A0A3Q0KV11_SCHMA Loading...

DNA polymerase epsilon subunit 3

AlphaFold DB , UniProt , Accession A0A3Q0KV11, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 229 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
1M39.7Very low77Confident226 Ų226107.5 Ų107.5100%1.11358%0.576SS**  099.50-8766.5-177.200108.9
2A57.4Low78.2Confident65 Ų65105.8 Ų105.854%0.53757%0.566SS.*  trans-176.584.3163.90000099.4K4A2-K4 VanDerWaalsContact C-N 3.27Å; A2-K4 PolarHBondContact O-N 3.45Å
3E64.9Low79.4Confident170 Ų170103.4 Ų103.479%0.79457%0.57SS**  trans-76.6-18.4-163.1-77.2-164.8158.400112.3
4K78.8Confident80.5Confident138 Ų138100.9 Ų100.960%0.656%0.559SS**  trans-137.5143.3175.5-63.5174-172.61610110.7A2 D6 D7A2-K4 VanDerWaalsContact C-N 3.27Å; A2-K4 PolarHBondContact O-N 3.45Å; K4-D6 PolarHBondContact O-N 2.93Å; K4-D6 VanDerWaalsContact O-N 3.13Å; K4-D7 PolarHBondContact N-OD2 3.37Å; K4-D7 WeakPolarHBondContact O-CB 3.45Å; K4-D7 PolarHBondContact O-N 2.9Å; K4-D7 VanDerWaalsContact O-N 3.12Å
5A77.2Confident81.5Confident64 Ų6494.9 Ų94.953%0.52953%0.525SS..G310 helixtrans-59.1-24.517500000112.4D7 L8 Y9A5-D7 VanDerWaalsContact C-N 3.26Å; A5-D7 PolarHBondContact O-N 3.16Å; A5-L8 WeakPolarHBondContact O-CB 3.27Å; A5-L8 PolarHBondContact O-N 3.24Å; A5-Y9 VanDerWaalsContact O-CE1 3.25Å; A5-Y9 WeakPolarHBondContact O-CE1 3.39Å
6D80.5Confident82.3Confident95 Ų9590.6 Ų90.651%0.50850%0.501SS..G310 helixtrans-68.7-23.6179.9-55.2-32.1000113K4 L8 Y9K4-D6 PolarHBondContact O-N 2.93Å; K4-D6 VanDerWaalsContact O-N 3.13Å; D6-L8 PolarHBondContact O-N 3.12Å; D6-Y9 HydrophobicContact CB-CD2 4.19Å; D6-Y9 HydrophobicContact CB-CE2 3.88Å; D6-Y9 PolarHBondContact O-N 3.09Å; D6-Y9 WeakPolarHBondContact OD1-CE2 3.45Å; D6-Y9 PolarHBondContact OD1-OH 3.45Å
7D84.3Confident83.1Confident116 Ų11694.6 Ų94.662%0.6251%0.507SS*.G310 helixtrans-72-14.6177.3-56-26.9000112.2K4 A5K4-D7 PolarHBondContact N-OD2 3.37Å; K4-D7 WeakPolarHBondContact O-CB 3.45Å; K4-D7 PolarHBondContact O-N 2.9Å; K4-D7 VanDerWaalsContact O-N 3.12Å; A5-D7 VanDerWaalsContact C-N 3.26Å; A5-D7 PolarHBondContact O-N 3.16Å
8L89Confident83.8Confident83 Ų8393.9 Ų93.944%0.43550%0.502SS..G310 helixtrans-93.9-0.3179.9-64.6163.4000112.8A5 D6 S42A5-L8 WeakPolarHBondContact O-CB 3.27Å; A5-L8 PolarHBondContact O-N 3.24Å; D6-L8 PolarHBondContact O-N 3.12Å; L8-S42 PolarHBondContact O-OG 3.48Å
9Y92.2Very high84.5Confident71 Ų7190.1 Ų90.128%0.27848%0.481SS..PPolyproline II helixtrans-78.6139.5-176.8-66.1-12.8000112A5 D6 S38 K39 S42A5-Y9 VanDerWaalsContact O-CE1 3.25Å; A5-Y9 WeakPolarHBondContact O-CE1 3.39Å; D6-Y9 HydrophobicContact CB-CD2 4.19Å; D6-Y9 HydrophobicContact CB-CE2 3.88Å; D6-Y9 PolarHBondContact O-N 3.09Å; D6-Y9 WeakPolarHBondContact OD1-CE2 3.45Å; D6-Y9 PolarHBondContact OD1-OH 3.45Å; Y9-S38 WeakPolarHBondContact CB-OG 3.4Å; Y9-K39 HydrophobicContact CD1-CG 4.42Å; Y9-K39 HydrophobicContact CE1-CB 4.34Å; Y9-K39 HydrophobicContact CE1-CG 3.74Å; Y9-K39 HydrophobicContact CE2-CG 3.83Å; Y9-K39 VanDerWaalsContact CZ-CG 3.47Å; Y9-S42 WeakPolarHBondContact CA-OG 3.2Å; Y9-S42 WeakPolarHBondContact CD1-OG 3.35Å
10L91.1Very high85Confident71 Ų7192.9 Ų92.937%0.37249%0.485SS..PPolyproline II helixtrans-70.2145.3177.6-60.3177000110.6N12 S38 A41L10-N12 PolarHBondContact O-N 2.9Å; L10-S38 PolarHBondContact N-OG 3.49Å; L10-S38 PolarHBondContact O-OG 3.44Å; L10-A41 HydrophobicContact CD1-CB 3.93Å
11P92.2Very high85.5Confident84 Ų8495.2 Ų95.255%0.54549%0.493SS..PPolyproline II helixtrans-54.5127.5177.2-27.434.7000112.4A13 V14 L15P11-A13 PolarHBondContact O-N 3.07Å; P11-A13 VanDerWaalsContact O-N 3.15Å; P11-V14 HydrophobicContact CB-CB 4.5Å; P11-V14 HydrophobicContact CB-CG2 4.16Å; P11-V14 PolarHBondContact O-N 3.36Å; P11-V14 VanDerWaalsContact O-N 3.13Å; P11-L15 PolarHBondContact O-N 2.88Å; P11-L15 VanDerWaalsContact O-N 3.07Å
12N91.5Very high88.2Confident86 Ų8689 Ų8946%0.4647%0.472SS..Hα-helixtrans-58.9-32.2-174.5-78.7-47.2000113.4L10 L16L10-N12 PolarHBondContact O-N 2.9Å; N12-L16 VanDerWaalsContact O-CB 3.3Å; N12-L16 WeakPolarHBondContact O-CB 3.33Å; N12-L16 PolarHBondContact O-N 3.49Å
13A93.2Very high90.1Very high75 Ų7589.2 Ų89.262%0.6246%0.464SS*.Hα-helixtrans-66.5-45.5178.300000111.9P11 L15 L16 R17P11-A13 PolarHBondContact O-N 3.07Å; P11-A13 VanDerWaalsContact O-N 3.15Å; A13-L15 VanDerWaalsContact C-N 3.33Å; A13-L16 PolarHBondContact O-N 3.21Å; A13-R17 PolarHBondContact O-N 3.37Å; A13-R17 VanDerWaalsContact O-N 3.11Å
14V95.1Very high91.6Very high68 Ų6885.9 Ų85.941%0.41246%0.457SS..Hα-helixtrans-63.1-44.3176.8178.90000110P11 R17 I18P11-V14 HydrophobicContact CB-CB 4.5Å; P11-V14 HydrophobicContact CB-CG2 4.16Å; P11-V14 PolarHBondContact O-N 3.36Å; P11-V14 VanDerWaalsContact O-N 3.13Å; V14-R17 WeakPolarHBondContact O-CB 3.44Å; V14-R17 PolarHBondContact O-N 3.23Å; V14-I18 HydrophobicContact CG1-CD1 4.23Å; V14-I18 WeakPolarHBondContact O-CG1 3.4Å; V14-I18 PolarHBondContact O-N 3.3Å
15L94.8Very high92.2Very high11 Ų1187.9 Ų87.96%0.05847%0.469CS..Hα-helixtrans-63.8-43178.9-170.966.4000112P11 A13 R17 I18 I19 R34 I37P11-L15 PolarHBondContact O-N 2.88Å; P11-L15 VanDerWaalsContact O-N 3.07Å; A13-L15 VanDerWaalsContact C-N 3.33Å; L15-R17 VanDerWaalsContact C-N 3.28Å; L15-R17 PolarHBondContact O-N 3.34Å; L15-I18 PolarHBondContact O-N 3.13Å; L15-I19 HydrophobicContact CD1-CD1 4.49Å; L15-I19 HydrophobicContact CD2-CD1 4.29Å; L15-I19 HydrophobicContact CG-CD1 3.8Å; L15-I19 HydrophobicContact CG-CG1 4.37Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 3.1Å; L15-R34 WeakPolarHBondContact CD2-O 3.46Å; L15-I37 HydrophobicContact CD1-CG2 3.88Å; L15-I37 HydrophobicContact CD2-CB 4.08Å; L15-I37 HydrophobicContact CD2-CG2 3.94Å; L15-I37 HydrophobicContact CG-CG2 4.23Å
16L94.8Very high92.7Very high27 Ų2796 Ų9614%0.14149%0.485CS..Hα-helixtrans-61-37.9177.217758.4000111.9N12 A13 I19 R20 V29N12-L16 VanDerWaalsContact O-CB 3.3Å; N12-L16 WeakPolarHBondContact O-CB 3.33Å; N12-L16 PolarHBondContact O-N 3.49Å; A13-L16 PolarHBondContact O-N 3.21Å; L16-I19 PolarHBondContact O-N 3.32Å; L16-R20 HydrophobicContact CD1-CG 3.97Å; L16-R20 HydrophobicContact CG-CG 4.48Å; L16-R20 WeakPolarHBondContact O-CB 3.44Å; L16-R20 WeakPolarHBondContact O-CG 3.49Å; L16-R20 PolarHBondContact O-N 2.72Å; L16-V29 HydrophobicContact CD1-CB 4.29Å; L16-V29 HydrophobicContact CD1-CG2 4.43Å
17R95.4Very high93.4Very high158 Ų15894 Ų9460%0.59648%0.477SS*.Hα-helixtrans-60-50.8175.1-176.217665.7174.11.1111A13 V14 L15 I19 R20 E21A13-R17 PolarHBondContact O-N 3.37Å; A13-R17 VanDerWaalsContact O-N 3.11Å; V14-R17 WeakPolarHBondContact O-CB 3.44Å; V14-R17 PolarHBondContact O-N 3.23Å; L15-R17 VanDerWaalsContact C-N 3.28Å; L15-R17 PolarHBondContact O-N 3.34Å; R17-I19 VanDerWaalsContact C-N 3.35Å; R17-I19 PolarHBondContact O-N 2.73Å; R17-R20 PolarHBondContact O-N 3.33Å; R17-E21 WeakPolarHBondContact CG-OE1 3.44Å; R17-E21 WeakPolarHBondContact O-CG 3.41Å; R17-E21 PolarHBondContact O-N 2.67Å
18I96.8Very high93.9Very high83 Ų8396 Ų9643%0.42649%0.487SS..Hα-helixtrans-61.2-42.7178.8-63.3167.4000111.4V14 L15 R20 E21 S22V14-I18 HydrophobicContact CG1-CD1 4.23Å; V14-I18 WeakPolarHBondContact O-CG1 3.4Å; V14-I18 PolarHBondContact O-N 3.3Å; L15-I18 PolarHBondContact O-N 3.13Å; I18-R20 PolarHBondContact O-N 3.41Å; I18-E21 PolarHBondContact O-N 3.22Å; I18-S22 PolarHBondContact O-N 2.87Å; I18-S22 PolarHBondContact O-OG 2.94Å; I18-S22 VanDerWaalsContact O-OG 3.1Å
19I96.6Very high94.2Very high20 Ų2093.4 Ų93.410%0.10347%0.474CS..Hα-helixtrans-62.8-44.4178.1-66163.5000110.4L15 L16 R17 E21 S22 L23 V29 R34 I37L15-I19 HydrophobicContact CD1-CD1 4.49Å; L15-I19 HydrophobicContact CD2-CD1 4.29Å; L15-I19 HydrophobicContact CG-CD1 3.8Å; L15-I19 HydrophobicContact CG-CG1 4.37Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 3.1Å; L16-I19 PolarHBondContact O-N 3.32Å; R17-I19 VanDerWaalsContact C-N 3.35Å; R17-I19 PolarHBondContact O-N 2.73Å; I19-E21 VanDerWaalsContact C-N 3.35Å; I19-E21 PolarHBondContact O-N 2.79Å; I19-S22 WeakPolarHBondContact O-CB 3.42Å; I19-S22 PolarHBondContact O-N 3.35Å; I19-S22 VanDerWaalsContact O-N 3.08Å; I19-L23 HydrophobicContact CG2-CD1 3.63Å; I19-L23 HydrophobicContact CG2-CG 4.38Å; I19-L23 WeakPolarHBondContact O-CG 3.42Å; I19-L23 PolarHBondContact O-N 3.23Å; I19-V29 HydrophobicContact CG2-CG1 4.26Å; I19-V29 HydrophobicContact CG2-CG2 3.74Å; I19-R34 HydrophobicContact CD1-CG 4.49Å; I19-I37 HydrophobicContact CD1-CB 4.39Å; I19-I37 HydrophobicContact CD1-CD1 3.52Å; I19-I37 HydrophobicContact CD1-CG2 4.28Å; I19-I37 HydrophobicContact CG1-CD1 4.05Å
20R95.1Very high94.3Very high147 Ų14793.1 Ų93.156%0.55548%0.483SS*.Hα-helixtrans-66.4-34.9-180-77.8178.6172.7175.10.3112.9L16 R17 I18 S22 L23L16-R20 HydrophobicContact CD1-CG 3.97Å; L16-R20 HydrophobicContact CG-CG 4.48Å; L16-R20 WeakPolarHBondContact O-CB 3.44Å; L16-R20 WeakPolarHBondContact O-CG 3.49Å; L16-R20 PolarHBondContact O-N 2.72Å; R17-R20 PolarHBondContact O-N 3.33Å; I18-R20 PolarHBondContact O-N 3.41Å; R20-S22 PolarHBondContact O-N 3.48Å; R20-L23 PolarHBondContact O-N 3.47Å; R20-L23 VanDerWaalsContact O-O 3.07Å
21E95.9Very high94.4Very high141 Ų14199.7 Ų99.766%0.65950%0.503SS*.Hα-helixtrans-62.4-22.5172.8-72.4168-168.300112.4R17 I18 I19R17-E21 WeakPolarHBondContact CG-OE1 3.44Å; R17-E21 WeakPolarHBondContact O-CG 3.41Å; R17-E21 PolarHBondContact O-N 2.67Å; I18-E21 PolarHBondContact O-N 3.22Å; I19-E21 VanDerWaalsContact C-N 3.35Å; I19-E21 PolarHBondContact O-N 2.79Å
22S95.9Very high94.6Very high95 Ų95103.5 Ų103.566%0.66451%0.513SS*.THydrogen-bonded Turntrans-96.40.7179.7-52.30000113.9I18 I19 R20I18-S22 PolarHBondContact O-N 2.87Å; I18-S22 PolarHBondContact O-OG 2.94Å; I18-S22 VanDerWaalsContact O-OG 3.1Å; I19-S22 WeakPolarHBondContact O-CB 3.42Å; I19-S22 PolarHBondContact O-N 3.35Å; I19-S22 VanDerWaalsContact O-N 3.08Å; R20-S22 PolarHBondContact O-N 3.48Å
23L96.6Very high94.8Very high70 Ų70101.2 Ų101.237%0.36651%0.506SS..SBendtrans-125.4154.3-174.9-65175.1000110.9I19 R20 T27 V29I19-L23 HydrophobicContact CG2-CD1 3.63Å; I19-L23 HydrophobicContact CG2-CG 4.38Å; I19-L23 WeakPolarHBondContact O-CG 3.42Å; I19-L23 PolarHBondContact O-N 3.23Å; R20-L23 PolarHBondContact O-N 3.47Å; R20-L23 VanDerWaalsContact O-O 3.07Å; L23-T27 HydrophobicContact CB-CG2 4.29Å; L23-T27 HydrophobicContact CD1-CG2 3.87Å; L23-V29 HydrophobicContact CD1-CG2 3.74Å
24P96.8Very high94.9Very high101 Ų101100.7 Ų100.766%0.65649%0.488SS*.  trans-56.6151172.5-24.234.1000112.3R26 T27P24-R26 PolarHBondContact O-N 3.05Å; P24-T27 WeakPolarHBondContact O-CB 3.28Å; P24-T27 PolarHBondContact O-N 3.01Å; P24-T27 VanDerWaalsContact O-N 3.17Å; P24-T27 PolarHBondContact O-OG1 3.33Å
25E90.7Very high94.7Very high180 Ų18099.6 Ų99.684%0.84148%0.483SS*.THydrogen-bonded Turntrans-51139.7176.3-63.9-173.1179.100111.2T27E25-T27 VanDerWaalsContact C-N 3.28Å; E25-T27 PolarHBondContact O-N 3.22Å
26R89.2Confident94.7Very high233 Ų233101.7 Ų101.788%0.87950%0.502SS*.THydrogen-bonded Turntrans70.66.5-179.2-48.1174-178-91.1-3.3116.3P24 L28P24-R26 PolarHBondContact O-N 3.05Å; R26-L28 PolarHBondContact O-N 2.73Å
27T94.9Very high94.8Very high54 Ų54103.7 Ų103.733%0.33151%0.512SS..  trans-65.5128.3172.6-54.60000111.3L23 P24 E25L23-T27 HydrophobicContact CB-CG2 4.29Å; L23-T27 HydrophobicContact CD1-CG2 3.87Å; P24-T27 WeakPolarHBondContact O-CB 3.28Å; P24-T27 PolarHBondContact O-N 3.01Å; P24-T27 VanDerWaalsContact O-N 3.17Å; P24-T27 PolarHBondContact O-OG1 3.33Å; E25-T27 VanDerWaalsContact C-N 3.28Å; E25-T27 PolarHBondContact O-N 3.22Å
28L93.7Very high94.8Very high158 Ų15896.2 Ų96.283%0.82749%0.485SS*.  trans-89138.1177.6-59.4-179.7000111R26R26-L28 PolarHBondContact O-N 2.73Å
29V95Very high94.6Very high28 Ų2897.2 Ų97.217%0.1749%0.486CS..  trans-120.3118.7178.4-172.50000108.6L16 I19 L23 A33 R34L16-V29 HydrophobicContact CD1-CB 4.29Å; L16-V29 HydrophobicContact CD1-CG2 4.43Å; I19-V29 HydrophobicContact CG2-CG1 4.26Å; I19-V29 HydrophobicContact CG2-CG2 3.74Å; L23-V29 HydrophobicContact CD1-CG2 3.74Å; V29-A33 HydrophobicContact CG1-CB 4.04Å; V29-R34 HydrophobicContact CG1-CG 3.84Å
30S95.6Very high94.6Very high66 Ų66100 Ų10046%0.46251%0.507SS..  trans-64.3157.3-177.876.30000111.9E32 A33 R34S30-E32 VanDerWaalsContact C-N 3.27Å; S30-E32 PolarHBondContact O-N 2.95Å; S30-A33 PolarHBondContact O-N 3.31Å; S30-A33 VanDerWaalsContact OG-CB 3.32Å; S30-A33 WeakPolarHBondContact OG-CB 3.26Å; S30-A33 PolarHBondContact OG-N 3.29Å; S30-R34 WeakPolarHBondContact O-CG 3.42Å; S30-R34 PolarHBondContact O-N 3.39Å; S30-R34 VanDerWaalsContact O-N 3.11Å
31R93.6Very high94.7Very high209 Ų20994.1 Ų94.179%0.78949%0.49SS*.Hα-helixtrans-60.4-39.3174.9-174.9-179.5178.2-137.72.6111.7R34 S35R31-R34 PolarHBondContact O-N 3.38Å; R31-S35 PolarHBondContact O-N 3.23Å
32E95.1Very high94.6Very high164 Ų16487.7 Ų87.777%0.76646%0.461SS*.Hα-helixtrans-64.8-44.6177.9-174.1174.3-163.900111.7S30 R34 S35 A36S30-E32 VanDerWaalsContact C-N 3.27Å; S30-E32 PolarHBondContact O-N 2.95Å; E32-R34 VanDerWaalsContact C-N 3.34Å; E32-R34 PolarHBondContact O-N 3.25Å; E32-S35 PolarHBondContact O-N 3.31Å; E32-A36 WeakPolarHBondContact O-CB 3.41Å; E32-A36 PolarHBondContact O-N 3.16Å
33A95.8Very high94.6Very high37 Ų3786.9 Ų86.931%0.30646%0.455SS..Hα-helixtrans-60.3-43.4176.400000111.7V29 S30 S35 A36 I37V29-A33 HydrophobicContact CG1-CB 4.04Å; S30-A33 PolarHBondContact O-N 3.31Å; S30-A33 VanDerWaalsContact OG-CB 3.32Å; S30-A33 WeakPolarHBondContact OG-CB 3.26Å; S30-A33 PolarHBondContact OG-N 3.29Å; A33-S35 PolarHBondContact O-N 2.98Å; A33-A36 PolarHBondContact O-N 3.12Å; A33-I37 VanDerWaalsContact O-CG1 3.29Å; A33-I37 WeakPolarHBondContact O-CG1 3.33Å; A33-I37 PolarHBondContact O-N 3.27Å
34R94.6Very high94.6Very high65 Ų6587 Ų8725%0.24545%0.452CS..Hα-helixtrans-58.5-47.2174.4-72.9-177.2-83.4167.7-1.7112.1L15 I19 V29 S30 R31 E32 A36 I37 S38L15-R34 WeakPolarHBondContact CD2-O 3.46Å; I19-R34 HydrophobicContact CD1-CG 4.49Å; V29-R34 HydrophobicContact CG1-CG 3.84Å; S30-R34 WeakPolarHBondContact O-CG 3.42Å; S30-R34 PolarHBondContact O-N 3.39Å; S30-R34 VanDerWaalsContact O-N 3.11Å; R31-R34 PolarHBondContact O-N 3.38Å; E32-R34 VanDerWaalsContact C-N 3.34Å; E32-R34 PolarHBondContact O-N 3.25Å; R34-A36 PolarHBondContact O-N 2.97Å; R34-I37 PolarHBondContact O-N 3.09Å; R34-S38 WeakPolarHBondContact O-CB 3.27Å; R34-S38 PolarHBondContact O-N 3.29Å
35S92.6Very high94.6Very high44 Ų4486.1 Ų86.131%0.30844%0.441SS..Hα-helixtrans-64.1-40.1178.3-175.20000112.1R31 E32 A33 S38 K39R31-S35 PolarHBondContact O-N 3.23Å; E32-S35 PolarHBondContact O-N 3.31Å; A33-S35 PolarHBondContact O-N 2.98Å; S35-S38 PolarHBondContact O-N 2.93Å; S35-K39 WeakPolarHBondContact O-CG 3.31Å; S35-K39 PolarHBondContact O-N 2.99Å
36A94.7Very high94.8Very high55 Ų5582.4 Ų82.446%0.45543%0.427SS..Hα-helixtrans-64-44.3177.300000112.1E32 A33 R34 S38 K39 S40E32-A36 WeakPolarHBondContact O-CB 3.41Å; E32-A36 PolarHBondContact O-N 3.16Å; A33-A36 PolarHBondContact O-N 3.12Å; R34-A36 PolarHBondContact O-N 2.97Å; A36-S38 VanDerWaalsContact C-N 3.35Å; A36-K39 PolarHBondContact O-N 2.86Å; A36-S40 WeakPolarHBondContact O-CB 3.28Å; A36-S40 PolarHBondContact O-N 3.39Å
37I96.4Very high95.1Very high69 Ų6977.3 Ų77.335%0.35441%0.408SS..Hα-helixtrans-65.5-40.3176.4-64.4166.2000110.3L15 I19 A33 R34 K39 S40 A41L15-I37 HydrophobicContact CD1-CG2 3.88Å; L15-I37 HydrophobicContact CD2-CB 4.08Å; L15-I37 HydrophobicContact CD2-CG2 3.94Å; L15-I37 HydrophobicContact CG-CG2 4.23Å; I19-I37 HydrophobicContact CD1-CB 4.39Å; I19-I37 HydrophobicContact CD1-CD1 3.52Å; I19-I37 HydrophobicContact CD1-CG2 4.28Å; I19-I37 HydrophobicContact CG1-CD1 4.05Å; A33-I37 VanDerWaalsContact O-CG1 3.29Å; A33-I37 WeakPolarHBondContact O-CG1 3.33Å; A33-I37 PolarHBondContact O-N 3.27Å; R34-I37 PolarHBondContact O-N 3.09Å; I37-K39 PolarHBondContact O-N 3.47Å; I37-S40 PolarHBondContact O-N 2.95Å; I37-A41 WeakPolarHBondContact O-CB 3.47Å; I37-A41 PolarHBondContact O-N 3.43Å
38S95Very high95.3Very high2 Ų275.3 Ų75.31%0.01440%0.396CS..Hα-helixtrans-60.2-47.5177.4-168.50000111.5Y9 L10 R34 S35 A36 S40 A41 S42Y9-S38 WeakPolarHBondContact CB-OG 3.4Å; L10-S38 PolarHBondContact N-OG 3.49Å; L10-S38 PolarHBondContact O-OG 3.44Å; R34-S38 WeakPolarHBondContact O-CB 3.27Å; R34-S38 PolarHBondContact O-N 3.29Å; S35-S38 PolarHBondContact O-N 2.93Å; A36-S38 VanDerWaalsContact C-N 3.35Å; S38-S40 VanDerWaalsContact C-N 3.34Å; S38-S40 PolarHBondContact O-N 3.05Å; S38-A41 PolarHBondContact O-N 2.78Å; S38-S42 PolarHBondContact O-N 2.95Å; S38-S42 VanDerWaalsContact O-N 3.08Å; S38-S42 PolarHBondContact O-OG 3.45Å
39K93.8Very high95.5Very high103 Ų10370.7 Ų70.745%0.44837%0.374SS..Hα-helixtrans-57.9-44.9173.2-72.8170.9-179.7179.60112.3Y9 S35 A36 I37 S42 S43Y9-K39 HydrophobicContact CD1-CG 4.42Å; Y9-K39 HydrophobicContact CE1-CB 4.34Å; Y9-K39 HydrophobicContact CE1-CG 3.74Å; Y9-K39 HydrophobicContact CE2-CG 3.83Å; Y9-K39 VanDerWaalsContact CZ-CG 3.47Å; S35-K39 WeakPolarHBondContact O-CG 3.31Å; S35-K39 PolarHBondContact O-N 2.99Å; A36-K39 PolarHBondContact O-N 2.86Å; I37-K39 PolarHBondContact O-N 3.47Å; K39-S42 PolarHBondContact O-N 3.49Å; K39-S43 PolarHBondContact O-N 3.13Å
40S95.4Very high95.6Very high79 Ų7972.6 Ų72.655%0.55239%0.389SS*.Hα-helixtrans-64.8-39.3178.6-171.30000112.1A36 I37 S38 S43 F44A36-S40 WeakPolarHBondContact O-CB 3.28Å; A36-S40 PolarHBondContact O-N 3.39Å; I37-S40 PolarHBondContact O-N 2.95Å; S38-S40 VanDerWaalsContact C-N 3.34Å; S38-S40 PolarHBondContact O-N 3.05Å; S40-S43 PolarHBondContact O-N 3.31Å; S40-F44 WeakPolarHBondContact O-CB 3.35Å; S40-F44 PolarHBondContact O-N 3.42Å
41A96.5Very high95.7Very high23 Ų2370.3 Ų70.319%0.1937%0.372CS..Hα-helixtrans-64.9-43.2178.200000111.2L10 I37 S38 F44 I45L10-A41 HydrophobicContact CD1-CB 3.93Å; I37-A41 WeakPolarHBondContact O-CB 3.47Å; I37-A41 PolarHBondContact O-N 3.43Å; S38-A41 PolarHBondContact O-N 2.78Å; A41-F44 WeakPolarHBondContact O-CB 3.39Å; A41-F44 PolarHBondContact O-N 3Å; A41-I45 WeakPolarHBondContact O-CG1 3.32Å; A41-I45 PolarHBondContact O-N 3.24Å
42S95.3Very high95.9Very high7 Ų760.4 Ų60.45%0.04933%0.334CS..Hα-helixtrans-63.7-43.6174.6-56.20000111.7L8 Y9 S38 K39 F44 I45 L46L8-S42 PolarHBondContact O-OG 3.48Å; Y9-S42 WeakPolarHBondContact CA-OG 3.2Å; Y9-S42 WeakPolarHBondContact CD1-OG 3.35Å; S38-S42 PolarHBondContact O-N 2.95Å; S38-S42 VanDerWaalsContact O-N 3.08Å; S38-S42 PolarHBondContact O-OG 3.45Å; K39-S42 PolarHBondContact O-N 3.49Å; S42-F44 VanDerWaalsContact C-N 3.28Å; S42-F44 PolarHBondContact O-N 2.9Å; S42-I45 PolarHBondContact O-N 3.41Å; S42-L46 WeakPolarHBondContact O-CG 3.3Å; S42-L46 PolarHBondContact O-N 3.23Å
43S94.4Very high96.1Very high77 Ų7754.2 Ų54.254%0.53831%0.309SS..Hα-helixtrans-61.3-37.1174-170.80000112.3K39 S40 Y47K39-S43 PolarHBondContact O-N 3.13Å; S40-S43 PolarHBondContact O-N 3.31Å; S43-Y47 VanDerWaalsContact O-CB 3.31Å; S43-Y47 WeakPolarHBondContact O-CB 3.31Å; S43-Y47 PolarHBondContact O-N 3.49Å
44F97.2Very high96.2Very high73 Ų7356.2 Ų56.232%0.3232%0.317SS..Hα-helixtrans-64.3-48176.8175.4-95000111.4S40 A41 S42 L46 Y47 V48 L73 M76 F78S40-F44 WeakPolarHBondContact O-CB 3.35Å; S40-F44 PolarHBondContact O-N 3.42Å; A41-F44 WeakPolarHBondContact O-CB 3.39Å; A41-F44 PolarHBondContact O-N 3Å; S42-F44 VanDerWaalsContact C-N 3.28Å; S42-F44 PolarHBondContact O-N 2.9Å; F44-L46 VanDerWaalsContact C-N 3.33Å; F44-L46 PolarHBondContact O-N 2.99Å; F44-Y47 PolarHBondContact O-N 3.45Å; F44-V48 HydrophobicContact CD1-CG2 4.14Å; F44-V48 HydrophobicContact CD2-CG2 4.21Å; F44-V48 HydrophobicContact CE1-CG2 3.79Å; F44-V48 HydrophobicContact CE2-CG2 3.86Å; F44-V48 HydrophobicContact CG-CG2 4.35Å; F44-V48 HydrophobicContact CZ-CG2 3.64Å; F44-V48 VanDerWaalsContact O-CG2 3.31Å; F44-V48 WeakPolarHBondContact O-CG2 3.4Å; F44-V48 PolarHBondContact O-N 3.05Å; F44-L73 HydrophobicContact CE2-CD2 4.38Å; F44-L73 HydrophobicContact CZ-CD2 3.75Å; F44-M76 HydrophobicContact CD2-CE 3.76Å; F44-M76 HydrophobicContact CE2-CE 3.59Å; F44-F78 HydrophobicContact CD2-CE2 4.28Å; F44-F78 AromaticContact CE2-CD2 3.89Å; F44-F78 HydrophobicContact CE2-CD2 3.89Å; F44-F78 AromaticContact CE2-CE2 3.67Å; F44-F78 HydrophobicContact CE2-CE2 3.67Å; F44-F78 HydrophobicContact CE2-CZ 4.16Å
45I96.3Very high96.2Very high83 Ų8354.7 Ų54.743%0.42631%0.313SS..Hα-helixtrans-58.1-47.1177.7-66.9163.5000110.5A41 S42 Y47 T49A41-I45 WeakPolarHBondContact O-CG1 3.32Å; A41-I45 PolarHBondContact O-N 3.24Å; S42-I45 PolarHBondContact O-N 3.41Å; I45-Y47 VanDerWaalsContact C-N 3.34Å; I45-Y47 PolarHBondContact O-N 2.69Å; I45-T49 VanDerWaalsContact O-CB 3.28Å; I45-T49 WeakPolarHBondContact O-CB 3.34Å; I45-T49 PolarHBondContact O-N 3.06Å; I45-T49 PolarHBondContact O-OG1 3.2Å
46L95.2Very high96.5Very high102 Ų10252.9 Ų52.953%0.53430%0.3SS..Hα-helixtrans-61.8-42.9178.9-68.4174.3000111.8S42 F44 T49 S50S42-L46 WeakPolarHBondContact O-CG 3.3Å; S42-L46 PolarHBondContact O-N 3.23Å; F44-L46 VanDerWaalsContact C-N 3.33Å; F44-L46 PolarHBondContact O-N 2.99Å; L46-T49 PolarHBondContact O-N 3.46Å; L46-S50 WeakPolarHBondContact O-CB 3.33Å; L46-S50 PolarHBondContact O-N 2.94Å
47Y97Very high96.6Very high126 Ų12656.8 Ų56.849%0.49431%0.309SS..Hα-helixtrans-70.2-45.6-178-171.9-125.8000112.6S43 F44 I45 T49 S50 L51 M76S43-Y47 VanDerWaalsContact O-CB 3.31Å; S43-Y47 WeakPolarHBondContact O-CB 3.31Å; S43-Y47 PolarHBondContact O-N 3.49Å; F44-Y47 PolarHBondContact O-N 3.45Å; I45-Y47 VanDerWaalsContact C-N 3.34Å; I45-Y47 PolarHBondContact O-N 2.69Å; Y47-T49 VanDerWaalsContact C-N 3.3Å; Y47-T49 PolarHBondContact O-N 2.97Å; Y47-S50 WeakPolarHBondContact O-CB 3.48Å; Y47-S50 PolarHBondContact O-N 3.11Å; Y47-L51 HydrophobicContact CD1-CD1 4.3Å; Y47-L51 HydrophobicContact CE1-CD1 3.78Å; Y47-L51 HydrophobicContact CE2-CD1 4.17Å; Y47-L51 HydrophobicContact CE2-CG 4.22Å; Y47-L51 PolarHBondContact O-N 3.07Å; Y47-M76 HydrophobicContact CD1-CE 3.51Å; Y47-M76 HydrophobicContact CD1-CG 4.11Å; Y47-M76 HydrophobicContact CD1-SD 3.63Å; Y47-M76 HydrophobicContact CE1-CE 4.02Å; Y47-M76 HydrophobicContact CE1-CG 3.73Å; Y47-M76 HydrophobicContact CE1-SD 3.91Å
48V98.1Very high96.6Very high11 Ų1162 Ų627%0.06733%0.329CS..Hα-helixtrans-58-45.6173.8173.30000110.3F44 S50 L51 A52 I69 A72 L73 M76F44-V48 HydrophobicContact CD1-CG2 4.14Å; F44-V48 HydrophobicContact CD2-CG2 4.21Å; F44-V48 HydrophobicContact CE1-CG2 3.79Å; F44-V48 HydrophobicContact CE2-CG2 3.86Å; F44-V48 HydrophobicContact CG-CG2 4.35Å; F44-V48 HydrophobicContact CZ-CG2 3.64Å; F44-V48 VanDerWaalsContact O-CG2 3.31Å; F44-V48 WeakPolarHBondContact O-CG2 3.4Å; F44-V48 PolarHBondContact O-N 3.05Å; V48-S50 VanDerWaalsContact C-N 3.34Å; V48-S50 PolarHBondContact O-N 3.27Å; V48-L51 PolarHBondContact O-N 3.43Å; V48-A52 VanDerWaalsContact O-CB 3.27Å; V48-A52 WeakPolarHBondContact O-CB 3.32Å; V48-A52 PolarHBondContact O-N 2.96Å; V48-I69 HydrophobicContact CG1-CD1 4.42Å; V48-I69 HydrophobicContact CG1-CG2 4.08Å; V48-A72 HydrophobicContact CG1-CB 4.46Å; V48-L73 HydrophobicContact CG1-CD2 4.5Å; V48-L73 HydrophobicContact CG2-CD2 3.97Å; V48-M76 HydrophobicContact CB-SD 4.26Å; V48-M76 HydrophobicContact CG2-CE 3.67Å; V48-M76 HydrophobicContact CG2-SD 3.46Å; V48-M76 WeakPolarHBondContact CG2-SD 3.35Å
49T97.6Very high96.7Very high61 Ų6165 Ų6537%0.37435%0.35SS..Hα-helixtrans-62.7-42179.7-56.30000111.4I45 L46 Y47 S53I45-T49 VanDerWaalsContact O-CB 3.28Å; I45-T49 WeakPolarHBondContact O-CB 3.34Å; I45-T49 PolarHBondContact O-N 3.06Å; I45-T49 PolarHBondContact O-OG1 3.2Å; L46-T49 PolarHBondContact O-N 3.46Å; Y47-T49 VanDerWaalsContact C-N 3.3Å; Y47-T49 PolarHBondContact O-N 2.97Å; T49-S53 WeakPolarHBondContact O-CB 3.36Å; T49-S53 PolarHBondContact O-N 3.21Å; T49-S53 PolarHBondContact O-OG 2.84Å
50S97.6Very high96.8Very high68 Ų6869.7 Ų69.748%0.47637%0.37SS..Hα-helixtrans-60.6-48.3176-174.30000111.8L46 Y47 V48 S53 V54L46-S50 WeakPolarHBondContact O-CB 3.33Å; L46-S50 PolarHBondContact O-N 2.94Å; Y47-S50 WeakPolarHBondContact O-CB 3.48Å; Y47-S50 PolarHBondContact O-N 3.11Å; V48-S50 VanDerWaalsContact C-N 3.34Å; V48-S50 PolarHBondContact O-N 3.27Å; S50-S53 WeakPolarHBondContact O-CB 3.48Å; S50-S53 PolarHBondContact O-N 3.38Å; S50-V54 PolarHBondContact O-N 3.01Å
51L97.6Very high96.8Very high19 Ų1969.6 Ų69.610%0.09936%0.358CS..Hα-helixtrans-67.5-41.6180-73.1177000112.2Y47 V48 S53 V54 H55 A72 M76Y47-L51 HydrophobicContact CD1-CD1 4.3Å; Y47-L51 HydrophobicContact CE1-CD1 3.78Å; Y47-L51 HydrophobicContact CE2-CD1 4.17Å; Y47-L51 HydrophobicContact CE2-CG 4.22Å; Y47-L51 PolarHBondContact O-N 3.07Å; V48-L51 PolarHBondContact O-N 3.43Å; L51-S53 PolarHBondContact O-N 3.41Å; L51-V54 WeakPolarHBondContact O-CB 3.44Å; L51-V54 PolarHBondContact O-N 3.06Å; L51-V54 VanDerWaalsContact O-N 3.1Å; L51-H55 PolarHBondContact O-CD2 3.16Å; L51-H55 VanDerWaalsContact O-CD2 3.3Å; L51-H55 PolarHBondContact O-N 3.13Å; L51-H55 VanDerWaalsContact O-N 3.13Å; L51-A72 HydrophobicContact CB-CB 3.7Å; L51-M76 HydrophobicContact CD1-CG 3.33Å; L51-M76 HydrophobicContact CD1-SD 3.74Å
52A98.3Very high96.8Very high0 Ų078.7 Ų78.70%039%0.393CS..Hα-helixtrans-60.8-36.2175.100000111.5V48 V54 H55 C56 L64 D68 I69 A72V48-A52 VanDerWaalsContact O-CB 3.27Å; V48-A52 WeakPolarHBondContact O-CB 3.32Å; V48-A52 PolarHBondContact O-N 2.96Å; A52-V54 VanDerWaalsContact C-N 3.32Å; A52-V54 PolarHBondContact O-N 3.33Å; A52-H55 PolarHBondContact O-N 3.45Å; A52-C56 WeakPolarHBondContact O-CB 3.48Å; A52-C56 PolarHBondContact O-N 2.98Å; A52-L64 VanDerWaalsContact C-CD2 3.41Å; A52-L64 HydrophobicContact CB-CD2 3.64Å; A52-L64 WeakPolarHBondContact O-CD2 3.09Å; A52-D68 HydrophobicContact CB-CB 4.07Å; A52-I69 HydrophobicContact CB-CD1 3.65Å; A52-I69 HydrophobicContact CB-CG1 4.5Å; A52-A72 HydrophobicContact CB-CB 4.03Å
53S98.1Very high96.9Very high34 Ų3483.3 Ų83.324%0.23842%0.421CS..Hα-helixtrans-62.6-41.1175.6-58.30000111.1T49 S50 L51 H55 C56 E57T49-S53 WeakPolarHBondContact O-CB 3.36Å; T49-S53 PolarHBondContact O-N 3.21Å; T49-S53 PolarHBondContact O-OG 2.84Å; S50-S53 WeakPolarHBondContact O-CB 3.48Å; S50-S53 PolarHBondContact O-N 3.38Å; L51-S53 PolarHBondContact O-N 3.41Å; S53-H55 VanDerWaalsContact C-N 3.35Å; S53-H55 PolarHBondContact O-N 3.39Å; S53-C56 WeakPolarHBondContact O-CB 3.46Å; S53-C56 PolarHBondContact O-N 3.47Å; S53-E57 WeakPolarHBondContact O-CB 3.42Å; S53-E57 WeakPolarHBondContact O-CG 3.35Å; S53-E57 PolarHBondContact O-N 3.36Å
54V97.7Very high97Very high80 Ų8083.2 Ų83.249%0.48541%0.414SS..Hα-helixtrans-60.2-41.9174.2176.60000111.8S50 L51 A52 K58S50-V54 PolarHBondContact O-N 3.01Å; L51-V54 WeakPolarHBondContact O-CB 3.44Å; L51-V54 PolarHBondContact O-N 3.06Å; L51-V54 VanDerWaalsContact O-N 3.1Å; A52-V54 VanDerWaalsContact C-N 3.32Å; A52-V54 PolarHBondContact O-N 3.33Å; V54-K58 VanDerWaalsContact O-CB 3.27Å; V54-K58 WeakPolarHBondContact O-CB 3.49Å; V54-K58 PolarHBondContact O-N 3.12Å
55H96.4Very high97Very high33 Ų3382.2 Ų82.215%0.15341%0.414CS..Hα-helixtrans-66.2-40175.9-65.1-53.2000113L51 A52 S53 K58 S59 D68 A72 E75L51-H55 PolarHBondContact O-CD2 3.16Å; L51-H55 VanDerWaalsContact O-CD2 3.3Å; L51-H55 PolarHBondContact O-N 3.13Å; L51-H55 VanDerWaalsContact O-N 3.13Å; A52-H55 PolarHBondContact O-N 3.45Å; S53-H55 VanDerWaalsContact C-N 3.35Å; S53-H55 PolarHBondContact O-N 3.39Å; H55-K58 PolarHBondContact O-N 3.32Å; H55-S59 PolarHBondContact O-N 2.94Å; H55-S59 VanDerWaalsContact O-N 3.09Å; H55-S59 PolarHBondContact O-OG 2.91Å; H55-D68 HydrophobicContact CB-CB 4.33Å; H55-A72 PolarHBondContact CD2-N 3.37Å; H55-A72 PolarHBondContact NE2-N 3.24Å; H55-E75 IonicContact CE1-OE2 3.21Å; H55-E75 PolarHBondContact CE1-OE2 3.3Å; H55-E75 IonicContact NE2-OE2 3.49Å; H55-E75 PolarHBondContact NE2-OE2 3Å
56C97.9Very high96.9Very high6 Ų679.7 Ų79.74%0.04141%0.409CS..Hα-helixtrans-61.7-49.2176.3-178.10000111.1A52 S53 S59 K60 R61 T63 L64 D68A52-C56 WeakPolarHBondContact O-CB 3.48Å; A52-C56 PolarHBondContact O-N 2.98Å; S53-C56 WeakPolarHBondContact O-CB 3.46Å; S53-C56 PolarHBondContact O-N 3.47Å; C56-S59 CarbonylContact O-C 3.53Å; C56-S59 WeakPolarHBondContact O-CB 3.49Å; C56-S59 PolarHBondContact O-N 3.11Å; C56-S59 VanDerWaalsContact O-N 3.12Å; C56-K60 PolarHBondContact O-N 2.92Å; C56-R61 PolarHBondContact O-N 3.45Å; C56-R61 PolarHBondContact SG-O 3.04Å; C56-R61 VanDerWaalsContact SG-O 3.34Å; C56-T63 PolarHBondContact SG-O 3.44Å; C56-L64 HydrophobicContact CB-CD2 3.95Å; C56-L64 HydrophobicContact CB-CG 4.42Å; C56-D68 PolarHBondContact N-OD1 3.48Å
57E97.4Very high97Very high137 Ų13778.3 Ų78.364%0.6441%0.408SS*.Hα-helixtrans-62.9-42.6177.5-73.3176.2-170.600111.9S53 S59 K60S53-E57 WeakPolarHBondContact O-CB 3.42Å; S53-E57 WeakPolarHBondContact O-CG 3.35Å; S53-E57 PolarHBondContact O-N 3.36Å; E57-S59 PolarHBondContact O-N 3.35Å; E57-K60 WeakPolarHBondContact O-CA 3.39Å; E57-K60 PolarHBondContact O-N 3.18Å
58K96.6Very high97Very high179 Ų17972.5 Ų72.578%0.77839%0.385SS*.Hα-helixtrans-59.8-31.7175.2-174.4177.5-179.9-179.60112.2V54 H55 K60V54-K58 VanDerWaalsContact O-CB 3.27Å; V54-K58 WeakPolarHBondContact O-CB 3.49Å; V54-K58 PolarHBondContact O-N 3.12Å; H55-K58 PolarHBondContact O-N 3.32Å; K58-K60 PolarHBondContact O-N 3.23Å
59S95.5Very high97Very high64 Ų6474.8 Ų74.845%0.44840%0.396SS..THydrogen-bonded Turntrans-83.35.7175.4-53.20000113.5H55 C56 E57 R61H55-S59 PolarHBondContact O-N 2.94Å; H55-S59 VanDerWaalsContact O-N 3.09Å; H55-S59 PolarHBondContact O-OG 2.91Å; C56-S59 CarbonylContact O-C 3.53Å; C56-S59 WeakPolarHBondContact O-CB 3.49Å; C56-S59 PolarHBondContact O-N 3.11Å; C56-S59 VanDerWaalsContact O-N 3.12Å; E57-S59 PolarHBondContact O-N 3.35Å; S59-R61 VanDerWaalsContact CB-NH2 3.35Å; S59-R61 PolarHBondContact O-N 3.02Å; S59-R61 PolarHBondContact OG-NH2 3.28Å; S59-R61 VanDerWaalsContact OG-NH2 3.16Å
60K96Very high97Very high201 Ų20173.2 Ų73.287%0.87439%0.386SS*.THydrogen-bonded Turntrans56.227.5-174.8-55.5-179.9-178.7178.40113.8C56 E57 K58C56-K60 PolarHBondContact O-N 2.92Å; E57-K60 WeakPolarHBondContact O-CA 3.39Å; E57-K60 PolarHBondContact O-N 3.18Å; K58-K60 PolarHBondContact O-N 3.23Å
61R97.2Very high97Very high77 Ų7771.8 Ų71.829%0.29138%0.378SS..  trans-98.6154.4175.7-72.2-178.3-7398.3-0.6110C56 S59 T63 D68C56-R61 PolarHBondContact O-N 3.45Å; C56-R61 PolarHBondContact SG-O 3.04Å; C56-R61 VanDerWaalsContact SG-O 3.34Å; S59-R61 VanDerWaalsContact CB-NH2 3.35Å; S59-R61 PolarHBondContact O-N 3.02Å; S59-R61 PolarHBondContact OG-NH2 3.28Å; S59-R61 VanDerWaalsContact OG-NH2 3.16Å; R61-T63 PolarHBondContact NH1-O 2.97Å; R61-D68 IonicContact CZ-OD1 3.53Å; R61-D68 IonicContact CZ-OD2 3.47Å; R61-D68 IonicContact NH1-OD1 3.48Å; R61-D68 PolarHBondContact NH1-OD1 3.45Å; R61-D68 IonicContact NH1-OD2 2.72Å; R61-D68 PolarHBondContact NH1-OD2 3.21Å; R61-D68 IonicContact NH2-OD1 2.67Å; R61-D68 PolarHBondContact NH2-OD1 3.17Å; R61-D68 IonicContact NH2-OD2 3.35Å; R61-D68 PolarHBondContact NH2-OD2 3.07Å
62K95.6Very high97Very high214 Ų21470.9 Ų70.993%0.9337%0.373SS*.SBendtrans-104.5-7.2172.2-63.6-176.9179178.80112.9
63T96.8Very high97Very high104 Ų10471.2 Ų71.264%0.63838%0.375SS*.SBendtrans-114.9120.4-176.9-52.70000109.3C56 R61C56-T63 PolarHBondContact SG-O 3.44Å; R61-T63 PolarHBondContact NH1-O 2.97Å
64L97.2Very high96.9Very high76 Ų7675.9 Ų75.940%0.39839%0.391SS..  trans-64.2132.6170.8-83.5163.4000110.1A52 C56 D68A52-L64 VanDerWaalsContact C-CD2 3.41Å; A52-L64 HydrophobicContact CB-CD2 3.64Å; A52-L64 WeakPolarHBondContact O-CD2 3.09Å; C56-L64 HydrophobicContact CB-CD2 3.95Å; C56-L64 HydrophobicContact CB-CG 4.42Å; L64-D68 HydrophobicContact CD2-CB 3.96Å
65T96.2Very high96.9Very high51 Ų5177.7 Ų77.731%0.31339%0.394SS..  trans-118.1163.1178.368.10000110.3S67 D68 I69T65-S67 PolarHBondContact O-N 3.31Å; T65-S67 VanDerWaalsContact O-N 3.13Å; T65-S67 PolarHBondContact OG1-N 3.34Å; T65-S67 PolarHBondContact OG1-OG 3.18Å; T65-D68 PolarHBondContact N-OD2 3.37Å; T65-D68 WeakPolarHBondContact O-CB 3.48Å; T65-D68 PolarHBondContact O-N 2.98Å; T65-D68 PolarHBondContact OG1-OD2 3.03Å; T65-I69 PolarHBondContact O-N 3.33Å
66G95.6Very high96.9Very high31 Ų3177.3 Ų77.332%0.3239%0.393SS..Hα-helixtrans-55.8-30.7173.800000113.2D68 I69 L70G66-D68 VanDerWaalsContact C-N 3.32Å; G66-D68 PolarHBondContact O-N 3.12Å; G66-I69 PolarHBondContact O-N 2.98Å; G66-L70 WeakPolarHBondContact O-CG 3.33Å; G66-L70 PolarHBondContact O-N 3.38Å
67S96.2Very high96.9Very high72 Ų7284.9 Ų84.950%0.50343%0.427SS..Hα-helixtrans-65.5-33.5176.671.90000113.3T65 L70 A71T65-S67 PolarHBondContact O-N 3.31Å; T65-S67 VanDerWaalsContact O-N 3.13Å; T65-S67 PolarHBondContact OG1-N 3.34Å; T65-S67 PolarHBondContact OG1-OG 3.18Å; S67-L70 PolarHBondContact O-N 3.11Å; S67-A71 WeakPolarHBondContact O-CB 3.48Å; S67-A71 PolarHBondContact O-N 3.42Å
68D97.5Very high96.9Very high4 Ų481.4 Ų81.42%0.02141%0.41CS..Hα-helixtrans-68.5-39.6176.7-59.4-59.4000111.2A52 H55 C56 R61 L64 T65 G66 A71 A72A52-D68 HydrophobicContact CB-CB 4.07Å; H55-D68 HydrophobicContact CB-CB 4.33Å; C56-D68 PolarHBondContact N-OD1 3.48Å; R61-D68 IonicContact CZ-OD1 3.53Å; R61-D68 IonicContact CZ-OD2 3.47Å; R61-D68 IonicContact NH1-OD1 3.48Å; R61-D68 PolarHBondContact NH1-OD1 3.45Å; R61-D68 IonicContact NH1-OD2 2.72Å; R61-D68 PolarHBondContact NH1-OD2 3.21Å; R61-D68 IonicContact NH2-OD1 2.67Å; R61-D68 PolarHBondContact NH2-OD1 3.17Å; R61-D68 IonicContact NH2-OD2 3.35Å; R61-D68 PolarHBondContact NH2-OD2 3.07Å; L64-D68 HydrophobicContact CD2-CB 3.96Å; T65-D68 PolarHBondContact N-OD2 3.37Å; T65-D68 WeakPolarHBondContact O-CB 3.48Å; T65-D68 PolarHBondContact O-N 2.98Å; T65-D68 PolarHBondContact OG1-OD2 3.03Å; G66-D68 VanDerWaalsContact C-N 3.32Å; G66-D68 PolarHBondContact O-N 3.12Å; D68-A71 PolarHBondContact O-N 2.8Å; D68-A72 WeakPolarHBondContact O-CB 2.98Å; D68-A72 PolarHBondContact O-N 2.92Å
69I97.9Very high96.8Very high59 Ų5976.2 Ų76.230%0.30339%0.391SS..Hα-helixtrans-65.2-44.9177-55.7-67.2000110.4V48 A52 T65 G66 A71 A72 L73V48-I69 HydrophobicContact CG1-CD1 4.42Å; V48-I69 HydrophobicContact CG1-CG2 4.08Å; A52-I69 HydrophobicContact CB-CD1 3.65Å; A52-I69 HydrophobicContact CB-CG1 4.5Å; T65-I69 PolarHBondContact O-N 3.33Å; G66-I69 PolarHBondContact O-N 2.98Å; I69-A71 VanDerWaalsContact C-N 3.35Å; I69-A71 PolarHBondContact O-N 3.24Å; I69-A72 PolarHBondContact O-N 3.43Å; I69-L73 HydrophobicContact CG2-CD1 4.26Å; I69-L73 WeakPolarHBondContact O-CG 3.5Å; I69-L73 PolarHBondContact O-N 3.46Å
70L97.6Very high96.9Very high29 Ų2979.1 Ų79.115%0.15240%0.397CS..Hα-helixtrans-64.8-38.7177.8-66.4172.5000112.2G66 S67 L73 K74 I82 L85 N86 L89G66-L70 WeakPolarHBondContact O-CG 3.33Å; G66-L70 PolarHBondContact O-N 3.38Å; S67-L70 PolarHBondContact O-N 3.11Å; L70-L73 PolarHBondContact O-N 3.01Å; L70-K74 PolarHBondContact O-N 3.08Å; L70-K74 VanDerWaalsContact O-N 3.09Å; L70-I82 HydrophobicContact CD2-CG1 4.44Å; L70-I82 HydrophobicContact CD2-CG2 4.38Å; L70-L85 HydrophobicContact CD2-CB 3.86Å; L70-L85 HydrophobicContact CD2-CD1 4.04Å; L70-N86 WeakPolarHBondContact CD1-OD1 3.48Å; L70-L89 HydrophobicContact CD1-CD1 4Å
71A97.3Very high96.9Very high37 Ų3773.7 Ų73.731%0.30637%0.374SS..Hα-helixtrans-63.8-4317400000111.8S67 D68 I69 K74 E75S67-A71 WeakPolarHBondContact O-CB 3.48Å; S67-A71 PolarHBondContact O-N 3.42Å; D68-A71 PolarHBondContact O-N 2.8Å; I69-A71 VanDerWaalsContact C-N 3.35Å; I69-A71 PolarHBondContact O-N 3.24Å; A71-K74 WeakPolarHBondContact O-CB 3.47Å; A71-K74 PolarHBondContact O-N 2.71Å; A71-E75 PolarHBondContact O-N 3.25Å
72A98.1Very high96.9Very high0 Ų071.6 Ų71.60%037%0.368CS..Hα-helixtrans-62-44.3176.300000112V48 L51 A52 H55 D68 I69 K74 E75 M76V48-A72 HydrophobicContact CG1-CB 4.46Å; L51-A72 HydrophobicContact CB-CB 3.7Å; A52-A72 HydrophobicContact CB-CB 4.03Å; H55-A72 PolarHBondContact CD2-N 3.37Å; H55-A72 PolarHBondContact NE2-N 3.24Å; D68-A72 WeakPolarHBondContact O-CB 2.98Å; D68-A72 PolarHBondContact O-N 2.92Å; I69-A72 PolarHBondContact O-N 3.43Å; A72-K74 VanDerWaalsContact C-N 3.29Å; A72-K74 PolarHBondContact O-N 3.41Å; A72-E75 PolarHBondContact O-N 3.34Å; A72-E75 VanDerWaalsContact O-N 3.16Å; A72-M76 VanDerWaalsContact O-CG 3.26Å; A72-M76 WeakPolarHBondContact O-CG 3.25Å; A72-M76 PolarHBondContact O-N 3.13Å
73L97.9Very high97Very high8 Ų865.8 Ų65.84%0.04235%0.352CS..Hα-helixtrans-62.1-37.7177.1-72171.7000112.3F44 V48 I69 L70 M76 Q77 F78 L85F44-L73 HydrophobicContact CE2-CD2 4.38Å; F44-L73 HydrophobicContact CZ-CD2 3.75Å; V48-L73 HydrophobicContact CG1-CD2 4.5Å; V48-L73 HydrophobicContact CG2-CD2 3.97Å; I69-L73 HydrophobicContact CG2-CD1 4.26Å; I69-L73 WeakPolarHBondContact O-CG 3.5Å; I69-L73 PolarHBondContact O-N 3.46Å; L70-L73 PolarHBondContact O-N 3.01Å; L73-M76 CarbonylContact O-C 3.54Å; L73-M76 PolarHBondContact O-N 3.12Å; L73-Q77 PolarHBondContact O-N 3.21Å; L73-F78 HydrophobicContact CB-CB 4.37Å; L73-F78 HydrophobicContact CD2-CB 4.18Å; L73-F78 PolarHBondContact O-N 3.25Å; L73-L85 HydrophobicContact CD1-CD1 3.3Å
74K97.3Very high97.1Very high131 Ų13163.4 Ų63.457%0.5734%0.343SS*.Hα-helixtrans-63.8-43172.8178.4156.3-169.8179.10112.2L70 A71 A72 M76 Q77 D79 I82L70-K74 PolarHBondContact O-N 3.08Å; L70-K74 VanDerWaalsContact O-N 3.09Å; A71-K74 WeakPolarHBondContact O-CB 3.47Å; A71-K74 PolarHBondContact O-N 2.71Å; A72-K74 VanDerWaalsContact C-N 3.29Å; A72-K74 PolarHBondContact O-N 3.41Å; K74-M76 VanDerWaalsContact C-N 3.25Å; K74-M76 PolarHBondContact O-N 2.77Å; K74-Q77 PolarHBondContact O-N 3.39Å; K74-Q77 VanDerWaalsContact O-N 3.12Å; K74-D79 VanDerWaalsContact CG-OD1 3.28Å; K74-D79 WeakPolarHBondContact CG-OD1 3.31Å; K74-I82 HydrophobicContact CB-CD1 4.04Å
75E96.9Very high97.1Very high118 Ų11862.8 Ų62.855%0.55134%0.34SS*.Hα-helixtrans-63.7-33.4175.2-173166.5156.700112.1H55 A71 A72 Q77H55-E75 IonicContact CE1-OE2 3.21Å; H55-E75 PolarHBondContact CE1-OE2 3.3Å; H55-E75 IonicContact NE2-OE2 3.49Å; H55-E75 PolarHBondContact NE2-OE2 3Å; A71-E75 PolarHBondContact O-N 3.25Å; A72-E75 PolarHBondContact O-N 3.34Å; A72-E75 VanDerWaalsContact O-N 3.16Å; E75-Q77 VanDerWaalsContact C-N 3.25Å; E75-Q77 PolarHBondContact O-N 3.39Å
76M96.2Very high97.1Very high26 Ų2663.3 Ų63.313%0.12834%0.341CS..THydrogen-bonded Turntrans-79.72.6175.2-66.4175.853.500114.6F44 Y47 V48 L51 A72 L73 K74 F78F44-M76 HydrophobicContact CD2-CE 3.76Å; F44-M76 HydrophobicContact CE2-CE 3.59Å; Y47-M76 HydrophobicContact CD1-CE 3.51Å; Y47-M76 HydrophobicContact CD1-CG 4.11Å; Y47-M76 HydrophobicContact CD1-SD 3.63Å; Y47-M76 HydrophobicContact CE1-CE 4.02Å; Y47-M76 HydrophobicContact CE1-CG 3.73Å; Y47-M76 HydrophobicContact CE1-SD 3.91Å; V48-M76 HydrophobicContact CB-SD 4.26Å; V48-M76 HydrophobicContact CG2-CE 3.67Å; V48-M76 HydrophobicContact CG2-SD 3.46Å; V48-M76 WeakPolarHBondContact CG2-SD 3.35Å; L51-M76 HydrophobicContact CD1-CG 3.33Å; L51-M76 HydrophobicContact CD1-SD 3.74Å; A72-M76 VanDerWaalsContact O-CG 3.26Å; A72-M76 WeakPolarHBondContact O-CG 3.25Å; A72-M76 PolarHBondContact O-N 3.13Å; L73-M76 CarbonylContact O-C 3.54Å; L73-M76 PolarHBondContact O-N 3.12Å; K74-M76 VanDerWaalsContact C-N 3.25Å; K74-M76 PolarHBondContact O-N 2.77Å; M76-F78 VanDerWaalsContact C-N 3.29Å; M76-F78 HydrophobicContact CB-CD2 3.59Å; M76-F78 HydrophobicContact CB-CE2 4.04Å; M76-F78 HydrophobicContact CE-CD2 3.84Å; M76-F78 HydrophobicContact CE-CE2 3.61Å; M76-F78 PolarHBondContact O-N 3.31Å
77Q97.4Very high97.2Very high164 Ų16464.5 Ų64.577%0.76634%0.344SS*.THydrogen-bonded Turntrans65.227.3-178.2-50.2177.7-30.800114.3L73 K74 E75L73-Q77 PolarHBondContact O-N 3.21Å; K74-Q77 PolarHBondContact O-N 3.39Å; K74-Q77 VanDerWaalsContact O-N 3.12Å; E75-Q77 VanDerWaalsContact C-N 3.25Å; E75-Q77 PolarHBondContact O-N 3.39Å
78F97.1Very high97.2Very high64 Ų6467.9 Ų67.928%0.28135%0.35SS..  trans-9832.9172.1-69.2-69.9000112.3F44 L73 M76 H80 F81F44-F78 HydrophobicContact CD2-CE2 4.28Å; F44-F78 AromaticContact CE2-CD2 3.89Å; F44-F78 HydrophobicContact CE2-CD2 3.89Å; F44-F78 AromaticContact CE2-CE2 3.67Å; F44-F78 HydrophobicContact CE2-CE2 3.67Å; F44-F78 HydrophobicContact CE2-CZ 4.16Å; L73-F78 HydrophobicContact CB-CB 4.37Å; L73-F78 HydrophobicContact CD2-CB 4.18Å; L73-F78 PolarHBondContact O-N 3.25Å; M76-F78 VanDerWaalsContact C-N 3.29Å; M76-F78 HydrophobicContact CB-CD2 3.59Å; M76-F78 HydrophobicContact CB-CE2 4.04Å; M76-F78 HydrophobicContact CE-CD2 3.84Å; M76-F78 HydrophobicContact CE-CE2 3.61Å; M76-F78 PolarHBondContact O-N 3.31Å; F78-H80 AromaticContact CD1-CE1 3.58Å; F78-H80 PolarHBondContact O-N 3Å; F78-F81 HydrophobicContact CB-CD2 3.81Å; F78-F81 HydrophobicContact CB-CE2 4.18Å; F78-F81 HydrophobicContact CD1-CD2 4.1Å; F78-F81 AromaticContact CD1-CE2 3.58Å; F78-F81 HydrophobicContact CD1-CE2 3.58Å; F78-F81 HydrophobicContact CD1-CZ 4.16Å; F78-F81 HydrophobicContact CE1-CE2 4.27Å; F78-F81 HydrophobicContact CG-CD2 4.19Å; F78-F81 HydrophobicContact CG-CE2 4.06Å; F78-F81 PolarHBondContact O-N 3.24Å
79D96Very high97.1Very high70 Ų7070 Ų7037%0.37436%0.361SS..G310 helixtrans-53.9-30.3-178.3-62.9-104.8000113.6K74 F81 I82K74-D79 VanDerWaalsContact CG-OD1 3.28Å; K74-D79 WeakPolarHBondContact CG-OD1 3.31Å; D79-F81 PolarHBondContact O-N 3.07Å; D79-I82 HydrophobicContact CB-CD1 4.35Å; D79-I82 WeakPolarHBondContact O-CB 3.42Å; D79-I82 WeakPolarHBondContact O-CG1 3.48Å; D79-I82 PolarHBondContact O-N 3.13Å
80H97.1Very high97Very high125 Ų12570.7 Ų70.758%0.57937%0.366SS*.G310 helixtrans-63.5-19.4178.359.2-82.3000113.8F78F78-H80 AromaticContact CD1-CE1 3.58Å; F78-H80 PolarHBondContact O-N 3Å
81F96.9Very high96.9Very high87 Ų8774.6 Ų74.638%0.38238%0.381SS..G310 helixtrans-82.3-20.8173.8-63.6-23.6000113.4F78 D79 A84 L85F78-F81 HydrophobicContact CB-CD2 3.81Å; F78-F81 HydrophobicContact CB-CE2 4.18Å; F78-F81 HydrophobicContact CD1-CD2 4.1Å; F78-F81 AromaticContact CD1-CE2 3.58Å; F78-F81 HydrophobicContact CD1-CE2 3.58Å; F78-F81 HydrophobicContact CD1-CZ 4.16Å; F78-F81 HydrophobicContact CE1-CE2 4.27Å; F78-F81 HydrophobicContact CG-CD2 4.19Å; F78-F81 HydrophobicContact CG-CE2 4.06Å; F78-F81 PolarHBondContact O-N 3.24Å; D79-F81 PolarHBondContact O-N 3.07Å; F81-A84 PolarHBondContact O-N 3.3Å; F81-L85 HydrophobicContact CB-CD1 3.99Å; F81-L85 WeakPolarHBondContact O-CB 3.43Å; F81-L85 WeakPolarHBondContact O-CG 3.29Å; F81-L85 PolarHBondContact O-N 3.33Å
82I97.2Very high96.8Very high33 Ų3379.3 Ų79.317%0.16939%0.392CS..Hα-helixtrans-59.3-45.8-171.8-63.7175.4000112.8L70 K74 D79 A84 L85 N86L70-I82 HydrophobicContact CD2-CG1 4.44Å; L70-I82 HydrophobicContact CD2-CG2 4.38Å; K74-I82 HydrophobicContact CB-CD1 4.04Å; D79-I82 HydrophobicContact CB-CD1 4.35Å; D79-I82 WeakPolarHBondContact O-CB 3.42Å; D79-I82 WeakPolarHBondContact O-CG1 3.48Å; D79-I82 PolarHBondContact O-N 3.13Å; I82-A84 PolarHBondContact O-N 3.48Å; I82-L85 PolarHBondContact O-N 2.93Å; I82-N86 WeakPolarHBondContact CG2-ND2 3.39Å; I82-N86 PolarHBondContact O-N 3.49Å; I82-N86 PolarHBondContact O-ND2 3.32Å
83P97.6Very high96.6Very high93 Ų9386.2 Ų86.260%0.60442%0.418SS*.Hα-helixtrans-60.4-45.1-179.5-24.635.3000113N86 S87P83-N86 PolarHBondContact O-N 3.36Å; P83-S87 PolarHBondContact O-N 3.41Å
84A97.2Very high96.5Very high54 Ų5492.1 Ų92.145%0.44645%0.446SS..Hα-helixtrans-64.3-45.217800000111.1F81 I82 N86 S87 F88F81-A84 PolarHBondContact O-N 3.3Å; I82-A84 PolarHBondContact O-N 3.48Å; A84-N86 PolarHBondContact O-N 3.2Å; A84-S87 WeakPolarHBondContact O-CB 3.37Å; A84-S87 PolarHBondContact O-N 2.95Å; A84-F88 WeakPolarHBondContact O-CD2 3.48Å; A84-F88 PolarHBondContact O-N 3.19Å
85L97.6Very high96.3Very high63 Ų6391.6 Ų91.633%0.3345%0.445SS..Hα-helixtrans-62.9-39.6179-72.1171.1000112.9L70 L73 F81 I82 F88 L89L70-L85 HydrophobicContact CD2-CB 3.86Å; L70-L85 HydrophobicContact CD2-CD1 4.04Å; L73-L85 HydrophobicContact CD1-CD1 3.3Å; F81-L85 HydrophobicContact CB-CD1 3.99Å; F81-L85 WeakPolarHBondContact O-CB 3.43Å; F81-L85 WeakPolarHBondContact O-CG 3.29Å; F81-L85 PolarHBondContact O-N 3.33Å; I82-L85 PolarHBondContact O-N 2.93Å; L85-F88 PolarHBondContact O-N 3.48Å; L85-L89 WeakPolarHBondContact O-CG 3.24Å; L85-L89 PolarHBondContact O-N 2.86Å
86N97.1Very high96Very high61 Ų6189.9 Ų89.933%0.32644%0.44SS..Hα-helixtrans-61.3-45174.2-78.1-37000111.5L70 I82 P83 A84 F88 L89 D90L70-N86 WeakPolarHBondContact CD1-OD1 3.48Å; I82-N86 WeakPolarHBondContact CG2-ND2 3.39Å; I82-N86 PolarHBondContact O-N 3.49Å; I82-N86 PolarHBondContact O-ND2 3.32Å; P83-N86 PolarHBondContact O-N 3.36Å; A84-N86 PolarHBondContact O-N 3.2Å; N86-F88 VanDerWaalsContact C-N 3.3Å; N86-F88 PolarHBondContact O-N 3.05Å; N86-L89 PolarHBondContact O-N 3.42Å; N86-L89 VanDerWaalsContact O-N 3.11Å; N86-D90 PolarHBondContact O-N 3.2Å
87S97.1Very high95.8Very high57 Ų5793.6 Ų93.640%0.39946%0.463SS..Hα-helixtrans-58.9-40.9175.5-174.30000112.3P83 A84 K91P83-S87 PolarHBondContact O-N 3.41Å; A84-S87 WeakPolarHBondContact O-CB 3.37Å; A84-S87 PolarHBondContact O-N 2.95Å; S87-K91 WeakPolarHBondContact O-CG 3.46Å; S87-K91 PolarHBondContact O-N 3.37Å
88F96.7Very high95.4Very high142 Ų14291.9 Ų91.962%0.62345%0.454SS*.Hα-helixtrans-65.1-40.7174.2-76.7-66.9000112.7A84 L85 N86 Y92A84-F88 WeakPolarHBondContact O-CD2 3.48Å; A84-F88 PolarHBondContact O-N 3.19Å; L85-F88 PolarHBondContact O-N 3.48Å; N86-F88 VanDerWaalsContact C-N 3.3Å; N86-F88 PolarHBondContact O-N 3.05Å; F88-Y92 WeakPolarHBondContact O-CB 3.32Å; F88-Y92 PolarHBondContact O-N 3.28Å
89L94.7Very high94.9Very high49 Ų4995.6 Ų95.626%0.25747%0.47SS..Hα-helixtrans-64.8-40.9178.2-76.5175.5000112.4L70 L85 N86 Y92 R93L70-L89 HydrophobicContact CD1-CD1 4Å; L85-L89 WeakPolarHBondContact O-CG 3.24Å; L85-L89 PolarHBondContact O-N 2.86Å; N86-L89 PolarHBondContact O-N 3.42Å; N86-L89 VanDerWaalsContact O-N 3.11Å; L89-Y92 PolarHBondContact O-N 3.49Å; L89-R93 VanDerWaalsContact O-CG 3.3Å; L89-R93 WeakPolarHBondContact O-CG 3.39Å; L89-R93 PolarHBondContact O-N 3.46Å
90D95.6Very high94.3Very high74 Ų74100.1 Ų100.140%0.39649%0.486SS..Hα-helixtrans-67.7-45.8179.7-67-26.2000110.9N86 Y92 R93 E94N86-D90 PolarHBondContact O-N 3.2Å; D90-Y92 VanDerWaalsContact C-N 3.28Å; D90-Y92 PolarHBondContact O-N 2.91Å; D90-R93 WeakPolarHBondContact O-CB 3.3Å; D90-R93 PolarHBondContact O-N 3.26Å; D90-R93 VanDerWaalsContact O-N 3.12Å; D90-R93 IonicContact OD1-NH1 3.07Å; D90-R93 PolarHBondContact OD1-NH1 3.1Å; D90-E94 WeakPolarHBondContact O-CG 3.48Å; D90-E94 PolarHBondContact O-N 3.42Å
91K96.3Very high93.4Very high111 Ų11197.5 Ų97.548%0.48348%0.482SS..Hα-helixtrans-57.2-40.6171.8-71.8175-178.5176.50112.5S87 E94 Q95S87-K91 WeakPolarHBondContact O-CG 3.46Å; S87-K91 PolarHBondContact O-N 3.37Å; K91-E94 PolarHBondContact O-N 3.38Å; K91-Q95 VanDerWaalsContact O-CG 3.31Å; K91-Q95 WeakPolarHBondContact O-CG 3.49Å; K91-Q95 PolarHBondContact O-N 3.4Å; K91-Q95 VanDerWaalsContact O-N 3.12Å
92Y95.4Very high92Very high136 Ų13698.9 Ų98.953%0.53349%0.493SS..Hα-helixtrans-63.5-43.4176.8174.1-102.7000111.9F88 L89 D90 Q95 L96F88-Y92 WeakPolarHBondContact O-CB 3.32Å; F88-Y92 PolarHBondContact O-N 3.28Å; L89-Y92 PolarHBondContact O-N 3.49Å; D90-Y92 VanDerWaalsContact C-N 3.28Å; D90-Y92 PolarHBondContact O-N 2.91Å; Y92-Q95 PolarHBondContact O-N 3.11Å; Y92-L96 HydrophobicContact CD1-CD1 4.08Å; Y92-L96 HydrophobicContact CD1-CG 4.47Å; Y92-L96 HydrophobicContact CE1-CD1 3.45Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.45Å; Y92-L96 HydrophobicContact CE1-CG 4.05Å; Y92-L96 HydrophobicContact CE2-CD2 4.38Å; Y92-L96 HydrophobicContact CE2-CG 4.42Å; Y92-L96 WeakPolarHBondContact O-CG 3.5Å; Y92-L96 PolarHBondContact O-N 3.42Å
93R94Very high90.4Very high144 Ų144106.2 Ų106.254%0.54352%0.524SS..Hα-helixtrans-62.9-43.4177-72165173.4162.3-4.9112.1L89 D90 Q95 L96 V97L89-R93 VanDerWaalsContact O-CG 3.3Å; L89-R93 WeakPolarHBondContact O-CG 3.39Å; L89-R93 PolarHBondContact O-N 3.46Å; D90-R93 WeakPolarHBondContact O-CB 3.3Å; D90-R93 PolarHBondContact O-N 3.26Å; D90-R93 VanDerWaalsContact O-N 3.12Å; D90-R93 IonicContact OD1-NH1 3.07Å; D90-R93 PolarHBondContact OD1-NH1 3.1Å; R93-Q95 VanDerWaalsContact C-N 3.33Å; R93-Q95 PolarHBondContact O-N 3.21Å; R93-L96 WeakPolarHBondContact O-CB 3.33Å; R93-L96 PolarHBondContact O-N 3.38Å; R93-V97 PolarHBondContact O-N 2.9Å; R93-V97 VanDerWaalsContact O-N 3.17Å
94E94.3Very high88.2Confident133 Ų133111.6 Ų111.662%0.62153%0.532SS*.Hα-helixtrans-57.6-45.7175.1-71.2171.5-17300111.5D90 K91 L96 V97 F98D90-E94 WeakPolarHBondContact O-CG 3.48Å; D90-E94 PolarHBondContact O-N 3.42Å; K91-E94 PolarHBondContact O-N 3.38Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.28Å; E94-V97 PolarHBondContact O-N 3.07Å; E94-F98 PolarHBondContact O-N 3.43Å; E94-F98 VanDerWaalsContact O-N 3.07Å
95Q93.4Very high85.8Confident119 Ų119115.1 Ų115.156%0.55655%0.55SS**Hα-helixtrans-64.1-34.1177.8-70.7175.715.800113K91 Y92 R93 K99K91-Q95 VanDerWaalsContact O-CG 3.31Å; K91-Q95 WeakPolarHBondContact O-CG 3.49Å; K91-Q95 PolarHBondContact O-N 3.4Å; K91-Q95 VanDerWaalsContact O-N 3.12Å; Y92-Q95 PolarHBondContact O-N 3.11Å; R93-Q95 VanDerWaalsContact C-N 3.33Å; R93-Q95 PolarHBondContact O-N 3.21Å; Q95-K99 WeakPolarHBondContact O-CG 3.41Å; Q95-K99 PolarHBondContact O-N 3.36Å; Q95-K99 VanDerWaalsContact O-N 3.13Å
96L92.2Very high83.2Confident83 Ų83120.4 Ų120.444%0.43557%0.573SS.*Hα-helixtrans-65.6-39.7174.7-71.9-177.3000112.1Y92 R93 E94 K100Y92-L96 HydrophobicContact CD1-CD1 4.08Å; Y92-L96 HydrophobicContact CD1-CG 4.47Å; Y92-L96 HydrophobicContact CE1-CD1 3.45Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.45Å; Y92-L96 HydrophobicContact CE1-CG 4.05Å; Y92-L96 HydrophobicContact CE2-CD2 4.38Å; Y92-L96 HydrophobicContact CE2-CG 4.42Å; Y92-L96 WeakPolarHBondContact O-CG 3.5Å; Y92-L96 PolarHBondContact O-N 3.42Å; R93-L96 WeakPolarHBondContact O-CB 3.33Å; R93-L96 PolarHBondContact O-N 3.38Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.28Å; L96-K100 PolarHBondContact O-N 3.42Å
97V91.4Very high80.4Confident104 Ų104124.4 Ų124.463%0.6359%0.594SS**Hα-helixtrans-66-44.7177177.30000110.6R93 E94 K99 K100 S101R93-V97 PolarHBondContact O-N 2.9Å; R93-V97 VanDerWaalsContact O-N 3.17Å; E94-V97 PolarHBondContact O-N 3.07Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 3.07Å; V97-K100 WeakPolarHBondContact O-CB 3.4Å; V97-K100 PolarHBondContact O-N 3Å; V97-S101 PolarHBondContact O-N 3.13Å; V97-S101 VanDerWaalsContact O-N 3.11Å
98F87.8Confident78Confident128 Ų128130.3 Ų130.356%0.56162%0.616SS**Hα-helixtrans-60.6-39.2178.5-174-100.1000113E94 K100 S101 N102E94-F98 PolarHBondContact O-N 3.43Å; E94-F98 VanDerWaalsContact O-N 3.07Å; F98-K100 PolarHBondContact O-N 3.14Å; F98-S101 PolarHBondContact O-N 3.4Å; F98-S101 PolarHBondContact O-OG 3.22Å; F98-N102 WeakPolarHBondContact CE1-ND2 3.36Å; F98-N102 WeakPolarHBondContact CZ-ND2 3.36Å; F98-N102 PolarHBondContact O-N 3.15Å
99K86.7Confident75.4Confident142 Ų142133 Ų13362%0.61763%0.627SS**Hα-helixtrans-65.3-26.7175.3-77.5178.6170.1179.30113.1Q95 V97Q95-K99 WeakPolarHBondContact O-CG 3.41Å; Q95-K99 PolarHBondContact O-N 3.36Å; Q95-K99 VanDerWaalsContact O-N 3.13Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 3.07Å
100K83.5Confident72.9Confident164 Ų164138.5 Ų138.571%0.71366%0.657SS**Hα-helixtrans-82.7-34.2178.8-165.5168.7-178.5174.90112.2L96 V97 F98L96-K100 PolarHBondContact O-N 3.42Å; V97-K100 WeakPolarHBondContact O-CB 3.4Å; V97-K100 PolarHBondContact O-N 3Å; F98-K100 PolarHBondContact O-N 3.14Å
101S78.9Confident70.6Confident71 Ų71144 Ų14450%0.49768%0.68SS.*Hα-helixtrans-72.5-34.417756.60000113.2V97 F98 K103V97-S101 PolarHBondContact O-N 3.13Å; V97-S101 VanDerWaalsContact O-N 3.11Å; F98-S101 PolarHBondContact O-N 3.4Å; F98-S101 PolarHBondContact O-OG 3.22Å; S101-K103 VanDerWaalsContact C-N 3.3Å; S101-K103 PolarHBondContact O-N 3.21Å
102N68.3Low68.1Low116 Ų116148.4 Ų148.462%0.6270%0.703SS**THydrogen-bonded Turntrans-78.5-3.5-178.4-84.210.6000115.6F98F98-N102 WeakPolarHBondContact CE1-ND2 3.36Å; F98-N102 WeakPolarHBondContact CZ-ND2 3.36Å; F98-N102 PolarHBondContact O-N 3.15Å
103K62.3Low65.8Low186 Ų186149.1 Ų149.181%0.80971%0.714SS**THydrogen-bonded Turntrans-93.28.1179-75.9-173.8176.5-173.50114.5S101S101-K103 VanDerWaalsContact C-N 3.3Å; S101-K103 PolarHBondContact O-N 3.21Å
104R52Low63.3Low206 Ų206147.2 Ų147.278%0.77772%0.723SS**  trans-139.2115.3176.6-58.6-178.4179.3-157.9-3.1107.1
105P45.6Very low61.1Low128 Ų128148 Ų14883%0.83174%0.737SS**  -155128.567.236-13.8000115.8
106H43Very low58.9Low175 Ų175149.5 Ų149.581%0.8174%0.744SS**  trans-156.889.3157.6-161.5-58.6000111
107N39.8Very low56.9Low144 Ų144153.4 Ų153.477%0.7776%0.757SS**  trans-178.8152.1140.3-103.6-1.9000111.3
108E46.9Very low54.7Low181 Ų181155.4 Ų155.485%0.84676%0.764SS**  trans94.591.1171.5-55.8179.6-17500116
109K40.8Very low52.6Low199 Ų199153.5 Ų153.587%0.86577%0.766SS**  173.190.6124.4-89.2158.1-169.9-1800110.3
110D42.8Very low50.8Low164 Ų164154.6 Ų154.688%0.87777%0.774SS**  trans-160.295.6158.7-84.3-39.4000107.7
111E47.2Very low49.1Very low190 Ų190153.8 Ų153.889%0.88878%0.775SS**  trans-164.981.6152-83.5-133.2161.200108.8
112E43.6Very low47.4Very low204 Ų204155.7 Ų155.795%0.95379%0.786SS**  trans-93.6108.5153.8-83.2-170.2158.600107.6
113I48.5Very low46.1Very low151 Ų151155.8 Ų155.877%0.77480%0.796SS**  trans-118.6116.8165-153.4167.2000111.1
114S40Very low45.4Very low104 Ų104151.9 Ų151.973%0.72779%0.792SS**  trans-56.2138177.146.10000115.1
115T47.9Very low45.3Very low149 Ų149146.9 Ų146.991%0.91479%0.789SS**  trans-142.1132.6147.932.50000111.7
116E47.7Very low45.4Very low151 Ų151146.9 Ų146.971%0.70679%0.786SS**  trans-81.1164-165.2-61.8-170.2124.500116.4
117K50Low45.5Very low165 Ų165143.6 Ų143.672%0.71778%0.783SS**  trans78.1134.2145.8-81.6160.7-176.7152.60116.7
118L44.9Very low45.8Very low146 Ų146145.9 Ų145.976%0.76479%0.789SS**  cis-168.7138.135.6-17158.7000111.5
119S44.9Very low45.8Very low87 Ų87144.7 Ų144.761%0.60879%0.787SS**  trans56.7143.7147.268.70000121
120Q47.4Very low46.4Very low166 Ų166145 Ų14578%0.77679%0.789SS**  cis-172.4133.42.7-109.717123.700108.4
121I47.8Very low46.5Very low147 Ų147146.2 Ų146.275%0.75479%0.789SS**  trans85.4135.3132.7-57.6163.5000120.7
122P43.3Very low46.1Very low110 Ų110147.1 Ų147.171%0.71478%0.784SS**  trans-119.9173.3-158.339.9-21.7000114.4
123S42.5Very low46.3Very low119 Ų119145.1 Ų145.183%0.83278%0.78SS**  trans165.6143155.9-77.40000107.4
124S47.8Very low46.5Very low103 Ų103142.6 Ų142.672%0.7278%0.776SS**  cis-179154.8-9.945.20000104.5
125S49.2Very low46.7Very low102 Ų102144.8 Ų144.871%0.71378%0.779SS**  trans104.3101.5157.7-45.20000119.9
126T47.9Very low46.5Very low127 Ų127143 Ų14378%0.77977%0.768SS**  76.889.9125580000121.6
127S44.9Very low46.2Very low106 Ų106141.5 Ų141.574%0.74177%0.769SS**  22.7120.112960.80000121.4
128H46.2Very low45.9Very low192 Ų192140.7 Ų140.789%0.88977%0.772SS**  trans-148.7118.1139.1-137-45.7000110
129L47.4Very low46.4Very low157 Ų157140.4 Ų140.482%0.82278%0.776SS**  trans-76135.3172.4-71.5115.6000110.5
130K52.1Low46.3Very low206 Ų206144 Ų14490%0.89678%0.783SS**  trans-157.2119.1149.7-122.4175.5-179.3-178.60110.3
131H44.8Very low46.5Very low188 Ų188144 Ų14487%0.8779%0.788SS**  trans-60.2144.7172-101.9-96.3000110.9
132R38.7Very low46.6Very low210 Ų210143.8 Ų143.879%0.79279%0.789SS**  trans-117.8118.9-172.3-178.7175.490.31618106.8
133D49.2Very low47Very low162 Ų162145.7 Ų145.787%0.86679%0.793SS**  trans-127120.9156.6-76.6-50000107.4
134S52.9Low47.7Very low98 Ų98146.9 Ų146.969%0.68579%0.79SS**  trans-130.7105.3-175-570000107.5
135N43.6Very low47.8Very low150 Ų150149 Ų14980%0.80279%0.793SS**  trans21.5148.4134-157.420.4000120.8
136V44.1Very low48.2Very low112 Ų112150 Ų15068%0.67980%0.795SS**  trans85.1127150.7139.90000114
137T40.9Very low48.3Very low118 Ų118150.6 Ų150.672%0.72480%0.798SS**  cis-165.3150.343.5-32.90000110.5
138L43.3Very low48.5Very low148 Ų148148.6 Ų148.678%0.77579%0.794SS**  trans-63144.6157.4-94.986.2000111.2
139V55.2Low48.7Very low140 Ų140146.6 Ų146.685%0.84879%0.79SS**  trans-137.7112.5153.2-88.10000107.4
140E43.2Very low48.5Very low162 Ų162146.2 Ų146.276%0.75779%0.788SS**  trans-85.7174.6153.2-63.4-177157.900107.8
141D52.3Low48.5Very low167 Ų167140.6 Ų140.689%0.89378%0.781SS**  trans104.4135.6-173.8-56.9-22.6000111.2
142D50.3Low48.7Very low143 Ų143139.2 Ų139.277%0.76578%0.78SS**  cis-175.2162.4-3.5-175.616.5000104.6
143D50.2Low49.6Very low149 Ų149137.8 Ų137.880%0.79778%0.782SS**  trans-49.8138.6-174.1-66.1-56.1000115.4
144N57.3Low50.1Low145 Ų145139 Ų13978%0.77578%0.782SS**  trans-152.4105.9148.6-152.519.4000112.9V146N144-V146 PolarHBondContact O-N 2.95Å
145D49.6Very low50.3Low147 Ų147142 Ų14279%0.78679%0.789SS**  trans-52.1118.8157-114.7-37.5000109.3
146V57.9Low51.1Low123 Ų123143.1 Ų143.175%0.74579%0.79SS**  trans-112.992.6163.6172.60000107.7N144N144-V146 PolarHBondContact O-N 2.95Å
147V49.6Very low51.3Low139 Ų139146 Ų14684%0.84280%0.796SS**  trans-74.2124.2155-156.60000106.7
148G50.1Low51.8Low64 Ų64147.2 Ų147.266%0.6680%0.802SS**  trans171.7141.5171.400000108.1
149D49.8Very low52Low150 Ų150147.6 Ų147.680%0.80280%0.8SS**  cis-168.7153.1-8.8-172.213.1000101.5A151D149-A151 PolarHBondContact O-N 3.08Å
150D43.3Very low51.5Low149 Ų149148.2 Ų148.280%0.79780%0.799SS**  trans-47.3125.9-174.8-68.5-68.9000113.1
151A53.4Low52Low89 Ų89148.5 Ų148.574%0.73681%0.805SS**  trans-12891162.500000107.5D149 E153D149-A151 PolarHBondContact O-N 3.08Å; A151-E153 PolarHBondContact O-N 3.48Å
152D47.9Very low51.8Low158 Ų158149.2 Ų149.285%0.84580%0.803SS**  trans-53.997.1160.4-73.1-48.6000108.6
153E58.5Low51.6Low180 Ų180148.1 Ų148.184%0.84180%0.801SS**  trans-88101.5160.8-85.8-172.7170.400107.8A151 I155A151-E153 PolarHBondContact O-N 3.48Å; E153-I155 PolarHBondContact O-N 3.25Å; E153-I155 VanDerWaalsContact O-N 3.11Å
154E58Low51.4Low187 Ų187147.6 Ų147.687%0.87480%0.797SS**  trans-51112.6162.8-70.8-177.5157.200108.8E156E154-E156 PolarHBondContact O-N 3.02Å; E154-E156 VanDerWaalsContact O-N 3.16Å
155I57.9Low50.7Low162 Ų162148.3 Ų148.383%0.83180%0.795SS**  trans-75.8102.7173.1-47.6171.7000105.6E153 E157E153-I155 PolarHBondContact O-N 3.25Å; E153-I155 VanDerWaalsContact O-N 3.11Å; I155-E157 PolarHBondContact O-N 3.11Å
156E59.5Low50.8Low173 Ų173145.9 Ų145.981%0.80879%0.785SS**  trans-58.1123.2170.2-80.5-155.3160.400109.7E154 V158E154-E156 PolarHBondContact O-N 3.02Å; E154-E156 VanDerWaalsContact O-N 3.16Å; E156-V158 PolarHBondContact O-N 2.95Å
157E48.2Very low50.2Low174 Ų174146.5 Ų146.581%0.81379%0.785SS**  trans-60.999.4169.1-72.6177.315100109I155 E159I155-E157 PolarHBondContact O-N 3.11Å; E157-E159 VanDerWaalsContact C-N 3.3Å; E157-E159 PolarHBondContact O-N 2.99Å; E157-E159 VanDerWaalsContact O-N 3.13Å
158V53Low50.1Low142 Ų142146.3 Ų146.386%0.86178%0.779SS**  trans-78.786.7161.9-79.70000108.4E156E156-V158 PolarHBondContact O-N 2.95Å
159E47.5Very low50Low156 Ų156150.2 Ų150.273%0.72979%0.785SS**  trans-67.3156.1160.9-66.1-170.9144.100110.2E157E157-E159 VanDerWaalsContact C-N 3.3Å; E157-E159 PolarHBondContact O-N 2.99Å; E157-E159 VanDerWaalsContact O-N 3.13Å
160D44Very low50Low153 Ų153150.4 Ų150.482%0.81879%0.786SS**  trans88.164.8175.4-51.5-23.9000117.5
161L53.5Low50.2Low168 Ų168149.8 Ų149.888%0.8879%0.787SS**  trans-81.9109.7149-132.180.5000108.3V163L161-V163 PolarHBondContact O-N 3.1Å
162E47.9Very low49.8Very low183 Ų183152.7 Ų152.786%0.85579%0.789SS**  trans-55.8108.9172.4-86.9-176.4148.900110.3I164E162-I164 PolarHBondContact O-N 3.1Å; E162-I164 VanDerWaalsContact O-N 3.14Å
163V46.6Very low49.7Very low119 Ų119152.9 Ų152.972%0.72178%0.784SS**  trans-73.3100.2168.9-177.20000107.3L161 E165L161-V163 PolarHBondContact O-N 3.1Å; V163-E165 HydrophobicContact CG1-CG 4.02Å; V163-E165 PolarHBondContact O-N 3.35Å; V163-E165 VanDerWaalsContact O-N 3.1Å
164I45.8Very low49.2Very low138 Ų138150.3 Ų150.371%0.70878%0.781SS**  trans-75.695.8166.3-55.3175.4000106.8E162 V166E162-I164 PolarHBondContact O-N 3.1Å; E162-I164 VanDerWaalsContact O-N 3.14Å; I164-V166 HydrophobicContact CG2-CG2 3.76Å; I164-V166 PolarHBondContact O-N 3.45Å; I164-V166 VanDerWaalsContact O-N 3.1Å
165E42.1Very low48.6Very low160 Ų160146.1 Ų146.175%0.74877%0.768SS**  trans-67.4103.1165.2-64.5-159.5162.100108.3V163V163-E165 HydrophobicContact CG1-CG 4.02Å; V163-E165 PolarHBondContact O-N 3.35Å; V163-E165 VanDerWaalsContact O-N 3.1Å
166V51.5Low47.7Very low96 Ų96146.3 Ų146.358%0.58277%0.771SS**  trans-93.796.4167.3-173.30000107.2I164 N168I164-V166 HydrophobicContact CG2-CG2 3.76Å; I164-V166 PolarHBondContact O-N 3.45Å; I164-V166 VanDerWaalsContact O-N 3.1Å; V166-N168 PolarHBondContact O-N 2.76Å; V166-N168 PolarHBondContact O-ND2 3.17Å
167D46.3Very low47.2Very low137 Ų137142.3 Ų142.373%0.73376%0.762SS**  trans-53.2105.4164.5-71.6-39.9000108.4D169D167-D169 VanDerWaalsContact C-N 3.33Å; D167-D169 PolarHBondContact O-N 3.39Å
168N48.3Very low46.8Very low134 Ų134142.5 Ų142.572%0.71776%0.762SS**  trans-99.960.3175.2-76.4-80.8000109.2V166V166-N168 PolarHBondContact O-N 2.76Å; V166-N168 PolarHBondContact O-ND2 3.17Å
169D47.1Very low46.6Very low146 Ų146143.7 Ų143.778%0.78176%0.763SS**  trans-109.575.3166.9-78.9-28.6000108.4D167D167-D169 VanDerWaalsContact C-N 3.33Å; D167-D169 PolarHBondContact O-N 3.39Å
170D50.2Low46.7Very low154 Ų154143.9 Ų143.982%0.82476%0.763SS**  trans-145.698.1158.5-90.4-38000110.2I172D170-I172 PolarHBondContact O-N 3.39Å
171V46.2Very low46.5Very low136 Ų136145.9 Ų145.982%0.82477%0.768SS**  trans-70.2107.7163.8171.50000107.1E173V171-E173 HydrophobicContact CG1-CB 4.45Å; V171-E173 PolarHBondContact O-N 3.45Å
172I46.8Very low46.1Very low150 Ų150141.7 Ų141.777%0.76977%0.765SS**  trans-89.196.1164.9-58.6178.1000107.5D170 V174D170-I172 PolarHBondContact O-N 3.39Å; I172-V174 HydrophobicContact CG2-CG2 3.8Å; I172-V174 PolarHBondContact O-N 3.4Å
173E44.3Very low45.9Very low162 Ų162140.8 Ų140.876%0.75776%0.764SS**  trans-78.8103.7167.6-156.7178.8-150.500107.8V171 T175V171-E173 HydrophobicContact CG1-CB 4.45Å; V171-E173 PolarHBondContact O-N 3.45Å; E173-T175 HydrophobicContact CG-CG2 4.22Å; E173-T175 PolarHBondContact O-N 3.38Å
174V48.2Very low46.3Very low127 Ų127141.7 Ų141.777%0.7777%0.77SS**  trans-90.892.6170-1680000107I172 D176I172-V174 HydrophobicContact CG2-CG2 3.8Å; I172-V174 PolarHBondContact O-N 3.4Å; V174-D176 PolarHBondContact O-N 3.42Å
175T44.7Very low46.3Very low98 Ų98145.2 Ų145.260%0.60177%0.774SS**  trans-75.5114168.354.60000108.9E173 S177E173-T175 HydrophobicContact CG-CG2 4.22Å; E173-T175 PolarHBondContact O-N 3.38Å; T175-S177 PolarHBondContact O-N 3.34Å
176D40.8Very low46.7Very low166 Ų166145 Ų14589%0.88878%0.778SS**  trans-77.6102.8168.8-1551.8000107.9V174V174-D176 PolarHBondContact O-N 3.42Å
177S47.9Very low46.6Very low90 Ų90146.2 Ų146.263%0.62978%0.781SS**  trans-147.3104.7171.564.80000111.7T175T175-S177 PolarHBondContact O-N 3.34Å
178H39.9Very low47.2Very low177 Ų177147.1 Ų147.182%0.81978%0.781SS**  trans7.6118.4146-97.548.3000116.9
179I48.1Very low47.7Very low168 Ų168148.9 Ų148.986%0.86279%0.79SS**  trans-131.5111.2152.7-62.8-177.9000108.7
180E49.6Very low47.9Very low160 Ų160145.1 Ų145.175%0.74879%0.785SS**  trans-74146.6164.5-75.1-174.3150.700111.4
181E41.5Very low48Very low195 Ų195143.8 Ų143.891%0.91179%0.788SS**  trans36.2117.1149.5-59.6-166.3159.700120.8
182G44.9Very low48.2Very low79 Ų79140.5 Ų140.581%0.81478%0.782SS**  trans-175.885.4166.200000114.3
183I44Very low48.6Very low164 Ų164141.2 Ų141.284%0.84179%0.785SS**  trans-48.8136.1171.7-62.7159.8000112.2
184V53.2Low49.3Very low138 Ų138137.7 Ų137.784%0.83678%0.778SS**  -171.6136.9122.5174.70000110.9
185R46.5Very low49.4Very low212 Ų212138.8 Ų138.880%0.878%0.78SS**  trans-58.5152.1-177.5-60.1166.2174.1146-1.9115.7
186N50.5Low50.1Low157 Ų157141 Ų14184%0.8479%0.788SS**  -162147.4114.8-112.413.1000113.8
187D50Low50.9Low120 Ų120139.6 Ų139.664%0.64278%0.781SS**  trans-69.3155-165.9-59.9-59.4000116.1
188Q58.6Low51.6Low157 Ų157142 Ų14273%0.73479%0.786SS**  124.8127.3112.2-138.1109.276.900115.9
189L57.7Low52.6Low171 Ų171139.7 Ų139.790%0.89578%0.78SS**  trans81.8121.1158.6-44.3176.4000116
190G51.6Low53.1Low66 Ų66138.7 Ų138.768%0.6878%0.776SS**  cis165.5143.83.600000110
191S52.8Low53.6Low127 Ų127138.1 Ų138.189%0.88878%0.779SS**  trans47.5125.9162.968.20000119.5
192G50.4Low54.4Low67 Ų67136 Ų13669%0.69177%0.773SS**  cis109.5118.523.800000110.3
193I55.8Low55.3Low164 Ų164139.6 Ų139.684%0.84177%0.774SS**  trans155.291.2161.7-85.8154.4000106.6
194S57.7Low56.1Low88 Ų88138.2 Ų138.262%0.61577%0.769SS**  62.9107.299.564.10000112.2
195D50.9Low56.6Low150 Ų150139.9 Ų139.980%0.80277%0.773SS**  56.5141.971.9-64-25.9000112.8
196D60.4Low57.4Low146 Ų146136.5 Ų136.578%0.78177%0.77SS**  trans10988.8-179.9-52.2-21.2000111.3
197D57.4Low58Low136 Ų136136.5 Ų136.573%0.72777%0.771SS**  69.5140.871-70.3-30.8000113.8
198D61.8Low58.9Low140 Ų140138.3 Ų138.375%0.74978%0.78SS**  trans77.2139.9157.7-52.4-24.2000116.6
199D61.7Low59.2Low129 Ų129138.1 Ų138.169%0.6978%0.784SS**  cis-167.5137.61.1-88.9-34.2000103.5
200D57.8Low59.7Low146 Ų146133.5 Ų133.578%0.78178%0.778SS**  48.9150.1105.9-74.5-23.6000118
201D61.6Low60.5Low148 Ų148139.9 Ų139.979%0.79179%0.79SS**  trans96.696171.8-51.3-28.8000115
202D58Low61Low150 Ų150141.3 Ų141.380%0.80279%0.788SS**  53.4113.175.7-72.4-24.4000113
203D62.8Low61.4Low156 Ų156145.8 Ų145.883%0.83480%0.796SS**  trans179.597.3152.6-86-28.3000105.6
204D60.9Low61.4Low135 Ų135140.9 Ų140.972%0.72279%0.786SS**  55.6113.189.9-76.5-18.1000113
205D64.6Low61.4Low172 Ų172142 Ų14292%0.9279%0.793SS**  trans-163.793145.4-90.1-30.2000108.5
206D62.2Low61.9Low141 Ų141139.5 Ų139.575%0.75479%0.788SS**  trans-56.6152.1158-74-52000111.2
207D63.6Low61.9Low158 Ų158141.3 Ų141.385%0.84579%0.792SS**  trans159.198.5141-82.8-24.4000110.4
208D68.8Low61.9Low158 Ų158142.9 Ų142.985%0.84580%0.8SS**  trans-160.582.8146.3-158.816.4000111.4
209D64Low61.4Low152 Ų152142.4 Ų142.481%0.81380%0.802SS**  trans-93.791.9173.7-58.1-5.3000109.4E211D209-E211 PolarHBondContact O-N 3.39Å
210G68.9Low61.4Low74 Ų74145.3 Ų145.376%0.76381%0.812SS**  trans-76.9111.117100000112.5
211E68.3Low61.5Low200 Ų200142.7 Ų142.794%0.93581%0.81SS**  trans-63.1130.1171.6-62.5-179.7155.600112.6D209D209-E211 PolarHBondContact O-N 3.39Å
212D62.8Low61.4Low157 Ų157143.3 Ų143.384%0.8481%0.813SS**  trans-133102.6163.7-179.929.1000109.4
213D59Low61.8Low162 Ų162143.2 Ų143.287%0.86681%0.812SS**  trans-143.1133.4149.279.94.6000111.1
214G56.3Low61.7Low61 Ų61144.6 Ų144.663%0.62981%0.814SS**  trans-163.814.5-160.300000119.2
215S57.4Low61.9Low110 Ų110144.5 Ų144.577%0.76981%0.813SS**  trans64148.2149.383.70000121.9
216S62Low61.8Low98 Ų98144.6 Ų144.669%0.68581%0.808SS**  trans92.991.6141.4-53.10000119.8
217Q60.4Low62.1Low185 Ų185144.7 Ų144.786%0.86481%0.809SS**  46.5113.5119-62.7-174.5-14.400118.6
218N56.5Low62.2Low169 Ų169143.7 Ų143.790%0.90480%0.802SS**  trans-136.7121.7142.5-112.6-4.1000109.8
219T51.6Low61.6Low129 Ų129147.8 Ų147.879%0.79182%0.822SS**  trans-109.6115.9172.849.10000108.2
220E61.2Low61.5Low191 Ų191147.6 Ų147.689%0.89382%0.823SS**  trans-175.1140.7166.7-110.6174.3168.100105
221A60.9Low61.1Low91 Ų91151.4 Ų151.475%0.75283%0.826SS**  cis-157156.63.400000107.1
222L59.9Low60.7Low161 Ų161148.7 Ų148.784%0.84382%0.82SS**  trans-58.8135.6170.9-65.2159.5000110.7
223N64.9Low60.6Low147 Ų147148.2 Ų148.279%0.78682%0.819SS**  trans-148.587.8155.4-122.53.9000108.4
224E60.8Low60.7Low186 Ų186147.4 Ų147.487%0.86982%0.816SS**  trans-85.3110.9156.4-73.1179.1170.300106.3
225N66.1Low61Low132 Ų132153.1 Ų153.171%0.70683%0.828SS**  trans-135.6120.4158.4-83.9-43.7000107.9
226E61.5Low61.2Low175 Ų175156.2 Ų156.282%0.81883%0.832SS**  trans-1.1127.5152.8-63.7171.2143.700116.7
227D70.1Confident61.2Low143 Ų143160.7 Ų160.777%0.76584%0.844SS**  -160.6109.3128.6-94-22.2000109.3
228I64.9Low61.2Low137 Ų137158.7 Ų158.770%0.70384%0.842SS**  89.1118103.6-65.5167.6000112.9
229L56.3Low61.7Low243 Ų243157.7 Ų157.7100%1.27284%0.836SS**  trans81.10166.9-87150.3000119.4

Retrieved 229 of 229 residues in 47.5 ms (Link to these results)