A0A087WWQ6_HUMAN Loading...

SSX family member 3

AlphaFold DB , UniProt , Accession A0A087WWQ6, Species HUMAN (Homo sapiens, Human), Gene SSX3, Length 202 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
1M38.5Very low49.9Very low238 Ų238151.8 Ų151.8100%1.17280%0.796SS**  0109.60-76.9157.960.900106.4
2N41.8Very low49.9Very low152 Ų152150.8 Ų150.881%0.81380%0.8SS**  trans-98.1125.9176.6-61.8-2.3000106.6
3G49.8Very low49.7Very low76 Ų76146 Ų14678%0.78478%0.78SS**  trans-102.8101.1-177.800000109.9D5G3-D5 PolarHBondContact O-N 3.32Å
4D50.9Low49.2Very low126 Ų126139.7 Ų139.767%0.67477%0.767SS**  trans-81.482-171.6-54.1-20.8000110.7T6D4-T6 VanDerWaalsContact C-N 3.28Å; D4-T6 HydrophobicContact CB-CG2 4.46Å; D4-T6 PolarHBondContact O-N 3.26Å; D4-T6 PolarHBondContact O-OG1 3.05Å
5D54.7Low49.8Very low137 Ų137136.6 Ų136.673%0.73377%0.767SS**  trans-67.583.7177.3-172.814.8000111.6G3G3-D5 PolarHBondContact O-N 3.32Å
6T56.3Low50.8Low108 Ų108137.4 Ų137.466%0.66376%0.763SS**  trans-112.57.4-172.741.80000113D4D4-T6 VanDerWaalsContact C-N 3.28Å; D4-T6 HydrophobicContact CB-CG2 4.46Å; D4-T6 PolarHBondContact O-N 3.26Å; D4-T6 PolarHBondContact O-OG1 3.05Å
7F51Low51.7Low188 Ų188132.4 Ų132.483%0.82573%0.734SS**  trans-97.5-1.5-176.3-70.2-77.7000114.7R9F7-R9 PolarHBondContact O-N 2.99Å; F7-R9 VanDerWaalsContact O-N 3.14Å
8A50.3Low53.2Low80 Ų80127.7 Ų127.766%0.66171%0.711SS**  trans-7814-178.200000115.9R10A8-R10 VanDerWaalsContact C-N 3.26Å; A8-R10 PolarHBondContact O-N 2.88Å
9R53.5Low54.6Low236 Ų236129.7 Ų129.789%0.89171%0.714SS**  trans-80.674.2165.4-103.9-170.8177.7-1691.1110.7F7 P11F7-R9 PolarHBondContact O-N 2.99Å; F7-R9 VanDerWaalsContact O-N 3.14Å; R9-P11 VanDerWaalsContact O-CD 3.29Å; R9-P11 WeakPolarHBondContact O-CD 3.3Å
10R55.1Low55.8Low220 Ų220130.3 Ų130.383%0.8371%0.709SS**  trans-55.8123158.9-70.7-173.6-179.4-173.50.8107.8A8 T12A8-R10 VanDerWaalsContact C-N 3.26Å; A8-R10 PolarHBondContact O-N 2.88Å; R10-T12 PolarHBondContact O-N 3.49Å
11P47.3Very low57.1Low109 Ų109125 Ų12571%0.70868%0.68SS**  trans-69.2100.6170.2-14.129.6000107.5R9 V13R9-P11 VanDerWaalsContact O-CD 3.29Å; R9-P11 WeakPolarHBondContact O-CD 3.3Å; P11-V13 HydrophobicContact CB-CG2 3.79Å; P11-V13 PolarHBondContact O-N 3.35Å
12T49.4Very low59.4Low139 Ų139118.1 Ų118.185%0.85365%0.645SS**  trans-71.857.6164-49.70000108.8R10 G14R10-T12 PolarHBondContact O-N 3.49Å; T12-G14 PolarHBondContact O-N 3.05Å
13V47.2Very low61.7Low89 Ų89118.6 Ų118.654%0.53964%0.64SS.*  trans-7777.4167.6-179.50000105.6P11 A15 Q16P11-V13 HydrophobicContact CB-CG2 3.79Å; P11-V13 PolarHBondContact O-N 3.35Å; V13-A15 PolarHBondContact O-N 3.36Å; V13-Q16 HydrophobicContact CG1-CB 4.25Å; V13-Q16 HydrophobicContact CG1-CG 4.13Å
14G43.6Very low63.6Low58 Ų58115.6 Ų115.660%0.59861%0.607SS**  trans-51124.2163.900000107.5T12 Q16T12-G14 PolarHBondContact O-N 3.05Å; G14-Q16 VanDerWaalsContact C-N 3.34Å; G14-Q16 WeakPolarHBondContact O-CG 3.36Å; G14-Q16 PolarHBondContact O-N 3.16Å
15A57.2Low65.7Low93 Ų93110.3 Ų110.377%0.76958%0.578SS**  trans-41.986.8-15500000115.1V13 I17V13-A15 PolarHBondContact O-N 3.36Å; A15-I17 PolarHBondContact O-N 2.93Å
16Q66.2Low67.5Low150 Ų150109 Ų10970%0.70157%0.571SS**PPolyproline II helixtrans-72.6122.9176.2-68.3-15978.900107.9V13 G14 P18V13-Q16 HydrophobicContact CG1-CB 4.25Å; V13-Q16 HydrophobicContact CG1-CG 4.13Å; G14-Q16 VanDerWaalsContact C-N 3.34Å; G14-Q16 WeakPolarHBondContact O-CG 3.36Å; G14-Q16 PolarHBondContact O-N 3.16Å; Q16-P18 WeakPolarHBondContact O-CD 3.47Å; Q16-P18 VanDerWaalsContact O-N 3.13Å
17I66.7Low69.1Low51 Ų51106.6 Ų106.626%0.26255%0.554SS.*PPolyproline II helixtrans-61.2116.7176.4-61.1172.6000106.9A15 E19 I21 Q22 F25 V42A15-I17 PolarHBondContact O-N 2.93Å; I17-E19 PolarHBondContact O-N 2.82Å; I17-I21 HydrophobicContact CG2-CB 3.78Å; I17-I21 HydrophobicContact CG2-CG2 3.7Å; I17-Q22 HydrophobicContact CB-CG 4.19Å; I17-Q22 HydrophobicContact CG2-CG 3.82Å; I17-Q22 PolarHBondContact O-NE2 2.97Å; I17-F25 HydrophobicContact CD1-CE2 4.16Å; I17-F25 HydrophobicContact CG2-CE2 4.32Å; I17-V42 HydrophobicContact CD1-CG1 4.43Å; I17-V42 HydrophobicContact CD1-CG2 4.45Å
18P78.6Confident71.1Confident49 Ų4997.7 Ų97.732%0.31852%0.515SS..PPolyproline II helixtrans-53.9140.8-178.5-26.333.1000111.4Q16 K20 I21 Q22 A192Q16-P18 WeakPolarHBondContact O-CD 3.47Å; Q16-P18 VanDerWaalsContact O-N 3.13Å; P18-K20 PolarHBondContact O-N 3.06Å; P18-I21 HydrophobicContact CB-CD1 4.5Å; P18-I21 HydrophobicContact CB-CG1 4.32Å; P18-I21 HydrophobicContact CG-CD1 4.16Å; P18-I21 WeakPolarHBondContact O-CA 3.33Å; P18-I21 WeakPolarHBondContact O-CB 3.4Å; P18-I21 PolarHBondContact O-N 3.32Å; P18-Q22 PolarHBondContact O-N 3.41Å; P18-Q22 VanDerWaalsContact O-N 3.12Å; P18-A192 HydrophobicContact CG-CB 4.44Å
19E79.9Confident73.1Confident165 Ų16595 Ų9577%0.77149%0.493SS*.Hα-helixtrans-51.4-37.2-176.4-62174.9172.700113I17 I21 Q22 K23I17-E19 PolarHBondContact O-N 2.82Å; E19-I21 PolarHBondContact O-N 3.34Å; E19-Q22 PolarHBondContact O-N 2.87Å; E19-K23 PolarHBondContact O-N 3.05Å
20K78.5Confident74.9Confident141 Ų14187.9 Ų87.961%0.61347%0.469SS*.Hα-helixtrans-59.1-32175.3-62.5178-1781740113.1P18 A24P18-K20 PolarHBondContact O-N 3.06Å; K20-A24 PolarHBondContact O-N 3.01Å
21I81.8Confident76.6Confident19 Ų1979.2 Ų79.210%0.09744%0.436CS..Hα-helixtrans-83.4-37.3177.6-56.5-171.6000110.3I17 P18 E19 A24 F25 W191 L195I17-I21 HydrophobicContact CG2-CB 3.78Å; I17-I21 HydrophobicContact CG2-CG2 3.7Å; P18-I21 HydrophobicContact CB-CD1 4.5Å; P18-I21 HydrophobicContact CB-CG1 4.32Å; P18-I21 HydrophobicContact CG-CD1 4.16Å; P18-I21 WeakPolarHBondContact O-CA 3.33Å; P18-I21 WeakPolarHBondContact O-CB 3.4Å; P18-I21 PolarHBondContact O-N 3.32Å; E19-I21 PolarHBondContact O-N 3.34Å; I21-A24 CarbonylContact O-C 3.6Å; I21-A24 WeakPolarHBondContact O-CB 3.31Å; I21-A24 PolarHBondContact O-N 3.05Å; I21-A24 VanDerWaalsContact O-N 3.13Å; I21-F25 HydrophobicContact CG2-CD1 4.31Å; I21-F25 HydrophobicContact CG2-CE1 3.87Å; I21-F25 HydrophobicContact CG2-CE2 4.25Å; I21-F25 HydrophobicContact CG2-CZ 3.83Å; I21-F25 WeakPolarHBondContact O-CG 3.27Å; I21-F25 PolarHBondContact O-N 3.4Å; I21-W191 HydrophobicContact CD1-CE3 4.37Å; I21-W191 HydrophobicContact CD1-CH2 3.72Å; I21-W191 HydrophobicContact CD1-CZ3 3.48Å; I21-W191 VanDerWaalsContact CD1-CZ3 3.48Å; I21-L195 HydrophobicContact CD1-CD1 3.53Å; I21-L195 HydrophobicContact CG1-CD1 4.5Å
22Q87.9Confident78.6Confident94 Ų9475 Ų7544%0.43941%0.407SS..Hα-helixtrans-58.4-48.7171.8-58.2-172.12400111I17 P18 E19 A24 F25 D26I17-Q22 HydrophobicContact CB-CG 4.19Å; I17-Q22 HydrophobicContact CG2-CG 3.82Å; I17-Q22 PolarHBondContact O-NE2 2.97Å; P18-Q22 PolarHBondContact O-N 3.41Å; P18-Q22 VanDerWaalsContact O-N 3.12Å; E19-Q22 PolarHBondContact O-N 2.87Å; Q22-A24 PolarHBondContact O-N 3.45Å; Q22-F25 CarbonylContact O-C 3.56Å; Q22-F25 WeakPolarHBondContact O-CA 3.49Å; Q22-F25 VanDerWaalsContact O-CB 3.3Å; Q22-F25 WeakPolarHBondContact O-CB 3.45Å; Q22-F25 PolarHBondContact O-N 3.27Å; Q22-D26 PolarHBondContact O-N 2.96Å
23K90.3Very high80.5Confident163 Ų16371.2 Ų71.271%0.70939%0.386SS*.Hα-helixtrans-57.4-34.3174.5-174.6172.5-177.3172.90113.5E19 D27E19-K23 PolarHBondContact O-N 3.05Å; K23-D27 WeakPolarHBondContact O-CB 3.48Å; K23-D27 PolarHBondContact O-N 3.37Å
24A89.7Confident82.5Confident12 Ų1274.4 Ų74.410%0.09939%0.393CS..Hα-helixtrans-73.6-31.7174.400000112.3K20 I21 Q22 I28 V49K20-A24 PolarHBondContact O-N 3.01Å; I21-A24 CarbonylContact O-C 3.6Å; I21-A24 WeakPolarHBondContact O-CB 3.31Å; I21-A24 PolarHBondContact O-N 3.05Å; I21-A24 VanDerWaalsContact O-N 3.13Å; Q22-A24 PolarHBondContact O-N 3.45Å; A24-I28 VanDerWaalsContact O-CG1 3.3Å; A24-I28 WeakPolarHBondContact O-CG1 3.32Å; A24-I28 PolarHBondContact O-N 3.39Å; A24-V49 HydrophobicContact CB-CG1 3.96Å; A24-V49 HydrophobicContact CB-CG2 4.09Å
25F93.8Very high84.7Confident16 Ų1677.3 Ų77.37%0.0739%0.391CS..Hα-helixtrans-67.7-44.7172-75.6-0.6000111.6I17 I21 Q22 D27 I28 A29 W37 V42 K45 I46 V49I17-F25 HydrophobicContact CD1-CE2 4.16Å; I17-F25 HydrophobicContact CG2-CE2 4.32Å; I21-F25 HydrophobicContact CG2-CD1 4.31Å; I21-F25 HydrophobicContact CG2-CE1 3.87Å; I21-F25 HydrophobicContact CG2-CE2 4.25Å; I21-F25 HydrophobicContact CG2-CZ 3.83Å; I21-F25 WeakPolarHBondContact O-CG 3.27Å; I21-F25 PolarHBondContact O-N 3.4Å; Q22-F25 CarbonylContact O-C 3.56Å; Q22-F25 WeakPolarHBondContact O-CA 3.49Å; Q22-F25 VanDerWaalsContact O-CB 3.3Å; Q22-F25 WeakPolarHBondContact O-CB 3.45Å; Q22-F25 PolarHBondContact O-N 3.27Å; F25-D27 VanDerWaalsContact C-N 3.33Å; F25-D27 PolarHBondContact O-N 3.23Å; F25-I28 CarbonylContact O-C 3.57Å; F25-I28 PolarHBondContact O-N 3.44Å; F25-A29 WeakPolarHBondContact O-CB 2.79Å; F25-A29 PolarHBondContact O-N 3.27Å; F25-W37 HydrophobicContact CB-CZ2 3.86Å; F25-W37 HydrophobicContact CG-CZ2 4.23Å; F25-W37 VanDerWaalsContact O-CZ2 3.26Å; F25-W37 WeakPolarHBondContact O-CZ2 3.31Å; F25-V42 HydrophobicContact CE2-CG1 4.1Å; F25-V42 HydrophobicContact CZ-CG1 3.98Å; F25-K45 HydrophobicContact CD1-CB 4.04Å; F25-K45 HydrophobicContact CD2-CD 4.4Å; F25-K45 HydrophobicContact CE1-CB 3.71Å; F25-K45 HydrophobicContact CE2-CB 4.24Å; F25-K45 HydrophobicContact CE2-CD 4.41Å; F25-K45 HydrophobicContact CG-CB 4.45Å; F25-K45 HydrophobicContact CZ-CB 3.83Å; F25-I46 HydrophobicContact CE1-CG1 3.93Å; F25-I46 HydrophobicContact CZ-CG1 3.83Å; F25-V49 HydrophobicContact CD1-CG2 3.68Å; F25-V49 HydrophobicContact CE1-CG2 3.98Å
26D92.4Very high86.2Confident108 Ų10876.1 Ų76.158%0.57837%0.369SS*.Hα-helixtrans-61.5-41.5178.3-57.1-36.2000112.1Q22 I28 A29Q22-D26 PolarHBondContact O-N 2.96Å; D26-I28 PolarHBondContact O-N 2.96Å; D26-A29 PolarHBondContact O-N 2.87Å
27D91.6Very high87.4Confident58 Ų5870.4 Ų70.431%0.3134%0.341SS..Hα-helixtrans-66.8-19.2176.4175.357.2000113.8K23 F25 K30 Y31 K52K23-D27 WeakPolarHBondContact O-CB 3.48Å; K23-D27 PolarHBondContact O-N 3.37Å; F25-D27 VanDerWaalsContact C-N 3.33Å; F25-D27 PolarHBondContact O-N 3.23Å; D27-K30 VanDerWaalsContact O-CD 3.3Å; D27-K30 WeakPolarHBondContact O-CD 3.44Å; D27-K30 WeakPolarHBondContact O-CE 3.25Å; D27-K30 WeakPolarHBondContact O-CG 3.36Å; D27-K30 WeakPolarHBondContact OD1-CE 3.49Å; D27-K30 IonicContact OD1-NZ 2.67Å; D27-K30 PolarHBondContact OD1-NZ 2.93Å; D27-Y31 WeakPolarHBondContact O-CE2 3.3Å; D27-K52 IonicContact OD1-NZ 3.66Å; D27-K52 PolarHBondContact OD1-NZ 3.27Å; D27-K52 VanDerWaalsContact OD2-CE 3.3Å; D27-K52 WeakPolarHBondContact OD2-CE 3.2Å; D27-K52 IonicContact OD2-NZ 2.85Å; D27-K52 PolarHBondContact OD2-NZ 3.25Å
28I92.7Very high88.6Confident1 Ų173.9 Ų73.91%0.00536%0.357CS..Hα-helixtrans-92.3-38.5170.4-65.9-68.2000111.9A24 F25 D26 K30 Y31 F32 W37 Y48 V49 K52 F70A24-I28 VanDerWaalsContact O-CG1 3.3Å; A24-I28 WeakPolarHBondContact O-CG1 3.32Å; A24-I28 PolarHBondContact O-N 3.39Å; F25-I28 CarbonylContact O-C 3.57Å; F25-I28 PolarHBondContact O-N 3.44Å; D26-I28 PolarHBondContact O-N 2.96Å; I28-K30 PolarHBondContact O-N 2.71Å; I28-Y31 VanDerWaalsContact O-CD2 3.32Å; I28-Y31 WeakPolarHBondContact O-CD2 3.45Å; I28-Y31 PolarHBondContact O-N 3.47Å; I28-F32 HydrophobicContact CG2-CD2 4.19Å; I28-F32 HydrophobicContact CG2-CE2 3.66Å; I28-F32 WeakPolarHBondContact O-CD2 3.37Å; I28-W37 HydrophobicContact CB-CH2 3.81Å; I28-W37 HydrophobicContact CB-CZ2 4.48Å; I28-W37 HydrophobicContact CB-CZ3 4.35Å; I28-W37 HydrophobicContact CG2-CH2 3.4Å; I28-W37 VanDerWaalsContact CG2-CH2 3.4Å; I28-W37 HydrophobicContact CG2-CZ2 4.44Å; I28-W37 HydrophobicContact CG2-CZ3 3.49Å; I28-W37 VanDerWaalsContact CG2-CZ3 3.49Å; I28-Y48 WeakPolarHBondContact CD1-O 3.42Å; I28-V49 HydrophobicContact CG1-CB 4.39Å; I28-V49 HydrophobicContact CG1-CG2 3.72Å; I28-K52 HydrophobicContact CD1-CB 3.52Å; I28-K52 HydrophobicContact CD1-CD 3.51Å; I28-K52 HydrophobicContact CD1-CG 4.12Å; I28-F70 HydrophobicContact CD1-CE2 4.03Å; I28-F70 HydrophobicContact CD1-CZ 4.33Å
29A92.5Very high89.3Confident24 Ų2479 Ų7920%0.19837%0.374CS..Hα-helixtrans-52.1-34.3-177.200000112F25 D26 Y31 F32 W37F25-A29 WeakPolarHBondContact O-CB 2.79Å; F25-A29 PolarHBondContact O-N 3.27Å; D26-A29 PolarHBondContact O-N 2.87Å; A29-Y31 PolarHBondContact O-N 3.21Å; A29-F32 PolarHBondContact O-N 3.37Å; A29-W37 HydrophobicContact CB-CD2 3.94Å; A29-W37 HydrophobicContact CB-CG 3.99Å; A29-W37 HydrophobicContact CB-CZ2 4.18Å
30K91.4Very high89.8Confident87 Ų8772.7 Ų72.738%0.37835%0.345SS..THydrogen-bonded Turntrans-58.7-8.3176.480.4-166.5-172.3-171.20116.2D27 I28 K74D27-K30 VanDerWaalsContact O-CD 3.3Å; D27-K30 WeakPolarHBondContact O-CD 3.44Å; D27-K30 WeakPolarHBondContact O-CE 3.25Å; D27-K30 WeakPolarHBondContact O-CG 3.36Å; D27-K30 WeakPolarHBondContact OD1-CE 3.49Å; D27-K30 IonicContact OD1-NZ 2.67Å; D27-K30 PolarHBondContact OD1-NZ 2.93Å; I28-K30 PolarHBondContact O-N 2.71Å; K30-K74 WeakPolarHBondContact O-CD 2.84Å; K30-K74 PolarHBondContact O-NZ 2.92Å
31Y89.3Confident90.4Very high37 Ų3772.6 Ų72.615%0.14534%0.344CS..THydrogen-bonded Turntrans-107.37.7176.2-55.9-72.5000113.8D27 I28 A29 K52 F70 M71 R96D27-Y31 WeakPolarHBondContact O-CE2 3.3Å; I28-Y31 VanDerWaalsContact O-CD2 3.32Å; I28-Y31 WeakPolarHBondContact O-CD2 3.45Å; I28-Y31 PolarHBondContact O-N 3.47Å; A29-Y31 PolarHBondContact O-N 3.21Å; Y31-K52 HydrophobicContact CE2-CD 4.17Å; Y31-K52 PolarHBondContact OH-NZ 3.04Å; Y31-F70 HydrophobicContact CD2-CD2 4.28Å; Y31-F70 HydrophobicContact CD2-CE2 4.11Å; Y31-F70 HydrophobicContact CG-CD2 4.28Å; Y31-M71 HydrophobicContact CD1-CB 4.37Å; Y31-M71 HydrophobicContact CD1-CG 4.46Å; Y31-M71 HydrophobicContact CE1-CB 4.22Å; Y31-M71 HydrophobicContact CE1-CG 4.29Å; Y31-M71 HydrophobicContact CE2-CG 4.4Å; Y31-R96 PolarHBondContact O-NH2 3.08Å
32F89.3Confident90.7Very high21 Ų2175 Ų759%0.09236%0.36CS..SBendtrans-130.5158.4-179.9-63.6-90.5000109.5I28 A29 E36 W37 M40 Y48 F70I28-F32 HydrophobicContact CG2-CD2 4.19Å; I28-F32 HydrophobicContact CG2-CE2 3.66Å; I28-F32 WeakPolarHBondContact O-CD2 3.37Å; A29-F32 PolarHBondContact O-N 3.37Å; F32-E36 HydrophobicContact CB-CB 4.38Å; F32-W37 HydrophobicContact CB-CB 4.17Å; F32-W37 HydrophobicContact CB-CE3 4.27Å; F32-W37 AromaticContact CD2-CE3 3.71Å; F32-W37 HydrophobicContact CD2-CE3 3.71Å; F32-W37 AromaticContact CD2-CZ3 3.88Å; F32-W37 HydrophobicContact CD2-CZ3 3.88Å; F32-W37 HydrophobicContact CE2-CE3 4.27Å; F32-W37 HydrophobicContact CE2-CZ3 4Å; F32-W37 AromaticContact CG-CE3 3.98Å; F32-W37 HydrophobicContact CG-CE3 3.98Å; F32-M40 HydrophobicContact CD1-CE 3.68Å; F32-M40 HydrophobicContact CD1-SD 4.21Å; F32-M40 HydrophobicContact CE1-CE 3.48Å; F32-M40 VanDerWaalsContact CE1-CE 3.48Å; F32-M40 HydrophobicContact CE1-SD 4.11Å; F32-M40 HydrophobicContact CZ-CE 4.38Å; F32-Y48 HydrophobicContact CE1-CD2 4.43Å; F32-Y48 HydrophobicContact CE1-CE1 4.32Å; F32-Y48 HydrophobicContact CE1-CE2 4.03Å; F32-Y48 AromaticContact CE1-CZ 3.96Å; F32-Y48 HydrophobicContact CE2-CD1 4.49Å; F32-Y48 HydrophobicContact CE2-CD2 4.37Å; F32-Y48 HydrophobicContact CE2-CG 4.24Å; F32-Y48 AromaticContact CZ-CD1 3.75Å; F32-Y48 HydrophobicContact CZ-CD1 3.75Å; F32-Y48 AromaticContact CZ-CD2 3.77Å; F32-Y48 HydrophobicContact CZ-CD2 3.77Å; F32-Y48 AromaticContact CZ-CE1 3.75Å; F32-Y48 HydrophobicContact CZ-CE1 3.75Å; F32-Y48 AromaticContact CZ-CE2 3.77Å; F32-Y48 HydrophobicContact CZ-CE2 3.77Å; F32-Y48 AromaticContact CZ-CG 3.76Å; F32-Y48 HydrophobicContact CZ-CG 3.76Å; F32-Y48 AromaticContact CZ-CZ 3.76Å; F32-F70 HydrophobicContact CE1-CB 4.47Å; F32-F70 AromaticContact CE2-CD2 3.89Å; F32-F70 HydrophobicContact CE2-CD2 3.89Å; F32-F70 HydrophobicContact CZ-CB 3.9Å; F32-F70 AromaticContact CZ-CD2 3.99Å; F32-F70 HydrophobicContact CZ-CD2 3.99Å; F32-F70 HydrophobicContact CZ-CG 4.14Å
33S89.3Confident90.6Very high60 Ų6074.1 Ų74.142%0.4236%0.364SS..  trans-70155.9164.878.20000109.6E35 E36 W37S33-E35 PolarHBondContact O-N 2.83Å; S33-E36 PolarHBondContact N-OE2 3.45Å; S33-E36 PolarHBondContact O-N 3.38Å; S33-E36 WeakPolarHBondContact OG-CB 3.3Å; S33-E36 VanDerWaalsContact OG-CG 3.31Å; S33-E36 WeakPolarHBondContact OG-CG 3.39Å; S33-E36 PolarHBondContact OG-N 3.45Å; S33-E36 VanDerWaalsContact OG-N 3.11Å; S33-W37 WeakPolarHBondContact O-CB 3.34Å; S33-W37 PolarHBondContact O-N 2.96Å
34K89.6Confident90.5Very high155 Ų15569.8 Ų69.867%0.67435%0.346SS*.Hα-helixtrans-55.2-44.2177.3-177.3178.3173.5-177.10111.2W37 E38K34-W37 PolarHBondContact O-N 3.48Å; K34-E38 WeakPolarHBondContact CE-OE1 3.41Å; K34-E38 HydrophobicContact CG-CG 4.42Å; K34-E38 IonicContact NZ-OE1 2.89Å; K34-E38 WeakPolarHBondContact O-CB 3.23Å; K34-E38 WeakPolarHBondContact O-CG 3.44Å; K34-E38 PolarHBondContact O-N 2.87Å
35E89.4Confident90.6Very high119 Ų11970.5 Ų70.556%0.55635%0.347SS*.Hα-helixtrans-64.5-45.3178-66.9-173.3-140.800113.9S33 W37 E38 K39S33-E35 PolarHBondContact O-N 2.83Å; E35-W37 VanDerWaalsContact C-N 3.27Å; E35-W37 PolarHBondContact O-N 3.06Å; E35-E38 PolarHBondContact O-N 3.32Å; E35-K39 WeakPolarHBondContact O-CB 3.49Å; E35-K39 VanDerWaalsContact O-CD 3.31Å; E35-K39 WeakPolarHBondContact O-CD 3.15Å; E35-K39 WeakPolarHBondContact O-CG 3.43Å; E35-K39 PolarHBondContact O-N 2.79Å; E35-K39 IonicContact OE2-NZ 3.01Å; E35-K39 PolarHBondContact OE2-NZ 3.31Å
36E89.5Confident90.3Very high69 Ų6972.2 Ų72.232%0.32236%0.357SS..Hα-helixtrans-58.4-45.2175-77.5177.414000109.8F32 S33 K39 M40 R96F32-E36 HydrophobicContact CB-CB 4.38Å; S33-E36 PolarHBondContact N-OE2 3.45Å; S33-E36 PolarHBondContact O-N 3.38Å; S33-E36 WeakPolarHBondContact OG-CB 3.3Å; S33-E36 VanDerWaalsContact OG-CG 3.31Å; S33-E36 WeakPolarHBondContact OG-CG 3.39Å; S33-E36 PolarHBondContact OG-N 3.45Å; S33-E36 VanDerWaalsContact OG-N 3.11Å; E36-K39 PolarHBondContact O-N 3.15Å; E36-M40 WeakPolarHBondContact O-CG 3.47Å; E36-M40 PolarHBondContact O-N 3Å; E36-M40 VanDerWaalsContact O-N 3.14Å; E36-R96 WeakPolarHBondContact OE1-CD 3.29Å; E36-R96 IonicContact OE1-CZ 3.82Å; E36-R96 IonicContact OE1-NH1 2.71Å; E36-R96 PolarHBondContact OE1-NH1 3.42Å; E36-R96 IonicContact OE2-CZ 2.66Å; E36-R96 IonicContact OE2-NH1 3.87Å; E36-R96 PolarHBondContact OE2-NH1 3.41Å
37W91.9Very high90.3Very high29 Ų2969.7 Ų69.711%0.1135%0.345CS..Hα-helixtrans-68.2-40.3-177.7-170.1-112.8000112.8F25 I28 A29 F32 S33 K34 E35 M40 K45F25-W37 HydrophobicContact CB-CZ2 3.86Å; F25-W37 HydrophobicContact CG-CZ2 4.23Å; F25-W37 VanDerWaalsContact O-CZ2 3.26Å; F25-W37 WeakPolarHBondContact O-CZ2 3.31Å; I28-W37 HydrophobicContact CB-CH2 3.81Å; I28-W37 HydrophobicContact CB-CZ2 4.48Å; I28-W37 HydrophobicContact CB-CZ3 4.35Å; I28-W37 HydrophobicContact CG2-CH2 3.4Å; I28-W37 VanDerWaalsContact CG2-CH2 3.4Å; I28-W37 HydrophobicContact CG2-CZ2 4.44Å; I28-W37 HydrophobicContact CG2-CZ3 3.49Å; I28-W37 VanDerWaalsContact CG2-CZ3 3.49Å; A29-W37 HydrophobicContact CB-CD2 3.94Å; A29-W37 HydrophobicContact CB-CG 3.99Å; A29-W37 HydrophobicContact CB-CZ2 4.18Å; F32-W37 HydrophobicContact CB-CB 4.17Å; F32-W37 HydrophobicContact CB-CE3 4.27Å; F32-W37 AromaticContact CD2-CE3 3.71Å; F32-W37 HydrophobicContact CD2-CE3 3.71Å; F32-W37 AromaticContact CD2-CZ3 3.88Å; F32-W37 HydrophobicContact CD2-CZ3 3.88Å; F32-W37 HydrophobicContact CE2-CE3 4.27Å; F32-W37 HydrophobicContact CE2-CZ3 4Å; F32-W37 AromaticContact CG-CE3 3.98Å; F32-W37 HydrophobicContact CG-CE3 3.98Å; S33-W37 WeakPolarHBondContact O-CB 3.34Å; S33-W37 PolarHBondContact O-N 2.96Å; K34-W37 PolarHBondContact O-N 3.48Å; E35-W37 VanDerWaalsContact C-N 3.27Å; E35-W37 PolarHBondContact O-N 3.06Å; W37-M40 HydrophobicContact CE3-SD 4.05Å; W37-M40 HydrophobicContact CZ3-SD 4.27Å; W37-M40 PolarHBondContact O-N 3.38Å; W37-K45 HydrophobicContact CD2-CD 4.4Å; W37-K45 HydrophobicContact CD2-CG 4.5Å; W37-K45 HydrophobicContact CE3-CG 4.26Å; W37-K45 HydrophobicContact CH2-CB 3.67Å; W37-K45 HydrophobicContact CH2-CD 4.04Å; W37-K45 HydrophobicContact CH2-CG 3.52Å; W37-K45 HydrophobicContact CZ2-CB 4.09Å; W37-K45 HydrophobicContact CZ2-CD 3.73Å; W37-K45 HydrophobicContact CZ2-CG 3.77Å; W37-K45 HydrophobicContact CZ3-CB 4.26Å; W37-K45 HydrophobicContact CZ3-CD 4.48Å; W37-K45 HydrophobicContact CZ3-CG 3.78Å; W37-K45 WeakPolarHBondContact O-CE 3.32Å; W37-K45 PolarHBondContact O-NZ 3.49Å
38E91.2Very high90.3Very high125 Ų12569.5 Ų69.558%0.58434%0.34SS*.Hα-helixtrans-68.4-37177-75.3174.7172.900111.9K34 E35 M40K34-E38 WeakPolarHBondContact CE-OE1 3.41Å; K34-E38 HydrophobicContact CG-CG 4.42Å; K34-E38 IonicContact NZ-OE1 2.89Å; K34-E38 WeakPolarHBondContact O-CB 3.23Å; K34-E38 WeakPolarHBondContact O-CG 3.44Å; K34-E38 PolarHBondContact O-N 2.87Å; E35-E38 PolarHBondContact O-N 3.32Å; E38-M40 VanDerWaalsContact C-N 3.31Å; E38-M40 PolarHBondContact O-N 3.38Å
39K92.8Very high90.3Very high155 Ų15570.3 Ų70.367%0.67435%0.345SS*.Hα-helixtrans-71.2-20176.3-68.7164.1-174163.10113.5E35 E36E35-K39 WeakPolarHBondContact O-CB 3.49Å; E35-K39 VanDerWaalsContact O-CD 3.31Å; E35-K39 WeakPolarHBondContact O-CD 3.15Å; E35-K39 WeakPolarHBondContact O-CG 3.43Å; E35-K39 PolarHBondContact O-N 2.79Å; E35-K39 IonicContact OE2-NZ 3.01Å; E35-K39 PolarHBondContact OE2-NZ 3.31Å; E36-K39 PolarHBondContact O-N 3.15Å
40M90.7Very high90.2Very high34 Ų3475.1 Ų75.117%0.16736%0.359CS..SBendtrans-72.6137.4179.2-83.9-179.1-175.400114F32 E36 W37 E38 E44 K45 Y48F32-M40 HydrophobicContact CD1-CE 3.68Å; F32-M40 HydrophobicContact CD1-SD 4.21Å; F32-M40 HydrophobicContact CE1-CE 3.48Å; F32-M40 VanDerWaalsContact CE1-CE 3.48Å; F32-M40 HydrophobicContact CE1-SD 4.11Å; F32-M40 HydrophobicContact CZ-CE 4.38Å; E36-M40 WeakPolarHBondContact O-CG 3.47Å; E36-M40 PolarHBondContact O-N 3Å; E36-M40 VanDerWaalsContact O-N 3.14Å; W37-M40 HydrophobicContact CE3-SD 4.05Å; W37-M40 HydrophobicContact CZ3-SD 4.27Å; W37-M40 PolarHBondContact O-N 3.38Å; E38-M40 VanDerWaalsContact C-N 3.31Å; E38-M40 PolarHBondContact O-N 3.38Å; M40-E44 WeakPolarHBondContact CA-OE2 3.46Å; M40-K45 HydrophobicContact CB-CG 4.15Å; M40-K45 VanDerWaalsContact O-CE 3.24Å; M40-K45 WeakPolarHBondContact O-CE 3.38Å; M40-K45 PolarHBondContact O-NZ 3.09Å; M40-Y48 HydrophobicContact CE-CE2 3.7Å; M40-Y48 HydrophobicContact SD-CD2 4.09Å; M40-Y48 HydrophobicContact SD-CE2 3.64Å
41K92.4Very high90.2Very high139 Ų13975 Ų7560%0.60436%0.361SS*.  trans-68.1149.8173.9-63.8173.5-178.1172.40110.7S43 E44 K45K41-S43 PolarHBondContact O-N 2.85Å; K41-E44 HydrophobicContact CB-CG 4.2Å; K41-E44 PolarHBondContact N-OE2 3.45Å; K41-E44 WeakPolarHBondContact O-CB 3.46Å; K41-E44 PolarHBondContact O-N 2.67Å; K41-K45 WeakPolarHBondContact O-CG 3.3Å; K41-K45 PolarHBondContact O-N 2.66Å; K41-K45 VanDerWaalsContact O-N 3.08Å
42V87.7Confident90.4Very high69 Ų6973.6 Ų73.642%0.41836%0.355SS..Hα-helixtrans-55.2-37.5177.8179.10000111.9I17 F25 E44 K45 I46I17-V42 HydrophobicContact CD1-CG1 4.43Å; I17-V42 HydrophobicContact CD1-CG2 4.45Å; F25-V42 HydrophobicContact CE2-CG1 4.1Å; F25-V42 HydrophobicContact CZ-CG1 3.98Å; V42-E44 PolarHBondContact O-N 3.14Å; V42-K45 WeakPolarHBondContact O-CB 3.42Å; V42-K45 PolarHBondContact O-N 3.01Å; V42-I46 HydrophobicContact CG1-CD1 4.14Å; V42-I46 VanDerWaalsContact O-CG1 3.32Å; V42-I46 WeakPolarHBondContact O-CG1 3.3Å; V42-I46 PolarHBondContact O-N 3.06Å
43S85.1Confident90.5Very high76 Ų7677 Ų7753%0.53137%0.368SS..Hα-helixtrans-61.9-39.5174.548.90000113.5K41 I46 V47K41-S43 PolarHBondContact O-N 2.85Å; S43-I46 PolarHBondContact O-N 2.92Å; S43-V47 WeakPolarHBondContact O-CG2 3.26Å; S43-V47 PolarHBondContact O-N 3.29Å; S43-V47 VanDerWaalsContact O-N 3.16Å
44E88.4Confident90.6Very high71 Ų7178.7 Ų78.733%0.33237%0.368SS..Hα-helixtrans-67.7-41.4176.7-64.4164.416300110.6M40 K41 V42 I46 V47 Y48M40-E44 WeakPolarHBondContact CA-OE2 3.46Å; K41-E44 HydrophobicContact CB-CG 4.2Å; K41-E44 PolarHBondContact N-OE2 3.45Å; K41-E44 WeakPolarHBondContact O-CB 3.46Å; K41-E44 PolarHBondContact O-N 2.67Å; V42-E44 PolarHBondContact O-N 3.14Å; E44-I46 VanDerWaalsContact C-N 3.33Å; E44-I46 PolarHBondContact O-N 3.5Å; E44-V47 WeakPolarHBondContact O-CB 3.36Å; E44-V47 PolarHBondContact O-N 2.78Å; E44-V47 VanDerWaalsContact O-N 3.15Å; E44-Y48 WeakPolarHBondContact O-CD2 3.37Å; E44-Y48 PolarHBondContact O-N 3.48Å; E44-Y48 VanDerWaalsContact O-N 3.15Å
45K90.8Very high90.7Very high28 Ų2873.8 Ų73.812%0.12235%0.345CS..Hα-helixtrans-58.7-42.9174.5-62.3178.5174.6168.30111.7F25 W37 M40 K41 V42 V47 Y48 V49F25-K45 HydrophobicContact CD1-CB 4.04Å; F25-K45 HydrophobicContact CD2-CD 4.4Å; F25-K45 HydrophobicContact CE1-CB 3.71Å; F25-K45 HydrophobicContact CE2-CB 4.24Å; F25-K45 HydrophobicContact CE2-CD 4.41Å; F25-K45 HydrophobicContact CG-CB 4.45Å; F25-K45 HydrophobicContact CZ-CB 3.83Å; W37-K45 HydrophobicContact CD2-CD 4.4Å; W37-K45 HydrophobicContact CD2-CG 4.5Å; W37-K45 HydrophobicContact CE3-CG 4.26Å; W37-K45 HydrophobicContact CH2-CB 3.67Å; W37-K45 HydrophobicContact CH2-CD 4.04Å; W37-K45 HydrophobicContact CH2-CG 3.52Å; W37-K45 HydrophobicContact CZ2-CB 4.09Å; W37-K45 HydrophobicContact CZ2-CD 3.73Å; W37-K45 HydrophobicContact CZ2-CG 3.77Å; W37-K45 HydrophobicContact CZ3-CB 4.26Å; W37-K45 HydrophobicContact CZ3-CD 4.48Å; W37-K45 HydrophobicContact CZ3-CG 3.78Å; W37-K45 WeakPolarHBondContact O-CE 3.32Å; W37-K45 PolarHBondContact O-NZ 3.49Å; M40-K45 HydrophobicContact CB-CG 4.15Å; M40-K45 VanDerWaalsContact O-CE 3.24Å; M40-K45 WeakPolarHBondContact O-CE 3.38Å; M40-K45 PolarHBondContact O-NZ 3.09Å; K41-K45 WeakPolarHBondContact O-CG 3.3Å; K41-K45 PolarHBondContact O-N 2.66Å; K41-K45 VanDerWaalsContact O-N 3.08Å; V42-K45 WeakPolarHBondContact O-CB 3.42Å; V42-K45 PolarHBondContact O-N 3.01Å; K45-V47 PolarHBondContact O-N 3.41Å; K45-Y48 PolarHBondContact O-N 2.86Å; K45-V49 WeakPolarHBondContact O-CG2 3.42Å; K45-V49 PolarHBondContact O-N 3.14Å
46I89.4Confident90.9Very high52 Ų5271.5 Ų71.527%0.26733%0.334SS..Hα-helixtrans-60.8-42.3175.1-68.5166.2000111.5F25 V42 S43 E44 Y48 V49 Y50 W191F25-I46 HydrophobicContact CE1-CG1 3.93Å; F25-I46 HydrophobicContact CZ-CG1 3.83Å; V42-I46 HydrophobicContact CG1-CD1 4.14Å; V42-I46 VanDerWaalsContact O-CG1 3.32Å; V42-I46 WeakPolarHBondContact O-CG1 3.3Å; V42-I46 PolarHBondContact O-N 3.06Å; S43-I46 PolarHBondContact O-N 2.92Å; E44-I46 VanDerWaalsContact C-N 3.33Å; E44-I46 PolarHBondContact O-N 3.5Å; I46-Y48 VanDerWaalsContact C-N 3.33Å; I46-Y48 PolarHBondContact O-N 3Å; I46-V49 PolarHBondContact O-N 2.95Å; I46-Y50 PolarHBondContact O-N 3.38Å; I46-W191 HydrophobicContact CD1-CE3 4.48Å; I46-W191 HydrophobicContact CD1-CZ3 4Å
47V90.9Very high91Very high55 Ų5570 Ų7033%0.33333%0.334SS..Hα-helixtrans-60.7-41.4177172.60000111.4S43 E44 K45 Y50 M51S43-V47 WeakPolarHBondContact O-CG2 3.26Å; S43-V47 PolarHBondContact O-N 3.29Å; S43-V47 VanDerWaalsContact O-N 3.16Å; E44-V47 WeakPolarHBondContact O-CB 3.36Å; E44-V47 PolarHBondContact O-N 2.78Å; E44-V47 VanDerWaalsContact O-N 3.15Å; K45-V47 PolarHBondContact O-N 3.41Å; V47-Y50 PolarHBondContact O-N 2.96Å; V47-M51 HydrophobicContact CG1-CG 4.36Å; V47-M51 WeakPolarHBondContact O-CB 3.49Å; V47-M51 VanDerWaalsContact O-CG 3.23Å; V47-M51 WeakPolarHBondContact O-CG 3.35Å; V47-M51 PolarHBondContact O-N 3.05Å
48Y92.1Very high91.1Very high53 Ų5371.7 Ų71.721%0.20834%0.344CS..Hα-helixtrans-67.6-39.5176.4-68.9-63.8000113.2I28 F32 M40 E44 K45 I46 Y50 M51 K52 F70I28-Y48 WeakPolarHBondContact CD1-O 3.42Å; F32-Y48 HydrophobicContact CE1-CD2 4.43Å; F32-Y48 HydrophobicContact CE1-CE1 4.32Å; F32-Y48 HydrophobicContact CE1-CE2 4.03Å; F32-Y48 AromaticContact CE1-CZ 3.96Å; F32-Y48 HydrophobicContact CE2-CD1 4.49Å; F32-Y48 HydrophobicContact CE2-CD2 4.37Å; F32-Y48 HydrophobicContact CE2-CG 4.24Å; F32-Y48 AromaticContact CZ-CD1 3.75Å; F32-Y48 HydrophobicContact CZ-CD1 3.75Å; F32-Y48 AromaticContact CZ-CD2 3.77Å; F32-Y48 HydrophobicContact CZ-CD2 3.77Å; F32-Y48 AromaticContact CZ-CE1 3.75Å; F32-Y48 HydrophobicContact CZ-CE1 3.75Å; F32-Y48 AromaticContact CZ-CE2 3.77Å; F32-Y48 HydrophobicContact CZ-CE2 3.77Å; F32-Y48 AromaticContact CZ-CG 3.76Å; F32-Y48 HydrophobicContact CZ-CG 3.76Å; F32-Y48 AromaticContact CZ-CZ 3.76Å; M40-Y48 HydrophobicContact CE-CE2 3.7Å; M40-Y48 HydrophobicContact SD-CD2 4.09Å; M40-Y48 HydrophobicContact SD-CE2 3.64Å; E44-Y48 WeakPolarHBondContact O-CD2 3.37Å; E44-Y48 PolarHBondContact O-N 3.48Å; E44-Y48 VanDerWaalsContact O-N 3.15Å; K45-Y48 PolarHBondContact O-N 2.86Å; I46-Y48 VanDerWaalsContact C-N 3.33Å; I46-Y48 PolarHBondContact O-N 3Å; Y48-Y50 VanDerWaalsContact C-N 3.35Å; Y48-Y50 PolarHBondContact O-N 3.48Å; Y48-M51 PolarHBondContact O-N 3.41Å; Y48-K52 PolarHBondContact O-N 3.15Å; Y48-F70 HydrophobicContact CD1-CB 4.46Å; Y48-F70 AromaticContact CD1-CD1 3.66Å; Y48-F70 HydrophobicContact CD1-CD1 3.66Å; Y48-F70 HydrophobicContact CD1-CD2 4.25Å; Y48-F70 AromaticContact CD1-CE1 3.84Å; Y48-F70 HydrophobicContact CD1-CE1 3.84Å; Y48-F70 HydrophobicContact CD1-CE2 4.41Å; Y48-F70 AromaticContact CD1-CG 3.88Å; Y48-F70 HydrophobicContact CD1-CG 3.88Å; Y48-F70 HydrophobicContact CD1-CZ 4.21Å; Y48-F70 HydrophobicContact CE1-CB 4.28Å; Y48-F70 HydrophobicContact CE1-CD1 4.02Å; Y48-F70 HydrophobicContact CE1-CG 4.17Å
49V92.8Very high91.1Very high18 Ų1868.9 Ų68.911%0.10934%0.335CS..Hα-helixtrans-56.4-49171.4172.50000110.8A24 F25 I28 K45 I46 K52 R53A24-V49 HydrophobicContact CB-CG1 3.96Å; A24-V49 HydrophobicContact CB-CG2 4.09Å; F25-V49 HydrophobicContact CD1-CG2 3.68Å; F25-V49 HydrophobicContact CE1-CG2 3.98Å; I28-V49 HydrophobicContact CG1-CB 4.39Å; I28-V49 HydrophobicContact CG1-CG2 3.72Å; K45-V49 WeakPolarHBondContact O-CG2 3.42Å; K45-V49 PolarHBondContact O-N 3.14Å; I46-V49 PolarHBondContact O-N 2.95Å; V49-K52 PolarHBondContact O-N 3.35Å; V49-R53 WeakPolarHBondContact O-CG 3.47Å; V49-R53 PolarHBondContact O-N 3.14Å
50Y90.8Very high91.2Very high126 Ų12669.9 Ų69.949%0.49434%0.34SS..Hα-helixtrans-60.6-46.7178.8172-108.8000111.9I46 V47 Y48 K52 R53 K54I46-Y50 PolarHBondContact O-N 3.38Å; V47-Y50 PolarHBondContact O-N 2.96Å; Y48-Y50 VanDerWaalsContact C-N 3.35Å; Y48-Y50 PolarHBondContact O-N 3.48Å; Y50-K52 VanDerWaalsContact C-N 3.33Å; Y50-K52 PolarHBondContact O-N 3.27Å; Y50-R53 PolarHBondContact O-N 3.26Å; Y50-K54 HydrophobicContact CE1-CD 4.47Å; Y50-K54 VanDerWaalsContact O-CB 3.32Å; Y50-K54 WeakPolarHBondContact O-CB 3.32Å; Y50-K54 PolarHBondContact O-N 3.12Å
51M91.1Very high91.3Very high85 Ų8574.4 Ų74.442%0.41936%0.364SS..Hα-helixtrans-62.6-37.4179.9-71.3-71.9-87.300112.6V47 Y48 Y55 F70V47-M51 HydrophobicContact CG1-CG 4.36Å; V47-M51 WeakPolarHBondContact O-CB 3.49Å; V47-M51 VanDerWaalsContact O-CG 3.23Å; V47-M51 WeakPolarHBondContact O-CG 3.35Å; V47-M51 PolarHBondContact O-N 3.05Å; Y48-M51 PolarHBondContact O-N 3.41Å; M51-Y55 PolarHBondContact O-N 3.27Å; M51-Y55 VanDerWaalsContact O-N 3.14Å; M51-F70 HydrophobicContact CB-CE1 3.98Å; M51-F70 HydrophobicContact CB-CZ 4.45Å
52K93.1Very high91.3Very high6 Ų671 Ų713%0.02637%0.369CS..Hα-helixtrans-66.3-52.2173179.1171.1175.2176.20111.9D27 I28 Y31 Y48 V49 Y50 K54 Y55 E56 F70 M71D27-K52 IonicContact OD1-NZ 3.66Å; D27-K52 PolarHBondContact OD1-NZ 3.27Å; D27-K52 VanDerWaalsContact OD2-CE 3.3Å; D27-K52 WeakPolarHBondContact OD2-CE 3.2Å; D27-K52 IonicContact OD2-NZ 2.85Å; D27-K52 PolarHBondContact OD2-NZ 3.25Å; I28-K52 HydrophobicContact CD1-CB 3.52Å; I28-K52 HydrophobicContact CD1-CD 3.51Å; I28-K52 HydrophobicContact CD1-CG 4.12Å; Y31-K52 HydrophobicContact CE2-CD 4.17Å; Y31-K52 PolarHBondContact OH-NZ 3.04Å; Y48-K52 PolarHBondContact O-N 3.15Å; V49-K52 PolarHBondContact O-N 3.35Å; Y50-K52 VanDerWaalsContact C-N 3.33Å; Y50-K52 PolarHBondContact O-N 3.27Å; K52-K54 VanDerWaalsContact C-N 3.28Å; K52-K54 PolarHBondContact O-N 2.77Å; K52-Y55 WeakPolarHBondContact O-CB 3.5Å; K52-Y55 PolarHBondContact O-N 3.05Å; K52-Y55 VanDerWaalsContact O-N 3.09Å; K52-E56 WeakPolarHBondContact CE-OE1 3.5Å; K52-E56 HydrophobicContact CG-CG 4.4Å; K52-E56 IonicContact NZ-OE1 3.8Å; K52-E56 PolarHBondContact O-N 3.47Å; K52-F70 HydrophobicContact CB-CZ 4.17Å; K52-M71 HydrophobicContact CB-SD 4.41Å; K52-M71 HydrophobicContact CD-CE 4.38Å; K52-M71 HydrophobicContact CG-CE 4.2Å; K52-M71 HydrophobicContact CG-SD 4.22Å
53R91.3Very high91.5Very high94 Ų9474.3 Ų74.336%0.35538%0.378SS..Hα-helixtrans-58.1-41179.6-73.8-174.9-178.7-171.92.4111.8V49 Y50 E56 A57V49-R53 WeakPolarHBondContact O-CG 3.47Å; V49-R53 PolarHBondContact O-N 3.14Å; Y50-R53 PolarHBondContact O-N 3.26Å; R53-E56 PolarHBondContact O-N 3.43Å; R53-A57 VanDerWaalsContact O-CB 3.31Å; R53-A57 WeakPolarHBondContact O-CB 3.14Å; R53-A57 PolarHBondContact O-N 3.12Å
54K91.1Very high91.6Very high95 Ų9580.9 Ų80.941%0.41340%0.397SS..Hα-helixtrans-59.6-46.8174.8-174.5-178.2175.4177.70111.5Y50 K52 M58Y50-K54 HydrophobicContact CE1-CD 4.47Å; Y50-K54 VanDerWaalsContact O-CB 3.32Å; Y50-K54 WeakPolarHBondContact O-CB 3.32Å; Y50-K54 PolarHBondContact O-N 3.12Å; K52-K54 VanDerWaalsContact C-N 3.28Å; K52-K54 PolarHBondContact O-N 2.77Å; K54-M58 HydrophobicContact CG-CE 4.01Å; K54-M58 HydrophobicContact CG-SD 4.27Å; K54-M58 WeakPolarHBondContact O-CB 3.43Å; K54-M58 VanDerWaalsContact O-CG 3.27Å; K54-M58 WeakPolarHBondContact O-CG 3.2Å; K54-M58 PolarHBondContact O-N 2.93Å
55Y93.3Very high91.5Very high51 Ų5178.6 Ų78.620%0.239%0.39CS..Hα-helixtrans-60.6-48176171.4-95.7000112M51 K52 M58 T59 A65 L67 P68 M71M51-Y55 PolarHBondContact O-N 3.27Å; M51-Y55 VanDerWaalsContact O-N 3.14Å; K52-Y55 WeakPolarHBondContact O-CB 3.5Å; K52-Y55 PolarHBondContact O-N 3.05Å; K52-Y55 VanDerWaalsContact O-N 3.09Å; Y55-M58 PolarHBondContact O-N 2.91Å; Y55-T59 WeakPolarHBondContact O-CB 3.5Å; Y55-T59 PolarHBondContact O-N 3.18Å; Y55-T59 PolarHBondContact O-OG1 3.4Å; Y55-A65 HydrophobicContact CD2-CB 3.54Å; Y55-A65 HydrophobicContact CE2-CB 3.66Å; Y55-L67 HydrophobicContact CD1-CD1 4.32Å; Y55-L67 HydrophobicContact CE1-CD1 3.76Å; Y55-L67 VanDerWaalsContact CE2-CA 3.45Å; Y55-L67 HydrophobicContact CE2-CB 4.01Å; Y55-L67 HydrophobicContact CE2-CD1 4.02Å; Y55-P68 HydrophobicContact CG-CG 4.33Å; Y55-M71 HydrophobicContact CD1-CE 4.27Å; Y55-M71 HydrophobicContact CD1-SD 4.36Å
56E92.4Very high91.4Very high71 Ų7184 Ų8433%0.33242%0.419SS..Hα-helixtrans-63.4-43.1179.2-70.6-179.2168.500112.8K52 R53 T59 K60K52-E56 WeakPolarHBondContact CE-OE1 3.5Å; K52-E56 HydrophobicContact CG-CG 4.4Å; K52-E56 IonicContact NZ-OE1 3.8Å; K52-E56 PolarHBondContact O-N 3.47Å; R53-E56 PolarHBondContact O-N 3.43Å; E56-T59 PolarHBondContact O-N 2.88Å; E56-K60 WeakPolarHBondContact O-CB 3.45Å; E56-K60 WeakPolarHBondContact O-CG 3.43Å; E56-K60 PolarHBondContact O-N 3.27Å
57A92.3Very high91.4Very high39 Ų3983.6 Ų83.632%0.32242%0.417SS..Hα-helixtrans-61.8-48.2176.400000111.7R53 T59 K60 L61R53-A57 VanDerWaalsContact O-CB 3.31Å; R53-A57 WeakPolarHBondContact O-CB 3.14Å; R53-A57 PolarHBondContact O-N 3.12Å; A57-T59 VanDerWaalsContact C-N 3.27Å; A57-T59 PolarHBondContact O-N 3.18Å; A57-K60 PolarHBondContact O-N 3.13Å; A57-L61 VanDerWaalsContact O-CG 3.3Å; A57-L61 WeakPolarHBondContact O-CG 3.48Å; A57-L61 PolarHBondContact O-N 3.43Å
58M92.8Very high91.4Very high64 Ų6481.8 Ų81.832%0.31541%0.406SS..Hα-helixtrans-58.9-39.7175.1-69.5-176.9-51.800111.7K54 Y55 L61 G62 F63 A65K54-M58 HydrophobicContact CG-CE 4.01Å; K54-M58 HydrophobicContact CG-SD 4.27Å; K54-M58 WeakPolarHBondContact O-CB 3.43Å; K54-M58 VanDerWaalsContact O-CG 3.27Å; K54-M58 WeakPolarHBondContact O-CG 3.2Å; K54-M58 PolarHBondContact O-N 2.93Å; Y55-M58 PolarHBondContact O-N 2.91Å; M58-L61 PolarHBondContact O-N 2.89Å; M58-G62 PolarHBondContact O-N 3.33Å; M58-F63 HydrophobicContact CB-CB 4.34Å; M58-F63 WeakPolarHBondContact O-CB 3.43Å; M58-F63 PolarHBondContact O-N 2.97Å; M58-A65 HydrophobicContact CB-CB 3.89Å; M58-A65 HydrophobicContact CE-CB 3.85Å
59T92.8Very high91.2Very high65 Ų6583.2 Ų83.240%0.39942%0.424SS..Hα-helixtrans-68.3-42.9179.5-53.30000111.9Y55 E56 A57 L61 G62Y55-T59 WeakPolarHBondContact O-CB 3.5Å; Y55-T59 PolarHBondContact O-N 3.18Å; Y55-T59 PolarHBondContact O-OG1 3.4Å; E56-T59 PolarHBondContact O-N 2.88Å; A57-T59 VanDerWaalsContact C-N 3.27Å; A57-T59 PolarHBondContact O-N 3.18Å; T59-L61 VanDerWaalsContact C-N 3.27Å; T59-L61 PolarHBondContact O-N 2.77Å; T59-G62 PolarHBondContact O-N 3.04Å
60K93.6Very high90.9Very high177 Ų17782.9 Ų82.977%0.7742%0.421SS*.Hα-helixtrans-62.7-33175.8-75.7175.5178.9-177.20112.8E56 A57 G62E56-K60 WeakPolarHBondContact O-CB 3.45Å; E56-K60 WeakPolarHBondContact O-CG 3.43Å; E56-K60 PolarHBondContact O-N 3.27Å; A57-K60 PolarHBondContact O-N 3.13Å; K60-G62 PolarHBondContact O-N 3.27Å
61L94Very high90.8Very high128 Ų12877.8 Ų77.867%0.6740%0.402SS*.THydrogen-bonded Turntrans-79.47.1174.6-66.7170.6000113.4A57 M58 T59 F63A57-L61 VanDerWaalsContact O-CG 3.3Å; A57-L61 WeakPolarHBondContact O-CG 3.48Å; A57-L61 PolarHBondContact O-N 3.43Å; M58-L61 PolarHBondContact O-N 2.89Å; T59-L61 VanDerWaalsContact C-N 3.27Å; T59-L61 PolarHBondContact O-N 2.77Å; L61-F63 VanDerWaalsContact C-N 3.28Å; L61-F63 HydrophobicContact CB-CD2 3.63Å; L61-F63 HydrophobicContact CB-CE2 3.74Å; L61-F63 HydrophobicContact CD1-CE2 4.25Å; L61-F63 PolarHBondContact O-N 3.07Å
62G91.8Very high90.3Very high69 Ų6980.5 Ų80.571%0.71141%0.407SS*.THydrogen-bonded Turntrans782.6178.700000115.1M58 T59 K60M58-G62 PolarHBondContact O-N 3.33Å; T59-G62 PolarHBondContact O-N 3.04Å; K60-G62 PolarHBondContact O-N 3.27Å
63F90.9Very high88.9Confident138 Ų13885.1 Ų85.161%0.60543%0.432SS*.  trans-74.6139.2176.4-62.8-75.1000111.4M58 L61 A65M58-F63 HydrophobicContact CB-CB 4.34Å; M58-F63 WeakPolarHBondContact O-CB 3.43Å; M58-F63 PolarHBondContact O-N 2.97Å; L61-F63 VanDerWaalsContact C-N 3.28Å; L61-F63 HydrophobicContact CB-CD2 3.63Å; L61-F63 HydrophobicContact CB-CE2 3.74Å; L61-F63 HydrophobicContact CD1-CE2 4.25Å; L61-F63 PolarHBondContact O-N 3.07Å; F63-A65 PolarHBondContact O-N 3.28Å
64K88.9Confident87.2Confident214 Ų21485.5 Ų85.593%0.9344%0.437SS*.  trans-72.576.2172.9-169.2174.9-179175.90111.1
65A84.6Confident85.2Confident23 Ų2390.2 Ų90.219%0.1945%0.452CS..PPolyproline II helixtrans-68.7139.5178.200000112.2Y55 M58 F63 L67Y55-A65 HydrophobicContact CD2-CB 3.54Å; Y55-A65 HydrophobicContact CE2-CB 3.66Å; M58-A65 HydrophobicContact CB-CB 3.89Å; M58-A65 HydrophobicContact CE-CB 3.85Å; F63-A65 PolarHBondContact O-N 3.28Å; A65-L67 PolarHBondContact O-N 2.95Å
66I89.5Confident82.7Confident142 Ų14291.9 Ų91.973%0.72847%0.467SS*.PPolyproline II helixtrans-75.7119.2170.4-60.4176.5000108.6P68I66-P68 WeakPolarHBondContact O-CD 3.49Å
67L90.1Very high80.4Confident43 Ų4394.4 Ų94.423%0.22549%0.488CS..PPolyproline II helixtrans-58.5120.2176-177.867.4000110.6Y55 A65 M71 R72Y55-L67 HydrophobicContact CD1-CD1 4.32Å; Y55-L67 HydrophobicContact CE1-CD1 3.76Å; Y55-L67 VanDerWaalsContact CE2-CA 3.45Å; Y55-L67 HydrophobicContact CE2-CB 4.01Å; Y55-L67 HydrophobicContact CE2-CD1 4.02Å; A65-L67 PolarHBondContact O-N 2.95Å; L67-M71 HydrophobicContact CD1-CB 3.87Å; L67-M71 HydrophobicContact CD1-CE 4.13Å; L67-M71 HydrophobicContact CD1-SD 4.14Å; L67-M71 HydrophobicContact CG-CB 4.28Å; L67-R72 HydrophobicContact CD2-CG 3.97Å; L67-R72 HydrophobicContact CG-CG 4.28Å; L67-R72 PolarHBondContact O-NE 2.74Å; L67-R72 PolarHBondContact O-NH2 3.04Å
68P89.7Confident78.1Confident17 Ų1798.4 Ų98.411%0.1150%0.504CS..PPolyproline II helixtrans-54.4142178.9-28.535.8000112.5Y55 I66 F70 M71Y55-P68 HydrophobicContact CG-CG 4.33Å; I66-P68 WeakPolarHBondContact O-CD 3.49Å; P68-F70 VanDerWaalsContact C-N 3.29Å; P68-F70 HydrophobicContact CB-CD1 3.62Å; P68-F70 HydrophobicContact CB-CE1 3.38Å; P68-F70 HydrophobicContact CB-CZ 4.27Å; P68-F70 HydrophobicContact CG-CE1 4.14Å; P68-F70 PolarHBondContact O-N 2.94Å; P68-M71 HydrophobicContact CB-CG 4.35Å; P68-M71 HydrophobicContact CB-SD 4.28Å; P68-M71 HydrophobicContact CG-SD 3.97Å; P68-M71 PolarHBondContact O-N 3.38Å
69S87.9Confident75.9Confident82 Ų82104 Ų10457%0.57353%0.526SS*.G310 helixtrans-55.8-41.3-175.350.80000113.1M71 R72S69-M71 PolarHBondContact O-N 2.91Å; S69-R72 WeakPolarHBondContact O-CB 3.24Å; S69-R72 PolarHBondContact O-N 3.27Å; S69-R72 VanDerWaalsContact O-N 3.14Å
70F87.1Confident73.6Confident11 Ų11105.9 Ų105.95%0.04853%0.531CS..G310 helixtrans-62.5-28.2179.374.3-88.2000113.4I28 Y31 F32 Y48 M51 K52 P68 R72I28-F70 HydrophobicContact CD1-CE2 4.03Å; I28-F70 HydrophobicContact CD1-CZ 4.33Å; Y31-F70 HydrophobicContact CD2-CD2 4.28Å; Y31-F70 HydrophobicContact CD2-CE2 4.11Å; Y31-F70 HydrophobicContact CG-CD2 4.28Å; F32-F70 HydrophobicContact CE1-CB 4.47Å; F32-F70 AromaticContact CE2-CD2 3.89Å; F32-F70 HydrophobicContact CE2-CD2 3.89Å; F32-F70 HydrophobicContact CZ-CB 3.9Å; F32-F70 AromaticContact CZ-CD2 3.99Å; F32-F70 HydrophobicContact CZ-CD2 3.99Å; F32-F70 HydrophobicContact CZ-CG 4.14Å; Y48-F70 HydrophobicContact CD1-CB 4.46Å; Y48-F70 AromaticContact CD1-CD1 3.66Å; Y48-F70 HydrophobicContact CD1-CD1 3.66Å; Y48-F70 HydrophobicContact CD1-CD2 4.25Å; Y48-F70 AromaticContact CD1-CE1 3.84Å; Y48-F70 HydrophobicContact CD1-CE1 3.84Å; Y48-F70 HydrophobicContact CD1-CE2 4.41Å; Y48-F70 AromaticContact CD1-CG 3.88Å; Y48-F70 HydrophobicContact CD1-CG 3.88Å; Y48-F70 HydrophobicContact CD1-CZ 4.21Å; Y48-F70 HydrophobicContact CE1-CB 4.28Å; Y48-F70 HydrophobicContact CE1-CD1 4.02Å; Y48-F70 HydrophobicContact CE1-CG 4.17Å; M51-F70 HydrophobicContact CB-CE1 3.98Å; M51-F70 HydrophobicContact CB-CZ 4.45Å; K52-F70 HydrophobicContact CB-CZ 4.17Å; P68-F70 VanDerWaalsContact C-N 3.29Å; P68-F70 HydrophobicContact CB-CD1 3.62Å; P68-F70 HydrophobicContact CB-CE1 3.38Å; P68-F70 HydrophobicContact CB-CZ 4.27Å; P68-F70 HydrophobicContact CG-CE1 4.14Å; P68-F70 PolarHBondContact O-N 2.94Å; F70-R72 VanDerWaalsContact C-N 3.29Å; F70-R72 PolarHBondContact O-N 3.41Å
71M88.9Confident71.1Confident20 Ų20100 Ų10010%0.09952%0.521CS..G310 helixtrans-79.5-9179.4-62.9177.769.400113.4Y31 K52 Y55 L67 P68 S69Y31-M71 HydrophobicContact CD1-CB 4.37Å; Y31-M71 HydrophobicContact CD1-CG 4.46Å; Y31-M71 HydrophobicContact CE1-CB 4.22Å; Y31-M71 HydrophobicContact CE1-CG 4.29Å; Y31-M71 HydrophobicContact CE2-CG 4.4Å; K52-M71 HydrophobicContact CB-SD 4.41Å; K52-M71 HydrophobicContact CD-CE 4.38Å; K52-M71 HydrophobicContact CG-CE 4.2Å; K52-M71 HydrophobicContact CG-SD 4.22Å; Y55-M71 HydrophobicContact CD1-CE 4.27Å; Y55-M71 HydrophobicContact CD1-SD 4.36Å; L67-M71 HydrophobicContact CD1-CB 3.87Å; L67-M71 HydrophobicContact CD1-CE 4.13Å; L67-M71 HydrophobicContact CD1-SD 4.14Å; L67-M71 HydrophobicContact CG-CB 4.28Å; P68-M71 HydrophobicContact CB-CG 4.35Å; P68-M71 HydrophobicContact CB-SD 4.28Å; P68-M71 HydrophobicContact CG-SD 3.97Å; P68-M71 PolarHBondContact O-N 3.38Å; S69-M71 PolarHBondContact O-N 2.91Å
72R81.3Confident68.8Low141 Ų141100.9 Ų100.953%0.53253%0.526SS..G310 helixtrans-79.9-24.2-176.2-58.3-177.4-172.1-172.40.1113.2L67 S69 F70 K74L67-R72 HydrophobicContact CD2-CG 3.97Å; L67-R72 HydrophobicContact CG-CG 4.28Å; L67-R72 PolarHBondContact O-NE 2.74Å; L67-R72 PolarHBondContact O-NH2 3.04Å; S69-R72 WeakPolarHBondContact O-CB 3.24Å; S69-R72 PolarHBondContact O-N 3.27Å; S69-R72 VanDerWaalsContact O-N 3.14Å; F70-R72 VanDerWaalsContact C-N 3.29Å; F70-R72 PolarHBondContact O-N 3.41Å; R72-K74 VanDerWaalsContact C-N 3.28Å; R72-K74 PolarHBondContact O-N 3.14Å; R72-K74 VanDerWaalsContact O-N 3.12Å
73N62.8Low66.9Low103 Ų103105.1 Ų105.155%0.55153%0.532SS*.THydrogen-bonded Turntrans-83.922.8-166.1-157.923.9000115.5
74K56.4Low64.7Low102 Ų102106.1 Ų106.144%0.44354%0.537SS..THydrogen-bonded Turntrans-125.1-0.6-177.2-143.5-163.1178.8163.20116.2K30 R72K30-K74 WeakPolarHBondContact O-CD 2.84Å; K30-K74 PolarHBondContact O-NZ 2.92Å; R72-K74 VanDerWaalsContact C-N 3.28Å; R72-K74 PolarHBondContact O-N 3.14Å; R72-K74 VanDerWaalsContact O-N 3.12Å
75R48.6Very low63Low194 Ų194103.1 Ų103.173%0.73253%0.531SS*.SBendtrans-881.6-176.9-67.2-169.9-178.8-176.9-0.7115.1
76V40Very low61.6Low87 Ų87109.2 Ų109.253%0.52756%0.561SS.*SBendtrans-86.3-37.1-171.5-174.10000112.1D78 Q80V76-D78 PolarHBondContact O-N 3.4Å; V76-Q80 VanDerWaalsContact CG1-OE1 3.23Å; V76-Q80 WeakPolarHBondContact O-CB 3.34Å
77T44.8Very low60Low124 Ų124107.8 Ų107.876%0.76155%0.554SS**THydrogen-bonded Turntrans-78.8-21.8-171.2-25.30000114.7
78D44.4Very low58.3Low122 Ų122112 Ų11265%0.65258%0.584SS**THydrogen-bonded Turntrans-97.6-4.5-168.3-53.9-14.1000113.4V76V76-D78 PolarHBondContact O-N 3.4Å
79F46.5Very low56.7Low181 Ų181117.8 Ų117.879%0.79461%0.614SS**THydrogen-bonded Turntrans-129.1-8.6-179.1-73.7-73.5000114.7G81F79-G81 PolarHBondContact O-N 2.94Å
80Q44.2Very low54.7Low105 Ų105122.4 Ų122.449%0.49162%0.619SS.*  trans-85.863.5-172.9-161.1156.81500112V76 N82 F84V76-Q80 VanDerWaalsContact CG1-OE1 3.23Å; V76-Q80 WeakPolarHBondContact O-CB 3.34Å; Q80-N82 PolarHBondContact O-N 3.48Å; Q80-F84 HydrophobicContact CG-CD2 4.25Å; Q80-F84 HydrophobicContact CG-CE2 4.29Å
81G40.6Very low52.8Low55 Ų55124.2 Ų124.257%0.56764%0.641SS**  trans-70.2121.6156.800000109.6F79F79-G81 PolarHBondContact O-N 2.94Å
82N45.9Very low50.9Low146 Ų146130.8 Ų130.878%0.78168%0.676SS**SBendtrans79.6136157.9-44.1-25.5000117.9Q80Q80-N82 PolarHBondContact O-N 3.48Å
83D51Low49.4Very low157 Ų157131.1 Ų131.184%0.8468%0.684SS**  trans5577.4153.7-145.421.7000117.8
84F44.8Very low48.4Very low159 Ų159132 Ų13270%0.69769%0.693SS**  trans-120.9116.3156.1-79.3-91.9000109.6Q80Q80-F84 HydrophobicContact CG-CD2 4.25Å; Q80-F84 HydrophobicContact CG-CE2 4.29Å
85D53.3Low47.7Very low151 Ų151135 Ų13581%0.80771%0.708SS**  trans-50144.9-178.3-162.4-0.3000113D87D85-D87 PolarHBondContact O-N 3.49Å
86N54.9Low47.8Very low152 Ų152128.5 Ų128.581%0.81368%0.684SS**  trans-81.481-173.9-78.6-92.7000110.7P88N86-P88 WeakPolarHBondContact O-CD 3.31Å
87D55.9Low47.8Very low111 Ų111128.8 Ų128.859%0.59469%0.688SS**  trans-78.4108.4162.9179.35.4000110.1D85 N89D85-D87 PolarHBondContact O-N 3.49Å; D87-N89 PolarHBondContact O-N 3.02Å; D87-N89 VanDerWaalsContact O-N 3.17Å; D87-N89 VanDerWaalsContact OD1-CB 3.29Å; D87-N89 WeakPolarHBondContact OD1-CB 3.45Å; D87-N89 PolarHBondContact OD1-N 3.33Å
88P55.3Low48.2Very low132 Ų132130.8 Ų130.886%0.85769%0.688SS**THydrogen-bonded Turntrans-71.7-5-179.632.5-36.9000113.3N86N86-P88 WeakPolarHBondContact O-CD 3.31Å
89N56.1Low48.2Very low138 Ų138129.9 Ų129.974%0.73868%0.681SS**THydrogen-bonded Turntrans-9813.8-172.7-146.3-0.9000114.3D87 G91D87-N89 PolarHBondContact O-N 3.02Å; D87-N89 VanDerWaalsContact O-N 3.17Å; D87-N89 VanDerWaalsContact OD1-CB 3.29Å; D87-N89 WeakPolarHBondContact OD1-CB 3.45Å; D87-N89 PolarHBondContact OD1-N 3.33Å; N89-G91 PolarHBondContact O-N 3.15Å
90R46.2Very low47.8Very low179 Ų179126 Ų12668%0.67567%0.673SS**  trans-74.836.3176-150.6-173.4-173.5-77.1-2.8114.3Q93R90-Q93 PolarHBondContact NH1-O 3.16Å
91G45.8Very low47.8Very low49 Ų49127.2 Ų127.251%0.50568%0.677SS.*THydrogen-bonded Turntrans-62.6134166.900000111N89N89-G91 PolarHBondContact O-N 3.15Å
92N50.7Low48.1Very low158 Ų158126.8 Ų126.885%0.84567%0.673SS**THydrogen-bonded Turntrans70.138.7159.2-44.9-27.7000117.8
93Q49.5Very low48Very low149 Ų149129.3 Ų129.370%0.69667%0.671SS**  trans-124.963.1165.3-70.7-158.568.500114.4R90R90-Q93 PolarHBondContact NH1-O 3.16Å
94V41.7Very low47.8Very low122 Ų122124 Ų12474%0.73964%0.642SS**  trans-13057.6144.4-79.30000109.3R96V94-R96 PolarHBondContact O-N 3.48Å
95Q41.5Very low47.8Very low164 Ų164121.4 Ų121.477%0.76663%0.633SS**  trans-69.867.5163.6-162.375.814.400109P97Q95-P97 WeakPolarHBondContact O-CD 3.29Å
96R49.6Very low47.1Very low58 Ų58118 Ų11822%0.21963%0.632CS.*  trans-50.7125.3161.1-172.1-178.9-155.8134.79.1105.1Y31 E36 V94 Q98Y31-R96 PolarHBondContact O-NH2 3.08Å; E36-R96 WeakPolarHBondContact OE1-CD 3.29Å; E36-R96 IonicContact OE1-CZ 3.82Å; E36-R96 IonicContact OE1-NH1 2.71Å; E36-R96 PolarHBondContact OE1-NH1 3.42Å; E36-R96 IonicContact OE2-CZ 2.66Å; E36-R96 IonicContact OE2-NH1 3.87Å; E36-R96 PolarHBondContact OE2-NH1 3.41Å; V94-R96 PolarHBondContact O-N 3.48Å; R96-Q98 PolarHBondContact O-N 2.99Å
97P42Very low46.9Very low93 Ų93117.1 Ų117.160%0.60463%0.627SS**  trans-57.8105.6178.8-25.634.5000108.4Q95 M99Q95-P97 WeakPolarHBondContact O-CD 3.29Å; P97-M99 PolarHBondContact O-N 2.71Å
98Q51.6Low46.4Very low166 Ų166116.8 Ų116.878%0.77662%0.62SS**  trans-65.796.4170.4-75.8-156.92900105.5R96 T100R96-Q98 PolarHBondContact O-N 2.99Å; Q98-T100 PolarHBondContact O-N 3.01Å
99M44.7Very low45.7Very low102 Ų102116 Ų11650%0.50262%0.615SS.*  trans-76.476-174.5-155.779131.800107.3P97 F101P97-M99 PolarHBondContact O-N 2.71Å; M99-F101 PolarHBondContact O-N 3.49Å
100T38.9Very low45Very low101 Ų101118.4 Ų118.462%0.6262%0.619SS**  trans-54.4126.417942.70000108.8Q98 G102 R103Q98-T100 PolarHBondContact O-N 3.01Å; T100-G102 PolarHBondContact O-N 2.86Å; T100-R103 PolarHBondContact O-N 3.34Å
101F44.7Very low44.9Very low129 Ų129116.7 Ų116.757%0.56662%0.622SS**G310 helixtrans-49.9-28.3-169.4178-103000114M99 R103 L104 Q105M99-F101 PolarHBondContact O-N 3.49Å; F101-R103 VanDerWaalsContact C-N 3.25Å; F101-R103 PolarHBondContact O-N 2.98Å; F101-L104 PolarHBondContact O-N 2.99Å; F101-Q105 HydrophobicContact CD1-CG 4.48Å; F101-Q105 HydrophobicContact CE1-CG 4.29Å; F101-Q105 PolarHBondContact O-N 2.97Å
102G46.8Very low44.8Very low47 Ų47122.1 Ų122.149%0.48564%0.636SS.*G310 helixtrans-51.3-36.4172.300000114.8T100 L104 Q105T100-G102 PolarHBondContact O-N 2.86Å; G102-L104 VanDerWaalsContact C-N 3.27Å; G102-L104 PolarHBondContact O-N 3.13Å; G102-Q105 WeakPolarHBondContact O-CB 3.41Å; G102-Q105 PolarHBondContact O-N 3.27Å
103R43.5Very low44.2Very low199 Ų199120.4 Ų120.475%0.75163%0.633SS**G310 helixtrans-74.1-16.9179.5-156.6176.9-173.8-1380.8113.6T100 F101T100-R103 PolarHBondContact O-N 3.34Å; F101-R103 VanDerWaalsContact C-N 3.25Å; F101-R103 PolarHBondContact O-N 2.98Å
104L46.3Very low43.9Very low44 Ų44123.1 Ų123.123%0.2364%0.643CS.*G310 helixtrans-87.6-16.9173.9-64.1173.3000112.7F101 G102 G106 I107 F108F101-L104 PolarHBondContact O-N 2.99Å; G102-L104 VanDerWaalsContact C-N 3.27Å; G102-L104 PolarHBondContact O-N 3.13Å; L104-G106 PolarHBondContact O-N 3.45Å; L104-G106 VanDerWaalsContact O-N 3.14Å; L104-I107 HydrophobicContact CD2-CD1 4.3Å; L104-I107 PolarHBondContact O-N 3.37Å; L104-F108 HydrophobicContact CB-CD2 4.34Å; L104-F108 HydrophobicContact CB-CE2 3.81Å; L104-F108 WeakPolarHBondContact O-CD2 3.44Å
105Q45.2Very low44Very low106 Ų106126.5 Ų126.550%0.49565%0.648SS.*THydrogen-bonded Turntrans-61.5-22.8179.8-65.1-17423.200113.5F101 G102 I107 F108F101-Q105 HydrophobicContact CD1-CG 4.48Å; F101-Q105 HydrophobicContact CE1-CG 4.29Å; F101-Q105 PolarHBondContact O-N 2.97Å; G102-Q105 WeakPolarHBondContact O-CB 3.41Å; G102-Q105 PolarHBondContact O-N 3.27Å; Q105-I107 PolarHBondContact O-N 3.03Å; Q105-F108 VanDerWaalsContact O-O 3.12Å
106G37.8Very low43.8Very low78 Ų78124.5 Ų124.580%0.80465%0.649SS**THydrogen-bonded Turntrans-74.3-8.6173.100000115.1L104L104-G106 PolarHBondContact O-N 3.45Å; L104-G106 VanDerWaalsContact O-N 3.14Å
107I50.7Low43.2Very low135 Ų135126.3 Ų126.369%0.69268%0.676SS**THydrogen-bonded Turntrans-106.9-9.6179.9-44.2-179.6000110.9L104 Q105L104-I107 HydrophobicContact CD2-CD1 4.3Å; L104-I107 PolarHBondContact O-N 3.37Å; Q105-I107 PolarHBondContact O-N 3.03Å
108F46.4Very low43.3Very low104 Ų104131.1 Ų131.146%0.45669%0.691SS.*SBendtrans-108135.9177-61.7-62.5000110.6L104 Q105 K110L104-F108 HydrophobicContact CB-CD2 4.34Å; L104-F108 HydrophobicContact CB-CE2 3.81Å; L104-F108 WeakPolarHBondContact O-CD2 3.44Å; Q105-F108 VanDerWaalsContact O-O 3.12Å; F108-K110 PolarHBondContact O-N 3.22Å
109P39.7Very low42.8Very low115 Ų115132.3 Ų132.375%0.74770%0.696SS**  trans-57.8127.9165.4-17.329000109.4I111P109-I111 PolarHBondContact O-N 2.91Å
110K41Very low42.2Very low188 Ų188130.5 Ų130.582%0.81770%0.704SS**  trans-71.791.1178.6-173.4170.2-178.3173.30109.5F108 M112F108-K110 PolarHBondContact O-N 3.22Å; K110-M112 PolarHBondContact O-N 2.89Å
111I45.5Very low42.1Very low144 Ų144132.7 Ų132.774%0.73871%0.712SS**  trans-62.4104.1179.1-55.7176.7000108.7P109P109-I111 PolarHBondContact O-N 2.91Å
112M42.9Very low41.4Very low162 Ų162133.3 Ų133.380%0.79873%0.726SS**PPolyproline II helixtrans-79.7122.2168.7-70178.170.200108.4K110 K114K110-M112 PolarHBondContact O-N 2.89Å; M112-K114 PolarHBondContact O-N 3.21Å; M112-K114 VanDerWaalsContact O-N 3.13Å
113P38.7Very low41.5Very low123 Ų123136 Ų13680%0.79974%0.737SS**PPolyproline II helixtrans-64.4117.716926.9-31.8000108.2K115P113-K115 PolarHBondContact O-N 2.8Å
114K42.8Very low41.1Very low206 Ų206136.3 Ų136.390%0.89674%0.744SS**PPolyproline II helixtrans-64126.5171.5-145.3173.9-174-179.10106.8M112M112-K114 PolarHBondContact O-N 3.21Å; M112-K114 VanDerWaalsContact O-N 3.13Å
115K43.7Very low40.4Very low193 Ų193143.3 Ų143.384%0.83978%0.775SS**PPolyproline II helixtrans-54.8137.1174.7-69.2-176177.3-175.80108.6P113 A117P113-K115 PolarHBondContact O-N 2.8Å; K115-A117 PolarHBondContact O-N 2.83Å
116P37.3Very low40Very low122 Ų122144.6 Ų144.679%0.79279%0.79SS**PPolyproline II helixtrans-59.5137.2166.127.4-32.7000108.2
117A37.5Very low40.4Very low96 Ų96145.9 Ų145.979%0.79378%0.784SS**PPolyproline II helixtrans-67.3139.216700000108.1K115 E119K115-A117 PolarHBondContact O-N 2.83Å; A117-E119 PolarHBondContact O-N 2.96Å; A117-E119 VanDerWaalsContact O-N 3.08Å
118E44.2Very low39.3Very low194 Ų194148.2 Ų148.291%0.90779%0.792SS**  trans-70.5100.9180-170.4169.4-174.900109.1G120E118-G120 PolarHBondContact O-N 3.18Å
119E39.6Very low38.4Very low190 Ų190147.8 Ų147.889%0.88881%0.808SS**  trans-7493.7173.2-172.3172.6-178.400108.4A117 N121A117-E119 PolarHBondContact O-N 2.96Å; A117-E119 VanDerWaalsContact O-N 3.08Å; E119-N121 PolarHBondContact O-N 2.84Å; E119-N121 VanDerWaalsContact O-N 3.16Å
120G32.3Very low38Very low65 Ų65148.3 Ų148.367%0.6782%0.815SS**  trans-62.4112.9-177.200000112.1E118 V122E118-G120 PolarHBondContact O-N 3.18Å; G120-V122 PolarHBondContact O-N 2.78Å
121N38.7Very low37.4Very low146 Ų146142.5 Ų142.578%0.78181%0.808SS**  trans-80.1113.1173.561.2-47.7000110.7E119E119-N121 PolarHBondContact O-N 2.84Å; E119-N121 VanDerWaalsContact O-N 3.16Å
122V29.8Very low37.9Very low143 Ų143141.5 Ų141.587%0.86781%0.811SS**  trans-121.8102.7165.9-179.50000109G120G120-V122 PolarHBondContact O-N 2.78Å
123S47.8Very low37.3Very low102 Ų102142.7 Ų142.771%0.71381%0.814SS**  trans-75.6136.6167.3-45.90000110
124K35.6Very low37.3Very low206 Ų206143 Ų14390%0.89681%0.809SS**  trans-175.2149.2132.1-102.6163.2-172-173.60114.2
125E31.5Very low36.8Very low191 Ų191141.2 Ų141.289%0.89381%0.81SS**  trans-55.1165.2-179.1-89.8157.7121.600118.3
126V35.9Very low36.2Very low133 Ų133135.5 Ų135.581%0.80681%0.805SS**  trans-91.3152.7177170.90000107.5
127P47.8Very low36.4Very low105 Ų105139.5 Ų139.568%0.68281%0.811SS**  -155.5168.763.741.4-18000121.8
128E27.8Very low36.3Very low184 Ų184143 Ų14386%0.8681%0.811SS**  trans48.2126.2147.6-70.5-177.8122.900123.2
129A27.1Very low35.7Very low96 Ų96140 Ų14079%0.79380%0.8SS**  166154.792.800000114.6
130S31.8Very low35.2Very low126 Ų126136.1 Ų136.188%0.88179%0.792SS**  trans74125.5160.2-147.50000120.5
131G27.1Very low36.1Very low66 Ų66138.4 Ų138.468%0.6880%0.796SS**  trans-117.6-145.7160.900000109.8
132P55.5Low36.5Very low122 Ų122137.1 Ų137.179%0.79280%0.795SS**  cis-121.6166.2-30.139.2-27.3000111.4
133Q30.8Very low36.4Very low187 Ų187134 Ų13487%0.87479%0.793SS**  trans-152.7125.9154.7-160162.1-8.700114.1
134N38.6Very low35.7Very low130 Ų130138.7 Ų138.770%0.69580%0.8SS**  trans-106179.3169.8-46.3-34.7000109.1
135D32.5Very low36.1Very low168 Ų168134 Ų13490%0.89879%0.791SS**  trans100.6112.1166.6-54.3-24.6000116.7
136G31Very low36Very low73 Ų73131.1 Ų131.175%0.75379%0.786SS**  trans-157.6-0.9-171.200000118.3
137K42.8Very low35.5Very low207 Ų207130.5 Ų130.590%0.978%0.783SS**  trans77.5114.5161.3-40.7-165.5-172.4-164.20120.1
138Q35.1Very low34.9Very low170 Ų170130.2 Ų130.279%0.79478%0.783SS**  trans-48.4170.3143.1-87.7-179.7-53.600113.5
139L29.9Very low35.1Very low129 Ų129130.3 Ų130.368%0.67578%0.784SS**  cis-165.3134.69.6-113.2156.5000108.9
140C29.3Very low35.7Very low109 Ų109134 Ų13474%0.73678%0.782SS**  54.4175.3121.7-87.70000124.2
141P52.2Low36.2Very low114 Ų114135.2 Ų135.274%0.7478%0.777SS**  cis-132.8-126.2-18.528.1-1000114.6
142P46.3Very low36.5Very low118 Ų118138.5 Ų138.577%0.76678%0.779SS**  -133.7174.2-107.244-25.6000117.9
143G27.7Very low35.5Very low79 Ų79141.2 Ų141.281%0.81478%0.783SS**  trans-155.1132.1164.200000113
144K34.2Very low35.7Very low200 Ų200140 Ų14087%0.8778%0.781SS**  trans-123.4-168.9-177.3-67.9-173.9178.2-179.40109.7
145P42.7Very low35.5Very low108 Ų108139.6 Ų139.670%0.70179%0.788SS**  -128.3179-65.838.1-23.3000112
146T30.5Very low35.4Very low129 Ų129135.1 Ų135.179%0.79178%0.782SS**  trans168.4122.6134.638.40000108.8
147T25.8Very low35.6Very low121 Ų121141.6 Ų141.674%0.74279%0.789SS**  92.5119.672.9-51.60000113.3
148S34.8Very low35.5Very low98 Ų98142.8 Ų142.869%0.68579%0.788SS**  trans43.7130.8158.667.50000121.8
149E30.6Very low35.6Very low187 Ų187144.2 Ų144.287%0.87479%0.792SS**  -176.8172.892.6-98.2-162.1152.800114.1
150K40.5Very low35.9Very low174 Ų174146 Ų14676%0.75780%0.796SS**  trans-125.5115.4-168.9163.9-158.1174.2-175.40109.2
151I42.5Very low36Very low151 Ų151150.2 Ų150.277%0.77480%0.803SS**  trans-151.2121166.732.3176.1000108.5
152N32.3Very low34.9Very low134 Ų134154.7 Ų154.772%0.71781%0.805SS**  89.114258.4-64.1-0.9000112.2
153M34.2Very low34.2Very low179 Ų179155.4 Ų155.488%0.88280%0.802SS**  trans-74.5164-167.1-66.9-175.3156.400115.4
154I36Very low34.7Very low162 Ų162158.6 Ų158.683%0.83180%0.801SS**  155.6150.6120.8-80.2159.2000113.9
155S33.4Very low35.5Very low121 Ų121154.1 Ų154.185%0.84679%0.792SS**  trans99135.8162.180.40000115
156G31.3Very low35.2Very low75 Ų75156.1 Ų156.177%0.77380%0.802SS**  cis175.1170.3600000106.1
157K35.8Very low35.3Very low209 Ų209153.1 Ų153.191%0.90980%0.797SS**  cis-140.4155.17.2-69.3-169.2175.3-173.30110.5
158R39.3Very low35.6Very low232 Ų232157.5 Ų157.588%0.87581%0.806SS**  trans-76.4145.1162.2-62.7172.8-179.7139.7-0.4109.8
159K38.7Very low35.7Very low200 Ų200158.8 Ų158.887%0.8781%0.812SS**  trans-117.8109.7151.8-110.7-176.4176.9-178.80107.6
160Q35.8Very low35.7Very low165 Ų165153.2 Ų153.277%0.77181%0.805SS**  trans-88.4136.3167.1-83.9176.7-32.300108.8
161F31.1Very low35.3Very low199 Ų199153.1 Ų153.187%0.87381%0.813SS**  trans-127.6116.4148.7-90-86.2000107.6
162R29.3Very low35.1Very low208 Ų208152.1 Ų152.179%0.78581%0.813SS**  trans-95.4149.3158.2-154.8-171.3-91.6-156.6-7.9104.3
163N31.4Very low35.2Very low132 Ų132153.7 Ų153.771%0.70682%0.816SS**  cis-149175.434.7-37.9-80.1000108.6
164N37.8Very low35Very low147 Ų147151.1 Ų151.179%0.78681%0.811SS**  cis-152.8-179.9-1.5-129.612.5000108.9
165P50.7Low35.1Very low106 Ų106148.2 Ų148.269%0.68880%0.803SS**  trans-104.7140.5-159.837.8-34.3000116.7
166T37.8Very low35.1Very low149 Ų149145.8 Ų145.891%0.91480%0.797SS**  trans-157.3127.6152.542.90000110.2
167G31.5Very low35.3Very low66 Ų66150.2 Ų150.268%0.6880%0.802SS**SBendtrans123.473.5159.700000118.7
168F32.7Very low35.2Very low214 Ų214142.9 Ų142.994%0.93979%0.787SS**  trans65.2147.3153.1-67.2-83.9000121.2
169P36.3Very low35Very low124 Ų124137.9 Ų137.981%0.80578%0.782SS**  trans-105.2160.2-175.340.1-33.1000113.5
170G30.4Very low34.7Very low70 Ų70137.1 Ų137.172%0.72277%0.773SS**  trans149.122.9152.200000121.4V172G170-V172 PolarHBondContact O-N 3.19Å
171D33.1Very low34.5Very low172 Ų172137.3 Ų137.392%0.9277%0.774SS**  trans-80105170.9-76.1-38.1000111.6Q173D171-Q173 PolarHBondContact O-N 2.75Å
172V37.8Very low34.7Very low130 Ų130131 Ų13179%0.78877%0.765SS**  trans-72.8114170.7172.40000109.4G170 V174G170-V172 PolarHBondContact O-N 3.19Å; V172-V174 HydrophobicContact CG1-CG2 4.44Å; V172-V174 PolarHBondContact O-N 3.31Å
173Q34Very low35.1Very low167 Ų167126.2 Ų126.278%0.7876%0.764SS**  trans-70.593177.4-171.6178.419.800111.5D171 C175D171-Q173 PolarHBondContact O-N 2.75Å; Q173-C175 VanDerWaalsContact C-N 3.34Å; Q173-C175 PolarHBondContact O-N 3.14Å
174V31.9Very low35.4Very low126 Ų126128.1 Ų128.176%0.76477%0.768SS**  trans-77.885.8168-179.50000109.4V172V172-V174 HydrophobicContact CG1-CG2 4.44Å; V172-V174 PolarHBondContact O-N 3.31Å
175C37.7Very low35.5Very low100 Ų100126.8 Ų126.868%0.67676%0.76SS**  trans-74.6130.5165.6-78.20000110.3Q173Q173-C175 VanDerWaalsContact C-N 3.34Å; Q173-C175 PolarHBondContact O-N 3.14Å
176G33.7Very low34.8Very low70 Ų70127 Ų12772%0.72276%0.759SS**  trans118.350.9163.900000116.9G178G176-G178 PolarHBondContact O-N 3.39Å
177L35.4Very low35.2Very low168 Ų168125.7 Ų125.788%0.8875%0.746SS**  trans-67.884.9154.6-118.579.9000108.9V179L177-V179 PolarHBondContact O-N 3.43Å; L177-V179 VanDerWaalsContact O-N 3.16Å
178G33Very low35.5Very low56 Ų56124.5 Ų124.558%0.57773%0.733SS**  trans-63.3112.3164.100000108.3G176 W180G176-G178 PolarHBondContact O-N 3.39Å; G178-W180 PolarHBondContact O-N 3.46Å
179V35Very low35.9Very low127 Ų127120.8 Ų120.877%0.7773%0.731SS**  trans-62.5103.3179.9175.10000108.9L177 H181L177-V179 PolarHBondContact O-N 3.43Å; L177-V179 VanDerWaalsContact O-N 3.16Å; V179-H181 PolarHBondContact O-N 3Å
180W33.2Very low36Very low183 Ų183116.7 Ų116.769%0.69371%0.711SS**  trans-73.495.8171.4-94.773.9000109.1G178 G182 R201G178-W180 PolarHBondContact O-N 3.46Å; W180-G182 PolarHBondContact O-N 2.85Å; W180-R201 VanDerWaalsContact CZ2-CZ 3.41Å; W180-R201 VanDerWaalsContact CZ2-NH1 3.29Å
181H31.1Very low37.2Very low169 Ų169116.8 Ų116.878%0.78269%0.69SS**  trans-59.5108.3159.9-105.9-86.4000107.6V179 S183V179-H181 PolarHBondContact O-N 3Å; H181-S183 PolarHBondContact O-N 3Å
182G35.2Very low37.8Very low67 Ų67110.5 Ų110.569%0.69166%0.662SS**  trans-67.895.917900000110.4W180 Q184W180-G182 PolarHBondContact O-N 2.85Å; G182-Q184 PolarHBondContact O-N 2.93Å
183S38Very low38.1Very low108 Ų108110.8 Ų110.876%0.75566%0.655SS**  trans-55.6122.1164.2-66.50000108.7H181 I185H181-S183 PolarHBondContact O-N 3Å; S183-I185 PolarHBondContact O-N 3.03Å
184Q37.2Very low38.8Very low171 Ų171106.3 Ų106.380%0.79963%0.634SS**  trans-64.5123.5175.4-62.8175.416.400108G182 T186G182-Q184 PolarHBondContact O-N 2.93Å; Q184-T186 PolarHBondContact O-N 2.79Å
185I40Very low39.6Very low120 Ų120102.7 Ų102.762%0.61561%0.61SS**  trans-71.172.2178.549.1161.4000111.5S183 L187S183-I185 PolarHBondContact O-N 3.03Å; I185-L187 VanDerWaalsContact C-N 3.32Å; I185-L187 PolarHBondContact O-N 2.94Å
186T36.1Very low40.2Very low109 Ų109100.2 Ų100.267%0.66960%0.597SS**  trans-71.491.6162.948.60000108.1Q184 G188Q184-T186 PolarHBondContact O-N 2.79Å; T186-G188 PolarHBondContact O-N 3.14Å
187L45.5Very low40.9Very low123 Ų123103.3 Ų103.364%0.64459%0.592SS**  trans-6773.9175.1-76.8167.5000111.2I185 W191 E194I185-L187 VanDerWaalsContact C-N 3.32Å; I185-L187 PolarHBondContact O-N 2.94Å; L187-W191 HydrophobicContact CD2-CB 3.77Å; L187-E194 WeakPolarHBondContact CD2-OE2 3.31Å
188G38.9Very low41.5Very low40 Ų4099.7 Ų99.741%0.41257%0.573SS.*  trans-78.9-168.7162.500000111.6T186 G190 W191T186-G188 PolarHBondContact O-N 3.14Å; G188-G190 PolarHBondContact O-N 2.78Å; G188-W191 PolarHBondContact O-N 2.94Å
189P39.8Very low42.2Very low137 Ų137102 Ų10289%0.8957%0.569SS**THydrogen-bonded Turntrans-62.4-9.4-172.221.5-31.8000116W191P189-W191 PolarHBondContact O-N 2.74Å
190G40Very low42.3Very low37 Ų37104.2 Ų104.238%0.38157%0.573SS.*THydrogen-bonded Turntrans-83.58.9177.900000116.8G188 A192 E193 E194G188-G190 PolarHBondContact O-N 2.78Å; G190-A192 PolarHBondContact O-N 2.72Å; G190-E193 WeakPolarHBondContact O-CB 3.39Å; G190-E193 PolarHBondContact O-N 3.49Å; G190-E194 PolarHBondContact O-N 3.32Å
191W54Low42.8Very low72 Ų72103.9 Ų103.927%0.27357%0.572SS.*Hα-helixtrans-52.1-28.1-175.371.9-75.8000115.7I21 I46 L187 G188 P189 E193 E194 L195I21-W191 HydrophobicContact CD1-CE3 4.37Å; I21-W191 HydrophobicContact CD1-CH2 3.72Å; I21-W191 HydrophobicContact CD1-CZ3 3.48Å; I21-W191 VanDerWaalsContact CD1-CZ3 3.48Å; I46-W191 HydrophobicContact CD1-CE3 4.48Å; I46-W191 HydrophobicContact CD1-CZ3 4Å; L187-W191 HydrophobicContact CD2-CB 3.77Å; G188-W191 PolarHBondContact O-N 2.94Å; P189-W191 PolarHBondContact O-N 2.74Å; W191-E193 VanDerWaalsContact C-N 3.32Å; W191-E194 PolarHBondContact O-N 2.94Å; W191-L195 HydrophobicContact CE3-CD1 3.59Å; W191-L195 HydrophobicContact CZ3-CD1 3.65Å; W191-L195 PolarHBondContact O-N 3.05Å; W191-L195 VanDerWaalsContact O-N 3.14Å
192A46.9Very low43.1Very low41 Ų41104.2 Ų104.234%0.33959%0.591SS.*Hα-helixtrans-67-32.3175.300000112.5P18 G190 A196P18-A192 HydrophobicContact CG-CB 4.44Å; G190-A192 PolarHBondContact O-N 2.72Å; A192-A196 WeakPolarHBondContact O-CB 3.19Å; A192-A196 PolarHBondContact O-N 3.11Å
193E44.2Very low43.5Very low136 Ų136106.1 Ų106.164%0.63659%0.586SS**Hα-helixtrans-75.9-37.9176.2-62.7-178.3178.800111.3G190 W191 L195 A196 Q197G190-E193 WeakPolarHBondContact O-CB 3.39Å; G190-E193 PolarHBondContact O-N 3.49Å; W191-E193 VanDerWaalsContact C-N 3.32Å; E193-L195 VanDerWaalsContact C-N 3.33Å; E193-L195 PolarHBondContact O-N 2.86Å; E193-A196 CarbonylContact O-C 3.58Å; E193-A196 PolarHBondContact O-N 3.45Å; E193-A196 VanDerWaalsContact O-N 3.15Å; E193-Q197 WeakPolarHBondContact O-CB 3.19Å; E193-Q197 VanDerWaalsContact O-CG 3.31Å; E193-Q197 WeakPolarHBondContact O-CG 2.79Å; E193-Q197 PolarHBondContact O-N 3.32Å
194E46.9Very low43.8Very low73 Ų73105.9 Ų105.934%0.34158%0.577SS.*Hα-helixtrans-62.3-40.5172.7-69.4-162.9142.700111.7L187 G190 W191 A196 Q197 L198L187-E194 WeakPolarHBondContact CD2-OE2 3.31Å; G190-E194 PolarHBondContact O-N 3.32Å; W191-E194 PolarHBondContact O-N 2.94Å; E194-A196 VanDerWaalsContact C-N 3.32Å; E194-A196 PolarHBondContact O-N 3.27Å; E194-Q197 PolarHBondContact O-N 3.17Å; E194-L198 PolarHBondContact O-N 2.87Å
195L50.8Low44.2Very low50 Ų50102.3 Ų102.326%0.26257%0.565SS.*Hα-helixtrans-69-28.6174.2-71.5177.1000113.2I21 W191 E193 Q199I21-L195 HydrophobicContact CD1-CD1 3.53Å; I21-L195 HydrophobicContact CG1-CD1 4.5Å; W191-L195 HydrophobicContact CE3-CD1 3.59Å; W191-L195 HydrophobicContact CZ3-CD1 3.65Å; W191-L195 PolarHBondContact O-N 3.05Å; W191-L195 VanDerWaalsContact O-N 3.14Å; E193-L195 VanDerWaalsContact C-N 3.33Å; E193-L195 PolarHBondContact O-N 2.86Å; L195-Q199 PolarHBondContact O-N 3.36Å
196A49.7Very low44.4Very low48 Ų48101.3 Ų101.340%0.39756%0.562SS.*Hα-helixtrans-74.8-38.8172.100000112.2A192 E193 E194 L198 Q199 M200A192-A196 WeakPolarHBondContact O-CB 3.19Å; A192-A196 PolarHBondContact O-N 3.11Å; E193-A196 CarbonylContact O-C 3.58Å; E193-A196 PolarHBondContact O-N 3.45Å; E193-A196 VanDerWaalsContact O-N 3.15Å; E194-A196 VanDerWaalsContact C-N 3.32Å; E194-A196 PolarHBondContact O-N 3.27Å; A196-L198 VanDerWaalsContact C-N 3.29Å; A196-L198 PolarHBondContact O-N 3.44Å; A196-Q199 WeakPolarHBondContact O-CA 3.33Å; A196-Q199 VanDerWaalsContact O-CB 3.25Å; A196-Q199 WeakPolarHBondContact O-CB 3.39Å; A196-Q199 PolarHBondContact O-N 2.89Å; A196-M200 PolarHBondContact O-N 3.05Å
197Q47Very low45Very low134 Ų134100.8 Ų100.863%0.62656%0.555SS**Hα-helixtrans-63-36.5172.4-72.4176.743.700111.3E193 E194 Q199 M200E193-Q197 WeakPolarHBondContact O-CB 3.19Å; E193-Q197 VanDerWaalsContact O-CG 3.31Å; E193-Q197 WeakPolarHBondContact O-CG 2.79Å; E193-Q197 PolarHBondContact O-N 3.32Å; E194-Q197 PolarHBondContact O-N 3.17Å; Q197-Q199 PolarHBondContact O-N 3.08Å; Q197-M200 PolarHBondContact O-N 3.47Å
198L48.6Very low44.9Very low93 Ų9399.3 Ų99.349%0.48755%0.549SS..THydrogen-bonded Turntrans-63.8-18.8171.2-149.980.7000113.3E194 A196E194-L198 PolarHBondContact O-N 2.87Å; A196-L198 VanDerWaalsContact C-N 3.29Å; A196-L198 PolarHBondContact O-N 3.44Å
199Q48Very low45.4Very low105 Ų105103.6 Ų103.649%0.49156%0.559SS.*THydrogen-bonded Turntrans-88-22.2178.8-161.3-178.2-53.500113L195 A196 Q197 R201L195-Q199 PolarHBondContact O-N 3.36Å; A196-Q199 WeakPolarHBondContact O-CA 3.33Å; A196-Q199 VanDerWaalsContact O-CB 3.25Å; A196-Q199 WeakPolarHBondContact O-CB 3.39Å; A196-Q199 PolarHBondContact O-N 2.89Å; Q197-Q199 PolarHBondContact O-N 3.08Å; Q199-R201 VanDerWaalsContact C-N 3.29Å; Q199-R201 PolarHBondContact O-N 3.16Å
200M38Very low45.8Very low173 Ų173101 Ų10185%0.85253%0.533SS*.THydrogen-bonded Turntrans-87.911.8-179.9-70.6-69-69.600113.6A196 Q197A196-M200 PolarHBondContact O-N 3.05Å; Q197-M200 PolarHBondContact O-N 3.47Å
201R42.6Very low46.3Very low175 Ų175106.3 Ų106.366%0.6655%0.546SS*.THydrogen-bonded Turntrans-126.116-171.2-139-179.5-135.1152.126115.2W180 Q199W180-R201 VanDerWaalsContact CZ2-CZ 3.41Å; W180-R201 VanDerWaalsContact CZ2-NH1 3.29Å; Q199-R201 VanDerWaalsContact C-N 3.29Å; Q199-R201 PolarHBondContact O-N 3.16Å
202C38.4Very low45.6Very low176 Ų176109.5 Ų109.5100%1.18957%0.571SS**  trans-119.20176.1-690000109.6

Retrieved 202 of 202 residues in 112.2 ms (Link to these results)

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