2.77Å; R407-G409 VanDerWaalsContact O-N 3.13Å
408P38.1Very low48.7Very low130 Ų130138.1 Ų138.184%0.84476%0.763SS**SBendtrans-64.4116.5-171.324.6-34.3000111.2
409G45.8Very low47.2Very low71 Ų71137 Ų13773%0.73277%0.772SS**  trans165.721.2-177.400000118.6R407R407-G409 PolarHBondContact O-N 2.77Å; R407-G409 VanDerWaalsContact O-N 3.13Å
410Q37Very low46.8Very low200 Ų200138.1 Ų138.194%0.93578%0.779SS**  trans-152.9152.2172-114.4161.11400112.9
411A35.6Very low45.6Very low90 Ų90137.1 Ų137.174%0.74478%0.781SS**PPolyproline II helixtrans-85.1152.5-171.600000113.1
412P42.1Very low44.7Very low130 Ų130134.1 Ų134.184%0.84479%0.793SS**PPolyproline II helixtrans-79.6130.3-179.331.6-34000112.4
413I41.7Very low43.3Very low166 Ų166130.2 Ų130.285%0.85179%0.792SS**PPolyproline II helixtrans-95.1133.8161.6-59.5177.3000107.3
414G36.3Very low42.6Very low68 Ų68130.2 Ų130.270%0.70180%0.803SS**PPolyproline II helixtrans-85.4153.3-172.100000114.8
415N38.3Very low41.8Very low159 Ų159131.1 Ų131.185%0.8580%0.804SS**PPolyproline II helixtrans-95.9146.8169.7-75.60.1000111.3
416P46.3Very low42.1Very low114 Ų114130.3 Ų130.374%0.7481%0.807SS**PPolyproline II helixtrans-77.6160.8171.933.3-35.4000112.5
417P50.4Low42.8Very low128 Ų128130.5 Ų130.583%0.83181%0.808SS**PPolyproline II helixtrans-82.3156.7-177.833.9-36.1000113.6
418V40.8Very low42.6Very low149 Ų149128.3 Ų128.390%0.90381%0.808SS**PPolyproline II helixtrans-96.4127.6172.2-1780000109.8
419G40.2Very low43.2Very low61 Ų61127.7 Ų127.763%0.62980%0.804SS**PPolyproline II helixtrans-98.9149.8175.600000113
420P54.7Low42.7Very low129 Ų129128 Ų12884%0.83881%0.807SS**PPolyproline II helixtrans-95.3131.8-179.735.2-31.6000112.8
421I42.5Very low43.1Very low176 Ų176126.2 Ų126.290%0.90380%0.802SS**  trans-147.3143.8164.8-14.3174.6000109.4
422G37.2Very low43.7Very low78 Ų78128.1 Ų128.180%0.80481%0.807SS**  trans-133.6157.6172.400000111.1
423G36.6Very low43.6Very low63 Ų63128.6 Ų128.665%0.64980%0.798SS**  trans176119.7176.800000115.7
424M40.3Very low43.6Very low196 Ų196130.1 Ų130.197%0.96680%0.801SS**  trans52.815014260.9-146.816600123.4
425M41.7Very low43.8Very low168 Ų168134.6 Ų134.683%0.82880%0.804SS**  trans-92.9174.3-17567173.4144.200112.6
426P54.6Low43.7Very low119 Ų119130.3 Ų130.377%0.77380%0.797SS**  -145.7172.170.734.9-13.8000116.5
427P58.2Low43.4Very low112 Ų112133.9 Ų133.973%0.72781%0.806SS**  trans-96.3166.4178.337.9-35.6000115
428Q37.6Very low43.2Very low187 Ų187139.2 Ų139.287%0.87481%0.81SS**  trans-137.7153.6171.7-92.9-82.3-32.700111.1
429P49.3Very low43.2Very low118 Ų118137.9 Ų137.977%0.76680%0.804SS**  trans-114.5168.7-167.841.2-30.4000114.8
430G35.7Very low43.8Very low76 Ų76141 Ų14178%0.78481%0.814SS**  trans146.6118.6159.500000115.4
431I44.8Very low43.5Very low164 Ų164143.6 Ų143.684%0.84182%0.817SS**  trans-123.6158163.555.6168000109.1
432P48.8Very low44Very low129 Ų129140.8 Ų140.884%0.83881%0.81SS**  trans-129.4136.2130.635.2-27.9000114.3
433Q40.7Very low44.8Very low141 Ų141143.3 Ų143.366%0.65981%0.812SS**  trans-24.4139.4163.1-175.8-169.6104.600118Q435Q433-Q435 HydrophobicContact CG-CG 4.06Å
434Q40.8Very low45.1Very low198 Ų198149.6 Ų149.693%0.92582%0.824SS**  trans-130163.2141.3-82.1-116.329.800109.1
435Q40.9Very low45Very low161 Ų161143.5 Ų143.575%0.75281%0.812SS**  trans-120.7146.5-160.8-55.6171.66.700111.8Q433Q433-Q435 HydrophobicContact CG-CG 4.06Å
436G36.7Very low44.9Very low69 Ų69143.6 Ų143.671%0.71181%0.81SS**  trans171.4130.417000000116.1
437M38.3Very low43.8Very low190 Ų190148.6 Ų148.694%0.93682%0.815SS**  trans53.992.7157.7-49.5-48.9173.400119
438R47Very low42.8Very low239 Ų239146.9 Ų146.990%0.90282%0.819SS**PPolyproline II helixtrans-98.7138.2155.6-60.5178.383.8-169.87.7109.6
439P41.2Very low42.6Very low121 Ų121141.9 Ų141.979%0.78682%0.817SS**PPolyproline II helixtrans-68.5151167.1-17.731.8000112.1
440P52.2Low42.3Very low128 Ų128145.2 Ų145.283%0.83182%0.822SS**PPolyproline II helixtrans-80.6150.3179.532.4-35000113.5
441M48.6Very low42.4Very low182 Ų182149.9 Ų149.990%0.89782%0.823SS**PPolyproline II helixtrans-92.3152.7165-90.8-174.2166.400111.3
442P52.1Low42.4Very low117 Ų117151 Ų15176%0.7683%0.825SS**PPolyproline II helixtrans-75.3147.5166.332.7-34000111.7
443P55.3Low41.9Very low131 Ų131148.7 Ų148.785%0.85182%0.824SS**PPolyproline II helixtrans-82157.918034.1-35.9000112.8
444H43Very low41.8Very low195 Ų195150.9 Ų150.990%0.90384%0.837SS**  trans-126.5112.1-177.2-141.3-63.7000112.6
445G38.2Very low42.1Very low69 Ų69147.2 Ų147.271%0.71183%0.83SS**  trans76.4132.2151.600000120.2
446Q38.6Very low41.9Very low170 Ų170143 Ų14379%0.79483%0.83SS**  trans-157.2151.5148.6-146165.8104.700111
447Y33.1Very low42Very low223 Ų223150.6 Ų150.688%0.87584%0.839SS**  trans63.8140.1-175.8-65.9-96.2000116.7
448G35.8Very low42.5Very low77 Ų77148.5 Ų148.579%0.79483%0.831SS**  cis154.2135.7-14.900000114.9
449G34.3Very low42.7Very low82 Ų82143.4 Ų143.485%0.84583%0.828SS**  trans108.2144.7160.700000117.8
450H41.6Very low42.6Very low188 Ų188141.1 Ų141.187%0.8783%0.827SS**  trans-117143.9170.2-76.6-115.7000110.3
451H38.6Very low41.9Very low173 Ų173140 Ų14080%0.80183%0.829SS**  trans-174127.613550-94.9000110.9
452Q45.7Very low42Very low189 Ų189140 Ų14088%0.88383%0.829SS**  65.2112.6103.4-56-77.21900115.8
453G36.8Very low42.2Very low80 Ų80140.1 Ų140.183%0.82583%0.83SS**  trans175.5115.6172.100000113.7
454M38.7Very low42.1Very low186 Ų186139.9 Ų139.992%0.91683%0.828SS**  trans-98.9177.2175.4-82.9-76.6-142.900110.6
455P48Very low42.1Very low122 Ų122142.1 Ų142.179%0.79283%0.83SS**  cis-127.1170.41.638.5-22.4000116.3
456G36.2Very low42.2Very low73 Ų73142.1 Ų142.175%0.75383%0.83SS**  trans-73.5-177.2-173.100000119.8
457Y39.8Very low42.2Very low227 Ų227143.7 Ų143.789%0.8984%0.837SS**  trans-136.8143168.7-162.4-93.4000108.9
458L48.2Very low42.5Very low147 Ų147136.1 Ų136.177%0.7783%0.827SS**  trans-89.6150.4-174.8-82.272.5000112.2
459P51.7Low43.4Very low131 Ų131138.5 Ų138.585%0.85183%0.828SS**  trans-76.3131.4163.632.1-31.9000110.3
460G37.3Very low44.3Very low74 Ų74139.5 Ų139.576%0.76382%0.82SS**  trans-162.8124.9-176.600000117.5
461A38.6Very low44.6Very low105 Ų105138.8 Ų138.887%0.86882%0.819SS**  trans63.2141.8150.900000121.9
462M50.2Low45.5Very low182 Ų182137.1 Ų137.190%0.89782%0.821SS**  trans-89.3150.8163.2-70.1-162.6-84.800111.4
463P56.1Low45.8Very low119 Ų119133.7 Ų133.777%0.77382%0.815SS**  trans-85.1154.9160.834.9-32.4000112.2
464P53.8Low46.6Very low125 Ų125135.6 Ų135.681%0.81281%0.813SS**  trans-92.3175.4-174.437.4-37.3000114.9
465Y41.9Very low47.1Very low243 Ų243138.1 Ų138.195%0.95381%0.814SS**  trans-72.1146.9175-70.3-103000113.5
466G40.6Very low47Very low68 Ų68141.3 Ų141.370%0.70182%0.818SS**  trans141.8152.215300000116.5
467Q39.1Very low47.4Very low203 Ų203141 Ų14195%0.94982%0.816SS**  trans76.6146.5172.9-49.2-66.521.900119.4
468G39.6Very low48.2Very low64 Ų64133.5 Ų133.566%0.6681%0.807SS**  trans167.7-172176.100000108.1
469P54.5Low48.7Very low127 Ų127132.2 Ų132.283%0.82581%0.807SS**  cis-106.1-159.3-19.244.3-31.2000109.1
470P54.4Low49.1Very low103 Ų103132 Ų13267%0.66981%0.806SS**  -145.8-169.361.234.8-10.8000115.5
471M47.5Very low50.2Low173 Ų173139.5 Ų139.585%0.85281%0.811SS**  trans93.6130.2162.9-55.2-55.1170.900119.5
472V57.5Low51.2Low139 Ų139139.9 Ų139.984%0.84281%0.805SS**PPolyproline II helixtrans-100.3133.4-179-83.50000111.7
473P52Low51.8Low116 Ų116137.3 Ų137.375%0.75380%0.802SS**PPolyproline II helixtrans-83.5156154.9-14.431.9000111.5
474P53.9Low51.8Low121 Ų121141.3 Ų141.379%0.78681%0.813SS**PPolyproline II helixtrans-81.2158-170.832.3-36.5000114.7
475Y48.8Very low51.7Low238 Ų238138.2 Ų138.293%0.93380%0.804SS**PPolyproline II helixtrans-52.1136.1163.2-103.7-112.8000111.2
476Q44.9Very low51.9Low189 Ų189135.4 Ų135.488%0.88380%0.801SS**  trans-143.1136.5165.6-142.9-145106.600112.5
477G44.1Very low52.4Low68 Ų68143 Ų14370%0.70181%0.809SS**  trans49.687.4151.500000119
478G56.8Low53.2Low68 Ų68138.2 Ų138.270%0.70180%0.796SS**PPolyproline II helixtrans-67.5157.7152.800000111.4
479P59.8Low54Low121 Ų121140.7 Ų140.779%0.78680%0.8SS**PPolyproline II helixtrans-63.4150.8-176.626.3-34.9000112.7R481P479-R481 PolarHBondContact O-N 3.25Å
480P59.3Low53.7Low127 Ų127140.7 Ų140.783%0.82580%0.797SS**PPolyproline II helixtrans-65134.3-174.626.3-34.6000112.2
481R61.2Low53.5Low230 Ų230144 Ų14487%0.86881%0.806SS**PPolyproline II helixtrans-69.6140.3172.3-72.5-179.8166.2-161.4-4.1110.6P479P479-R481 PolarHBondContact O-N 3.25Å
482P59.2Low53.4Low113 Ų113140.8 Ų140.873%0.73480%0.801SS**PPolyproline II helixtrans-65.2149.4163.330.1-34.2000110.1
483P62Low52.9Low128 Ų128143.4 Ų143.483%0.83180%0.803SS**PPolyproline II helixtrans-68.5135.3-179.527.8-34.3000111.7G485P483-G485 PolarHBondContact O-N 2.95Å
484M56.3Low52.6Low203 Ų203140.5 Ų140.5100%180%0.795SS**  trans-71109.1163.9-82.1-177.8161.200109
485G51.3Low52Low61 Ų61137.7 Ų137.763%0.62979%0.788SS**  trans-155.4130.1177.800000112.6P483P483-G485 PolarHBondContact O-N 2.95Å
486M46.9Very low52Low183 Ų183136.4 Ų136.490%0.90178%0.782SS**  trans53.383.5162.9-49.7-46.7167.700117.4
487R51.7Low51.9Low228 Ų228141.5 Ų141.586%0.8680%0.795SS**PPolyproline II helixtrans-58.4121.9153.5174.3-177.3178.4-175.80.7108.7
488P54.9Low52.3Low103 Ų103145.2 Ų145.267%0.66980%0.799SS**PPolyproline II helixtrans-65.6146.917727.1-34000110.8
489P56.4Low52Low116 Ų116149.2 Ų149.275%0.75380%0.804SS**PPolyproline II helixtrans-68.1135177.828.4-33.8000110.6M491P489-M491 PolarHBondContact O-N 3.25Å; P489-M491 VanDerWaalsContact O-N 3.08Å
490V49.7Very low51.6Low127 Ų127150.8 Ų150.877%0.7781%0.805SS**  trans-68.8105.7168170.20000107.9S492V490-S492 PolarHBondContact O-N 3.02Å
491M49Very low51.1Low173 Ų173152.2 Ų152.285%0.85280%0.804SS**  trans-72.394.8165.4-71.7-172.470.600108.5P489 Q493P489-M491 PolarHBondContact O-N 3.25Å; P489-M491 VanDerWaalsContact O-N 3.08Å; M491-Q493 PolarHBondContact O-N 3.39Å; M491-Q493 VanDerWaalsContact O-N 3.12Å
492S44.7Very low50.5Low105 Ų105147.3 Ų147.373%0.73480%0.8SS**  trans-64.4108.2169.7-174.60000109.1V490 G494V490-S492 PolarHBondContact O-N 3.02Å; S492-G494 PolarHBondContact O-N 3.13Å
493Q49.1Very low49.9Very low193 Ų193149.6 Ų149.690%0.90281%0.805SS**  trans-74.283.1164.8-73.5-159.10.700108.9M491M491-Q493 PolarHBondContact O-N 3.39Å; M491-Q493 VanDerWaalsContact O-N 3.12Å
494G43.8Very low49.1Very low55 Ų55151.1 Ų151.157%0.56780%0.803SS**  trans-63.9135.8164.900000110S492S492-G494 PolarHBondContact O-N 3.13Å
495G43Very low48.5Very low63 Ų63147.2 Ų147.265%0.64979%0.788SS**  trans-61.8153.3-174.900000114.6
496R48.1Very low48.3Very low211 Ų211154.3 Ų154.380%0.79680%0.801SS**  trans-135.4121.2163.3-70.8-65.9-177.3-107.59.9108.1
497Y42.3Very low48.4Very low295 Ų295151.7 Ų151.7100%1.15779%0.792SS**  trans14.10156.2-53.3-82.7000117.6

Retrieved 497 of 497 residues in 49.9 ms (Link to these results)