A0A1D5RBI5_MACMU Loading...

Serine/threonine-protein kinase TAO3

AlphaFold DB , UniProt , Accession A0A1D5RBI5, Species MACMU (Macaca mulatta, Rhesus macaque), Gene TAOK3, Length 914 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
1M31.7Very low56.2Low249 Ų249137 Ų137100%1.22769%0.694SS**  0113.70-73.3178.417000108
2R28.1Very low58.5Low253 Ų253128.1 Ų128.196%0.95566%0.657SS**  trans-84.2134.9177.1-81.3-177.2-176174.51.9109.4G4R2-G4 PolarHBondContact O-N 3.11Å
3K40.3Very low60.9Low200 Ų200127.2 Ų127.287%0.8765%0.654SS**  trans-46.8127.3173.3-67.8179.9174.3-173.40109.6V5K3-V5 PolarHBondContact O-N 2.88Å
4G42.1Very low63Low82 Ų82119.1 Ų119.185%0.84561%0.613SS**  trans-66.996.9177.300000110.2R2 L6R2-G4 PolarHBondContact O-N 3.11Å; G4-L6 PolarHBondContact O-N 3.47Å
5V49.1Very low65.1Low124 Ų124112.3 Ų112.375%0.75258%0.577SS**  trans-76121.7173.5-178.40000107.6K3 K7K3-V5 PolarHBondContact O-N 2.88Å; V5-K7 PolarHBondContact O-N 3.27Å
6L59.7Low66.9Low57 Ų57113.4 Ų113.430%0.29857%0.573SS.*  trans-54.2122.6167.4-76160.2000108.1G4 D8 I11 A12 F15 W66 L92G4-L6 PolarHBondContact O-N 3.47Å; L6-D8 VanDerWaalsContact C-N 3.26Å; L6-D8 PolarHBondContact O-N 3.28Å; L6-I11 HydrophobicContact CD1-CG2 4.31Å; L6-I11 HydrophobicContact CD2-CG2 4.24Å; L6-A12 HydrophobicContact CB-CB 4.29Å; L6-F15 HydrophobicContact CD1-CD2 4.2Å; L6-W66 HydrophobicContact CD2-CZ2 4Å; L6-L92 HydrophobicContact CD1-CD2 3.9Å; L6-L92 HydrophobicContact CG-CD2 4.44Å
7K56.6Low68.3Low211 Ų211118.3 Ų118.392%0.91759%0.59SS**SBendtrans-72-17.8-172.2-70.2-175.6177.8-178.30114.1V5V5-K7 PolarHBondContact O-N 3.27Å
8D73.7Confident69.6Low69 Ų69116.9 Ų116.937%0.36959%0.585SS.*  trans-102.4117.7-178.2-174.8-20.5000109.7L6 E10 I11 A12L6-D8 VanDerWaalsContact C-N 3.26Å; L6-D8 PolarHBondContact O-N 3.28Å; D8-E10 VanDerWaalsContact C-N 3.33Å; D8-E10 PolarHBondContact O-N 3.44Å; D8-E10 PolarHBondContact OD1-N 3.16Å; D8-I11 HydrophobicContact CB-CB 4.16Å; D8-I11 HydrophobicContact CB-CD1 3.92Å; D8-I11 HydrophobicContact CB-CG1 4.03Å; D8-I11 PolarHBondContact O-N 3.36Å; D8-A12 PolarHBondContact O-N 2.73Å
9P76.3Confident70.8Confident92 Ų92113.4 Ų113.460%0.59757%0.568SS**Hα-helixtrans-62.8-35.3-178.425.3-32.9000113I11 A12 D13P9-I11 VanDerWaalsContact C-N 3.27Å; P9-I11 PolarHBondContact O-N 2.9Å; P9-A12 PolarHBondContact O-N 3.34Å; P9-D13 VanDerWaalsContact O-CG 3.3Å; P9-D13 PolarHBondContact O-N 3.05Å
10E79.3Confident72Confident138 Ų138107.7 Ų107.765%0.64554%0.539SS*.Hα-helixtrans-66.3-33.4179.6-69.4-169.717700112D8D8-E10 VanDerWaalsContact C-N 3.33Å; D8-E10 PolarHBondContact O-N 3.44Å; D8-E10 PolarHBondContact OD1-N 3.16Å
11I81.4Confident73Confident32 Ų32107.6 Ų107.616%0.16454%0.537CS..Hα-helixtrans-77.2-39.4176.8-61.8179.3000110.2L6 D8 P9 D13 L14 F15 W66 L70L6-I11 HydrophobicContact CD1-CG2 4.31Å; L6-I11 HydrophobicContact CD2-CG2 4.24Å; D8-I11 HydrophobicContact CB-CB 4.16Å; D8-I11 HydrophobicContact CB-CD1 3.92Å; D8-I11 HydrophobicContact CB-CG1 4.03Å; D8-I11 PolarHBondContact O-N 3.36Å; P9-I11 VanDerWaalsContact C-N 3.27Å; P9-I11 PolarHBondContact O-N 2.9Å; I11-D13 VanDerWaalsContact C-N 3.26Å; I11-D13 PolarHBondContact O-N 3.29Å; I11-L14 WeakPolarHBondContact O-CB 3.43Å; I11-L14 PolarHBondContact O-N 2.88Å; I11-F15 HydrophobicContact CG2-CE2 4.22Å; I11-F15 VanDerWaalsContact O-CD2 3.26Å; I11-F15 WeakPolarHBondContact O-CD2 3.42Å; I11-W66 HydrophobicContact CG2-CZ2 3.71Å; I11-L70 HydrophobicContact CD1-CD1 4.22Å; I11-L70 HydrophobicContact CG1-CD1 4.47Å; I11-L70 HydrophobicContact CG2-CD1 4.47Å; I11-L70 HydrophobicContact CG2-CD2 3.85Å
12A83.4Confident75.9Confident30 Ų30102.9 Ų102.925%0.24851%0.512CS..Hα-helixtrans-61.1-36.5177.500000111.9L6 D8 P9 L14 F15L6-A12 HydrophobicContact CB-CB 4.29Å; D8-A12 PolarHBondContact O-N 2.73Å; P9-A12 PolarHBondContact O-N 3.34Å; A12-L14 PolarHBondContact O-N 3.3Å; A12-F15 PolarHBondContact O-N 2.96Å
13D89.4Confident79Confident116 Ų11691.9 Ų91.962%0.6247%0.472SS*.THydrogen-bonded Turntrans-70-8.2179.9-74-8.8000114.4P9 I11 R77P9-D13 VanDerWaalsContact O-CG 3.3Å; P9-D13 PolarHBondContact O-N 3.05Å; I11-D13 VanDerWaalsContact C-N 3.26Å; I11-D13 PolarHBondContact O-N 3.29Å; D13-R77 PolarHBondContact O-NH1 3.49Å
14L91.2Very high81.7Confident15 Ų1582.8 Ų82.88%0.07943%0.433CS..THydrogen-bonded Turntrans-82.4-17.8174.8-62.5172.1000112.9I11 A12 L70 V73 K74I11-L14 WeakPolarHBondContact O-CB 3.43Å; I11-L14 PolarHBondContact O-N 2.88Å; A12-L14 PolarHBondContact O-N 3.3Å; L14-L70 HydrophobicContact CD1-CD2 3.69Å; L14-V73 HydrophobicContact CB-CG1 4.15Å; L14-V73 HydrophobicContact CD2-CG1 4.45Å; L14-K74 HydrophobicContact CD1-CG 4.09Å; L14-K74 HydrophobicContact CD2-CG 3.93Å
15F94.4Very high84.2Confident17 Ų1783.2 Ų83.28%0.07542%0.415CS..SBendtrans-121.8138.1-172.7-55.1-87.1000111.9L6 I11 A12 W66 I69 L70 C90 L92 A97L6-F15 HydrophobicContact CD1-CD2 4.2Å; I11-F15 HydrophobicContact CG2-CE2 4.22Å; I11-F15 VanDerWaalsContact O-CD2 3.26Å; I11-F15 WeakPolarHBondContact O-CD2 3.42Å; A12-F15 PolarHBondContact O-N 2.96Å; F15-W66 HydrophobicContact CD2-CH2 4.45Å; F15-W66 HydrophobicContact CE1-CH2 4.21Å; F15-W66 HydrophobicContact CE1-CZ3 4.49Å; F15-W66 AromaticContact CE2-CH2 3.49Å; F15-W66 HydrophobicContact CE2-CH2 3.49Å; F15-W66 VanDerWaalsContact CE2-CH2 3.49Å; F15-W66 AromaticContact CE2-CZ2 3.94Å; F15-W66 HydrophobicContact CE2-CZ2 3.94Å; F15-W66 HydrophobicContact CE2-CZ3 4.45Å; F15-W66 AromaticContact CZ-CH2 3.34Å; F15-W66 HydrophobicContact CZ-CH2 3.34Å; F15-W66 HydrophobicContact CZ-CZ2 4.11Å; F15-W66 AromaticContact CZ-CZ3 3.87Å; F15-W66 HydrophobicContact CZ-CZ3 3.87Å; F15-I69 HydrophobicContact CE1-CG2 4.44Å; F15-I69 HydrophobicContact CZ-CG2 4.35Å; F15-L70 HydrophobicContact CE2-CD2 3.81Å; F15-L70 HydrophobicContact CZ-CD2 3.86Å; F15-C90 CarbonylContact C-O 3.5Å; F15-C90 VanDerWaalsContact CA-O 3.28Å; F15-C90 WeakPolarHBondContact CA-O 3.37Å; F15-C90 HydrophobicContact CD1-CB 3.92Å; F15-C90 HydrophobicContact CE1-CB 4.24Å; F15-C90 VanDerWaalsContact CE1-SG 3.52Å; F15-L92 HydrophobicContact CD1-CB 4.4Å; F15-L92 HydrophobicContact CD1-CD1 4.44Å; F15-L92 HydrophobicContact CE1-CD1 4.32Å; F15-A97 HydrophobicContact CE1-CB 4.22Å
16Y94Very high86.3Confident129 Ų12979.2 Ų79.251%0.50640%0.399SS..BIsolated β-bridgetrans-69.5150.3168.4-70.2-64.4000110.9C90 Y91Y16-C90 PolarHBondContact N-O 3.42Å; Y16-Y91 VanDerWaalsContact CB-CE1 3.45Å; Y16-Y91 HydrophobicContact CD2-CE1 4.1Å; Y16-Y91 HydrophobicContact CD2-CE2 4.1Å; Y16-Y91 AromaticContact CD2-CZ 3.79Å; Y16-Y91 HydrophobicContact CG-CE1 4.08Å
17K90.5Very high87.9Confident197 Ų19779.1 Ų79.186%0.85740%0.398SS*.  trans-90.7-14.3-172.3-65179.3-178172.10113.6
18D92.4Very high89.6Confident94 Ų9473.7 Ų73.750%0.50338%0.376SS..SBendtrans-73.6155.8-178-48.6-62.8000111.4P20 L23 Y91D18-P20 WeakPolarHBondContact O-CD 3.4Å; D18-L23 HydrophobicContact CB-CD1 3.58Å; D18-Y91 HydrophobicContact CB-CE1 4.39Å
19D92.5Very high90.4Very high49 Ų4975.2 Ų75.226%0.26238%0.381SS..  trans-81.4112.5-178.2-162.8-28.3000110.7E21 E22 L23 K93D19-E21 PolarHBondContact O-N 2.84Å; D19-E21 VanDerWaalsContact O-N 3.12Å; D19-E21 PolarHBondContact OD1-N 3.29Å; D19-E22 HydrophobicContact CB-CG 4.31Å; D19-E22 PolarHBondContact O-N 3.49Å; D19-E22 VanDerWaalsContact O-N 3.08Å; D19-L23 WeakPolarHBondContact O-CD1 3.33Å; D19-L23 PolarHBondContact O-N 2.86Å; D19-K93 IonicContact OD1-NZ 3.45Å; D19-K93 PolarHBondContact OD1-NZ 3.32Å; D19-K93 IonicContact OD2-NZ 3.46Å; D19-K93 PolarHBondContact OD2-NZ 3.35Å
20P94.5Very high90.9Very high0 Ų072.2 Ų72.20%036%0.36CS..Hα-helixtrans-66.3-18.1-174.528.4-35.9000113.8D18 E22 F24 Y91 K93 W98D18-P20 WeakPolarHBondContact O-CD 3.4Å; P20-E22 VanDerWaalsContact C-N 3.3Å; P20-F24 HydrophobicContact CB-CD2 4.21Å; P20-F24 HydrophobicContact CB-CE2 4.49Å; P20-F24 WeakPolarHBondContact O-CD2 3.5Å; P20-F24 PolarHBondContact O-N 3.24Å; P20-Y91 HydrophobicContact CB-CD1 4.43Å; P20-Y91 HydrophobicContact CB-CG 4.02Å; P20-K93 HydrophobicContact CG-CB 3.92Å; P20-W98 HydrophobicContact CB-CB 4.36Å; P20-W98 HydrophobicContact CB-CD2 3.77Å; P20-W98 HydrophobicContact CB-CE3 3.63Å; P20-W98 HydrophobicContact CB-CG 4.13Å; P20-W98 HydrophobicContact CB-CZ3 4.04Å; P20-W98 HydrophobicContact CG-CD2 3.84Å; P20-W98 HydrophobicContact CG-CE3 4.2Å; P20-W98 HydrophobicContact CG-CG 4.01Å; P20-W98 HydrophobicContact CG-CZ2 4.38Å
21E92.8Very high91.1Very high106 Ų10667 Ų6750%0.49534%0.342SS..Hα-helixtrans-71.3-26175.4-69.9-179.5160.400112.9D19 K93 W98D19-E21 PolarHBondContact O-N 2.84Å; D19-E21 VanDerWaalsContact O-N 3.12Å; D19-E21 PolarHBondContact OD1-N 3.29Å; E21-K93 IonicContact OE2-NZ 2.7Å; E21-K93 PolarHBondContact OE2-NZ 2.92Å; E21-W98 HydrophobicContact CG-CH2 3.88Å; E21-W98 HydrophobicContact CG-CZ2 3.94Å
22E91.8Very high91Very high149 Ų14969.5 Ų69.570%0.69635%0.353SS*.Hα-helixtrans-86-31176.3-62.5-176.9174.900111.4D19 P20D19-E22 HydrophobicContact CB-CG 4.31Å; D19-E22 PolarHBondContact O-N 3.49Å; D19-E22 VanDerWaalsContact O-N 3.08Å; P20-E22 VanDerWaalsContact C-N 3.3Å
23L94.6Very high90.1Very high23 Ų2369.3 Ų69.312%0.1235%0.354CS..Hα-helixtrans-79.8-31.3-177.9-82.894.3000114.2D18 D19 N43 A44 Y91D18-L23 HydrophobicContact CB-CD1 3.58Å; D19-L23 WeakPolarHBondContact O-CD1 3.33Å; D19-L23 PolarHBondContact O-N 2.86Å; L23-N43 CarbonylContact O-C 3.34Å; L23-N43 WeakPolarHBondContact O-CA 3.36Å; L23-A44 PolarHBondContact O-N 3.01Å; L23-Y91 HydrophobicContact CD2-CE1 4.26Å
24F96.8Very high88.7Confident8 Ų865.1 Ų65.14%0.03533%0.334CS..EExtended strand (participates in β ladder)trans-121.3122.4-170.7-60.3-70.4000112.1P20 L27 A41 T42 N43 V50 I52 Y91 V100P20-F24 HydrophobicContact CB-CD2 4.21Å; P20-F24 HydrophobicContact CB-CE2 4.49Å; P20-F24 WeakPolarHBondContact O-CD2 3.5Å; P20-F24 PolarHBondContact O-N 3.24Å; F24-L27 HydrophobicContact CB-CD1 4.25Å; F24-L27 WeakPolarHBondContact O-CD1 3.3Å; F24-A41 HydrophobicContact CB-CB 4.19Å; F24-T42 WeakPolarHBondContact CA-O 3.16Å; F24-N43 HydrophobicContact CD1-CB 4.26Å; F24-N43 HydrophobicContact CE1-CB 4.07Å; F24-V50 HydrophobicContact CD1-CG2 3.77Å; F24-V50 HydrophobicContact CE1-CG2 3.71Å; F24-I52 HydrophobicContact CB-CD1 3.6Å; F24-I52 HydrophobicContact CD1-CD1 3.8Å; F24-I52 HydrophobicContact CD2-CD1 3.72Å; F24-I52 HydrophobicContact CE1-CD1 4.41Å; F24-I52 HydrophobicContact CE2-CD1 4.34Å; F24-I52 HydrophobicContact CG-CD1 3.41Å; F24-I52 VanDerWaalsContact CG-CD1 3.41Å; F24-Y91 HydrophobicContact CE2-CD2 4.11Å; F24-Y91 AromaticContact CE2-CE2 3.79Å; F24-Y91 HydrophobicContact CE2-CE2 3.79Å; F24-Y91 HydrophobicContact CZ-CE2 4.02Å; F24-V100 HydrophobicContact CE1-CG1 4.08Å; F24-V100 HydrophobicContact CE2-CG2 3.77Å; F24-V100 HydrophobicContact CZ-CB 4.39Å; F24-V100 HydrophobicContact CZ-CG1 3.87Å; F24-V100 HydrophobicContact CZ-CG2 3.71Å
25I94.7Very high87.4Confident91 Ų9165 Ų6547%0.46733%0.333SS..EExtended strand (participates in β ladder)trans-118163.8-177.759.3170.6000111.6T42 A44I25-T42 WeakPolarHBondContact CG1-O 3.18Å; I25-T42 PolarHBondContact N-O 2.81Å; I25-T42 PolarHBondContact O-N 2.94Å; I25-A44 HydrophobicContact CD1-CB 4.34Å; I25-A44 HydrophobicContact CG1-CB 4.36Å; I25-A44 HydrophobicContact CG2-CB 4.3Å
26G92.3Very high86.5Confident41 Ų4165.7 Ų65.742%0.42334%0.344SS..EExtended strand (participates in β ladder)trans66.143175.600000113.6H28G26-H28 PolarHBondContact O-CD2 3.43Å; G26-H28 PolarHBondContact O-N 3.3Å
27L93.7Very high86.1Confident54 Ų5460.2 Ų60.228%0.28333%0.326SS..EExtended strand (participates in β ladder)trans-68.6119-177.6-85.369.2000111.3F24 Y39 F40 A41 K54 W98F24-L27 HydrophobicContact CB-CD1 4.25Å; F24-L27 WeakPolarHBondContact O-CD1 3.3Å; L27-Y39 HydrophobicContact CB-CD1 4.2Å; L27-Y39 HydrophobicContact CD2-CG 4.39Å; L27-F40 CarbonylContact C-O 3.56Å; L27-F40 VanDerWaalsContact CA-O 3.26Å; L27-F40 WeakPolarHBondContact CA-O 3.47Å; L27-A41 HydrophobicContact CD1-CB 3.84Å; L27-A41 HydrophobicContact CG-CB 4.1Å; L27-K54 VanDerWaalsContact CD2-CE 3.42Å; L27-W98 HydrophobicContact CD2-CH2 4.08Å; L27-W98 HydrophobicContact CD2-CZ3 3.93Å
28H91.8Very high86.2Confident98 Ų9852.5 Ų52.545%0.45430%0.295SS..EExtended strand (participates in β ladder)trans-125.6124.6174.3-62-64.7000110.3G26 I30 Y39 F40 F313G26-H28 PolarHBondContact O-CD2 3.43Å; G26-H28 PolarHBondContact O-N 3.3Å; H28-I30 PolarHBondContact O-N 3.49Å; H28-Y39 CarbonylContact O-C 3.56Å; H28-Y39 VanDerWaalsContact O-CA 3.25Å; H28-Y39 WeakPolarHBondContact O-CA 3.08Å; H28-F40 HydrophobicContact CB-CB 4.38Å; H28-F40 PolarHBondContact N-O 2.8Å; H28-F40 PolarHBondContact O-N 3.26Å; H28-F313 HydrophobicContact CB-CD2 4.21Å; H28-F313 HydrophobicContact CB-CE2 3.59Å; H28-F313 HydrophobicContact CB-CZ 4.1Å
29E90.5Very high86.3Confident100 Ų10050.5 Ų50.547%0.46728%0.281SS..EExtended strand (participates in β ladder)trans-65127-179.9-169.1178.6144.400110.8A37 Y39E29-A37 HydrophobicContact CG-CB 4.14Å; E29-Y39 HydrophobicContact CB-CD1 4.04Å; E29-Y39 HydrophobicContact CB-CE1 3.82Å; E29-Y39 HydrophobicContact CG-CE1 4.27Å
30I87.7Confident86.4Confident30 Ų3049 Ų4915%0.15427%0.272CS..EExtended strand (participates in β ladder)trans-117.2-13.5-179.557.8174.8000113H28 V38 F40 A51 Y103 K310 F313H28-I30 PolarHBondContact O-N 3.49Å; I30-V38 HydrophobicContact CD1-CG1 3.99Å; I30-V38 HydrophobicContact CG1-CB 4.19Å; I30-V38 HydrophobicContact CG1-CG1 3.93Å; I30-V38 VanDerWaalsContact CG1-O 3.31Å; I30-V38 WeakPolarHBondContact CG1-O 3.25Å; I30-V38 PolarHBondContact N-O 2.9Å; I30-F40 HydrophobicContact CG2-CB 3.78Å; I30-A51 HydrophobicContact CD1-CB 4.45Å; I30-Y103 HydrophobicContact CD1-CD2 4.12Å; I30-Y103 HydrophobicContact CD1-CE2 3.84Å; I30-K310 HydrophobicContact CB-CB 4.39Å; I30-K310 HydrophobicContact CB-CD 4.39Å; I30-K310 HydrophobicContact CG2-CB 4Å; I30-K310 VanDerWaalsContact O-CD 3.25Å; I30-K310 WeakPolarHBondContact O-CD 3.48Å; I30-K310 PolarHBondContact O-NZ 2.9Å; I30-F313 HydrophobicContact CG2-CD2 3.89Å; I30-F313 HydrophobicContact CG2-CE2 3.72Å
31G82.4Confident86.5Confident27 Ų2749 Ų4928%0.27827%0.272SS..EExtended strand (participates in β ladder)trans-170.6164.4174.200000111.7A37 V38G31-A37 WeakPolarHBondContact O-CA 3.21Å; G31-V38 PolarHBondContact N-O 2.86Å; G31-V38 PolarHBondContact O-N 3.06Å
32H78.8Confident86.6Confident86 Ų8644.7 Ų44.740%0.39825%0.253SS..EExtended strand (participates in β ladder)trans-139.9153.8172.473.875.9000110.3S356H32-S356 VanDerWaalsContact O-CB 3.31Å; H32-S356 WeakPolarHBondContact O-CB 3.35Å
33G66.6Low86.8Confident26 Ų2638.6 Ų38.627%0.26823%0.226SC..EExtended strand (participates in β ladder)trans-153.3-171.4173.900000110.9F35 G36G33-F35 PolarHBondContact O-N 3.5Å; G33-F35 VanDerWaalsContact O-N 3.16Å; G33-G36 PolarHBondContact N-O 3.46Å; G33-G36 PolarHBondContact O-N 3.05Å
34S58.3Low86.7Confident28 Ų2839.4 Ų39.420%0.19624%0.236CC..THydrogen-bonded Turntrans-63.6-21.7-174.5620000114.9G358S34-G358 WeakPolarHBondContact CB-O 3.34Å; S34-G358 PolarHBondContact OG-O 3.38Å
35F63.7Low86.5Confident12 Ų1245.9 Ų45.95%0.05327%0.265CS..THydrogen-bonded Turntrans-84.7-21.8174.8-57.8-49.1000114.1G33 M55 S56 Q360G33-F35 PolarHBondContact O-N 3.5Å; G33-F35 VanDerWaalsContact O-N 3.16Å; F35-M55 HydrophobicContact CB-CB 4.2Å; F35-M55 HydrophobicContact CB-CG 3.74Å; F35-M55 HydrophobicContact CB-SD 4.15Å; F35-M55 HydrophobicContact CG-SD 4.49Å; F35-M55 VanDerWaalsContact O-CA 3.32Å; F35-M55 WeakPolarHBondContact O-CA 3.22Å; F35-S56 PolarHBondContact O-N 3.3Å; F35-Q360 HydrophobicContact CD1-CG 4.15Å; F35-Q360 HydrophobicContact CE1-CB 4.37Å; F35-Q360 HydrophobicContact CE1-CG 3.02Å; F35-Q360 VanDerWaalsContact CE1-OE1 3.27Å; F35-Q360 HydrophobicContact CZ-CB 4.24Å; F35-Q360 HydrophobicContact CZ-CG 3.23Å
36G75.7Confident86.5Confident31 Ų3145.5 Ų45.532%0.3227%0.268SS..EExtended strand (participates in β ladder)trans139.3-159.2-174.800000111.7G33 K54G33-G36 PolarHBondContact N-O 3.46Å; G33-G36 PolarHBondContact O-N 3.05Å; G36-K54 WeakPolarHBondContact CA-O 3.09Å
37A87.2Confident86.5Confident14 Ų1448 Ų4812%0.11627%0.271CS..EExtended strand (participates in β ladder)trans-102.4148-172.400000112.2E29 G31 Y39 K54E29-A37 HydrophobicContact CG-CB 4.14Å; G31-A37 WeakPolarHBondContact O-CA 3.21Å; A37-Y39 HydrophobicContact CB-CD2 4.35Å; A37-Y39 HydrophobicContact CB-CE2 3.46Å; A37-Y39 VanDerWaalsContact CB-CE2 3.46Å; A37-Y39 WeakPolarHBondContact CB-OH 3.21Å; A37-Y39 WeakPolarHBondContact O-CE2 3.32Å; A37-K54 PolarHBondContact O-N 3.16Å
38V91.9Very high86.5Confident35 Ų3549.2 Ų49.221%0.21228%0.276CS..EExtended strand (participates in β ladder)trans-103.6131.1173.4-171.20000108.1I30 G31 A51 I52 K53I30-V38 HydrophobicContact CD1-CG1 3.99Å; I30-V38 HydrophobicContact CG1-CB 4.19Å; I30-V38 HydrophobicContact CG1-CG1 3.93Å; I30-V38 VanDerWaalsContact CG1-O 3.31Å; I30-V38 WeakPolarHBondContact CG1-O 3.25Å; I30-V38 PolarHBondContact N-O 2.9Å; G31-V38 PolarHBondContact N-O 2.86Å; G31-V38 PolarHBondContact O-N 3.06Å; V38-A51 HydrophobicContact CG1-CB 4.44Å; V38-I52 CarbonylContact C-O 3.49Å; V38-I52 WeakPolarHBondContact CA-O 3.41Å; V38-K53 HydrophobicContact CG2-CB 4.12Å; V38-K53 HydrophobicContact CG2-CG 4.05Å
39Y94.6Very high86.7Confident53 Ų5346.2 Ų46.221%0.20826%0.264CS..EExtended strand (participates in β ladder)trans-119.7138.2-176.1-61.8-92.2000110.9L27 H28 E29 A37 A51 I52 K54L27-Y39 HydrophobicContact CB-CD1 4.2Å; L27-Y39 HydrophobicContact CD2-CG 4.39Å; H28-Y39 CarbonylContact O-C 3.56Å; H28-Y39 VanDerWaalsContact O-CA 3.25Å; H28-Y39 WeakPolarHBondContact O-CA 3.08Å; E29-Y39 HydrophobicContact CB-CD1 4.04Å; E29-Y39 HydrophobicContact CB-CE1 3.82Å; E29-Y39 HydrophobicContact CG-CE1 4.27Å; A37-Y39 HydrophobicContact CB-CD2 4.35Å; A37-Y39 HydrophobicContact CB-CE2 3.46Å; A37-Y39 VanDerWaalsContact CB-CE2 3.46Å; A37-Y39 WeakPolarHBondContact CB-OH 3.21Å; A37-Y39 WeakPolarHBondContact O-CE2 3.32Å; Y39-A51 CarbonylContact O-C 3.48Å; Y39-A51 WeakPolarHBondContact O-CA 3.38Å; Y39-I52 PolarHBondContact N-O 2.88Å; Y39-I52 PolarHBondContact O-N 2.93Å; Y39-K54 HydrophobicContact CD2-CD 4.05Å; Y39-K54 HydrophobicContact CD2-CG 3.99Å; Y39-K54 HydrophobicContact CE2-CB 4.2Å; Y39-K54 HydrophobicContact CE2-CD 3.77Å; Y39-K54 HydrophobicContact CE2-CG 3.97Å
40F95Very high87Confident17 Ų1741.5 Ų41.58%0.07524%0.242CC..EExtended strand (participates in β ladder)trans-66.5137.1153171.6-80.5000108.2L27 H28 I30 V49 Y103 F313 Q314L27-F40 CarbonylContact C-O 3.56Å; L27-F40 VanDerWaalsContact CA-O 3.26Å; L27-F40 WeakPolarHBondContact CA-O 3.47Å; H28-F40 HydrophobicContact CB-CB 4.38Å; H28-F40 PolarHBondContact N-O 2.8Å; H28-F40 PolarHBondContact O-N 3.26Å; I30-F40 HydrophobicContact CG2-CB 3.78Å; F40-V49 HydrophobicContact CD2-CG1 3.69Å; F40-V49 HydrophobicContact CE2-CB 4.39Å; F40-V49 HydrophobicContact CE2-CG1 3.16Å; F40-V49 HydrophobicContact CE2-CG2 4.33Å; F40-V49 HydrophobicContact CZ-CG1 3.65Å; F40-V49 HydrophobicContact CZ-CG2 4.1Å; F40-Y103 HydrophobicContact CB-CE2 4.21Å; F40-Y103 HydrophobicContact CD2-CD1 4.45Å; F40-Y103 AromaticContact CD2-CD2 3.84Å; F40-Y103 HydrophobicContact CD2-CD2 3.84Å; F40-Y103 HydrophobicContact CD2-CE1 4.16Å; F40-Y103 AromaticContact CD2-CE2 3.54Å; F40-Y103 HydrophobicContact CD2-CE2 3.54Å; F40-Y103 HydrophobicContact CD2-CG 4.28Å; F40-Y103 AromaticContact CD2-CZ 3.69Å; F40-Y103 HydrophobicContact CE2-CE1 4.3Å; F40-Y103 HydrophobicContact CE2-CE2 4.45Å; F40-Y103 HydrophobicContact CG-CE2 4.37Å; F40-F313 HydrophobicContact CB-CD2 4.04Å; F40-F313 HydrophobicContact CD2-CB 4.02Å; F40-F313 HydrophobicContact CD2-CD2 4.31Å; F40-F313 HydrophobicContact CE2-CB 3.95Å; F40-F313 HydrophobicContact CG-CB 4.49Å; F40-F313 HydrophobicContact CG-CD2 4.12Å; F40-F313 HydrophobicContact CZ-CB 4.42Å; F40-Q314 HydrophobicContact CE2-CG 4.38Å
41A95.6Very high87.4Confident0 Ų040.5 Ų40.50%024%0.238CC..EExtended strand (participates in β ladder)trans-150.4163.5171.800000110.8F24 L27 V49 V50 I52F24-A41 HydrophobicContact CB-CB 4.19Å; L27-A41 HydrophobicContact CD1-CB 3.84Å; L27-A41 HydrophobicContact CG-CB 4.1Å; A41-V49 WeakPolarHBondContact O-CA 3.41Å; A41-V50 HydrophobicContact CB-CG2 4.2Å; A41-V50 PolarHBondContact N-O 3.47Å; A41-V50 PolarHBondContact O-N 3.48Å; A41-I52 HydrophobicContact CB-CD1 3.54Å; A41-I52 HydrophobicContact CB-CG1 4.1Å
42T95.5Very high88.1Confident16 Ų1639.2 Ų39.210%0.09823%0.225CC..EExtended strand (participates in β ladder)trans-113.5132.3171.1-57.50000109.4F24 I25 A44 E48F24-T42 WeakPolarHBondContact CA-O 3.16Å; I25-T42 WeakPolarHBondContact CG1-O 3.18Å; I25-T42 PolarHBondContact N-O 2.81Å; I25-T42 PolarHBondContact O-N 2.94Å; T42-A44 PolarHBondContact O-N 3.23Å; T42-E48 WeakPolarHBondContact CA-O 3.47Å
43N94.9Very high88.8Confident21 Ų2136 Ų3611%0.11221%0.21CC..EExtended strand (participates in β ladder)trans-67.8119.7169.2-177.1-45000109L23 F24 H45 T46 N47 E48L23-N43 CarbonylContact O-C 3.34Å; L23-N43 WeakPolarHBondContact O-CA 3.36Å; F24-N43 HydrophobicContact CD1-CB 4.26Å; F24-N43 HydrophobicContact CE1-CB 4.07Å; N43-H45 PolarHBondContact O-N 2.9Å; N43-H45 WeakPolarHBondContact OD1-CB 3.28Å; N43-H45 PolarHBondContact OD1-N 3.39Å; N43-T46 WeakPolarHBondContact CB-OG1 3.13Å; N43-T46 VanDerWaalsContact CG-OG1 3.29Å; N43-T46 PolarHBondContact OD1-N 3.41Å; N43-N47 VanDerWaalsContact O-CA 3.29Å; N43-N47 WeakPolarHBondContact O-CA 3.49Å; N43-N47 PolarHBondContact O-N 2.82Å; N43-E48 PolarHBondContact N-O 2.95Å
44A93.3Very high90.1Very high40 Ų4036.8 Ų36.833%0.33121%0.206SC..THydrogen-bonded Turntrans-62.8-24.8-174.900000113.2L23 I25 T42L23-A44 PolarHBondContact O-N 3.01Å; I25-A44 HydrophobicContact CD1-CB 4.34Å; I25-A44 HydrophobicContact CG1-CB 4.36Å; I25-A44 HydrophobicContact CG2-CB 4.3Å; T42-A44 PolarHBondContact O-N 3.23Å
45H92.6Very high91.7Very high143 Ų14335.6 Ų35.666%0.66220%0.197SC*.THydrogen-bonded Turntrans-91.4-45.4-178.7-57.4-58000112.7N43N43-H45 PolarHBondContact O-N 2.9Å; N43-H45 WeakPolarHBondContact OD1-CB 3.28Å; N43-H45 PolarHBondContact OD1-N 3.39Å
46T93.8Very high93Very high84 Ų8436.9 Ų36.952%0.51521%0.207SC..THydrogen-bonded Turntrans-94.1-10.9-174640000113.4N43 E48N43-T46 WeakPolarHBondContact CB-OG1 3.13Å; N43-T46 VanDerWaalsContact CG-OG1 3.29Å; N43-T46 PolarHBondContact OD1-N 3.41Å; T46-E48 PolarHBondContact O-N 3.18Å; T46-E48 VanDerWaalsContact O-N 3.11Å; T46-E48 WeakPolarHBondContact OG1-CB 3.4Å; T46-E48 PolarHBondContact OG1-N 3.13Å
47N92.3Very high93.6Very high92 Ų9236.7 Ų36.749%0.49220%0.197SC..  trans58.410.3-167.9-75.1-60.3000114.7N43 R317N43-N47 VanDerWaalsContact O-CA 3.29Å; N43-N47 WeakPolarHBondContact O-CA 3.49Å; N43-N47 PolarHBondContact O-N 2.82Å; N47-R317 PolarHBondContact O-NH1 2.71Å; N47-R317 PolarHBondContact OD1-NH2 3.18Å
48E94.2Very high93.4Very high81 Ų8138.9 Ų38.938%0.37921%0.212SC..  trans-71134.6177.5-172.9-177.9-174.300110.5T42 N43 T46 V50 K88T42-E48 WeakPolarHBondContact CA-O 3.47Å; N43-E48 PolarHBondContact N-O 2.95Å; T46-E48 PolarHBondContact O-N 3.18Å; T46-E48 VanDerWaalsContact O-N 3.11Å; T46-E48 WeakPolarHBondContact OG1-CB 3.4Å; T46-E48 PolarHBondContact OG1-N 3.13Å; E48-V50 HydrophobicContact CG-CG1 4.28Å; E48-K88 WeakPolarHBondContact OE1-CE 3.3Å; E48-K88 IonicContact OE1-NZ 2.72Å; E48-K88 PolarHBondContact OE1-NZ 3.38Å
49V95.3Very high92.9Very high34 Ų3440 Ų4021%0.20623%0.231CC..EExtended strand (participates in β ladder)trans-84.2129.9173.7175.90000109.4F40 A41 Y103F40-V49 HydrophobicContact CD2-CG1 3.69Å; F40-V49 HydrophobicContact CE2-CB 4.39Å; F40-V49 HydrophobicContact CE2-CG1 3.16Å; F40-V49 HydrophobicContact CE2-CG2 4.33Å; F40-V49 HydrophobicContact CZ-CG1 3.65Å; F40-V49 HydrophobicContact CZ-CG2 4.1Å; A41-V49 WeakPolarHBondContact O-CA 3.41Å; V49-Y103 HydrophobicContact CG1-CD1 3.87Å; V49-Y103 HydrophobicContact CG1-CD2 4.48Å; V49-Y103 HydrophobicContact CG1-CG 3.78Å
50V96.8Very high91.9Very high2 Ų248.2 Ų48.21%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-132.3158.9-176.2-62.90000111.6F24 A41 E48 I52 K88 V100 M101F24-V50 HydrophobicContact CD1-CG2 3.77Å; F24-V50 HydrophobicContact CE1-CG2 3.71Å; A41-V50 HydrophobicContact CB-CG2 4.2Å; A41-V50 PolarHBondContact N-O 3.47Å; A41-V50 PolarHBondContact O-N 3.48Å; E48-V50 HydrophobicContact CG-CG1 4.28Å; V50-I52 HydrophobicContact CG2-CD1 4.26Å; V50-I52 HydrophobicContact CG2-CG1 4.02Å; V50-K88 HydrophobicContact CG1-CD 4Å; V50-V100 HydrophobicContact CB-CG1 3.81Å; V50-V100 HydrophobicContact CG1-CG1 4.05Å; V50-V100 HydrophobicContact CG2-CG1 3.92Å; V50-M101 WeakPolarHBondContact CB-O 3.43Å
51A96.8Very high91Very high8 Ų851 Ų517%0.06628%0.281CS..EExtended strand (participates in β ladder)trans-100.3133.7166.100000109.7I30 V38 Y39 V100 M101 Y103I30-A51 HydrophobicContact CD1-CB 4.45Å; V38-A51 HydrophobicContact CG1-CB 4.44Å; Y39-A51 CarbonylContact O-C 3.48Å; Y39-A51 WeakPolarHBondContact O-CA 3.38Å; A51-V100 CarbonylContact O-C 3.57Å; A51-V100 WeakPolarHBondContact O-CA 3.31Å; A51-M101 PolarHBondContact N-O 3.48Å; A51-M101 PolarHBondContact O-N 3.36Å; A51-Y103 HydrophobicContact CB-CD2 4.45Å
52I96.6Very high90.4Very high0 Ų054.1 Ų54.10%030%0.3CS..EExtended strand (participates in β ladder)trans-122109.8-179.3-53.8-177.3000109.4F24 V38 Y39 A41 V50 K54 W98 L99 V100F24-I52 HydrophobicContact CB-CD1 3.6Å; F24-I52 HydrophobicContact CD1-CD1 3.8Å; F24-I52 HydrophobicContact CD2-CD1 3.72Å; F24-I52 HydrophobicContact CE1-CD1 4.41Å; F24-I52 HydrophobicContact CE2-CD1 4.34Å; F24-I52 HydrophobicContact CG-CD1 3.41Å; F24-I52 VanDerWaalsContact CG-CD1 3.41Å; V38-I52 CarbonylContact C-O 3.49Å; V38-I52 WeakPolarHBondContact CA-O 3.41Å; Y39-I52 PolarHBondContact N-O 2.88Å; Y39-I52 PolarHBondContact O-N 2.93Å; A41-I52 HydrophobicContact CB-CD1 3.54Å; A41-I52 HydrophobicContact CB-CG1 4.1Å; V50-I52 HydrophobicContact CG2-CD1 4.26Å; V50-I52 HydrophobicContact CG2-CG1 4.02Å; I52-K54 HydrophobicContact CG2-CG 4.14Å; I52-W98 HydrophobicContact CD1-CE3 4.15Å; I52-W98 HydrophobicContact CD1-CZ3 4.41Å; I52-W98 HydrophobicContact CG2-CB 3.94Å; I52-W98 HydrophobicContact CG2-CD2 4.18Å; I52-W98 HydrophobicContact CG2-CE3 3.72Å; I52-W98 HydrophobicContact CG2-CG 4.31Å; I52-L99 CarbonylContact C-O 3.58Å; I52-L99 WeakPolarHBondContact CA-O 3.38Å; I52-V100 HydrophobicContact CG1-CG1 4.48Å; I52-V100 HydrophobicContact CG1-CG2 4.29Å
53K94.8Very high89.7Confident19 Ų1959.8 Ų59.88%0.08333%0.325CS..EExtended strand (participates in β ladder)trans-86.8107.7171.2-177.5175.4177.4-172.20108.7V38 M55 E72 L99 M101 D165V38-K53 HydrophobicContact CG2-CB 4.12Å; V38-K53 HydrophobicContact CG2-CG 4.05Å; K53-M55 HydrophobicContact CD-CG 4.49Å; K53-M55 HydrophobicContact CD-SD 4.18Å; K53-M55 HydrophobicContact CG-CG 3.94Å; K53-M55 HydrophobicContact CG-SD 4.24Å; K53-E72 VanDerWaalsContact NZ-CD 3.27Å; K53-E72 IonicContact NZ-OE1 2.81Å; K53-E72 PolarHBondContact NZ-OE1 3.46Å; K53-E72 IonicContact NZ-OE2 2.71Å; K53-E72 PolarHBondContact NZ-OE2 3.17Å; K53-L99 HydrophobicContact CB-CB 4.27Å; K53-L99 HydrophobicContact CB-CD2 4.36Å; K53-L99 HydrophobicContact CD-CD2 4.25Å; K53-L99 PolarHBondContact N-O 2.92Å; K53-L99 PolarHBondContact O-N 2.93Å; K53-M101 HydrophobicContact CB-CE 3.99Å; K53-D165 IonicContact NZ-OD1 3.46Å; K53-D165 PolarHBondContact NZ-OD1 2.86Å
54K93.9Very high88.9Confident43 Ų4361.4 Ų61.419%0.18733%0.332CS..EExtended strand (participates in β ladder)trans-88118.5176.6-67.1-167.6-172-173.40109.9L27 G36 A37 Y39 I52 T96 A97 W98L27-K54 VanDerWaalsContact CD2-CE 3.42Å; G36-K54 WeakPolarHBondContact CA-O 3.09Å; A37-K54 PolarHBondContact O-N 3.16Å; Y39-K54 HydrophobicContact CD2-CD 4.05Å; Y39-K54 HydrophobicContact CD2-CG 3.99Å; Y39-K54 HydrophobicContact CE2-CB 4.2Å; Y39-K54 HydrophobicContact CE2-CD 3.77Å; Y39-K54 HydrophobicContact CE2-CG 3.97Å; I52-K54 HydrophobicContact CG2-CG 4.14Å; K54-T96 HydrophobicContact CB-CG2 3.97Å; K54-A97 CarbonylContact C-O 3.52Å; K54-A97 WeakPolarHBondContact CA-O 3.46Å; K54-W98 HydrophobicContact CD-CD2 4.11Å; K54-W98 HydrophobicContact CD-CZ2 4.06Å; K54-W98 VanDerWaalsContact CE-CE2 3.45Å; K54-W98 HydrophobicContact CG-CD2 4.06Å; K54-W98 HydrophobicContact CG-CG 4.19Å
55M91.9Very high88.4Confident2 Ų261.5 Ų61.51%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-117.5108.9-175.7-58.1-177.9-75.900110.6F35 K53 I69 T96 A97 L99F35-M55 HydrophobicContact CB-CB 4.2Å; F35-M55 HydrophobicContact CB-CG 3.74Å; F35-M55 HydrophobicContact CB-SD 4.15Å; F35-M55 HydrophobicContact CG-SD 4.49Å; F35-M55 VanDerWaalsContact O-CA 3.32Å; F35-M55 WeakPolarHBondContact O-CA 3.22Å; K53-M55 HydrophobicContact CD-CG 4.49Å; K53-M55 HydrophobicContact CD-SD 4.18Å; K53-M55 HydrophobicContact CG-CG 3.94Å; K53-M55 HydrophobicContact CG-SD 4.24Å; M55-I69 HydrophobicContact CB-CD1 3.72Å; M55-I69 HydrophobicContact CB-CG1 3.78Å; M55-I69 HydrophobicContact CE-CG1 4.1Å; M55-I69 HydrophobicContact CE-CG2 4.13Å; M55-I69 HydrophobicContact SD-CG1 4.04Å; M55-T96 WeakPolarHBondContact O-CA 3.32Å; M55-A97 HydrophobicContact CE-CB 4.47Å; M55-A97 PolarHBondContact N-O 2.95Å; M55-A97 PolarHBondContact O-N 3.48Å; M55-L99 HydrophobicContact CE-CB 3.76Å; M55-L99 HydrophobicContact CE-CD2 4.16Å; M55-L99 HydrophobicContact CE-CG 4.48Å
56S90.1Very high88.3Confident39 Ų3956.2 Ų56.227%0.27330%0.299SS..EExtended strand (participates in β ladder)trans-86.3125.6-178.7-172.90000111F35 S58 K65F35-S56 PolarHBondContact O-N 3.3Å; S56-S58 PolarHBondContact OG-OG 2.93Å; S56-K65 VanDerWaalsContact O-CD 3.25Å; S56-K65 WeakPolarHBondContact O-CD 3.05Å
57Y89Confident87.9Confident28 Ų2855.7 Ų55.711%0.1129%0.291CS..  trans-109.427.4176.259.8-85.4000112.6T62 W66 I69 L92 H95Y57-T62 VanDerWaalsContact O-CA 3.32Å; Y57-T62 WeakPolarHBondContact O-CA 3.23Å; Y57-T62 WeakPolarHBondContact O-CB 3.47Å; Y57-T62 PolarHBondContact O-OG1 2.89Å; Y57-W66 AromaticContact CD1-CE3 3.67Å; Y57-W66 HydrophobicContact CD1-CE3 3.67Å; Y57-W66 AromaticContact CD1-CZ3 3.89Å; Y57-W66 HydrophobicContact CD1-CZ3 3.89Å; Y57-W66 HydrophobicContact CD2-CD2 4.42Å; Y57-W66 AromaticContact CD2-CE3 3.88Å; Y57-W66 HydrophobicContact CD2-CE3 3.88Å; Y57-W66 AromaticContact CE1-CE3 3.79Å; Y57-W66 HydrophobicContact CE1-CE3 3.79Å; Y57-W66 AromaticContact CE1-CZ3 3.57Å; Y57-W66 HydrophobicContact CE1-CZ3 3.57Å; Y57-W66 AromaticContact CE2-CE3 3.98Å; Y57-W66 HydrophobicContact CE2-CE3 3.98Å; Y57-W66 HydrophobicContact CE2-CZ3 4.24Å; Y57-W66 AromaticContact CG-CE3 3.72Å; Y57-W66 HydrophobicContact CG-CE3 3.72Å; Y57-W66 HydrophobicContact CG-CZ3 4.36Å; Y57-W66 AromaticContact CZ-CE3 3.93Å; Y57-W66 AromaticContact CZ-CZ3 3.75Å; Y57-I69 HydrophobicContact CD1-CD1 3.83Å; Y57-I69 HydrophobicContact CG-CD1 4.29Å; Y57-L92 HydrophobicContact CE1-CD1 3.61Å; Y57-L92 WeakPolarHBondContact OH-CD1 3.49Å; Y57-H95 WeakPolarHBondContact CD1-O 3.49Å; Y57-H95 HydrophobicContact CD2-CB 4.43Å; Y57-H95 HydrophobicContact CE1-CB 4.46Å; Y57-H95 WeakPolarHBondContact CE1-O 3.42Å; Y57-H95 HydrophobicContact CE2-CB 4.1Å; Y57-H95 AromaticContact CE2-CD2 3.83Å; Y57-H95 PolarHBondContact N-O 2.93Å; Y57-H95 WeakPolarHBondContact OH-CA 3.24Å
58S83.4Confident87.5Confident60 Ų6051.6 Ų51.642%0.4227%0.269SS..  trans-83.5164.317370.40000112.5S56S56-S58 PolarHBondContact OG-OG 2.93Å
59G81Confident87.4Confident59 Ų5947.9 Ų47.961%0.60825%0.252SS*.SBendtrans90.4-168.1173.200000115.7Q61 T62G59-Q61 PolarHBondContact O-N 3.01Å; G59-Q61 VanDerWaalsContact O-N 3.16Å; G59-T62 WeakPolarHBondContact O-CB 3.23Å; G59-T62 PolarHBondContact O-N 3.48Å
60K73.5Confident87.2Confident224 Ų22446.6 Ų46.697%0.97424%0.243SC*.THydrogen-bonded Turntrans-62.5-22.3-172.2-68-176.8179.7178.40114.5
61Q76.6Confident86.7Confident76 Ų7649.4 Ų49.436%0.35526%0.255SS..THydrogen-bonded Turntrans-104.922.9-179.7-67.5178.3-8.700113G59 H63 E64 K65G59-Q61 PolarHBondContact O-N 3.01Å; G59-Q61 VanDerWaalsContact O-N 3.16Å; Q61-H63 VanDerWaalsContact C-N 3.31Å; Q61-H63 PolarHBondContact O-N 3.45Å; Q61-E64 PolarHBondContact O-N 3.41Å; Q61-K65 HydrophobicContact CB-CG 4.46Å; Q61-K65 WeakPolarHBondContact O-CG 3.47Å; Q61-K65 PolarHBondContact O-N 2.95Å; Q61-K65 VanDerWaalsContact O-N 3.12Å
62T83.3Confident86.5Confident65 Ų6549.2 Ų49.240%0.39925%0.253SS..Hα-helixtrans-51.2-44.7-174.4-176.10000113.9Y57 G59 W66Y57-T62 VanDerWaalsContact O-CA 3.32Å; Y57-T62 WeakPolarHBondContact O-CA 3.23Å; Y57-T62 WeakPolarHBondContact O-CB 3.47Å; Y57-T62 PolarHBondContact O-OG1 2.89Å; G59-T62 WeakPolarHBondContact O-CB 3.23Å; G59-T62 PolarHBondContact O-N 3.48Å; T62-W66 VanDerWaalsContact O-CB 3.24Å; T62-W66 WeakPolarHBondContact O-CB 3.27Å; T62-W66 PolarHBondContact O-N 3.38Å
63H79.3Confident86.3Confident136 Ų13649.2 Ų49.263%0.6325%0.253SS*.Hα-helixtrans-66.6-43.5-176-173.273.5000112.7Q61 W66 Q67Q61-H63 VanDerWaalsContact C-N 3.31Å; Q61-H63 PolarHBondContact O-N 3.45Å; H63-W66 PolarHBondContact O-N 2.9Å; H63-Q67 WeakPolarHBondContact O-CG 3.42Å; H63-Q67 PolarHBondContact O-N 2.99Å
64E77.9Confident86.2Confident54 Ų5452.5 Ų52.525%0.25227%0.267SS..Hα-helixtrans-65.9-49.1178.6-177.5169.4-151.600111Q61 W66 Q67 D68Q61-E64 PolarHBondContact O-N 3.41Å; E64-W66 VanDerWaalsContact C-N 3.28Å; E64-W66 PolarHBondContact O-N 3.35Å; E64-Q67 PolarHBondContact O-N 2.89Å; E64-D68 PolarHBondContact O-N 3.4Å; E64-D68 VanDerWaalsContact O-N 3.13Å
65K83.9Confident86.2Confident43 Ų4350.6 Ų50.619%0.18726%0.259CS..Hα-helixtrans-58-41.7177.3-69.1-171.6175.9-1730112.4S56 Q61 D68 I69S56-K65 VanDerWaalsContact O-CD 3.25Å; S56-K65 WeakPolarHBondContact O-CD 3.05Å; Q61-K65 HydrophobicContact CB-CG 4.46Å; Q61-K65 WeakPolarHBondContact O-CG 3.47Å; Q61-K65 PolarHBondContact O-N 2.95Å; Q61-K65 VanDerWaalsContact O-N 3.12Å; K65-D68 PolarHBondContact O-N 3.01Å; K65-I69 VanDerWaalsContact O-CG1 3.26Å; K65-I69 WeakPolarHBondContact O-CG1 3.44Å; K65-I69 PolarHBondContact O-N 3.18Å
66W89.7Confident86.3Confident31 Ų3150.6 Ų50.612%0.11726%0.259CS..Hα-helixtrans-64.5-45.3177.7-177-117.6000112.1L6 I11 F15 Y57 T62 H63 E64 D68 I69 L70 L92L6-W66 HydrophobicContact CD2-CZ2 4Å; I11-W66 HydrophobicContact CG2-CZ2 3.71Å; F15-W66 HydrophobicContact CD2-CH2 4.45Å; F15-W66 HydrophobicContact CE1-CH2 4.21Å; F15-W66 HydrophobicContact CE1-CZ3 4.49Å; F15-W66 AromaticContact CE2-CH2 3.49Å; F15-W66 HydrophobicContact CE2-CH2 3.49Å; F15-W66 VanDerWaalsContact CE2-CH2 3.49Å; F15-W66 AromaticContact CE2-CZ2 3.94Å; F15-W66 HydrophobicContact CE2-CZ2 3.94Å; F15-W66 HydrophobicContact CE2-CZ3 4.45Å; F15-W66 AromaticContact CZ-CH2 3.34Å; F15-W66 HydrophobicContact CZ-CH2 3.34Å; F15-W66 HydrophobicContact CZ-CZ2 4.11Å; F15-W66 AromaticContact CZ-CZ3 3.87Å; F15-W66 HydrophobicContact CZ-CZ3 3.87Å; Y57-W66 AromaticContact CD1-CE3 3.67Å; Y57-W66 HydrophobicContact CD1-CE3 3.67Å; Y57-W66 AromaticContact CD1-CZ3 3.89Å; Y57-W66 HydrophobicContact CD1-CZ3 3.89Å; Y57-W66 HydrophobicContact CD2-CD2 4.42Å; Y57-W66 AromaticContact CD2-CE3 3.88Å; Y57-W66 HydrophobicContact CD2-CE3 3.88Å; Y57-W66 AromaticContact CE1-CE3 3.79Å; Y57-W66 HydrophobicContact CE1-CE3 3.79Å; Y57-W66 AromaticContact CE1-CZ3 3.57Å; Y57-W66 HydrophobicContact CE1-CZ3 3.57Å; Y57-W66 AromaticContact CE2-CE3 3.98Å; Y57-W66 HydrophobicContact CE2-CE3 3.98Å; Y57-W66 HydrophobicContact CE2-CZ3 4.24Å; Y57-W66 AromaticContact CG-CE3 3.72Å; Y57-W66 HydrophobicContact CG-CE3 3.72Å; Y57-W66 HydrophobicContact CG-CZ3 4.36Å; Y57-W66 AromaticContact CZ-CE3 3.93Å; Y57-W66 AromaticContact CZ-CZ3 3.75Å; T62-W66 VanDerWaalsContact O-CB 3.24Å; T62-W66 WeakPolarHBondContact O-CB 3.27Å; T62-W66 PolarHBondContact O-N 3.38Å; H63-W66 PolarHBondContact O-N 2.9Å; E64-W66 VanDerWaalsContact C-N 3.28Å; E64-W66 PolarHBondContact O-N 3.35Å; W66-D68 VanDerWaalsContact C-N 3.28Å; W66-D68 PolarHBondContact O-N 2.9Å; W66-I69 HydrophobicContact CE3-CD1 4.31Å; W66-I69 HydrophobicContact CE3-CG2 4.46Å; W66-I69 HydrophobicContact CZ3-CG2 4.31Å; W66-I69 PolarHBondContact O-N 3.03Å; W66-L70 HydrophobicContact CD2-CG 4.4Å; W66-L70 HydrophobicContact CH2-CD2 4.33Å; W66-L70 HydrophobicContact CZ2-CD2 3.84Å; W66-L70 HydrophobicContact CZ2-CG 4.34Å; W66-L70 WeakPolarHBondContact O-CG 3.44Å; W66-L70 PolarHBondContact O-N 3.39Å; W66-L92 HydrophobicContact CH2-CD1 4.03Å; W66-L92 HydrophobicContact CH2-CD2 4.28Å; W66-L92 HydrophobicContact CZ3-CD1 3.87Å
67Q86.9Confident86.4Confident74 Ų7455.3 Ų55.335%0.34627%0.271SS..Hα-helixtrans-59.9-39.3178.8-76-60.8-28.600112.6H63 E64 L70 K71H63-Q67 WeakPolarHBondContact O-CG 3.42Å; H63-Q67 PolarHBondContact O-N 2.99Å; E64-Q67 PolarHBondContact O-N 2.89Å; Q67-L70 PolarHBondContact O-N 2.89Å; Q67-K71 WeakPolarHBondContact O-CG 3.29Å; Q67-K71 PolarHBondContact O-N 3.01Å
68D83.8Confident86.6Confident6 Ų658.1 Ų58.13%0.03229%0.285CS..Hα-helixtrans-79.5-30-179-63.4-31.2000112.9E64 K65 W66 L70 K71 E72 Q360E64-D68 PolarHBondContact O-N 3.4Å; E64-D68 VanDerWaalsContact O-N 3.13Å; K65-D68 PolarHBondContact O-N 3.01Å; W66-D68 VanDerWaalsContact C-N 3.28Å; W66-D68 PolarHBondContact O-N 2.9Å; D68-L70 VanDerWaalsContact C-N 3.28Å; D68-L70 PolarHBondContact O-N 3.43Å; D68-K71 PolarHBondContact O-N 3.35Å; D68-K71 IonicContact OD1-NZ 2.81Å; D68-K71 PolarHBondContact OD1-NZ 2.83Å; D68-E72 WeakPolarHBondContact O-CB 3.31Å; D68-E72 PolarHBondContact O-N 3.42Å; D68-Q360 WeakPolarHBondContact OD2-CB 3.28Å; D68-Q360 VanDerWaalsContact OD2-CG 3.28Å; D68-Q360 WeakPolarHBondContact OD2-CG 3.49Å; D68-Q360 PolarHBondContact OD2-NE2 3.09Å; D68-Q360 PolarHBondContact OD2-OE1 3.44Å
69I90.3Very high87.2Confident3 Ų356.3 Ų56.32%0.01527%0.27CS..Hα-helixtrans-55.9-47.8165.1-71.5166.2000109.7F15 M55 Y57 K65 W66 K71 E72 V73 A97F15-I69 HydrophobicContact CE1-CG2 4.44Å; F15-I69 HydrophobicContact CZ-CG2 4.35Å; M55-I69 HydrophobicContact CB-CD1 3.72Å; M55-I69 HydrophobicContact CB-CG1 3.78Å; M55-I69 HydrophobicContact CE-CG1 4.1Å; M55-I69 HydrophobicContact CE-CG2 4.13Å; M55-I69 HydrophobicContact SD-CG1 4.04Å; Y57-I69 HydrophobicContact CD1-CD1 3.83Å; Y57-I69 HydrophobicContact CG-CD1 4.29Å; K65-I69 VanDerWaalsContact O-CG1 3.26Å; K65-I69 WeakPolarHBondContact O-CG1 3.44Å; K65-I69 PolarHBondContact O-N 3.18Å; W66-I69 HydrophobicContact CE3-CD1 4.31Å; W66-I69 HydrophobicContact CE3-CG2 4.46Å; W66-I69 HydrophobicContact CZ3-CG2 4.31Å; W66-I69 PolarHBondContact O-N 3.03Å; I69-K71 VanDerWaalsContact C-N 3.35Å; I69-K71 PolarHBondContact O-N 3.05Å; I69-E72 PolarHBondContact O-N 2.86Å; I69-V73 HydrophobicContact CG2-CG2 4.35Å; I69-V73 VanDerWaalsContact O-CG2 3.27Å; I69-V73 WeakPolarHBondContact O-CG2 3.48Å; I69-V73 PolarHBondContact O-N 3.09Å; I69-A97 HydrophobicContact CD1-CB 4.16Å; I69-A97 HydrophobicContact CG2-CB 3.68Å
70L91Very high87.9Confident7 Ų762.6 Ų62.64%0.03728%0.281CS..Hα-helixtrans-62.4-41.6179.5-66.9177.8000112.2I11 L14 F15 W66 Q67 D68 K74I11-L70 HydrophobicContact CD1-CD1 4.22Å; I11-L70 HydrophobicContact CG1-CD1 4.47Å; I11-L70 HydrophobicContact CG2-CD1 4.47Å; I11-L70 HydrophobicContact CG2-CD2 3.85Å; L14-L70 HydrophobicContact CD1-CD2 3.69Å; F15-L70 HydrophobicContact CE2-CD2 3.81Å; F15-L70 HydrophobicContact CZ-CD2 3.86Å; W66-L70 HydrophobicContact CD2-CG 4.4Å; W66-L70 HydrophobicContact CH2-CD2 4.33Å; W66-L70 HydrophobicContact CZ2-CD2 3.84Å; W66-L70 HydrophobicContact CZ2-CG 4.34Å; W66-L70 WeakPolarHBondContact O-CG 3.44Å; W66-L70 PolarHBondContact O-N 3.39Å; Q67-L70 PolarHBondContact O-N 2.89Å; D68-L70 VanDerWaalsContact C-N 3.28Å; D68-L70 PolarHBondContact O-N 3.43Å; L70-K74 WeakPolarHBondContact O-CB 3.41Å; L70-K74 VanDerWaalsContact O-CG 3.24Å; L70-K74 WeakPolarHBondContact O-CG 3.29Å; L70-K74 PolarHBondContact O-N 2.82Å
71K87.9Confident89.1Confident60 Ų6053.9 Ų53.926%0.26124%0.244SC..Hα-helixtrans-62.5-47175.7-72.9176.4-159.5154.40111.7Q67 D68 I69 K74 F75Q67-K71 WeakPolarHBondContact O-CG 3.29Å; Q67-K71 PolarHBondContact O-N 3.01Å; D68-K71 PolarHBondContact O-N 3.35Å; D68-K71 IonicContact OD1-NZ 2.81Å; D68-K71 PolarHBondContact OD1-NZ 2.83Å; I69-K71 VanDerWaalsContact C-N 3.35Å; I69-K71 PolarHBondContact O-N 3.05Å; K71-K74 PolarHBondContact O-N 2.91Å; K71-F75 VanDerWaalsContact O-CB 3.28Å; K71-F75 WeakPolarHBondContact O-CB 3.41Å; K71-F75 PolarHBondContact O-N 2.93Å
72E91Very high90.1Very high4 Ų453.5 Ų53.52%0.01925%0.248CC..Hα-helixtrans-62.7-44.3-179.2-171.3172.5172.300111K53 D68 I69 F75 L76 L99K53-E72 VanDerWaalsContact NZ-CD 3.27Å; K53-E72 IonicContact NZ-OE1 2.81Å; K53-E72 PolarHBondContact NZ-OE1 3.46Å; K53-E72 IonicContact NZ-OE2 2.71Å; K53-E72 PolarHBondContact NZ-OE2 3.17Å; D68-E72 WeakPolarHBondContact O-CB 3.31Å; D68-E72 PolarHBondContact O-N 3.42Å; I69-E72 PolarHBondContact O-N 2.86Å; E72-F75 PolarHBondContact O-N 3.18Å; E72-L76 HydrophobicContact CG-CD1 4.02Å; E72-L76 WeakPolarHBondContact O-CB 3.2Å; E72-L76 WeakPolarHBondContact O-CG 3.47Å; E72-L76 PolarHBondContact O-N 3.03Å; E72-L99 HydrophobicContact CG-CD2 4.46Å
73V93.4Very high90.9Very high0 Ų051.4 Ų51.40%023%0.234CC..Hα-helixtrans-63.1-46.9176.2174.20000111.6L14 I69 F75 L76 R77 C90 L99L14-V73 HydrophobicContact CB-CG1 4.15Å; L14-V73 HydrophobicContact CD2-CG1 4.45Å; I69-V73 HydrophobicContact CG2-CG2 4.35Å; I69-V73 VanDerWaalsContact O-CG2 3.27Å; I69-V73 WeakPolarHBondContact O-CG2 3.48Å; I69-V73 PolarHBondContact O-N 3.09Å; V73-F75 VanDerWaalsContact C-N 3.31Å; V73-F75 PolarHBondContact O-N 3.31Å; V73-L76 PolarHBondContact O-N 3.22Å; V73-R77 VanDerWaalsContact O-CB 3.27Å; V73-R77 WeakPolarHBondContact O-CB 3.28Å; V73-R77 PolarHBondContact O-N 3.43Å; V73-C90 HydrophobicContact CG1-CB 4.25Å; V73-C90 HydrophobicContact CG2-CB 4.02Å; V73-L99 HydrophobicContact CG2-CD1 3.99Å
74K92.6Very high91.8Very high88 Ų8845 Ų4538%0.38321%0.205SC..Hα-helixtrans-60.5-42.3177.1-76.3179.6-179.5-169.40111.4L14 L70 K71L14-K74 HydrophobicContact CD1-CG 4.09Å; L14-K74 HydrophobicContact CD2-CG 3.93Å; L70-K74 WeakPolarHBondContact O-CB 3.41Å; L70-K74 VanDerWaalsContact O-CG 3.24Å; L70-K74 WeakPolarHBondContact O-CG 3.29Å; L70-K74 PolarHBondContact O-N 2.82Å; K71-K74 PolarHBondContact O-N 2.91Å
75F93.3Very high92.7Very high3 Ų342.7 Ų42.71%0.01319%0.194CC..Hα-helixtrans-64.1-51.2178.6-168.4-80000111.3K71 E72 V73 R77 Q78 L79 L138 L143 F166 A169 M171K71-F75 VanDerWaalsContact O-CB 3.28Å; K71-F75 WeakPolarHBondContact O-CB 3.41Å; K71-F75 PolarHBondContact O-N 2.93Å; E72-F75 PolarHBondContact O-N 3.18Å; V73-F75 VanDerWaalsContact C-N 3.31Å; V73-F75 PolarHBondContact O-N 3.31Å; F75-R77 VanDerWaalsContact C-N 3.31Å; F75-R77 PolarHBondContact O-N 3.08Å; F75-Q78 VanDerWaalsContact O-CG 3.25Å; F75-Q78 WeakPolarHBondContact O-CG 3.36Å; F75-Q78 PolarHBondContact O-N 2.99Å; F75-Q78 PolarHBondContact O-NE2 2.75Å; F75-L79 HydrophobicContact CD1-CD1 4Å; F75-L79 HydrophobicContact CD1-CD2 4.23Å; F75-L79 HydrophobicContact CD1-CG 4.26Å; F75-L79 HydrophobicContact CE1-CD1 3.8Å; F75-L79 HydrophobicContact CE1-CD2 3.78Å; F75-L79 HydrophobicContact CE1-CG 4.17Å; F75-L79 HydrophobicContact CZ-CD2 4.43Å; F75-L79 WeakPolarHBondContact O-CG 3.26Å; F75-L138 HydrophobicContact CE1-CD2 4.27Å; F75-L138 HydrophobicContact CZ-CD2 4.19Å; F75-L143 HydrophobicContact CE2-CB 4.07Å; F75-L143 HydrophobicContact CE2-CD1 4.21Å; F75-L143 HydrophobicContact CE2-CD2 3.9Å; F75-L143 HydrophobicContact CE2-CG 4.28Å; F75-L143 HydrophobicContact CZ-CB 3.94Å; F75-L143 HydrophobicContact CZ-CD1 3.94Å; F75-L143 HydrophobicContact CZ-CD2 4.43Å; F75-L143 HydrophobicContact CZ-CG 4.33Å; F75-F166 HydrophobicContact CD1-CB 3.61Å; F75-F166 AromaticContact CD1-CD1 3.73Å; F75-F166 HydrophobicContact CD1-CD1 3.73Å; F75-F166 AromaticContact CD1-CG 3.71Å; F75-F166 HydrophobicContact CD1-CG 3.71Å; F75-F166 HydrophobicContact CE1-CB 3.98Å; F75-F166 AromaticContact CE1-CD1 3.18Å; F75-F166 HydrophobicContact CE1-CD1 3.18Å; F75-F166 AromaticContact CE1-CE1 3.76Å; F75-F166 HydrophobicContact CE1-CE1 3.76Å; F75-F166 AromaticContact CE1-CG 3.69Å; F75-F166 HydrophobicContact CE1-CG 3.69Å; F75-F166 HydrophobicContact CG-CB 4.32Å; F75-F166 HydrophobicContact CZ-CD1 4.01Å; F75-A169 HydrophobicContact CD1-CB 4.17Å; F75-A169 HydrophobicContact CD2-CB 3.67Å; F75-A169 HydrophobicContact CE1-CB 3.91Å; F75-A169 HydrophobicContact CE2-CB 3.37Å; F75-A169 HydrophobicContact CG-CB 4.06Å; F75-A169 HydrophobicContact CZ-CB 3.5Å; F75-M171 HydrophobicContact CD2-CG 3.89Å
76L93.9Very high93.3Very high2 Ų245.2 Ų45.21%0.0121%0.207CC..Hα-helixtrans-62.6-37.1-178.2-84.2168.6000113.1E72 V73 Q78 L79 I85 Y87 L99 M101 F166E72-L76 HydrophobicContact CG-CD1 4.02Å; E72-L76 WeakPolarHBondContact O-CB 3.2Å; E72-L76 WeakPolarHBondContact O-CG 3.47Å; E72-L76 PolarHBondContact O-N 3.03Å; V73-L76 PolarHBondContact O-N 3.22Å; L76-Q78 PolarHBondContact O-N 3.07Å; L76-L79 HydrophobicContact CD2-CD1 4.16Å; L76-L79 PolarHBondContact O-N 3.43Å; L76-L79 VanDerWaalsContact O-N 3.1Å; L76-I85 HydrophobicContact CD2-CG2 3.86Å; L76-Y87 HydrophobicContact CB-CD2 4.03Å; L76-Y87 HydrophobicContact CB-CG 4.06Å; L76-Y87 HydrophobicContact CD1-CD2 4.46Å; L76-L99 HydrophobicContact CD1-CD1 3.84Å; L76-L99 HydrophobicContact CD1-CD2 3.53Å; L76-L99 HydrophobicContact CD1-CG 4.15Å; L76-M101 HydrophobicContact CD1-SD 4.47Å; L76-F166 HydrophobicContact CD2-CD2 3.42Å; L76-F166 VanDerWaalsContact CD2-CD2 3.42Å; L76-F166 HydrophobicContact CD2-CE2 3.84Å; L76-F166 HydrophobicContact CD2-CG 4.37Å; L76-F166 HydrophobicContact CG-CD2 4.13Å
77R93.7Very high93.7Very high138 Ų13846 Ų4652%0.52121%0.21SC..Hα-helixtrans-64-22.1-178.6-175.1171155.8168.9-7.1113.6D13 V73 F75 Y87D13-R77 PolarHBondContact O-NH1 3.49Å; V73-R77 VanDerWaalsContact O-CB 3.27Å; V73-R77 WeakPolarHBondContact O-CB 3.28Å; V73-R77 PolarHBondContact O-N 3.43Å; F75-R77 VanDerWaalsContact C-N 3.31Å; F75-R77 PolarHBondContact O-N 3.08Å; R77-Y87 HydrophobicContact CB-CD1 4.23Å; R77-Y87 HydrophobicContact CB-CE1 4.01Å; R77-Y87 HydrophobicContact CG-CE1 4.22Å
78Q93Very high94.1Very high88 Ų8844.7 Ų44.741%0.41120%0.203SC..THydrogen-bonded Turntrans-89.1-10.4177.688.4-157.7-37.700113.3F75 L76 L143F75-Q78 VanDerWaalsContact O-CG 3.25Å; F75-Q78 WeakPolarHBondContact O-CG 3.36Å; F75-Q78 PolarHBondContact O-N 2.99Å; F75-Q78 PolarHBondContact O-NE2 2.75Å; L76-Q78 PolarHBondContact O-N 3.07Å; Q78-L143 HydrophobicContact CG-CD1 4.27Å
79L95.8Very high94.7Very high21 Ų2144.4 Ų44.411%0.1120%0.202CC..  trans-84.2132.1-174.6-54.2-174.4000111.4F75 L76 T84 Y137 L138 L143 F166F75-L79 HydrophobicContact CD1-CD1 4Å; F75-L79 HydrophobicContact CD1-CD2 4.23Å; F75-L79 HydrophobicContact CD1-CG 4.26Å; F75-L79 HydrophobicContact CE1-CD1 3.8Å; F75-L79 HydrophobicContact CE1-CD2 3.78Å; F75-L79 HydrophobicContact CE1-CG 4.17Å; F75-L79 HydrophobicContact CZ-CD2 4.43Å; F75-L79 WeakPolarHBondContact O-CG 3.26Å; L76-L79 HydrophobicContact CD2-CD1 4.16Å; L76-L79 PolarHBondContact O-N 3.43Å; L76-L79 VanDerWaalsContact O-N 3.1Å; L79-T84 HydrophobicContact CD1-CG2 4.41Å; L79-Y137 HydrophobicContact CD2-CE1 4.18Å; L79-L138 HydrophobicContact CD2-CD2 3.67Å; L79-L143 HydrophobicContact CD2-CD1 3.87Å; L79-F166 HydrophobicContact CD1-CD1 4.3Å; L79-F166 HydrophobicContact CD1-CD2 4.08Å; L79-F166 HydrophobicContact CD1-CE1 3.91Å; L79-F166 HydrophobicContact CD1-CE2 3.68Å; L79-F166 HydrophobicContact CD1-CG 4.36Å; L79-F166 HydrophobicContact CD1-CZ 3.58Å
80K96.1Very high95Very high191 Ų19144.3 Ų44.383%0.8320%0.201SC*.  trans-146.683.9171.7-169.8177.1-178.9177.60110.1Y137K80-Y137 PolarHBondContact N-OH 3.33Å
81H98.2Very high95.2Very high42 Ų4245 Ų4519%0.19420%0.203CC..  trans-150.1141.9179.2-173.6-93.6000111.6N83 T84 H133 Y137H81-N83 PolarHBondContact CE1-OD1 2.94Å; H81-N83 PolarHBondContact ND1-N 3.24Å; H81-N83 PolarHBondContact O-N 3.42Å; H81-N83 VanDerWaalsContact O-N 3.14Å; H81-T84 HydrophobicContact CB-CG2 4.24Å; H81-T84 PolarHBondContact N-OG1 3.21Å; H81-T84 PolarHBondContact O-N 3.32Å; H81-T84 VanDerWaalsContact O-N 3.1Å; H81-T84 PolarHBondContact O-OG1 2.83Å; H81-H133 PolarHBondContact CE1-O 2.92Å; H81-Y137 HydrophobicContact CB-CD1 3.49Å; H81-Y137 VanDerWaalsContact CB-CD1 3.49Å; H81-Y137 HydrophobicContact CB-CD2 3.93Å; H81-Y137 HydrophobicContact CB-CE1 3.67Å; H81-Y137 HydrophobicContact CB-CE2 4.11Å; H81-Y137 HydrophobicContact CB-CG 3.62Å; H81-Y137 AromaticContact CD2-CD2 3.74Å; H81-Y137 AromaticContact CD2-CG 3.64Å; H81-Y137 AromaticContact CG-CD1 3.9Å; H81-Y137 AromaticContact CG-CG 3.6Å
82P97.9Very high95.5Very high67 Ų6744.4 Ų44.444%0.43520%0.203SC..THydrogen-bonded Turntrans-57.9-27.5-179.118.5-32.7000114.7Q160 K162P82-Q160 VanDerWaalsContact CB-NE2 3.3Å; P82-Q160 PolarHBondContact O-NE2 2.96Å; P82-K162 WeakPolarHBondContact O-CD 3.32Å; P82-K162 WeakPolarHBondContact O-CE 3.44Å; P82-K162 PolarHBondContact O-NZ 3.4Å
83N98.6Very high95.5Very high21 Ų2146 Ų4611%0.11221%0.21CC..THydrogen-bonded Turntrans-101.417.4178.8-56.8104.8000114.5H81 G130 H133 V161 L163H81-N83 PolarHBondContact CE1-OD1 2.94Å; H81-N83 PolarHBondContact ND1-N 3.24Å; H81-N83 PolarHBondContact O-N 3.42Å; H81-N83 VanDerWaalsContact O-N 3.14Å; N83-G130 VanDerWaalsContact CB-O 3.27Å; N83-G130 WeakPolarHBondContact CB-O 3.33Å; N83-G130 VanDerWaalsContact CG-O 3.3Å; N83-H133 HydrophobicContact CB-CB 4.48Å; N83-H133 WeakPolarHBondContact OD1-CB 3.36Å; N83-V161 WeakPolarHBondContact CA-O 3.46Å; N83-V161 PolarHBondContact ND2-O 3.4Å; N83-L163 PolarHBondContact O-N 3.21Å
84T98.1Very high95.1Very high3 Ų353.4 Ų53.42%0.01824%0.244CC..BIsolated β-bridgetrans-117.3144.7166.554.50000108.4L79 H81 E86 Y137 L138 F166L79-T84 HydrophobicContact CD1-CG2 4.41Å; H81-T84 HydrophobicContact CB-CG2 4.24Å; H81-T84 PolarHBondContact N-OG1 3.21Å; H81-T84 PolarHBondContact O-N 3.32Å; H81-T84 VanDerWaalsContact O-N 3.1Å; H81-T84 PolarHBondContact O-OG1 2.83Å; T84-E86 PolarHBondContact O-N 3.13Å; T84-Y137 HydrophobicContact CG2-CD1 4.15Å; T84-Y137 HydrophobicContact CG2-CE1 4.47Å; T84-L138 HydrophobicContact CG2-CD2 4.42Å; T84-F166 HydrophobicContact CG2-CZ 4.3Å
85I97Very high95Very high4 Ų454.7 Ų54.72%0.02125%0.251CS..PPolyproline II helixtrans-58.1130.9178.9-158.869.8000110.9L76 Y87 M101 E102 C104 L154 K162 L163 A164 F166L76-I85 HydrophobicContact CD2-CG2 3.86Å; I85-Y87 PolarHBondContact O-N 3.46Å; I85-M101 HydrophobicContact CG1-CB 4.08Å; I85-M101 HydrophobicContact CG1-SD 4.26Å; I85-M101 HydrophobicContact CG2-SD 3.92Å; I85-E102 HydrophobicContact CD1-CG 3.42Å; I85-E102 VanDerWaalsContact CD1-CG 3.42Å; I85-E102 HydrophobicContact CG1-CG 3.97Å; I85-C104 VanDerWaalsContact CD1-SG 3.54Å; I85-L154 HydrophobicContact CD1-CD1 4.16Å; I85-K162 HydrophobicContact CD1-CB 4.21Å; I85-K162 HydrophobicContact CD1-CG 4.43Å; I85-L163 PolarHBondContact N-O 2.84Å; I85-A164 HydrophobicContact CB-CB 4.3Å; I85-A164 HydrophobicContact CG2-CB 4.47Å; I85-F166 HydrophobicContact CG2-CD2 4.48Å; I85-F166 HydrophobicContact CG2-CE2 3.93Å
86E97.4Very high94.9Very high97 Ų9756 Ų5645%0.45326%0.259SS..PPolyproline II helixtrans-71.5119.5179.4-170-165.6170.400110.2T84 K88 M101 E102T84-E86 PolarHBondContact O-N 3.13Å; E86-K88 IonicContact OE1-NZ 3.29Å; E86-K88 PolarHBondContact OE1-NZ 2.93Å; E86-K88 IonicContact OE2-NZ 2.73Å; E86-K88 PolarHBondContact OE2-NZ 3.32Å; E86-M101 CarbonylContact O-C 3.55Å; E86-M101 WeakPolarHBondContact O-CA 3.37Å; E86-E102 HydrophobicContact CB-CB 3.99Å; E86-E102 HydrophobicContact CB-CG 3.85Å; E86-E102 WeakPolarHBondContact CB-OE1 3.46Å; E86-E102 PolarHBondContact N-OE1 2.97Å; E86-E102 PolarHBondContact O-N 3.02Å
87Y97Very high95Very high46 Ų4655.9 Ų55.918%0.1826%0.259CS..EExtended strand (participates in β ladder)trans-80.5125.4171.8172.5-110.7000110.8L76 R77 I85 G89 C90 L99L76-Y87 HydrophobicContact CB-CD2 4.03Å; L76-Y87 HydrophobicContact CB-CG 4.06Å; L76-Y87 HydrophobicContact CD1-CD2 4.46Å; R77-Y87 HydrophobicContact CB-CD1 4.23Å; R77-Y87 HydrophobicContact CB-CE1 4.01Å; R77-Y87 HydrophobicContact CG-CE1 4.22Å; I85-Y87 PolarHBondContact O-N 3.46Å; Y87-G89 VanDerWaalsContact CE2-O 3.27Å; Y87-G89 WeakPolarHBondContact CE2-O 3.35Å; Y87-G89 VanDerWaalsContact CZ-C 3.46Å; Y87-G89 VanDerWaalsContact CZ-CA 3.44Å; Y87-G89 VanDerWaalsContact OH-C 3.24Å; Y87-G89 WeakPolarHBondContact OH-CA 3.44Å; Y87-C90 HydrophobicContact CE2-CB 4.35Å; Y87-C90 WeakPolarHBondContact OH-CB 3.43Å; Y87-C90 PolarHBondContact OH-N 3.38Å; Y87-C90 VanDerWaalsContact OH-N 3.1Å; Y87-L99 HydrophobicContact CD2-CD1 3.81Å; Y87-L99 HydrophobicContact CE2-CD1 3.47Å; Y87-L99 VanDerWaalsContact CE2-CD1 3.47Å
88K96.4Very high95.1Very high48 Ų4849.8 Ų49.821%0.20924%0.236CC..EExtended strand (participates in β ladder)trans-109.9-10.6-178.6-64-175.4-176.6-76.60113.7E48 V50 E86 V100E48-K88 WeakPolarHBondContact OE1-CE 3.3Å; E48-K88 IonicContact OE1-NZ 2.72Å; E48-K88 PolarHBondContact OE1-NZ 3.38Å; V50-K88 HydrophobicContact CG1-CD 4Å; E86-K88 IonicContact OE1-NZ 3.29Å; E86-K88 PolarHBondContact OE1-NZ 2.93Å; E86-K88 IonicContact OE2-NZ 2.73Å; E86-K88 PolarHBondContact OE2-NZ 3.32Å; K88-V100 HydrophobicContact CB-CB 4.41Å; K88-V100 HydrophobicContact CB-CG1 4.13Å; K88-V100 PolarHBondContact N-O 2.89Å
89G95.6Very high95.3Very high0 Ų045.6 Ų45.60%022%0.216CC..EExtended strand (participates in β ladder)trans145.9169.7179.100000114Y87 V100Y87-G89 VanDerWaalsContact CE2-O 3.27Å; Y87-G89 WeakPolarHBondContact CE2-O 3.35Å; Y87-G89 VanDerWaalsContact CZ-C 3.46Å; Y87-G89 VanDerWaalsContact CZ-CA 3.44Å; Y87-G89 VanDerWaalsContact OH-C 3.24Å; Y87-G89 WeakPolarHBondContact OH-CA 3.44Å; G89-V100 PolarHBondContact N-O 3.2Å; G89-V100 PolarHBondContact O-N 2.81Å
90C96.6Very high95.3Very high0 Ų044.8 Ų44.80%021%0.212CC..EExtended strand (participates in β ladder)trans-135135.6172-161.40000109.3F15 Y16 V73 Y87 W98 L99F15-C90 CarbonylContact C-O 3.5Å; F15-C90 VanDerWaalsContact CA-O 3.28Å; F15-C90 WeakPolarHBondContact CA-O 3.37Å; F15-C90 HydrophobicContact CD1-CB 3.92Å; F15-C90 HydrophobicContact CE1-CB 4.24Å; F15-C90 VanDerWaalsContact CE1-SG 3.52Å; Y16-C90 PolarHBondContact N-O 3.42Å; V73-C90 HydrophobicContact CG1-CB 4.25Å; V73-C90 HydrophobicContact CG2-CB 4.02Å; Y87-C90 HydrophobicContact CE2-CB 4.35Å; Y87-C90 WeakPolarHBondContact OH-CB 3.43Å; Y87-C90 PolarHBondContact OH-N 3.38Å; Y87-C90 VanDerWaalsContact OH-N 3.1Å; C90-W98 VanDerWaalsContact CA-O 3.32Å; C90-W98 WeakPolarHBondContact CA-O 3.26Å; C90-L99 HydrophobicContact CB-CD1 4.37Å
91Y96.2Very high95.4Very high22 Ų2236.7 Ų36.79%0.08618%0.177CC..EExtended strand (participates in β ladder)trans-121.3158.7-179.5-57.3-102.9000109.8Y16 D18 P20 L23 F24 A97 W98 V100Y16-Y91 VanDerWaalsContact CB-CE1 3.45Å; Y16-Y91 HydrophobicContact CD2-CE1 4.1Å; Y16-Y91 HydrophobicContact CD2-CE2 4.1Å; Y16-Y91 AromaticContact CD2-CZ 3.79Å; Y16-Y91 HydrophobicContact CG-CE1 4.08Å; D18-Y91 HydrophobicContact CB-CE1 4.39Å; P20-Y91 HydrophobicContact CB-CD1 4.43Å; P20-Y91 HydrophobicContact CB-CG 4.02Å; L23-Y91 HydrophobicContact CD2-CE1 4.26Å; F24-Y91 HydrophobicContact CE2-CD2 4.11Å; F24-Y91 AromaticContact CE2-CE2 3.79Å; F24-Y91 HydrophobicContact CE2-CE2 3.79Å; F24-Y91 HydrophobicContact CZ-CE2 4.02Å; Y91-A97 CarbonylContact O-C 3.52Å; Y91-A97 WeakPolarHBondContact O-CA 3.42Å; Y91-W98 PolarHBondContact N-O 3.37Å; Y91-W98 PolarHBondContact O-N 2.89Å; Y91-V100 HydrophobicContact CD2-CG2 3.74Å; Y91-V100 HydrophobicContact CE2-CB 4.49Å; Y91-V100 HydrophobicContact CE2-CG2 3.66Å
92L93.6Very high95.3Very high48 Ų4835.9 Ų35.925%0.25117%0.174SC..EExtended strand (participates in β ladder)trans-127.6123.3-177.7-159.270.5000111.3L6 F15 Y57 W66 A97L6-L92 HydrophobicContact CD1-CD2 3.9Å; L6-L92 HydrophobicContact CG-CD2 4.44Å; F15-L92 HydrophobicContact CD1-CB 4.4Å; F15-L92 HydrophobicContact CD1-CD1 4.44Å; F15-L92 HydrophobicContact CE1-CD1 4.32Å; Y57-L92 HydrophobicContact CE1-CD1 3.61Å; Y57-L92 WeakPolarHBondContact OH-CD1 3.49Å; W66-L92 HydrophobicContact CH2-CD1 4.03Å; W66-L92 HydrophobicContact CH2-CD2 4.28Å; W66-L92 HydrophobicContact CZ3-CD1 3.87Å; L92-A97 HydrophobicContact CD1-CB 4.16Å
93K90.8Very high95.2Very high38 Ų3833.6 Ų33.617%0.16516%0.157CC..EExtended strand (participates in β ladder)trans-144.6127.2176.3-17665.6174.5-90.40109.9D19 P20 E21 H95 T96D19-K93 IonicContact OD1-NZ 3.45Å; D19-K93 PolarHBondContact OD1-NZ 3.32Å; D19-K93 IonicContact OD2-NZ 3.46Å; D19-K93 PolarHBondContact OD2-NZ 3.35Å; P20-K93 HydrophobicContact CG-CB 3.92Å; E21-K93 IonicContact OE2-NZ 2.7Å; E21-K93 PolarHBondContact OE2-NZ 2.92Å; K93-H95 PolarHBondContact O-N 3.07Å; K93-T96 PolarHBondContact N-O 3.22Å; K93-T96 WeakPolarHBondContact O-CA 3.27Å; K93-T96 WeakPolarHBondContact O-CB 3.41Å; K93-T96 PolarHBondContact O-N 3.48Å; K93-T96 VanDerWaalsContact O-O 3.1Å
94E86.1Confident95.1Very high154 Ų15433 Ų3372%0.7215%0.154SC*.THydrogen-bonded Turntrans43.756171.1-61.1-173.5175.900115.3T96E94-T96 PolarHBondContact O-N 2.65Å
95H89.4Confident94.8Very high115 Ų11533.1 Ų33.153%0.53216%0.155SC..THydrogen-bonded Turntrans62.725.4-178.7-53.184.8000115.4Y57 K93Y57-H95 WeakPolarHBondContact CD1-O 3.49Å; Y57-H95 HydrophobicContact CD2-CB 4.43Å; Y57-H95 HydrophobicContact CE1-CB 4.46Å; Y57-H95 WeakPolarHBondContact CE1-O 3.42Å; Y57-H95 HydrophobicContact CE2-CB 4.1Å; Y57-H95 AromaticContact CE2-CD2 3.83Å; Y57-H95 PolarHBondContact N-O 2.93Å; Y57-H95 WeakPolarHBondContact OH-CA 3.24Å; K93-H95 PolarHBondContact O-N 3.07Å
96T92.2Very high94.7Very high30 Ų3033.4 Ų33.418%0.18416%0.158CC..EExtended strand (participates in β ladder)trans-131.1124.5176.2-530000109.8K54 M55 K93 E94K54-T96 HydrophobicContact CB-CG2 3.97Å; M55-T96 WeakPolarHBondContact O-CA 3.32Å; K93-T96 PolarHBondContact N-O 3.22Å; K93-T96 WeakPolarHBondContact O-CA 3.27Å; K93-T96 WeakPolarHBondContact O-CB 3.41Å; K93-T96 PolarHBondContact O-N 3.48Å; K93-T96 VanDerWaalsContact O-O 3.1Å; E94-T96 PolarHBondContact O-N 2.65Å
97A94.8Very high94.6Very high0 Ų029.2 Ų29.20%014%0.14CC..EExtended strand (participates in β ladder)trans-87.6132.6170.700000109.6F15 K54 M55 I69 Y91 L92F15-A97 HydrophobicContact CE1-CB 4.22Å; K54-A97 CarbonylContact C-O 3.52Å; K54-A97 WeakPolarHBondContact CA-O 3.46Å; M55-A97 HydrophobicContact CE-CB 4.47Å; M55-A97 PolarHBondContact N-O 2.95Å; M55-A97 PolarHBondContact O-N 3.48Å; I69-A97 HydrophobicContact CD1-CB 4.16Å; I69-A97 HydrophobicContact CG2-CB 3.68Å; Y91-A97 CarbonylContact O-C 3.52Å; Y91-A97 WeakPolarHBondContact O-CA 3.42Å; L92-A97 HydrophobicContact CD1-CB 4.16Å
98W96.6Very high94.5Very high11 Ų1127 Ų274%0.04213%0.131CC..EExtended strand (participates in β ladder)trans-110.195.7178.9-6948.8000108.1P20 E21 L27 I52 K54 C90 Y91P20-W98 HydrophobicContact CB-CB 4.36Å; P20-W98 HydrophobicContact CB-CD2 3.77Å; P20-W98 HydrophobicContact CB-CE3 3.63Å; P20-W98 HydrophobicContact CB-CG 4.13Å; P20-W98 HydrophobicContact CB-CZ3 4.04Å; P20-W98 HydrophobicContact CG-CD2 3.84Å; P20-W98 HydrophobicContact CG-CE3 4.2Å; P20-W98 HydrophobicContact CG-CG 4.01Å; P20-W98 HydrophobicContact CG-CZ2 4.38Å; E21-W98 HydrophobicContact CG-CH2 3.88Å; E21-W98 HydrophobicContact CG-CZ2 3.94Å; L27-W98 HydrophobicContact CD2-CH2 4.08Å; L27-W98 HydrophobicContact CD2-CZ3 3.93Å; I52-W98 HydrophobicContact CD1-CE3 4.15Å; I52-W98 HydrophobicContact CD1-CZ3 4.41Å; I52-W98 HydrophobicContact CG2-CB 3.94Å; I52-W98 HydrophobicContact CG2-CD2 4.18Å; I52-W98 HydrophobicContact CG2-CE3 3.72Å; I52-W98 HydrophobicContact CG2-CG 4.31Å; K54-W98 HydrophobicContact CD-CD2 4.11Å; K54-W98 HydrophobicContact CD-CZ2 4.06Å; K54-W98 VanDerWaalsContact CE-CE2 3.45Å; K54-W98 HydrophobicContact CG-CD2 4.06Å; K54-W98 HydrophobicContact CG-CG 4.19Å; C90-W98 VanDerWaalsContact CA-O 3.32Å; C90-W98 WeakPolarHBondContact CA-O 3.26Å; Y91-W98 PolarHBondContact N-O 3.37Å; Y91-W98 PolarHBondContact O-N 2.89Å
99L95.9Very high94.4Very high0 Ų026.3 Ų26.30%013%0.133CC..EExtended strand (participates in β ladder)trans-84.9113178.617979.4000109.2I52 K53 M55 E72 V73 L76 Y87 C90 M101I52-L99 CarbonylContact C-O 3.58Å; I52-L99 WeakPolarHBondContact CA-O 3.38Å; K53-L99 HydrophobicContact CB-CB 4.27Å; K53-L99 HydrophobicContact CB-CD2 4.36Å; K53-L99 HydrophobicContact CD-CD2 4.25Å; K53-L99 PolarHBondContact N-O 2.92Å; K53-L99 PolarHBondContact O-N 2.93Å; M55-L99 HydrophobicContact CE-CB 3.76Å; M55-L99 HydrophobicContact CE-CD2 4.16Å; M55-L99 HydrophobicContact CE-CG 4.48Å; E72-L99 HydrophobicContact CG-CD2 4.46Å; V73-L99 HydrophobicContact CG2-CD1 3.99Å; L76-L99 HydrophobicContact CD1-CD1 3.84Å; L76-L99 HydrophobicContact CD1-CD2 3.53Å; L76-L99 HydrophobicContact CD1-CG 4.15Å; Y87-L99 HydrophobicContact CD2-CD1 3.81Å; Y87-L99 HydrophobicContact CE2-CD1 3.47Å; Y87-L99 VanDerWaalsContact CE2-CD1 3.47Å; C90-L99 HydrophobicContact CB-CD1 4.37Å; L99-M101 HydrophobicContact CD2-CE 4.23Å; L99-M101 HydrophobicContact CD2-SD 4.08Å; L99-M101 HydrophobicContact CG-CG 4.45Å; L99-M101 HydrophobicContact CG-SD 4.49Å
100V97.5Very high94.2Very high4 Ų427.2 Ų27.22%0.02414%0.137CC..EExtended strand (participates in β ladder)trans-99.5130.5-175-170.90000109.8F24 V50 A51 I52 K88 G89 Y91F24-V100 HydrophobicContact CE1-CG1 4.08Å; F24-V100 HydrophobicContact CE2-CG2 3.77Å; F24-V100 HydrophobicContact CZ-CB 4.39Å; F24-V100 HydrophobicContact CZ-CG1 3.87Å; F24-V100 HydrophobicContact CZ-CG2 3.71Å; V50-V100 HydrophobicContact CB-CG1 3.81Å; V50-V100 HydrophobicContact CG1-CG1 4.05Å; V50-V100 HydrophobicContact CG2-CG1 3.92Å; A51-V100 CarbonylContact O-C 3.57Å; A51-V100 WeakPolarHBondContact O-CA 3.31Å; I52-V100 HydrophobicContact CG1-CG1 4.48Å; I52-V100 HydrophobicContact CG1-CG2 4.29Å; K88-V100 HydrophobicContact CB-CB 4.41Å; K88-V100 HydrophobicContact CB-CG1 4.13Å; K88-V100 PolarHBondContact N-O 2.89Å; G89-V100 PolarHBondContact N-O 3.2Å; G89-V100 PolarHBondContact O-N 2.81Å; Y91-V100 HydrophobicContact CD2-CG2 3.74Å; Y91-V100 HydrophobicContact CE2-CB 4.49Å; Y91-V100 HydrophobicContact CE2-CG2 3.66Å
101M96.8Very high94.1Very high20 Ų2027.3 Ų27.310%0.09914%0.138CC..EExtended strand (participates in β ladder)trans-136.8166-176.1-63.6173.8-69.300110.7V50 A51 K53 L76 I85 E86 L99V50-M101 WeakPolarHBondContact CB-O 3.43Å; A51-M101 PolarHBondContact N-O 3.48Å; A51-M101 PolarHBondContact O-N 3.36Å; K53-M101 HydrophobicContact CB-CE 3.99Å; L76-M101 HydrophobicContact CD1-SD 4.47Å; I85-M101 HydrophobicContact CG1-CB 4.08Å; I85-M101 HydrophobicContact CG1-SD 4.26Å; I85-M101 HydrophobicContact CG2-SD 3.92Å; E86-M101 CarbonylContact O-C 3.55Å; E86-M101 WeakPolarHBondContact O-CA 3.37Å; L99-M101 HydrophobicContact CD2-CE 4.23Å; L99-M101 HydrophobicContact CD2-SD 4.08Å; L99-M101 HydrophobicContact CG-CG 4.45Å; L99-M101 HydrophobicContact CG-SD 4.49Å
102E96.1Very high93.9Very high26 Ų2626.6 Ų26.612%0.12114%0.135CC..EExtended strand (participates in β ladder)trans-56.7146.8165.769.1-177.9134.500111I85 E86 K162I85-E102 HydrophobicContact CD1-CG 3.42Å; I85-E102 VanDerWaalsContact CD1-CG 3.42Å; I85-E102 HydrophobicContact CG1-CG 3.97Å; E86-E102 HydrophobicContact CB-CB 3.99Å; E86-E102 HydrophobicContact CB-CG 3.85Å; E86-E102 WeakPolarHBondContact CB-OE1 3.46Å; E86-E102 PolarHBondContact N-OE1 2.97Å; E86-E102 PolarHBondContact O-N 3.02Å; E102-K162 WeakPolarHBondContact OE1-CD 3.24Å; E102-K162 WeakPolarHBondContact OE1-CE 3.45Å; E102-K162 IonicContact OE1-NZ 3.73Å; E102-K162 PolarHBondContact OE1-NZ 3.3Å; E102-K162 WeakPolarHBondContact OE2-CE 3.42Å; E102-K162 IonicContact OE2-NZ 3.72Å; E102-K162 PolarHBondContact OE2-NZ 3.14Å; E102-K162 VanDerWaalsContact OE2-NZ 3.16Å
103Y96.5Very high93.7Very high18 Ų1825.8 Ų25.87%0.07113%0.13CC..  trans-87.7132.1176.3175.2-98.4000111.2I30 F40 V49 A51 K310 Q314I30-Y103 HydrophobicContact CD1-CD2 4.12Å; I30-Y103 HydrophobicContact CD1-CE2 3.84Å; F40-Y103 HydrophobicContact CB-CE2 4.21Å; F40-Y103 HydrophobicContact CD2-CD1 4.45Å; F40-Y103 AromaticContact CD2-CD2 3.84Å; F40-Y103 HydrophobicContact CD2-CD2 3.84Å; F40-Y103 HydrophobicContact CD2-CE1 4.16Å; F40-Y103 AromaticContact CD2-CE2 3.54Å; F40-Y103 HydrophobicContact CD2-CE2 3.54Å; F40-Y103 HydrophobicContact CD2-CG 4.28Å; F40-Y103 AromaticContact CD2-CZ 3.69Å; F40-Y103 HydrophobicContact CE2-CE1 4.3Å; F40-Y103 HydrophobicContact CE2-CE2 4.45Å; F40-Y103 HydrophobicContact CG-CE2 4.37Å; V49-Y103 HydrophobicContact CG1-CD1 3.87Å; V49-Y103 HydrophobicContact CG1-CD2 4.48Å; V49-Y103 HydrophobicContact CG1-CG 3.78Å; A51-Y103 HydrophobicContact CB-CD2 4.45Å; Y103-K310 PolarHBondContact OH-O 3.49Å; Y103-K310 VanDerWaalsContact OH-O 3.04Å; Y103-Q314 HydrophobicContact CD1-CG 4.12Å; Y103-Q314 VanDerWaalsContact CD1-NE2 3.33Å; Y103-Q314 HydrophobicContact CE1-CG 3.73Å
104C95.8Very high93.7Very high10 Ų1024.4 Ų24.47%0.06813%0.125CC..  trans-109.2151.5171.9-68.40000110.1I85 G106 L154 L155I85-C104 VanDerWaalsContact CD1-SG 3.54Å; C104-G106 PolarHBondContact O-N 3.41Å; C104-L154 HydrophobicContact CB-CB 3.75Å; C104-L154 HydrophobicContact CB-CD1 4.08Å; C104-L155 WeakPolarHBondContact CB-O 3.38Å
105L93.3Very high93.9Very high5 Ų518.2 Ų18.23%0.02610%0.096CC..SBendtrans-61.1-44.6178.2175.7130.1000111.4L155 E157 I290 K294 I311L105-L155 WeakPolarHBondContact CB-O 3.29Å; L105-L155 PolarHBondContact N-O 3.45Å; L105-E157 HydrophobicContact CD1-CG 4.4Å; L105-I290 HydrophobicContact CD1-CG2 3.74Å; L105-I290 HydrophobicContact CD2-CG2 4.29Å; L105-K294 HydrophobicContact CD1-CD 4.38Å; L105-K294 VanDerWaalsContact CD1-CE 3.41Å; L105-K294 HydrophobicContact CD1-CG 4.28Å; L105-I311 HydrophobicContact CD1-CG2 4.24Å; L105-I311 HydrophobicContact CD2-CD1 3.9Å; L105-I311 HydrophobicContact CD2-CG2 3.97Å; L105-I311 HydrophobicContact CG-CD1 4.32Å; L105-I311 HydrophobicContact CG-CG2 4.09Å; L105-I311 WeakPolarHBondContact O-CD1 3.42Å
106G93Very high94Very high9 Ų916.2 Ų16.29%0.0939%0.086CC..EExtended strand (participates in β ladder)trans-178.5178.9177.800000112.8C104 L154 L155C104-G106 PolarHBondContact O-N 3.41Å; G106-L154 WeakPolarHBondContact O-CA 3.36Å; G106-L155 PolarHBondContact O-N 2.95Å
107S95.4Very high93.9Very high9 Ų921.7 Ų21.76%0.06311%0.107CC..EExtended strand (participates in β ladder)trans-86.4161.4173.367.60000112.2S109 D110 L111 G151 I153S107-S109 PolarHBondContact O-N 3.36Å; S107-D110 PolarHBondContact N-OD2 2.95Å; S107-D110 WeakPolarHBondContact O-CB 3.36Å; S107-D110 PolarHBondContact O-N 3.26Å; S107-D110 PolarHBondContact OG-N 3.44Å; S107-D110 VanDerWaalsContact OG-N 3.09Å; S107-D110 PolarHBondContact OG-OD2 3.48Å; S107-L111 PolarHBondContact O-N 3.38Å; S107-G151 WeakPolarHBondContact CB-O 3.27Å; S107-I153 CarbonylContact C-O 3.29Å; S107-I153 WeakPolarHBondContact CA-O 3.28Å
108A96.3Very high93.9Very high0 Ų024.5 Ų24.50%013%0.126CC..Hα-helixtrans-62.9-27171.900000112.1L111 L112 I127 A150 I153 L155 L214A108-L111 WeakPolarHBondContact O-CB 3.31Å; A108-L111 PolarHBondContact O-N 3.47Å; A108-L112 PolarHBondContact O-N 2.87Å; A108-I127 HydrophobicContact CB-CD1 4.46Å; A108-A150 HydrophobicContact CB-CB 4.14Å; A108-A150 PolarHBondContact N-O 2.91Å; A108-I153 HydrophobicContact CB-CB 4.48Å; A108-I153 PolarHBondContact N-O 3.03Å; A108-L155 HydrophobicContact CB-CD1 4.29Å; A108-L214 HydrophobicContact CB-CD2 3.91Å
109S93.8Very high94Very high34 Ų3424.1 Ų24.124%0.23812%0.124CC..Hα-helixtrans-65.5-39.8170.7-166.20000112.3S107 L111 L112 E113 A150S107-S109 PolarHBondContact O-N 3.36Å; S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact O-N 3.34Å; S109-L112 WeakPolarHBondContact O-CB 3.38Å; S109-L112 PolarHBondContact O-N 3.38Å; S109-E113 PolarHBondContact O-N 3.41Å; S109-A150 PolarHBondContact N-O 3.46Å; S109-A150 VanDerWaalsContact N-O 3.14Å
110D92.1Very high94.1Very high19 Ų1929.5 Ų29.510%0.10215%0.149CC..Hα-helixtrans-61.5-37.8175.5-63.6-51.2000111.4S107 E113 V114 K310 I311S107-D110 PolarHBondContact N-OD2 2.95Å; S107-D110 WeakPolarHBondContact O-CB 3.36Å; S107-D110 PolarHBondContact O-N 3.26Å; S107-D110 PolarHBondContact OG-N 3.44Å; S107-D110 VanDerWaalsContact OG-N 3.09Å; S107-D110 PolarHBondContact OG-OD2 3.48Å; D110-E113 PolarHBondContact O-N 2.93Å; D110-V114 WeakPolarHBondContact O-CG2 3.38Å; D110-V114 PolarHBondContact O-N 3.23Å; D110-K310 VanDerWaalsContact OD1-CE 3.27Å; D110-K310 WeakPolarHBondContact OD1-CE 3.41Å; D110-K310 IonicContact OD1-NZ 2.88Å; D110-K310 PolarHBondContact OD1-NZ 3.2Å; D110-K310 IonicContact OD2-NZ 2.71Å; D110-K310 PolarHBondContact OD2-NZ 2.99Å; D110-I311 HydrophobicContact CB-CD1 4.44Å
111L93.8Very high94.1Very high1 Ų130.4 Ų30.41%0.00515%0.153CC..Hα-helixtrans-60.1-46.7175.7-57.3175.3000111.6S107 A108 S109 E113 V114 H115 L119 I127 L155 L289 T293S107-L111 PolarHBondContact O-N 3.38Å; A108-L111 WeakPolarHBondContact O-CB 3.31Å; A108-L111 PolarHBondContact O-N 3.47Å; S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact O-N 3.34Å; L111-E113 VanDerWaalsContact C-N 3.26Å; L111-E113 PolarHBondContact O-N 2.89Å; L111-V114 PolarHBondContact O-N 2.85Å; L111-H115 PolarHBondContact O-CD2 2.85Å; L111-H115 PolarHBondContact O-N 3.24Å; L111-H115 VanDerWaalsContact O-N 3.08Å; L111-L119 HydrophobicContact CB-CD2 4.27Å; L111-L119 HydrophobicContact CD1-CD1 4.47Å; L111-I127 HydrophobicContact CD1-CD1 4.46Å; L111-L155 HydrophobicContact CD1-CD1 3.84Å; L111-L155 HydrophobicContact CD1-CD2 4.01Å; L111-L289 HydrophobicContact CD1-CD2 3.9Å; L111-L289 HydrophobicContact CD1-CG 4.36Å; L111-T293 HydrophobicContact CD2-CG2 3.65Å; L111-T293 WeakPolarHBondContact CD2-OG1 3.37Å
112L91.8Very high94.1Very high8 Ų831.6 Ų31.64%0.04216%0.162CC..Hα-helixtrans-61.2-37.7175.4-68171.2000111.7A108 S109 K116 L119 E213 L214 R217A108-L112 PolarHBondContact O-N 2.87Å; S109-L112 WeakPolarHBondContact O-CB 3.38Å; S109-L112 PolarHBondContact O-N 3.38Å; L112-K116 WeakPolarHBondContact O-CA 3.47Å; L112-K116 PolarHBondContact O-N 3.28Å; L112-L119 HydrophobicContact CD2-CD2 4.43Å; L112-L119 HydrophobicContact CD2-CG 4Å; L112-E213 HydrophobicContact CD1-CG 4.33Å; L112-L214 HydrophobicContact CD1-CD2 4.11Å; L112-L214 HydrophobicContact CG-CD2 4.42Å; L112-R217 HydrophobicContact CD2-CG 4.35Å
113E89.3Confident94.2Very high30 Ų3030.8 Ų30.814%0.1416%0.158CC..Hα-helixtrans-72.8-36.5-178.9-166.1-179.8170.700112.5S109 D110 L111 K116 K307 M308S109-E113 PolarHBondContact O-N 3.41Å; D110-E113 PolarHBondContact O-N 2.93Å; L111-E113 VanDerWaalsContact C-N 3.26Å; L111-E113 PolarHBondContact O-N 2.89Å; E113-K116 WeakPolarHBondContact O-CD 3.46Å; E113-K116 WeakPolarHBondContact O-CE 3.46Å; E113-K116 PolarHBondContact O-NZ 2.83Å; E113-K116 IonicContact OE1-NZ 3.34Å; E113-K307 WeakPolarHBondContact OE1-CD 3.44Å; E113-K307 WeakPolarHBondContact OE1-CE 3.38Å; E113-K307 IonicContact OE1-NZ 3.88Å; E113-K307 PolarHBondContact OE1-NZ 3Å; E113-K307 WeakPolarHBondContact OE2-CE 3.3Å; E113-K307 IonicContact OE2-NZ 2.74Å; E113-K307 PolarHBondContact OE2-NZ 2.99Å; E113-M308 HydrophobicContact CB-CE 3.43Å; E113-M308 VanDerWaalsContact CB-CE 3.43Å; E113-M308 HydrophobicContact CG-CE 3.25Å; E113-M308 WeakPolarHBondContact OE2-CE 3.36Å
114V91.3Very high94.3Very high9 Ų929.9 Ų29.96%0.05515%0.154CC..Hα-helixtrans-65.7-50.4174.3169.10000110.7D110 L111 K116 T293 A296 V297 M308D110-V114 WeakPolarHBondContact O-CG2 3.38Å; D110-V114 PolarHBondContact O-N 3.23Å; L111-V114 PolarHBondContact O-N 2.85Å; V114-K116 PolarHBondContact O-N 2.97Å; V114-T293 HydrophobicContact CB-CG2 4.11Å; V114-T293 HydrophobicContact CG1-CG2 3.88Å; V114-T293 HydrophobicContact CG2-CG2 4.13Å; V114-A296 HydrophobicContact CG1-CB 3.8Å; V114-V297 HydrophobicContact CB-CG2 4.4Å; V114-V297 HydrophobicContact CG1-CG2 3.75Å; V114-V297 HydrophobicContact CG2-CG2 3.66Å; V114-M308 HydrophobicContact CG2-CB 4.18Å; V114-M308 HydrophobicContact CG2-CE 4.49Å; V114-M308 HydrophobicContact CG2-CG 3.84Å; V114-M308 HydrophobicContact CG2-SD 3.89Å
115H90.8Very high94.5Very high24 Ų2429.6 Ų29.611%0.11115%0.153CC..Hα-helixtrans-79.7-18.8-173.6-68.7-60.4000113.9L111 K117 R292 T293L111-H115 PolarHBondContact O-CD2 2.85Å; L111-H115 PolarHBondContact O-N 3.24Å; L111-H115 VanDerWaalsContact O-N 3.08Å; H115-K117 HydrophobicContact CB-CB 4.49Å; H115-K117 WeakPolarHBondContact O-CG 3.47Å; H115-K117 PolarHBondContact O-N 3.37Å; H115-R292 VanDerWaalsContact CE1-CZ 3.47Å; H115-R292 PolarHBondContact CE1-NH1 2.96Å; H115-R292 PolarHBondContact ND1-NH1 3.35Å; H115-T293 PolarHBondContact NE2-OG1 3.11Å
116K90.2Very high94.7Very high73 Ų7329.8 Ų29.832%0.31716%0.155SC..SBendtrans50.125-171.1-55.9-62.5-174.4-149.20113.2L112 E113 V114 R217L112-K116 WeakPolarHBondContact O-CA 3.47Å; L112-K116 PolarHBondContact O-N 3.28Å; E113-K116 WeakPolarHBondContact O-CD 3.46Å; E113-K116 WeakPolarHBondContact O-CE 3.46Å; E113-K116 PolarHBondContact O-NZ 2.83Å; E113-K116 IonicContact OE1-NZ 3.34Å; V114-K116 PolarHBondContact O-N 2.97Å; K116-R217 VanDerWaalsContact O-CZ 3.23Å; K116-R217 PolarHBondContact O-NE 3.03Å; K116-R217 PolarHBondContact O-NH1 3.25Å
117K91.3Very high95Very high145 Ų14529.3 Ų29.363%0.6315%0.15SC*.SBendtrans-138.6153.6-177.6-70.8179.9-178.1-178.60109.3H115H115-K117 HydrophobicContact CB-CB 4.49Å; H115-K117 WeakPolarHBondContact O-CG 3.47Å; H115-K117 PolarHBondContact O-N 3.37Å
118P95.2Very high95.1Very high60 Ų6029 Ų2939%0.3915%0.148SC..PPolyproline II helixtrans-52.8154.1164.7-26.236.9000112.1A215 R217P118-A215 WeakPolarHBondContact CB-O 3.27Å; P118-A215 WeakPolarHBondContact CG-O 3.33Å; P118-R217 HydrophobicContact CG-CG 4.29Å
119L97.4Very high95.2Very high3 Ų331.3 Ų31.32%0.01616%0.158CC..PPolyproline II helixtrans-76.4157.8169.9-61.2-172.8000110.6L111 L112 E123 I124 I127 L214 L289L111-L119 HydrophobicContact CB-CD2 4.27Å; L111-L119 HydrophobicContact CD1-CD1 4.47Å; L112-L119 HydrophobicContact CD2-CD2 4.43Å; L112-L119 HydrophobicContact CD2-CG 4Å; L119-E123 HydrophobicContact CB-CB 4.23Å; L119-E123 WeakPolarHBondContact CB-OE2 3.48Å; L119-I124 HydrophobicContact CB-CD1 4.47Å; L119-I124 HydrophobicContact CB-CG1 3.87Å; L119-I127 HydrophobicContact CD1-CD1 3.63Å; L119-L214 HydrophobicContact CD1-CD2 4.05Å; L119-L214 PolarHBondContact N-O 3.37Å; L119-L214 VanDerWaalsContact N-O 3.1Å; L119-L289 HydrophobicContact CD1-CD2 4.48Å; L119-L289 HydrophobicContact CD2-CD1 4.2Å
120Q97.7Very high95.4Very high112 Ų11230 Ų3052%0.52315%0.15SC..PPolyproline II helixtrans-68.9148.7174.7-57.8-179.512.100110.3V122 E123 I124Q120-V122 HydrophobicContact CB-CG2 4.18Å; Q120-V122 PolarHBondContact O-N 3.04Å; Q120-V122 VanDerWaalsContact O-N 3.1Å; Q120-E123 HydrophobicContact CB-CB 4.44Å; Q120-E123 HydrophobicContact CB-CG 4.01Å; Q120-E123 PolarHBondContact N-OE2 3.2Å; Q120-E123 WeakPolarHBondContact O-CA 3.43Å; Q120-E123 VanDerWaalsContact O-CB 3.3Å; Q120-E123 WeakPolarHBondContact O-CB 3.33Å; Q120-E123 PolarHBondContact O-N 2.85Å; Q120-I124 WeakPolarHBondContact O-CG1 3.5Å; Q120-I124 PolarHBondContact O-N 2.92Å
121E97.9Very high95.8Very high23 Ų2329 Ų2911%0.10715%0.145CC..Hα-helixtrans-55.2-37.2-177.3-168.4178.811900112.9E123 I124 A125 W246 T247 F250 F276 R279E121-E123 VanDerWaalsContact C-N 3.35Å; E121-I124 PolarHBondContact O-N 3.09Å; E121-A125 WeakPolarHBondContact O-CB 3.44Å; E121-A125 PolarHBondContact O-N 2.94Å; E121-W246 HydrophobicContact CB-CE3 3.99Å; E121-W246 HydrophobicContact CB-CZ3 3.84Å; E121-W246 HydrophobicContact CG-CE3 4.17Å; E121-W246 HydrophobicContact CG-CZ3 4.42Å; E121-T247 WeakPolarHBondContact OE1-CB 3.49Å; E121-T247 VanDerWaalsContact OE1-CG2 3.27Å; E121-T247 WeakPolarHBondContact OE1-CG2 3.3Å; E121-T247 PolarHBondContact OE1-OG1 3.2Å; E121-T247 WeakPolarHBondContact OE2-CG2 3.46Å; E121-T247 PolarHBondContact OE2-N 3.3Å; E121-T247 PolarHBondContact OE2-OG1 3.07Å; E121-F250 HydrophobicContact CG-CB 4.21Å; E121-F250 HydrophobicContact CG-CD1 3.95Å; E121-F250 HydrophobicContact CG-CG 4.23Å; E121-F276 HydrophobicContact CG-CE2 3.87Å; E121-R279 IonicContact OE1-CZ 3.29Å; E121-R279 IonicContact OE1-NH1 3.03Å; E121-R279 PolarHBondContact OE1-NH1 3.01Å; E121-R279 IonicContact OE1-NH2 3.38Å; E121-R279 PolarHBondContact OE1-NH2 3.31Å
122V97.8Very high96Very high46 Ų4629 Ų2928%0.27915%0.145SC..Hα-helixtrans-67.8-33.1177-65.60000113.1Q120 A126 V285Q120-V122 HydrophobicContact CB-CG2 4.18Å; Q120-V122 PolarHBondContact O-N 3.04Å; Q120-V122 VanDerWaalsContact O-N 3.1Å; V122-A126 WeakPolarHBondContact O-CB 3.44Å; V122-A126 PolarHBondContact O-N 3.37Å; V122-A126 VanDerWaalsContact O-N 3.12Å; V122-V285 HydrophobicContact CB-CG2 4.41Å; V122-V285 HydrophobicContact CG2-CG1 4.43Å; V122-V285 HydrophobicContact CG2-CG2 4.38Å
123E98.3Very high96.3Very high8 Ų831.9 Ų31.94%0.03716%0.158CC..Hα-helixtrans-69.8-45.7174.6-64.1168.6162.900109.6L119 Q120 E121 A125 A126 I127 V285 L289 R292L119-E123 HydrophobicContact CB-CB 4.23Å; L119-E123 WeakPolarHBondContact CB-OE2 3.48Å; Q120-E123 HydrophobicContact CB-CB 4.44Å; Q120-E123 HydrophobicContact CB-CG 4.01Å; Q120-E123 PolarHBondContact N-OE2 3.2Å; Q120-E123 WeakPolarHBondContact O-CA 3.43Å; Q120-E123 VanDerWaalsContact O-CB 3.3Å; Q120-E123 WeakPolarHBondContact O-CB 3.33Å; Q120-E123 PolarHBondContact O-N 2.85Å; E121-E123 VanDerWaalsContact C-N 3.35Å; E123-A125 PolarHBondContact O-N 2.86Å; E123-A126 PolarHBondContact O-N 2.97Å; E123-I127 WeakPolarHBondContact O-CG1 3.29Å; E123-I127 PolarHBondContact O-N 3.48Å; E123-V285 HydrophobicContact CB-CG1 4.34Å; E123-V285 HydrophobicContact CG-CG1 3.94Å; E123-L289 HydrophobicContact CB-CD2 4Å; E123-L289 HydrophobicContact CG-CB 4.33Å; E123-L289 HydrophobicContact CG-CD2 4Å; E123-L289 WeakPolarHBondContact OE1-CD1 3.44Å; E123-R292 IonicContact OE1-NH2 2.96Å
124I98.5Very high96.8Very high0 Ų030.4 Ų30.40%015%0.151CC..Hα-helixtrans-58.4-49.2175-58.3175.2000110L119 Q120 E121 A126 I127 T128 L214 A215 W246 F250 F276L119-I124 HydrophobicContact CB-CD1 4.47Å; L119-I124 HydrophobicContact CB-CG1 3.87Å; Q120-I124 WeakPolarHBondContact O-CG1 3.5Å; Q120-I124 PolarHBondContact O-N 2.92Å; E121-I124 PolarHBondContact O-N 3.09Å; I124-A126 VanDerWaalsContact C-N 3.31Å; I124-A126 PolarHBondContact O-N 3.46Å; I124-I127 PolarHBondContact O-N 2.89Å; I124-T128 VanDerWaalsContact O-CB 3.28Å; I124-T128 WeakPolarHBondContact O-CB 3.33Å; I124-T128 PolarHBondContact O-N 3.5Å; I124-T128 PolarHBondContact O-OG1 3.23Å; I124-L214 HydrophobicContact CD1-CB 4.12Å; I124-L214 HydrophobicContact CG1-CB 3.95Å; I124-L214 HydrophobicContact CG2-CB 4.33Å; I124-L214 HydrophobicContact CG2-CD1 4.16Å; I124-A215 HydrophobicContact CD1-CB 4.14Å; I124-W246 HydrophobicContact CD1-CH2 4.08Å; I124-W246 HydrophobicContact CD1-CZ3 4.17Å; I124-F250 HydrophobicContact CD1-CE1 4.15Å; I124-F250 HydrophobicContact CD1-CZ 4.17Å; I124-F250 HydrophobicContact CG2-CE2 4.05Å; I124-F250 HydrophobicContact CG2-CZ 3.85Å; I124-F276 HydrophobicContact CG2-CZ 4.12Å
125A98.4Very high97.1Very high4 Ų430 Ų303%0.03315%0.149CC..Hα-helixtrans-58-41.6178.600000112.4E121 E123 H129 F276E121-A125 WeakPolarHBondContact O-CB 3.44Å; E121-A125 PolarHBondContact O-N 2.94Å; E123-A125 PolarHBondContact O-N 2.86Å; A125-H129 WeakPolarHBondContact O-CB 3.38Å; A125-H129 PolarHBondContact O-N 2.84Å; A125-F276 HydrophobicContact CB-CD2 4.4Å; A125-F276 HydrophobicContact CB-CE1 4.15Å; A125-F276 HydrophobicContact CB-CE2 3.83Å; A125-F276 HydrophobicContact CB-CZ 3.69Å
126A98.4Very high97.5Very high8 Ų829.8 Ų29.87%0.06615%0.151CC..Hα-helixtrans-67.6-42.1178.200000112.6V122 E123 I124 G130 V285 L286V122-A126 WeakPolarHBondContact O-CB 3.44Å; V122-A126 PolarHBondContact O-N 3.37Å; V122-A126 VanDerWaalsContact O-N 3.12Å; E123-A126 PolarHBondContact O-N 2.97Å; I124-A126 VanDerWaalsContact C-N 3.31Å; I124-A126 PolarHBondContact O-N 3.46Å; A126-G130 PolarHBondContact O-N 3Å; A126-V285 HydrophobicContact CB-CG1 4.1Å; A126-L286 HydrophobicContact CB-CD1 4.1Å; A126-L286 HydrophobicContact CB-CD2 3.78Å; A126-L286 HydrophobicContact CB-CG 3.83Å
127I98.6Very high97.9Very high0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-64-50.4175.5-66.8170.5000110.3A108 L111 L119 E123 I124 H129 G130 A131 I153 L214 L286 L289A108-I127 HydrophobicContact CB-CD1 4.46Å; L111-I127 HydrophobicContact CD1-CD1 4.46Å; L119-I127 HydrophobicContact CD1-CD1 3.63Å; E123-I127 WeakPolarHBondContact O-CG1 3.29Å; E123-I127 PolarHBondContact O-N 3.48Å; I124-I127 PolarHBondContact O-N 2.89Å; I127-H129 VanDerWaalsContact C-N 3.33Å; I127-H129 PolarHBondContact O-N 2.77Å; I127-G130 PolarHBondContact O-N 3.13Å; I127-A131 PolarHBondContact O-N 3.37Å; I127-I153 HydrophobicContact CG2-CG2 3.81Å; I127-L214 HydrophobicContact CG2-CD1 4.19Å; I127-L286 HydrophobicContact CG1-CD2 3.83Å; I127-L289 HydrophobicContact CD1-CD2 4.42Å
128T98.8Very high98.2Very high2 Ų221.1 Ų21.11%0.01211%0.113CC..Hα-helixtrans-60.5-40.3179.3-63.40000111.9I124 A131 L132 L207 C211 F253 F276 V277I124-T128 VanDerWaalsContact O-CB 3.28Å; I124-T128 WeakPolarHBondContact O-CB 3.33Å; I124-T128 PolarHBondContact O-N 3.5Å; I124-T128 PolarHBondContact O-OG1 3.23Å; T128-A131 PolarHBondContact O-N 2.84Å; T128-L132 HydrophobicContact CG2-CD1 4.38Å; T128-L132 WeakPolarHBondContact O-CB 3.38Å; T128-L132 WeakPolarHBondContact O-CG 3.28Å; T128-L132 PolarHBondContact O-N 2.81Å; T128-L207 HydrophobicContact CG2-CD1 4.33Å; T128-L207 HydrophobicContact CG2-CD2 4.17Å; T128-L207 HydrophobicContact CG2-CG 4.41Å; T128-C211 PolarHBondContact OG1-SG 3.44Å; T128-F253 HydrophobicContact CG2-CE1 3.56Å; T128-F253 HydrophobicContact CG2-CE2 4.46Å; T128-F253 HydrophobicContact CG2-CZ 3.46Å; T128-F253 VanDerWaalsContact CG2-CZ 3.46Å; T128-F276 HydrophobicContact CG2-CE1 4.3Å; T128-V277 HydrophobicContact CG2-CG1 4.15Å
129H98.6Very high98.4Very high48 Ų4820 Ų2022%0.22210%0.102CC..Hα-helixtrans-60.9-45.6175.4-178.9-100.9000111.9A125 I127 L132 H133 V277 R281A125-H129 WeakPolarHBondContact O-CB 3.38Å; A125-H129 PolarHBondContact O-N 2.84Å; I127-H129 VanDerWaalsContact C-N 3.33Å; I127-H129 PolarHBondContact O-N 2.77Å; H129-L132 PolarHBondContact O-N 2.83Å; H129-H133 AromaticContact CE1-CD2 3.5Å; H129-H133 AromaticContact CE1-NE2 3.37Å; H129-H133 PolarHBondContact CE1-NE2 3.5Å; H129-H133 AromaticContact ND1-CD2 3.89Å; H129-H133 AromaticContact NE2-CD2 3.78Å; H129-H133 AromaticContact NE2-NE2 3.46Å; H129-H133 PolarHBondContact NE2-NE2 3.37Å; H129-H133 PolarHBondContact O-CD2 3.44Å; H129-H133 PolarHBondContact O-N 3.36Å; H129-H133 VanDerWaalsContact O-N 3.17Å; H129-V277 HydrophobicContact CB-CB 4.15Å; H129-V277 HydrophobicContact CB-CG1 4.41Å; H129-R281 PolarHBondContact ND1-NH2 2.73Å
130G98.2Very high98.4Very high6 Ų624.1 Ų24.16%0.06213%0.131CC..Hα-helixtrans-63.6-43.8175.900000113N83 A126 I127 H133 G134N83-G130 VanDerWaalsContact CB-O 3.27Å; N83-G130 WeakPolarHBondContact CB-O 3.33Å; N83-G130 VanDerWaalsContact CG-O 3.3Å; A126-G130 PolarHBondContact O-N 3Å; I127-G130 PolarHBondContact O-N 3.13Å; G130-H133 PolarHBondContact O-N 3.26Å; G130-G134 PolarHBondContact O-N 3.35Å
131A98.7Very high98.4Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-61.9-43.2176.200000112.2I127 T128 H133 G134 L135 I153 L163 L207I127-A131 PolarHBondContact O-N 3.37Å; T128-A131 PolarHBondContact O-N 2.84Å; A131-H133 VanDerWaalsContact C-N 3.34Å; A131-H133 PolarHBondContact O-N 2.81Å; A131-G134 WeakPolarHBondContact O-CA 3.45Å; A131-G134 PolarHBondContact O-N 3.11Å; A131-G134 VanDerWaalsContact O-N 3.13Å; A131-L135 WeakPolarHBondContact O-CG 3.48Å; A131-L135 PolarHBondContact O-N 3.48Å; A131-I153 HydrophobicContact CB-CD1 4.07Å; A131-L163 HydrophobicContact CB-CD2 4.01Å; A131-L207 HydrophobicContact CB-CD1 4.07Å
132L98.6Very high98.3Very high0 Ų024.9 Ų24.90%014%0.142CC..Hα-helixtrans-60.7-39.3176.4-85175.8000113T128 H129 G134 L135 A136 I204 L207 F253 L271 L272 V277T128-L132 HydrophobicContact CG2-CD1 4.38Å; T128-L132 WeakPolarHBondContact O-CB 3.38Å; T128-L132 WeakPolarHBondContact O-CG 3.28Å; T128-L132 PolarHBondContact O-N 2.81Å; H129-L132 PolarHBondContact O-N 2.83Å; L132-G134 VanDerWaalsContact C-N 3.32Å; L132-L135 PolarHBondContact O-N 3.19Å; L132-A136 VanDerWaalsContact O-CB 3.3Å; L132-A136 WeakPolarHBondContact O-CB 3.24Å; L132-A136 PolarHBondContact O-N 2.99Å; L132-I204 HydrophobicContact CD2-CD1 4.23Å; L132-L207 HydrophobicContact CD2-CD2 3.44Å; L132-L207 VanDerWaalsContact CD2-CD2 3.44Å; L132-L207 HydrophobicContact CG-CD2 3.64Å; L132-F253 HydrophobicContact CD1-CE2 3.98Å; L132-F253 HydrophobicContact CD1-CZ 3.86Å; L132-L271 HydrophobicContact CD1-CB 3.94Å; L132-L271 HydrophobicContact CD2-CB 3.86Å; L132-L271 HydrophobicContact CD2-CD1 4.22Å; L132-L272 HydrophobicContact CB-CD2 3.7Å; L132-L272 HydrophobicContact CB-CG 4.17Å; L132-L272 HydrophobicContact CD1-CD2 4.47Å; L132-V277 HydrophobicContact CD1-CG1 4.09Å; L132-V277 HydrophobicContact CD1-CG2 4.36Å
133H98.7Very high98.3Very high68 Ų6823 Ų2332%0.31513%0.13SC..Hα-helixtrans-61.8-42.2174.4-91.8-76.2000111.6H81 N83 H129 G130 A131 Y137H81-H133 PolarHBondContact CE1-O 2.92Å; N83-H133 HydrophobicContact CB-CB 4.48Å; N83-H133 WeakPolarHBondContact OD1-CB 3.36Å; H129-H133 AromaticContact CE1-CD2 3.5Å; H129-H133 AromaticContact CE1-NE2 3.37Å; H129-H133 PolarHBondContact CE1-NE2 3.5Å; H129-H133 AromaticContact ND1-CD2 3.89Å; H129-H133 AromaticContact NE2-CD2 3.78Å; H129-H133 AromaticContact NE2-NE2 3.46Å; H129-H133 PolarHBondContact NE2-NE2 3.37Å; H129-H133 PolarHBondContact O-CD2 3.44Å; H129-H133 PolarHBondContact O-N 3.36Å; H129-H133 VanDerWaalsContact O-N 3.17Å; G130-H133 PolarHBondContact O-N 3.26Å; A131-H133 VanDerWaalsContact C-N 3.34Å; A131-H133 PolarHBondContact O-N 2.81Å; H133-Y137 PolarHBondContact O-N 2.87Å; H133-Y137 VanDerWaalsContact O-N 3.09Å
134G98.5Very high98.2Very high0 Ų022.6 Ų22.60%013%0.129CC..Hα-helixtrans-60.3-46.9172.600000112.4G130 A131 L132 Y137 L138G130-G134 PolarHBondContact O-N 3.35Å; A131-G134 WeakPolarHBondContact O-CA 3.45Å; A131-G134 PolarHBondContact O-N 3.11Å; A131-G134 VanDerWaalsContact O-N 3.13Å; L132-G134 VanDerWaalsContact C-N 3.32Å; G134-Y137 WeakPolarHBondContact O-CB 3.26Å; G134-Y137 PolarHBondContact O-N 2.82Å; G134-L138 WeakPolarHBondContact O-CG 3.47Å; G134-L138 PolarHBondContact O-N 3.32Å
135L98.7Very high98.2Very high0 Ų022.6 Ų22.60%013%0.129CC..Hα-helixtrans-66-40.4178.7-69.4-179.9000112.9A131 L132 Y137 L138 H139 H145 I148 L163 D203 I204 L207A131-L135 WeakPolarHBondContact O-CG 3.48Å; A131-L135 PolarHBondContact O-N 3.48Å; L132-L135 PolarHBondContact O-N 3.19Å; L135-Y137 VanDerWaalsContact C-N 3.3Å; L135-Y137 PolarHBondContact O-N 2.78Å; L135-L138 HydrophobicContact CD2-CD1 4.42Å; L135-L138 PolarHBondContact O-N 3.44Å; L135-H139 WeakPolarHBondContact O-CB 3.3Å; L135-H139 PolarHBondContact O-CD2 3.01Å; L135-H139 VanDerWaalsContact O-CD2 3.27Å; L135-H139 PolarHBondContact O-N 3.05Å; L135-H145 HydrophobicContact CD2-CB 4.39Å; L135-I148 HydrophobicContact CD2-CD1 3.82Å; L135-I148 HydrophobicContact CD2-CG1 3.99Å; L135-L163 HydrophobicContact CD2-CD1 3.92Å; L135-L163 HydrophobicContact CG-CD1 4.07Å; L135-D203 HydrophobicContact CD1-CB 4.1Å; L135-D203 HydrophobicContact CD2-CB 3.7Å; L135-I204 HydrophobicContact CD1-CD1 4.29Å; L135-L207 HydrophobicContact CD1-CB 4.39Å; L135-L207 HydrophobicContact CD1-CD2 4.23Å
136A98.7Very high98Very high20 Ų2023.3 Ų23.317%0.16513%0.131CC..Hα-helixtrans-59.9-42.5174.800000111.4L132 S140 S268 L272L132-A136 VanDerWaalsContact O-CB 3.3Å; L132-A136 WeakPolarHBondContact O-CB 3.24Å; L132-A136 PolarHBondContact O-N 2.99Å; A136-S140 WeakPolarHBondContact O-CB 3.46Å; A136-S140 PolarHBondContact O-N 3.44Å; A136-S140 PolarHBondContact O-OG 3.47Å; A136-S268 WeakPolarHBondContact CA-OG 3.32Å; A136-L272 HydrophobicContact CB-CD1 3.7Å
137Y98.6Very high97.9Very high35 Ų3523 Ų2314%0.13713%0.128CC..Hα-helixtrans-60.4-51.6173.4169.3-102.1000111.9L79 K80 H81 T84 H133 G134 L135 H139 S140 H141L79-Y137 HydrophobicContact CD2-CE1 4.18Å; K80-Y137 PolarHBondContact N-OH 3.33Å; H81-Y137 HydrophobicContact CB-CD1 3.49Å; H81-Y137 VanDerWaalsContact CB-CD1 3.49Å; H81-Y137 HydrophobicContact CB-CD2 3.93Å; H81-Y137 HydrophobicContact CB-CE1 3.67Å; H81-Y137 HydrophobicContact CB-CE2 4.11Å; H81-Y137 HydrophobicContact CB-CG 3.62Å; H81-Y137 AromaticContact CD2-CD2 3.74Å; H81-Y137 AromaticContact CD2-CG 3.64Å; H81-Y137 AromaticContact CG-CD1 3.9Å; H81-Y137 AromaticContact CG-CG 3.6Å; T84-Y137 HydrophobicContact CG2-CD1 4.15Å; T84-Y137 HydrophobicContact CG2-CE1 4.47Å; H133-Y137 PolarHBondContact O-N 2.87Å; H133-Y137 VanDerWaalsContact O-N 3.09Å; G134-Y137 WeakPolarHBondContact O-CB 3.26Å; G134-Y137 PolarHBondContact O-N 2.82Å; L135-Y137 VanDerWaalsContact C-N 3.3Å; L135-Y137 PolarHBondContact O-N 2.78Å; Y137-H139 PolarHBondContact O-N 3.07Å; Y137-S140 PolarHBondContact O-N 2.91Å; Y137-S140 PolarHBondContact O-OG 2.91Å; Y137-H141 AromaticContact CD2-CE1 3.6Å; Y137-H141 AromaticContact CD2-ND1 3.85Å; Y137-H141 AromaticContact CE2-CE1 3.27Å; Y137-H141 WeakPolarHBondContact CE2-CE1 3.21Å; Y137-H141 AromaticContact CE2-ND1 3.71Å; Y137-H141 PolarHBondContact O-N 3.11Å; Y137-H141 PolarHBondContact O-ND1 3.43Å
138L98.2Very high97.9Very high0 Ų023 Ų230%013%0.128CC..Hα-helixtrans-58.9-49.7179.9-66.4175.7000111.9F75 L79 T84 G134 L135 S140 H141 A142 L143 H145 L163 F166F75-L138 HydrophobicContact CE1-CD2 4.27Å; F75-L138 HydrophobicContact CZ-CD2 4.19Å; L79-L138 HydrophobicContact CD2-CD2 3.67Å; T84-L138 HydrophobicContact CG2-CD2 4.42Å; G134-L138 WeakPolarHBondContact O-CG 3.47Å; G134-L138 PolarHBondContact O-N 3.32Å; L135-L138 HydrophobicContact CD2-CD1 4.42Å; L135-L138 PolarHBondContact O-N 3.44Å; L138-S140 VanDerWaalsContact C-N 3.29Å; L138-S140 PolarHBondContact O-N 3.26Å; L138-H141 CarbonylContact O-C 3.53Å; L138-H141 PolarHBondContact O-N 3.45Å; L138-A142 PolarHBondContact O-N 3.1Å; L138-L143 CarbonylContact C-O 3.6Å; L138-L143 HydrophobicContact CB-CB 4.16Å; L138-L143 HydrophobicContact CD2-CB 4.31Å; L138-L143 HydrophobicContact CD2-CD1 4Å; L138-L143 WeakPolarHBondContact O-CB 3.44Å; L138-L143 PolarHBondContact O-N 3.36Å; L138-H145 HydrophobicContact CD1-CB 4.18Å; L138-L163 HydrophobicContact CD1-CD1 4.14Å; L138-F166 HydrophobicContact CD1-CE1 3.98Å; L138-F166 HydrophobicContact CD2-CE1 4.4Å
139H98.4Very high97.8Very high38 Ų3823.3 Ų23.318%0.17613%0.129CC..Hα-helixtrans-65.7-33-176.6-60.5174000112.2L135 Y137 H141 A142 L143 G200 D203 S268L135-H139 WeakPolarHBondContact O-CB 3.3Å; L135-H139 PolarHBondContact O-CD2 3.01Å; L135-H139 VanDerWaalsContact O-CD2 3.27Å; L135-H139 PolarHBondContact O-N 3.05Å; Y137-H139 PolarHBondContact O-N 3.07Å; H139-H141 PolarHBondContact O-N 3.02Å; H139-A142 PolarHBondContact O-N 3.47Å; H139-A142 VanDerWaalsContact O-N 3.08Å; H139-L143 PolarHBondContact CD2-O 2.96Å; H139-G200 PolarHBondContact CE1-O 3.45Å; H139-G200 PolarHBondContact NE2-O 3.32Å; H139-D203 IonicContact NE2-OD2 3.71Å; H139-D203 PolarHBondContact NE2-OD2 2.83Å; H139-S268 PolarHBondContact ND1-OG 2.95Å
140S97.9Very high97.6Very high88 Ų8821 Ų2162%0.61512%0.118SC*.Hα-helixtrans-65.5-19.1174.770.90000113.7A136 Y137 L138A136-S140 WeakPolarHBondContact O-CB 3.46Å; A136-S140 PolarHBondContact O-N 3.44Å; A136-S140 PolarHBondContact O-OG 3.47Å; Y137-S140 PolarHBondContact O-N 2.91Å; Y137-S140 PolarHBondContact O-OG 2.91Å; L138-S140 VanDerWaalsContact C-N 3.29Å; L138-S140 PolarHBondContact O-N 3.26Å
141H97.4Very high97.4Very high105 Ų10522 Ų2249%0.48613%0.129SC..THydrogen-bonded Turntrans-102.717.2174.8-6480.1000112.4Y137 L138 H139 L143Y137-H141 AromaticContact CD2-CE1 3.6Å; Y137-H141 AromaticContact CD2-ND1 3.85Å; Y137-H141 AromaticContact CE2-CE1 3.27Å; Y137-H141 WeakPolarHBondContact CE2-CE1 3.21Å; Y137-H141 AromaticContact CE2-ND1 3.71Å; Y137-H141 PolarHBondContact O-N 3.11Å; Y137-H141 PolarHBondContact O-ND1 3.43Å; L138-H141 CarbonylContact O-C 3.53Å; L138-H141 PolarHBondContact O-N 3.45Å; H139-H141 PolarHBondContact O-N 3.02Å; H141-L143 HydrophobicContact CB-CD1 4.15Å; H141-L143 HydrophobicContact CB-CG 4.04Å; H141-L143 PolarHBondContact O-N 3.44Å
142A96.6Very high97.3Very high46 Ų4622.6 Ų22.638%0.3813%0.132SC..THydrogen-bonded Turntrans56.527.2-175.100000114.3L138 H139 A172 S173L138-A142 PolarHBondContact O-N 3.1Å; H139-A142 PolarHBondContact O-N 3.47Å; H139-A142 VanDerWaalsContact O-N 3.08Å; A142-A172 CarbonylContact O-C 3.53Å; A142-A172 VanDerWaalsContact O-C 3.29Å; A142-S173 PolarHBondContact O-N 3.28Å
143L97Very high97.3Very high6 Ų622.7 Ų22.73%0.03113%0.132CC..  trans-96.7147.4174.9-53.6177000110.2F75 Q78 L79 L138 H139 H141 S170F75-L143 HydrophobicContact CE2-CB 4.07Å; F75-L143 HydrophobicContact CE2-CD1 4.21Å; F75-L143 HydrophobicContact CE2-CD2 3.9Å; F75-L143 HydrophobicContact CE2-CG 4.28Å; F75-L143 HydrophobicContact CZ-CB 3.94Å; F75-L143 HydrophobicContact CZ-CD1 3.94Å; F75-L143 HydrophobicContact CZ-CD2 4.43Å; F75-L143 HydrophobicContact CZ-CG 4.33Å; Q78-L143 HydrophobicContact CG-CD1 4.27Å; L79-L143 HydrophobicContact CD2-CD1 3.87Å; L138-L143 CarbonylContact C-O 3.6Å; L138-L143 HydrophobicContact CB-CB 4.16Å; L138-L143 HydrophobicContact CD2-CB 4.31Å; L138-L143 HydrophobicContact CD2-CD1 4Å; L138-L143 WeakPolarHBondContact O-CB 3.44Å; L138-L143 PolarHBondContact O-N 3.36Å; H139-L143 PolarHBondContact CD2-O 2.96Å; H141-L143 HydrophobicContact CB-CD1 4.15Å; H141-L143 HydrophobicContact CB-CG 4.04Å; H141-L143 PolarHBondContact O-N 3.44Å; L143-S170 WeakPolarHBondContact CA-O 3.26Å
144I97.7Very high97.2Very high0 Ų021.1 Ų21.10%013%0.126CC..BIsolated β-bridgetrans-128.6131.2176.7-45.8172.9000108.4R146 A169 S170 A175 Y198 V202 D203I144-R146 HydrophobicContact CB-CG 3.96Å; I144-R146 HydrophobicContact CG2-CG 3.43Å; I144-R146 VanDerWaalsContact CG2-CG 3.43Å; I144-A169 CarbonylContact O-C 3.57Å; I144-A169 VanDerWaalsContact O-CA 3.24Å; I144-A169 WeakPolarHBondContact O-CA 3.47Å; I144-A169 WeakPolarHBondContact O-CB 3.38Å; I144-S170 PolarHBondContact N-O 3.38Å; I144-S170 VanDerWaalsContact N-O 3.15Å; I144-S170 PolarHBondContact O-N 3.11Å; I144-A175 HydrophobicContact CD1-CB 4.01Å; I144-Y198 HydrophobicContact CD1-CD2 4.42Å; I144-Y198 HydrophobicContact CD1-CE2 4.39Å; I144-V202 HydrophobicContact CG2-CG2 3.6Å; I144-D203 WeakPolarHBondContact CG2-OD2 3.32Å
145H97.3Very high97.2Very high0 Ų021.2 Ų21.20%013%0.126CC..  trans-75.6-45.4-179.5-170.6-54.7000112.6L135 L138 D147 I148 A164 D165 F166 A169 D203L135-H145 HydrophobicContact CD2-CB 4.39Å; L138-H145 HydrophobicContact CD1-CB 4.18Å; H145-D147 PolarHBondContact ND1-N 3.38Å; H145-D147 PolarHBondContact O-N 3.48Å; H145-I148 HydrophobicContact CB-CD1 4.03Å; H145-I148 HydrophobicContact CB-CG1 4.18Å; H145-I148 VanDerWaalsContact CD2-CD1 3.47Å; H145-I148 WeakPolarHBondContact CD2-CD1 3.46Å; H145-A164 PolarHBondContact CE1-O 3.11Å; H145-A164 PolarHBondContact NE2-O 3.37Å; H145-A164 VanDerWaalsContact NE2-O 3.07Å; H145-D165 PolarHBondContact CE1-O 3.35Å; H145-F166 AromaticContact CD2-CD1 3.96Å; H145-F166 AromaticContact CD2-CE1 3.6Å; H145-F166 AromaticContact NE2-CE1 3.98Å; H145-A169 WeakPolarHBondContact O-CA 3.44Å; H145-D203 WeakPolarHBondContact CB-OD2 3.38Å; H145-D203 PolarHBondContact N-OD2 3.31Å
146R95.4Very high97Very high19 Ų1921.6 Ų21.67%0.07213%0.129CC..  trans63.89.2177.3-51.5-171.7-68.7-178-2.6117.1I144 S168 A169 S177 V179 G180 Y198 D203I144-R146 HydrophobicContact CB-CG 3.96Å; I144-R146 HydrophobicContact CG2-CG 3.43Å; I144-R146 VanDerWaalsContact CG2-CG 3.43Å; R146-S168 PolarHBondContact NE-O 3.02Å; R146-S168 PolarHBondContact NH2-O 3.47Å; R146-A169 PolarHBondContact NH2-O 2.99Å; R146-S177 VanDerWaalsContact NH1-CB 3.33Å; R146-S177 PolarHBondContact NH1-OG 3.43Å; R146-V179 HydrophobicContact CB-CG2 3.93Å; R146-V179 HydrophobicContact CG-CG2 4.38Å; R146-V179 VanDerWaalsContact NE-CG2 3.31Å; R146-G180 WeakPolarHBondContact O-CA 3.49Å; R146-Y198 VanDerWaalsContact CD-OH 3.29Å; R146-Y198 WeakPolarHBondContact CD-OH 3.35Å; R146-Y198 HydrophobicContact CG-CE2 4.38Å; R146-Y198 PolarHBondContact NH1-OH 3.33Å; R146-D203 WeakPolarHBondContact CA-OD1 3.4Å; R146-D203 PolarHBondContact N-OD1 2.97Å
147D95.2Very high96.7Very high2 Ų224.7 Ų24.71%0.01114%0.14CC..  trans-151.746.5178.3-159.841.3000112.3H145 K149 N152 T181H145-D147 PolarHBondContact ND1-N 3.38Å; H145-D147 PolarHBondContact O-N 3.48Å; D147-K149 PolarHBondContact O-N 2.88Å; D147-K149 IonicContact OD1-NZ 2.64Å; D147-K149 IonicContact OD2-NZ 3.55Å; D147-K149 PolarHBondContact OD2-NZ 3.46Å; D147-N152 PolarHBondContact O-ND2 3.46Å; D147-N152 PolarHBondContact OD2-ND2 2.89Å; D147-T181 WeakPolarHBondContact OD1-CB 3.28Å; D147-T181 PolarHBondContact OD1-N 2.89Å; D147-T181 PolarHBondContact OD1-OG1 3.44Å
148I98.3Very high96.5Very high0 Ų027.5 Ų27.50%016%0.163CC..  trans-74.2123.3174.2-62.4-64.9000109.7L135 H145 I153 L163 D203 S206 L207L135-I148 HydrophobicContact CD2-CD1 3.82Å; L135-I148 HydrophobicContact CD2-CG1 3.99Å; H145-I148 HydrophobicContact CB-CD1 4.03Å; H145-I148 HydrophobicContact CB-CG1 4.18Å; H145-I148 VanDerWaalsContact CD2-CD1 3.47Å; H145-I148 WeakPolarHBondContact CD2-CD1 3.46Å; I148-I153 HydrophobicContact CG2-CD1 4.48Å; I148-L163 HydrophobicContact CD1-CD1 4.34Å; I148-L163 HydrophobicContact CD1-CD2 3.87Å; I148-D203 HydrophobicContact CG1-CB 4.17Å; I148-S206 WeakPolarHBondContact O-CB 3.38Å; I148-L207 HydrophobicContact CG2-CB 4.33Å; I148-L207 HydrophobicContact CG2-CD1 4.44Å
149K96.5Very high96.3Very high8 Ų828.1 Ų28.14%0.03517%0.169CC..SBendtrans-159.6163.4177.163.2-163.7-175.8-1460109.1D147 G151 N152 I153 T181 W184 T210 T357D147-K149 PolarHBondContact O-N 2.88Å; D147-K149 IonicContact OD1-NZ 2.64Å; D147-K149 IonicContact OD2-NZ 3.55Å; D147-K149 PolarHBondContact OD2-NZ 3.46Å; K149-G151 PolarHBondContact O-N 2.95Å; K149-G151 VanDerWaalsContact O-N 3.1Å; K149-N152 WeakPolarHBondContact CE-ND2 3.45Å; K149-N152 HydrophobicContact CG-CB 4.13Å; K149-N152 PolarHBondContact O-N 3.42Å; K149-I153 PolarHBondContact O-N 3.27Å; K149-T181 PolarHBondContact NZ-OG1 3.23Å; K149-T181 VanDerWaalsContact NZ-OG1 3.11Å; K149-W184 HydrophobicContact CB-CD2 3.97Å; K149-W184 HydrophobicContact CB-CG 4.14Å; K149-W184 HydrophobicContact CB-CZ2 4.06Å; K149-T210 WeakPolarHBondContact CA-OG1 3.38Å; K149-T357 PolarHBondContact NZ-O 3.45Å; K149-T357 PolarHBondContact NZ-OG1 2.9Å
150A95.9Very high96.2Very high0 Ų030 Ų300%018%0.178CC..G310 helixtrans-60.1-27.3-178.100000113.2A108 S109 N152 T210 E213 L214A108-A150 HydrophobicContact CB-CB 4.14Å; A108-A150 PolarHBondContact N-O 2.91Å; S109-A150 PolarHBondContact N-O 3.46Å; S109-A150 VanDerWaalsContact N-O 3.14Å; A150-N152 VanDerWaalsContact C-N 3.28Å; A150-N152 PolarHBondContact O-N 2.81Å; A150-T210 HydrophobicContact CB-CG2 4.22Å; A150-E213 HydrophobicContact CB-CG 4.21Å; A150-E213 WeakPolarHBondContact CB-OE1 3.47Å; A150-E213 VanDerWaalsContact CB-OE2 3.23Å; A150-E213 WeakPolarHBondContact CB-OE2 3.36Å; A150-E213 PolarHBondContact N-OE2 3.38Å; A150-L214 HydrophobicContact CB-CD2 3.93Å
151G92.9Very high96.3Very high27 Ų2726 Ų2628%0.27815%0.15SC..G310 helixtrans-67.1-24.1174.700000114.7S107 K149S107-G151 WeakPolarHBondContact CB-O 3.27Å; K149-G151 PolarHBondContact O-N 2.95Å; K149-G151 VanDerWaalsContact O-N 3.1Å
152N96.3Very high96.3Very high13 Ų1321.6 Ų21.67%0.0713%0.129CC..G310 helixtrans-103.96.7-177.7-70.4-4.5000112.8D147 K149 A150 A164D147-N152 PolarHBondContact O-ND2 3.46Å; D147-N152 PolarHBondContact OD2-ND2 2.89Å; K149-N152 WeakPolarHBondContact CE-ND2 3.45Å; K149-N152 HydrophobicContact CG-CB 4.13Å; K149-N152 PolarHBondContact O-N 3.42Å; A150-N152 VanDerWaalsContact C-N 3.28Å; A150-N152 PolarHBondContact O-N 2.81Å; N152-A164 PolarHBondContact O-N 3.38Å
153I98.3Very high96.4Very high1 Ų119.4 Ų19.41%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-109.2110.2172.5-58.3175000107.5S107 A108 I127 A131 I148 K149 V161 L163 T210S107-I153 CarbonylContact C-O 3.29Å; S107-I153 WeakPolarHBondContact CA-O 3.28Å; A108-I153 HydrophobicContact CB-CB 4.48Å; A108-I153 PolarHBondContact N-O 3.03Å; I127-I153 HydrophobicContact CG2-CG2 3.81Å; A131-I153 HydrophobicContact CB-CD1 4.07Å; I148-I153 HydrophobicContact CG2-CD1 4.48Å; K149-I153 PolarHBondContact O-N 3.27Å; I153-V161 HydrophobicContact CG2-CG1 3.52Å; I153-L163 HydrophobicContact CG1-CD2 4.12Å; I153-T210 HydrophobicContact CD1-CG2 3.87Å
154L97.9Very high96.3Very high36 Ų3619.6 Ų19.619%0.18811%0.113CC..EExtended strand (participates in β ladder)trans-100.9152.8-175.5-51.3-175.1000111.6I85 C104 G106 V161 K162 A164I85-L154 HydrophobicContact CD1-CD1 4.16Å; C104-L154 HydrophobicContact CB-CB 3.75Å; C104-L154 HydrophobicContact CB-CD1 4.08Å; G106-L154 WeakPolarHBondContact O-CA 3.36Å; L154-V161 CarbonylContact O-C 3.55Å; L154-V161 WeakPolarHBondContact O-CA 3.46Å; L154-K162 HydrophobicContact CB-CB 4.36Å; L154-K162 PolarHBondContact N-O 3.42Å; L154-K162 PolarHBondContact O-N 3.37Å; L154-A164 HydrophobicContact CD1-CB 3.5Å; L154-A164 VanDerWaalsContact CD1-CB 3.5Å; L154-A164 HydrophobicContact CG-CB 3.73Å
155L97.5Very high95.9Very high1 Ų121.2 Ų21.21%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-116.6125.9171.9-70.582.9000109.6C104 L105 G106 A108 L111 L286 I290C104-L155 WeakPolarHBondContact CB-O 3.38Å; L105-L155 WeakPolarHBondContact CB-O 3.29Å; L105-L155 PolarHBondContact N-O 3.45Å; G106-L155 PolarHBondContact O-N 2.95Å; A108-L155 HydrophobicContact CB-CD1 4.29Å; L111-L155 HydrophobicContact CD1-CD1 3.84Å; L111-L155 HydrophobicContact CD1-CD2 4.01Å; L155-L286 HydrophobicContact CD2-CD2 4.24Å; L155-I290 HydrophobicContact CB-CD1 4.45Å; L155-I290 HydrophobicContact CD2-CD1 4.42Å; L155-I290 HydrophobicContact CD2-CG1 4.38Å
156T95.8Very high95.6Very high9 Ų921.4 Ų21.46%0.05512%0.123CC..  trans-75.1159.3167.161.30000110P158 G159 Q160 K162 I290T156-P158 VanDerWaalsContact C-N 3.35Å; T156-G159 PolarHBondContact O-N 2.86Å; T156-Q160 PolarHBondContact N-O 3.16Å; T156-Q160 WeakPolarHBondContact OG1-CA 3.32Å; T156-Q160 VanDerWaalsContact OG1-CB 3.23Å; T156-Q160 WeakPolarHBondContact OG1-CB 3.44Å; T156-Q160 PolarHBondContact OG1-N 3.38Å; T156-Q160 PolarHBondContact OG1-O 3.43Å; T156-Q160 VanDerWaalsContact OG1-O 3.09Å; T156-K162 HydrophobicContact CG2-CG 3.94Å; T156-I290 WeakPolarHBondContact O-CD1 3.42Å
157E91.5Very high95.1Very high85 Ų8521.3 Ų21.340%0.39713%0.128SC..THydrogen-bonded Turntrans-58.6-36.5-179.9-166.4-113.6-17300114.1L105 G159 K294L105-E157 HydrophobicContact CD1-CG 4.4Å; E157-G159 PolarHBondContact O-N 2.86Å; E157-G159 VanDerWaalsContact O-N 3.12Å; E157-K294 IonicContact OE1-NZ 3.81Å; E157-K294 PolarHBondContact OE1-NZ 2.84Å; E157-K294 VanDerWaalsContact OE1-NZ 3.15Å
158P93.7Very high94.7Very high94 Ų9421.5 Ų21.561%0.6113%0.129SC*.THydrogen-bonded Turntrans-71.21.9172.3-21.635.4000115.5T156T156-P158 VanDerWaalsContact C-N 3.35Å
159G94.3Very high94.4Very high12 Ų1222.3 Ų22.312%0.12414%0.136CC..SBendtrans86.719.5179.100000115.2T156 E157 L286T156-G159 PolarHBondContact O-N 2.86Å; E157-G159 PolarHBondContact O-N 2.86Å; E157-G159 VanDerWaalsContact O-N 3.12Å; G159-L286 WeakPolarHBondContact O-CD1 3.49Å
160Q97.7Very high94.2Very high78 Ų7822.7 Ų22.736%0.36414%0.14SC..  trans-86.7132.2172.8-168174.242.700111.2P82 T156P82-Q160 VanDerWaalsContact CB-NE2 3.3Å; P82-Q160 PolarHBondContact O-NE2 2.96Å; T156-Q160 PolarHBondContact N-O 3.16Å; T156-Q160 WeakPolarHBondContact OG1-CA 3.32Å; T156-Q160 VanDerWaalsContact OG1-CB 3.23Å; T156-Q160 WeakPolarHBondContact OG1-CB 3.44Å; T156-Q160 PolarHBondContact OG1-N 3.38Å; T156-Q160 PolarHBondContact OG1-O 3.43Å; T156-Q160 VanDerWaalsContact OG1-O 3.09Å
161V98.4Very high94Very high5 Ų527.7 Ų27.73%0.0316%0.164CC..EExtended strand (participates in β ladder)trans-85.2134.2177.7-178.90000110.5N83 I153 L154 L286N83-V161 WeakPolarHBondContact CA-O 3.46Å; N83-V161 PolarHBondContact ND2-O 3.4Å; I153-V161 HydrophobicContact CG2-CG1 3.52Å; L154-V161 CarbonylContact O-C 3.55Å; L154-V161 WeakPolarHBondContact O-CA 3.46Å; V161-L286 HydrophobicContact CG2-CD1 3.67Å
162K98.4Very high93.8Very high12 Ų1229 Ų295%0.05217%0.172CC..EExtended strand (participates in β ladder)trans-131.6127.8-177-59.6-75-178.1154.40111P82 I85 E102 L154 T156P82-K162 WeakPolarHBondContact O-CD 3.32Å; P82-K162 WeakPolarHBondContact O-CE 3.44Å; P82-K162 PolarHBondContact O-NZ 3.4Å; I85-K162 HydrophobicContact CD1-CB 4.21Å; I85-K162 HydrophobicContact CD1-CG 4.43Å; E102-K162 WeakPolarHBondContact OE1-CD 3.24Å; E102-K162 WeakPolarHBondContact OE1-CE 3.45Å; E102-K162 IonicContact OE1-NZ 3.73Å; E102-K162 PolarHBondContact OE1-NZ 3.3Å; E102-K162 WeakPolarHBondContact OE2-CE 3.42Å; E102-K162 IonicContact OE2-NZ 3.72Å; E102-K162 PolarHBondContact OE2-NZ 3.14Å; E102-K162 VanDerWaalsContact OE2-NZ 3.16Å; L154-K162 HydrophobicContact CB-CB 4.36Å; L154-K162 PolarHBondContact N-O 3.42Å; L154-K162 PolarHBondContact O-N 3.37Å; T156-K162 HydrophobicContact CG2-CG 3.94Å
163L98.3Very high93.5Very high0 Ų030.5 Ų30.50%018%0.184CC..EExtended strand (participates in β ladder)trans-73.6134.7164.5-61-177.3000109.7N83 I85 A131 L135 L138 I148 I153 F166N83-L163 PolarHBondContact O-N 3.21Å; I85-L163 PolarHBondContact N-O 2.84Å; A131-L163 HydrophobicContact CB-CD2 4.01Å; L135-L163 HydrophobicContact CD2-CD1 3.92Å; L135-L163 HydrophobicContact CG-CD1 4.07Å; L138-L163 HydrophobicContact CD1-CD1 4.14Å; I148-L163 HydrophobicContact CD1-CD1 4.34Å; I148-L163 HydrophobicContact CD1-CD2 3.87Å; I153-L163 HydrophobicContact CG1-CD2 4.12Å; L163-F166 HydrophobicContact CB-CZ 4.2Å
164A94.4Very high93.1Very high9 Ų933.9 Ų33.97%0.07421%0.206CC..  trans-138.1173.3-178.400000111.9I85 H145 N152 L154I85-A164 HydrophobicContact CB-CB 4.3Å; I85-A164 HydrophobicContact CG2-CB 4.47Å; H145-A164 PolarHBondContact CE1-O 3.11Å; H145-A164 PolarHBondContact NE2-O 3.37Å; H145-A164 VanDerWaalsContact NE2-O 3.07Å; N152-A164 PolarHBondContact O-N 3.38Å; L154-A164 HydrophobicContact CD1-CB 3.5Å; L154-A164 VanDerWaalsContact CD1-CB 3.5Å; L154-A164 HydrophobicContact CG-CB 3.73Å
165D89.3Confident92.7Very high35 Ų3532.6 Ų32.619%0.18720%0.2CC..  trans60.576.5-178.8-159.521.6000114.6K53 H145 G167K53-D165 IonicContact NZ-OD1 3.46Å; K53-D165 PolarHBondContact NZ-OD1 2.86Å; H145-D165 PolarHBondContact CE1-O 3.35Å; D165-G167 VanDerWaalsContact C-N 3.29Å; D165-G167 PolarHBondContact O-N 2.92Å
166F91.9Very high92Very high4 Ų437.5 Ų37.52%0.01823%0.227CC..G310 helixtrans-89.615.5-179.8-62-81.6000113.6F75 L76 L79 T84 I85 L138 H145 L163 S168 A169F75-F166 HydrophobicContact CD1-CB 3.61Å; F75-F166 AromaticContact CD1-CD1 3.73Å; F75-F166 HydrophobicContact CD1-CD1 3.73Å; F75-F166 AromaticContact CD1-CG 3.71Å; F75-F166 HydrophobicContact CD1-CG 3.71Å; F75-F166 HydrophobicContact CE1-CB 3.98Å; F75-F166 AromaticContact CE1-CD1 3.18Å; F75-F166 HydrophobicContact CE1-CD1 3.18Å; F75-F166 AromaticContact CE1-CE1 3.76Å; F75-F166 HydrophobicContact CE1-CE1 3.76Å; F75-F166 AromaticContact CE1-CG 3.69Å; F75-F166 HydrophobicContact CE1-CG 3.69Å; F75-F166 HydrophobicContact CG-CB 4.32Å; F75-F166 HydrophobicContact CZ-CD1 4.01Å; L76-F166 HydrophobicContact CD2-CD2 3.42Å; L76-F166 VanDerWaalsContact CD2-CD2 3.42Å; L76-F166 HydrophobicContact CD2-CE2 3.84Å; L76-F166 HydrophobicContact CD2-CG 4.37Å; L76-F166 HydrophobicContact CG-CD2 4.13Å; L79-F166 HydrophobicContact CD1-CD1 4.3Å; L79-F166 HydrophobicContact CD1-CD2 4.08Å; L79-F166 HydrophobicContact CD1-CE1 3.91Å; L79-F166 HydrophobicContact CD1-CE2 3.68Å; L79-F166 HydrophobicContact CD1-CG 4.36Å; L79-F166 HydrophobicContact CD1-CZ 3.58Å; T84-F166 HydrophobicContact CG2-CZ 4.3Å; I85-F166 HydrophobicContact CG2-CD2 4.48Å; I85-F166 HydrophobicContact CG2-CE2 3.93Å; L138-F166 HydrophobicContact CD1-CE1 3.98Å; L138-F166 HydrophobicContact CD2-CE1 4.4Å; H145-F166 AromaticContact CD2-CD1 3.96Å; H145-F166 AromaticContact CD2-CE1 3.6Å; H145-F166 AromaticContact NE2-CE1 3.98Å; L163-F166 HydrophobicContact CB-CZ 4.2Å; F166-S168 PolarHBondContact O-N 3.44Å; F166-S168 VanDerWaalsContact O-N 3.15Å; F166-A169 HydrophobicContact CB-CB 4.06Å; F166-A169 HydrophobicContact CD1-CB 4.24Å; F166-A169 VanDerWaalsContact O-CB 3.3Å; F166-A169 WeakPolarHBondContact O-CB 3.29Å; F166-A169 PolarHBondContact O-N 2.91Å
167G85.3Confident91.3Very high17 Ų1738.1 Ų38.118%0.17523%0.231CC..G310 helixtrans-60.9-23.5179.700000114D165D165-G167 VanDerWaalsContact C-N 3.29Å; D165-G167 PolarHBondContact O-N 2.92Å
168S87.1Confident90.9Very high5 Ų535.4 Ų35.44%0.03522%0.218CC..G310 helixtrans-97.9-3.2176.3-56.60000113.7R146 F166 S359R146-S168 PolarHBondContact NE-O 3.02Å; R146-S168 PolarHBondContact NH2-O 3.47Å; F166-S168 PolarHBondContact O-N 3.44Å; F166-S168 VanDerWaalsContact O-N 3.15Å; S168-S359 WeakPolarHBondContact OG-CB 3.28Å
169A91.3Very high90.4Very high18 Ų1831.4 Ų31.415%0.14919%0.192CC..  trans-68.4157-168.100000113F75 I144 H145 R146 F166F75-A169 HydrophobicContact CD1-CB 4.17Å; F75-A169 HydrophobicContact CD2-CB 3.67Å; F75-A169 HydrophobicContact CE1-CB 3.91Å; F75-A169 HydrophobicContact CE2-CB 3.37Å; F75-A169 HydrophobicContact CG-CB 4.06Å; F75-A169 HydrophobicContact CZ-CB 3.5Å; I144-A169 CarbonylContact O-C 3.57Å; I144-A169 VanDerWaalsContact O-CA 3.24Å; I144-A169 WeakPolarHBondContact O-CA 3.47Å; I144-A169 WeakPolarHBondContact O-CB 3.38Å; H145-A169 WeakPolarHBondContact O-CA 3.44Å; R146-A169 PolarHBondContact NH2-O 2.99Å; F166-A169 HydrophobicContact CB-CB 4.06Å; F166-A169 HydrophobicContact CD1-CB 4.24Å; F166-A169 VanDerWaalsContact O-CB 3.3Å; F166-A169 WeakPolarHBondContact O-CB 3.29Å; F166-A169 PolarHBondContact O-N 2.91Å
170S92.6Very high89.9Confident16 Ų1631.3 Ų31.311%0.11219%0.191CC..BIsolated β-bridgetrans-110.1132.1174.1-1710000110L143 I144 A172L143-S170 WeakPolarHBondContact CA-O 3.26Å; I144-S170 PolarHBondContact N-O 3.38Å; I144-S170 VanDerWaalsContact N-O 3.15Å; I144-S170 PolarHBondContact O-N 3.11Å; S170-A172 WeakPolarHBondContact CB-O 3.36Å; S170-A172 PolarHBondContact O-N 3.33Å; S170-A172 PolarHBondContact OG-N 2.81Å; S170-A172 PolarHBondContact OG-O 2.91Å
171M90.3Very high89.3Confident105 Ų10527.8 Ų27.852%0.51718%0.175SC..SBendtrans-80.21.7171.3-63.3-169.8-6100113.2F75F75-M171 HydrophobicContact CD2-CG 3.89Å
172A89.4Confident88.7Confident54 Ų5428.4 Ų28.445%0.44618%0.179SC..SBendtrans-140.7147.8-179.600000111.5A142 S170A142-A172 CarbonylContact O-C 3.53Å; A142-A172 VanDerWaalsContact O-C 3.29Å; S170-A172 WeakPolarHBondContact CB-O 3.36Å; S170-A172 PolarHBondContact O-N 3.33Å; S170-A172 PolarHBondContact OG-N 2.81Å; S170-A172 PolarHBondContact OG-O 2.91Å
173S90.1Very high88.4Confident44 Ų4429.3 Ų29.331%0.30818%0.182SC..SBendtrans-134.5125.7171179.40000108.1A142A142-S173 PolarHBondContact O-N 3.28Å
174P90.7Very high88.4Confident73 Ų7329.7 Ų29.747%0.47418%0.184SC..SBendcis-72.8157.64.6-17.132000114.5Q197 Y198P174-Q197 HydrophobicContact CB-CB 3.81Å; P174-Q197 HydrophobicContact CB-CG 4.33Å; P174-Y198 CarbonylContact C-O 3.51Å; P174-Y198 VanDerWaalsContact CA-O 3.28Å; P174-Y198 WeakPolarHBondContact CA-O 3.42Å
175A88.6Confident88.4Confident9 Ų929.6 Ų29.67%0.07418%0.182CC..BIsolated β-bridgetrans-121.9164.4173.500000111I144 Q197 Y198I144-A175 HydrophobicContact CD1-CB 4.01Å; A175-Q197 CarbonylContact O-C 3.59Å; A175-Q197 WeakPolarHBondContact O-CA 3.49Å; A175-Y198 HydrophobicContact CB-CD2 4.34Å; A175-Y198 HydrophobicContact CB-CE2 3.69Å; A175-Y198 PolarHBondContact N-O 2.92Å; A175-Y198 WeakPolarHBondContact O-CD1 3.37Å; A175-Y198 PolarHBondContact O-N 2.92Å
176N83.8Confident88.7Confident104 Ų10428 Ų2856%0.55617%0.173SC*.  trans-134.31.7-177.261.76.6000113.5G196N176-G196 WeakPolarHBondContact CB-O 3.48Å
177S80.8Confident88.7Confident22 Ų2228 Ų2815%0.15417%0.174CC..  trans-76.9135.7-172.6-19.50000110.8R146 V179 Y198R146-S177 VanDerWaalsContact NH1-CB 3.33Å; R146-S177 PolarHBondContact NH1-OG 3.43Å; S177-V179 PolarHBondContact O-N 3.46Å; S177-V179 VanDerWaalsContact O-N 3.11Å; S177-Y198 PolarHBondContact N-OH 2.87Å; S177-Y198 WeakPolarHBondContact O-CE1 3.44Å; S177-Y198 PolarHBondContact O-OH 3.39Å
178F82.1Confident88.9Confident28 Ų2828.1 Ų28.112%0.12317%0.17CC..  trans-80.592.2173-175.1-101000111.1M185 M193 L230 M461 K465F178-M185 HydrophobicContact CD2-CE 3.74Å; F178-M185 HydrophobicContact CE1-CE 4.39Å; F178-M185 HydrophobicContact CE2-CE 3.33Å; F178-M185 HydrophobicContact CE2-SD 4.44Å; F178-M185 HydrophobicContact CG-CE 4.43Å; F178-M185 HydrophobicContact CZ-CE 3.69Å; F178-M185 HydrophobicContact CZ-SD 4.29Å; F178-M193 HydrophobicContact CB-CG 4.21Å; F178-M193 HydrophobicContact CD2-CE 4.5Å; F178-M193 HydrophobicContact CD2-CG 3.42Å; F178-M193 VanDerWaalsContact CD2-CG 3.42Å; F178-M193 HydrophobicContact CD2-SD 3.62Å; F178-M193 HydrophobicContact CE1-SD 4.49Å; F178-M193 HydrophobicContact CE2-CG 3.96Å; F178-M193 HydrophobicContact CE2-SD 3.56Å; F178-M193 VanDerWaalsContact CE2-SD 3.56Å; F178-M193 HydrophobicContact CG-CE 4.44Å; F178-M193 HydrophobicContact CG-CG 3.91Å; F178-M193 HydrophobicContact CG-SD 4.13Å; F178-M193 HydrophobicContact CZ-SD 4.03Å; F178-L230 HydrophobicContact CE2-CD2 4.46Å; F178-L230 HydrophobicContact CZ-CD1 3.81Å; F178-L230 HydrophobicContact CZ-CD2 4.1Å; F178-M461 HydrophobicContact CE1-CE 3.64Å; F178-M461 HydrophobicContact CZ-CE 4.25Å; F178-K465 VanDerWaalsContact O-CE 3.28Å; F178-K465 WeakPolarHBondContact O-CE 3.42Å; F178-K465 PolarHBondContact O-NZ 3.29Å
179V83.4Confident89Confident9 Ų928.2 Ų28.26%0.05517%0.17CC..  trans-139.6162.2-178.4-60.30000111.5R146 S177 M185R146-V179 HydrophobicContact CB-CG2 3.93Å; R146-V179 HydrophobicContact CG-CG2 4.38Å; R146-V179 VanDerWaalsContact NE-CG2 3.31Å; S177-V179 PolarHBondContact O-N 3.46Å; S177-V179 VanDerWaalsContact O-N 3.11Å; V179-M185 WeakPolarHBondContact O-CE 3.39Å
180G84.3Confident88.7Confident10 Ų1028.1 Ų28.110%0.10317%0.167CC..SBendtrans117.4170-178.700000112.4R146R146-G180 WeakPolarHBondContact O-CA 3.49Å
181T85Confident87.9Confident4 Ų432.6 Ų32.63%0.02519%0.189CC..  trans-85.2120.7176.1-57.20000110.5D147 K149 Y183 W184 M185 T357D147-T181 WeakPolarHBondContact OD1-CB 3.28Å; D147-T181 PolarHBondContact OD1-N 2.89Å; D147-T181 PolarHBondContact OD1-OG1 3.44Å; K149-T181 PolarHBondContact NZ-OG1 3.23Å; K149-T181 VanDerWaalsContact NZ-OG1 3.11Å; T181-Y183 VanDerWaalsContact C-N 3.35Å; T181-Y183 PolarHBondContact O-N 3.45Å; T181-W184 HydrophobicContact CG2-CE3 3.45Å; T181-W184 VanDerWaalsContact CG2-CE3 3.45Å; T181-W184 HydrophobicContact CG2-CZ3 3.42Å; T181-W184 VanDerWaalsContact CG2-CZ3 3.42Å; T181-W184 PolarHBondContact O-N 3.37Å; T181-M185 WeakPolarHBondContact O-CG 3.28Å; T181-M185 PolarHBondContact O-N 2.97Å; T181-T357 HydrophobicContact CG2-CG2 4.31Å; T181-T357 VanDerWaalsContact CG2-OG1 3.26Å; T181-T357 WeakPolarHBondContact CG2-OG1 3.4Å; T181-T357 PolarHBondContact OG1-OG1 3.37Å
182P86.8Confident86.9Confident19 Ų1928 Ų2812%0.12317%0.167CC..G310 helixtrans-42.4-48.3-166.6-35.536.2000116.9W184 M185 A226 L230 I233P182-W184 VanDerWaalsContact C-N 3.26Å; P182-W184 PolarHBondContact O-N 3.46Å; P182-M185 PolarHBondContact O-N 3.01Å; P182-A226 HydrophobicContact CB-CB 3.99Å; P182-A226 HydrophobicContact CG-CB 3.79Å; P182-L230 HydrophobicContact CB-CD2 4.09Å; P182-L230 HydrophobicContact CB-CG 4.11Å; P182-I233 VanDerWaalsContact O-CD1 3.25Å; P182-I233 WeakPolarHBondContact O-CD1 3.34Å
183Y91.6Very high85.4Confident30 Ų3027.6 Ų27.612%0.11816%0.157CC..G310 helixtrans-69.6-19.2-175.2-46.8-80.7000114.2T181 P219 L221 F222 M224 A229T181-Y183 VanDerWaalsContact C-N 3.35Å; T181-Y183 PolarHBondContact O-N 3.45Å; Y183-P219 HydrophobicContact CG-CG 4.38Å; Y183-L221 WeakPolarHBondContact CE1-O 3.05Å; Y183-F222 HydrophobicContact CD2-CD2 4.4Å; Y183-F222 HydrophobicContact CE2-CD2 4.39Å; Y183-M224 PolarHBondContact OH-O 3.04Å; Y183-A229 HydrophobicContact CD1-CB 3.63Å; Y183-A229 HydrophobicContact CE1-CB 3.6Å
184W97.3Very high83.3Confident8 Ų830.3 Ų30.33%0.0317%0.168CC..G310 helixtrans-103-3.8177.9-66.7-104.6000112.7K149 T181 P182 S206 I209 E213 P219K149-W184 HydrophobicContact CB-CD2 3.97Å; K149-W184 HydrophobicContact CB-CG 4.14Å; K149-W184 HydrophobicContact CB-CZ2 4.06Å; T181-W184 HydrophobicContact CG2-CE3 3.45Å; T181-W184 VanDerWaalsContact CG2-CE3 3.45Å; T181-W184 HydrophobicContact CG2-CZ3 3.42Å; T181-W184 VanDerWaalsContact CG2-CZ3 3.42Å; T181-W184 PolarHBondContact O-N 3.37Å; P182-W184 VanDerWaalsContact C-N 3.26Å; P182-W184 PolarHBondContact O-N 3.46Å; W184-S206 WeakPolarHBondContact O-CA 3.48Å; W184-S206 WeakPolarHBondContact O-CB 3.35Å; W184-S206 PolarHBondContact O-OG 3.24Å; W184-I209 HydrophobicContact CB-CG2 4.39Å; W184-I209 VanDerWaalsContact CD1-CG2 3.43Å; W184-I209 HydrophobicContact CD2-CG2 4.37Å; W184-I209 HydrophobicContact CG-CB 4.31Å; W184-I209 HydrophobicContact CG-CG2 3.81Å; W184-E213 HydrophobicContact CZ2-CG 4.45Å; W184-E213 WeakPolarHBondContact CZ2-OE2 3.34Å; W184-E213 PolarHBondContact NE1-OE2 2.84Å; W184-E213 VanDerWaalsContact NE1-OE2 3.12Å; W184-P219 HydrophobicContact CD2-CB 4.39Å; W184-P219 HydrophobicContact CH2-CB 4.31Å; W184-P219 HydrophobicContact CH2-CG 3.56Å; W184-P219 HydrophobicContact CZ2-CB 3.89Å; W184-P219 HydrophobicContact CZ2-CG 3.58Å; W184-P219 HydrophobicContact CZ3-CG 4.03Å
185M94.3Very high81.6Confident7 Ų735.2 Ų35.23%0.03419%0.185CC..  trans-69.1138.7-175.8-70.2177.469.200111.4F178 V179 T181 P182 V189 I190 W205 L230F178-M185 HydrophobicContact CD2-CE 3.74Å; F178-M185 HydrophobicContact CE1-CE 4.39Å; F178-M185 HydrophobicContact CE2-CE 3.33Å; F178-M185 HydrophobicContact CE2-SD 4.44Å; F178-M185 HydrophobicContact CG-CE 4.43Å; F178-M185 HydrophobicContact CZ-CE 3.69Å; F178-M185 HydrophobicContact CZ-SD 4.29Å; V179-M185 WeakPolarHBondContact O-CE 3.39Å; T181-M185 WeakPolarHBondContact O-CG 3.28Å; T181-M185 PolarHBondContact O-N 2.97Å; P182-M185 PolarHBondContact O-N 3.01Å; M185-V189 HydrophobicContact CE-CB 4.23Å; M185-V189 HydrophobicContact CE-CG1 3.49Å; M185-V189 VanDerWaalsContact CE-CG1 3.49Å; M185-I190 HydrophobicContact CB-CD1 4.36Å; M185-I190 HydrophobicContact CB-CG1 4.24Å; M185-I190 HydrophobicContact CE-CG1 4.43Å; M185-W205 PolarHBondContact O-NE1 3.39Å; M185-L230 HydrophobicContact CB-CD2 4.45Å; M185-L230 HydrophobicContact CE-CD2 4.33Å; M185-L230 HydrophobicContact SD-CD2 3.7Å
186A95.3Very high80.5Confident1 Ų136.1 Ų36.11%0.00819%0.194CC..  trans-73.6148.1174.700000111.4E188 V189 I190 V202 W205A186-E188 HydrophobicContact CB-CG 4.5Å; A186-E188 WeakPolarHBondContact CB-OE2 3.48Å; A186-E188 PolarHBondContact O-N 3.33Å; A186-V189 HydrophobicContact CB-CG2 4.18Å; A186-V189 WeakPolarHBondContact O-CB 3.35Å; A186-V189 PolarHBondContact O-N 3Å; A186-I190 PolarHBondContact O-N 2.92Å; A186-V202 HydrophobicContact CB-CB 3.98Å; A186-V202 HydrophobicContact CB-CG1 4.07Å; A186-W205 VanDerWaalsContact CA-CD1 3.43Å; A186-W205 HydrophobicContact CB-CB 3.71Å; A186-W205 HydrophobicContact CB-CD2 4.31Å; A186-W205 HydrophobicContact CB-CG 3.68Å
187P91.8Very high80.6Confident4 Ų437.9 Ų37.93%0.02620%0.199CC..Hα-helixtrans-54.5-40.4-178.2-24.832.6000112.9V189 I190 L191 W205 I233 K260P187-V189 VanDerWaalsContact C-N 3.31Å; P187-V189 PolarHBondContact O-N 3.3Å; P187-I190 WeakPolarHBondContact O-CB 3.49Å; P187-I190 PolarHBondContact O-N 3.48Å; P187-I190 VanDerWaalsContact O-N 3.13Å; P187-L191 VanDerWaalsContact O-CG 3.28Å; P187-L191 WeakPolarHBondContact O-CG 3.46Å; P187-L191 PolarHBondContact O-N 3.05Å; P187-W205 HydrophobicContact CG-CE3 4.27Å; P187-W205 HydrophobicContact CG-CH2 3.61Å; P187-W205 HydrophobicContact CG-CZ2 3.87Å; P187-W205 HydrophobicContact CG-CZ3 3.81Å; P187-I233 HydrophobicContact CG-CG2 4.03Å; P187-K260 HydrophobicContact CG-CG 4.32Å
188E91Very high81.2Confident21 Ų2137.2 Ų37.210%0.09819%0.193CC..Hα-helixtrans-68.4-25.8179.867.1-86.8-156.300113.6A186 I190 A192 V202 P262 R265A186-E188 HydrophobicContact CB-CG 4.5Å; A186-E188 WeakPolarHBondContact CB-OE2 3.48Å; A186-E188 PolarHBondContact O-N 3.33Å; E188-I190 VanDerWaalsContact C-N 3.31Å; E188-A192 WeakPolarHBondContact O-CB 3.41Å; E188-A192 PolarHBondContact O-N 3.47Å; E188-V202 HydrophobicContact CG-CG1 3.98Å; E188-V202 WeakPolarHBondContact OE1-CG1 3.17Å; E188-P262 HydrophobicContact CB-CG 4.04Å; E188-P262 HydrophobicContact CG-CG 3.91Å; E188-R265 IonicContact OE1-CZ 3.52Å; E188-R265 IonicContact OE1-NH1 3.46Å; E188-R265 PolarHBondContact OE1-NH1 3.18Å; E188-R265 IonicContact OE1-NH2 3.72Å; E188-R265 PolarHBondContact OE1-NH2 2.91Å; E188-R265 IonicContact OE2-CZ 3.45Å; E188-R265 IonicContact OE2-NH1 2.77Å; E188-R265 IonicContact OE2-NH2 2.96Å; E188-R265 PolarHBondContact OE2-NH2 2.8Å
189V88.9Confident81.8Confident6 Ų638.7 Ų38.74%0.03620%0.203CC..Hα-helixtrans-69.3-37172.1-177.30000109.9M185 A186 P187 Y198 V202M185-V189 HydrophobicContact CE-CB 4.23Å; M185-V189 HydrophobicContact CE-CG1 3.49Å; M185-V189 VanDerWaalsContact CE-CG1 3.49Å; A186-V189 HydrophobicContact CB-CG2 4.18Å; A186-V189 WeakPolarHBondContact O-CB 3.35Å; A186-V189 PolarHBondContact O-N 3Å; P187-V189 VanDerWaalsContact C-N 3.31Å; P187-V189 PolarHBondContact O-N 3.3Å; V189-Y198 HydrophobicContact CB-CD1 4.38Å; V189-Y198 HydrophobicContact CB-CE1 4.4Å; V189-Y198 HydrophobicContact CG1-CD1 4.48Å; V189-Y198 HydrophobicContact CG1-CE1 4.02Å; V189-Y198 HydrophobicContact CG2-CD1 4.01Å; V189-Y198 HydrophobicContact CG2-CD2 4.19Å; V189-Y198 HydrophobicContact CG2-CE1 4.18Å; V189-Y198 HydrophobicContact CG2-CE2 4.37Å; V189-Y198 HydrophobicContact CG2-CG 4.02Å; V189-V202 HydrophobicContact CG2-CB 3.81Å; V189-V202 HydrophobicContact CG2-CG1 3.41Å; V189-V202 VanDerWaalsContact CG2-CG1 3.41Å; V189-V202 HydrophobicContact CG2-CG2 4.44Å
190I83.9Confident82.4Confident17 Ų1738.6 Ų38.69%0.08720%0.203CC..Hα-helixtrans-71.7-40.3177.9-51.7174.8000110.6M185 A186 P187 E188 M193 L230 I233 A234M185-I190 HydrophobicContact CB-CD1 4.36Å; M185-I190 HydrophobicContact CB-CG1 4.24Å; M185-I190 HydrophobicContact CE-CG1 4.43Å; A186-I190 PolarHBondContact O-N 2.92Å; P187-I190 WeakPolarHBondContact O-CB 3.49Å; P187-I190 PolarHBondContact O-N 3.48Å; P187-I190 VanDerWaalsContact O-N 3.13Å; E188-I190 VanDerWaalsContact C-N 3.31Å; I190-M193 WeakPolarHBondContact O-CG 3.34Å; I190-L230 HydrophobicContact CD1-CB 4.27Å; I190-L230 HydrophobicContact CD1-CD2 3.63Å; I190-L230 WeakPolarHBondContact CD1-O 3.31Å; I190-L230 HydrophobicContact CG1-CD2 3.78Å; I190-L230 HydrophobicContact CG2-CB 4.33Å; I190-I233 HydrophobicContact CD1-CB 3.77Å; I190-I233 HydrophobicContact CD1-CD1 4.39Å; I190-I233 HydrophobicContact CD1-CG2 3.56Å; I190-A234 HydrophobicContact CG2-CB 4.25Å
191L76.9Confident83.1Confident110 Ų11039.7 Ų39.758%0.57621%0.205SC*.Hα-helixtrans-77.1-20.9178.7-64.1170.4000113.1P187 M193 A234P187-L191 VanDerWaalsContact O-CG 3.28Å; P187-L191 WeakPolarHBondContact O-CG 3.46Å; P187-L191 PolarHBondContact O-N 3.05Å; L191-M193 PolarHBondContact O-N 3.17Å; L191-M193 VanDerWaalsContact O-N 3.12Å; L191-A234 HydrophobicContact CD2-CB 4.44Å
192A68.7Low83.7Confident7 Ų739.7 Ų39.76%0.05821%0.205CC..THydrogen-bonded Turntrans-70.70.9178.100000114.8E188 D194 G196 Y198E188-A192 WeakPolarHBondContact O-CB 3.41Å; E188-A192 PolarHBondContact O-N 3.47Å; A192-D194 PolarHBondContact O-N 3.01Å; A192-G196 WeakPolarHBondContact CB-O 3.32Å; A192-G196 PolarHBondContact O-N 3.47Å; A192-Y198 HydrophobicContact CB-CD1 3.95Å; A192-Y198 HydrophobicContact CB-CE1 4.41Å
193M57.8Low84.3Confident47 Ų4738.8 Ų38.823%0.23220%0.2CC..THydrogen-bonded Turntrans-63.8-10.4-175.2-74.4-174.570.100116.1F178 I190 L191 Y464 R468F178-M193 HydrophobicContact CB-CG 4.21Å; F178-M193 HydrophobicContact CD2-CE 4.5Å; F178-M193 HydrophobicContact CD2-CG 3.42Å; F178-M193 VanDerWaalsContact CD2-CG 3.42Å; F178-M193 HydrophobicContact CD2-SD 3.62Å; F178-M193 HydrophobicContact CE1-SD 4.49Å; F178-M193 HydrophobicContact CE2-CG 3.96Å; F178-M193 HydrophobicContact CE2-SD 3.56Å; F178-M193 VanDerWaalsContact CE2-SD 3.56Å; F178-M193 HydrophobicContact CG-CE 4.44Å; F178-M193 HydrophobicContact CG-CG 3.91Å; F178-M193 HydrophobicContact CG-SD 4.13Å; F178-M193 HydrophobicContact CZ-SD 4.03Å; I190-M193 WeakPolarHBondContact O-CG 3.34Å; L191-M193 PolarHBondContact O-N 3.17Å; L191-M193 VanDerWaalsContact O-N 3.12Å; M193-Y464 HydrophobicContact CE-CD1 4.29Å; M193-Y464 HydrophobicContact CE-CE1 3.51Å; M193-R468 HydrophobicContact CE-CG 4.31Å; M193-R468 PolarHBondContact O-NH2 3.49Å
194D47.5Very low84.6Confident101 Ų10137.3 Ų37.354%0.5419%0.194SC..SBendtrans-113.4-53.9178.6-77-59000112.7A192 R468A192-D194 PolarHBondContact O-N 3.01Å; D194-R468 IonicContact OD1-CZ 3.38Å; D194-R468 IonicContact OD1-NH1 2.92Å; D194-R468 IonicContact OD1-NH2 3.75Å; D194-R468 PolarHBondContact OD1-NH2 2.81Å; D194-R468 IonicContact OD2-CZ 2.68Å; D194-R468 IonicContact OD2-NH1 3.82Å; D194-R468 IonicContact OD2-NH2 3.2Å; D194-R468 PolarHBondContact OD2-NH2 3.31Å
195E53.5Low84.7Confident176 Ų17637 Ų3782%0.82219%0.193SC*.SBendtrans-151.99.1-178.6-64.3-173.9169.700114.2
196G66.6Low84.9Confident27 Ų2737 Ų3728%0.27819%0.193SC..  trans-82.5154.1-172.100000114.1N176 A192N176-G196 WeakPolarHBondContact CB-O 3.48Å; A192-G196 WeakPolarHBondContact CB-O 3.32Å; A192-G196 PolarHBondContact O-N 3.47Å
197Q86Confident85.1Confident141 Ų14137 Ų3766%0.65919%0.193SC*.  trans-117.2147.5170.3-70.2-176.4-18.600109.7P174 A175P174-Q197 HydrophobicContact CB-CB 3.81Å; P174-Q197 HydrophobicContact CB-CG 4.33Å; A175-Q197 CarbonylContact O-C 3.59Å; A175-Q197 WeakPolarHBondContact O-CA 3.49Å
198Y91.9Very high85.4Confident8 Ų836.8 Ų36.83%0.03119%0.192CC..BIsolated β-bridgetrans-134.9154.2175.260.2-102.5000110.5I144 R146 P174 A175 S177 V189 A192 V202I144-Y198 HydrophobicContact CD1-CD2 4.42Å; I144-Y198 HydrophobicContact CD1-CE2 4.39Å; R146-Y198 VanDerWaalsContact CD-OH 3.29Å; R146-Y198 WeakPolarHBondContact CD-OH 3.35Å; R146-Y198 HydrophobicContact CG-CE2 4.38Å; R146-Y198 PolarHBondContact NH1-OH 3.33Å; P174-Y198 CarbonylContact C-O 3.51Å; P174-Y198 VanDerWaalsContact CA-O 3.28Å; P174-Y198 WeakPolarHBondContact CA-O 3.42Å; A175-Y198 HydrophobicContact CB-CD2 4.34Å; A175-Y198 HydrophobicContact CB-CE2 3.69Å; A175-Y198 PolarHBondContact N-O 2.92Å; A175-Y198 WeakPolarHBondContact O-CD1 3.37Å; A175-Y198 PolarHBondContact O-N 2.92Å; S177-Y198 PolarHBondContact N-OH 2.87Å; S177-Y198 WeakPolarHBondContact O-CE1 3.44Å; S177-Y198 PolarHBondContact O-OH 3.39Å; V189-Y198 HydrophobicContact CB-CD1 4.38Å; V189-Y198 HydrophobicContact CB-CE1 4.4Å; V189-Y198 HydrophobicContact CG1-CD1 4.48Å; V189-Y198 HydrophobicContact CG1-CE1 4.02Å; V189-Y198 HydrophobicContact CG2-CD1 4.01Å; V189-Y198 HydrophobicContact CG2-CD2 4.19Å; V189-Y198 HydrophobicContact CG2-CE1 4.18Å; V189-Y198 HydrophobicContact CG2-CE2 4.37Å; V189-Y198 HydrophobicContact CG2-CG 4.02Å; A192-Y198 HydrophobicContact CB-CD1 3.95Å; A192-Y198 HydrophobicContact CB-CE1 4.41Å; Y198-V202 HydrophobicContact CD2-CB 4.46Å; Y198-V202 HydrophobicContact CD2-CG1 3.6Å; Y198-V202 HydrophobicContact CD2-CG2 4.08Å; Y198-V202 HydrophobicContact CE2-CG1 4.5Å; Y198-V202 HydrophobicContact CE2-CG2 4.36Å; Y198-V202 HydrophobicContact CG-CG1 3.84Å
199D95.3Very high85.8Confident59 Ų5936 Ų3632%0.31619%0.188SC..  trans-111.8-166.8-178.270.32.5000111.6K201 V202D199-K201 PolarHBondContact O-N 2.94Å; D199-K201 VanDerWaalsContact O-N 3.1Å; D199-K201 WeakPolarHBondContact OD1-CB 3.41Å; D199-K201 WeakPolarHBondContact OD1-CG 3.37Å; D199-K201 PolarHBondContact OD1-N 3.33Å; D199-V202 WeakPolarHBondContact O-CG1 3.04Å; D199-V202 WeakPolarHBondContact O-CG2 3.49Å; D199-V202 PolarHBondContact O-N 3.37Å
200G96.7Very high86.2Confident7 Ų735.8 Ų35.87%0.07219%0.187CC..THydrogen-bonded Turntrans-59.7-14.5176.900000115.3H139 V202 D203H139-G200 PolarHBondContact CE1-O 3.45Å; H139-G200 PolarHBondContact NE2-O 3.32Å; G200-V202 PolarHBondContact O-N 3.29Å; G200-V202 VanDerWaalsContact O-N 3.13Å; G200-D203 PolarHBondContact O-N 2.91Å; G200-D203 VanDerWaalsContact O-N 3.07Å
201K98.5Very high86.9Confident33 Ų3335 Ų3514%0.14318%0.183CC..Hα-helixtrans-68.6-11.6179.7-62-174.6-178.6-165.70113.2D199 D203 I204 W205 P262 R265D199-K201 PolarHBondContact O-N 2.94Å; D199-K201 VanDerWaalsContact O-N 3.1Å; D199-K201 WeakPolarHBondContact OD1-CB 3.41Å; D199-K201 WeakPolarHBondContact OD1-CG 3.37Å; D199-K201 PolarHBondContact OD1-N 3.33Å; K201-D203 VanDerWaalsContact C-N 3.27Å; K201-D203 PolarHBondContact O-N 3.23Å; K201-I204 WeakPolarHBondContact O-CB 3.35Å; K201-I204 PolarHBondContact O-N 3.36Å; K201-W205 PolarHBondContact O-N 3.48Å; K201-P262 WeakPolarHBondContact CD-O 3.45Å; K201-P262 PolarHBondContact NZ-O 2.89Å; K201-R265 HydrophobicContact CD-CB 4.46Å; K201-R265 WeakPolarHBondContact CD-O 3.29Å; K201-R265 WeakPolarHBondContact CE-O 3.28Å; K201-R265 PolarHBondContact NZ-O 3.46Å; K201-R265 WeakPolarHBondContact O-CD 3.5Å; K201-R265 PolarHBondContact O-NH1 2.91Å
202V98.1Very high88Confident4 Ų429.8 Ų29.82%0.02416%0.155CC..Hα-helixtrans-63.2-36169.9-560000111.6I144 A186 E188 V189 Y198 D199 G200 I204 W205 S206I144-V202 HydrophobicContact CG2-CG2 3.6Å; A186-V202 HydrophobicContact CB-CB 3.98Å; A186-V202 HydrophobicContact CB-CG1 4.07Å; E188-V202 HydrophobicContact CG-CG1 3.98Å; E188-V202 WeakPolarHBondContact OE1-CG1 3.17Å; V189-V202 HydrophobicContact CG2-CB 3.81Å; V189-V202 HydrophobicContact CG2-CG1 3.41Å; V189-V202 VanDerWaalsContact CG2-CG1 3.41Å; V189-V202 HydrophobicContact CG2-CG2 4.44Å; Y198-V202 HydrophobicContact CD2-CB 4.46Å; Y198-V202 HydrophobicContact CD2-CG1 3.6Å; Y198-V202 HydrophobicContact CD2-CG2 4.08Å; Y198-V202 HydrophobicContact CE2-CG1 4.5Å; Y198-V202 HydrophobicContact CE2-CG2 4.36Å; Y198-V202 HydrophobicContact CG-CG1 3.84Å; D199-V202 WeakPolarHBondContact O-CG1 3.04Å; D199-V202 WeakPolarHBondContact O-CG2 3.49Å; D199-V202 PolarHBondContact O-N 3.37Å; G200-V202 PolarHBondContact O-N 3.29Å; G200-V202 VanDerWaalsContact O-N 3.13Å; V202-I204 VanDerWaalsContact C-N 3.26Å; V202-I204 PolarHBondContact O-N 3.46Å; V202-W205 WeakPolarHBondContact O-CB 3.41Å; V202-W205 PolarHBondContact O-N 3.31Å; V202-S206 PolarHBondContact O-N 3.17Å; V202-S206 PolarHBondContact O-OG 2.93Å
203D98.7Very high89.3Confident0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-70-27.2177.1-69.1-30.4000111.8L135 H139 I144 H145 R146 I148 G200 K201 S206 L207L135-D203 HydrophobicContact CD1-CB 4.1Å; L135-D203 HydrophobicContact CD2-CB 3.7Å; H139-D203 IonicContact NE2-OD2 3.71Å; H139-D203 PolarHBondContact NE2-OD2 2.83Å; I144-D203 WeakPolarHBondContact CG2-OD2 3.32Å; H145-D203 WeakPolarHBondContact CB-OD2 3.38Å; H145-D203 PolarHBondContact N-OD2 3.31Å; R146-D203 WeakPolarHBondContact CA-OD1 3.4Å; R146-D203 PolarHBondContact N-OD1 2.97Å; I148-D203 HydrophobicContact CG1-CB 4.17Å; G200-D203 PolarHBondContact O-N 2.91Å; G200-D203 VanDerWaalsContact O-N 3.07Å; K201-D203 VanDerWaalsContact C-N 3.27Å; K201-D203 PolarHBondContact O-N 3.23Å; D203-S206 PolarHBondContact O-N 3.4Å; D203-L207 WeakPolarHBondContact O-CB 3.43Å; D203-L207 PolarHBondContact O-N 3.14Å
204I98.8Very high91.2Very high0 Ų027.8 Ų27.80%014%0.144CC..Hα-helixtrans-69.6-42.2174.8-58.1-53.3000111.2L132 L135 K201 V202 L207 G208 C257 R265 L271L132-I204 HydrophobicContact CD2-CD1 4.23Å; L135-I204 HydrophobicContact CD1-CD1 4.29Å; K201-I204 WeakPolarHBondContact O-CB 3.35Å; K201-I204 PolarHBondContact O-N 3.36Å; V202-I204 VanDerWaalsContact C-N 3.26Å; V202-I204 PolarHBondContact O-N 3.46Å; I204-L207 WeakPolarHBondContact O-CB 3.5Å; I204-L207 PolarHBondContact O-N 3.46Å; I204-G208 PolarHBondContact O-N 2.99Å; I204-C257 HydrophobicContact CG2-CB 4.13Å; I204-R265 HydrophobicContact CG2-CG 4.06Å; I204-L271 HydrophobicContact CD1-CD1 4.12Å; I204-L271 HydrophobicContact CG2-CD1 3.34Å
205W98.7Very high93.6Very high2 Ų223.2 Ų23.21%0.00812%0.121CC..Hα-helixtrans-60.1-50172174.9-79.8000110.9M185 A186 P187 K201 V202 L207 G208 I209 I233 L258 K260M185-W205 PolarHBondContact O-NE1 3.39Å; A186-W205 VanDerWaalsContact CA-CD1 3.43Å; A186-W205 HydrophobicContact CB-CB 3.71Å; A186-W205 HydrophobicContact CB-CD2 4.31Å; A186-W205 HydrophobicContact CB-CG 3.68Å; P187-W205 HydrophobicContact CG-CE3 4.27Å; P187-W205 HydrophobicContact CG-CH2 3.61Å; P187-W205 HydrophobicContact CG-CZ2 3.87Å; P187-W205 HydrophobicContact CG-CZ3 3.81Å; K201-W205 PolarHBondContact O-N 3.48Å; V202-W205 WeakPolarHBondContact O-CB 3.41Å; V202-W205 PolarHBondContact O-N 3.31Å; W205-L207 PolarHBondContact O-N 2.86Å; W205-G208 WeakPolarHBondContact O-CA 3.48Å; W205-G208 PolarHBondContact O-N 2.97Å; W205-I209 PolarHBondContact O-N 3Å; W205-I233 HydrophobicContact CZ2-CG2 4.06Å; W205-L258 HydrophobicContact CD2-CD2 3.76Å; W205-L258 HydrophobicContact CE3-CB 4.41Å; W205-L258 HydrophobicContact CE3-CD2 3.99Å; W205-L258 HydrophobicContact CG-CD2 4.13Å; W205-L258 HydrophobicContact CZ2-CD2 4.33Å; W205-L258 HydrophobicContact CZ3-CB 4.26Å; W205-L258 HydrophobicContact CZ3-CD2 4.39Å; W205-L258 WeakPolarHBondContact CZ3-O 3.36Å; W205-L258 WeakPolarHBondContact O-CD2 3.32Å; W205-K260 HydrophobicContact CH2-CG 3.95Å; W205-K260 HydrophobicContact CZ3-CB 4.48Å; W205-K260 HydrophobicContact CZ3-CG 3.89Å
206S98.6Very high95.6Very high6 Ų617.8 Ų17.84%0.04210%0.095CC..Hα-helixtrans-60-35178.5-58.70000112.3I148 W184 V202 D203 I209 T210I148-S206 WeakPolarHBondContact O-CB 3.38Å; W184-S206 WeakPolarHBondContact O-CA 3.48Å; W184-S206 WeakPolarHBondContact O-CB 3.35Å; W184-S206 PolarHBondContact O-OG 3.24Å; V202-S206 PolarHBondContact O-N 3.17Å; V202-S206 PolarHBondContact O-OG 2.93Å; D203-S206 PolarHBondContact O-N 3.4Å; S206-I209 PolarHBondContact O-N 2.95Å; S206-T210 WeakPolarHBondContact O-CB 3.47Å; S206-T210 PolarHBondContact O-N 3.35Å; S206-T210 PolarHBondContact O-OG1 3.23Å
207L98.8Very high96.9Very high1 Ų120.7 Ų20.71%0.00510%0.098CC..Hα-helixtrans-65.2-39.5171.5-178.267.6000112.3T128 A131 L132 L135 I148 D203 I204 W205 T210 C211 F253T128-L207 HydrophobicContact CG2-CD1 4.33Å; T128-L207 HydrophobicContact CG2-CD2 4.17Å; T128-L207 HydrophobicContact CG2-CG 4.41Å; A131-L207 HydrophobicContact CB-CD1 4.07Å; L132-L207 HydrophobicContact CD2-CD2 3.44Å; L132-L207 VanDerWaalsContact CD2-CD2 3.44Å; L132-L207 HydrophobicContact CG-CD2 3.64Å; L135-L207 HydrophobicContact CD1-CB 4.39Å; L135-L207 HydrophobicContact CD1-CD2 4.23Å; I148-L207 HydrophobicContact CG2-CB 4.33Å; I148-L207 HydrophobicContact CG2-CD1 4.44Å; D203-L207 WeakPolarHBondContact O-CB 3.43Å; D203-L207 PolarHBondContact O-N 3.14Å; I204-L207 WeakPolarHBondContact O-CB 3.5Å; I204-L207 PolarHBondContact O-N 3.46Å; W205-L207 PolarHBondContact O-N 2.86Å; L207-T210 CarbonylContact O-C 3.45Å; L207-T210 WeakPolarHBondContact O-CB 3.5Å; L207-T210 PolarHBondContact O-N 3.19Å; L207-C211 PolarHBondContact O-N 3.11Å; L207-C211 PolarHBondContact O-SG 3.45Å; L207-F253 HydrophobicContact CD2-CZ 4.49Å
208G98.7Very high97.2Very high0 Ų017.9 Ų17.90%08%0.084CC..Hα-helixtrans-59.6-45.917300000112.1I204 W205 T210 C211 I212I204-G208 PolarHBondContact O-N 2.99Å; W205-G208 WeakPolarHBondContact O-CA 3.48Å; W205-G208 PolarHBondContact O-N 2.97Å; G208-T210 VanDerWaalsContact C-N 3.31Å; G208-T210 PolarHBondContact O-N 3.23Å; G208-C211 WeakPolarHBondContact O-CB 3.33Å; G208-C211 PolarHBondContact O-N 3.06Å; G208-I212 PolarHBondContact O-N 3.42Å
209I98.6Very high97.3Very high4 Ų417.9 Ų17.92%0.0218%0.084CC..Hα-helixtrans-63-39.3173.6-59.3-58.8000111.2W184 W205 S206 C211 I212 E213 P219 P220 P239 L258W184-I209 HydrophobicContact CB-CG2 4.39Å; W184-I209 VanDerWaalsContact CD1-CG2 3.43Å; W184-I209 HydrophobicContact CD2-CG2 4.37Å; W184-I209 HydrophobicContact CG-CB 4.31Å; W184-I209 HydrophobicContact CG-CG2 3.81Å; W205-I209 PolarHBondContact O-N 3Å; S206-I209 PolarHBondContact O-N 2.95Å; I209-C211 VanDerWaalsContact C-N 3.31Å; I209-C211 PolarHBondContact O-N 3.46Å; I209-I212 WeakPolarHBondContact O-CB 3.47Å; I209-I212 PolarHBondContact O-N 3.46Å; I209-E213 PolarHBondContact O-N 2.99Å; I209-P219 HydrophobicContact CG2-CB 3.69Å; I209-P220 HydrophobicContact CD1-CG 4.36Å; I209-P239 HydrophobicContact CD1-CG 3.7Å; I209-L258 HydrophobicContact CD1-CD1 4.23Å; I209-L258 HydrophobicContact CD1-CD2 3.68Å; I209-L258 HydrophobicContact CG1-CD2 3.93Å
210T98.6Very high97Very high2 Ų216.3 Ų16.31%0.0128%0.077CC..Hα-helixtrans-63.7-35.9175.8-55.20000111.7K149 A150 I153 S206 L207 G208 I212 E213 L214K149-T210 WeakPolarHBondContact CA-OG1 3.38Å; A150-T210 HydrophobicContact CB-CG2 4.22Å; I153-T210 HydrophobicContact CD1-CG2 3.87Å; S206-T210 WeakPolarHBondContact O-CB 3.47Å; S206-T210 PolarHBondContact O-N 3.35Å; S206-T210 PolarHBondContact O-OG1 3.23Å; L207-T210 CarbonylContact O-C 3.45Å; L207-T210 WeakPolarHBondContact O-CB 3.5Å; L207-T210 PolarHBondContact O-N 3.19Å; G208-T210 VanDerWaalsContact C-N 3.31Å; G208-T210 PolarHBondContact O-N 3.23Å; T210-I212 VanDerWaalsContact C-N 3.34Å; T210-E213 WeakPolarHBondContact O-CB 3.25Å; T210-E213 PolarHBondContact O-N 2.95Å; T210-L214 HydrophobicContact CG2-CD1 4.47Å; T210-L214 HydrophobicContact CG2-CG 4.49Å; T210-L214 VanDerWaalsContact O-CG 3.31Å; T210-L214 WeakPolarHBondContact O-CG 3.33Å; T210-L214 PolarHBondContact O-N 2.92Å
211C98.7Very high96.6Very high0 Ų017.6 Ų17.60%08%0.083CC..Hα-helixtrans-63.1-41.4173.7-69.50000111.8T128 L207 G208 I209 L214 A215 F250 V254T128-C211 PolarHBondContact OG1-SG 3.44Å; L207-C211 PolarHBondContact O-N 3.11Å; L207-C211 PolarHBondContact O-SG 3.45Å; G208-C211 WeakPolarHBondContact O-CB 3.33Å; G208-C211 PolarHBondContact O-N 3.06Å; I209-C211 VanDerWaalsContact C-N 3.31Å; I209-C211 PolarHBondContact O-N 3.46Å; C211-L214 PolarHBondContact O-N 3.42Å; C211-A215 WeakPolarHBondContact O-CB 3.41Å; C211-A215 PolarHBondContact O-N 3.27Å; C211-A215 VanDerWaalsContact O-N 3.11Å; C211-F250 HydrophobicContact CB-CE2 3.89Å; C211-F250 HydrophobicContact CB-CZ 4.16Å; C211-V254 HydrophobicContact CB-CG2 3.83Å
212I98.3Very high95.9Very high0 Ų018.1 Ų18.10%09%0.085CC..Hα-helixtrans-63-44.1172.5-61.4174.6000110.1G208 I209 T210 L214 A215 E216 P220 P239 L241 V254 L258G208-I212 PolarHBondContact O-N 3.42Å; I209-I212 WeakPolarHBondContact O-CB 3.47Å; I209-I212 PolarHBondContact O-N 3.46Å; T210-I212 VanDerWaalsContact C-N 3.34Å; I212-L214 VanDerWaalsContact C-N 3.32Å; I212-L214 PolarHBondContact O-N 2.92Å; I212-A215 CarbonylContact O-C 3.55Å; I212-A215 PolarHBondContact O-N 2.9Å; I212-A215 VanDerWaalsContact O-N 3.08Å; I212-E216 HydrophobicContact CG2-CB 4.35Å; I212-E216 HydrophobicContact CG2-CG 4.14Å; I212-E216 WeakPolarHBondContact O-CB 3.36Å; I212-E216 PolarHBondContact O-N 3.34Å; I212-P220 HydrophobicContact CD1-CG 3.99Å; I212-P220 HydrophobicContact CG2-CG 4.03Å; I212-P239 HydrophobicContact CD1-CB 4.22Å; I212-P239 HydrophobicContact CD1-CG 4.28Å; I212-L241 HydrophobicContact CB-CD2 4.47Å; I212-L241 HydrophobicContact CG1-CD2 4.07Å; I212-L241 HydrophobicContact CG1-CG 4.5Å; I212-V254 HydrophobicContact CD1-CG1 3.99Å; I212-V254 HydrophobicContact CG1-CG1 3.85Å; I212-L258 HydrophobicContact CD1-CD1 3.7Å
213E97.8Very high94.9Very high11 Ų1123.5 Ų23.55%0.05111%0.113CC..Hα-helixtrans-57.5-42.1176.4-178.4-171.6-169.800112.4L112 A150 W184 I209 T210 A215 R217L112-E213 HydrophobicContact CD1-CG 4.33Å; A150-E213 HydrophobicContact CB-CG 4.21Å; A150-E213 WeakPolarHBondContact CB-OE1 3.47Å; A150-E213 VanDerWaalsContact CB-OE2 3.23Å; A150-E213 WeakPolarHBondContact CB-OE2 3.36Å; A150-E213 PolarHBondContact N-OE2 3.38Å; W184-E213 HydrophobicContact CZ2-CG 4.45Å; W184-E213 WeakPolarHBondContact CZ2-OE2 3.34Å; W184-E213 PolarHBondContact NE1-OE2 2.84Å; W184-E213 VanDerWaalsContact NE1-OE2 3.12Å; I209-E213 PolarHBondContact O-N 2.99Å; T210-E213 WeakPolarHBondContact O-CB 3.25Å; T210-E213 PolarHBondContact O-N 2.95Å; E213-A215 VanDerWaalsContact C-N 3.31Å; E213-A215 PolarHBondContact O-N 3.02Å; E213-R217 CarbonylContact O-C 3.55Å; E213-R217 WeakPolarHBondContact O-CA 3.24Å; E213-R217 PolarHBondContact O-N 2.84Å
214L97.8Very high93.8Very high1 Ų124.7 Ų24.71%0.00512%0.119CC..Hα-helixtrans-69.7-28.6177.1-63.3174000112.9A108 L112 L119 I124 I127 A150 T210 C211 I212A108-L214 HydrophobicContact CB-CD2 3.91Å; L112-L214 HydrophobicContact CD1-CD2 4.11Å; L112-L214 HydrophobicContact CG-CD2 4.42Å; L119-L214 HydrophobicContact CD1-CD2 4.05Å; L119-L214 PolarHBondContact N-O 3.37Å; L119-L214 VanDerWaalsContact N-O 3.1Å; I124-L214 HydrophobicContact CD1-CB 4.12Å; I124-L214 HydrophobicContact CG1-CB 3.95Å; I124-L214 HydrophobicContact CG2-CB 4.33Å; I124-L214 HydrophobicContact CG2-CD1 4.16Å; I127-L214 HydrophobicContact CG2-CD1 4.19Å; A150-L214 HydrophobicContact CB-CD2 3.93Å; T210-L214 HydrophobicContact CG2-CD1 4.47Å; T210-L214 HydrophobicContact CG2-CG 4.49Å; T210-L214 VanDerWaalsContact O-CG 3.31Å; T210-L214 WeakPolarHBondContact O-CG 3.33Å; T210-L214 PolarHBondContact O-N 2.92Å; C211-L214 PolarHBondContact O-N 3.42Å; I212-L214 VanDerWaalsContact C-N 3.32Å; I212-L214 PolarHBondContact O-N 2.92Å
215A97.9Very high92.6Very high5 Ų525.6 Ų25.64%0.04112%0.124CC..Hα-helixtrans-86.6-26.4179.100000113.8P118 I124 C211 I212 E213 L241 W246 F250P118-A215 WeakPolarHBondContact CB-O 3.27Å; P118-A215 WeakPolarHBondContact CG-O 3.33Å; I124-A215 HydrophobicContact CD1-CB 4.14Å; C211-A215 WeakPolarHBondContact O-CB 3.41Å; C211-A215 PolarHBondContact O-N 3.27Å; C211-A215 VanDerWaalsContact O-N 3.11Å; I212-A215 CarbonylContact O-C 3.55Å; I212-A215 PolarHBondContact O-N 2.9Å; I212-A215 VanDerWaalsContact O-N 3.08Å; E213-A215 VanDerWaalsContact C-N 3.31Å; E213-A215 PolarHBondContact O-N 3.02Å; A215-L241 HydrophobicContact CB-CD2 3.59Å; A215-W246 HydrophobicContact CB-CH2 4.12Å; A215-W246 HydrophobicContact CB-CZ2 3.52Å; A215-F250 HydrophobicContact CB-CE1 4.15Å; A215-F250 HydrophobicContact CB-CZ 4.31Å
216E95.4Very high91.4Very high63 Ų6325.6 Ų25.629%0.29413%0.125SC..Hα-helixtrans-127.65-171-58.5-174.6179.700112.7I212 K218 Q242I212-E216 HydrophobicContact CG2-CB 4.35Å; I212-E216 HydrophobicContact CG2-CG 4.14Å; I212-E216 WeakPolarHBondContact O-CB 3.36Å; I212-E216 PolarHBondContact O-N 3.34Å; E216-K218 PolarHBondContact O-N 3.41Å; E216-Q242 PolarHBondContact OE1-N 3.42Å
217R94Very high90.1Very high88 Ų8828 Ų2833%0.33214%0.136SC..SBendtrans68.1-14.1-179.2-54.8170.757.9-162.7-8116L112 K116 P118 E213L112-R217 HydrophobicContact CD2-CG 4.35Å; K116-R217 VanDerWaalsContact O-CZ 3.23Å; K116-R217 PolarHBondContact O-NE 3.03Å; K116-R217 PolarHBondContact O-NH1 3.25Å; P118-R217 HydrophobicContact CG-CG 4.29Å; E213-R217 CarbonylContact O-C 3.55Å; E213-R217 WeakPolarHBondContact O-CA 3.24Å; E213-R217 PolarHBondContact O-N 2.84Å
218K90.9Very high88.8Confident82 Ų8228.3 Ų28.336%0.35714%0.138SC..SBendtrans-143.1151.1-179.1-70.1-178.7173.2-176.50109.7E216 F222E216-K218 PolarHBondContact O-N 3.41Å; K218-F222 HydrophobicContact CB-CB 4.34Å; K218-F222 HydrophobicContact CB-CG 4.41Å; K218-F222 HydrophobicContact CD-CD1 3.62Å; K218-F222 HydrophobicContact CD-CE1 4.06Å; K218-F222 HydrophobicContact CD-CG 4.24Å; K218-F222 HydrophobicContact CG-CD1 4.3Å
219P93.7Very high87.8Confident7 Ų728.3 Ų28.35%0.04514%0.138CC..  trans-68.4161.2171.833.8-38.9000110.6Y183 W184 I209 F222Y183-P219 HydrophobicContact CG-CG 4.38Å; W184-P219 HydrophobicContact CD2-CB 4.39Å; W184-P219 HydrophobicContact CH2-CB 4.31Å; W184-P219 HydrophobicContact CH2-CG 3.56Å; W184-P219 HydrophobicContact CZ2-CB 3.89Å; W184-P219 HydrophobicContact CZ2-CG 3.58Å; W184-P219 HydrophobicContact CZ3-CG 4.03Å; I209-P219 HydrophobicContact CG2-CB 3.69Å; P219-F222 HydrophobicContact CG-CB 4.16Å; P219-F222 HydrophobicContact CG-CD2 3.81Å; P219-F222 HydrophobicContact CG-CG 4.38Å; P219-F222 WeakPolarHBondContact O-CB 3.37Å
220P90.6Very high87Confident26 Ų2628.5 Ų28.517%0.16914%0.139CC..THydrogen-bonded Turntrans-54.1150.8167.9-2435.6000111.4I209 I212 F222 P239I209-P220 HydrophobicContact CD1-CG 4.36Å; I212-P220 HydrophobicContact CD1-CG 3.99Å; I212-P220 HydrophobicContact CG2-CG 4.03Å; P220-F222 PolarHBondContact O-N 3.4Å; P220-F222 VanDerWaalsContact O-N 3.13Å; P220-P239 HydrophobicContact CB-CB 3.88Å; P220-P239 HydrophobicContact CB-CG 4.14Å; P220-P239 HydrophobicContact CG-CB 3.59Å; P220-P239 HydrophobicContact CG-CG 3.74Å
221L87.4Confident85.7Confident35 Ų3530.1 Ų30.118%0.18315%0.146CC..THydrogen-bonded Turntrans65.610.4174.1-44.1169.2000115.2Y183 N223 M224 A229 H232 I233Y183-L221 WeakPolarHBondContact CE1-O 3.05Å; L221-N223 PolarHBondContact O-N 3.01Å; L221-M224 HydrophobicContact CB-SD 4.11Å; L221-M224 HydrophobicContact CD2-SD 3.75Å; L221-M224 HydrophobicContact CG-SD 4.47Å; L221-M224 WeakPolarHBondContact O-CB 3.29Å; L221-M224 PolarHBondContact O-N 2.86Å; L221-A229 HydrophobicContact CB-CB 4.2Å; L221-H232 HydrophobicContact CD1-CB 3.78Å; L221-H232 HydrophobicContact CD2-CB 4.33Å; L221-I233 HydrophobicContact CD1-CD1 4.5Å; L221-I233 HydrophobicContact CD1-CG1 3.83Å
222F83.5Confident84.7Confident44 Ų4432.8 Ų32.819%0.19316%0.158CC..THydrogen-bonded Turntrans-60.7-17.5-178.9-169.1-99.6000114.4Y183 K218 P219 P220 M224 V355Y183-F222 HydrophobicContact CD2-CD2 4.4Å; Y183-F222 HydrophobicContact CE2-CD2 4.39Å; K218-F222 HydrophobicContact CB-CB 4.34Å; K218-F222 HydrophobicContact CB-CG 4.41Å; K218-F222 HydrophobicContact CD-CD1 3.62Å; K218-F222 HydrophobicContact CD-CE1 4.06Å; K218-F222 HydrophobicContact CD-CG 4.24Å; K218-F222 HydrophobicContact CG-CD1 4.3Å; P219-F222 HydrophobicContact CG-CB 4.16Å; P219-F222 HydrophobicContact CG-CD2 3.81Å; P219-F222 HydrophobicContact CG-CG 4.38Å; P219-F222 WeakPolarHBondContact O-CB 3.37Å; P220-F222 PolarHBondContact O-N 3.4Å; P220-F222 VanDerWaalsContact O-N 3.13Å; F222-M224 VanDerWaalsContact C-N 3.33Å; F222-V355 HydrophobicContact CE2-CG2 3.96Å; F222-V355 HydrophobicContact CZ-CG2 4.29Å
223N77.6Confident84.2Confident116 Ų11633.5 Ų33.562%0.6216%0.161SC*.THydrogen-bonded Turntrans-83-7.4175.263.2-53.6000113.8L221L221-N223 PolarHBondContact O-N 3.01Å
224M75.5Confident83.4Confident25 Ų2533.7 Ų33.712%0.12317%0.165CC..SBendtrans-97.7157.2178.4-58.8177.66900110.4Y183 L221 F222 H232 L808Y183-M224 PolarHBondContact OH-O 3.04Å; L221-M224 HydrophobicContact CB-SD 4.11Å; L221-M224 HydrophobicContact CD2-SD 3.75Å; L221-M224 HydrophobicContact CG-SD 4.47Å; L221-M224 WeakPolarHBondContact O-CB 3.29Å; L221-M224 PolarHBondContact O-N 2.86Å; F222-M224 VanDerWaalsContact C-N 3.33Å; M224-H232 HydrophobicContact CE-CB 4.48Å; M224-L808 HydrophobicContact CE-CD2 4.29Å
225N73.3Confident82.5Confident19 Ų1936.2 Ų36.210%0.10218%0.177CC..  trans-68.2160.6169.777.551.1000111M227 S228 A229 Q686 Y689N225-M227 VanDerWaalsContact C-N 3.32Å; N225-M227 PolarHBondContact O-N 3.29Å; N225-M227 PolarHBondContact OD1-N 3.34Å; N225-S228 PolarHBondContact ND2-OG 3.49Å; N225-S228 PolarHBondContact O-N 2.93Å; N225-S228 PolarHBondContact OD1-N 3.09Å; N225-S228 PolarHBondContact OD1-OG 3.06Å; N225-S228 VanDerWaalsContact OD1-OG 3.12Å; N225-A229 WeakPolarHBondContact O-CB 3.43Å; N225-A229 PolarHBondContact O-N 3.09Å; N225-Q686 PolarHBondContact ND2-OE1 3.47Å; N225-Y689 HydrophobicContact CB-CD1 4.41Å; N225-Y689 HydrophobicContact CB-CD2 3.95Å; N225-Y689 HydrophobicContact CB-CE1 4.12Å; N225-Y689 HydrophobicContact CB-CE2 3.63Å; N225-Y689 HydrophobicContact CB-CG 4.33Å
226A73.3Confident81.8Confident3 Ų338.9 Ų38.93%0.02519%0.19CC..Hα-helixtrans-57.3-41.7-175.200000113.6P182 A229 L230 L457P182-A226 HydrophobicContact CB-CB 3.99Å; P182-A226 HydrophobicContact CG-CB 3.79Å; A226-A229 PolarHBondContact O-N 3.04Å; A226-L230 WeakPolarHBondContact O-CG 3.12Å; A226-L230 PolarHBondContact O-N 2.99Å; A226-L457 HydrophobicContact CB-CD1 3.77Å; A226-L457 HydrophobicContact CB-CD2 4.48Å
227M72.1Confident81.4Confident55 Ų5542.9 Ų42.927%0.27121%0.214SC..Hα-helixtrans-68-42.3-179.4-75-61.3-67.100111.7N225 A229 L230 Y231 M461 Y464 E682N225-M227 VanDerWaalsContact C-N 3.32Å; N225-M227 PolarHBondContact O-N 3.29Å; N225-M227 PolarHBondContact OD1-N 3.34Å; M227-A229 VanDerWaalsContact C-N 3.34Å; M227-L230 PolarHBondContact O-N 2.97Å; M227-L230 HydrophobicContact SD-CD1 4.04Å; M227-Y231 PolarHBondContact O-N 3.4Å; M227-M461 HydrophobicContact SD-SD 4.08Å; M227-Y464 HydrophobicContact CE-CE1 4.11Å; M227-Y464 HydrophobicContact CE-CE2 4.14Å; M227-E682 HydrophobicContact CE-CG 4.46Å
228S72.2Confident81.3Confident9 Ų941 Ų416%0.06321%0.214CC..Hα-helixtrans-65.2-37.6175.2-54.50000111.9N225 Y231 H232N225-S228 PolarHBondContact ND2-OG 3.49Å; N225-S228 PolarHBondContact O-N 2.93Å; N225-S228 PolarHBondContact OD1-N 3.09Å; N225-S228 PolarHBondContact OD1-OG 3.06Å; N225-S228 VanDerWaalsContact OD1-OG 3.12Å; S228-Y231 WeakPolarHBondContact O-CB 3.49Å; S228-Y231 PolarHBondContact O-N 3Å; S228-H232 WeakPolarHBondContact O-CB 3.46Å; S228-H232 PolarHBondContact O-N 3.49Å
229A76.8Confident81.5Confident0 Ų038.9 Ų38.90%021%0.209CC..Hα-helixtrans-65.3-45.6174.700000111.8Y183 L221 N225 A226 M227 Y231 H232 I233Y183-A229 HydrophobicContact CD1-CB 3.63Å; Y183-A229 HydrophobicContact CE1-CB 3.6Å; L221-A229 HydrophobicContact CB-CB 4.2Å; N225-A229 WeakPolarHBondContact O-CB 3.43Å; N225-A229 PolarHBondContact O-N 3.09Å; A226-A229 PolarHBondContact O-N 3.04Å; M227-A229 VanDerWaalsContact C-N 3.34Å; A229-Y231 VanDerWaalsContact C-N 3.28Å; A229-Y231 PolarHBondContact O-N 3.1Å; A229-H232 PolarHBondContact O-N 3.47Å; A229-H232 VanDerWaalsContact O-N 3.17Å; A229-I233 VanDerWaalsContact O-CG1 3.26Å; A229-I233 WeakPolarHBondContact O-CG1 3.43Å; A229-I233 PolarHBondContact O-N 3.23Å
230L81.2Confident81.5Confident8 Ų841 Ų414%0.04222%0.222CC..Hα-helixtrans-57.2-43.5175.2-70.5166.7000111.5F178 P182 M185 I190 A226 M227 I233 A234 M461F178-L230 HydrophobicContact CE2-CD2 4.46Å; F178-L230 HydrophobicContact CZ-CD1 3.81Å; F178-L230 HydrophobicContact CZ-CD2 4.1Å; P182-L230 HydrophobicContact CB-CD2 4.09Å; P182-L230 HydrophobicContact CB-CG 4.11Å; M185-L230 HydrophobicContact CB-CD2 4.45Å; M185-L230 HydrophobicContact CE-CD2 4.33Å; M185-L230 HydrophobicContact SD-CD2 3.7Å; I190-L230 HydrophobicContact CD1-CB 4.27Å; I190-L230 HydrophobicContact CD1-CD2 3.63Å; I190-L230 WeakPolarHBondContact CD1-O 3.31Å; I190-L230 HydrophobicContact CG1-CD2 3.78Å; I190-L230 HydrophobicContact CG2-CB 4.33Å; A226-L230 WeakPolarHBondContact O-CG 3.12Å; A226-L230 PolarHBondContact O-N 2.99Å; M227-L230 PolarHBondContact O-N 2.97Å; M227-L230 HydrophobicContact SD-CD1 4.04Å; L230-I233 PolarHBondContact O-N 3.08Å; L230-A234 PolarHBondContact O-N 3.34Å; L230-A234 VanDerWaalsContact O-N 3.09Å; L230-M461 HydrophobicContact CD1-CE 4.11Å
231Y71.7Confident81.7Confident36 Ų3639.9 Ų39.914%0.14121%0.214CC..Hα-helixtrans-59.3-49.8175171.4-92.1000111.9M227 S228 A229 I233 A234 Q235 L808 Y812M227-Y231 PolarHBondContact O-N 3.4Å; S228-Y231 WeakPolarHBondContact O-CB 3.49Å; S228-Y231 PolarHBondContact O-N 3Å; A229-Y231 VanDerWaalsContact C-N 3.28Å; A229-Y231 PolarHBondContact O-N 3.1Å; Y231-I233 VanDerWaalsContact C-N 3.33Å; Y231-I233 PolarHBondContact O-N 2.87Å; Y231-A234 PolarHBondContact O-N 3.48Å; Y231-A234 VanDerWaalsContact O-N 3.17Å; Y231-Q235 HydrophobicContact CD2-CG 3.93Å; Y231-Q235 HydrophobicContact CE1-CB 4.39Å; Y231-Q235 HydrophobicContact CE1-CG 4.25Å; Y231-Q235 HydrophobicContact CE2-CB 4.46Å; Y231-Q235 HydrophobicContact CE2-CG 3.52Å; Y231-Q235 HydrophobicContact CG-CG 4.5Å; Y231-Q235 WeakPolarHBondContact O-CG 3.35Å; Y231-Q235 PolarHBondContact O-N 3.4Å; Y231-L808 HydrophobicContact CD1-CD1 4.26Å; Y231-L808 HydrophobicContact CD1-CD2 3.6Å; Y231-L808 HydrophobicContact CD1-CG 3.68Å; Y231-L808 HydrophobicContact CE1-CD1 3.46Å; Y231-L808 VanDerWaalsContact CE1-CD1 3.46Å; Y231-L808 HydrophobicContact CE1-CD2 3.7Å; Y231-L808 HydrophobicContact CE1-CG 3.33Å; Y231-Y812 HydrophobicContact CD2-CD1 4.26Å; Y231-Y812 AromaticContact CD2-CD2 3.33Å; Y231-Y812 HydrophobicContact CD2-CD2 3.33Å; Y231-Y812 AromaticContact CD2-CE2 3.95Å; Y231-Y812 HydrophobicContact CD2-CE2 3.95Å; Y231-Y812 AromaticContact CD2-CG 3.46Å; Y231-Y812 HydrophobicContact CD2-CG 3.46Å; Y231-Y812 VanDerWaalsContact CD2-CG 3.46Å; Y231-Y812 AromaticContact CE2-CD2 3.31Å; Y231-Y812 HydrophobicContact CE2-CD2 3.31Å; Y231-Y812 HydrophobicContact CE2-CE2 4.27Å; Y231-Y812 AromaticContact CE2-CG 3.52Å; Y231-Y812 HydrophobicContact CE2-CG 3.52Å
232H78.1Confident81.8Confident55 Ų5545.1 Ų45.126%0.25524%0.238SC..Hα-helixtrans-63.1-40.6-177.3-167.7-61.9000111.4L221 M224 S228 A229 A234 Q235 N236L221-H232 HydrophobicContact CD1-CB 3.78Å; L221-H232 HydrophobicContact CD2-CB 4.33Å; M224-H232 HydrophobicContact CE-CB 4.48Å; S228-H232 WeakPolarHBondContact O-CB 3.46Å; S228-H232 PolarHBondContact O-N 3.49Å; A229-H232 PolarHBondContact O-N 3.47Å; A229-H232 VanDerWaalsContact O-N 3.17Å; H232-A234 VanDerWaalsContact C-N 3.34Å; H232-A234 PolarHBondContact O-N 2.9Å; H232-Q235 PolarHBondContact O-N 2.98Å; H232-N236 PolarHBondContact CD2-ND2 3.19Å; H232-N236 PolarHBondContact CE1-ND2 3.39Å; H232-N236 VanDerWaalsContact CG-ND2 3.26Å; H232-N236 PolarHBondContact ND1-ND2 3.44Å; H232-N236 PolarHBondContact NE2-ND2 2.96Å; H232-N236 WeakPolarHBondContact O-CB 3.45Å; H232-N236 PolarHBondContact O-N 3.25Å
233I87.8Confident82Confident15 Ų1544.8 Ų44.88%0.07724%0.241CC..Hα-helixtrans-60.6-43.7174.9-67.5163.9000111P182 P187 I190 W205 L221 A229 L230 Y231 K260P182-I233 VanDerWaalsContact O-CD1 3.25Å; P182-I233 WeakPolarHBondContact O-CD1 3.34Å; P187-I233 HydrophobicContact CG-CG2 4.03Å; I190-I233 HydrophobicContact CD1-CB 3.77Å; I190-I233 HydrophobicContact CD1-CD1 4.39Å; I190-I233 HydrophobicContact CD1-CG2 3.56Å; W205-I233 HydrophobicContact CZ2-CG2 4.06Å; L221-I233 HydrophobicContact CD1-CD1 4.5Å; L221-I233 HydrophobicContact CD1-CG1 3.83Å; A229-I233 VanDerWaalsContact O-CG1 3.26Å; A229-I233 WeakPolarHBondContact O-CG1 3.43Å; A229-I233 PolarHBondContact O-N 3.23Å; L230-I233 PolarHBondContact O-N 3.08Å; Y231-I233 VanDerWaalsContact C-N 3.33Å; Y231-I233 PolarHBondContact O-N 2.87Å; I233-K260 PolarHBondContact O-NZ 3.09Å
234A81.6Confident82.4Confident15 Ų1546.1 Ų46.112%0.12425%0.248CC..Hα-helixtrans-67.6-42.3-17900000112.1I190 L191 L230 Y231 H232 K260I190-A234 HydrophobicContact CG2-CB 4.25Å; L191-A234 HydrophobicContact CD2-CB 4.44Å; L230-A234 PolarHBondContact O-N 3.34Å; L230-A234 VanDerWaalsContact O-N 3.09Å; Y231-A234 PolarHBondContact O-N 3.48Å; Y231-A234 VanDerWaalsContact O-N 3.17Å; H232-A234 VanDerWaalsContact C-N 3.34Å; H232-A234 PolarHBondContact O-N 2.9Å; A234-K260 PolarHBondContact O-NZ 2.95Å
235Q77.6Confident83.2Confident55 Ų5552 Ų5226%0.25728%0.275SS..Hα-helixtrans-96.7-36.7-167.5-60.4-55.4-44.300115.2Y231 H232Y231-Q235 HydrophobicContact CD2-CG 3.93Å; Y231-Q235 HydrophobicContact CE1-CB 4.39Å; Y231-Q235 HydrophobicContact CE1-CG 4.25Å; Y231-Q235 HydrophobicContact CE2-CB 4.46Å; Y231-Q235 HydrophobicContact CE2-CG 3.52Å; Y231-Q235 HydrophobicContact CG-CG 4.5Å; Y231-Q235 WeakPolarHBondContact O-CG 3.35Å; Y231-Q235 PolarHBondContact O-N 3.4Å; H232-Q235 PolarHBondContact O-N 2.98Å
236N83.8Confident84.3Confident60 Ų6052.3 Ų52.332%0.32128%0.275SS..SBendtrans-96.7169.2-170.5-62.3-25.4000111.8H232 K260H232-N236 PolarHBondContact CD2-ND2 3.19Å; H232-N236 PolarHBondContact CE1-ND2 3.39Å; H232-N236 VanDerWaalsContact CG-ND2 3.26Å; H232-N236 PolarHBondContact ND1-ND2 3.44Å; H232-N236 PolarHBondContact NE2-ND2 2.96Å; H232-N236 WeakPolarHBondContact O-CB 3.45Å; H232-N236 PolarHBondContact O-N 3.25Å; N236-K260 PolarHBondContact O-NZ 3.31Å
237D86.8Confident85.4Confident148 Ų14854.6 Ų54.679%0.79129%0.289SS*.PPolyproline II helixtrans-59.1152.7178.5-64.4-29.3000111.9
238S91.8Very high86.6Confident49 Ų4957.6 Ų57.634%0.34331%0.306SS..PPolyproline II helixtrans-60.9140.4177.549.10000110.7L258S238-L258 WeakPolarHBondContact CB-O 3.39Å; S238-L258 PolarHBondContact OG-O 2.85Å
239P94.7Very high87.8Confident36 Ų3657.5 Ų57.523%0.23431%0.305CS..PPolyproline II helixtrans-67.7157.5176.328.1-31.4000111.2I209 I212 P220 L258I209-P239 HydrophobicContact CD1-CG 3.7Å; I212-P239 HydrophobicContact CD1-CB 4.22Å; I212-P239 HydrophobicContact CD1-CG 4.28Å; P220-P239 HydrophobicContact CB-CB 3.88Å; P220-P239 HydrophobicContact CB-CG 4.14Å; P220-P239 HydrophobicContact CG-CB 3.59Å; P220-P239 HydrophobicContact CG-CG 3.74Å; P239-L258 HydrophobicContact CG-CD1 4.11Å; P239-L258 WeakPolarHBondContact O-CD1 3.48Å
240T95.1Very high88.8Confident52 Ų5257.5 Ų57.532%0.31931%0.305SS..  trans-136.3166.7173.1-168.60000109.7Q242 D255T240-Q242 PolarHBondContact O-N 2.9Å; T240-Q242 PolarHBondContact O-NE2 3.05Å; T240-Q242 VanDerWaalsContact O-NE2 3.12Å; T240-D255 PolarHBondContact OG1-OD1 3.47Å
241L93.7Very high89.6Confident2 Ų259.2 Ų59.21%0.0131%0.311CS..  trans-63.4124.6176.2-71167.7000110.5I212 A215 W246 F250 R251 V254I212-L241 HydrophobicContact CB-CD2 4.47Å; I212-L241 HydrophobicContact CG1-CD2 4.07Å; I212-L241 HydrophobicContact CG1-CG 4.5Å; A215-L241 HydrophobicContact CB-CD2 3.59Å; L241-W246 HydrophobicContact CD1-CB 4.19Å; L241-W246 HydrophobicContact CD1-CG 4.05Å; L241-F250 HydrophobicContact CD1-CD1 3.78Å; L241-F250 HydrophobicContact CD1-CE1 3.66Å; L241-F250 HydrophobicContact CD1-CE2 4.47Å; L241-F250 HydrophobicContact CD1-CG 4.22Å; L241-F250 HydrophobicContact CD1-CZ 4.03Å; L241-F250 HydrophobicContact CD2-CE1 4.36Å; L241-F250 HydrophobicContact CD2-CZ 4.47Å; L241-R251 PolarHBondContact O-NH1 2.92Å; L241-V254 HydrophobicContact CD1-CB 4.49Å; L241-V254 HydrophobicContact CD1-CG2 3.99Å; L241-V254 HydrophobicContact CG-CG1 4.5Å; L241-V254 HydrophobicContact CG-CG2 4.31Å
242Q88.9Confident90.8Very high145 Ų14564.4 Ų64.468%0.67833%0.33SS*.SBendtrans-72.9-37.3-175.1-61.8-59.3-57.500112.8E216 T240E216-Q242 PolarHBondContact OE1-N 3.42Å; T240-Q242 PolarHBondContact O-N 2.9Å; T240-Q242 PolarHBondContact O-NE2 3.05Å; T240-Q242 VanDerWaalsContact O-NE2 3.12Å
243S87.8Confident91.8Very high38 Ų3861.8 Ų61.827%0.26632%0.318SS..  trans-80.3139.5-178-173.50000111.7E245 R251S243-E245 VanDerWaalsContact C-N 3.28Å; S243-E245 VanDerWaalsContact CB-OE1 3.26Å; S243-E245 WeakPolarHBondContact CB-OE1 3.46Å; S243-E245 VanDerWaalsContact OG-CD 3.25Å; S243-E245 WeakPolarHBondContact OG-CG 3.4Å; S243-E245 PolarHBondContact OG-N 3.44Å; S243-E245 PolarHBondContact OG-OE1 2.88Å; S243-R251 PolarHBondContact O-NH2 2.92Å
244N86.4Confident92.3Very high144 Ų14461 Ų6177%0.7732%0.315SS*.THydrogen-bonded Turntrans-84.31.7174.4-71.3-28000113.6W246N244-W246 VanDerWaalsContact C-N 3.31Å; N244-W246 PolarHBondContact O-N 3.25Å
245E91.7Very high93.1Very high149 Ų14962.9 Ų62.970%0.69632%0.322SS*.THydrogen-bonded Turntrans-74.8-19.9-179.175.7-163.311000114S243S243-E245 VanDerWaalsContact C-N 3.28Å; S243-E245 VanDerWaalsContact CB-OE1 3.26Å; S243-E245 WeakPolarHBondContact CB-OE1 3.46Å; S243-E245 VanDerWaalsContact OG-CD 3.25Å; S243-E245 WeakPolarHBondContact OG-CG 3.4Å; S243-E245 PolarHBondContact OG-N 3.44Å; S243-E245 PolarHBondContact OG-OE1 2.88Å
246W97.1Very high94.1Very high25 Ų2565.1 Ų65.110%0.09533%0.329CS..SBendtrans-75.2143.6-178.9-58.4114.4000112.2E121 I124 A215 L241 N244 F250E121-W246 HydrophobicContact CB-CE3 3.99Å; E121-W246 HydrophobicContact CB-CZ3 3.84Å; E121-W246 HydrophobicContact CG-CE3 4.17Å; E121-W246 HydrophobicContact CG-CZ3 4.42Å; I124-W246 HydrophobicContact CD1-CH2 4.08Å; I124-W246 HydrophobicContact CD1-CZ3 4.17Å; A215-W246 HydrophobicContact CB-CH2 4.12Å; A215-W246 HydrophobicContact CB-CZ2 3.52Å; L241-W246 HydrophobicContact CD1-CB 4.19Å; L241-W246 HydrophobicContact CD1-CG 4.05Å; N244-W246 VanDerWaalsContact C-N 3.31Å; N244-W246 PolarHBondContact O-N 3.25Å; W246-F250 HydrophobicContact CB-CD1 3.89Å; W246-F250 AromaticContact CD2-CD1 3.83Å; W246-F250 HydrophobicContact CD2-CD1 3.83Å; W246-F250 AromaticContact CD2-CE1 3.82Å; W246-F250 HydrophobicContact CD2-CE1 3.82Å; W246-F250 AromaticContact CE3-CD1 3.66Å; W246-F250 HydrophobicContact CE3-CD1 3.66Å; W246-F250 AromaticContact CE3-CE1 3.75Å; W246-F250 HydrophobicContact CE3-CE1 3.75Å; W246-F250 AromaticContact CG-CD1 3.94Å; W246-F250 HydrophobicContact CG-CD1 3.94Å; W246-F250 HydrophobicContact CG-CE1 4.18Å; W246-F250 HydrophobicContact CZ3-CD1 4.47Å; W246-F250 HydrophobicContact CZ3-CE1 4.24Å
247T97Very high94.8Very high51 Ų5162.2 Ų62.231%0.31331%0.314SS..  trans-65.4152.1-179.871.40000112.3E121 S249 F250 R251 R279E121-T247 WeakPolarHBondContact OE1-CB 3.49Å; E121-T247 VanDerWaalsContact OE1-CG2 3.27Å; E121-T247 WeakPolarHBondContact OE1-CG2 3.3Å; E121-T247 PolarHBondContact OE1-OG1 3.2Å; E121-T247 WeakPolarHBondContact OE2-CG2 3.46Å; E121-T247 PolarHBondContact OE2-N 3.3Å; E121-T247 PolarHBondContact OE2-OG1 3.07Å; T247-S249 PolarHBondContact O-N 3.31Å; T247-S249 VanDerWaalsContact O-N 3.1Å; T247-F250 PolarHBondContact O-N 2.97Å; T247-F250 PolarHBondContact OG1-N 2.91Å; T247-R251 PolarHBondContact O-N 2.97Å; T247-R279 PolarHBondContact OG1-NH1 3.37Å
248D96.4Very high95.3Very high118 Ų11855.2 Ų55.263%0.63128%0.276SS*.Hα-helixtrans-57.9-26.8175.4-68.9-37.3000112.9R252D248-R252 VanDerWaalsContact O-CB 3.27Å; D248-R252 WeakPolarHBondContact O-CB 3.5Å; D248-R252 VanDerWaalsContact O-CG 3.23Å; D248-R252 WeakPolarHBondContact O-CG 3.5Å; D248-R252 PolarHBondContact O-N 3.49Å; D248-R252 VanDerWaalsContact O-N 3.08Å; D248-R252 PolarHBondContact O-NE 3.34Å
249S97.5Very high95.6Very high7 Ų755.9 Ų55.95%0.04927%0.274CS..Hα-helixtrans-67.7-44.6175-166.70000111T247 F253 H274 D275 F276T247-S249 PolarHBondContact O-N 3.31Å; T247-S249 VanDerWaalsContact O-N 3.1Å; S249-F253 WeakPolarHBondContact O-CB 3.24Å; S249-F253 PolarHBondContact O-N 2.98Å; S249-H274 PolarHBondContact O-CE1 2.87Å; S249-D275 WeakPolarHBondContact CB-OD2 3.47Å; S249-D275 PolarHBondContact OG-OD2 3.48Å; S249-F276 WeakPolarHBondContact OG-CA 3.42Å; S249-F276 PolarHBondContact OG-N 3.09Å
250F98.3Very high95.6Very high0 Ų056.6 Ų56.60%027%0.273CS..Hα-helixtrans-68.7-44.8177.5-176.7-151.5000112.1E121 I124 C211 A215 L241 W246 T247 R252 F253 V254 F276E121-F250 HydrophobicContact CG-CB 4.21Å; E121-F250 HydrophobicContact CG-CD1 3.95Å; E121-F250 HydrophobicContact CG-CG 4.23Å; I124-F250 HydrophobicContact CD1-CE1 4.15Å; I124-F250 HydrophobicContact CD1-CZ 4.17Å; I124-F250 HydrophobicContact CG2-CE2 4.05Å; I124-F250 HydrophobicContact CG2-CZ 3.85Å; C211-F250 HydrophobicContact CB-CE2 3.89Å; C211-F250 HydrophobicContact CB-CZ 4.16Å; A215-F250 HydrophobicContact CB-CE1 4.15Å; A215-F250 HydrophobicContact CB-CZ 4.31Å; L241-F250 HydrophobicContact CD1-CD1 3.78Å; L241-F250 HydrophobicContact CD1-CE1 3.66Å; L241-F250 HydrophobicContact CD1-CE2 4.47Å; L241-F250 HydrophobicContact CD1-CG 4.22Å; L241-F250 HydrophobicContact CD1-CZ 4.03Å; L241-F250 HydrophobicContact CD2-CE1 4.36Å; L241-F250 HydrophobicContact CD2-CZ 4.47Å; W246-F250 HydrophobicContact CB-CD1 3.89Å; W246-F250 AromaticContact CD2-CD1 3.83Å; W246-F250 HydrophobicContact CD2-CD1 3.83Å; W246-F250 AromaticContact CD2-CE1 3.82Å; W246-F250 HydrophobicContact CD2-CE1 3.82Å; W246-F250 AromaticContact CE3-CD1 3.66Å; W246-F250 HydrophobicContact CE3-CD1 3.66Å; W246-F250 AromaticContact CE3-CE1 3.75Å; W246-F250 HydrophobicContact CE3-CE1 3.75Å; W246-F250 AromaticContact CG-CD1 3.94Å; W246-F250 HydrophobicContact CG-CD1 3.94Å; W246-F250 HydrophobicContact CG-CE1 4.18Å; W246-F250 HydrophobicContact CZ3-CD1 4.47Å; W246-F250 HydrophobicContact CZ3-CE1 4.24Å; T247-F250 PolarHBondContact O-N 2.97Å; T247-F250 PolarHBondContact OG1-N 2.91Å; F250-R252 PolarHBondContact O-N 3.39Å; F250-F253 WeakPolarHBondContact O-CB 3.37Å; F250-F253 PolarHBondContact O-N 3.25Å; F250-F253 VanDerWaalsContact O-N 3.15Å; F250-V254 HydrophobicContact CD2-CG2 4.01Å; F250-V254 HydrophobicContact CE2-CG2 3.62Å; F250-V254 HydrophobicContact CZ-CG2 4.2Å; F250-V254 PolarHBondContact O-N 3.41Å; F250-F276 HydrophobicContact CB-CD2 3.6Å; F250-F276 HydrophobicContact CB-CE2 3.49Å; F250-F276 VanDerWaalsContact CB-CE2 3.49Å; F250-F276 HydrophobicContact CB-CG 4.48Å; F250-F276 HydrophobicContact CB-CZ 4.31Å; F250-F276 HydrophobicContact CD1-CE2 4.35Å; F250-F276 HydrophobicContact CD2-CD1 4.15Å; F250-F276 AromaticContact CD2-CD2 3.86Å; F250-F276 HydrophobicContact CD2-CD2 3.86Å; F250-F276 AromaticContact CD2-CE1 3.63Å; F250-F276 HydrophobicContact CD2-CE1 3.63Å; F250-F276 AromaticContact CD2-CE2 3.3Å; F250-F276 HydrophobicContact CD2-CE2 3.3Å; F250-F276 HydrophobicContact CD2-CG 4.26Å; F250-F276 AromaticContact CD2-CZ 3.18Å; F250-F276 HydrophobicContact CD2-CZ 3.18Å; F250-F276 AromaticContact CE2-CE1 3.92Å; F250-F276 HydrophobicContact CE2-CE1 3.92Å; F250-F276 HydrophobicContact CE2-CE2 4.12Å; F250-F276 AromaticContact CE2-CZ 3.55Å; F250-F276 HydrophobicContact CE2-CZ 3.55Å; F250-F276 HydrophobicContact CG-CD2 4.02Å; F250-F276 AromaticContact CG-CE2 3.46Å; F250-F276 HydrophobicContact CG-CE2 3.46Å; F250-F276 VanDerWaalsContact CG-CE2 3.46Å; F250-F276 AromaticContact CG-CZ 3.8Å; F250-F276 HydrophobicContact CG-CZ 3.8Å; F250-F276 HydrophobicContact CZ-CZ 4.42Å
251R97.8Very high95.4Very high43 Ų4358.1 Ų58.116%0.16228%0.279CS..Hα-helixtrans-58-50177-172.6179.7-57.7-73.6-8.3111.9L241 S243 T247 F253 V254 D255L241-R251 PolarHBondContact O-NH1 2.92Å; S243-R251 PolarHBondContact O-NH2 2.92Å; T247-R251 PolarHBondContact O-N 2.97Å; R251-F253 VanDerWaalsContact C-N 3.27Å; R251-F253 PolarHBondContact O-N 2.99Å; R251-V254 PolarHBondContact O-N 3.37Å; R251-V254 VanDerWaalsContact O-N 3.14Å; R251-D255 VanDerWaalsContact O-CG 3.29Å; R251-D255 PolarHBondContact O-N 3.05Å
252R97.4Very high95.5Very high145 Ų14559.5 Ų59.555%0.54729%0.288SS..Hα-helixtrans-60.8-35.8176.5-75.1-177.5-68.8154-4.3112.6D248 F250 Y256D248-R252 VanDerWaalsContact O-CB 3.27Å; D248-R252 WeakPolarHBondContact O-CB 3.5Å; D248-R252 VanDerWaalsContact O-CG 3.23Å; D248-R252 WeakPolarHBondContact O-CG 3.5Å; D248-R252 PolarHBondContact O-N 3.49Å; D248-R252 VanDerWaalsContact O-N 3.08Å; D248-R252 PolarHBondContact O-NE 3.34Å; F250-R252 PolarHBondContact O-N 3.39Å; R252-Y256 WeakPolarHBondContact O-CB 3.46Å; R252-Y256 PolarHBondContact O-N 2.64Å
253F98.7Very high95.8Very high0 Ų059.9 Ų59.90%029%0.289CS..Hα-helixtrans-61.7-46.9174.9-178.8-86.3000111.5T128 L132 L207 S249 F250 R251 Y256 C257 L271 H274 F276 V277T128-F253 HydrophobicContact CG2-CE1 3.56Å; T128-F253 HydrophobicContact CG2-CE2 4.46Å; T128-F253 HydrophobicContact CG2-CZ 3.46Å; T128-F253 VanDerWaalsContact CG2-CZ 3.46Å; L132-F253 HydrophobicContact CD1-CE2 3.98Å; L132-F253 HydrophobicContact CD1-CZ 3.86Å; L207-F253 HydrophobicContact CD2-CZ 4.49Å; S249-F253 WeakPolarHBondContact O-CB 3.24Å; S249-F253 PolarHBondContact O-N 2.98Å; F250-F253 WeakPolarHBondContact O-CB 3.37Å; F250-F253 PolarHBondContact O-N 3.25Å; F250-F253 VanDerWaalsContact O-N 3.15Å; R251-F253 VanDerWaalsContact C-N 3.27Å; R251-F253 PolarHBondContact O-N 2.99Å; F253-Y256 PolarHBondContact O-N 3.04Å; F253-C257 VanDerWaalsContact CE1-SG 3.56Å; F253-C257 PolarHBondContact O-N 3.5Å; F253-C257 PolarHBondContact O-SG 3Å; F253-L271 HydrophobicContact CD2-CD2 4Å; F253-L271 HydrophobicContact CE2-CB 4.22Å; F253-L271 HydrophobicContact CE2-CD2 3.74Å; F253-L271 HydrophobicContact CE2-CG 4.43Å; F253-L271 HydrophobicContact CZ-CD2 4.35Å; F253-H274 HydrophobicContact CD2-CB 3.97Å; F253-H274 AromaticContact CD2-CG 3.74Å; F253-H274 AromaticContact CD2-ND1 3.59Å; F253-H274 HydrophobicContact CE2-CB 4.34Å; F253-F276 HydrophobicContact CB-CB 3.78Å; F253-F276 HydrophobicContact CB-CD1 3.9Å; F253-F276 HydrophobicContact CB-CG 3.97Å; F253-F276 AromaticContact CD1-CD1 3.73Å; F253-F276 HydrophobicContact CD1-CD1 3.73Å; F253-F276 HydrophobicContact CD1-CE1 4.12Å; F253-F276 HydrophobicContact CD2-CB 3.98Å; F253-F276 AromaticContact CD2-CD1 3.77Å; F253-F276 HydrophobicContact CD2-CD1 3.77Å; F253-F276 HydrophobicContact CD2-CG 4.32Å; F253-F276 HydrophobicContact CE1-CD1 4.2Å; F253-F276 HydrophobicContact CE1-CE1 4.43Å; F253-F276 HydrophobicContact CE2-CD1 4.21Å; F253-F276 HydrophobicContact CG-CB 4.04Å; F253-F276 AromaticContact CG-CD1 3.51Å; F253-F276 HydrophobicContact CG-CD1 3.51Å; F253-F276 HydrophobicContact CG-CE1 4.35Å; F253-F276 HydrophobicContact CG-CG 4.06Å; F253-F276 HydrophobicContact CZ-CD1 4.42Å; F253-V277 HydrophobicContact CD2-CG1 4.48Å; F253-V277 HydrophobicContact CE2-CG1 3.89Å; F253-V277 HydrophobicContact CZ-CG1 4.29Å
254V98.6Very high96.2Very high0 Ų063.5 Ų63.50%030%0.302CS..Hα-helixtrans-63.8-49.3178173.20000111C211 I212 L241 F250 R251 Y256 C257 L258C211-V254 HydrophobicContact CB-CG2 3.83Å; I212-V254 HydrophobicContact CD1-CG1 3.99Å; I212-V254 HydrophobicContact CG1-CG1 3.85Å; L241-V254 HydrophobicContact CD1-CB 4.49Å; L241-V254 HydrophobicContact CD1-CG2 3.99Å; L241-V254 HydrophobicContact CG-CG1 4.5Å; L241-V254 HydrophobicContact CG-CG2 4.31Å; F250-V254 HydrophobicContact CD2-CG2 4.01Å; F250-V254 HydrophobicContact CE2-CG2 3.62Å; F250-V254 HydrophobicContact CZ-CG2 4.2Å; F250-V254 PolarHBondContact O-N 3.41Å; R251-V254 PolarHBondContact O-N 3.37Å; R251-V254 VanDerWaalsContact O-N 3.14Å; V254-Y256 PolarHBondContact O-N 3.47Å; V254-C257 WeakPolarHBondContact O-CB 3.43Å; V254-C257 PolarHBondContact O-N 2.91Å; V254-C257 VanDerWaalsContact O-N 3.14Å; V254-L258 HydrophobicContact CG1-CD1 3.64Å; V254-L258 HydrophobicContact CG1-CG 4.37Å; V254-L258 WeakPolarHBondContact O-CB 3.49Å; V254-L258 WeakPolarHBondContact O-CG 3.39Å; V254-L258 PolarHBondContact O-N 3.08Å
255D97.9Very high96.8Very high54 Ų5456.8 Ų56.829%0.28927%0.266SS..Hα-helixtrans-61.4-33.2179.2-62.6-24000111.9T240 R251 L258 Q259T240-D255 PolarHBondContact OG1-OD1 3.47Å; R251-D255 VanDerWaalsContact O-CG 3.29Å; R251-D255 PolarHBondContact O-N 3.05Å; D255-L258 PolarHBondContact O-N 2.75Å; D255-Q259 PolarHBondContact O-N 2.92Å; D255-Q259 PolarHBondContact O-NE2 3.5Å
256Y98.3Very high97.1Very high101 Ų10149.8 Ų49.840%0.39623%0.233SC..Hα-helixtrans-74.5-37.2177.3-160.4-156.6000112R252 F253 V254 L258 Q259 P266 L271R252-Y256 WeakPolarHBondContact O-CB 3.46Å; R252-Y256 PolarHBondContact O-N 2.64Å; F253-Y256 PolarHBondContact O-N 3.04Å; V254-Y256 PolarHBondContact O-N 3.47Å; Y256-L258 VanDerWaalsContact C-N 3.29Å; Y256-L258 PolarHBondContact O-N 3.21Å; Y256-Q259 HydrophobicContact CD2-CG 4.26Å; Y256-Q259 WeakPolarHBondContact O-CG 3.43Å; Y256-P266 HydrophobicContact CD1-CB 4.19Å; Y256-P266 HydrophobicContact CD1-CG 3.65Å; Y256-P266 HydrophobicContact CD2-CG 4Å; Y256-P266 HydrophobicContact CE1-CB 3.72Å; Y256-P266 HydrophobicContact CE1-CG 3.72Å; Y256-P266 HydrophobicContact CE2-CB 4.26Å; Y256-P266 HydrophobicContact CE2-CG 4.06Å; Y256-P266 HydrophobicContact CG-CG 3.79Å; Y256-P266 WeakPolarHBondContact O-CD 3.39Å; Y256-L271 HydrophobicContact CD1-CD2 4.06Å
257C98.6Very high97.2Very high0 Ų050.9 Ų50.90%024%0.243CC..Hα-helixtrans-64.3-33.9171.5-66.40000112.4I204 F253 V254 R265 L271I204-C257 HydrophobicContact CG2-CB 4.13Å; F253-C257 VanDerWaalsContact CE1-SG 3.56Å; F253-C257 PolarHBondContact O-N 3.5Å; F253-C257 PolarHBondContact O-SG 3Å; V254-C257 WeakPolarHBondContact O-CB 3.43Å; V254-C257 PolarHBondContact O-N 2.91Å; V254-C257 VanDerWaalsContact O-N 3.14Å; C257-R265 WeakPolarHBondContact O-CD 3.44Å; C257-R265 WeakPolarHBondContact O-CG 3.34Å; C257-R265 PolarHBondContact O-NE 3.26Å; C257-L271 VanDerWaalsContact SG-CD1 3.56Å
258L98.5Very high97.2Very high0 Ų048.6 Ų48.60%023%0.229CC..THydrogen-bonded Turntrans-96.922.8-173-61.7177.9000113.9W205 I209 I212 S238 P239 V254 D255 Y256 K260W205-L258 HydrophobicContact CD2-CD2 3.76Å; W205-L258 HydrophobicContact CE3-CB 4.41Å; W205-L258 HydrophobicContact CE3-CD2 3.99Å; W205-L258 HydrophobicContact CG-CD2 4.13Å; W205-L258 HydrophobicContact CZ2-CD2 4.33Å; W205-L258 HydrophobicContact CZ3-CB 4.26Å; W205-L258 HydrophobicContact CZ3-CD2 4.39Å; W205-L258 WeakPolarHBondContact CZ3-O 3.36Å; W205-L258 WeakPolarHBondContact O-CD2 3.32Å; I209-L258 HydrophobicContact CD1-CD1 4.23Å; I209-L258 HydrophobicContact CD1-CD2 3.68Å; I209-L258 HydrophobicContact CG1-CD2 3.93Å; I212-L258 HydrophobicContact CD1-CD1 3.7Å; S238-L258 WeakPolarHBondContact CB-O 3.39Å; S238-L258 PolarHBondContact OG-O 2.85Å; P239-L258 HydrophobicContact CG-CD1 4.11Å; P239-L258 WeakPolarHBondContact O-CD1 3.48Å; V254-L258 HydrophobicContact CG1-CD1 3.64Å; V254-L258 HydrophobicContact CG1-CG 4.37Å; V254-L258 WeakPolarHBondContact O-CB 3.49Å; V254-L258 WeakPolarHBondContact O-CG 3.39Å; V254-L258 PolarHBondContact O-N 3.08Å; D255-L258 PolarHBondContact O-N 2.75Å; Y256-L258 VanDerWaalsContact C-N 3.29Å; Y256-L258 PolarHBondContact O-N 3.21Å; L258-K260 PolarHBondContact O-N 2.97Å
259Q98Very high97.3Very high64 Ų6445.4 Ų45.430%0.29922%0.219SC..  trans-61119.3167.1-66.4-60.2-33.900109.9D255 Y256 I261 E264 R265D255-Q259 PolarHBondContact O-N 2.92Å; D255-Q259 PolarHBondContact O-NE2 3.5Å; Y256-Q259 HydrophobicContact CD2-CG 4.26Å; Y256-Q259 WeakPolarHBondContact O-CG 3.43Å; Q259-I261 VanDerWaalsContact C-N 3.32Å; Q259-I261 PolarHBondContact O-N 3.24Å; Q259-E264 HydrophobicContact CB-CB 4.26Å; Q259-E264 HydrophobicContact CG-CB 4.48Å; Q259-R265 HydrophobicContact CB-CB 3.99Å; Q259-R265 HydrophobicContact CB-CG 4.38Å; Q259-R265 VanDerWaalsContact O-CZ 3.23Å; Q259-R265 PolarHBondContact O-NE 3.41Å; Q259-R265 PolarHBondContact O-NH2 3.47Å
260K93.6Very high97.3Very high51 Ų5149.4 Ų49.422%0.22224%0.237CC..SBendtrans-65-36.6-176.9-70.7-167.469.3170.70112.4P187 W205 I233 A234 N236 L258 P262 R265P187-K260 HydrophobicContact CG-CG 4.32Å; W205-K260 HydrophobicContact CH2-CG 3.95Å; W205-K260 HydrophobicContact CZ3-CB 4.48Å; W205-K260 HydrophobicContact CZ3-CG 3.89Å; I233-K260 PolarHBondContact O-NZ 3.09Å; A234-K260 PolarHBondContact O-NZ 2.95Å; N236-K260 PolarHBondContact O-NZ 3.31Å; L258-K260 PolarHBondContact O-N 2.97Å; K260-P262 WeakPolarHBondContact O-CD 3.45Å; K260-R265 PolarHBondContact O-NH2 2.94Å
261I92.2Very high97.3Very high84 Ų8449.4 Ų49.443%0.43124%0.237SC..SBendtrans-80.1117.4178.1-55.7-56000109Q259 Q263 E264 R265Q259-I261 VanDerWaalsContact C-N 3.32Å; Q259-I261 PolarHBondContact O-N 3.24Å; I261-Q263 HydrophobicContact CG2-CB 4.27Å; I261-Q263 PolarHBondContact O-N 2.99Å; I261-Q263 VanDerWaalsContact O-N 3.13Å; I261-E264 HydrophobicContact CB-CB 4.34Å; I261-E264 HydrophobicContact CB-CG 4.15Å; I261-E264 HydrophobicContact CG2-CG 4.19Å; I261-E264 PolarHBondContact O-N 2.99Å; I261-R265 PolarHBondContact O-N 2.85Å; I261-R265 VanDerWaalsContact O-N 3.16Å
262P94.4Very high97.3Very high30 Ų3049 Ų4920%0.19524%0.238CC..THydrogen-bonded Turntrans-60-28.5-175.2-25.835.4000113.8E188 K201 K260 E264 R265E188-P262 HydrophobicContact CB-CG 4.04Å; E188-P262 HydrophobicContact CG-CG 3.91Å; K201-P262 WeakPolarHBondContact CD-O 3.45Å; K201-P262 PolarHBondContact NZ-O 2.89Å; K260-P262 WeakPolarHBondContact O-CD 3.45Å; P262-E264 VanDerWaalsContact C-N 3.3Å; P262-E264 PolarHBondContact O-N 3.33Å; P262-R265 PolarHBondContact O-N 2.98Å
263Q95Very high97.3Very high153 Ų15350.8 Ų50.872%0.71525%0.245SC*.THydrogen-bonded Turntrans-67.9-31.2177.6-66.375.712.700112.2I261I261-Q263 HydrophobicContact CG2-CB 4.27Å; I261-Q263 PolarHBondContact O-N 2.99Å; I261-Q263 VanDerWaalsContact O-N 3.13Å
264E96.9Very high97.3Very high115 Ų11552.2 Ų52.254%0.53725%0.251SS..THydrogen-bonded Turntrans-86.6-21.6178.5-63.4174.7179.700112.1Q259 I261 P262Q259-E264 HydrophobicContact CB-CB 4.26Å; Q259-E264 HydrophobicContact CG-CB 4.48Å; I261-E264 HydrophobicContact CB-CB 4.34Å; I261-E264 HydrophobicContact CB-CG 4.15Å; I261-E264 HydrophobicContact CG2-CG 4.19Å; I261-E264 PolarHBondContact O-N 2.99Å; P262-E264 VanDerWaalsContact C-N 3.3Å; P262-E264 PolarHBondContact O-N 3.33Å
265R98.4Very high97.3Very high2 Ų256.4 Ų56.41%0.00827%0.274CS..SBendtrans-71.9131.8175.1-160.8-178.6-55.2143.69.8110.6E188 K201 I204 C257 Q259 K260 I261 P262E188-R265 IonicContact OE1-CZ 3.52Å; E188-R265 IonicContact OE1-NH1 3.46Å; E188-R265 PolarHBondContact OE1-NH1 3.18Å; E188-R265 IonicContact OE1-NH2 3.72Å; E188-R265 PolarHBondContact OE1-NH2 2.91Å; E188-R265 IonicContact OE2-CZ 3.45Å; E188-R265 IonicContact OE2-NH1 2.77Å; E188-R265 IonicContact OE2-NH2 2.96Å; E188-R265 PolarHBondContact OE2-NH2 2.8Å; K201-R265 HydrophobicContact CD-CB 4.46Å; K201-R265 WeakPolarHBondContact CD-O 3.29Å; K201-R265 WeakPolarHBondContact CE-O 3.28Å; K201-R265 PolarHBondContact NZ-O 3.46Å; K201-R265 WeakPolarHBondContact O-CD 3.5Å; K201-R265 PolarHBondContact O-NH1 2.91Å; I204-R265 HydrophobicContact CG2-CG 4.06Å; C257-R265 WeakPolarHBondContact O-CD 3.44Å; C257-R265 WeakPolarHBondContact O-CG 3.34Å; C257-R265 PolarHBondContact O-NE 3.26Å; Q259-R265 HydrophobicContact CB-CB 3.99Å; Q259-R265 HydrophobicContact CB-CG 4.38Å; Q259-R265 VanDerWaalsContact O-CZ 3.23Å; Q259-R265 PolarHBondContact O-NE 3.41Å; Q259-R265 PolarHBondContact O-NH2 3.47Å; K260-R265 PolarHBondContact O-NH2 2.94Å; I261-R265 PolarHBondContact O-N 2.85Å; I261-R265 VanDerWaalsContact O-N 3.16Å; P262-R265 PolarHBondContact O-N 2.98Å
266P98.3Very high97.3Very high2 Ų253.9 Ų53.91%0.01326%0.26CS..PPolyproline II helixtrans-70.6157.9178.232.1-37000111.3Y256 E270 L271Y256-P266 HydrophobicContact CD1-CB 4.19Å; Y256-P266 HydrophobicContact CD1-CG 3.65Å; Y256-P266 HydrophobicContact CD2-CG 4Å; Y256-P266 HydrophobicContact CE1-CB 3.72Å; Y256-P266 HydrophobicContact CE1-CG 3.72Å; Y256-P266 HydrophobicContact CE2-CB 4.26Å; Y256-P266 HydrophobicContact CE2-CG 4.06Å; Y256-P266 HydrophobicContact CG-CG 3.79Å; Y256-P266 WeakPolarHBondContact O-CD 3.39Å; P266-E270 WeakPolarHBondContact CA-OE2 3Å; P266-E270 HydrophobicContact CB-CB 4.05Å; P266-L271 HydrophobicContact CB-CD2 4.38Å; P266-L271 HydrophobicContact CB-CG 4Å; P266-L271 HydrophobicContact CG-CD1 3.8Å; P266-L271 HydrophobicContact CG-CD2 3.65Å; P266-L271 HydrophobicContact CG-CG 3.54Å
267T98.6Very high97.2Very high48 Ų4849.1 Ų49.129%0.29424%0.241SC..PPolyproline II helixtrans-76.3162.8168.362.30000111.2A269 E270 L271T267-A269 PolarHBondContact O-N 3.48Å; T267-E270 WeakPolarHBondContact CB-OE2 3.44Å; T267-E270 PolarHBondContact N-OE2 2.99Å; T267-E270 PolarHBondContact O-N 3.37Å; T267-E270 VanDerWaalsContact O-N 3.17Å; T267-E270 VanDerWaalsContact OG1-CD 3.28Å; T267-E270 WeakPolarHBondContact OG1-CG 3.44Å; T267-E270 PolarHBondContact OG1-N 3.5Å; T267-E270 PolarHBondContact OG1-OE2 2.98Å; T267-L271 PolarHBondContact O-N 3.3Å
268S98.4Very high97Very high4 Ų457.3 Ų57.33%0.02827%0.273CS..Hα-helixtrans-55.3-39.4172.537.80000112.3A136 H139 E270 L271 L272A136-S268 WeakPolarHBondContact CA-OG 3.32Å; H139-S268 PolarHBondContact ND1-OG 2.95Å; S268-E270 PolarHBondContact O-N 3.41Å; S268-L271 PolarHBondContact O-N 2.91Å; S268-L272 WeakPolarHBondContact O-CG 3.37Å; S268-L272 PolarHBondContact O-N 3.34Å; S268-L272 VanDerWaalsContact O-N 3.1Å
269A97.8Very high96.7Very high50 Ų5061.1 Ų61.141%0.41329%0.287SS..Hα-helixtrans-67.1-33.3179.200000113.4T267T267-A269 PolarHBondContact O-N 3.48Å
270E98.1Very high96.4Very high91 Ų9165.7 Ų65.743%0.42531%0.313SS..Hα-helixtrans-73.6-42.5175-72.5161.614700111P266 T267 S268 L272 R273P266-E270 WeakPolarHBondContact CA-OE2 3Å; P266-E270 HydrophobicContact CB-CB 4.05Å; T267-E270 WeakPolarHBondContact CB-OE2 3.44Å; T267-E270 PolarHBondContact N-OE2 2.99Å; T267-E270 PolarHBondContact O-N 3.37Å; T267-E270 VanDerWaalsContact O-N 3.17Å; T267-E270 VanDerWaalsContact OG1-CD 3.28Å; T267-E270 WeakPolarHBondContact OG1-CG 3.44Å; T267-E270 PolarHBondContact OG1-N 3.5Å; T267-E270 PolarHBondContact OG1-OE2 2.98Å; S268-E270 PolarHBondContact O-N 3.41Å; E270-L272 VanDerWaalsContact C-N 3.3Å; E270-L272 PolarHBondContact O-N 3.07Å; E270-R273 WeakPolarHBondContact O-CB 3.36Å; E270-R273 PolarHBondContact O-N 3.36Å
271L98.3Very high96.4Very high1 Ų167 Ų671%0.00532%0.317CS..Hα-helixtrans-66.1-28.4178.7-78.2171.7000114L132 I204 F253 Y256 C257 P266 T267 S268 R273 H274 V277L132-L271 HydrophobicContact CD1-CB 3.94Å; L132-L271 HydrophobicContact CD2-CB 3.86Å; L132-L271 HydrophobicContact CD2-CD1 4.22Å; I204-L271 HydrophobicContact CD1-CD1 4.12Å; I204-L271 HydrophobicContact CG2-CD1 3.34Å; F253-L271 HydrophobicContact CD2-CD2 4Å; F253-L271 HydrophobicContact CE2-CB 4.22Å; F253-L271 HydrophobicContact CE2-CD2 3.74Å; F253-L271 HydrophobicContact CE2-CG 4.43Å; F253-L271 HydrophobicContact CZ-CD2 4.35Å; Y256-L271 HydrophobicContact CD1-CD2 4.06Å; C257-L271 VanDerWaalsContact SG-CD1 3.56Å; P266-L271 HydrophobicContact CB-CD2 4.38Å; P266-L271 HydrophobicContact CB-CG 4Å; P266-L271 HydrophobicContact CG-CD1 3.8Å; P266-L271 HydrophobicContact CG-CD2 3.65Å; P266-L271 HydrophobicContact CG-CG 3.54Å; T267-L271 PolarHBondContact O-N 3.3Å; S268-L271 PolarHBondContact O-N 2.91Å; L271-R273 PolarHBondContact O-N 3.34Å; L271-R273 VanDerWaalsContact O-N 3.1Å; L271-H274 HydrophobicContact CD2-CB 4.49Å; L271-H274 WeakPolarHBondContact O-CB 3.45Å; L271-H274 PolarHBondContact O-N 3.42Å; L271-V277 WeakPolarHBondContact O-CG2 3.45Å
272L98.1Very high96.4Very high35 Ų3567 Ų6718%0.18332%0.322CS..THydrogen-bonded Turntrans-58.4-20.3170-78.8171.9000112.9L132 A136 S268 E270L132-L272 HydrophobicContact CB-CD2 3.7Å; L132-L272 HydrophobicContact CB-CG 4.17Å; L132-L272 HydrophobicContact CD1-CD2 4.47Å; A136-L272 HydrophobicContact CB-CD1 3.7Å; S268-L272 WeakPolarHBondContact O-CG 3.37Å; S268-L272 PolarHBondContact O-N 3.34Å; S268-L272 VanDerWaalsContact O-N 3.1Å; E270-L272 VanDerWaalsContact C-N 3.3Å; E270-L272 PolarHBondContact O-N 3.07Å
273R97.6Very high96.2Very high181 Ų18173.9 Ų73.968%0.68336%0.355SS*.THydrogen-bonded Turntrans-94.3-4.6178-53.8178.6-167.61683.1113.4E270 L271 R278E270-R273 WeakPolarHBondContact O-CB 3.36Å; E270-R273 PolarHBondContact O-N 3.36Å; L271-R273 PolarHBondContact O-N 3.34Å; L271-R273 VanDerWaalsContact O-N 3.1Å; R273-R278 VanDerWaalsContact O-CD 3.22Å; R273-R278 WeakPolarHBondContact O-CD 3.29Å
274H98.3Very high96.2Very high31 Ų3173.7 Ų73.714%0.14435%0.348CS..SBendtrans-69.4144.9-177.5-166.9-82.7000111.5S249 F253 L271 F276 V277 R278S249-H274 PolarHBondContact O-CE1 2.87Å; F253-H274 HydrophobicContact CD2-CB 3.97Å; F253-H274 AromaticContact CD2-CG 3.74Å; F253-H274 AromaticContact CD2-ND1 3.59Å; F253-H274 HydrophobicContact CE2-CB 4.34Å; L271-H274 HydrophobicContact CD2-CB 4.49Å; L271-H274 WeakPolarHBondContact O-CB 3.45Å; L271-H274 PolarHBondContact O-N 3.42Å; H274-F276 VanDerWaalsContact C-N 3.34Å; H274-F276 PolarHBondContact ND1-N 3.47Å; H274-F276 PolarHBondContact O-N 3.39Å; H274-V277 WeakPolarHBondContact O-CG2 3.29Å; H274-V277 PolarHBondContact O-N 3.05Å; H274-R278 PolarHBondContact O-N 2.92Å
275D97.1Very high96.2Very high87 Ų8768.8 Ų68.847%0.46533%0.326SS..Hα-helixtrans-55.4-45.4-176.3-179.371.9000112.5S249 V277 R278 R279S249-D275 WeakPolarHBondContact CB-OD2 3.47Å; S249-D275 PolarHBondContact OG-OD2 3.48Å; D275-V277 VanDerWaalsContact C-N 3.25Å; D275-V277 PolarHBondContact O-N 3.49Å; D275-V277 VanDerWaalsContact O-N 3.09Å; D275-R278 PolarHBondContact O-N 2.71Å; D275-R279 WeakPolarHBondContact O-CB 3.38Å; D275-R279 PolarHBondContact O-N 2.97Å
276F98.2Very high96.1Very high1 Ų169.7 Ų69.70%0.00433%0.331CS..Hα-helixtrans-47.1-42.8179.1177.7-118.2000114.5E121 I124 A125 T128 S249 F250 F253 H274E121-F276 HydrophobicContact CG-CE2 3.87Å; I124-F276 HydrophobicContact CG2-CZ 4.12Å; A125-F276 HydrophobicContact CB-CD2 4.4Å; A125-F276 HydrophobicContact CB-CE1 4.15Å; A125-F276 HydrophobicContact CB-CE2 3.83Å; A125-F276 HydrophobicContact CB-CZ 3.69Å; T128-F276 HydrophobicContact CG2-CE1 4.3Å; S249-F276 WeakPolarHBondContact OG-CA 3.42Å; S249-F276 PolarHBondContact OG-N 3.09Å; F250-F276 HydrophobicContact CB-CD2 3.6Å; F250-F276 HydrophobicContact CB-CE2 3.49Å; F250-F276 VanDerWaalsContact CB-CE2 3.49Å; F250-F276 HydrophobicContact CB-CG 4.48Å; F250-F276 HydrophobicContact CB-CZ 4.31Å; F250-F276 HydrophobicContact CD1-CE2 4.35Å; F250-F276 HydrophobicContact CD2-CD1 4.15Å; F250-F276 AromaticContact CD2-CD2 3.86Å; F250-F276 HydrophobicContact CD2-CD2 3.86Å; F250-F276 AromaticContact CD2-CE1 3.63Å; F250-F276 HydrophobicContact CD2-CE1 3.63Å; F250-F276 AromaticContact CD2-CE2 3.3Å; F250-F276 HydrophobicContact CD2-CE2 3.3Å; F250-F276 HydrophobicContact CD2-CG 4.26Å; F250-F276 AromaticContact CD2-CZ 3.18Å; F250-F276 HydrophobicContact CD2-CZ 3.18Å; F250-F276 AromaticContact CE2-CE1 3.92Å; F250-F276 HydrophobicContact CE2-CE1 3.92Å; F250-F276 HydrophobicContact CE2-CE2 4.12Å; F250-F276 AromaticContact CE2-CZ 3.55Å; F250-F276 HydrophobicContact CE2-CZ 3.55Å; F250-F276 HydrophobicContact CG-CD2 4.02Å; F250-F276 AromaticContact CG-CE2 3.46Å; F250-F276 HydrophobicContact CG-CE2 3.46Å; F250-F276 VanDerWaalsContact CG-CE2 3.46Å; F250-F276 AromaticContact CG-CZ 3.8Å; F250-F276 HydrophobicContact CG-CZ 3.8Å; F250-F276 HydrophobicContact CZ-CZ 4.42Å; F253-F276 HydrophobicContact CB-CB 3.78Å; F253-F276 HydrophobicContact CB-CD1 3.9Å; F253-F276 HydrophobicContact CB-CG 3.97Å; F253-F276 AromaticContact CD1-CD1 3.73Å; F253-F276 HydrophobicContact CD1-CD1 3.73Å; F253-F276 HydrophobicContact CD1-CE1 4.12Å; F253-F276 HydrophobicContact CD2-CB 3.98Å; F253-F276 AromaticContact CD2-CD1 3.77Å; F253-F276 HydrophobicContact CD2-CD1 3.77Å; F253-F276 HydrophobicContact CD2-CG 4.32Å; F253-F276 HydrophobicContact CE1-CD1 4.2Å; F253-F276 HydrophobicContact CE1-CE1 4.43Å; F253-F276 HydrophobicContact CE2-CD1 4.21Å; F253-F276 HydrophobicContact CG-CB 4.04Å; F253-F276 AromaticContact CG-CD1 3.51Å; F253-F276 HydrophobicContact CG-CD1 3.51Å; F253-F276 HydrophobicContact CG-CE1 4.35Å; F253-F276 HydrophobicContact CG-CG 4.06Å; F253-F276 HydrophobicContact CZ-CD1 4.42Å; H274-F276 VanDerWaalsContact C-N 3.34Å; H274-F276 PolarHBondContact ND1-N 3.47Å; H274-F276 PolarHBondContact O-N 3.39Å
277V96.6Very high96Very high1 Ų172.9 Ų72.91%0.00635%0.347CS..Hα-helixtrans-94.4-18-177.2-60.90000113.5T128 H129 L132 F253 L271 H274 D275 R281T128-V277 HydrophobicContact CG2-CG1 4.15Å; H129-V277 HydrophobicContact CB-CB 4.15Å; H129-V277 HydrophobicContact CB-CG1 4.41Å; L132-V277 HydrophobicContact CD1-CG1 4.09Å; L132-V277 HydrophobicContact CD1-CG2 4.36Å; F253-V277 HydrophobicContact CD2-CG1 4.48Å; F253-V277 HydrophobicContact CE2-CG1 3.89Å; F253-V277 HydrophobicContact CZ-CG1 4.29Å; L271-V277 WeakPolarHBondContact O-CG2 3.45Å; H274-V277 WeakPolarHBondContact O-CG2 3.29Å; H274-V277 PolarHBondContact O-N 3.05Å; D275-V277 VanDerWaalsContact C-N 3.25Å; D275-V277 PolarHBondContact O-N 3.49Å; D275-V277 VanDerWaalsContact O-N 3.09Å; V277-R281 PolarHBondContact O-NH1 3.42Å
278R93.8Very high96Very high173 Ų17374.3 Ų74.365%0.65335%0.353SS*.Hα-helixtrans-89.4-20176.4-77.2-177.463.2-162.2-0.5114.2R273 H274 D275 D280R273-R278 VanDerWaalsContact O-CD 3.22Å; R273-R278 WeakPolarHBondContact O-CD 3.29Å; H274-R278 PolarHBondContact O-N 2.92Å; D275-R278 PolarHBondContact O-N 2.71Å; R278-D280 PolarHBondContact O-N 3.25Å
279R92.1Very high95.9Very high80 Ų8074.2 Ų74.230%0.30235%0.352SS..SBendtrans-55136.6179.9-171.3172.468-166.5-2.8110.1E121 T247 D275 R281E121-R279 IonicContact OE1-CZ 3.29Å; E121-R279 IonicContact OE1-NH1 3.03Å; E121-R279 PolarHBondContact OE1-NH1 3.01Å; E121-R279 IonicContact OE1-NH2 3.38Å; E121-R279 PolarHBondContact OE1-NH2 3.31Å; T247-R279 PolarHBondContact OG1-NH1 3.37Å; D275-R279 WeakPolarHBondContact O-CB 3.38Å; D275-R279 PolarHBondContact O-N 2.97Å; R279-R281 PolarHBondContact O-N 3.35Å
280D92.1Very high95.8Very high159 Ų15972 Ų7285%0.8533%0.334SS*.  trans-57.3136.4176.9-72.8-28000110.2R278R278-D280 PolarHBondContact O-N 3.25Å
281R93.8Very high95.7Very high79 Ų7971.7 Ų71.730%0.29833%0.332SS..  trans-143155.5-179.662-176.6173.5-87.44.6109.6H129 V277 R279 I283 V285H129-R281 PolarHBondContact ND1-NH2 2.73Å; V277-R281 PolarHBondContact O-NH1 3.42Å; R279-R281 PolarHBondContact O-N 3.35Å; R281-I283 PolarHBondContact O-N 3.47Å; R281-V285 HydrophobicContact CB-CG2 4.44Å
282P93.4Very high95.5Very high83 Ų8376.2 Ų76.254%0.53935%0.349SS..  trans-56.7138.3175.3-20.229.4000111.4R284 V285P282-R284 PolarHBondContact O-N 2.89Å; P282-V285 HydrophobicContact CB-CG2 3.91Å; P282-V285 HydrophobicContact CG-CG2 4.02Å; P282-V285 WeakPolarHBondContact O-CG2 3.34Å; P282-V285 PolarHBondContact O-N 2.83Å
283I88.8Confident95.4Very high175 Ų17574.5 Ų74.590%0.89734%0.34SS*.THydrogen-bonded Turntrans-62.4-28.6-177.9-62.5169.2000111.2R281R281-I283 PolarHBondContact O-N 3.47Å
284R94.8Very high95.2Very high149 Ų14966.2 Ų66.256%0.56231%0.309SS*.THydrogen-bonded Turntrans-91.95.3-175.1-61.3-178.464.5121.34.1114.8P282 L286 I287 D288P282-R284 PolarHBondContact O-N 2.89Å; R284-L286 VanDerWaalsContact C-N 3.34Å; R284-L286 PolarHBondContact O-N 3.39Å; R284-L286 VanDerWaalsContact O-N 3.15Å; R284-I287 PolarHBondContact O-N 3.05Å; R284-D288 VanDerWaalsContact CB-OD2 3.3Å; R284-D288 WeakPolarHBondContact CB-OD2 3.34Å; R284-D288 IonicContact NE-OD1 3.9Å; R284-D288 PolarHBondContact NE-OD1 3Å; R284-D288 IonicContact NH2-OD1 3.91Å; R284-D288 WeakPolarHBondContact O-CB 3.46Å; R284-D288 VanDerWaalsContact O-CG 3.24Å; R284-D288 PolarHBondContact O-N 2.9Å
285V97.4Very high95Very high13 Ų1368 Ų688%0.07932%0.32CS..Hα-helixtrans-46.1-52.2-174.7166.40000113.2V122 E123 A126 R281 P282 L289V122-V285 HydrophobicContact CB-CG2 4.41Å; V122-V285 HydrophobicContact CG2-CG1 4.43Å; V122-V285 HydrophobicContact CG2-CG2 4.38Å; E123-V285 HydrophobicContact CB-CG1 4.34Å; E123-V285 HydrophobicContact CG-CG1 3.94Å; A126-V285 HydrophobicContact CB-CG1 4.1Å; R281-V285 HydrophobicContact CB-CG2 4.44Å; P282-V285 HydrophobicContact CB-CG2 3.91Å; P282-V285 HydrophobicContact CG-CG2 4.02Å; P282-V285 WeakPolarHBondContact O-CG2 3.34Å; P282-V285 PolarHBondContact O-N 2.83Å; V285-L289 WeakPolarHBondContact O-CB 3.49Å; V285-L289 PolarHBondContact O-N 3.2Å
286L97.3Very high94.7Very high21 Ų2165.1 Ų65.111%0.1131%0.308CS..Hα-helixtrans-75.1-33-177.2-63.7-179.1000112.9A126 I127 L155 G159 V161 R284 L289 I290A126-L286 HydrophobicContact CB-CD1 4.1Å; A126-L286 HydrophobicContact CB-CD2 3.78Å; A126-L286 HydrophobicContact CB-CG 3.83Å; I127-L286 HydrophobicContact CG1-CD2 3.83Å; L155-L286 HydrophobicContact CD2-CD2 4.24Å; G159-L286 WeakPolarHBondContact O-CD1 3.49Å; V161-L286 HydrophobicContact CG2-CD1 3.67Å; R284-L286 VanDerWaalsContact C-N 3.34Å; R284-L286 PolarHBondContact O-N 3.39Å; R284-L286 VanDerWaalsContact O-N 3.15Å; L286-L289 HydrophobicContact CD2-CD2 4.31Å; L286-I290 WeakPolarHBondContact O-CB 3.22Å; L286-I290 WeakPolarHBondContact O-CD1 3.49Å; L286-I290 WeakPolarHBondContact O-CG1 3.36Å; L286-I290 PolarHBondContact O-N 3.34Å
287I96.3Very high94.3Very high69 Ų6965.1 Ų65.135%0.35431%0.308SS..Hα-helixtrans-65.7-45.9176.3-62.2172.1000109.6R284 I290 Q291R284-I287 PolarHBondContact O-N 3.05Å; I287-I290 PolarHBondContact O-N 2.97Å; I287-Q291 PolarHBondContact O-N 3.36Å
288D96.9Very high93.9Very high78 Ų7869.9 Ų69.942%0.41733%0.326SS..Hα-helixtrans-68.7-37.3-179.7-60.6-19000110.7R284 Q291 R292R284-D288 VanDerWaalsContact CB-OD2 3.3Å; R284-D288 WeakPolarHBondContact CB-OD2 3.34Å; R284-D288 IonicContact NE-OD1 3.9Å; R284-D288 PolarHBondContact NE-OD1 3Å; R284-D288 IonicContact NH2-OD1 3.91Å; R284-D288 WeakPolarHBondContact O-CB 3.46Å; R284-D288 VanDerWaalsContact O-CG 3.24Å; R284-D288 PolarHBondContact O-N 2.9Å; D288-Q291 PolarHBondContact O-N 2.92Å; D288-R292 VanDerWaalsContact O-CB 3.28Å; D288-R292 WeakPolarHBondContact O-CB 3.49Å; D288-R292 PolarHBondContact O-N 2.95Å
289L97.1Very high93.6Very high1 Ų169.6 Ų69.61%0.00533%0.332CS..Hα-helixtrans-60.7-46.2170.7170.559.2000111.9L111 L119 E123 I127 V285 L286 R292 T293L111-L289 HydrophobicContact CD1-CD2 3.9Å; L111-L289 HydrophobicContact CD1-CG 4.36Å; L119-L289 HydrophobicContact CD1-CD2 4.48Å; L119-L289 HydrophobicContact CD2-CD1 4.2Å; E123-L289 HydrophobicContact CB-CD2 4Å; E123-L289 HydrophobicContact CG-CB 4.33Å; E123-L289 HydrophobicContact CG-CD2 4Å; E123-L289 WeakPolarHBondContact OE1-CD1 3.44Å; I127-L289 HydrophobicContact CD1-CD2 4.42Å; V285-L289 WeakPolarHBondContact O-CB 3.49Å; V285-L289 PolarHBondContact O-N 3.2Å; L286-L289 HydrophobicContact CD2-CD2 4.31Å; L289-R292 PolarHBondContact O-N 3.17Å; L289-T293 WeakPolarHBondContact O-CB 3.45Å; L289-T293 PolarHBondContact O-N 3Å; L289-T293 PolarHBondContact O-OG1 3Å
290I95.9Very high93.2Very high5 Ų567.3 Ų67.33%0.02633%0.326CS..Hα-helixtrans-61-47.3177.2-73.8164.9000110.3L105 L155 T156 L286 I287 R292 T293 K294L105-I290 HydrophobicContact CD1-CG2 3.74Å; L105-I290 HydrophobicContact CD2-CG2 4.29Å; L155-I290 HydrophobicContact CB-CD1 4.45Å; L155-I290 HydrophobicContact CD2-CD1 4.42Å; L155-I290 HydrophobicContact CD2-CG1 4.38Å; T156-I290 WeakPolarHBondContact O-CD1 3.42Å; L286-I290 WeakPolarHBondContact O-CB 3.22Å; L286-I290 WeakPolarHBondContact O-CD1 3.49Å; L286-I290 WeakPolarHBondContact O-CG1 3.36Å; L286-I290 PolarHBondContact O-N 3.34Å; I287-I290 PolarHBondContact O-N 2.97Å; I290-R292 PolarHBondContact O-N 3.44Å; I290-T293 WeakPolarHBondContact O-CB 3.33Å; I290-T293 PolarHBondContact O-N 3.37Å; I290-T293 VanDerWaalsContact O-N 3.13Å; I290-K294 HydrophobicContact CG2-CD 4.24Å; I290-K294 WeakPolarHBondContact O-CG 3.31Å; I290-K294 PolarHBondContact O-N 3.06Å
291Q95.1Very high92.7Very high83 Ų8363.6 Ų63.639%0.38831%0.306SS..Hα-helixtrans-60.2-49.3179.1-172.959.948.600111.2I287 D288 T293 K294 D295I287-Q291 PolarHBondContact O-N 3.36Å; D288-Q291 PolarHBondContact O-N 2.92Å; Q291-T293 PolarHBondContact O-N 3.26Å; Q291-K294 WeakPolarHBondContact O-CB 3.41Å; Q291-K294 PolarHBondContact O-N 2.95Å; Q291-K294 VanDerWaalsContact O-N 3.11Å; Q291-D295 PolarHBondContact NE2-OD1 3.3Å; Q291-D295 PolarHBondContact O-N 3.47Å
292R95.6Very high91.9Very high96 Ų9666.3 Ų66.336%0.36233%0.326SS..Hα-helixtrans-59.7-32.1176.6-169.1176.969.274.92.1112.4H115 E123 D288 L289 I290 A296H115-R292 VanDerWaalsContact CE1-CZ 3.47Å; H115-R292 PolarHBondContact CE1-NH1 2.96Å; H115-R292 PolarHBondContact ND1-NH1 3.35Å; E123-R292 IonicContact OE1-NH2 2.96Å; D288-R292 VanDerWaalsContact O-CB 3.28Å; D288-R292 WeakPolarHBondContact O-CB 3.49Å; D288-R292 PolarHBondContact O-N 2.95Å; L289-R292 PolarHBondContact O-N 3.17Å; I290-R292 PolarHBondContact O-N 3.44Å; R292-A296 VanDerWaalsContact O-CB 3.31Å; R292-A296 WeakPolarHBondContact O-CB 3.46Å; R292-A296 PolarHBondContact O-N 3.42Å
293T94.9Very high90.8Very high0 Ų067.7 Ų67.70%033%0.328CS..Hα-helixtrans-70.9-46.6175.3-55.10000111.1L111 V114 H115 L289 I290 Q291 D295 A296 V297 I311L111-T293 HydrophobicContact CD2-CG2 3.65Å; L111-T293 WeakPolarHBondContact CD2-OG1 3.37Å; V114-T293 HydrophobicContact CB-CG2 4.11Å; V114-T293 HydrophobicContact CG1-CG2 3.88Å; V114-T293 HydrophobicContact CG2-CG2 4.13Å; H115-T293 PolarHBondContact NE2-OG1 3.11Å; L289-T293 WeakPolarHBondContact O-CB 3.45Å; L289-T293 PolarHBondContact O-N 3Å; L289-T293 PolarHBondContact O-OG1 3Å; I290-T293 WeakPolarHBondContact O-CB 3.33Å; I290-T293 PolarHBondContact O-N 3.37Å; I290-T293 VanDerWaalsContact O-N 3.13Å; Q291-T293 PolarHBondContact O-N 3.26Å; T293-D295 VanDerWaalsContact C-N 3.3Å; T293-D295 PolarHBondContact O-N 3.23Å; T293-A296 PolarHBondContact O-N 3.38Å; T293-V297 WeakPolarHBondContact O-CG2 3.36Å; T293-V297 PolarHBondContact O-N 2.9Å; T293-I311 HydrophobicContact CG2-CG2 4.38Å
294K93.9Very high90Very high6 Ų662.7 Ų62.73%0.02630%0.301CS..Hα-helixtrans-57.3-46.2175-70.7172.9166.4-166.30110.8L105 E157 I290 Q291 V297 R298 I311 L312 E315L105-K294 HydrophobicContact CD1-CD 4.38Å; L105-K294 VanDerWaalsContact CD1-CE 3.41Å; L105-K294 HydrophobicContact CD1-CG 4.28Å; E157-K294 IonicContact OE1-NZ 3.81Å; E157-K294 PolarHBondContact OE1-NZ 2.84Å; E157-K294 VanDerWaalsContact OE1-NZ 3.15Å; I290-K294 HydrophobicContact CG2-CD 4.24Å; I290-K294 WeakPolarHBondContact O-CG 3.31Å; I290-K294 PolarHBondContact O-N 3.06Å; Q291-K294 WeakPolarHBondContact O-CB 3.41Å; Q291-K294 PolarHBondContact O-N 2.95Å; Q291-K294 VanDerWaalsContact O-N 3.11Å; K294-V297 PolarHBondContact O-N 3.23Å; K294-R298 WeakPolarHBondContact O-CG 3.35Å; K294-R298 PolarHBondContact O-N 3.4Å; K294-R298 VanDerWaalsContact O-N 3.15Å; K294-I311 HydrophobicContact CG-CG2 4.07Å; K294-L312 HydrophobicContact CB-CD2 3.99Å; K294-L312 HydrophobicContact CG-CD2 4.15Å; K294-E315 VanDerWaalsContact CD-OE1 3.27Å; K294-E315 WeakPolarHBondContact CD-OE1 3.3Å; K294-E315 VanDerWaalsContact CE-OE1 3.3Å; K294-E315 WeakPolarHBondContact CE-OE1 3.44Å; K294-E315 IonicContact NZ-OE1 3.19Å; K294-E315 PolarHBondContact NZ-OE1 2.96Å
295D93.1Very high89.1Confident69 Ų6959.9 Ų59.937%0.36929%0.291SS..Hα-helixtrans-61.2-47.9178.1-59-18000111.1Q291 T293 V297 R298 E299Q291-D295 PolarHBondContact NE2-OD1 3.3Å; Q291-D295 PolarHBondContact O-N 3.47Å; T293-D295 VanDerWaalsContact C-N 3.3Å; T293-D295 PolarHBondContact O-N 3.23Å; D295-V297 VanDerWaalsContact C-N 3.3Å; D295-V297 PolarHBondContact O-N 3.5Å; D295-R298 PolarHBondContact O-N 3.37Å; D295-R298 VanDerWaalsContact O-N 3.1Å; D295-R298 IonicContact OD1-CZ 3.28Å; D295-R298 IonicContact OD1-NH1 2.71Å; D295-R298 PolarHBondContact OD1-NH1 2.93Å; D295-E299 PolarHBondContact O-N 3.04Å
296A91.4Very high88Confident27 Ų2767.9 Ų67.922%0.22332%0.32CS..Hα-helixtrans-59.2-39176.400000112.6V114 R292 T293 R298 E299 L300V114-A296 HydrophobicContact CG1-CB 3.8Å; R292-A296 VanDerWaalsContact O-CB 3.31Å; R292-A296 WeakPolarHBondContact O-CB 3.46Å; R292-A296 PolarHBondContact O-N 3.42Å; T293-A296 PolarHBondContact O-N 3.38Å; A296-R298 VanDerWaalsContact C-N 3.33Å; A296-R298 PolarHBondContact O-N 3.06Å; A296-E299 PolarHBondContact O-N 2.9Å; A296-L300 WeakPolarHBondContact O-CG 3.46Å; A296-L300 PolarHBondContact O-N 2.97Å
297V90.1Very high87Confident0 Ų071.3 Ų71.30%033%0.334CS..Hα-helixtrans-62.8-38.9176.5173.80000111.5V114 T293 K294 D295 E299 L300 Y305 M308 I311 L312V114-V297 HydrophobicContact CB-CG2 4.4Å; V114-V297 HydrophobicContact CG1-CG2 3.75Å; V114-V297 HydrophobicContact CG2-CG2 3.66Å; T293-V297 WeakPolarHBondContact O-CG2 3.36Å; T293-V297 PolarHBondContact O-N 2.9Å; K294-V297 PolarHBondContact O-N 3.23Å; D295-V297 VanDerWaalsContact C-N 3.3Å; D295-V297 PolarHBondContact O-N 3.5Å; V297-E299 PolarHBondContact O-N 3.1Å; V297-L300 HydrophobicContact CB-CD1 4.41Å; V297-L300 HydrophobicContact CG1-CD1 4.44Å; V297-L300 HydrophobicContact CG2-CD1 4.28Å; V297-L300 WeakPolarHBondContact O-CB 3.48Å; V297-L300 PolarHBondContact O-N 2.79Å; V297-Y305 HydrophobicContact CG1-CD2 4.17Å; V297-Y305 HydrophobicContact CG1-CE2 4.3Å; V297-Y305 WeakPolarHBondContact O-CD2 3.48Å; V297-M308 HydrophobicContact CG1-CB 4.15Å; V297-M308 HydrophobicContact CG2-CB 4.05Å; V297-I311 HydrophobicContact CG2-CB 4.2Å; V297-I311 HydrophobicContact CG2-CG1 4.28Å; V297-I311 HydrophobicContact CG2-CG2 4.26Å; V297-L312 HydrophobicContact CB-CD1 4.47Å; V297-L312 HydrophobicContact CG1-CD1 3.79Å; V297-L312 HydrophobicContact CG1-CG 4.04Å
298R88.6Confident86.4Confident101 Ų10168.2 Ų68.238%0.38132%0.318SS..Hα-helixtrans-64.3-28178.2-64.8-173.3-159.596.80112.8K294 D295 A296 L312 E315K294-R298 WeakPolarHBondContact O-CG 3.35Å; K294-R298 PolarHBondContact O-N 3.4Å; K294-R298 VanDerWaalsContact O-N 3.15Å; D295-R298 PolarHBondContact O-N 3.37Å; D295-R298 VanDerWaalsContact O-N 3.1Å; D295-R298 IonicContact OD1-CZ 3.28Å; D295-R298 IonicContact OD1-NH1 2.71Å; D295-R298 PolarHBondContact OD1-NH1 2.93Å; A296-R298 VanDerWaalsContact C-N 3.33Å; A296-R298 PolarHBondContact O-N 3.06Å; R298-L312 HydrophobicContact CG-CD1 3.9Å; R298-L312 HydrophobicContact CG-CD2 4.44Å; R298-E315 IonicContact CZ-OE2 3.17Å; R298-E315 IonicContact NE-OE2 3.89Å; R298-E315 IonicContact NH2-OE1 2.6Å; R298-E315 PolarHBondContact NH2-OE1 3.49Å; R298-E315 IonicContact NH2-OE2 3.08Å; R298-E315 PolarHBondContact NH2-OE2 3.36Å
299E87.8Confident85.9Confident167 Ų16769 Ų6978%0.7832%0.318SS*.THydrogen-bonded Turntrans-90.20.8179-58.2-61.4144.800113.6D295 A296 V297D295-E299 PolarHBondContact O-N 3.04Å; A296-E299 PolarHBondContact O-N 2.9Å; V297-E299 PolarHBondContact O-N 3.1Å
300L83.9Confident85.3Confident33 Ų3370.6 Ų70.617%0.17333%0.325CS..SBendtrans-72.1150.3-179.9-73.3175.6000112.5A296 V297 Q304 M308A296-L300 WeakPolarHBondContact O-CG 3.46Å; A296-L300 PolarHBondContact O-N 2.97Å; V297-L300 HydrophobicContact CB-CD1 4.41Å; V297-L300 HydrophobicContact CG1-CD1 4.44Å; V297-L300 HydrophobicContact CG2-CD1 4.28Å; V297-L300 WeakPolarHBondContact O-CB 3.48Å; V297-L300 PolarHBondContact O-N 2.79Å; L300-Q304 HydrophobicContact CB-CB 4.14Å; L300-Q304 HydrophobicContact CD1-CB 4.11Å; L300-Q304 HydrophobicContact CD2-CB 4.17Å; L300-Q304 HydrophobicContact CG-CB 4.36Å; L300-M308 HydrophobicContact CD1-CB 3.93Å; L300-M308 HydrophobicContact CD1-CG 4.14Å
301D81Confident84.9Confident80 Ų8070.5 Ų70.543%0.42832%0.324SS..  trans-58.7159.2169.572.644.3000112.3L303 Q304 Y305D301-L303 PolarHBondContact O-N 2.73Å; D301-L303 WeakPolarHBondContact OD1-CA 3.31Å; D301-L303 WeakPolarHBondContact OD1-CB 3.35Å; D301-L303 PolarHBondContact OD1-N 2.94Å; D301-Q304 PolarHBondContact O-N 3.33Å; D301-Q304 WeakPolarHBondContact OD1-CB 3.41Å; D301-Q304 WeakPolarHBondContact OD1-CG 3.39Å; D301-Q304 PolarHBondContact OD1-N 3.27Å; D301-Q304 PolarHBondContact OD2-NE2 3.26Å; D301-Y305 WeakPolarHBondContact O-CB 3.4Å; D301-Y305 PolarHBondContact O-N 3.17Å
302N76.8Confident84.6Confident136 Ų13667.2 Ų67.273%0.72731%0.309SS*.Hα-helixtrans-56.1-26.7-176.4-79.2-28.2000114.6R306N302-R306 VanDerWaalsContact O-CG 3.27Å; N302-R306 WeakPolarHBondContact O-CG 3.27Å; N302-R306 PolarHBondContact O-N 2.96Å
303L70.1Confident84.1Confident112 Ų11264.1 Ų64.159%0.58630%0.298SS*.Hα-helixtrans-80.8-45-178.5-174.468000111D301 L443D301-L303 PolarHBondContact O-N 2.73Å; D301-L303 WeakPolarHBondContact OD1-CA 3.31Å; D301-L303 WeakPolarHBondContact OD1-CB 3.35Å; D301-L303 PolarHBondContact OD1-N 2.94Å; L303-L443 HydrophobicContact CD1-CD1 4.47Å
304Q71.6Confident83.2Confident71 Ų7166.7 Ų66.733%0.33231%0.311SS..Hα-helixtrans-74.4-38.4179-64.5-176.848.500111.4L300 D301 R306 K307 M308L300-Q304 HydrophobicContact CB-CB 4.14Å; L300-Q304 HydrophobicContact CD1-CB 4.11Å; L300-Q304 HydrophobicContact CD2-CB 4.17Å; L300-Q304 HydrophobicContact CG-CB 4.36Å; D301-Q304 PolarHBondContact O-N 3.33Å; D301-Q304 WeakPolarHBondContact OD1-CB 3.41Å; D301-Q304 WeakPolarHBondContact OD1-CG 3.39Å; D301-Q304 PolarHBondContact OD1-N 3.27Å; D301-Q304 PolarHBondContact OD2-NE2 3.26Å; Q304-R306 VanDerWaalsContact C-N 3.3Å; Q304-R306 PolarHBondContact O-N 3.02Å; Q304-K307 PolarHBondContact O-N 3.33Å; Q304-K307 VanDerWaalsContact O-N 3.08Å; Q304-M308 PolarHBondContact O-N 3.48Å
305Y77.1Confident82Confident90 Ų9069.5 Ų69.535%0.35332%0.324SS..Hα-helixtrans-55.4-44.6172.4-177.4-102.5000111.3V297 D301 K307 M308 K309 L312V297-Y305 HydrophobicContact CG1-CD2 4.17Å; V297-Y305 HydrophobicContact CG1-CE2 4.3Å; V297-Y305 WeakPolarHBondContact O-CD2 3.48Å; D301-Y305 WeakPolarHBondContact O-CB 3.4Å; D301-Y305 PolarHBondContact O-N 3.17Å; Y305-K307 PolarHBondContact O-N 3.22Å; Y305-M308 PolarHBondContact O-N 3.47Å; Y305-K309 HydrophobicContact CE1-CB 4.34Å; Y305-K309 WeakPolarHBondContact O-CA 3.39Å; Y305-K309 VanDerWaalsContact O-CB 3.28Å; Y305-K309 WeakPolarHBondContact O-CB 3.5Å; Y305-K309 PolarHBondContact O-N 3.43Å; Y305-L312 HydrophobicContact CE2-CD1 3.87Å
306R74.1Confident80.2Confident181 Ų18172 Ų7268%0.68334%0.342SS*.Hα-helixtrans-60.8-30.9177.9-80.9177-178.1-171.71.2113.7N302 Q304N302-R306 VanDerWaalsContact O-CG 3.27Å; N302-R306 WeakPolarHBondContact O-CG 3.27Å; N302-R306 PolarHBondContact O-N 2.96Å; Q304-R306 VanDerWaalsContact C-N 3.3Å; Q304-R306 PolarHBondContact O-N 3.02Å
307K74.7Confident78.2Confident93 Ų9377.1 Ų77.140%0.40436%0.356SS..Hα-helixtrans-78.7-40.3175.4-169.4179.6-178.9-172.80111.6E113 Q304 Y305 S354E113-K307 WeakPolarHBondContact OE1-CD 3.44Å; E113-K307 WeakPolarHBondContact OE1-CE 3.38Å; E113-K307 IonicContact OE1-NZ 3.88Å; E113-K307 PolarHBondContact OE1-NZ 3Å; E113-K307 WeakPolarHBondContact OE2-CE 3.3Å; E113-K307 IonicContact OE2-NZ 2.74Å; E113-K307 PolarHBondContact OE2-NZ 2.99Å; Q304-K307 PolarHBondContact O-N 3.33Å; Q304-K307 VanDerWaalsContact O-N 3.08Å; Y305-K307 PolarHBondContact O-N 3.22Å; K307-S354 PolarHBondContact NZ-OG 3.34Å
308M84.5Confident75.7Confident4 Ų483.9 Ų83.92%0.0239%0.392CS..Hα-helixtrans-97.8-4.4-171.1-64.8-56.5177.200115.5E113 V114 V297 L300 Q304 Y305 K310 I311E113-M308 HydrophobicContact CB-CE 3.43Å; E113-M308 VanDerWaalsContact CB-CE 3.43Å; E113-M308 HydrophobicContact CG-CE 3.25Å; E113-M308 WeakPolarHBondContact OE2-CE 3.36Å; V114-M308 HydrophobicContact CG2-CB 4.18Å; V114-M308 HydrophobicContact CG2-CE 4.49Å; V114-M308 HydrophobicContact CG2-CG 3.84Å; V114-M308 HydrophobicContact CG2-SD 3.89Å; V297-M308 HydrophobicContact CG1-CB 4.15Å; V297-M308 HydrophobicContact CG2-CB 4.05Å; L300-M308 HydrophobicContact CD1-CB 3.93Å; L300-M308 HydrophobicContact CD1-CG 4.14Å; Q304-M308 PolarHBondContact O-N 3.48Å; Y305-M308 PolarHBondContact O-N 3.47Å; M308-K310 PolarHBondContact O-N 2.99Å; M308-I311 WeakPolarHBondContact O-CB 3.48Å; M308-I311 WeakPolarHBondContact O-CG1 3.46Å; M308-I311 PolarHBondContact O-N 3.41Å
309K86.1Confident73.1Confident94 Ų9481.2 Ų81.241%0.40940%0.395SS..G310 helixtrans-54.8-20.3177.964.9173.4-174.41710114.1Y305 I311 L312 F313Y305-K309 HydrophobicContact CE1-CB 4.34Å; Y305-K309 WeakPolarHBondContact O-CA 3.39Å; Y305-K309 VanDerWaalsContact O-CB 3.28Å; Y305-K309 WeakPolarHBondContact O-CB 3.5Å; Y305-K309 PolarHBondContact O-N 3.43Å; K309-I311 PolarHBondContact O-N 3.44Å; K309-I311 VanDerWaalsContact O-N 3.16Å; K309-L312 PolarHBondContact O-N 2.9Å; K309-F313 HydrophobicContact CB-CE1 4.29Å; K309-F313 HydrophobicContact CD-CE1 4.1Å; K309-F313 HydrophobicContact CD-CZ 4.47Å; K309-F313 HydrophobicContact CG-CE1 3.84Å; K309-F313 HydrophobicContact CG-CZ 4.17Å; K309-F313 VanDerWaalsContact O-CD1 3.23Å; K309-F313 WeakPolarHBondContact O-CD1 3.34Å; K309-F313 WeakPolarHBondContact O-CE1 3.39Å
310K85.1Confident70.3Confident34 Ų3479 Ų7915%0.14840%0.396CS..G310 helixtrans-54.8-28.1173.362.5173.1177.1169.30113.4I30 Y103 D110 M308 L312 F313I30-K310 HydrophobicContact CB-CB 4.39Å; I30-K310 HydrophobicContact CB-CD 4.39Å; I30-K310 HydrophobicContact CG2-CB 4Å; I30-K310 VanDerWaalsContact O-CD 3.25Å; I30-K310 WeakPolarHBondContact O-CD 3.48Å; I30-K310 PolarHBondContact O-NZ 2.9Å; Y103-K310 PolarHBondContact OH-O 3.49Å; Y103-K310 VanDerWaalsContact OH-O 3.04Å; D110-K310 VanDerWaalsContact OD1-CE 3.27Å; D110-K310 WeakPolarHBondContact OD1-CE 3.41Å; D110-K310 IonicContact OD1-NZ 2.88Å; D110-K310 PolarHBondContact OD1-NZ 3.2Å; D110-K310 IonicContact OD2-NZ 2.71Å; D110-K310 PolarHBondContact OD2-NZ 2.99Å; M308-K310 PolarHBondContact O-N 2.99Å; K310-L312 PolarHBondContact O-N 3.47Å; K310-F313 HydrophobicContact CB-CD2 4.4Å; K310-F313 HydrophobicContact CB-CE2 4.11Å; K310-F313 HydrophobicContact CB-CZ 4.38Å
311I88.2Confident67.9Low4 Ų486 Ų862%0.02143%0.432CS..G310 helixtrans-67-21176.6-60.3-63.9000112.2L105 D110 T293 K294 V297 M308 K309L105-I311 HydrophobicContact CD1-CG2 4.24Å; L105-I311 HydrophobicContact CD2-CD1 3.9Å; L105-I311 HydrophobicContact CD2-CG2 3.97Å; L105-I311 HydrophobicContact CG-CD1 4.32Å; L105-I311 HydrophobicContact CG-CG2 4.09Å; L105-I311 WeakPolarHBondContact O-CD1 3.42Å; D110-I311 HydrophobicContact CB-CD1 4.44Å; T293-I311 HydrophobicContact CG2-CG2 4.38Å; K294-I311 HydrophobicContact CG-CG2 4.07Å; V297-I311 HydrophobicContact CG2-CB 4.2Å; V297-I311 HydrophobicContact CG2-CG1 4.28Å; V297-I311 HydrophobicContact CG2-CG2 4.26Å; M308-I311 WeakPolarHBondContact O-CB 3.48Å; M308-I311 WeakPolarHBondContact O-CG1 3.46Å; M308-I311 PolarHBondContact O-N 3.41Å; K309-I311 PolarHBondContact O-N 3.44Å; K309-I311 VanDerWaalsContact O-N 3.16Å
312L88.6Confident65.3Low14 Ų1488.9 Ų88.97%0.07345%0.448CS..G310 helixtrans-106.72-173.9-59.2178.8000114.1K294 V297 R298 Y305 K309 K310 Q314 E315 T316K294-L312 HydrophobicContact CB-CD2 3.99Å; K294-L312 HydrophobicContact CG-CD2 4.15Å; V297-L312 HydrophobicContact CB-CD1 4.47Å; V297-L312 HydrophobicContact CG1-CD1 3.79Å; V297-L312 HydrophobicContact CG1-CG 4.04Å; R298-L312 HydrophobicContact CG-CD1 3.9Å; R298-L312 HydrophobicContact CG-CD2 4.44Å; Y305-L312 HydrophobicContact CE2-CD1 3.87Å; K309-L312 PolarHBondContact O-N 2.9Å; K310-L312 PolarHBondContact O-N 3.47Å; L312-Q314 VanDerWaalsContact C-N 3.33Å; L312-Q314 PolarHBondContact O-N 2.9Å; L312-E315 PolarHBondContact O-N 3.25Å; L312-E315 VanDerWaalsContact O-N 3.12Å; L312-T316 PolarHBondContact O-OG1 2.85Å
313F85.1Confident63.4Low30 Ų3091.9 Ų91.913%0.13246%0.457CS..THydrogen-bonded Turntrans-64.1-28.4-171.1-75.1-7.1000115.3H28 I30 F40 K309 K310 E315H28-F313 HydrophobicContact CB-CD2 4.21Å; H28-F313 HydrophobicContact CB-CE2 3.59Å; H28-F313 HydrophobicContact CB-CZ 4.1Å; I30-F313 HydrophobicContact CG2-CD2 3.89Å; I30-F313 HydrophobicContact CG2-CE2 3.72Å; F40-F313 HydrophobicContact CB-CD2 4.04Å; F40-F313 HydrophobicContact CD2-CB 4.02Å; F40-F313 HydrophobicContact CD2-CD2 4.31Å; F40-F313 HydrophobicContact CE2-CB 3.95Å; F40-F313 HydrophobicContact CG-CB 4.49Å; F40-F313 HydrophobicContact CG-CD2 4.12Å; F40-F313 HydrophobicContact CZ-CB 4.42Å; K309-F313 HydrophobicContact CB-CE1 4.29Å; K309-F313 HydrophobicContact CD-CE1 4.1Å; K309-F313 HydrophobicContact CD-CZ 4.47Å; K309-F313 HydrophobicContact CG-CE1 3.84Å; K309-F313 HydrophobicContact CG-CZ 4.17Å; K309-F313 VanDerWaalsContact O-CD1 3.23Å; K309-F313 WeakPolarHBondContact O-CD1 3.34Å; K309-F313 WeakPolarHBondContact O-CE1 3.39Å; K310-F313 HydrophobicContact CB-CD2 4.4Å; K310-F313 HydrophobicContact CB-CE2 4.11Å; K310-F313 HydrophobicContact CB-CZ 4.38Å; F313-E315 VanDerWaalsContact C-N 3.34Å
314Q75.6Confident61.3Low55 Ų5591 Ų9126%0.25746%0.461SS..THydrogen-bonded Turntrans-71.8-27175.9-80.9-179.4-25.500113.1F40 Y103 L312F40-Q314 HydrophobicContact CE2-CG 4.38Å; Y103-Q314 HydrophobicContact CD1-CG 4.12Å; Y103-Q314 VanDerWaalsContact CD1-NE2 3.33Å; Y103-Q314 HydrophobicContact CE1-CG 3.73Å; L312-Q314 VanDerWaalsContact C-N 3.33Å; L312-Q314 PolarHBondContact O-N 2.9Å
315E67.6Low59.5Low64 Ų6496.5 Ų96.530%0.29949%0.486SS..G310 helixtrans-82-25.8-174.5-66.6-178.7176.900112.9K294 R298 L312 F313 R317 N318K294-E315 VanDerWaalsContact CD-OE1 3.27Å; K294-E315 WeakPolarHBondContact CD-OE1 3.3Å; K294-E315 VanDerWaalsContact CE-OE1 3.3Å; K294-E315 WeakPolarHBondContact CE-OE1 3.44Å; K294-E315 IonicContact NZ-OE1 3.19Å; K294-E315 PolarHBondContact NZ-OE1 2.96Å; R298-E315 IonicContact CZ-OE2 3.17Å; R298-E315 IonicContact NE-OE2 3.89Å; R298-E315 IonicContact NH2-OE1 2.6Å; R298-E315 PolarHBondContact NH2-OE1 3.49Å; R298-E315 IonicContact NH2-OE2 3.08Å; R298-E315 PolarHBondContact NH2-OE2 3.36Å; L312-E315 PolarHBondContact O-N 3.25Å; L312-E315 VanDerWaalsContact O-N 3.12Å; F313-E315 VanDerWaalsContact C-N 3.34Å; E315-R317 PolarHBondContact O-N 2.9Å; E315-N318 PolarHBondContact O-N 3.29Å
316T57Low57.2Low123 Ų123100.7 Ų100.776%0.75551%0.509SS*.G310 helixtrans-61.2-11.7179.8-32.70000113.1L312L312-T316 PolarHBondContact O-OG1 2.85Å
317R48.1Very low55.2Low134 Ų13498.7 Ų98.751%0.50651%0.512SS..G310 helixtrans-102.8-19.7177.2-164.4179.5177.1-172.32.1114.4N47 E315N47-R317 PolarHBondContact O-NH1 2.71Å; N47-R317 PolarHBondContact OD1-NH2 3.18Å; E315-R317 PolarHBondContact O-N 2.9Å
318N38.4Very low53.1Low142 Ų142104 Ų10476%0.75954%0.538SS*.THydrogen-bonded Turntrans-94.12.9-174-73.4-11000114.1E315E315-N318 PolarHBondContact O-N 3.29Å
319G33Very low50.6Low44 Ų44112.3 Ų112.345%0.45458%0.577SS.*SBendtrans-74.7153168.400000111.6L321G319-L321 PolarHBondContact O-N 3.47Å
320P29.6Very low48Very low122 Ų122116.1 Ų116.179%0.79260%0.602SS**  trans-56.2134.9171.4-11.825.1000108.6N322P320-N322 PolarHBondContact O-N 3.34Å
321L32.8Very low45.2Very low178 Ų178119.7 Ų119.793%0.93263%0.631SS**  trans-59.584.4166.3-78.9153.6000108.5G319G319-L321 PolarHBondContact O-N 3.47Å
322N27Very low42.5Very low142 Ų142128 Ų12876%0.75967%0.67SS**  trans-91110.9157.5-945000106.7P320 S324P320-N322 PolarHBondContact O-N 3.34Å; N322-S324 PolarHBondContact O-N 3.46Å
323E37.1Very low39.6Very low198 Ų198136 Ų13693%0.92571%0.707SS**  trans-54.4105.2162.3-68.9179.1154.100109.2
324S26.7Very low36.8Very low95 Ų95137.9 Ų137.966%0.66473%0.734SS**  trans-153.779.8151.444.30000106.8N322 E326N322-S324 PolarHBondContact O-N 3.46Å; S324-E326 PolarHBondContact O-N 3.47Å
325Q33Very low34.4Very low186 Ų186142.1 Ų142.187%0.86976%0.764SS**  trans-60.2106.8148.9-79.5176.2-47.200106.3
326E28.9Very low32.3Very low178 Ų178144 Ų14483%0.83278%0.784SS**  trans-108.5108.7154.2-76.3-174175.200106.6S324 E328S324-E326 PolarHBondContact O-N 3.47Å; E326-E328 PolarHBondContact O-N 3.08Å
327D31.8Very low30.8Very low139 Ų139145.1 Ų145.174%0.74379%0.785SS**  trans-56.9115.1167-66-57000109E329D327-E329 VanDerWaalsContact C-N 3.32Å; D327-E329 PolarHBondContact O-N 3.01Å; D327-E329 VanDerWaalsContact O-N 3.09Å
328E31.2Very low29.6Very low203 Ų203145.5 Ų145.595%0.94980%0.797SS**  trans-78.289.1163.7-80.8-169.1166.500108.3E326E326-E328 PolarHBondContact O-N 3.08Å
329E31.3Very low28.9Very low179 Ų179148.3 Ų148.384%0.83680%0.797SS**  trans-68.8132.1163.7-76.2-170.7151.900110.8D327 S331D327-E329 VanDerWaalsContact C-N 3.32Å; D327-E329 PolarHBondContact O-N 3.01Å; D327-E329 VanDerWaalsContact O-N 3.09Å; E329-S331 PolarHBondContact O-N 3.25Å
330D32.4Very low28.5Very low174 Ų174153 Ų15393%0.9381%0.807SS**  trans-53.8120.1165.4-80-47000111.2
331S26.3Very low28.3Very low110 Ų110152.8 Ų152.877%0.76980%0.797SS**  trans-141.992.7163.5-178.70000110.2E329E329-S331 PolarHBondContact O-N 3.25Å
332E31Very low27.8Very low178 Ų178150.7 Ų150.783%0.83279%0.786SS**  trans-63.1125.2147.5-75-173.3152.500107.7
333H27.5Very low27.8Very low183 Ų183148.2 Ų148.285%0.84778%0.781SS**  -174.9120.4126.6-97.864.8000108.3
334G26.8Very low27.3Very low68 Ų68146.9 Ų146.970%0.70178%0.779SS**  trans-78.4165.1-168.500000115.7
335T24.6Very low27.2Very low144 Ų144149.9 Ų149.988%0.88379%0.787SS**  -176.6120.9125.819.90000110.6
336S23.1Very low26.9Very low104 Ų104146 Ų14673%0.72778%0.78SS**  trans30.2120.6141.7-147.90000119.9
337L25.5Very low26.9Very low147 Ų147144.9 Ų144.977%0.7778%0.78SS**  170.8124.5105.8-85.8168.9000112.2
338N23.3Very low26.8Very low142 Ų142147 Ų14776%0.75979%0.786SS**  trans19.3138.4141.6-62.7-25.6000118.8
339R24.2Very low26.6Very low200 Ų200143.4 Ų143.476%0.75578%0.783SS**  cis175.7147.749.5-146178.8174.1151.1-0.8112
340E23.8Very low26.4Very low143 Ų143142 Ų14267%0.66878%0.779SS**  trans66.2141.5146.1-85.8160.8-158.100120.2
341M26.8Very low26Very low117 Ų117138.2 Ų138.258%0.57676%0.764SS**  cis-170.8166.4-8.6-145162.898.400109
342D22.4Very low26Very low134 Ų134135.2 Ų135.272%0.71774%0.743SS**  trans77.9136155.2-67.7-17.9000119.2
343S25.9Very low25.8Very low91 Ų91130.5 Ų130.564%0.63672%0.722SS**  cis-169.2151.2-1.6780000111.3
344L27.7Very low25.8Very low170 Ų170124.4 Ų124.489%0.8970%0.7SS**  trans68104146.4-60.1167.6000119.6
345D23.8Very low25.9Very low158 Ų158124.2 Ų124.285%0.84569%0.685SS**  trans-129.3137.6155.6-159.48.6000111.4
346S27.1Very low26.1Very low103 Ų103120.2 Ų120.272%0.7266%0.663SS**  trans-94.9122.7-175.946.30000110.1H348S346-H348 PolarHBondContact O-N 2.99Å
347N28.2Very low26.5Very low155 Ų155116.5 Ų116.583%0.82964%0.636SS**  trans-70.5115.9178.9-68.5-48.3000112.1
348H30.3Very low26.6Very low185 Ų185110 Ų11086%0.85661%0.605SS**  trans-170.5109.3138.1-105.3-64000109.5S346S346-H348 PolarHBondContact O-N 2.99Å
349S26.3Very low26.9Very low127 Ų127104.4 Ų104.489%0.88858%0.577SS**  trans-163117.6160.3-84.10000112.4
350I27Very low27.1Very low149 Ų14995.6 Ų95.676%0.76454%0.544SS*.PPolyproline II helixtrans-71.5142.1167.1-63.5176.6000108.6
351P24.3Very low27.3Very low94 Ų9489.6 Ų89.661%0.6152%0.518SS*.PPolyproline II helixtrans-70.3135.8-170.2-10.326000112.2
352S25.3Very low27.3Very low48 Ų4886 Ų8634%0.33650%0.504SS..PPolyproline II helixtrans-91.3121.8176.8-59.30000110.4
353M27.6Very low27.5Very low79 Ų7982.4 Ų82.439%0.38949%0.49SS..PPolyproline II helixtrans-94.6122.8172.6-58.2-155.97500109.4E450 Q453M353-E450 HydrophobicContact CE-CB 4.49Å; M353-E450 HydrophobicContact CE-CG 3.66Å; M353-Q453 VanDerWaalsContact CE-OE1 3.24Å
354S26.6Very low27.4Very low54 Ų5485.1 Ų85.138%0.37850%0.502SS..  trans-90.3115.6172.1490000108.5K307K307-S354 PolarHBondContact NZ-OG 3.34Å
355V30.7Very low27.4Very low65 Ų6584.5 Ų84.539%0.39450%0.5SS..  trans-103.9115.8-179.2-72.80000110F222 T357F222-V355 HydrophobicContact CE2-CG2 3.96Å; F222-V355 HydrophobicContact CZ-CG2 4.29Å; V355-T357 HydrophobicContact CB-CG2 4.25Å
356S26.8Very low27.4Very low59 Ų5982.6 Ų82.641%0.41350%0.499SS..  trans-103.970.3179-64.20000109.8H32 G358 E454H32-S356 VanDerWaalsContact O-CB 3.31Å; H32-S356 WeakPolarHBondContact O-CB 3.35Å; S356-G358 PolarHBondContact O-N 3.2Å; S356-E454 PolarHBondContact N-OE1 3.33Å
357T32.5Very low27.3Very low26 Ų2685.6 Ų85.616%0.1650%0.503CS..  trans-78.291.4-169.848.90000112.7K149 T181 V355 E454K149-T357 PolarHBondContact NZ-O 3.45Å; K149-T357 PolarHBondContact NZ-OG1 2.9Å; T181-T357 HydrophobicContact CG2-CG2 4.31Å; T181-T357 VanDerWaalsContact CG2-OG1 3.26Å; T181-T357 WeakPolarHBondContact CG2-OG1 3.4Å; T181-T357 PolarHBondContact OG1-OG1 3.37Å; V355-T357 HydrophobicContact CB-CG2 4.25Å; T357-E454 WeakPolarHBondContact CA-OE1 3.44Å; T357-E454 PolarHBondContact N-OE1 3.46Å
358G27.3Very low27.2Very low12 Ų1286.5 Ų86.512%0.12450%0.503CS..  trans-80123.7167.500000111.5S34 S356S34-G358 WeakPolarHBondContact CB-O 3.34Å; S34-G358 PolarHBondContact OG-O 3.38Å; S356-G358 PolarHBondContact O-N 3.2Å
359S30.2Very low26.9Very low24 Ų2486.8 Ų86.817%0.16850%0.504CS..  trans-102133.1-179.5-64.50000112.4S168S168-S359 WeakPolarHBondContact OG-CB 3.28Å
360Q27.9Very low26.9Very low14 Ų1487.3 Ų87.37%0.06550%0.502CS..  trans-107.8141.7156.3-61.5-74.7-117.100108F35 D68F35-Q360 HydrophobicContact CD1-CG 4.15Å; F35-Q360 HydrophobicContact CE1-CB 4.37Å; F35-Q360 HydrophobicContact CE1-CG 3.02Å; F35-Q360 VanDerWaalsContact CE1-OE1 3.27Å; F35-Q360 HydrophobicContact CZ-CB 4.24Å; F35-Q360 HydrophobicContact CZ-CG 3.23Å; D68-Q360 WeakPolarHBondContact OD2-CB 3.28Å; D68-Q360 VanDerWaalsContact OD2-CG 3.28Å; D68-Q360 WeakPolarHBondContact OD2-CG 3.49Å; D68-Q360 PolarHBondContact OD2-NE2 3.09Å; D68-Q360 PolarHBondContact OD2-OE1 3.44Å
361S28.7Very low27Very low17 Ų1789 Ų8912%0.11951%0.509CS..  trans-167.4117.5132.848.30000111.1K465S361-K465 PolarHBondContact OG-NZ 3.33Å
362S26Very low26.9Very low41 Ų4192.3 Ų92.329%0.28752%0.522SS..  trans2.6120.8145.537.20000118.5R469S362-R469 PolarHBondContact O-NH2 3.31Å; S362-R469 PolarHBondContact OG-NH1 3.1Å; S362-R469 PolarHBondContact OG-NH2 3.14Å
363S26.2Very low26.8Very low59 Ų5999 Ų9941%0.41355%0.547SS..  trans-112135.7170.6-52.90000109.4
364V24.5Very low26.7Very low149 Ų149101 Ų10190%0.90357%0.569SS**PPolyproline II helixtrans-97.7125.3167.2-780000107.9
365N27.3Very low26.5Very low156 Ų156103.3 Ų103.383%0.83459%0.586SS**PPolyproline II helixtrans-90131.6173.9-92.7-3.9000110.3
366S24.6Very low26.2Very low118 Ų118105.2 Ų105.283%0.82560%0.602SS**PPolyproline II helixtrans-76.3121.5161.3-173.60000108.3
367M26Very low26Very low166 Ų166110.7 Ų110.782%0.81862%0.621SS**  trans-104.2130.3163.6-75.7-112.372.300108.4
368Q24.4Very low25.7Very low175 Ų175117.3 Ų117.382%0.81866%0.655SS**PPolyproline II helixtrans-70.2117.3166.6-159.9108.5-1.700107.8
369E25.9Very low25.7Very low190 Ų190122.2 Ų122.289%0.88868%0.682SS**PPolyproline II helixtrans-91.2125.9170-83.6-172.6171.100110.6
370V25.4Very low25.5Very low139 Ų139128.3 Ų128.384%0.84271%0.709SS**PPolyproline II helixtrans-91.4139.3168.5-149.80000106.8
371M28.1Very low25.6Very low184 Ų184137 Ų13791%0.90675%0.752SS**PPolyproline II helixtrans-55135.3-178.7-60.9166.182.300112.4
372D23Very low25.5Very low164 Ų164143.3 Ų143.388%0.87778%0.78SS**  trans-154.5135.1138.1-133.2-9.1000112.2
373E23.6Very low25.5Very low187 Ų187148.6 Ų148.687%0.87481%0.805SS**  trans-74.3140.8177.5-75.2-177.4129.200111.4
374S24.4Very low25.4Very low122 Ų122152.7 Ų152.785%0.85382%0.822SS**  178.7131.8121.9-168.90000113
375S22.8Very low25.4Very low103 Ų103153.7 Ų153.772%0.7282%0.817SS**  trans-25.8138.9168.3-169.60000120.8
376S24.8Very low25.4Very low105 Ų105151.6 Ų151.673%0.73482%0.815SS**  156.4109106.2-90.50000114.8
377E23.1Very low25.6Very low174 Ų174150.9 Ų150.981%0.81381%0.805SS**  33.3122.7126.4-153.6171.1-151.600123
378L26.9Very low25.7Very low165 Ų165149.5 Ų149.586%0.86480%0.8SS**  trans176.5102.2138.7-98.8143.6000110
379V26.3Very low25.7Very low114 Ų114148 Ų14869%0.69180%0.797SS**  76.111093.6176.70000116.2
380M26Very low25.8Very low153 Ų153143.3 Ų143.375%0.75479%0.785SS**  trans44.9128.1137.5-52.1-76.4-138.600120.8
381M29.9Very low25.7Very low196 Ų196141.9 Ų141.997%0.96678%0.782SS**  -155.5133.6114-77.9-144.2-154.100111.5
382H26Very low25.4Very low150 Ų150138.4 Ų138.469%0.69478%0.775SS**  trans-74.1155.8170.5-93.5-100.5000112.1
383D26.6Very low25.6Very low152 Ų152135.3 Ų135.381%0.81377%0.767SS**  167.2153.7125-84.7-7.9000108.1
384D24.9Very low25.7Very low144 Ų144132.1 Ų132.177%0.7776%0.76SS**  cis-162159.4-43.3-142.14.8000104.1
385E24.4Very low25.7Very low170 Ų170132 Ų13279%0.79475%0.754SS**  trans-91.4149.5-163.7-173.7179.6-170.500113.1
386S26.9Very low26Very low113 Ų113135.8 Ų135.879%0.7976%0.759SS**  trans157.5153.6136.1530000113.7
387T27.8Very low26.1Very low103 Ų103139.8 Ų139.863%0.63276%0.764SS**  cis179.6120.6-17.5-810000106.2
388I27.8Very low26.3Very low136 Ų136141.3 Ų141.370%0.69777%0.768SS**  trans71.8129.4137-60.4176.7000123.7
389N24.8Very low26.3Very low144 Ų144139.6 Ų139.677%0.7776%0.759SS**  trans63.2154.7147.2-74.7-15000121.8
390S27.5Very low26.5Very low91 Ų91142.4 Ų142.464%0.63677%0.765SS**  cis179.8155.8-22.3-95.80000106.9
391S23.6Very low26.5Very low110 Ų110140.6 Ų140.677%0.76976%0.762SS**  trans78.3114156.2-47.80000118.7
392S23.3Very low26.3Very low110 Ų110140.3 Ų140.377%0.76976%0.756SS**  66.3133.396.51160000113
393S25.4Very low26.5Very low100 Ų100140.6 Ų140.670%0.69976%0.761SS**  cis179.1169.828.750.10000110.2
394V26.6Very low26.5Very low119 Ų119142.8 Ų142.872%0.72176%0.758SS**  trans83.9105.7147.9-177.70000120.5
395V25.2Very low26.6Very low120 Ų120142 Ų14273%0.72775%0.754SS**  43.1128124.2-173.50000118.8
396H28.4Very low27Very low182 Ų182141.9 Ų141.984%0.84375%0.753SS**  -165.4125.1120.2-101.457.7000111.8
397K27.5Very low27.3Very low189 Ų189140.7 Ų140.782%0.82275%0.75SS**  trans-81.5147.3164.7-79.1176.8169.6179.70109.7
398K26.8Very low27.4Very low206 Ų206139.2 Ų139.290%0.89676%0.755SS**  -174.2143.6122.6-107.8175.7179.7178.90113.4
399D26.8Very low27.6Very low129 Ų129142.5 Ų142.569%0.6977%0.767SS**  trans-80.7173.9-177.1-58.9-67.6000115.2
400H29.3Very low27.8Very low174 Ų174139.5 Ų139.581%0.80677%0.77SS**  trans79.8147.5149.6-68.7-58.2000118.2
401V26.1Very low27.8Very low115 Ų115142 Ų14270%0.69778%0.776SS**  cis-170.9156.9-14.2129.80000106.5
402F26.5Very low28.8Very low190 Ų190142.8 Ų142.883%0.83378%0.778SS**  trans-23.8168.6171.1-82.2-97.4000124
403I29.4Very low29.1Very low156 Ų156146.6 Ų146.680%0.878%0.776SS**  trans106.5136.3148.8-56.9-168.6000112.8
404R28.1Very low29.9Very low198 Ų198147.9 Ų147.975%0.74778%0.782SS**  cis176.3171.1-8.3-177.1-168.5178.7-178.3-3.1106.1
405D27.3Very low29.9Very low128 Ų128148.3 Ų148.368%0.68478%0.776SS**  trans125.2107.4149.7-68.3-8.6000114
406E31.8Very low30.2Very low166 Ų166148 Ų14878%0.77678%0.776SS**  87.2140.281.3-81.4-13316900112
407A32.7Very low30.1Very low89 Ų89150.2 Ų150.274%0.73678%0.778SS**  cis-169166.614.800000112.9
408G29.7Very low30.5Very low71 Ų71146.6 Ų146.673%0.73277%0.773SS**  trans93.8138143.900000118.5
409H33.8Very low30.4Very low206 Ų206143.4 Ų143.495%0.95477%0.771SS**  cis-172.5154.34.2-113.9-19.1000109.6
410G27.8Very low30.4Very low80 Ų80146.4 Ų146.483%0.82578%0.781SS**  trans131.198.6149.400000118.1
411D27.7Very low30.2Very low145 Ų145143.6 Ų143.678%0.77578%0.781SS**  trans-107.1154.9159.4-160.517.3000107R413D411-R413 PolarHBondContact OD1-N 3.05Å
412P44.4Very low30.3Very low125 Ų125144.9 Ų144.981%0.81279%0.789SS**  -147.3148.671.432.2-9.2000116.6
413R29.2Very low30.4Very low190 Ų190144.6 Ų144.672%0.71779%0.79SS**  trans-82.7162162.2-131.9-175.3173.2-167.8-6.7111.2D411 E415D411-R413 PolarHBondContact OD1-N 3.05Å; R413-E415 IonicContact NH2-OE1 2.98Å
414P42.4Very low30.3Very low127 Ų127142.9 Ų142.983%0.82579%0.792SS**  -148.8174.569.932.4-8000117.6
415E26.9Very low30.5Very low128 Ų128142.9 Ų142.960%0.59880%0.8SS**  trans-44.6175.1179.3-67.3-162.9156.300119.1R413R413-E415 IonicContact NH2-OE1 2.98Å
416P32.6Very low30.7Very low114 Ų114141.3 Ų141.374%0.7481%0.805SS**  cis-149.2155.626.440-16.5000121.6
417R26.1Very low30.6Very low229 Ų229141.2 Ų141.286%0.86481%0.809SS**  trans40.2158.2139.3-79.4-163.7-160.2-156.95.7125.5
418P36.1Very low30.5Very low112 Ų112146 Ų14673%0.72782%0.816SS**  -122.1169.8-129.543.7-33.2000116.4
419T24Very low30.5Very low140 Ų140154 Ų15486%0.85983%0.826SS**  trans-145125.1154.936.80000114
420Q26.1Very low30.4Very low191 Ų191155.4 Ų155.489%0.89382%0.823SS**  trans13.2129.7153-62.7175-5.200122.5
421S26.1Very low30.5Very low116 Ų116159.2 Ų159.281%0.81182%0.824SS**  -162124.6116.151.80000113.4
422V27.6Very low30.6Very low141 Ų141163.7 Ų163.786%0.85583%0.83SS**  trans20.8113.6146.4-166.80000120.4
423Q27.6Very low30Very low185 Ų185167 Ų16786%0.86483%0.834SS**  -173.8146.6124.4-104175.57.900112.7
424S28.1Very low30.2Very low119 Ų119169.1 Ų169.183%0.83284%0.842SS**  trans9380.4166.1-53.30000118.9
425Q32.3Very low29.5Very low199 Ų199172.1 Ų172.193%0.9384%0.843SS**  trans-77.6120.3148.1-83.7172.4-26.200109.2
426A30.7Very low29.8Very low95 Ų95170.1 Ų170.179%0.78585%0.848SS**  trans156.856.2144.800000112.6
427L30.4Very low30Very low164 Ų164170.9 Ų170.986%0.85985%0.851SS**  trans-147.380.4163.4-84173.3000109.6
428H30.6Very low30.4Very low189 Ų189167.4 Ų167.488%0.87585%0.848SS**  trans-154.734.3164.3-96.3-52000115.3
429Y30.1Very low30.6Very low240 Ų240167.3 Ų167.394%0.94184%0.836SS**SBendtrans-131.149.9166.8-88.2-79.2000112.8
430R31.9Very low31.3Very low235 Ų235163.7 Ų163.789%0.88782%0.817SS**SBendtrans-155.470.7172.4-130.1-176.3-172.5-1762.4111.6
431N30.1Very low31.7Very low160 Ų160158.3 Ų158.386%0.85680%0.804SS**  trans-179.359.3156.6-97.8-18.9000112.1
432R29.8Very low32.3Very low239 Ų239157.1 Ų157.190%0.90280%0.796SS**SBendtrans-147.870.2165.9-160179.3-173.8-163.10.3110
433E31.3Very low32.8Very low193 Ų193153 Ų15390%0.90277%0.769SS**  trans-171.841.8163.4-107.7169-137.300111.9
434R33.2Very low33.3Very low235 Ų235147 Ų14789%0.88775%0.745SS**  trans-114.462.2162.7-73.6-170.3-174-135.11.6109.5
435F27.8Very low34Very low191 Ų191145.8 Ų145.884%0.83873%0.733SS**  trans-106.378.6157.3-88.1-85.6000107.4T437F435-T437 PolarHBondContact O-N 2.8Å
436A33.6Very low34.5Very low86 Ų86142.7 Ų142.771%0.71171%0.712SS**  trans-68.5118.6154.700000106.1I438A436-I438 PolarHBondContact O-N 2.89Å
437T36.1Very low35.1Very low129 Ų129142.4 Ų142.479%0.79170%0.695SS**  trans-40112175.1-37.40000110.4F435 K439F435-T437 PolarHBondContact O-N 2.8Å; T437-K439 PolarHBondContact O-N 3.34Å
438I35.7Very low35.8Very low157 Ų157138.4 Ų138.481%0.80567%0.674SS**  trans-66101.1178.6-63.1174.8000107.1A436A436-I438 PolarHBondContact O-N 2.89Å
439K38.8Very low36.5Very low110 Ų110132.3 Ų132.348%0.47865%0.646SS.*  trans-72.6142.8171-68.7177.6176.4179.80108.7T437 L443 V444T437-K439 PolarHBondContact O-N 3.34Å; K439-L443 HydrophobicContact CB-CD2 4.45Å; K439-L443 HydrophobicContact CD-CD2 4.31Å; K439-L443 HydrophobicContact CG-CD2 4.46Å; K439-V444 HydrophobicContact CB-CG2 3.77Å
440S38.9Very low37.2Very low64 Ų64124 Ų12445%0.44862%0.615SS.*  trans-58.1137.9175.4390000111.3S442 L443 V444S440-S442 PolarHBondContact O-N 3.02Å; S440-S442 VanDerWaalsContact O-N 3.08Å; S440-L443 WeakPolarHBondContact O-CB 3.22Å; S440-L443 PolarHBondContact O-N 3.4Å; S440-V444 PolarHBondContact O-N 3.43Å
441A35.6Very low37.7Very low77 Ų77117.5 Ų117.564%0.63660%0.595SS**Hα-helixtrans-53.7-34.3-17500000113.2L443 V444 T445A441-L443 VanDerWaalsContact C-N 3.33Å; A441-L443 PolarHBondContact O-N 3.34Å; A441-V444 PolarHBondContact O-N 3.19Å; A441-T445 PolarHBondContact O-N 3.04Å; A441-T445 PolarHBondContact O-OG1 3.41Å
442S37.8Very low38.5Very low92 Ų92113.8 Ų113.864%0.64357%0.572SS**Hα-helixtrans-66.3-31.2177.166.50000113.8S440 R446S440-S442 PolarHBondContact O-N 3.02Å; S440-S442 VanDerWaalsContact O-N 3.08Å; S442-R446 WeakPolarHBondContact O-CB 3.38Å; S442-R446 PolarHBondContact O-N 3.49Å; S442-R446 VanDerWaalsContact O-N 3.11Å
443L39.1Very low39.3Very low53 Ų53104.6 Ų104.628%0.27754%0.54SS..Hα-helixtrans-77.5-39.8179.3-161.883.4000110.8L303 K439 S440 A441 R446 Q447L303-L443 HydrophobicContact CD1-CD1 4.47Å; K439-L443 HydrophobicContact CB-CD2 4.45Å; K439-L443 HydrophobicContact CD-CD2 4.31Å; K439-L443 HydrophobicContact CG-CD2 4.46Å; S440-L443 WeakPolarHBondContact O-CB 3.22Å; S440-L443 PolarHBondContact O-N 3.4Å; A441-L443 VanDerWaalsContact C-N 3.33Å; A441-L443 PolarHBondContact O-N 3.34Å; L443-R446 PolarHBondContact O-N 3.49Å; L443-Q447 WeakPolarHBondContact O-CB 3.46Å; L443-Q447 WeakPolarHBondContact O-CG 3.06Å; L443-Q447 PolarHBondContact O-N 3.12Å
444V38.3Very low40Very low59 Ų5997.5 Ų97.536%0.35851%0.506SS..Hα-helixtrans-62.3-46.5174.2177.50000109.7K439 S440 A441 R446 Q447 I448K439-V444 HydrophobicContact CB-CG2 3.77Å; S440-V444 PolarHBondContact O-N 3.43Å; A441-V444 PolarHBondContact O-N 3.19Å; V444-R446 VanDerWaalsContact C-N 3.34Å; V444-R446 PolarHBondContact O-N 2.73Å; V444-Q447 PolarHBondContact O-N 3.29Å; V444-I448 HydrophobicContact CG1-CD1 3.59Å; V444-I448 HydrophobicContact CG1-CG1 4.38Å; V444-I448 VanDerWaalsContact O-CB 3.29Å; V444-I448 WeakPolarHBondContact O-CB 3.36Å; V444-I448 VanDerWaalsContact O-CD1 3.32Å; V444-I448 WeakPolarHBondContact O-CD1 3.49Å; V444-I448 WeakPolarHBondContact O-CG1 3.48Å; V444-I448 PolarHBondContact O-N 2.96Å
445T41.3Very low40.7Very low94 Ų9488.9 Ų88.958%0.57748%0.478SS*.Hα-helixtrans-63.9-36.5177.3-45.10000112.9A441 H449A441-T445 PolarHBondContact O-N 3.04Å; A441-T445 PolarHBondContact O-OG1 3.41Å; T445-H449 WeakPolarHBondContact O-CB 3.45Å; T445-H449 PolarHBondContact O-N 3.41Å
446R44.3Very low41.9Very low134 Ų13483.6 Ų83.651%0.50646%0.456SS..Hα-helixtrans-72.1-44.5178.2-174.1177.3-179.2162.94.4112.8S442 L443 V444 I448 H449 E450S442-R446 WeakPolarHBondContact O-CB 3.38Å; S442-R446 PolarHBondContact O-N 3.49Å; S442-R446 VanDerWaalsContact O-N 3.11Å; L443-R446 PolarHBondContact O-N 3.49Å; V444-R446 VanDerWaalsContact C-N 3.34Å; V444-R446 PolarHBondContact O-N 2.73Å; R446-I448 VanDerWaalsContact C-N 3.3Å; R446-I448 PolarHBondContact O-N 3.1Å; R446-H449 PolarHBondContact O-N 2.94Å; R446-H449 VanDerWaalsContact O-N 3.14Å; R446-E450 IonicContact NE-OE1 2.83Å; R446-E450 PolarHBondContact NE-OE1 2.78Å; R446-E450 WeakPolarHBondContact O-CG 3.32Å; R446-E450 PolarHBondContact O-N 2.99Å
447Q41.9Very low42.8Very low89 Ų8982.4 Ų82.442%0.41644%0.437SS..Hα-helixtrans-64.7-36.2175.1-73.6-173.4-32.600111.5L443 V444 H449 H451L443-Q447 WeakPolarHBondContact O-CB 3.46Å; L443-Q447 WeakPolarHBondContact O-CG 3.06Å; L443-Q447 PolarHBondContact O-N 3.12Å; V444-Q447 PolarHBondContact O-N 3.29Å; Q447-H449 VanDerWaalsContact C-N 3.35Å; Q447-H451 WeakPolarHBondContact O-CB 3.06Å; Q447-H451 PolarHBondContact O-N 3.45Å
448I45.9Very low43.6Very low81 Ų8179.6 Ų79.642%0.41541%0.412SS..Hα-helixtrans-62-42.9171.2-71.6166.2000110.6V444 R446 H451 E452V444-I448 HydrophobicContact CG1-CD1 3.59Å; V444-I448 HydrophobicContact CG1-CG1 4.38Å; V444-I448 VanDerWaalsContact O-CB 3.29Å; V444-I448 WeakPolarHBondContact O-CB 3.36Å; V444-I448 VanDerWaalsContact O-CD1 3.32Å; V444-I448 WeakPolarHBondContact O-CD1 3.49Å; V444-I448 WeakPolarHBondContact O-CG1 3.48Å; V444-I448 PolarHBondContact O-N 2.96Å; R446-I448 VanDerWaalsContact C-N 3.3Å; R446-I448 PolarHBondContact O-N 3.1Å; I448-H451 PolarHBondContact O-N 3.44Å; I448-E452 HydrophobicContact CG2-CG 4.25Å; I448-E452 WeakPolarHBondContact O-CB 3.44Å; I448-E452 VanDerWaalsContact O-CG 3.28Å; I448-E452 WeakPolarHBondContact O-CG 3.43Å; I448-E452 PolarHBondContact O-N 2.81Å
449H45.2Very low44.7Very low61 Ų6179 Ų7928%0.28241%0.406SS..Hα-helixtrans-68.3-38.3-179.1-14649.9000113.5T445 R446 Q447 E452 Q453 R699T445-H449 WeakPolarHBondContact O-CB 3.45Å; T445-H449 PolarHBondContact O-N 3.41Å; R446-H449 PolarHBondContact O-N 2.94Å; R446-H449 VanDerWaalsContact O-N 3.14Å; Q447-H449 VanDerWaalsContact C-N 3.35Å; H449-E452 IonicContact CE1-OE2 2.94Å; H449-E452 IonicContact ND1-OE2 3.72Å; H449-E452 PolarHBondContact ND1-OE2 3.05Å; H449-E452 PolarHBondContact O-N 3.21Å; H449-Q453 PolarHBondContact O-N 3.28Å; H449-Q453 VanDerWaalsContact O-N 3.1Å; H449-R699 PolarHBondContact CE1-NH1 3.28Å; H449-R699 VanDerWaalsContact CE1-NH1 3.25Å; H449-R699 PolarHBondContact NE2-NH1 3.32Å
450E44.1Very low45.7Very low64 Ų6476.8 Ų76.830%0.29940%0.397SS..Hα-helixtrans-65.3-41.6173.8-71.5170.7-17400110.8M353 R446 E454M353-E450 HydrophobicContact CE-CB 4.49Å; M353-E450 HydrophobicContact CE-CG 3.66Å; R446-E450 IonicContact NE-OE1 2.83Å; R446-E450 PolarHBondContact NE-OE1 2.78Å; R446-E450 WeakPolarHBondContact O-CG 3.32Å; R446-E450 PolarHBondContact O-N 2.99Å; E450-E454 PolarHBondContact O-N 3.37Å
451H44.1Very low46.7Very low100 Ų10075 Ų7546%0.46338%0.382SS..Hα-helixtrans-70.2-32.2175.2179.3-96.8000113.6Q447 I448 N455Q447-H451 WeakPolarHBondContact O-CB 3.06Å; Q447-H451 PolarHBondContact O-N 3.45Å; I448-H451 PolarHBondContact O-N 3.44Å; H451-N455 PolarHBondContact CD2-ND2 3.47Å; H451-N455 PolarHBondContact CE1-ND2 3.43Å; H451-N455 PolarHBondContact ND1-ND2 2.92Å; H451-N455 VanDerWaalsContact ND1-ND2 3.13Å; H451-N455 PolarHBondContact NE2-ND2 3.32Å; H451-N455 VanDerWaalsContact O-CB 3.32Å; H451-N455 WeakPolarHBondContact O-CB 3.41Å; H451-N455 PolarHBondContact O-N 2.75Å; H451-N455 VanDerWaalsContact O-N 3.08Å; H451-N455 PolarHBondContact O-ND2 2.7Å
452E45.2Very low48Very low81 Ų8173.3 Ų73.338%0.37937%0.365SS..Hα-helixtrans-66.8-45.5173-81.5172.3171.600111.3I448 H449 E454 N455 E456I448-E452 HydrophobicContact CG2-CG 4.25Å; I448-E452 WeakPolarHBondContact O-CB 3.44Å; I448-E452 VanDerWaalsContact O-CG 3.28Å; I448-E452 WeakPolarHBondContact O-CG 3.43Å; I448-E452 PolarHBondContact O-N 2.81Å; H449-E452 IonicContact CE1-OE2 2.94Å; H449-E452 IonicContact ND1-OE2 3.72Å; H449-E452 PolarHBondContact ND1-OE2 3.05Å; H449-E452 PolarHBondContact O-N 3.21Å; E452-E454 PolarHBondContact O-N 3.05Å; E452-N455 PolarHBondContact O-N 2.8Å; E452-E456 VanDerWaalsContact O-CB 3.31Å; E452-E456 WeakPolarHBondContact O-CB 3.42Å; E452-E456 VanDerWaalsContact O-CG 3.28Å; E452-E456 WeakPolarHBondContact O-CG 3.17Å; E452-E456 PolarHBondContact O-N 2.89Å
453Q47.1Very low49.3Very low47 Ų4770.7 Ų70.722%0.2235%0.353CS..Hα-helixtrans-62.2-42.4178.3-85.2-179.7-8.600112.6M353 H449 L457 E696M353-Q453 VanDerWaalsContact CE-OE1 3.24Å; H449-Q453 PolarHBondContact O-N 3.28Å; H449-Q453 VanDerWaalsContact O-N 3.1Å; Q453-L457 WeakPolarHBondContact O-CB 3.28Å; Q453-L457 PolarHBondContact O-N 3.33Å; Q453-E696 PolarHBondContact NE2-OE1 3Å
454E46.3Very low50.6Low43 Ų4368.7 Ų68.720%0.20134%0.342CS..Hα-helixtrans-70.4-39.5178.6-174.2166.2-14100112.7S356 T357 E450 E452 R458S356-E454 PolarHBondContact N-OE1 3.33Å; T357-E454 WeakPolarHBondContact CA-OE1 3.44Å; T357-E454 PolarHBondContact N-OE1 3.46Å; E450-E454 PolarHBondContact O-N 3.37Å; E452-E454 PolarHBondContact O-N 3.05Å; E454-R458 WeakPolarHBondContact O-CB 3.41Å; E454-R458 PolarHBondContact O-N 3.29Å; E454-R458 VanDerWaalsContact O-N 3.15Å
455N47.8Very low51.8Low55 Ų5567.8 Ų67.829%0.29433%0.333SS..Hα-helixtrans-70.6-37.7176.4-81.4-51.2000113.3H451 E452 R458 E459H451-N455 PolarHBondContact CD2-ND2 3.47Å; H451-N455 PolarHBondContact CE1-ND2 3.43Å; H451-N455 PolarHBondContact ND1-ND2 2.92Å; H451-N455 VanDerWaalsContact ND1-ND2 3.13Å; H451-N455 PolarHBondContact NE2-ND2 3.32Å; H451-N455 VanDerWaalsContact O-CB 3.32Å; H451-N455 WeakPolarHBondContact O-CB 3.41Å; H451-N455 PolarHBondContact O-N 2.75Å; H451-N455 VanDerWaalsContact O-N 3.08Å; H451-N455 PolarHBondContact O-ND2 2.7Å; E452-N455 PolarHBondContact O-N 2.8Å; N455-R458 WeakPolarHBondContact O-CB 3.49Å; N455-R458 PolarHBondContact O-N 3.16Å; N455-E459 WeakPolarHBondContact O-CB 3.42Å; N455-E459 PolarHBondContact O-N 3.41Å
456E53.6Low53.3Low80 Ų8071.3 Ų71.337%0.37434%0.336SS..Hα-helixtrans-68.9-40.1178.5-76.4174.8-17500111.6E452 R458 E459 Q460 R692E452-E456 VanDerWaalsContact O-CB 3.31Å; E452-E456 WeakPolarHBondContact O-CB 3.42Å; E452-E456 VanDerWaalsContact O-CG 3.28Å; E452-E456 WeakPolarHBondContact O-CG 3.17Å; E452-E456 PolarHBondContact O-N 2.89Å; E456-R458 VanDerWaalsContact C-N 3.29Å; E456-R458 PolarHBondContact O-N 3.38Å; E456-E459 PolarHBondContact O-N 2.59Å; E456-Q460 WeakPolarHBondContact O-CG 3.47Å; E456-Q460 PolarHBondContact O-N 3.23Å; E456-R692 IonicContact OE2-CZ 3.83Å; E456-R692 IonicContact OE2-NH1 3.99Å; E456-R692 PolarHBondContact OE2-NH1 3.02Å; E456-R692 IonicContact OE2-NH2 2.99Å; E456-R692 PolarHBondContact OE2-NH2 2.94Å
457L51.6Low55Low61 Ų6165.9 Ų65.932%0.31932%0.317SS..Hα-helixtrans-60.3-41.5172.4-177.565.2000111.2A226 Q453 M461A226-L457 HydrophobicContact CB-CD1 3.77Å; A226-L457 HydrophobicContact CB-CD2 4.48Å; Q453-L457 WeakPolarHBondContact O-CB 3.28Å; Q453-L457 PolarHBondContact O-N 3.33Å; L457-M461 WeakPolarHBondContact O-CB 3.25Å; L457-M461 VanDerWaalsContact O-CG 3.27Å; L457-M461 WeakPolarHBondContact O-CG 3.36Å; L457-M461 PolarHBondContact O-N 3Å
458R53.9Low56.6Low69 Ų6963.4 Ų63.426%0.2630%0.304SS..Hα-helixtrans-64.4-39.6175.1-178.6176.7177.5-106.5-6.6112.1E454 N455 E456 S462E454-R458 WeakPolarHBondContact O-CB 3.41Å; E454-R458 PolarHBondContact O-N 3.29Å; E454-R458 VanDerWaalsContact O-N 3.15Å; N455-R458 WeakPolarHBondContact O-CB 3.49Å; N455-R458 PolarHBondContact O-N 3.16Å; E456-R458 VanDerWaalsContact C-N 3.29Å; E456-R458 PolarHBondContact O-N 3.38Å; R458-S462 WeakPolarHBondContact O-CB 3.15Å; R458-S462 PolarHBondContact O-N 3.16Å
459E58.3Low57.8Low146 Ų14664.9 Ų64.968%0.68230%0.304SS*.Hα-helixtrans-67.7-42.6178.7-169.2163.5-157.800111.5N455 E456 S462 G463N455-E459 WeakPolarHBondContact O-CB 3.42Å; N455-E459 PolarHBondContact O-N 3.41Å; E456-E459 PolarHBondContact O-N 2.59Å; E459-S462 PolarHBondContact O-N 3.41Å; E459-G463 PolarHBondContact O-N 3Å
460Q60.1Low59.4Low62 Ų6267.1 Ų67.129%0.2932%0.315SS..Hα-helixtrans-60.8-48.1172.7-73.9-173.9-25.900111.9E456 S462 G463 Y464E456-Q460 WeakPolarHBondContact O-CG 3.47Å; E456-Q460 PolarHBondContact O-N 3.23Å; Q460-S462 VanDerWaalsContact C-N 3.32Å; Q460-S462 PolarHBondContact O-N 3.48Å; Q460-G463 PolarHBondContact O-N 3.13Å; Q460-Y464 WeakPolarHBondContact O-CB 3.36Å; Q460-Y464 PolarHBondContact O-N 2.77Å
461M60.2Low61.3Low27 Ų2764.6 Ų64.613%0.13330%0.303CS..Hα-helixtrans-65.6-35.1177.1-68.1-56.1-68.600112.1F178 M227 L230 L457 K465F178-M461 HydrophobicContact CE1-CE 3.64Å; F178-M461 HydrophobicContact CZ-CE 4.25Å; M227-M461 HydrophobicContact SD-SD 4.08Å; L230-M461 HydrophobicContact CD1-CE 4.11Å; L457-M461 WeakPolarHBondContact O-CB 3.25Å; L457-M461 VanDerWaalsContact O-CG 3.27Å; L457-M461 WeakPolarHBondContact O-CG 3.36Å; L457-M461 PolarHBondContact O-N 3Å; M461-K465 VanDerWaalsContact O-CB 3.28Å; M461-K465 WeakPolarHBondContact O-CB 3.48Å; M461-K465 WeakPolarHBondContact O-CG 3.48Å; M461-K465 PolarHBondContact O-N 3.39Å
462S61.8Low63Low41 Ų4164.9 Ų64.929%0.28730%0.304SS..Hα-helixtrans-68-38.8174.4-177.20000112.1R458 E459 Q460 R466R458-S462 WeakPolarHBondContact O-CB 3.15Å; R458-S462 PolarHBondContact O-N 3.16Å; E459-S462 PolarHBondContact O-N 3.41Å; Q460-S462 VanDerWaalsContact C-N 3.32Å; Q460-S462 PolarHBondContact O-N 3.48Å; S462-R466 WeakPolarHBondContact O-CB 3.27Å; S462-R466 PolarHBondContact O-N 2.93Å
463G65.4Low64.7Low38 Ų3868.8 Ų68.839%0.39232%0.32SS..Hα-helixtrans-64.6-47.8175.100000111.4E459 Q460 R466 M467E459-G463 PolarHBondContact O-N 3Å; Q460-G463 PolarHBondContact O-N 3.13Å; G463-R466 WeakPolarHBondContact O-CB 3.28Å; G463-R466 PolarHBondContact O-N 2.94Å; G463-M467 PolarHBondContact O-N 3.03Å
464Y66.3Low66.7Low11 Ų1170.1 Ų70.14%0.04333%0.326CS..Hα-helixtrans-60.9-46.4176.3-170.6-104.1000112.1M193 M227 Q460 R466 M467 R468 Q678 E682M193-Y464 HydrophobicContact CE-CD1 4.29Å; M193-Y464 HydrophobicContact CE-CE1 3.51Å; M227-Y464 HydrophobicContact CE-CE1 4.11Å; M227-Y464 HydrophobicContact CE-CE2 4.14Å; Q460-Y464 WeakPolarHBondContact O-CB 3.36Å; Q460-Y464 PolarHBondContact O-N 2.77Å; Y464-R466 VanDerWaalsContact C-N 3.32Å; Y464-R466 PolarHBondContact O-N 3.17Å; Y464-M467 HydrophobicContact CD2-CE 3.58Å; Y464-M467 HydrophobicContact CE2-CE 3.56Å; Y464-M467 HydrophobicContact CG-CE 4.41Å; Y464-M467 PolarHBondContact O-N 3Å; Y464-R468 HydrophobicContact CD1-CG 4.23Å; Y464-R468 HydrophobicContact CE1-CG 4.01Å; Y464-R468 WeakPolarHBondContact O-CG 3.46Å; Y464-R468 PolarHBondContact O-N 2.85Å; Y464-Q678 HydrophobicContact CE2-CG 4.27Å; Y464-Q678 PolarHBondContact OH-NE2 3.46Å; Y464-E682 HydrophobicContact CE2-CG 3.82Å; Y464-E682 WeakPolarHBondContact CE2-OE1 3.37Å; Y464-E682 PolarHBondContact OH-OE1 3.03Å
465K63.4Low68.6Low39 Ų3969.8 Ų69.817%0.1733%0.326CS..Hα-helixtrans-57.3-42.9173.4-78.7177.1177.2-168.40112.2F178 S361 M461 R468 R469F178-K465 VanDerWaalsContact O-CE 3.28Å; F178-K465 WeakPolarHBondContact O-CE 3.42Å; F178-K465 PolarHBondContact O-NZ 3.29Å; S361-K465 PolarHBondContact OG-NZ 3.33Å; M461-K465 VanDerWaalsContact O-CB 3.28Å; M461-K465 WeakPolarHBondContact O-CB 3.48Å; M461-K465 WeakPolarHBondContact O-CG 3.48Å; M461-K465 PolarHBondContact O-N 3.39Å; K465-R468 PolarHBondContact O-N 3.09Å; K465-R469 WeakPolarHBondContact O-CG 3.5Å; K465-R469 PolarHBondContact O-N 2.73Å
466R73Confident70.3Confident169 Ų16971 Ų7164%0.63833%0.331SS*.Hα-helixtrans-63.9-46.2178.7-173.7-174.3-61.51803.4111.3S462 G463 Y464 R469 Q470S462-R466 WeakPolarHBondContact O-CB 3.27Å; S462-R466 PolarHBondContact O-N 2.93Å; G463-R466 WeakPolarHBondContact O-CB 3.28Å; G463-R466 PolarHBondContact O-N 2.94Å; Y464-R466 VanDerWaalsContact C-N 3.32Å; Y464-R466 PolarHBondContact O-N 3.17Å; R466-R469 PolarHBondContact O-N 3.2Å; R466-Q470 PolarHBondContact O-N 3.39Å
467M80.7Confident72.1Confident20 Ų2070 Ų7010%0.09934%0.336CS..Hα-helixtrans-58.7-48.6176.5174.3-81.1-75.300110.9G463 Y464 R469 Q470 H471 Q678G463-M467 PolarHBondContact O-N 3.03Å; Y464-M467 HydrophobicContact CD2-CE 3.58Å; Y464-M467 HydrophobicContact CE2-CE 3.56Å; Y464-M467 HydrophobicContact CG-CE 4.41Å; Y464-M467 PolarHBondContact O-N 3Å; M467-R469 PolarHBondContact O-N 2.94Å; M467-Q470 WeakPolarHBondContact O-CA 3.18Å; M467-Q470 WeakPolarHBondContact O-CB 3.2Å; M467-Q470 PolarHBondContact O-N 3.39Å; M467-H471 PolarHBondContact O-CD2 3.19Å; M467-H471 VanDerWaalsContact O-CD2 3.23Å; M467-H471 PolarHBondContact O-N 3.29Å; M467-H471 PolarHBondContact SD-CE1 3.43Å; M467-H471 PolarHBondContact SD-ND1 2.91Å; M467-H471 VanDerWaalsContact SD-ND1 3.42Å; M467-H471 PolarHBondContact SD-NE2 3.36Å; M467-H471 VanDerWaalsContact SD-NE2 3.4Å; M467-Q678 HydrophobicContact CE-CB 3.99Å; M467-Q678 HydrophobicContact CE-CG 3.95Å; M467-Q678 HydrophobicContact SD-CB 4.37Å
468R75.1Confident74.1Confident37 Ų3768.5 Ų68.514%0.1433%0.329CS..Hα-helixtrans-61.5-41.1178.8-71.1-71-61.8-173.9-1.2112.8M193 D194 Y464 K465 Q470 H471 Q472M193-R468 HydrophobicContact CE-CG 4.31Å; M193-R468 PolarHBondContact O-NH2 3.49Å; D194-R468 IonicContact OD1-CZ 3.38Å; D194-R468 IonicContact OD1-NH1 2.92Å; D194-R468 IonicContact OD1-NH2 3.75Å; D194-R468 PolarHBondContact OD1-NH2 2.81Å; D194-R468 IonicContact OD2-CZ 2.68Å; D194-R468 IonicContact OD2-NH1 3.82Å; D194-R468 IonicContact OD2-NH2 3.2Å; D194-R468 PolarHBondContact OD2-NH2 3.31Å; Y464-R468 HydrophobicContact CD1-CG 4.23Å; Y464-R468 HydrophobicContact CE1-CG 4.01Å; Y464-R468 WeakPolarHBondContact O-CG 3.46Å; Y464-R468 PolarHBondContact O-N 2.85Å; K465-R468 PolarHBondContact O-N 3.09Å; R468-Q470 VanDerWaalsContact C-N 3.32Å; R468-Q470 PolarHBondContact O-N 3.07Å; R468-H471 WeakPolarHBondContact O-CB 3.42Å; R468-H471 PolarHBondContact O-N 3.47Å; R468-Q472 PolarHBondContact O-N 2.86Å
469R70.9Confident75.9Confident111 Ų11168.6 Ų68.642%0.41933%0.332SS..Hα-helixtrans-62-39.5172.9-74.7174178-175.3-3.3112.4S362 K465 R466 M467 Q472 K473S362-R469 PolarHBondContact O-NH2 3.31Å; S362-R469 PolarHBondContact OG-NH1 3.1Å; S362-R469 PolarHBondContact OG-NH2 3.14Å; K465-R469 WeakPolarHBondContact O-CG 3.5Å; K465-R469 PolarHBondContact O-N 2.73Å; R466-R469 PolarHBondContact O-N 3.2Å; M467-R469 PolarHBondContact O-N 2.94Å; R469-Q472 PolarHBondContact O-N 3.48Å; R469-K473 WeakPolarHBondContact O-CB 3.42Å; R469-K473 PolarHBondContact O-N 3.26Å
470Q77.8Confident77.5Confident109 Ų10966.4 Ų66.451%0.50933%0.325SS..Hα-helixtrans-65.5-41.8176.2-179176-9.900111.2R466 M467 R468 K473 Q474R466-Q470 PolarHBondContact O-N 3.39Å; M467-Q470 WeakPolarHBondContact O-CA 3.18Å; M467-Q470 WeakPolarHBondContact O-CB 3.2Å; M467-Q470 PolarHBondContact O-N 3.39Å; R468-Q470 VanDerWaalsContact C-N 3.32Å; R468-Q470 PolarHBondContact O-N 3.07Å; Q470-K473 PolarHBondContact O-N 3.15Å; Q470-Q474 WeakPolarHBondContact O-CG 3.45Å; Q470-Q474 PolarHBondContact O-N 3.18Å
471H85.8Confident79.2Confident10 Ų1070.6 Ų70.65%0.04634%0.342CS..Hα-helixtrans-59.1-49.5174.6-70.8-163.6000111.2M467 R468 K473 Q474 L475 L674M467-H471 PolarHBondContact O-CD2 3.19Å; M467-H471 VanDerWaalsContact O-CD2 3.23Å; M467-H471 PolarHBondContact O-N 3.29Å; M467-H471 PolarHBondContact SD-CE1 3.43Å; M467-H471 PolarHBondContact SD-ND1 2.91Å; M467-H471 VanDerWaalsContact SD-ND1 3.42Å; M467-H471 PolarHBondContact SD-NE2 3.36Å; M467-H471 VanDerWaalsContact SD-NE2 3.4Å; R468-H471 WeakPolarHBondContact O-CB 3.42Å; R468-H471 PolarHBondContact O-N 3.47Å; H471-K473 PolarHBondContact O-N 3.2Å; H471-Q474 PolarHBondContact O-N 3.13Å; H471-Q474 VanDerWaalsContact O-N 3.16Å; H471-L475 PolarHBondContact O-N 3.41Å; H471-L674 HydrophobicContact CB-CB 4.48Å; H471-L674 HydrophobicContact CB-CD1 4.05Å; H471-L674 HydrophobicContact CB-CD2 4.12Å; H471-L674 HydrophobicContact CB-CG 4.44Å; H471-L674 VanDerWaalsContact CD2-CD2 3.48Å; H471-L674 WeakPolarHBondContact CD2-CD2 3.45Å; H471-L674 PolarHBondContact CE1-O 2.94Å
472Q78.2Confident80.8Confident107 Ų10770.2 Ų70.250%0.534%0.341SS..Hα-helixtrans-60.3-43.9177.6-169.517924.100112R468 R469 Q474 L475 I476R468-Q472 PolarHBondContact O-N 2.86Å; R469-Q472 PolarHBondContact O-N 3.48Å; Q472-Q474 VanDerWaalsContact C-N 3.3Å; Q472-Q474 PolarHBondContact O-N 3.23Å; Q472-L475 PolarHBondContact O-N 3.01Å; Q472-I476 HydrophobicContact CG-CD1 4Å; Q472-I476 WeakPolarHBondContact O-CG1 3.35Å; Q472-I476 PolarHBondContact O-N 3.42Å
473K82.1Confident82.4Confident162 Ų16274.7 Ų74.770%0.70436%0.355SS*.Hα-helixtrans-59.8-40.5175.9-175.6179.6179.2-179.20112R469 Q470 H471 A477R469-K473 WeakPolarHBondContact O-CB 3.42Å; R469-K473 PolarHBondContact O-N 3.26Å; Q470-K473 PolarHBondContact O-N 3.15Å; H471-K473 PolarHBondContact O-N 3.2Å; K473-A477 VanDerWaalsContact O-CB 3.23Å; K473-A477 WeakPolarHBondContact O-CB 3.35Å; K473-A477 PolarHBondContact O-N 2.9Å
474Q88.9Confident83.8Confident75 Ų7575.6 Ų75.635%0.3536%0.359SS..Hα-helixtrans-66.8-40.3178.1-73178.418.100112.1Q470 H471 Q472 L478 L670Q470-Q474 WeakPolarHBondContact O-CG 3.45Å; Q470-Q474 PolarHBondContact O-N 3.18Å; H471-Q474 PolarHBondContact O-N 3.13Å; H471-Q474 VanDerWaalsContact O-N 3.16Å; Q472-Q474 VanDerWaalsContact C-N 3.3Å; Q472-Q474 PolarHBondContact O-N 3.23Å; Q474-L478 WeakPolarHBondContact O-CB 3.4Å; Q474-L478 PolarHBondContact O-N 2.94Å; Q474-L670 HydrophobicContact CB-CD2 4.45Å
475L86.4Confident85.3Confident36 Ų3678.6 Ų78.619%0.18837%0.373CS..Hα-helixtrans-63.1-51.5175.8-72.8169.8000111.6H471 Q472 A477 L478 E479 L667 L670 R671 L674H471-L475 PolarHBondContact O-N 3.41Å; Q472-L475 PolarHBondContact O-N 3.01Å; L475-A477 VanDerWaalsContact C-N 3.3Å; L475-A477 PolarHBondContact O-N 3.38Å; L475-L478 PolarHBondContact O-N 3.27Å; L475-L478 VanDerWaalsContact O-N 3.11Å; L475-E479 WeakPolarHBondContact O-CG 3.48Å; L475-E479 PolarHBondContact O-N 3.39Å; L475-L667 HydrophobicContact CD2-CD1 4.24Å; L475-L670 HydrophobicContact CD2-CD2 4.04Å; L475-L670 HydrophobicContact CD2-CG 4.22Å; L475-R671 HydrophobicContact CD2-CG 3.62Å; L475-L674 HydrophobicContact CD1-CD1 4.1Å; L475-L674 HydrophobicContact CD2-CD1 4Å; L475-L674 HydrophobicContact CG-CD1 3.73Å
476I82.7Confident86.9Confident81 Ų8177.9 Ų77.942%0.41537%0.371SS..Hα-helixtrans-59.8-42.4178.9-66.6168.3000111Q472 L478 E479 N480Q472-I476 HydrophobicContact CG-CD1 4Å; Q472-I476 WeakPolarHBondContact O-CG1 3.35Å; Q472-I476 PolarHBondContact O-N 3.42Å; I476-L478 VanDerWaalsContact C-N 3.33Å; I476-L478 PolarHBondContact O-N 3.34Å; I476-E479 PolarHBondContact O-N 3.17Å; I476-N480 WeakPolarHBondContact O-CB 3.18Å; I476-N480 VanDerWaalsContact O-CG 3.31Å; I476-N480 PolarHBondContact O-N 3.3Å; I476-N480 PolarHBondContact O-ND2 3.27Å
477A91.6Very high88Confident58 Ų5873.3 Ų73.348%0.47936%0.359SS..Hα-helixtrans-62.3-41.1177.400000111.9K473 L475 K481K473-A477 VanDerWaalsContact O-CB 3.23Å; K473-A477 WeakPolarHBondContact O-CB 3.35Å; K473-A477 PolarHBondContact O-N 2.9Å; L475-A477 VanDerWaalsContact C-N 3.3Å; L475-A477 PolarHBondContact O-N 3.38Å; A477-K481 WeakPolarHBondContact O-CB 3.4Å; A477-K481 PolarHBondContact O-N 3.01Å; A477-K481 VanDerWaalsContact O-N 3.15Å
478L94.1Very high88.7Confident30 Ų3079.4 Ų79.416%0.15739%0.387CS..Hα-helixtrans-66.9-47.7175.8-178.164.1000111.2Q474 L475 I476 N480 K481 L482 T666 L667 L670Q474-L478 WeakPolarHBondContact O-CB 3.4Å; Q474-L478 PolarHBondContact O-N 2.94Å; L475-L478 PolarHBondContact O-N 3.27Å; L475-L478 VanDerWaalsContact O-N 3.11Å; I476-L478 VanDerWaalsContact C-N 3.33Å; I476-L478 PolarHBondContact O-N 3.34Å; L478-N480 VanDerWaalsContact C-N 3.33Å; L478-N480 PolarHBondContact O-N 3.2Å; L478-K481 WeakPolarHBondContact O-CA 3.34Å; L478-K481 WeakPolarHBondContact O-CB 3.43Å; L478-K481 PolarHBondContact O-N 3.47Å; L478-L482 HydrophobicContact CD1-CD1 4.37Å; L478-L482 HydrophobicContact CD1-CD2 4.3Å; L478-L482 HydrophobicContact CD1-CG 4.17Å; L478-L482 HydrophobicContact CD2-CD1 4.44Å; L478-L482 HydrophobicContact CG-CD1 3.95Å; L478-L482 HydrophobicContact CG-CG 4.19Å; L478-L482 VanDerWaalsContact O-CG 3.28Å; L478-L482 WeakPolarHBondContact O-CG 3.4Å; L478-L482 PolarHBondContact O-N 3.18Å; L478-T666 HydrophobicContact CD1-CG2 4.18Å; L478-T666 HydrophobicContact CD2-CG2 4.17Å; L478-L667 HydrophobicContact CD2-CD1 4.17Å; L478-L670 HydrophobicContact CB-CD2 3.92Å; L478-L670 HydrophobicContact CD2-CB 3.92Å; L478-L670 HydrophobicContact CD2-CD2 3.48Å; L478-L670 VanDerWaalsContact CD2-CD2 3.48Å; L478-L670 HydrophobicContact CD2-CG 4.34Å; L478-L670 HydrophobicContact CG-CD2 4.31Å
479E90.4Very high89.8Confident72 Ų7278.9 Ų78.934%0.33639%0.386SS..Hα-helixtrans-57.9-43.8179.4-73.4175.8166.200112.2L475 I476 K481 L482 K483 L667 R671L475-E479 WeakPolarHBondContact O-CG 3.48Å; L475-E479 PolarHBondContact O-N 3.39Å; I476-E479 PolarHBondContact O-N 3.17Å; E479-K481 VanDerWaalsContact C-N 3.32Å; E479-K481 PolarHBondContact O-N 2.96Å; E479-L482 PolarHBondContact O-N 3Å; E479-K483 WeakPolarHBondContact O-CB 3.39Å; E479-K483 PolarHBondContact O-N 3.41Å; E479-L667 HydrophobicContact CG-CD1 3.86Å; E479-R671 IonicContact OE1-NH2 2.69Å
480N92.1Very high91Very high99 Ų9981.1 Ų81.153%0.52940%0.395SS..Hα-helixtrans-62.2-39.6174.7-74.1-27000112.2I476 L478 K483 A484I476-N480 WeakPolarHBondContact O-CB 3.18Å; I476-N480 VanDerWaalsContact O-CG 3.31Å; I476-N480 PolarHBondContact O-N 3.3Å; I476-N480 PolarHBondContact O-ND2 3.27Å; L478-N480 VanDerWaalsContact C-N 3.33Å; L478-N480 PolarHBondContact O-N 3.2Å; N480-K483 PolarHBondContact O-N 3.24Å; N480-A484 PolarHBondContact O-N 2.82Å
481K96.3Very high91.9Very high150 Ų15081.6 Ų81.665%0.65240%0.4SS*.Hα-helixtrans-65.1-44.4176.3-173.5-178.9179.4-178.40111.7A477 L478 E479 K483 A484 E485A477-K481 WeakPolarHBondContact O-CB 3.4Å; A477-K481 PolarHBondContact O-N 3.01Å; A477-K481 VanDerWaalsContact O-N 3.15Å; L478-K481 WeakPolarHBondContact O-CA 3.34Å; L478-K481 WeakPolarHBondContact O-CB 3.43Å; L478-K481 PolarHBondContact O-N 3.47Å; E479-K481 VanDerWaalsContact C-N 3.32Å; E479-K481 PolarHBondContact O-N 2.96Å; K481-K483 VanDerWaalsContact C-N 3.32Å; K481-K483 PolarHBondContact O-N 3.42Å; K481-A484 PolarHBondContact O-N 3.43Å; K481-E485 PolarHBondContact O-N 2.93Å
482L94.9Very high92.4Very high19 Ų1987.4 Ų87.410%0.09943%0.425CS..Hα-helixtrans-65.1-37.3177.8-61.7173.4000111.1L478 E479 E485 M486 Q663 L667L478-L482 HydrophobicContact CD1-CD1 4.37Å; L478-L482 HydrophobicContact CD1-CD2 4.3Å; L478-L482 HydrophobicContact CD1-CG 4.17Å; L478-L482 HydrophobicContact CD2-CD1 4.44Å; L478-L482 HydrophobicContact CG-CD1 3.95Å; L478-L482 HydrophobicContact CG-CG 4.19Å; L478-L482 VanDerWaalsContact O-CG 3.28Å; L478-L482 WeakPolarHBondContact O-CG 3.4Å; L478-L482 PolarHBondContact O-N 3.18Å; E479-L482 PolarHBondContact O-N 3Å; L482-E485 PolarHBondContact O-N 3.18Å; L482-M486 PolarHBondContact O-N 3.2Å; L482-Q663 HydrophobicContact CB-CG 4.37Å; L482-Q663 HydrophobicContact CD1-CB 4.26Å; L482-Q663 HydrophobicContact CD2-CB 3.98Å; L482-Q663 HydrophobicContact CD2-CG 3.73Å; L482-Q663 HydrophobicContact CG-CB 4.48Å; L482-Q663 HydrophobicContact CG-CG 4.48Å; L482-Q663 PolarHBondContact O-NE2 2.63Å; L482-L667 HydrophobicContact CD1-CB 4.31Å
483K94.3Very high93.2Very high136 Ų13683.4 Ų83.459%0.59141%0.407SS*.Hα-helixtrans-62.1-47.9173.9-173.9178.7179-176.80111.9E479 N480 K481 E485 M486 D487E479-K483 WeakPolarHBondContact O-CB 3.39Å; E479-K483 PolarHBondContact O-N 3.41Å; N480-K483 PolarHBondContact O-N 3.24Å; K481-K483 VanDerWaalsContact C-N 3.32Å; K481-K483 PolarHBondContact O-N 3.42Å; K483-E485 VanDerWaalsContact C-N 3.32Å; K483-E485 PolarHBondContact O-N 3.18Å; K483-M486 WeakPolarHBondContact O-CB 3.4Å; K483-M486 PolarHBondContact O-N 3.45Å; K483-D487 PolarHBondContact O-N 3.45Å
484A95.9Very high93.8Very high57 Ų5780.9 Ų80.947%0.47140%0.398SS..Hα-helixtrans-60.1-41.8176.600000112.1N480 K481 M486 D487 E488N480-A484 PolarHBondContact O-N 2.82Å; K481-A484 PolarHBondContact O-N 3.43Å; A484-M486 VanDerWaalsContact C-N 3.35Å; A484-M486 PolarHBondContact O-N 3.3Å; A484-D487 PolarHBondContact O-N 2.9Å; A484-E488 PolarHBondContact O-N 3.28Å
485E97.4Very high94.2Very high74 Ų7484.3 Ų84.335%0.34641%0.412SS..Hα-helixtrans-62.1-39.4175.5-174.3-172.4-166.100112.1K481 L482 K483 H489 L659 Q663K481-E485 PolarHBondContact O-N 2.93Å; L482-E485 PolarHBondContact O-N 3.18Å; K483-E485 VanDerWaalsContact C-N 3.32Å; K483-E485 PolarHBondContact O-N 3.18Å; E485-H489 WeakPolarHBondContact O-CB 3.12Å; E485-H489 PolarHBondContact O-N 3.4Å; E485-L659 HydrophobicContact CG-CD1 4.01Å; E485-L659 WeakPolarHBondContact OE1-CD1 3.41Å; E485-Q663 PolarHBondContact OE2-NE2 3.03Å
486M96.3Very high94.6Very high23 Ų2386.3 Ų86.311%0.11342%0.42CS..Hα-helixtrans-65.2-40.8174.4-80.4-59.3-5200112.7L482 K483 A484 H489 R490 T656 L659L482-M486 PolarHBondContact O-N 3.2Å; K483-M486 WeakPolarHBondContact O-CB 3.4Å; K483-M486 PolarHBondContact O-N 3.45Å; A484-M486 VanDerWaalsContact C-N 3.35Å; A484-M486 PolarHBondContact O-N 3.3Å; M486-H489 PolarHBondContact O-N 3.23Å; M486-R490 WeakPolarHBondContact O-CG 3.34Å; M486-R490 PolarHBondContact O-N 3.13Å; M486-T656 HydrophobicContact CE-CG2 4.41Å; M486-L659 HydrophobicContact CE-CD2 4.5Å; M486-L659 HydrophobicContact SD-CD2 3.43Å; M486-L659 WeakPolarHBondContact SD-CD2 3.28Å; M486-L659 HydrophobicContact SD-CG 3.66Å
487D95.9Very high95.2Very high74 Ų7485.6 Ų85.640%0.39642%0.42SS..Hα-helixtrans-69-39.5180-69.4-27.3000111.1K483 A484 R490 L491K483-D487 PolarHBondContact O-N 3.45Å; A484-D487 PolarHBondContact O-N 2.9Å; D487-R490 PolarHBondContact O-N 3.39Å; D487-R490 IonicContact OD1-NH1 3.93Å; D487-L491 WeakPolarHBondContact O-CB 3.32Å; D487-L491 PolarHBondContact O-N 3.1Å
488E96.9Very high95.3Very high147 Ų14787.6 Ų87.669%0.68742%0.419SS*.Hα-helixtrans-61.5-44.1172.1-173.3-177.6171.600111.8A484 L491 K492A484-E488 PolarHBondContact O-N 3.28Å; E488-L491 PolarHBondContact O-N 2.92Å; E488-K492 PolarHBondContact O-N 2.87Å
489H97.2Very high95.3Very high26 Ų2689.5 Ų89.512%0.1243%0.432CS..Hα-helixtrans-61-47.1176.9-177.1-95.2000111.7E485 M486 L491 K492 L493 S655 T656 L659E485-H489 WeakPolarHBondContact O-CB 3.12Å; E485-H489 PolarHBondContact O-N 3.4Å; M486-H489 PolarHBondContact O-N 3.23Å; H489-L491 VanDerWaalsContact C-N 3.34Å; H489-L491 PolarHBondContact O-N 3.07Å; H489-K492 WeakPolarHBondContact O-CB 3.33Å; H489-K492 PolarHBondContact O-N 2.98Å; H489-L493 VanDerWaalsContact CE1-CD1 3.49Å; H489-L493 WeakPolarHBondContact CE1-CD1 3.36Å; H489-L493 WeakPolarHBondContact O-CG 3.38Å; H489-L493 PolarHBondContact O-N 3.09Å; H489-S655 PolarHBondContact NE2-OG 3.45Å; H489-T656 PolarHBondContact CE1-OG1 2.67Å; H489-L659 HydrophobicContact CB-CD2 3.53Å
490R95.8Very high95.4Very high158 Ų15888.1 Ų88.160%0.59643%0.425SS*.Hα-helixtrans-57.8-44.9175.8-75.9172.8176.8173.1-2.1112.4M486 D487 K492 L493 Q494M486-R490 WeakPolarHBondContact O-CG 3.34Å; M486-R490 PolarHBondContact O-N 3.13Å; D487-R490 PolarHBondContact O-N 3.39Å; D487-R490 IonicContact OD1-NH1 3.93Å; R490-K492 VanDerWaalsContact C-N 3.31Å; R490-K492 PolarHBondContact O-N 2.97Å; R490-L493 PolarHBondContact O-N 3.37Å; R490-Q494 WeakPolarHBondContact O-CB 3.49Å; R490-Q494 PolarHBondContact O-N 2.87Å
491L96.7Very high95.5Very high119 Ų11986 Ų8662%0.62342%0.421SS*.Hα-helixtrans-62.1-40.9178.5-175.365.7000111.4D487 E488 H489 Q494 K495D487-L491 WeakPolarHBondContact O-CB 3.32Å; D487-L491 PolarHBondContact O-N 3.1Å; E488-L491 PolarHBondContact O-N 2.92Å; H489-L491 VanDerWaalsContact C-N 3.34Å; H489-L491 PolarHBondContact O-N 3.07Å; L491-Q494 PolarHBondContact O-N 2.83Å; L491-K495 PolarHBondContact O-N 3.46Å
492K96.8Very high95.3Very high133 Ų13383.8 Ų83.858%0.57842%0.417SS*.Hα-helixtrans-61.3-47.5175.4-174.9-178.9176.7-177.50111.6E488 H489 R490 Q494 K495 E496E488-K492 PolarHBondContact O-N 2.87Å; H489-K492 WeakPolarHBondContact O-CB 3.33Å; H489-K492 PolarHBondContact O-N 2.98Å; R490-K492 VanDerWaalsContact C-N 3.31Å; R490-K492 PolarHBondContact O-N 2.97Å; K492-Q494 PolarHBondContact O-N 3.4Å; K492-K495 PolarHBondContact O-N 3.26Å; K492-E496 WeakPolarHBondContact O-CG 3.45Å; K492-E496 PolarHBondContact O-N 3Å; K492-E496 VanDerWaalsContact O-N 3.12Å
493L95.4Very high95.2Very high23 Ų2387.2 Ų87.212%0.1244%0.435CS..Hα-helixtrans-61.4-44.4177.9-62.5-170000111.7H489 R490 K495 E496 V497 H652H489-L493 VanDerWaalsContact CE1-CD1 3.49Å; H489-L493 WeakPolarHBondContact CE1-CD1 3.36Å; H489-L493 WeakPolarHBondContact O-CG 3.38Å; H489-L493 PolarHBondContact O-N 3.09Å; R490-L493 PolarHBondContact O-N 3.37Å; L493-K495 VanDerWaalsContact C-N 3.34Å; L493-K495 PolarHBondContact O-N 2.92Å; L493-E496 PolarHBondContact O-N 3.49Å; L493-V497 WeakPolarHBondContact O-CG2 3.29Å; L493-V497 PolarHBondContact O-N 2.7Å; L493-H652 HydrophobicContact CD1-CB 4.02Å; L493-H652 HydrophobicContact CD2-CB 4.31Å; L493-H652 PolarHBondContact O-CE1 3.18Å; L493-H652 VanDerWaalsContact O-CE1 3.32Å
494Q95.2Very high95.1Very high109 Ų10981.7 Ų81.751%0.50941%0.414SS..Hα-helixtrans-58.3-46177.5-179.4176.6-1000111.8R490 L491 K492 E496 V497 E498R490-Q494 WeakPolarHBondContact O-CB 3.49Å; R490-Q494 PolarHBondContact O-N 2.87Å; L491-Q494 PolarHBondContact O-N 2.83Å; K492-Q494 PolarHBondContact O-N 3.4Å; Q494-E496 VanDerWaalsContact C-N 3.29Å; Q494-E496 PolarHBondContact O-N 2.9Å; Q494-V497 PolarHBondContact O-N 2.64Å; Q494-V497 VanDerWaalsContact O-N 3.11Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.24Å; Q494-E498 PolarHBondContact NE2-OE1 3.04Å; Q494-E498 WeakPolarHBondContact O-CG 3.41Å; Q494-E498 PolarHBondContact O-N 3.23Å
495K96.3Very high94.9Very high146 Ų14682.6 Ų82.664%0.63542%0.416SS*.Hα-helixtrans-61-38.2177.9-172.9176.4-177.7176.90112.5L491 K492 L493 T499L491-K495 PolarHBondContact O-N 3.46Å; K492-K495 PolarHBondContact O-N 3.26Å; L493-K495 VanDerWaalsContact C-N 3.34Å; L493-K495 PolarHBondContact O-N 2.92Å; K495-T499 WeakPolarHBondContact O-CB 3.17Å; K495-T499 PolarHBondContact O-N 3.4Å; K495-T499 PolarHBondContact O-OG1 3.35Å
496E95.1Very high94.8Very high79 Ų7982.7 Ų82.737%0.36942%0.419SS..Hα-helixtrans-63-45.4174.3-67.9178.9-170.400110.7K492 L493 Q494 E498 T499 H500 M648 H652K492-E496 WeakPolarHBondContact O-CG 3.45Å; K492-E496 PolarHBondContact O-N 3Å; K492-E496 VanDerWaalsContact O-N 3.12Å; L493-E496 PolarHBondContact O-N 3.49Å; Q494-E496 VanDerWaalsContact C-N 3.29Å; Q494-E496 PolarHBondContact O-N 2.9Å; E496-E498 PolarHBondContact O-N 3.06Å; E496-T499 WeakPolarHBondContact O-CB 3.21Å; E496-T499 PolarHBondContact O-N 3.01Å; E496-H500 PolarHBondContact O-N 3.13Å; E496-M648 HydrophobicContact CB-CE 3.33Å; E496-M648 WeakPolarHBondContact O-CE 3.39Å; E496-H652 IonicContact OE2-CD2 2.8Å; E496-H652 IonicContact OE2-CE1 2.75Å; E496-H652 IonicContact OE2-NE2 2.62Å; E496-H652 PolarHBondContact OE2-NE2 2.89Å
497V94Very high94.5Very high66 Ų6685.3 Ų85.340%0.443%0.43SS..Hα-helixtrans-60.7-46.9-179.8173.50000110.9L493 Q494 T499 H500 A501 M648L493-V497 WeakPolarHBondContact O-CG2 3.29Å; L493-V497 PolarHBondContact O-N 2.7Å; Q494-V497 PolarHBondContact O-N 2.64Å; Q494-V497 VanDerWaalsContact O-N 3.11Å; V497-T499 VanDerWaalsContact C-N 3.29Å; V497-T499 PolarHBondContact O-N 3.32Å; V497-H500 PolarHBondContact O-N 3.28Å; V497-A501 WeakPolarHBondContact O-CB 3.4Å; V497-A501 PolarHBondContact O-N 3.29Å; V497-M648 HydrophobicContact CB-CE 4.33Å; V497-M648 HydrophobicContact CG2-CE 3.82Å; V497-M648 VanDerWaalsContact N-CE 3.26Å
498E94.4Very high94.2Very high100 Ų10084.6 Ų84.647%0.46743%0.426SS..Hα-helixtrans-59.8-41.5177.1-71.7172.7-169.700111.6Q494 E496 A501 N502Q494-E498 WeakPolarHBondContact CG-OE1 3.24Å; Q494-E498 PolarHBondContact NE2-OE1 3.04Å; Q494-E498 WeakPolarHBondContact O-CG 3.41Å; Q494-E498 PolarHBondContact O-N 3.23Å; E496-E498 PolarHBondContact O-N 3.06Å; E498-A501 PolarHBondContact O-N 3.14Å; E498-N502 WeakPolarHBondContact O-CB 3.23Å; E498-N502 PolarHBondContact O-N 2.81Å; E498-N502 PolarHBondContact O-ND2 3.32Å
499T94.8Very high94.1Very high69 Ų6982.2 Ų82.242%0.42342%0.415SS..Hα-helixtrans-63.6-44177-56.30000111.4K495 E496 V497 N502 N503K495-T499 WeakPolarHBondContact O-CB 3.17Å; K495-T499 PolarHBondContact O-N 3.4Å; K495-T499 PolarHBondContact O-OG1 3.35Å; E496-T499 WeakPolarHBondContact O-CB 3.21Å; E496-T499 PolarHBondContact O-N 3.01Å; V497-T499 VanDerWaalsContact C-N 3.29Å; V497-T499 PolarHBondContact O-N 3.32Å; T499-N502 PolarHBondContact O-N 2.87Å; T499-N503 WeakPolarHBondContact O-CB 3.45Å; T499-N503 VanDerWaalsContact O-CG 3.27Å; T499-N503 PolarHBondContact O-N 3.15Å; T499-N503 PolarHBondContact O-ND2 3.38Å
500H92.9Very high93.9Very high43 Ų4387.6 Ų87.620%0.19944%0.438CS..Hα-helixtrans-64.9-42.8177.5-176.5-90.4000112.2E496 V497 N503 S504 M648E496-H500 PolarHBondContact O-N 3.13Å; V497-H500 PolarHBondContact O-N 3.28Å; H500-N503 PolarHBondContact O-N 2.71Å; H500-S504 PolarHBondContact CE1-OG 2.82Å; H500-S504 WeakPolarHBondContact O-CB 3.44Å; H500-S504 PolarHBondContact O-N 2.94Å; H500-S504 PolarHBondContact O-OG 3.03Å; H500-M648 HydrophobicContact CB-CE 4.46Å; H500-M648 HydrophobicContact CB-SD 3.87Å
501A92.4Very high93.7Very high54 Ų5481.2 Ų81.245%0.44642%0.416SS..Hα-helixtrans-61.5-45.5177.300000111.7V497 E498 S504 S505V497-A501 WeakPolarHBondContact O-CB 3.4Å; V497-A501 PolarHBondContact O-N 3.29Å; E498-A501 PolarHBondContact O-N 3.14Å; A501-S504 PolarHBondContact O-N 3.14Å; A501-S505 PolarHBondContact O-N 3.46Å
502N93.8Very high93.5Very high105 Ų10577.9 Ų77.956%0.56141%0.405SS*.Hα-helixtrans-61.1-46.4176.2-77.4-21.9000112E498 T499 S504 S505 I506E498-N502 WeakPolarHBondContact O-CB 3.23Å; E498-N502 PolarHBondContact O-N 2.81Å; E498-N502 PolarHBondContact O-ND2 3.32Å; T499-N502 PolarHBondContact O-N 2.87Å; N502-S504 VanDerWaalsContact C-N 3.32Å; N502-S504 PolarHBondContact O-N 3.43Å; N502-S505 PolarHBondContact O-N 3.47Å; N502-I506 VanDerWaalsContact O-CG1 3.29Å; N502-I506 WeakPolarHBondContact O-CG1 3.28Å; N502-I506 PolarHBondContact O-N 2.98Å
503N93Very high93.3Very high91 Ų9177.6 Ų77.649%0.48740%0.404SS..Hα-helixtrans-60.7-42.7176.9-73-19000111.9T499 H500 S505 I506 E507T499-N503 WeakPolarHBondContact O-CB 3.45Å; T499-N503 VanDerWaalsContact O-CG 3.27Å; T499-N503 PolarHBondContact O-N 3.15Å; T499-N503 PolarHBondContact O-ND2 3.38Å; H500-N503 PolarHBondContact O-N 2.71Å; N503-S505 PolarHBondContact O-N 3.34Å; N503-I506 PolarHBondContact O-N 3.1Å; N503-E507 WeakPolarHBondContact O-CG 3.27Å; N503-E507 PolarHBondContact O-N 3.08Å
504S91.3Very high93.2Very high20 Ų2081.8 Ų81.814%0.1442%0.421CS..Hα-helixtrans-63.2-42.2179.1-62.10000112.2H500 A501 N502 E507 L508 Q641H500-S504 PolarHBondContact CE1-OG 2.82Å; H500-S504 WeakPolarHBondContact O-CB 3.44Å; H500-S504 PolarHBondContact O-N 2.94Å; H500-S504 PolarHBondContact O-OG 3.03Å; A501-S504 PolarHBondContact O-N 3.14Å; N502-S504 VanDerWaalsContact C-N 3.32Å; N502-S504 PolarHBondContact O-N 3.43Å; S504-E507 PolarHBondContact O-N 2.93Å; S504-L508 WeakPolarHBondContact O-CG 3.49Å; S504-L508 PolarHBondContact O-N 3.42Å; S504-L508 VanDerWaalsContact O-N 3.08Å; S504-Q641 PolarHBondContact O-NE2 3.32Å; S504-Q641 VanDerWaalsContact O-NE2 3.09Å
505S92.4Very high93Very high75 Ų7578 Ų7852%0.52440%0.403SS..Hα-helixtrans-59.4-49.5174.9-178.20000111.8A501 N502 N503 E507 L508 E509A501-S505 PolarHBondContact O-N 3.46Å; N502-S505 PolarHBondContact O-N 3.47Å; N503-S505 PolarHBondContact O-N 3.34Å; S505-E507 VanDerWaalsContact C-N 3.31Å; S505-E507 PolarHBondContact O-N 2.91Å; S505-L508 PolarHBondContact O-N 3.46Å; S505-E509 PolarHBondContact O-N 3.4Å
506I93.9Very high92.8Very high77 Ų7774.9 Ų74.940%0.39540%0.397SS..Hα-helixtrans-60-41179.2-67.4167.1000111.4N502 N503 K510N502-I506 VanDerWaalsContact O-CG1 3.29Å; N502-I506 WeakPolarHBondContact O-CG1 3.28Å; N502-I506 PolarHBondContact O-N 2.98Å; N503-I506 PolarHBondContact O-N 3.1Å; I506-K510 HydrophobicContact CG2-CD 4.17Å; I506-K510 WeakPolarHBondContact O-CB 3.09Å; I506-K510 VanDerWaalsContact O-CG 3.28Å; I506-K510 WeakPolarHBondContact O-CG 3.09Å; I506-K510 PolarHBondContact O-N 2.98Å
507E91.4Very high92.7Very high77 Ų7773.8 Ų73.836%0.3640%0.401SS..Hα-helixtrans-67.8-40.3178.6-73.7-162.7128.800113.4N503 S504 S505 K510 L511 K637 Q641N503-E507 WeakPolarHBondContact O-CG 3.27Å; N503-E507 PolarHBondContact O-N 3.08Å; S504-E507 PolarHBondContact O-N 2.93Å; S505-E507 VanDerWaalsContact C-N 3.31Å; S505-E507 PolarHBondContact O-N 2.91Å; E507-K510 PolarHBondContact O-N 3.4Å; E507-L511 PolarHBondContact O-N 3.16Å; E507-K637 IonicContact OE1-NZ 3.6Å; E507-K637 PolarHBondContact OE1-NZ 3.06Å; E507-K637 WeakPolarHBondContact OE2-CE 3.45Å; E507-K637 IonicContact OE2-NZ 3.03Å; E507-K637 PolarHBondContact OE2-NZ 3.19Å; E507-Q641 PolarHBondContact OE2-NE2 2.85Å
508L89.6Confident92.5Very high59 Ų5973.4 Ų73.431%0.30940%0.396SS..Hα-helixtrans-65.7-40.9176.4-73.3174.4000111.2S504 S505 K510 L511 A512 K637 K638S504-L508 WeakPolarHBondContact O-CG 3.49Å; S504-L508 PolarHBondContact O-N 3.42Å; S504-L508 VanDerWaalsContact O-N 3.08Å; S505-L508 PolarHBondContact O-N 3.46Å; L508-K510 PolarHBondContact O-N 2.84Å; L508-L511 PolarHBondContact O-N 2.96Å; L508-A512 WeakPolarHBondContact O-CB 3.46Å; L508-A512 PolarHBondContact O-N 3.41Å; L508-K637 HydrophobicContact CD2-CG 4.45Å; L508-K638 HydrophobicContact CD2-CG 4.35Å
509E92.8Very high92.2Very high98 Ų9872.9 Ų72.946%0.45840%0.396SS..Hα-helixtrans-63.4-42.5176.4-165.7-168.8167.300111.6S505 L511 A512 K513S505-E509 PolarHBondContact O-N 3.4Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 2.91Å; E509-A512 PolarHBondContact O-N 3.48Å; E509-K513 HydrophobicContact CG-CD 4.5Å; E509-K513 WeakPolarHBondContact O-CG 3.46Å; E509-K513 PolarHBondContact O-N 3.03Å; E509-K513 WeakPolarHBondContact OE1-CE 3.45Å; E509-K513 IonicContact OE1-NZ 3.87Å; E509-K513 PolarHBondContact OE1-NZ 3.36Å
510K93.9Very high92Very high138 Ų13874.5 Ų74.560%0.640%0.399SS*.Hα-helixtrans-60.4-42.6174.2-76.6172.9-178.2175.30111.8I506 E507 L508 K514I506-K510 HydrophobicContact CG2-CD 4.17Å; I506-K510 WeakPolarHBondContact O-CB 3.09Å; I506-K510 VanDerWaalsContact O-CG 3.28Å; I506-K510 WeakPolarHBondContact O-CG 3.09Å; I506-K510 PolarHBondContact O-N 2.98Å; E507-K510 PolarHBondContact O-N 3.4Å; L508-K510 PolarHBondContact O-N 2.84Å; K510-K514 WeakPolarHBondContact O-CB 3.34Å; K510-K514 PolarHBondContact O-N 3.3Å
511L92.4Very high91.8Very high25 Ų2579.4 Ų79.413%0.13142%0.419CS..Hα-helixtrans-64.6-45.7177.7-175.663.9000111.3E507 L508 E509 K513 K514 Q515 K637E507-L511 PolarHBondContact O-N 3.16Å; L508-L511 PolarHBondContact O-N 2.96Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 2.91Å; L511-K513 PolarHBondContact O-N 3.38Å; L511-K514 WeakPolarHBondContact O-CB 3.2Å; L511-K514 PolarHBondContact O-N 3Å; L511-Q515 WeakPolarHBondContact O-CG 3.36Å; L511-Q515 PolarHBondContact O-N 3.44Å; L511-K637 HydrophobicContact CD2-CB 3.88Å; L511-K637 HydrophobicContact CD2-CG 4.12Å
512A91.1Very high91.6Very high48 Ų4880.5 Ų80.540%0.39742%0.415SS..Hα-helixtrans-59.6-46.1177.500000111.8L508 E509 K514 Q515 V516L508-A512 WeakPolarHBondContact O-CB 3.46Å; L508-A512 PolarHBondContact O-N 3.41Å; E509-A512 PolarHBondContact O-N 3.48Å; A512-K514 VanDerWaalsContact C-N 3.33Å; A512-K514 PolarHBondContact O-N 3.4Å; A512-Q515 PolarHBondContact O-N 2.92Å; A512-V516 WeakPolarHBondContact O-CG2 3.27Å; A512-V516 PolarHBondContact O-N 2.8Å
513K93.6Very high91.3Very high128 Ų12878.3 Ų78.356%0.55741%0.411SS*.Hα-helixtrans-59.1-42.7175.4-73.8175.3-177169.20112.1E509 L511 A517E509-K513 HydrophobicContact CG-CD 4.5Å; E509-K513 WeakPolarHBondContact O-CG 3.46Å; E509-K513 PolarHBondContact O-N 3.03Å; E509-K513 WeakPolarHBondContact OE1-CE 3.45Å; E509-K513 IonicContact OE1-NZ 3.87Å; E509-K513 PolarHBondContact OE1-NZ 3.36Å; L511-K513 PolarHBondContact O-N 3.38Å; K513-A517 PolarHBondContact O-N 3.25Å; K513-A517 VanDerWaalsContact O-N 3.1Å
514K92.9Very high91.2Very high111 Ų11180.9 Ų80.948%0.48342%0.418SS..Hα-helixtrans-61-44.2175.7-176.9-168.1172.9-157.20111.5K510 L511 A512 A517 I518 E633K510-K514 WeakPolarHBondContact O-CB 3.34Å; K510-K514 PolarHBondContact O-N 3.3Å; L511-K514 WeakPolarHBondContact O-CB 3.2Å; L511-K514 PolarHBondContact O-N 3Å; A512-K514 VanDerWaalsContact C-N 3.33Å; A512-K514 PolarHBondContact O-N 3.4Å; K514-A517 PolarHBondContact O-N 3.22Å; K514-I518 HydrophobicContact CG-CD1 4.11Å; K514-I518 WeakPolarHBondContact O-CG1 3.32Å; K514-I518 PolarHBondContact O-N 3.17Å; K514-I518 VanDerWaalsContact O-N 3.08Å; K514-E633 IonicContact NZ-OE2 3.61Å
515Q91.8Very high91.1Very high28 Ų2883 Ų8313%0.13143%0.43CS..Hα-helixtrans-64.9-44.2-179.9-71176.1-7.400112.2L511 A512 A517 I518 I519 N630L511-Q515 WeakPolarHBondContact O-CG 3.36Å; L511-Q515 PolarHBondContact O-N 3.44Å; A512-Q515 PolarHBondContact O-N 2.92Å; Q515-A517 VanDerWaalsContact C-N 3.33Å; Q515-A517 PolarHBondContact O-N 2.88Å; Q515-I518 PolarHBondContact O-N 2.88Å; Q515-I519 WeakPolarHBondContact O-CG1 3.36Å; Q515-I519 PolarHBondContact O-N 3.34Å; Q515-N630 HydrophobicContact CG-CB 4.19Å; Q515-N630 PolarHBondContact NE2-O 3.12Å; Q515-N630 VanDerWaalsContact NE2-O 3.09Å
516V91.9Very high90.9Very high82 Ų8280.4 Ų80.450%0.49741%0.414SS..Hα-helixtrans-58.5-46.2175.3172.60000110.7A512 I518 I519 E520A512-V516 WeakPolarHBondContact O-CG2 3.27Å; A512-V516 PolarHBondContact O-N 2.8Å; V516-I518 VanDerWaalsContact C-N 3.31Å; V516-I518 PolarHBondContact O-N 2.71Å; V516-I519 PolarHBondContact O-N 3.1Å; V516-E520 PolarHBondContact O-N 3.1Å
517A91.8Very high90.6Very high56 Ų5679 Ų7946%0.46341%0.413SS..Hα-helixtrans-61-38178.500000112.9K513 K514 Q515 K521K513-A517 PolarHBondContact O-N 3.25Å; K513-A517 VanDerWaalsContact O-N 3.1Å; K514-A517 PolarHBondContact O-N 3.22Å; Q515-A517 VanDerWaalsContact C-N 3.33Å; Q515-A517 PolarHBondContact O-N 2.88Å; A517-K521 WeakPolarHBondContact O-CB 3.24Å; A517-K521 PolarHBondContact O-N 2.94Å
518I90.1Very high90.5Very high57 Ų5777.4 Ų77.429%0.29241%0.413SS..Hα-helixtrans-66.7-46.6175.9-68.6166.1000110.7K514 Q515 V516 E520 K521 E522 V626K514-I518 HydrophobicContact CG-CD1 4.11Å; K514-I518 WeakPolarHBondContact O-CG1 3.32Å; K514-I518 PolarHBondContact O-N 3.17Å; K514-I518 VanDerWaalsContact O-N 3.08Å; Q515-I518 PolarHBondContact O-N 2.88Å; V516-I518 VanDerWaalsContact C-N 3.31Å; V516-I518 PolarHBondContact O-N 2.71Å; I518-E520 PolarHBondContact O-N 3.04Å; I518-K521 PolarHBondContact O-N 3.37Å; I518-E522 PolarHBondContact O-N 3.16Å; I518-V626 HydrophobicContact CG2-CG1 4.08Å
519I88.1Confident90.4Very high89 Ų8977.8 Ų77.846%0.45642%0.416SS..Hα-helixtrans-60.8-45.4179.5-68.7168.4000110.7Q515 V516 K521 E522 A523Q515-I519 WeakPolarHBondContact O-CG1 3.36Å; Q515-I519 PolarHBondContact O-N 3.34Å; V516-I519 PolarHBondContact O-N 3.1Å; I519-K521 VanDerWaalsContact C-N 3.34Å; I519-K521 PolarHBondContact O-N 3.44Å; I519-E522 PolarHBondContact O-N 3.01Å; I519-A523 WeakPolarHBondContact O-CB 3.33Å; I519-A523 PolarHBondContact O-N 2.77Å
520E90.2Very high90Very high104 Ų10476 Ų7649%0.48641%0.407SS..Hα-helixtrans-62.7-40.5176.9-75.7-171.7-177.500112.5V516 I518 A523 K524V516-E520 PolarHBondContact O-N 3.1Å; I518-E520 PolarHBondContact O-N 3.04Å; E520-A523 PolarHBondContact O-N 3.38Å; E520-K524 WeakPolarHBondContact O-CG 3.38Å; E520-K524 PolarHBondContact O-N 3.36Å
521K90.4Very high89.7Confident145 Ų14576.2 Ų76.263%0.6341%0.408SS*.Hα-helixtrans-62.8-48.5177.7-175.7-178.2177.2-1760110.9A517 I518 I519 A523 K524 V525A517-K521 WeakPolarHBondContact O-CB 3.24Å; A517-K521 PolarHBondContact O-N 2.94Å; I518-K521 PolarHBondContact O-N 3.37Å; I519-K521 VanDerWaalsContact C-N 3.34Å; I519-K521 PolarHBondContact O-N 3.44Å; K521-A523 PolarHBondContact O-N 3.35Å; K521-K524 PolarHBondContact O-N 2.85Å; K521-V525 WeakPolarHBondContact O-CG2 3.16Å; K521-V525 PolarHBondContact O-N 3.44Å
522E88.3Confident89.5Confident78 Ų7881.5 Ų81.536%0.36443%0.43SS..Hα-helixtrans-63.6-39.7177.8-73.1-63.4140.200111.9I518 I519 K524 V525 A526 V626I518-E522 PolarHBondContact O-N 3.16Å; I519-E522 PolarHBondContact O-N 3.01Å; E522-K524 PolarHBondContact O-N 3.02Å; E522-V525 PolarHBondContact O-N 2.74Å; E522-A526 VanDerWaalsContact O-CB 3.31Å; E522-A526 WeakPolarHBondContact O-CB 3.05Å; E522-A526 PolarHBondContact O-N 2.99Å; E522-V626 HydrophobicContact CG-CG2 4.34Å
523A87.3Confident89.2Confident58 Ų5881.2 Ų81.248%0.47942%0.42SS..Hα-helixtrans-62.2-42.1175.500000112.3I519 E520 K521 A526 A527I519-A523 WeakPolarHBondContact O-CB 3.33Å; I519-A523 PolarHBondContact O-N 2.77Å; E520-A523 PolarHBondContact O-N 3.38Å; K521-A523 PolarHBondContact O-N 3.35Å; A523-A526 PolarHBondContact O-N 2.87Å; A523-A527 WeakPolarHBondContact O-CB 3.28Å; A523-A527 PolarHBondContact O-N 2.91Å
524K90.7Very high88.9Confident145 Ų14578 Ų7863%0.6341%0.407SS*.Hα-helixtrans-64.3-42.9175.8-74.5170.9-176.2167.40111.8E520 K521 E522 A527 A528E520-K524 WeakPolarHBondContact O-CG 3.38Å; E520-K524 PolarHBondContact O-N 3.36Å; K521-K524 PolarHBondContact O-N 2.85Å; E522-K524 PolarHBondContact O-N 3.02Å; K524-A527 PolarHBondContact O-N 2.96Å; K524-A528 WeakPolarHBondContact O-CB 3.49Å; K524-A528 PolarHBondContact O-N 2.93Å
525V89.4Confident88.6Confident65 Ų6579 Ų7939%0.39441%0.414SS..Hα-helixtrans-63.2-47.1176.4172.70000110.6K521 E522 A527 A528 D529K521-V525 WeakPolarHBondContact O-CG2 3.16Å; K521-V525 PolarHBondContact O-N 3.44Å; E522-V525 PolarHBondContact O-N 2.74Å; V525-A527 VanDerWaalsContact C-N 3.34Å; V525-A527 PolarHBondContact O-N 2.82Å; V525-A528 PolarHBondContact O-N 2.85Å; V525-D529 PolarHBondContact O-N 3.12Å
526A87.5Confident88.5Confident21 Ų2184.6 Ų84.617%0.17444%0.439CS..Hα-helixtrans-58.8-43.1177.900000112.4E522 A523 D529 E530 I619E522-A526 VanDerWaalsContact O-CB 3.31Å; E522-A526 WeakPolarHBondContact O-CB 3.05Å; E522-A526 PolarHBondContact O-N 2.99Å; A523-A526 PolarHBondContact O-N 2.87Å; A526-D529 PolarHBondContact O-N 3.09Å; A526-E530 WeakPolarHBondContact O-CB 3.42Å; A526-E530 PolarHBondContact O-N 2.7Å; A526-I619 HydrophobicContact CB-CD1 3.97Å; A526-I619 HydrophobicContact CB-CG1 4.28Å; A526-I619 HydrophobicContact CB-CG2 4.02Å
527A87.4Confident88.2Confident47 Ų4781.2 Ų81.239%0.38842%0.419SS..Hα-helixtrans-66.6-36.5176.900000112.9A523 K524 V525 K531A523-A527 WeakPolarHBondContact O-CB 3.28Å; A523-A527 PolarHBondContact O-N 2.91Å; K524-A527 PolarHBondContact O-N 2.96Å; V525-A527 VanDerWaalsContact C-N 3.34Å; V525-A527 PolarHBondContact O-N 2.82Å; A527-K531 WeakPolarHBondContact O-CG 3.23Å; A527-K531 PolarHBondContact O-N 2.86Å
528A88.9Confident88Confident44 Ų4483 Ų8336%0.36442%0.42SS..Hα-helixtrans-68.3-43.2175.800000111.8K524 V525 E530 K531 K532K524-A528 WeakPolarHBondContact O-CB 3.49Å; K524-A528 PolarHBondContact O-N 2.93Å; V525-A528 PolarHBondContact O-N 2.85Å; A528-E530 VanDerWaalsContact C-N 3.34Å; A528-K531 PolarHBondContact O-N 3.34Å; A528-K532 WeakPolarHBondContact O-CG 3.43Å; A528-K532 PolarHBondContact O-N 3.02Å; A528-K532 VanDerWaalsContact O-N 3.11Å
529D87.3Confident87.9Confident66 Ų6683.3 Ų83.335%0.35343%0.431SS..Hα-helixtrans-66-36.6176.4-73.9-12000111.6V525 A526 K532 F533 F615V525-D529 PolarHBondContact O-N 3.12Å; A526-D529 PolarHBondContact O-N 3.09Å; D529-K532 PolarHBondContact O-N 2.82Å; D529-F533 VanDerWaalsContact O-CB 3.28Å; D529-F533 WeakPolarHBondContact O-CB 3.3Å; D529-F533 PolarHBondContact O-N 2.8Å; D529-F615 HydrophobicContact CB-CE2 4.44Å; D529-F615 HydrophobicContact CB-CZ 3.91Å
530E85.9Confident87.8Confident60 Ų6083.4 Ų83.428%0.2843%0.43SS..Hα-helixtrans-60-46.9174.4-168.3170.5-169.700111.5A526 A528 F533 Q534 F615A526-E530 WeakPolarHBondContact O-CB 3.42Å; A526-E530 PolarHBondContact O-N 2.7Å; A528-E530 VanDerWaalsContact C-N 3.34Å; E530-F533 PolarHBondContact O-N 2.8Å; E530-Q534 HydrophobicContact CG-CG 4.49Å; E530-Q534 WeakPolarHBondContact O-CB 3.4Å; E530-Q534 VanDerWaalsContact O-CG 3.28Å; E530-Q534 WeakPolarHBondContact O-CG 3.24Å; E530-Q534 PolarHBondContact O-N 3.15Å; E530-Q534 PolarHBondContact OE1-NE2 2.94Å; E530-F615 VanDerWaalsContact CA-CE1 3.42Å; E530-F615 HydrophobicContact CB-CE1 3.6Å; E530-F615 HydrophobicContact CB-CZ 4.26Å; E530-F615 HydrophobicContact CG-CD1 4.31Å; E530-F615 HydrophobicContact CG-CE1 3.87Å
531K87.8Confident87.7Confident143 Ų14379.8 Ų79.862%0.62241%0.413SS*.Hα-helixtrans-62-44.7177.9-73.9179.6-179.6-177.90112A527 A528 Q534 Q535A527-K531 WeakPolarHBondContact O-CG 3.23Å; A527-K531 PolarHBondContact O-N 2.86Å; A528-K531 PolarHBondContact O-N 3.34Å; K531-Q534 PolarHBondContact O-N 2.74Å; K531-Q535 WeakPolarHBondContact O-CB 3.3Å; K531-Q535 WeakPolarHBondContact O-CG 3.45Å; K531-Q535 PolarHBondContact O-N 2.72Å
532K87.6Confident87.6Confident137 Ų13780.1 Ų80.160%0.59641%0.414SS*.Hα-helixtrans-61.4-44.8177.2-73.2176.9-178.1174.20111.5A528 D529 Q535 Q536A528-K532 WeakPolarHBondContact O-CG 3.43Å; A528-K532 PolarHBondContact O-N 3.02Å; A528-K532 VanDerWaalsContact O-N 3.11Å; D529-K532 PolarHBondContact O-N 2.82Å; K532-Q535 PolarHBondContact O-N 3.34Å; K532-Q536 WeakPolarHBondContact O-CB 3.15Å; K532-Q536 PolarHBondContact O-N 2.86Å
533F85.6Confident87.7Confident42 Ų4282.5 Ų82.518%0.18442%0.423CS..Hα-helixtrans-62.4-46.7178.3-179.6-107.4000112.2D529 E530 Q535 Q536 I537 N611 F615D529-F533 VanDerWaalsContact O-CB 3.28Å; D529-F533 WeakPolarHBondContact O-CB 3.3Å; D529-F533 PolarHBondContact O-N 2.8Å; E530-F533 PolarHBondContact O-N 2.8Å; F533-Q535 PolarHBondContact O-N 3.2Å; F533-Q536 PolarHBondContact O-N 2.72Å; F533-I537 HydrophobicContact CD1-CD1 3.94Å; F533-I537 HydrophobicContact CD2-CD1 4.48Å; F533-I537 HydrophobicContact CE1-CD1 3.47Å; F533-I537 VanDerWaalsContact CE1-CD1 3.47Å; F533-I537 HydrophobicContact CE2-CD1 4.07Å; F533-I537 HydrophobicContact CG-CD1 4.46Å; F533-I537 HydrophobicContact CZ-CD1 3.6Å; F533-I537 PolarHBondContact O-N 3.03Å; F533-I537 VanDerWaalsContact O-N 3.1Å; F533-N611 HydrophobicContact CE1-CB 4.14Å; F533-N611 HydrophobicContact CZ-CB 3.71Å; F533-F615 HydrophobicContact CB-CD2 4.5Å; F533-F615 HydrophobicContact CB-CE2 4.35Å; F533-F615 HydrophobicContact CD1-CB 4.15Å; F533-F615 HydrophobicContact CD1-CD1 4.43Å; F533-F615 HydrophobicContact CD1-CD2 4.24Å; F533-F615 HydrophobicContact CD1-CG 4.02Å; F533-F615 HydrophobicContact CD2-CD2 4.38Å; F533-F615 HydrophobicContact CE1-CB 3.75Å; F533-F615 HydrophobicContact CE1-CD2 4.47Å; F533-F615 HydrophobicContact CE1-CG 4.13Å; F533-F615 HydrophobicContact CG-CD2 4.14Å; F533-F615 HydrophobicContact CG-CE2 4.46Å; F533-F615 HydrophobicContact CG-CG 4.38Å; F533-F615 HydrophobicContact CZ-CB 4.1Å
534Q85.7Confident87.6Confident59 Ų5982.9 Ų82.928%0.27642%0.417SS..Hα-helixtrans-60.7-44.3176.1-72.4176.80.500111.7E530 K531 Q536 I537 L538 Y608E530-Q534 HydrophobicContact CG-CG 4.49Å; E530-Q534 WeakPolarHBondContact O-CB 3.4Å; E530-Q534 VanDerWaalsContact O-CG 3.28Å; E530-Q534 WeakPolarHBondContact O-CG 3.24Å; E530-Q534 PolarHBondContact O-N 3.15Å; E530-Q534 PolarHBondContact OE1-NE2 2.94Å; K531-Q534 PolarHBondContact O-N 2.74Å; Q534-Q536 PolarHBondContact O-N 3.38Å; Q534-I537 PolarHBondContact O-N 2.55Å; Q534-L538 WeakPolarHBondContact O-CB 3.4Å; Q534-L538 VanDerWaalsContact O-CG 3.3Å; Q534-L538 WeakPolarHBondContact O-CG 3.38Å; Q534-L538 PolarHBondContact O-N 3.41Å; Q534-Y608 HydrophobicContact CG-CE2 4.44Å
535Q88.3Confident87.5Confident134 Ų13478 Ų7863%0.62640%0.397SS*.Hα-helixtrans-62.1-40.7176.6-77.1178.3-3.400112.4K531 K532 F533 L538 A539K531-Q535 WeakPolarHBondContact O-CB 3.3Å; K531-Q535 WeakPolarHBondContact O-CG 3.45Å; K531-Q535 PolarHBondContact O-N 2.72Å; K532-Q535 PolarHBondContact O-N 3.34Å; F533-Q535 PolarHBondContact O-N 3.2Å; Q535-L538 PolarHBondContact O-N 2.98Å; Q535-A539 VanDerWaalsContact O-CB 3.27Å; Q535-A539 WeakPolarHBondContact O-CB 3.29Å; Q535-A539 PolarHBondContact O-N 3.05Å
536Q88.3Confident87.3Confident144 Ų14478 Ų7867%0.67340%0.398SS*.Hα-helixtrans-64.9-42.9179.2-171177.44.900112K532 F533 Q534 A539 Q540K532-Q536 WeakPolarHBondContact O-CB 3.15Å; K532-Q536 PolarHBondContact O-N 2.86Å; F533-Q536 PolarHBondContact O-N 2.72Å; Q534-Q536 PolarHBondContact O-N 3.38Å; Q536-A539 PolarHBondContact O-N 3.44Å; Q536-Q540 WeakPolarHBondContact O-CB 3.4Å; Q536-Q540 PolarHBondContact O-N 3.43Å
537I86.6Confident87.3Confident12 Ų1280.7 Ų80.76%0.06241%0.412CS..Hα-helixtrans-65.7-45.3176.6-63.4171.2000110.6F533 Q534 A539 Q540 Q541 Y607 Y608 N611F533-I537 HydrophobicContact CD1-CD1 3.94Å; F533-I537 HydrophobicContact CD2-CD1 4.48Å; F533-I537 HydrophobicContact CE1-CD1 3.47Å; F533-I537 VanDerWaalsContact CE1-CD1 3.47Å; F533-I537 HydrophobicContact CE2-CD1 4.07Å; F533-I537 HydrophobicContact CG-CD1 4.46Å; F533-I537 HydrophobicContact CZ-CD1 3.6Å; F533-I537 PolarHBondContact O-N 3.03Å; F533-I537 VanDerWaalsContact O-N 3.1Å; Q534-I537 PolarHBondContact O-N 2.55Å; I537-A539 VanDerWaalsContact C-N 3.33Å; I537-A539 PolarHBondContact O-N 2.95Å; I537-Q540 PolarHBondContact O-N 3.27Å; I537-Q541 HydrophobicContact CG2-CG 4.15Å; I537-Q541 WeakPolarHBondContact O-CB 3.4Å; I537-Q541 VanDerWaalsContact O-CG 3.29Å; I537-Q541 WeakPolarHBondContact O-CG 3.47Å; I537-Q541 PolarHBondContact O-N 3.47Å; I537-Y607 HydrophobicContact CG2-CD1 4.34Å; I537-Y607 HydrophobicContact CG2-CE1 4.4Å; I537-Y608 HydrophobicContact CB-CD2 4.24Å; I537-Y608 HydrophobicContact CD1-CD2 4.34Å; I537-Y608 HydrophobicContact CG2-CD2 3.74Å; I537-N611 HydrophobicContact CD1-CB 3.82Å
538L86.9Confident87.3Confident94 Ų9481.1 Ų81.149%0.49241%0.405SS..Hα-helixtrans-62.3-40.4178.2-72.9170.2000112.1Q534 Q535 Q541 K542Q534-L538 WeakPolarHBondContact O-CB 3.4Å; Q534-L538 VanDerWaalsContact O-CG 3.3Å; Q534-L538 WeakPolarHBondContact O-CG 3.38Å; Q534-L538 PolarHBondContact O-N 3.41Å; Q535-L538 PolarHBondContact O-N 2.98Å; L538-Q541 PolarHBondContact O-N 3.15Å; L538-K542 WeakPolarHBondContact O-CB 3.38Å; L538-K542 PolarHBondContact O-N 3.4Å
539A87.8Confident87.1Confident63 Ų6381.4 Ų81.452%0.52140%0.401SS..Hα-helixtrans-63.5-41.4175.600000111.9Q535 Q536 I537 K543Q535-A539 VanDerWaalsContact O-CB 3.27Å; Q535-A539 WeakPolarHBondContact O-CB 3.29Å; Q535-A539 PolarHBondContact O-N 3.05Å; Q536-A539 PolarHBondContact O-N 3.44Å; I537-A539 VanDerWaalsContact C-N 3.33Å; I537-A539 PolarHBondContact O-N 2.95Å; A539-K543 WeakPolarHBondContact O-CB 3.48Å; A539-K543 PolarHBondContact O-N 3.25Å
540Q86.8Confident87Confident91 Ų9184.7 Ų84.743%0.42541%0.414SS..Hα-helixtrans-66.9-46.8176.4-173.360.245.900111.7Q536 I537 K542 K543 D544Q536-Q540 WeakPolarHBondContact O-CB 3.4Å; Q536-Q540 PolarHBondContact O-N 3.43Å; I537-Q540 PolarHBondContact O-N 3.27Å; Q540-K542 VanDerWaalsContact C-N 3.3Å; Q540-K542 PolarHBondContact O-N 3.35Å; Q540-K543 WeakPolarHBondContact O-CB 3.35Å; Q540-K543 PolarHBondContact O-N 3.12Å; Q540-K543 VanDerWaalsContact O-N 3.13Å; Q540-D544 PolarHBondContact NE2-OD1 3.24Å; Q540-D544 PolarHBondContact NE2-OD2 2.86Å; Q540-D544 VanDerWaalsContact O-CG 3.24Å; Q540-D544 PolarHBondContact O-N 2.97Å
541Q88.1Confident86.8Confident28 Ų2884.9 Ų84.913%0.13142%0.422CS..Hα-helixtrans-57.2-43.5175.5-75.7176.7-18.100112I537 L538 D544 L545 Q604I537-Q541 HydrophobicContact CG2-CG 4.15Å; I537-Q541 WeakPolarHBondContact O-CB 3.4Å; I537-Q541 VanDerWaalsContact O-CG 3.29Å; I537-Q541 WeakPolarHBondContact O-CG 3.47Å; I537-Q541 PolarHBondContact O-N 3.47Å; L538-Q541 PolarHBondContact O-N 3.15Å; Q541-D544 PolarHBondContact O-N 3.02Å; Q541-L545 VanDerWaalsContact O-CB 3.27Å; Q541-L545 WeakPolarHBondContact O-CB 3.35Å; Q541-L545 PolarHBondContact O-N 3.37Å; Q541-Q604 HydrophobicContact CB-CG 4.4Å; Q541-Q604 HydrophobicContact CG-CB 3.94Å; Q541-Q604 HydrophobicContact CG-CG 3.9Å; Q541-Q604 PolarHBondContact NE2-O 2.93Å; Q541-Q604 PolarHBondContact O-NE2 3.01Å
542K88.2Confident86.5Confident152 Ų15279.4 Ų79.466%0.66140%0.398SS*.Hα-helixtrans-61.6-46.3175.4-174.8178.8180-179.40111.2L538 Q540 L545 T546L538-K542 WeakPolarHBondContact O-CB 3.38Å; L538-K542 PolarHBondContact O-N 3.4Å; Q540-K542 VanDerWaalsContact C-N 3.3Å; Q540-K542 PolarHBondContact O-N 3.35Å; K542-L545 PolarHBondContact O-N 3.49Å; K542-T546 PolarHBondContact O-N 3.5Å; K542-T546 PolarHBondContact O-OG1 3Å
543K89.3Confident86.2Confident128 Ų12880.1 Ų80.156%0.55740%0.402SS*.Hα-helixtrans-60.1-46.9178.1-177.4-177.8176.2-176.60111.6A539 Q540 T546 T547A539-K543 WeakPolarHBondContact O-CB 3.48Å; A539-K543 PolarHBondContact O-N 3.25Å; Q540-K543 WeakPolarHBondContact O-CB 3.35Å; Q540-K543 PolarHBondContact O-N 3.12Å; Q540-K543 VanDerWaalsContact O-N 3.13Å; K543-T546 WeakPolarHBondContact CA-OG1 3.42Å; K543-T546 PolarHBondContact O-N 2.86Å; K543-T546 PolarHBondContact O-OG1 3.33Å; K543-T547 WeakPolarHBondContact O-CB 3.47Å; K543-T547 PolarHBondContact O-N 2.87Å; K543-T547 PolarHBondContact O-OG1 3.48Å
544D85.8Confident86Confident65 Ų6585.3 Ų85.335%0.34842%0.424SS..Hα-helixtrans-64.9-41.2179.5-65.4-19.6000111Q540 Q541 T547 F548Q540-D544 PolarHBondContact NE2-OD1 3.24Å; Q540-D544 PolarHBondContact NE2-OD2 2.86Å; Q540-D544 VanDerWaalsContact O-CG 3.24Å; Q540-D544 PolarHBondContact O-N 2.97Å; Q541-D544 PolarHBondContact O-N 3.02Å; D544-T547 PolarHBondContact O-N 2.98Å; D544-F548 VanDerWaalsContact O-CB 3.24Å; D544-F548 WeakPolarHBondContact O-CB 3.49Å; D544-F548 PolarHBondContact O-N 2.83Å
545L87.6Confident85.4Confident42 Ų4287.4 Ų87.422%0.2243%0.434CS..Hα-helixtrans-63.1-45.6175.2-175.764.6000111.6Q541 K542 T547 F548 L549 E597 L600 L601Q541-L545 VanDerWaalsContact O-CB 3.27Å; Q541-L545 WeakPolarHBondContact O-CB 3.35Å; Q541-L545 PolarHBondContact O-N 3.37Å; K542-L545 PolarHBondContact O-N 3.49Å; L545-T547 PolarHBondContact O-N 3.5Å; L545-F548 PolarHBondContact O-N 3.49Å; L545-L549 HydrophobicContact CD1-CD1 4.43Å; L545-L549 HydrophobicContact CD1-CG 4.45Å; L545-L549 HydrophobicContact CG-CD1 4.14Å; L545-L549 WeakPolarHBondContact O-CB 3.4Å; L545-L549 VanDerWaalsContact O-CG 3.26Å; L545-L549 WeakPolarHBondContact O-CG 3.46Å; L545-L549 PolarHBondContact O-N 3.06Å; L545-E597 HydrophobicContact CD1-CG 4.37Å; L545-L600 HydrophobicContact CD1-CD2 4.27Å; L545-L601 HydrophobicContact CD1-CD2 4.37Å; L545-L601 HydrophobicContact CD2-CD2 4.39Å
546T86.9Confident84.9Confident66 Ų6684.1 Ų84.141%0.40542%0.416SS..Hα-helixtrans-61.4-43.5175.131.10000112.5K542 K543 F548 L549 E550K542-T546 PolarHBondContact O-N 3.5Å; K542-T546 PolarHBondContact O-OG1 3Å; K543-T546 WeakPolarHBondContact CA-OG1 3.42Å; K543-T546 PolarHBondContact O-N 2.86Å; K543-T546 PolarHBondContact O-OG1 3.33Å; T546-F548 VanDerWaalsContact C-N 3.33Å; T546-F548 PolarHBondContact O-N 2.9Å; T546-L549 PolarHBondContact O-N 3.32Å; T546-E550 WeakPolarHBondContact O-CG 3.32Å; T546-E550 PolarHBondContact O-N 2.89Å
547T86.3Confident84.3Confident78 Ų7883.7 Ų83.748%0.47941%0.412SS..Hα-helixtrans-65.4-39.7179.4-510000110.8K543 D544 L545 E550 S551K543-T547 WeakPolarHBondContact O-CB 3.47Å; K543-T547 PolarHBondContact O-N 2.87Å; K543-T547 PolarHBondContact O-OG1 3.48Å; D544-T547 PolarHBondContact O-N 2.98Å; L545-T547 PolarHBondContact O-N 3.5Å; T547-E550 PolarHBondContact O-N 3.1Å; T547-S551 WeakPolarHBondContact O-CB 3.45Å; T547-S551 PolarHBondContact O-N 2.83Å
548F87.6Confident83.8Confident55 Ų5586.3 Ų86.324%0.24143%0.426CS..Hα-helixtrans-63.1-48.9175.4-179.7-98.9000111.7D544 L545 T546 E550 S551 Q552 E596 E597 L600D544-F548 VanDerWaalsContact O-CB 3.24Å; D544-F548 WeakPolarHBondContact O-CB 3.49Å; D544-F548 PolarHBondContact O-N 2.83Å; L545-F548 PolarHBondContact O-N 3.49Å; T546-F548 VanDerWaalsContact C-N 3.33Å; T546-F548 PolarHBondContact O-N 2.9Å; F548-E550 VanDerWaalsContact C-N 3.33Å; F548-E550 PolarHBondContact O-N 3Å; F548-S551 WeakPolarHBondContact O-CB 3.45Å; F548-S551 PolarHBondContact O-N 2.87Å; F548-Q552 WeakPolarHBondContact O-CB 3.36Å; F548-Q552 PolarHBondContact O-N 3.39Å; F548-E596 HydrophobicContact CZ-CB 3.79Å; F548-E597 HydrophobicContact CE1-CB 4.2Å; F548-L600 HydrophobicContact CB-CD2 3.6Å; F548-L600 HydrophobicContact CD1-CD2 3.77Å; F548-L600 HydrophobicContact CD2-CD2 4.02Å; F548-L600 HydrophobicContact CG-CD2 3.51Å
549L84.6Confident83.1Confident51 Ų5184.1 Ų84.127%0.26742%0.418SS..Hα-helixtrans-62.5-37.3177.7-70.2172.1000112.6L545 T546 K553L545-L549 HydrophobicContact CD1-CD1 4.43Å; L545-L549 HydrophobicContact CD1-CG 4.45Å; L545-L549 HydrophobicContact CG-CD1 4.14Å; L545-L549 WeakPolarHBondContact O-CB 3.4Å; L545-L549 VanDerWaalsContact O-CG 3.26Å; L545-L549 WeakPolarHBondContact O-CG 3.46Å; L545-L549 PolarHBondContact O-N 3.06Å; T546-L549 PolarHBondContact O-N 3.32Å; L549-K553 WeakPolarHBondContact O-CG 3.35Å; L549-K553 PolarHBondContact O-N 2.97Å
550E84.8Confident82.2Confident134 Ų13487.1 Ų87.163%0.62642%0.419SS*.Hα-helixtrans-66.3-43.4173.7-77177.8-177.200112.3T546 T547 F548 K553 K554T546-E550 WeakPolarHBondContact O-CG 3.32Å; T546-E550 PolarHBondContact O-N 2.89Å; T547-E550 PolarHBondContact O-N 3.1Å; F548-E550 VanDerWaalsContact C-N 3.33Å; F548-E550 PolarHBondContact O-N 3Å; E550-K553 PolarHBondContact O-N 2.86Å; E550-K554 PolarHBondContact O-N 2.98Å
551S82.9Confident81.4Confident64 Ų6487.8 Ų87.845%0.44842%0.422SS..Hα-helixtrans-61.1-44.3174.1-173.40000111.3T547 F548 K553 K554 Q555T547-S551 WeakPolarHBondContact O-CB 3.45Å; T547-S551 PolarHBondContact O-N 2.83Å; F548-S551 WeakPolarHBondContact O-CB 3.45Å; F548-S551 PolarHBondContact O-N 2.87Å; S551-K553 PolarHBondContact O-N 3.21Å; S551-K554 WeakPolarHBondContact O-CB 3.41Å; S551-K554 PolarHBondContact O-N 3.29Å; S551-K554 VanDerWaalsContact O-N 3.13Å; S551-Q555 WeakPolarHBondContact O-CG 3.28Å; S551-Q555 PolarHBondContact O-N 3.33Å
552Q81.4Confident80.4Confident28 Ų2892.2 Ų92.213%0.13144%0.441CS..Hα-helixtrans-62.1-42.4178.1-166.5-170.869.900111.8F548 K554 Q555 Y556 Q593F548-Q552 WeakPolarHBondContact O-CB 3.36Å; F548-Q552 PolarHBondContact O-N 3.39Å; Q552-K554 VanDerWaalsContact C-N 3.34Å; Q552-K554 PolarHBondContact O-N 3.43Å; Q552-Q555 PolarHBondContact O-N 3.25Å; Q552-Y556 VanDerWaalsContact O-CB 3.28Å; Q552-Y556 WeakPolarHBondContact O-CB 3.39Å; Q552-Y556 PolarHBondContact O-N 3.07Å; Q552-Q593 HydrophobicContact CG-CB 4.27Å; Q552-Q593 HydrophobicContact CG-CG 3.61Å; Q552-Q593 PolarHBondContact NE2-O 2.84Å
553K81.3Confident79.3Confident153 Ų15386.8 Ų86.867%0.66542%0.419SS*.Hα-helixtrans-61.4-40.2172.7-76.4174.6-177.6177.10112.4L549 E550 S551 K557L549-K553 WeakPolarHBondContact O-CG 3.35Å; L549-K553 PolarHBondContact O-N 2.97Å; E550-K553 PolarHBondContact O-N 2.86Å; S551-K553 PolarHBondContact O-N 3.21Å; K553-K557 PolarHBondContact O-N 2.97Å
554K81Confident78.1Confident150 Ų15088 Ų8865%0.65242%0.424SS*.Hα-helixtrans-67.3-45.3177.7-170.9179.3179.3-178.30111.5E550 S551 Q552 K557 I558E550-K554 PolarHBondContact O-N 2.98Å; S551-K554 WeakPolarHBondContact O-CB 3.41Å; S551-K554 PolarHBondContact O-N 3.29Å; S551-K554 VanDerWaalsContact O-N 3.13Å; Q552-K554 VanDerWaalsContact C-N 3.34Å; Q552-K554 PolarHBondContact O-N 3.43Å; K554-K557 WeakPolarHBondContact O-CB 3.42Å; K554-K557 PolarHBondContact O-N 3.31Å; K554-I558 HydrophobicContact CG-CD1 4.36Å; K554-I558 WeakPolarHBondContact O-CG1 3.43Å; K554-I558 PolarHBondContact O-N 3.2Å; K554-I558 VanDerWaalsContact O-N 3.09Å
555Q74.1Confident77Confident103 Ų10391 Ų9148%0.48144%0.436SS..Hα-helixtrans-63.1-43.1175-70.4-66.1-1100111.6S551 Q552 K557 I558 C559S551-Q555 WeakPolarHBondContact O-CG 3.28Å; S551-Q555 PolarHBondContact O-N 3.33Å; Q552-Q555 PolarHBondContact O-N 3.25Å; Q555-K557 VanDerWaalsContact C-N 3.26Å; Q555-K557 PolarHBondContact O-N 2.99Å; Q555-I558 PolarHBondContact O-N 2.9Å; Q555-C559 WeakPolarHBondContact O-CB 3.28Å; Q555-C559 PolarHBondContact O-N 2.99Å
556Y76.1Confident75.8Confident66 Ų6695.4 Ų95.426%0.25946%0.455SS..Hα-helixtrans-56.4-41.8173.7-177-96.1000111.6Q552 K560 L589Q552-Y556 VanDerWaalsContact O-CB 3.28Å; Q552-Y556 WeakPolarHBondContact O-CB 3.39Å; Q552-Y556 PolarHBondContact O-N 3.07Å; Y556-K560 HydrophobicContact CE1-CD 4.12Å; Y556-K560 WeakPolarHBondContact O-CB 3.49Å; Y556-K560 PolarHBondContact O-N 3.12Å; Y556-L589 HydrophobicContact CD2-CD2 3.43Å; Y556-L589 VanDerWaalsContact CD2-CD2 3.43Å; Y556-L589 HydrophobicContact CD2-CG 4.16Å; Y556-L589 HydrophobicContact CE2-CD2 3.7Å; Y556-L589 HydrophobicContact CE2-CG 4.48Å
557K76.7Confident74.4Confident135 Ų13594.3 Ų94.359%0.58745%0.446SS*.Hα-helixtrans-64-44.7177-166.7179.6178.8-174.50112.1K553 K554 Q555 K560 E561K553-K557 PolarHBondContact O-N 2.97Å; K554-K557 WeakPolarHBondContact O-CB 3.42Å; K554-K557 PolarHBondContact O-N 3.31Å; Q555-K557 VanDerWaalsContact C-N 3.26Å; Q555-K557 PolarHBondContact O-N 2.99Å; K557-K560 PolarHBondContact O-N 2.88Å; K557-E561 WeakPolarHBondContact O-CG 3.41Å; K557-E561 PolarHBondContact O-N 3.18Å
558I76.4Confident73.1Confident67 Ų6796.5 Ų96.534%0.34446%0.455SS..Hα-helixtrans-67.5-47.9179.1-65.1166.5000111.4K554 Q555 K560 E561 K562K554-I558 HydrophobicContact CG-CD1 4.36Å; K554-I558 WeakPolarHBondContact O-CG1 3.43Å; K554-I558 PolarHBondContact O-N 3.2Å; K554-I558 VanDerWaalsContact O-N 3.09Å; Q555-I558 PolarHBondContact O-N 2.9Å; I558-K560 VanDerWaalsContact C-N 3.32Å; I558-K560 PolarHBondContact O-N 3.46Å; I558-E561 PolarHBondContact O-N 3.09Å; I558-K562 PolarHBondContact O-N 3.44Å
559C70.9Confident71.6Confident48 Ų48102 Ų10232%0.32448%0.481SS..Hα-helixtrans-60.7-42.4175.3-83.50000111.2Q555 E561 K562 I563Q555-C559 WeakPolarHBondContact O-CB 3.28Å; Q555-C559 PolarHBondContact O-N 2.99Å; C559-E561 VanDerWaalsContact C-N 3.29Å; C559-E561 PolarHBondContact O-N 3.31Å; C559-K562 PolarHBondContact O-N 3.4Å; C559-I563 WeakPolarHBondContact O-CB 3.45Å; C559-I563 VanDerWaalsContact O-CD1 3.23Å; C559-I563 WeakPolarHBondContact O-CD1 3.43Å; C559-I563 WeakPolarHBondContact O-CG1 3.49Å; C559-I563 PolarHBondContact O-N 3Å
560K69.8Low70.1Confident125 Ų125102.3 Ų102.354%0.54348%0.483SS..Hα-helixtrans-60.3-37.5175.2-178.2-178.6177.5-1760112.4Y556 K557 I558 K564Y556-K560 HydrophobicContact CE1-CD 4.12Å; Y556-K560 WeakPolarHBondContact O-CB 3.49Å; Y556-K560 PolarHBondContact O-N 3.12Å; K557-K560 PolarHBondContact O-N 2.88Å; I558-K560 VanDerWaalsContact C-N 3.32Å; I558-K560 PolarHBondContact O-N 3.46Å; K560-K564 WeakPolarHBondContact O-CB 3.27Å; K560-K564 PolarHBondContact O-N 2.6Å
561E69.7Low68.6Low106 Ų106104.5 Ų104.550%0.49549%0.493SS..Hα-helixtrans-71-46.3175.3-77.7179.2177.400112.1K557 I558 C559 I563 K564 E565K557-E561 WeakPolarHBondContact O-CG 3.41Å; K557-E561 PolarHBondContact O-N 3.18Å; I558-E561 PolarHBondContact O-N 3.09Å; C559-E561 VanDerWaalsContact C-N 3.29Å; C559-E561 PolarHBondContact O-N 3.31Å; E561-I563 PolarHBondContact O-N 3.3Å; E561-K564 CarbonylContact O-C 3.59Å; E561-K564 WeakPolarHBondContact O-CA 3.11Å; E561-K564 VanDerWaalsContact O-CB 3.23Å; E561-K564 WeakPolarHBondContact O-CB 3.49Å; E561-K564 PolarHBondContact O-N 3.46Å; E561-E565 PolarHBondContact O-N 2.91Å
562K67.1Low67.3Low121 Ų121106.4 Ų106.453%0.52651%0.507SS..Hα-helixtrans-58.7-42.2174.8-77.2-173.6174.3-172.80113.4I558 C559 K564 E565 E566I558-K562 PolarHBondContact O-N 3.44Å; C559-K562 PolarHBondContact O-N 3.4Å; K562-K564 VanDerWaalsContact C-N 3.25Å; K562-K564 PolarHBondContact O-N 2.96Å; K562-E565 PolarHBondContact O-N 3.26Å; K562-E566 WeakPolarHBondContact O-CB 3.47Å; K562-E566 WeakPolarHBondContact O-CG 3.48Å; K562-E566 PolarHBondContact O-N 3.04Å
563I66Low65.8Low38 Ų38107 Ų10720%0.19551%0.512CS..Hα-helixtrans-65.5-33.7175.6-65.7158.5000110.4C559 E561 E565 M567 H585C559-I563 WeakPolarHBondContact O-CB 3.45Å; C559-I563 VanDerWaalsContact O-CD1 3.23Å; C559-I563 WeakPolarHBondContact O-CD1 3.43Å; C559-I563 WeakPolarHBondContact O-CG1 3.49Å; C559-I563 PolarHBondContact O-N 3Å; E561-I563 PolarHBondContact O-N 3.3Å; I563-E565 VanDerWaalsContact C-N 3.34Å; I563-M567 HydrophobicContact CG2-CG 4.42Å; I563-M567 HydrophobicContact CG2-SD 3.89Å; I563-M567 VanDerWaalsContact O-CB 3.25Å; I563-M567 WeakPolarHBondContact O-CB 3.27Å; I563-M567 WeakPolarHBondContact O-CG 3.44Å; I563-M567 PolarHBondContact O-N 3.35Å; I563-H585 WeakPolarHBondContact CD1-CD2 3.34Å; I563-H585 WeakPolarHBondContact CD1-NE2 3.47Å
564K62.7Low64.7Low152 Ų152103.7 Ų103.766%0.66151%0.506SS*.Hα-helixtrans-68.4-35174.9-137.8-179.6-178.9-168.50111.8K560 E561 K562 N568K560-K564 WeakPolarHBondContact O-CB 3.27Å; K560-K564 PolarHBondContact O-N 2.6Å; E561-K564 CarbonylContact O-C 3.59Å; E561-K564 WeakPolarHBondContact O-CA 3.11Å; E561-K564 VanDerWaalsContact O-CB 3.23Å; E561-K564 WeakPolarHBondContact O-CB 3.49Å; E561-K564 PolarHBondContact O-N 3.46Å; K562-K564 VanDerWaalsContact C-N 3.25Å; K562-K564 PolarHBondContact O-N 2.96Å; K564-N568 PolarHBondContact O-N 3.47Å
565E64.3Low63.5Low130 Ų130105.7 Ų105.761%0.60752%0.515SS*.Hα-helixtrans-73.4-52.5175.8-73.6175165.100112.2E561 K562 I563 M567 N568 E569E561-E565 PolarHBondContact O-N 2.91Å; K562-E565 PolarHBondContact O-N 3.26Å; I563-E565 VanDerWaalsContact C-N 3.34Å; E565-M567 PolarHBondContact O-N 3.49Å; E565-M567 VanDerWaalsContact O-N 3.13Å; E565-N568 WeakPolarHBondContact O-CB 3.2Å; E565-N568 PolarHBondContact O-N 2.87Å; E565-E569 PolarHBondContact O-N 3.49Å
566E62.3Low62.9Low133 Ų133109.7 Ų109.762%0.62153%0.531SS*.Hα-helixtrans-56.2-31.6176.3-75177.1179.800112.1K562K562-E566 WeakPolarHBondContact O-CB 3.47Å; K562-E566 WeakPolarHBondContact O-CG 3.48Å; K562-E566 PolarHBondContact O-N 3.04Å
567M56.1Low62.2Low43 Ų43111 Ų11121%0.21254%0.539CS..Hα-helixtrans-84.1-14.7177.9-68.1-172.580.900114.7I563 E565 K578 I582I563-M567 HydrophobicContact CG2-CG 4.42Å; I563-M567 HydrophobicContact CG2-SD 3.89Å; I563-M567 VanDerWaalsContact O-CB 3.25Å; I563-M567 WeakPolarHBondContact O-CB 3.27Å; I563-M567 WeakPolarHBondContact O-CG 3.44Å; I563-M567 PolarHBondContact O-N 3.35Å; E565-M567 PolarHBondContact O-N 3.49Å; E565-M567 VanDerWaalsContact O-N 3.13Å; M567-K578 HydrophobicContact CE-CB 4.22Å; M567-K578 HydrophobicContact CE-CD 3.86Å; M567-K578 VanDerWaalsContact CE-CE 3.45Å; M567-K578 HydrophobicContact CE-CG 3.03Å; M567-K578 WeakPolarHBondContact O-CE 3.28Å; M567-K578 PolarHBondContact O-NZ 3.14Å; M567-I582 HydrophobicContact CE-CD1 3.84Å; M567-I582 HydrophobicContact CE-CG1 3.93Å; M567-I582 HydrophobicContact SD-CD1 3.86Å; M567-I582 HydrophobicContact SD-CG1 3.69Å
568N59Low61.3Low125 Ų125107.2 Ų107.267%0.66852%0.523SS*.Hα-helixtrans-80.3-20.5171-92.3-10.2000112.1K564 E565 H571K564-N568 PolarHBondContact O-N 3.47Å; E565-N568 WeakPolarHBondContact O-CB 3.2Å; E565-N568 PolarHBondContact O-N 2.87Å; N568-H571 PolarHBondContact O-CE1 3.13Å
569E56.2Low60.7Low170 Ų170110.4 Ų110.479%0.79454%0.536SS*.Hα-helixtrans-85.5-18177.8-66.3-167.4161.500114.2E565E565-E569 PolarHBondContact O-N 3.49Å
570D53.4Low60.5Low57 Ų57114.7 Ų114.731%0.30555%0.551SS.*  trans-95.4100.6179-171.210.4000112.4S572 T573 K578D570-S572 PolarHBondContact OD1-N 2.98Å; D570-S572 PolarHBondContact OD1-OG 3.08Å; D570-S572 VanDerWaalsContact OD1-OG 3.05Å; D570-T573 WeakPolarHBondContact OD2-CG2 3.35Å; D570-T573 PolarHBondContact OD2-OG1 2.92Å; D570-K578 PolarHBondContact O-NZ 3.18Å
571H53.6Low60.3Low181 Ų181115.2 Ų115.284%0.83855%0.55SS*.  trans-87.84.9179.6-69-26.7000114.8N568N568-H571 PolarHBondContact O-CE1 3.13Å
572S55.2Low60.1Low104 Ų104113.5 Ų113.573%0.72754%0.543SS*.SBendtrans-113.8-3.7-171.173.50000116.6D570D570-S572 PolarHBondContact OD1-N 2.98Å; D570-S572 PolarHBondContact OD1-OG 3.08Å; D570-S572 VanDerWaalsContact OD1-OG 3.05Å
573T50.5Low60.2Low39 Ų39111 Ų11124%0.23954%0.541CS..SBendtrans-102.6134.2-173.233.60000115.2D570D570-T573 WeakPolarHBondContact OD2-CG2 3.35Å; D570-T573 PolarHBondContact OD2-OG1 2.92Å
574P56.7Low60.5Low84 Ų84115.7 Ų115.755%0.54556%0.56SS.*  trans-66.7144.5-176.9-20.331.6000115.9K576 E577 K578P574-K576 VanDerWaalsContact C-N 3.31Å; P574-K576 PolarHBondContact O-N 2.92Å; P574-K576 VanDerWaalsContact O-N 3.11Å; P574-E577 PolarHBondContact O-N 3.18Å; P574-K578 PolarHBondContact O-N 3.42Å; P574-K578 VanDerWaalsContact O-N 3.16Å
575K56.6Low60.9Low192 Ų192113 Ų11384%0.83555%0.55SS**Hα-helixtrans-53.5-32.4-175.9-84.8-176.5176.1176.90116Q579K575-Q579 PolarHBondContact O-N 2.98Å
576K61.3Low61.3Low187 Ų187111.7 Ų111.781%0.81354%0.542SS*.Hα-helixtrans-76.5-42.2-175.4-153.2179.4-178.1-174.20112.4P574 K578 Q579 E580P574-K576 VanDerWaalsContact C-N 3.31Å; P574-K576 PolarHBondContact O-N 2.92Å; P574-K576 VanDerWaalsContact O-N 3.11Å; K576-K578 VanDerWaalsContact C-N 3.32Å; K576-Q579 PolarHBondContact O-N 2.85Å; K576-E580 PolarHBondContact O-N 3.44Å
577E60.8Low61.9Low95 Ų95111.4 Ų111.444%0.44454%0.541SS..Hα-helixtrans-68-33.4171.1-79.7-170.1178.200112.1P574 Q579 E580 R581P574-E577 PolarHBondContact O-N 3.18Å; E577-Q579 VanDerWaalsContact C-N 3.32Å; E577-Q579 PolarHBondContact O-N 3.36Å; E577-E580 PolarHBondContact O-N 3.21Å; E577-R581 WeakPolarHBondContact O-CB 3.46Å; E577-R581 WeakPolarHBondContact O-CG 3.15Å; E577-R581 PolarHBondContact O-N 2.85Å; E577-R581 IonicContact OE2-CZ 2.64Å; E577-R581 IonicContact OE2-NH2 3.9Å; E577-R581 PolarHBondContact OE2-NH2 2.91Å
578K59.5Low63Low55 Ų55113.8 Ų113.824%0.23955%0.554CS.*Hα-helixtrans-60.6-41.3177.7-149160.5-176.2166.70111.1M567 D570 P574 K576 I582M567-K578 HydrophobicContact CE-CB 4.22Å; M567-K578 HydrophobicContact CE-CD 3.86Å; M567-K578 VanDerWaalsContact CE-CE 3.45Å; M567-K578 HydrophobicContact CE-CG 3.03Å; M567-K578 WeakPolarHBondContact O-CE 3.28Å; M567-K578 PolarHBondContact O-NZ 3.14Å; D570-K578 PolarHBondContact O-NZ 3.18Å; P574-K578 PolarHBondContact O-N 3.42Å; P574-K578 VanDerWaalsContact O-N 3.16Å; K576-K578 VanDerWaalsContact C-N 3.32Å; K578-I582 VanDerWaalsContact O-CD1 3.3Å; K578-I582 WeakPolarHBondContact O-CD1 3.33Å; K578-I582 WeakPolarHBondContact O-CG1 3.43Å; K578-I582 PolarHBondContact O-N 3.31Å
579Q63Low63.8Low133 Ų133109.6 Ų109.662%0.62153%0.532SS*.Hα-helixtrans-72.7-38.1176.6-166.571.315.500113.2K575 K576 E577 I582 S583K575-Q579 PolarHBondContact O-N 2.98Å; K576-Q579 PolarHBondContact O-N 2.85Å; E577-Q579 VanDerWaalsContact C-N 3.32Å; E577-Q579 PolarHBondContact O-N 3.36Å; Q579-I582 PolarHBondContact O-N 2.96Å; Q579-S583 PolarHBondContact O-N 2.95Å
580E66.1Low64.9Low139 Ų139106.3 Ų106.365%0.6552%0.516SS*.Hα-helixtrans-71.7-39.5179.7-165.7172.1-164.500112K576 E577 S583 K584K576-E580 PolarHBondContact O-N 3.44Å; E577-E580 PolarHBondContact O-N 3.21Å; E580-S583 PolarHBondContact O-N 2.71Å; E580-K584 WeakPolarHBondContact O-CB 3.5Å; E580-K584 PolarHBondContact O-N 3.18Å
581R65.6Low66.2Low135 Ų135108.7 Ų108.751%0.50953%0.526SS..Hα-helixtrans-62.2-40.7170.3-71.8-174.9-150.81728.4111.9E577 K584 H585E577-R581 WeakPolarHBondContact O-CB 3.46Å; E577-R581 WeakPolarHBondContact O-CG 3.15Å; E577-R581 PolarHBondContact O-N 2.85Å; E577-R581 IonicContact OE2-CZ 2.64Å; E577-R581 IonicContact OE2-NH2 3.9Å; E577-R581 PolarHBondContact OE2-NH2 2.91Å; R581-K584 PolarHBondContact O-N 3.29Å; R581-H585 WeakPolarHBondContact O-CB 3.41Å; R581-H585 PolarHBondContact O-N 2.89Å
582I65.6Low67.4Low70 Ų70103 Ų10336%0.35950%0.504SS..Hα-helixtrans-63.1-43.1174.6-71.1165.1000111M567 K578 Q579 K586M567-I582 HydrophobicContact CE-CD1 3.84Å; M567-I582 HydrophobicContact CE-CG1 3.93Å; M567-I582 HydrophobicContact SD-CD1 3.86Å; M567-I582 HydrophobicContact SD-CG1 3.69Å; K578-I582 VanDerWaalsContact O-CD1 3.3Å; K578-I582 WeakPolarHBondContact O-CD1 3.33Å; K578-I582 WeakPolarHBondContact O-CG1 3.43Å; K578-I582 PolarHBondContact O-N 3.31Å; Q579-I582 PolarHBondContact O-N 2.96Å; I582-K586 WeakPolarHBondContact O-CB 3.32Å; I582-K586 PolarHBondContact O-N 2.83Å
583S69.5Low68.6Low69 Ų6999.4 Ų99.448%0.48348%0.475SS..Hα-helixtrans-64.1-47.8177.8-165.70000111.5Q579 E580 H585 K586 E587Q579-S583 PolarHBondContact O-N 2.95Å; E580-S583 PolarHBondContact O-N 2.71Å; S583-H585 PolarHBondContact O-N 3.36Å; S583-K586 WeakPolarHBondContact O-CB 3.12Å; S583-K586 PolarHBondContact O-N 2.91Å; S583-E587 WeakPolarHBondContact O-CB 3.45Å; S583-E587 PolarHBondContact O-N 3.11Å
584K73.1Confident70.1Confident137 Ų137100.2 Ų100.260%0.59649%0.486SS*.Hα-helixtrans-65.8-36.8178.7-167.3173.8-175.1175.40112.5E580 R581 E587 N588E580-K584 WeakPolarHBondContact O-CB 3.5Å; E580-K584 PolarHBondContact O-N 3.18Å; R581-K584 PolarHBondContact O-N 3.29Å; K584-E587 PolarHBondContact O-N 3.19Å; K584-N588 WeakPolarHBondContact O-CB 3.36Å; K584-N588 VanDerWaalsContact O-CG 3.23Å; K584-N588 PolarHBondContact O-N 3.39Å
585H70.8Confident71.3Confident96 Ų96101.4 Ų101.444%0.44448%0.484SS..Hα-helixtrans-72.4-35.5175.7-160.988.7000111.9I563 R581 S583 L589I563-H585 WeakPolarHBondContact CD1-CD2 3.34Å; I563-H585 WeakPolarHBondContact CD1-NE2 3.47Å; R581-H585 WeakPolarHBondContact O-CB 3.41Å; R581-H585 PolarHBondContact O-N 2.89Å; S583-H585 PolarHBondContact O-N 3.36Å; H585-L589 WeakPolarHBondContact O-CB 3.37Å; H585-L589 PolarHBondContact O-N 2.83Å
586K72.1Confident72.6Confident102 Ų10297 Ų9744%0.44347%0.466SS..Hα-helixtrans-64.6-42171.3-178.3-174.3174.8-167.40111.6I582 S583 Q590I582-K586 WeakPolarHBondContact O-CB 3.32Å; I582-K586 PolarHBondContact O-N 2.83Å; S583-K586 WeakPolarHBondContact O-CB 3.12Å; S583-K586 PolarHBondContact O-N 2.91Å; K586-Q590 WeakPolarHBondContact O-CB 3.32Å; K586-Q590 VanDerWaalsContact O-CG 3.3Å; K586-Q590 WeakPolarHBondContact O-CG 3.27Å; K586-Q590 PolarHBondContact O-N 3.22Å
587E75.8Confident73.7Confident127 Ų12791 Ų9159%0.59344%0.441SS*.Hα-helixtrans-67.4-45.7176.9-170.5174.6-169.400111.5S583 K584 L589 Q590 H591S583-E587 WeakPolarHBondContact O-CB 3.45Å; S583-E587 PolarHBondContact O-N 3.11Å; K584-E587 PolarHBondContact O-N 3.19Å; E587-L589 PolarHBondContact O-N 2.96Å; E587-Q590 PolarHBondContact O-N 3.01Å; E587-H591 WeakPolarHBondContact O-CB 3.26Å; E587-H591 PolarHBondContact O-N 2.81Å
588N78.5Confident74.7Confident92 Ų9288.9 Ų88.949%0.49244%0.44SS..Hα-helixtrans-60.1-44173.5-76.5-6.1000111.9K584 H591 T592K584-N588 WeakPolarHBondContact O-CB 3.36Å; K584-N588 VanDerWaalsContact O-CG 3.23Å; K584-N588 PolarHBondContact O-N 3.39Å; N588-H591 PolarHBondContact O-N 3.3Å; N588-T592 PolarHBondContact O-N 3.15Å; N588-T592 PolarHBondContact O-OG1 2.93Å
589L76.9Confident76Confident37 Ų3791.8 Ų91.819%0.19445%0.454CS..Hα-helixtrans-64.6-40.9177.3-175.861.6000111.4Y556 H585 E587 Q593Y556-L589 HydrophobicContact CD2-CD2 3.43Å; Y556-L589 VanDerWaalsContact CD2-CD2 3.43Å; Y556-L589 HydrophobicContact CD2-CG 4.16Å; Y556-L589 HydrophobicContact CE2-CD2 3.7Å; Y556-L589 HydrophobicContact CE2-CG 4.48Å; H585-L589 WeakPolarHBondContact O-CB 3.37Å; H585-L589 PolarHBondContact O-N 2.83Å; E587-L589 PolarHBondContact O-N 2.96Å; L589-Q593 WeakPolarHBondContact O-CB 3.22Å; L589-Q593 WeakPolarHBondContact O-CG 3.28Å; L589-Q593 PolarHBondContact O-N 2.71Å
590Q78.1Confident77.1Confident101 Ų10187 Ų8747%0.47243%0.433SS..Hα-helixtrans-66.4-37.4174.4-77.8-179.2-2100112.5K586 E587 Q593 A594K586-Q590 WeakPolarHBondContact O-CB 3.32Å; K586-Q590 VanDerWaalsContact O-CG 3.3Å; K586-Q590 WeakPolarHBondContact O-CG 3.27Å; K586-Q590 PolarHBondContact O-N 3.22Å; E587-Q590 PolarHBondContact O-N 3.01Å; Q590-Q593 PolarHBondContact O-N 2.9Å; Q590-A594 WeakPolarHBondContact O-CB 3.44Å; Q590-A594 PolarHBondContact O-N 3.45Å
591H80.4Confident78.1Confident108 Ų10884 Ų8450%0.542%0.421SS..Hα-helixtrans-64.2-50.5174.9-172.5-82.4000111.2E587 N588 Q593 A594 E595E587-H591 WeakPolarHBondContact O-CB 3.26Å; E587-H591 PolarHBondContact O-N 2.81Å; N588-H591 PolarHBondContact O-N 3.3Å; H591-Q593 VanDerWaalsContact C-N 3.3Å; H591-Q593 PolarHBondContact O-N 2.77Å; H591-A594 PolarHBondContact O-N 2.99Å; H591-A594 VanDerWaalsContact O-N 3.16Å; H591-E595 IonicContact CE1-OE1 3.89Å; H591-E595 PolarHBondContact CE1-OE1 3.36Å; H591-E595 IonicContact CE1-OE2 2.88Å; H591-E595 PolarHBondContact CE1-OE2 3.33Å; H591-E595 IonicContact ND1-OE1 3.5Å; H591-E595 IonicContact ND1-OE2 3.06Å; H591-E595 PolarHBondContact ND1-OE2 3.45Å; H591-E595 WeakPolarHBondContact O-CG 3.47Å; H591-E595 PolarHBondContact O-N 3.01Å
592T78.8Confident79Confident62 Ų6281.4 Ų81.438%0.3842%0.42SS..Hα-helixtrans-60.7-39.9176-55.20000111.5N588 E595 E596N588-T592 PolarHBondContact O-N 3.15Å; N588-T592 PolarHBondContact O-OG1 2.93Å; T592-E595 PolarHBondContact O-N 2.88Å; T592-E596 HydrophobicContact CG2-CG 4.5Å; T592-E596 WeakPolarHBondContact O-CB 3.34Å; T592-E596 VanDerWaalsContact O-CG 3.31Å; T592-E596 WeakPolarHBondContact O-CG 3.44Å; T592-E596 PolarHBondContact O-N 2.94Å
593Q81.9Confident79.9Confident27 Ų2783.1 Ų83.113%0.12643%0.427CS..Hα-helixtrans-62-41.5174.4-79.8179-9.800113.1Q552 L589 Q590 H591 E597Q552-Q593 HydrophobicContact CG-CB 4.27Å; Q552-Q593 HydrophobicContact CG-CG 3.61Å; Q552-Q593 PolarHBondContact NE2-O 2.84Å; L589-Q593 WeakPolarHBondContact O-CB 3.22Å; L589-Q593 WeakPolarHBondContact O-CG 3.28Å; L589-Q593 PolarHBondContact O-N 2.71Å; Q590-Q593 PolarHBondContact O-N 2.9Å; H591-Q593 VanDerWaalsContact C-N 3.3Å; H591-Q593 PolarHBondContact O-N 2.77Å; Q593-E597 WeakPolarHBondContact O-CB 3.39Å; Q593-E597 PolarHBondContact O-N 3.41Å
594A81Confident80.8Confident56 Ų5680.8 Ų80.846%0.46341%0.408SS..Hα-helixtrans-70.4-36.6176.100000112.3Q590 H591 A598Q590-A594 WeakPolarHBondContact O-CB 3.44Å; Q590-A594 PolarHBondContact O-N 3.45Å; H591-A594 PolarHBondContact O-N 2.99Å; H591-A594 VanDerWaalsContact O-N 3.16Å; A594-A598 VanDerWaalsContact O-CB 3.27Å; A594-A598 WeakPolarHBondContact O-CB 3.19Å; A594-A598 PolarHBondContact O-N 3.15Å
595E83Confident81.4Confident110 Ų11082.8 Ų82.851%0.51441%0.412SS..Hα-helixtrans-65.1-43.4173.7-75177.7135.700111.9H591 T592 A598 H599H591-E595 IonicContact CE1-OE1 3.89Å; H591-E595 PolarHBondContact CE1-OE1 3.36Å; H591-E595 IonicContact CE1-OE2 2.88Å; H591-E595 PolarHBondContact CE1-OE2 3.33Å; H591-E595 IonicContact ND1-OE1 3.5Å; H591-E595 IonicContact ND1-OE2 3.06Å; H591-E595 PolarHBondContact ND1-OE2 3.45Å; H591-E595 WeakPolarHBondContact O-CG 3.47Å; H591-E595 PolarHBondContact O-N 3.01Å; T592-E595 PolarHBondContact O-N 2.88Å; E595-A598 PolarHBondContact O-N 3.41Å; E595-H599 VanDerWaalsContact O-CB 3.29Å; E595-H599 WeakPolarHBondContact O-CB 3.27Å; E595-H599 PolarHBondContact O-N 3.02Å
596E82.6Confident82Confident98 Ų9882.6 Ų82.646%0.45841%0.414SS..Hα-helixtrans-67.2-38.2176.2-70.1177.6171.300112.2F548 T592 H599 L600F548-E596 HydrophobicContact CZ-CB 3.79Å; T592-E596 HydrophobicContact CG2-CG 4.5Å; T592-E596 WeakPolarHBondContact O-CB 3.34Å; T592-E596 VanDerWaalsContact O-CG 3.31Å; T592-E596 WeakPolarHBondContact O-CG 3.44Å; T592-E596 PolarHBondContact O-N 2.94Å; E596-H599 PolarHBondContact O-N 3.34Å; E596-L600 PolarHBondContact O-N 3.42Å
597E83.9Confident82.7Confident62 Ų6284.1 Ų84.129%0.2942%0.418SS..Hα-helixtrans-64.5-45.6172.9-174.9178.7170.500111.4L545 F548 Q593 H599 L600 L601L545-E597 HydrophobicContact CD1-CG 4.37Å; F548-E597 HydrophobicContact CE1-CB 4.2Å; Q593-E597 WeakPolarHBondContact O-CB 3.39Å; Q593-E597 PolarHBondContact O-N 3.41Å; E597-H599 VanDerWaalsContact C-N 3.29Å; E597-H599 PolarHBondContact O-N 2.85Å; E597-L600 PolarHBondContact O-N 3.07Å; E597-L601 HydrophobicContact CG-CD1 4.28Å; E597-L601 WeakPolarHBondContact O-CG 3.41Å; E597-L601 PolarHBondContact O-N 2.94Å
598A83.8Confident83.1Confident51 Ų5180.9 Ų80.942%0.42140%0.401SS..Hα-helixtrans-62-37.1175.200000112A594 E595 T602A594-A598 VanDerWaalsContact O-CB 3.27Å; A594-A598 WeakPolarHBondContact O-CB 3.19Å; A594-A598 PolarHBondContact O-N 3.15Å; E595-A598 PolarHBondContact O-N 3.41Å; A598-T602 WeakPolarHBondContact O-CB 3.46Å; A598-T602 PolarHBondContact O-N 2.82Å; A598-T602 PolarHBondContact O-OG1 3.03Å
599H86.3Confident83.3Confident115 Ų11578.7 Ų78.753%0.53239%0.389SS..Hα-helixtrans-65.8-44.1174.5-178.3-94.5000111.8E595 E596 E597 T602 Q603E595-H599 VanDerWaalsContact O-CB 3.29Å; E595-H599 WeakPolarHBondContact O-CB 3.27Å; E595-H599 PolarHBondContact O-N 3.02Å; E596-H599 PolarHBondContact O-N 3.34Å; E597-H599 VanDerWaalsContact C-N 3.29Å; E597-H599 PolarHBondContact O-N 2.85Å; H599-T602 PolarHBondContact O-N 3.46Å; H599-Q603 PolarHBondContact CE1-NE2 2.9Å; H599-Q603 VanDerWaalsContact CE1-NE2 3.32Å; H599-Q603 PolarHBondContact O-N 3.47Å
600L86.4Confident83.6Confident32 Ų3284.4 Ų84.417%0.16841%0.412CS..Hα-helixtrans-61.6-46.3174.8179.964.1000111.7L545 F548 E596 E597 T602 Q603 Q604L545-L600 HydrophobicContact CD1-CD2 4.27Å; F548-L600 HydrophobicContact CB-CD2 3.6Å; F548-L600 HydrophobicContact CD1-CD2 3.77Å; F548-L600 HydrophobicContact CD2-CD2 4.02Å; F548-L600 HydrophobicContact CG-CD2 3.51Å; E596-L600 PolarHBondContact O-N 3.42Å; E597-L600 PolarHBondContact O-N 3.07Å; L600-T602 VanDerWaalsContact C-N 3.3Å; L600-T602 PolarHBondContact O-N 2.81Å; L600-Q603 PolarHBondContact O-N 3.28Å; L600-Q604 HydrophobicContact CD1-CG 4.44Å; L600-Q604 WeakPolarHBondContact O-CB 3.21Å; L600-Q604 VanDerWaalsContact O-CG 3.31Å; L600-Q604 WeakPolarHBondContact O-CG 3.44Å; L600-Q604 PolarHBondContact O-N 3.35Å
601L85.6Confident83.9Confident77 Ų7781.1 Ų81.140%0.40340%0.398SS..Hα-helixtrans-61.8-39.1176.9-71.1171.9000111.8L545 E597 Q604 R605L545-L601 HydrophobicContact CD1-CD2 4.37Å; L545-L601 HydrophobicContact CD2-CD2 4.39Å; E597-L601 HydrophobicContact CG-CD1 4.28Å; E597-L601 WeakPolarHBondContact O-CG 3.41Å; E597-L601 PolarHBondContact O-N 2.94Å; L601-Q604 PolarHBondContact O-N 3.42Å; L601-R605 WeakPolarHBondContact O-CB 3.37Å; L601-R605 PolarHBondContact O-N 2.94Å
602T85.1Confident84Confident81 Ų8176.8 Ų76.850%0.49738%0.379SS..Hα-helixtrans-65.2-44174.9-58.90000111.4A598 H599 L600 R605 L606A598-T602 WeakPolarHBondContact O-CB 3.46Å; A598-T602 PolarHBondContact O-N 2.82Å; A598-T602 PolarHBondContact O-OG1 3.03Å; H599-T602 PolarHBondContact O-N 3.46Å; L600-T602 VanDerWaalsContact C-N 3.3Å; L600-T602 PolarHBondContact O-N 2.81Å; T602-R605 PolarHBondContact O-N 3.1Å; T602-L606 HydrophobicContact CG2-CD1 4.26Å; T602-L606 WeakPolarHBondContact O-CG 3.36Å; T602-L606 PolarHBondContact O-N 2.91Å
603Q85.6Confident84.1Confident105 Ų10576.9 Ų76.949%0.49137%0.373SS..Hα-helixtrans-62.1-43.3173.9-81.4-168.7-17.900112.3H599 L600 R605 L606 Y607H599-Q603 PolarHBondContact CE1-NE2 2.9Å; H599-Q603 VanDerWaalsContact CE1-NE2 3.32Å; H599-Q603 PolarHBondContact O-N 3.47Å; L600-Q603 PolarHBondContact O-N 3.28Å; Q603-R605 VanDerWaalsContact C-N 3.34Å; Q603-R605 PolarHBondContact O-N 2.73Å; Q603-L606 PolarHBondContact O-N 3.01Å; Q603-Y607 VanDerWaalsContact O-CB 3.31Å; Q603-Y607 WeakPolarHBondContact O-CB 3.42Å; Q603-Y607 PolarHBondContact O-N 3.27Å
604Q87.8Confident84.2Confident21 Ų2182 Ų8210%0.09840%0.395CS..Hα-helixtrans-60.5-43176.2-76.5-174.5-1.200111.4Q541 L600 L601 Y607 Y608Q541-Q604 HydrophobicContact CB-CG 4.4Å; Q541-Q604 HydrophobicContact CG-CB 3.94Å; Q541-Q604 HydrophobicContact CG-CG 3.9Å; Q541-Q604 PolarHBondContact NE2-O 2.93Å; Q541-Q604 PolarHBondContact O-NE2 3.01Å; L600-Q604 HydrophobicContact CD1-CG 4.44Å; L600-Q604 WeakPolarHBondContact O-CB 3.21Å; L600-Q604 VanDerWaalsContact O-CG 3.31Å; L600-Q604 WeakPolarHBondContact O-CG 3.44Å; L600-Q604 PolarHBondContact O-N 3.35Å; L601-Q604 PolarHBondContact O-N 3.42Å; Q604-Y607 PolarHBondContact O-N 3.01Å; Q604-Y608 WeakPolarHBondContact O-CB 3.45Å; Q604-Y608 PolarHBondContact O-N 3.35Å
605R84.3Confident84.4Confident179 Ų17980.7 Ų80.768%0.67538%0.379SS*.Hα-helixtrans-63.6-46.4175.8-173.8179.4178.4-1490.4112.2L601 T602 Q603 Y607 Y608 D609L601-R605 WeakPolarHBondContact O-CB 3.37Å; L601-R605 PolarHBondContact O-N 2.94Å; T602-R605 PolarHBondContact O-N 3.1Å; Q603-R605 VanDerWaalsContact C-N 3.34Å; Q603-R605 PolarHBondContact O-N 2.73Å; R605-Y607 VanDerWaalsContact C-N 3.31Å; R605-Y607 PolarHBondContact O-N 2.68Å; R605-Y608 PolarHBondContact O-N 3.16Å; R605-D609 PolarHBondContact O-N 3.11Å
606L85.1Confident84.4Confident92 Ų9280.8 Ų80.848%0.48238%0.378SS..Hα-helixtrans-61.9-39.9176.1-72.2171.1000111.8T602 Q603 K610 F882T602-L606 HydrophobicContact CG2-CD1 4.26Å; T602-L606 WeakPolarHBondContact O-CG 3.36Å; T602-L606 PolarHBondContact O-N 2.91Å; Q603-L606 PolarHBondContact O-N 3.01Å; L606-K610 WeakPolarHBondContact O-CB 3.19Å; L606-K610 PolarHBondContact O-N 3.39Å; L606-F882 HydrophobicContact CD2-CE1 4.42Å
607Y85.4Confident84.5Confident133 Ų13382.4 Ų82.452%0.52238%0.379SS..Hα-helixtrans-63.1-46.2174.7-179.5-93.9000111.6I537 Q603 Q604 R605 K610 N611I537-Y607 HydrophobicContact CG2-CD1 4.34Å; I537-Y607 HydrophobicContact CG2-CE1 4.4Å; Q603-Y607 VanDerWaalsContact O-CB 3.31Å; Q603-Y607 WeakPolarHBondContact O-CB 3.42Å; Q603-Y607 PolarHBondContact O-N 3.27Å; Q604-Y607 PolarHBondContact O-N 3.01Å; R605-Y607 VanDerWaalsContact C-N 3.31Å; R605-Y607 PolarHBondContact O-N 2.68Å; Y607-K610 PolarHBondContact O-N 3.23Å; Y607-N611 WeakPolarHBondContact CD1-ND2 3.23Å; Y607-N611 WeakPolarHBondContact CD2-ND2 3.45Å; Y607-N611 VanDerWaalsContact CE1-ND2 3.26Å; Y607-N611 WeakPolarHBondContact CE1-ND2 3.37Å; Y607-N611 WeakPolarHBondContact CE2-ND2 3.28Å; Y607-N611 VanDerWaalsContact O-CB 3.3Å; Y607-N611 WeakPolarHBondContact O-CB 3.42Å; Y607-N611 PolarHBondContact O-N 2.87Å; Y607-N611 PolarHBondContact O-ND2 3.11Å
608Y84.5Confident84.5Confident60 Ų6085.1 Ų85.124%0.23539%0.39CS..Hα-helixtrans-59-50.3175.6-179.9-92.5000111.4Q534 I537 Q604 R605 K610 N611 C612Q534-Y608 HydrophobicContact CG-CE2 4.44Å; I537-Y608 HydrophobicContact CB-CD2 4.24Å; I537-Y608 HydrophobicContact CD1-CD2 4.34Å; I537-Y608 HydrophobicContact CG2-CD2 3.74Å; Q604-Y608 WeakPolarHBondContact O-CB 3.45Å; Q604-Y608 PolarHBondContact O-N 3.35Å; R605-Y608 PolarHBondContact O-N 3.16Å; Y608-K610 VanDerWaalsContact C-N 3.34Å; Y608-K610 PolarHBondContact O-N 3Å; Y608-N611 PolarHBondContact O-N 3.02Å; Y608-C612 WeakPolarHBondContact CE1-SG 3.36Å; Y608-C612 WeakPolarHBondContact O-CB 3.49Å; Y608-C612 PolarHBondContact O-N 2.81Å; Y608-C612 PolarHBondContact O-SG 2.91Å
609D82.3Confident84.7Confident46 Ų4684.9 Ų84.925%0.24638%0.381CS..Hα-helixtrans-62.3-39.2-179.4-78.2-14.4000112.6R605 R613R605-D609 PolarHBondContact O-N 3.11Å; D609-R613 WeakPolarHBondContact O-CB 3.42Å; D609-R613 VanDerWaalsContact O-CG 3.28Å; D609-R613 WeakPolarHBondContact O-CG 3.46Å; D609-R613 PolarHBondContact O-N 3.35Å; D609-R613 VanDerWaalsContact O-N 3.11Å; D609-R613 PolarHBondContact O-NE 3.41Å
610K83.9Confident84.6Confident156 Ų15680.7 Ų80.768%0.67836%0.362SS*.Hα-helixtrans-63.9-45.4175.5-177.4179.6177.8-179.30111.3L606 Y607 Y608 R613 F614L606-K610 WeakPolarHBondContact O-CB 3.19Å; L606-K610 PolarHBondContact O-N 3.39Å; Y607-K610 PolarHBondContact O-N 3.23Å; Y608-K610 VanDerWaalsContact C-N 3.34Å; Y608-K610 PolarHBondContact O-N 3Å; K610-R613 PolarHBondContact O-N 3.19Å; K610-F614 PolarHBondContact O-N 3.05Å
611N84Confident84.6Confident33 Ų3382.5 Ų82.518%0.17637%0.371CS..Hα-helixtrans-70.8-40.6-178.5-85.5-71.6000112.5F533 I537 Y607 Y608 R613 F614 F615F533-N611 HydrophobicContact CE1-CB 4.14Å; F533-N611 HydrophobicContact CZ-CB 3.71Å; I537-N611 HydrophobicContact CD1-CB 3.82Å; Y607-N611 WeakPolarHBondContact CD1-ND2 3.23Å; Y607-N611 WeakPolarHBondContact CD2-ND2 3.45Å; Y607-N611 VanDerWaalsContact CE1-ND2 3.26Å; Y607-N611 WeakPolarHBondContact CE1-ND2 3.37Å; Y607-N611 WeakPolarHBondContact CE2-ND2 3.28Å; Y607-N611 VanDerWaalsContact O-CB 3.3Å; Y607-N611 WeakPolarHBondContact O-CB 3.42Å; Y607-N611 PolarHBondContact O-N 2.87Å; Y607-N611 PolarHBondContact O-ND2 3.11Å; Y608-N611 PolarHBondContact O-N 3.02Å; N611-R613 VanDerWaalsContact C-N 3.33Å; N611-R613 PolarHBondContact O-N 2.87Å; N611-F614 PolarHBondContact O-N 3.24Å; N611-F615 WeakPolarHBondContact O-CB 3.5Å; N611-F615 PolarHBondContact O-N 3.38Å
612C82.3Confident84.6Confident16 Ų1683.8 Ų83.811%0.10837%0.374CS..Hα-helixtrans-60.7-40.5172.3-78.30000112Y608 F615 K616Y608-C612 WeakPolarHBondContact CE1-SG 3.36Å; Y608-C612 WeakPolarHBondContact O-CB 3.49Å; Y608-C612 PolarHBondContact O-N 2.81Å; Y608-C612 PolarHBondContact O-SG 2.91Å; C612-F615 PolarHBondContact O-N 3.43Å; C612-K616 WeakPolarHBondContact O-CB 3.45Å; C612-K616 VanDerWaalsContact O-CG 3.28Å; C612-K616 WeakPolarHBondContact O-CG 3.31Å; C612-K616 PolarHBondContact O-N 3.2Å
613R80.8Confident84.6Confident64 Ų6488.3 Ų88.324%0.24238%0.382CS..Hα-helixtrans-64.2-44.9174.2-76.3-177.5-116-155.9-3.5112.1D609 K610 N611 F615 K616 R617 I878D609-R613 WeakPolarHBondContact O-CB 3.42Å; D609-R613 VanDerWaalsContact O-CG 3.28Å; D609-R613 WeakPolarHBondContact O-CG 3.46Å; D609-R613 PolarHBondContact O-N 3.35Å; D609-R613 VanDerWaalsContact O-N 3.11Å; D609-R613 PolarHBondContact O-NE 3.41Å; K610-R613 PolarHBondContact O-N 3.19Å; N611-R613 VanDerWaalsContact C-N 3.33Å; N611-R613 PolarHBondContact O-N 2.87Å; R613-F615 VanDerWaalsContact C-N 3.33Å; R613-F615 PolarHBondContact O-N 2.89Å; R613-K616 PolarHBondContact O-N 2.96Å; R613-R617 WeakPolarHBondContact O-CB 3.43Å; R613-R617 PolarHBondContact O-N 3.45Å; R613-I878 PolarHBondContact NH1-O 3.23Å
614F83.8Confident84.7Confident136 Ų13684 Ų8460%0.59636%0.361SS*.Hα-helixtrans-59-44.8175.6179.7-97.4000111.8K610 N611 R617 K618K610-F614 PolarHBondContact O-N 3.05Å; N611-F614 PolarHBondContact O-N 3.24Å; F614-R617 PolarHBondContact O-N 3.43Å; F614-K618 PolarHBondContact O-N 3.27Å
615F85.1Confident84.6Confident28 Ų2888.3 Ų88.312%0.12338%0.382CS..Hα-helixtrans-66.2-45.5178.7-173.6-98.2000112.6D529 E530 F533 N611 C612 R613 R617 K618 I619D529-F615 HydrophobicContact CB-CE2 4.44Å; D529-F615 HydrophobicContact CB-CZ 3.91Å; E530-F615 VanDerWaalsContact CA-CE1 3.42Å; E530-F615 HydrophobicContact CB-CE1 3.6Å; E530-F615 HydrophobicContact CB-CZ 4.26Å; E530-F615 HydrophobicContact CG-CD1 4.31Å; E530-F615 HydrophobicContact CG-CE1 3.87Å; F533-F615 HydrophobicContact CB-CD2 4.5Å; F533-F615 HydrophobicContact CB-CE2 4.35Å; F533-F615 HydrophobicContact CD1-CB 4.15Å; F533-F615 HydrophobicContact CD1-CD1 4.43Å; F533-F615 HydrophobicContact CD1-CD2 4.24Å; F533-F615 HydrophobicContact CD1-CG 4.02Å; F533-F615 HydrophobicContact CD2-CD2 4.38Å; F533-F615 HydrophobicContact CE1-CB 3.75Å; F533-F615 HydrophobicContact CE1-CD2 4.47Å; F533-F615 HydrophobicContact CE1-CG 4.13Å; F533-F615 HydrophobicContact CG-CD2 4.14Å; F533-F615 HydrophobicContact CG-CE2 4.46Å; F533-F615 HydrophobicContact CG-CG 4.38Å; F533-F615 HydrophobicContact CZ-CB 4.1Å; N611-F615 WeakPolarHBondContact O-CB 3.5Å; N611-F615 PolarHBondContact O-N 3.38Å; C612-F615 PolarHBondContact O-N 3.43Å; R613-F615 VanDerWaalsContact C-N 3.33Å; R613-F615 PolarHBondContact O-N 2.89Å; F615-R617 VanDerWaalsContact C-N 3.31Å; F615-R617 PolarHBondContact O-N 3.13Å; F615-K618 WeakPolarHBondContact O-CB 3.3Å; F615-K618 PolarHBondContact O-N 2.98Å; F615-K618 VanDerWaalsContact O-N 3.11Å; F615-I619 HydrophobicContact CD1-CD1 3.71Å; F615-I619 HydrophobicContact CD1-CG1 4.48Å; F615-I619 HydrophobicContact CE1-CD1 3.1Å; F615-I619 HydrophobicContact CE1-CG1 4.07Å; F615-I619 HydrophobicContact CZ-CD1 3.59Å; F615-I619 HydrophobicContact CZ-CG1 4.25Å; F615-I619 PolarHBondContact O-N 2.64Å
616K84.3Confident84.8Confident112 Ų11281.4 Ų81.449%0.48736%0.359SS..Hα-helixtrans-58.6-41174-76.2178.9178.4-175.80112.1C612 R613 I619 M620C612-K616 WeakPolarHBondContact O-CB 3.45Å; C612-K616 VanDerWaalsContact O-CG 3.28Å; C612-K616 WeakPolarHBondContact O-CG 3.31Å; C612-K616 PolarHBondContact O-N 3.2Å; R613-K616 PolarHBondContact O-N 2.96Å; K616-I619 PolarHBondContact O-N 3.28Å; K616-M620 WeakPolarHBondContact O-CB 3.43Å; K616-M620 PolarHBondContact O-N 3.23Å
617R83.6Confident84.8Confident132 Ų13280.3 Ų80.350%0.49835%0.352SS..Hα-helixtrans-61.9-43.4174-175.6179.7179.6-161.30.1111.7R613 F614 F615 M620 I621R613-R617 WeakPolarHBondContact O-CB 3.43Å; R613-R617 PolarHBondContact O-N 3.45Å; F614-R617 PolarHBondContact O-N 3.43Å; F615-R617 VanDerWaalsContact C-N 3.31Å; F615-R617 PolarHBondContact O-N 3.13Å; R617-M620 PolarHBondContact O-N 3.46Å; R617-I621 HydrophobicContact CG-CD1 4.1Å; R617-I621 WeakPolarHBondContact O-CG1 3.4Å; R617-I621 PolarHBondContact O-N 2.96Å
618K85.4Confident84.9Confident118 Ų11876.7 Ų76.751%0.51334%0.339SS..Hα-helixtrans-62.7-43.4178.4-172.7-179.7179.1-178.60112.3F614 F615 K622F614-K618 PolarHBondContact O-N 3.27Å; F615-K618 WeakPolarHBondContact O-CB 3.3Å; F615-K618 PolarHBondContact O-N 2.98Å; F615-K618 VanDerWaalsContact O-N 3.11Å; K618-K622 PolarHBondContact O-N 2.93Å
619I86.9Confident85.1Confident46 Ų4678 Ų7824%0.23635%0.348CS..Hα-helixtrans-65-44.7175.5-70.8172.9000111A526 F615 K616 I621 K622 R623A526-I619 HydrophobicContact CB-CD1 3.97Å; A526-I619 HydrophobicContact CB-CG1 4.28Å; A526-I619 HydrophobicContact CB-CG2 4.02Å; F615-I619 HydrophobicContact CD1-CD1 3.71Å; F615-I619 HydrophobicContact CD1-CG1 4.48Å; F615-I619 HydrophobicContact CE1-CD1 3.1Å; F615-I619 HydrophobicContact CE1-CG1 4.07Å; F615-I619 HydrophobicContact CZ-CD1 3.59Å; F615-I619 HydrophobicContact CZ-CG1 4.25Å; F615-I619 PolarHBondContact O-N 2.64Å; K616-I619 PolarHBondContact O-N 3.28Å; I619-I621 VanDerWaalsContact C-N 3.32Å; I619-I621 PolarHBondContact O-N 3.49Å; I619-K622 PolarHBondContact O-N 3.07Å; I619-R623 PolarHBondContact O-N 3.47Å
620M84.7Confident85.5Confident27 Ų2776.4 Ų76.413%0.13334%0.339CS..Hα-helixtrans-59.6-42.7179.9-177-167.86700111.9K616 R617 R623 H624 S871 T872 L875K616-M620 WeakPolarHBondContact O-CB 3.43Å; K616-M620 PolarHBondContact O-N 3.23Å; R617-M620 PolarHBondContact O-N 3.46Å; M620-R623 PolarHBondContact O-N 3.08Å; M620-H624 VanDerWaalsContact CG-CE1 3.42Å; M620-H624 WeakPolarHBondContact CG-CE1 3.19Å; M620-H624 PolarHBondContact O-N 3.17Å; M620-H624 PolarHBondContact O-ND1 2.8Å; M620-S871 VanDerWaalsContact SD-CB 3.58Å; M620-T872 HydrophobicContact CE-CG2 3.43Å; M620-T872 VanDerWaalsContact CE-CG2 3.43Å; M620-L875 HydrophobicContact CB-CD1 4.49Å; M620-L875 HydrophobicContact CE-CD1 3.42Å; M620-L875 VanDerWaalsContact CE-CD1 3.42Å; M620-L875 HydrophobicContact SD-CD1 3.29Å; M620-L875 WeakPolarHBondContact SD-CD1 3.34Å
621I85.1Confident85.6Confident70 Ų7070 Ų7036%0.35931%0.313SS..Hα-helixtrans-60.8-48.1176.3-68.4166.4000110.7R617 I619 R623 H624 E625R617-I621 HydrophobicContact CG-CD1 4.1Å; R617-I621 WeakPolarHBondContact O-CG1 3.4Å; R617-I621 PolarHBondContact O-N 2.96Å; I619-I621 VanDerWaalsContact C-N 3.32Å; I619-I621 PolarHBondContact O-N 3.49Å; I621-R623 VanDerWaalsContact C-N 3.31Å; I621-R623 PolarHBondContact O-N 3.11Å; I621-H624 PolarHBondContact O-N 3.24Å; I621-E625 WeakPolarHBondContact O-CG 3.48Å; I621-E625 PolarHBondContact O-N 2.72Å
622K86.5Confident85.8Confident104 Ų10475.4 Ų75.445%0.45233%0.33SS..Hα-helixtrans-58.6-40.9175.9-77.3-172.1169.3-165.50112.9K618 I619 E625 V626K618-K622 PolarHBondContact O-N 2.93Å; I619-K622 PolarHBondContact O-N 3.07Å; K622-E625 WeakPolarHBondContact O-CB 3.43Å; K622-E625 PolarHBondContact O-N 3.33Å; K622-V626 WeakPolarHBondContact O-CG2 3.44Å; K622-V626 PolarHBondContact O-N 3.46Å
623R85.9Confident86.2Confident177 Ų17777.4 Ų77.467%0.66834%0.338SS*.Hα-helixtrans-61-46.1176.1-179.7-177.7169.8-171.5-3.1111.1I619 M620 I621 E625 V626 E627I619-R623 PolarHBondContact O-N 3.47Å; M620-R623 PolarHBondContact O-N 3.08Å; I621-R623 VanDerWaalsContact C-N 3.31Å; I621-R623 PolarHBondContact O-N 3.11Å; R623-E625 VanDerWaalsContact C-N 3.33Å; R623-E625 PolarHBondContact O-N 3.2Å; R623-V626 PolarHBondContact O-N 3.09Å; R623-E627 WeakPolarHBondContact O-CB 3.47Å; R623-E627 PolarHBondContact O-N 3.48Å
624H86.1Confident86.7Confident13 Ų1376.1 Ų76.16%0.0634%0.335CS..Hα-helixtrans-64.4-35.5176.6-65.3150.3000112.7M620 I621 E627 Q628 I868M620-H624 VanDerWaalsContact CG-CE1 3.42Å; M620-H624 WeakPolarHBondContact CG-CE1 3.19Å; M620-H624 PolarHBondContact O-N 3.17Å; M620-H624 PolarHBondContact O-ND1 2.8Å; I621-H624 PolarHBondContact O-N 3.24Å; H624-E627 IonicContact CD2-OE2 3.47Å; H624-E627 PolarHBondContact O-N 2.89Å; H624-Q628 WeakPolarHBondContact O-CB 3.41Å; H624-Q628 WeakPolarHBondContact O-CG 3.46Å; H624-Q628 PolarHBondContact O-N 3.32Å; H624-I868 HydrophobicContact CB-CD1 4.16Å; H624-I868 HydrophobicContact CB-CG1 3.89Å
625E86.8Confident86.9Confident113 Ų11370.1 Ų70.153%0.52831%0.309SS..Hα-helixtrans-62.7-44.8174.1-73.6170.1178.500111.7I621 K622 R623 Q628 Q629I621-E625 WeakPolarHBondContact O-CG 3.48Å; I621-E625 PolarHBondContact O-N 2.72Å; K622-E625 WeakPolarHBondContact O-CB 3.43Å; K622-E625 PolarHBondContact O-N 3.33Å; R623-E625 VanDerWaalsContact C-N 3.33Å; R623-E625 PolarHBondContact O-N 3.2Å; E625-Q628 WeakPolarHBondContact O-CB 3.32Å; E625-Q628 PolarHBondContact O-N 3.38Å; E625-Q629 PolarHBondContact O-N 3.38Å
626V88.3Confident87.2Confident34 Ų3472 Ų7221%0.20632%0.321CS..Hα-helixtrans-64.7-41.4175.9173.40000111.1I518 E522 K622 R623 Q629 N630I518-V626 HydrophobicContact CG2-CG1 4.08Å; E522-V626 HydrophobicContact CG-CG2 4.34Å; K622-V626 WeakPolarHBondContact O-CG2 3.44Å; K622-V626 PolarHBondContact O-N 3.46Å; R623-V626 PolarHBondContact O-N 3.09Å; V626-Q629 PolarHBondContact O-N 2.92Å; V626-N630 VanDerWaalsContact O-CG 3.32Å; V626-N630 PolarHBondContact O-N 3.37Å
627E85.8Confident87.5Confident68 Ų6869.6 Ų69.632%0.31831%0.31SS..Hα-helixtrans-64.3-41.8176.6-169.8171.1-165.600112.1R623 H624 Q629 N630 I631 L864R623-E627 WeakPolarHBondContact O-CB 3.47Å; R623-E627 PolarHBondContact O-N 3.48Å; H624-E627 IonicContact CD2-OE2 3.47Å; H624-E627 PolarHBondContact O-N 2.89Å; E627-Q629 VanDerWaalsContact C-N 3.35Å; E627-Q629 PolarHBondContact O-N 3.5Å; E627-N630 PolarHBondContact O-N 2.81Å; E627-I631 HydrophobicContact CG-CD1 4.16Å; E627-I631 WeakPolarHBondContact O-CG1 3.28Å; E627-I631 PolarHBondContact O-N 2.58Å; E627-L864 HydrophobicContact CB-CD1 4.43Å; E627-L864 HydrophobicContact CG-CD1 3.85Å
628Q87.3Confident87.8Confident57 Ų5765.7 Ų65.727%0.26630%0.297SS..Hα-helixtrans-57.7-45.2170.9-82.9-175.813.300112.4H624 E625 R632 L864 I868H624-Q628 WeakPolarHBondContact O-CB 3.41Å; H624-Q628 WeakPolarHBondContact O-CG 3.46Å; H624-Q628 PolarHBondContact O-N 3.32Å; E625-Q628 WeakPolarHBondContact O-CB 3.32Å; E625-Q628 PolarHBondContact O-N 3.38Å; Q628-R632 VanDerWaalsContact O-CG 3.29Å; Q628-R632 WeakPolarHBondContact O-CG 3.37Å; Q628-R632 PolarHBondContact O-N 3.46Å; Q628-L864 HydrophobicContact CB-CD2 4.14Å; Q628-L864 HydrophobicContact CG-CD2 3.33Å; Q628-L864 HydrophobicContact CG-CG 4.12Å; Q628-I868 HydrophobicContact CG-CD1 4.43Å
629Q89.3Confident88.1Confident87 Ų8764.5 Ų64.541%0.40729%0.289SS..Hα-helixtrans-66.4-43.4179.9-174.960.219.100111.7E625 V626 E627 I631 R632 E633E625-Q629 PolarHBondContact O-N 3.38Å; V626-Q629 PolarHBondContact O-N 2.92Å; E627-Q629 VanDerWaalsContact C-N 3.35Å; E627-Q629 PolarHBondContact O-N 3.5Å; Q629-I631 PolarHBondContact O-N 2.98Å; Q629-R632 PolarHBondContact O-N 3.3Å; Q629-E633 PolarHBondContact NE2-OE1 3.49Å; Q629-E633 WeakPolarHBondContact O-CG 3.26Å; Q629-E633 PolarHBondContact O-N 2.81Å
630N89.4Confident88.3Confident13 Ų1364.5 Ų64.57%0.0729%0.291CS..Hα-helixtrans-61.2-44.5177.3-73.8-12.6000112.1Q515 V626 E627 R632 E633 E634Q515-N630 HydrophobicContact CG-CB 4.19Å; Q515-N630 PolarHBondContact NE2-O 3.12Å; Q515-N630 VanDerWaalsContact NE2-O 3.09Å; V626-N630 VanDerWaalsContact O-CG 3.32Å; V626-N630 PolarHBondContact O-N 3.37Å; E627-N630 PolarHBondContact O-N 2.81Å; N630-R632 VanDerWaalsContact C-N 3.34Å; N630-R632 PolarHBondContact O-N 2.66Å; N630-E633 PolarHBondContact O-N 2.87Å; N630-E634 WeakPolarHBondContact O-CB 3.43Å; N630-E634 PolarHBondContact O-N 2.95Å
631I87.3Confident88.6Confident23 Ų2364 Ų6412%0.11829%0.288CS..Hα-helixtrans-63.6-40.4177.1-71166.1000110.9E627 Q629 E634 L635 R860 L864E627-I631 HydrophobicContact CG-CD1 4.16Å; E627-I631 WeakPolarHBondContact O-CG1 3.28Å; E627-I631 PolarHBondContact O-N 2.58Å; Q629-I631 PolarHBondContact O-N 2.98Å; I631-E634 PolarHBondContact O-N 2.88Å; I631-L635 HydrophobicContact CG2-CD1 3.7Å; I631-L635 HydrophobicContact CG2-CG 4.33Å; I631-L635 WeakPolarHBondContact O-CB 3.28Å; I631-L635 VanDerWaalsContact O-CG 3.24Å; I631-L635 WeakPolarHBondContact O-CG 3.21Å; I631-L635 PolarHBondContact O-N 2.88Å; I631-R860 HydrophobicContact CG2-CB 4.47Å; I631-R860 HydrophobicContact CG2-CG 4.01Å; I631-L864 HydrophobicContact CD1-CB 4.35Å; I631-L864 HydrophobicContact CD1-CD1 3.89Å; I631-L864 HydrophobicContact CD1-CD2 3.72Å; I631-L864 HydrophobicContact CD1-CG 4.22Å
632R87.9Confident88.8Confident145 Ų14563.5 Ų63.555%0.54728%0.284SS..Hα-helixtrans-63.6-45.1175.7-74.4173.6-176.7175.13112Q628 Q629 N630 N636Q628-R632 VanDerWaalsContact O-CG 3.29Å; Q628-R632 WeakPolarHBondContact O-CG 3.37Å; Q628-R632 PolarHBondContact O-N 3.46Å; Q629-R632 PolarHBondContact O-N 3.3Å; N630-R632 VanDerWaalsContact C-N 3.34Å; N630-R632 PolarHBondContact O-N 2.66Å; R632-N636 WeakPolarHBondContact O-CB 3.26Å; R632-N636 VanDerWaalsContact O-CG 3.28Å; R632-N636 PolarHBondContact O-N 3.43Å; R632-N636 PolarHBondContact O-ND2 2.91Å
633E90.4Very high89.1Confident58 Ų5862.9 Ų62.927%0.27128%0.282SS..Hα-helixtrans-63.2-44.1177.2-75.2-178.4-159.700111.7K514 Q629 N630 K637K514-E633 IonicContact NZ-OE2 3.61Å; Q629-E633 PolarHBondContact NE2-OE1 3.49Å; Q629-E633 WeakPolarHBondContact O-CG 3.26Å; Q629-E633 PolarHBondContact O-N 2.81Å; N630-E633 PolarHBondContact O-N 2.87Å; E633-K637 WeakPolarHBondContact O-CB 3.37Å; E633-K637 PolarHBondContact O-N 3.43Å
634E89.9Confident89.4Confident37 Ų3760 Ų6017%0.17328%0.278CS..Hα-helixtrans-60.6-50.5176.7-169-166.1159.200111.5N630 I631 N636 K637 K638 R860N630-E634 WeakPolarHBondContact O-CB 3.43Å; N630-E634 PolarHBondContact O-N 2.95Å; I631-E634 PolarHBondContact O-N 2.88Å; E634-N636 PolarHBondContact O-N 3.47Å; E634-K637 PolarHBondContact O-N 3.36Å; E634-K638 WeakPolarHBondContact O-CG 3.46Å; E634-K638 PolarHBondContact O-N 3.43Å; E634-K638 WeakPolarHBondContact OE1-CE 3.41Å; E634-K638 IonicContact OE1-NZ 2.84Å; E634-R860 IonicContact OE1-CZ 3.05Å; E634-R860 IonicContact OE1-NH1 3.51Å; E634-R860 IonicContact OE1-NH2 3.9Å; E634-R860 PolarHBondContact OE1-NH2 3.06Å; E634-R860 IonicContact OE2-CZ 3.51Å; E634-R860 IonicContact OE2-NE 2.84Å; E634-R860 IonicContact OE2-NH2 3.93Å; E634-R860 PolarHBondContact OE2-NH2 3.18Å
635L89.1Confident89.7Confident10 Ų1062.4 Ų62.45%0.05229%0.289CS..Hα-helixtrans-64.5-39.8-179.2-71.5170.7000112.5I631 R639 R857I631-L635 HydrophobicContact CG2-CD1 3.7Å; I631-L635 HydrophobicContact CG2-CG 4.33Å; I631-L635 WeakPolarHBondContact O-CB 3.28Å; I631-L635 VanDerWaalsContact O-CG 3.24Å; I631-L635 WeakPolarHBondContact O-CG 3.21Å; I631-L635 PolarHBondContact O-N 2.88Å; L635-R639 WeakPolarHBondContact O-CB 3.45Å; L635-R639 PolarHBondContact O-N 3.08Å; L635-R857 HydrophobicContact CD1-CB 4.24Å; L635-R857 HydrophobicContact CD1-CG 4.05Å; L635-R857 HydrophobicContact CD2-CB 4.39Å
636N90.9Very high90Very high69 Ų6957.5 Ų57.537%0.36927%0.266SS..Hα-helixtrans-64.8-42175-77.2-22.6000111.3R632 E634 R639 T640R632-N636 WeakPolarHBondContact O-CB 3.26Å; R632-N636 VanDerWaalsContact O-CG 3.28Å; R632-N636 PolarHBondContact O-N 3.43Å; R632-N636 PolarHBondContact O-ND2 2.91Å; E634-N636 PolarHBondContact O-N 3.47Å; N636-R639 PolarHBondContact O-N 3.12Å; N636-T640 WeakPolarHBondContact O-CG2 3.29Å; N636-T640 PolarHBondContact O-N 3.4Å; N636-T640 PolarHBondContact O-OG1 3.27Å
637K91.4Very high90.4Very high60 Ų6058 Ų5826%0.26127%0.274SS..Hα-helixtrans-64.4-45.8178.2-170.364.2176.1170.60111.2E507 L508 L511 E633 E634 R639 T640 Q641E507-K637 IonicContact OE1-NZ 3.6Å; E507-K637 PolarHBondContact OE1-NZ 3.06Å; E507-K637 WeakPolarHBondContact OE2-CE 3.45Å; E507-K637 IonicContact OE2-NZ 3.03Å; E507-K637 PolarHBondContact OE2-NZ 3.19Å; L508-K637 HydrophobicContact CD2-CG 4.45Å; L511-K637 HydrophobicContact CD2-CB 3.88Å; L511-K637 HydrophobicContact CD2-CG 4.12Å; E633-K637 WeakPolarHBondContact O-CB 3.37Å; E633-K637 PolarHBondContact O-N 3.43Å; E634-K637 PolarHBondContact O-N 3.36Å; K637-R639 VanDerWaalsContact C-N 3.32Å; K637-R639 PolarHBondContact O-N 3.49Å; K637-T640 WeakPolarHBondContact CA-OG1 3.46Å; K637-T640 PolarHBondContact O-N 3.24Å; K637-T640 PolarHBondContact O-OG1 3.49Å; K637-Q641 WeakPolarHBondContact O-CG 3.43Å; K637-Q641 PolarHBondContact O-N 2.82Å
638K89.9Confident90.8Very high51 Ų5155.4 Ų55.422%0.22226%0.262CS..Hα-helixtrans-57.3-43.8173.5-74.4-171.9-176.1-173.40112.1L508 E634 Q641 K642 L853 E856L508-K638 HydrophobicContact CD2-CG 4.35Å; E634-K638 WeakPolarHBondContact O-CG 3.46Å; E634-K638 PolarHBondContact O-N 3.43Å; E634-K638 WeakPolarHBondContact OE1-CE 3.41Å; E634-K638 IonicContact OE1-NZ 2.84Å; K638-Q641 PolarHBondContact O-N 3.2Å; K638-K642 PolarHBondContact O-N 2.9Å; K638-L853 HydrophobicContact CB-CD1 4.49Å; K638-E856 IonicContact NZ-OE1 3.8Å; K638-E856 PolarHBondContact NZ-OE1 2.97Å; K638-E856 IonicContact NZ-OE2 2.92Å
639R90.3Very high91.1Very high92 Ų9254.8 Ų54.835%0.34726%0.26SS..Hα-helixtrans-58.5-49.7176.3-169.3-172.671-150.4-6.7111.4L635 N636 K637 Q641 K642 E643 L853L635-R639 WeakPolarHBondContact O-CB 3.45Å; L635-R639 PolarHBondContact O-N 3.08Å; N636-R639 PolarHBondContact O-N 3.12Å; K637-R639 VanDerWaalsContact C-N 3.32Å; K637-R639 PolarHBondContact O-N 3.49Å; R639-Q641 VanDerWaalsContact C-N 3.31Å; R639-Q641 PolarHBondContact O-N 2.83Å; R639-K642 PolarHBondContact O-N 2.92Å; R639-E643 WeakPolarHBondContact CD-OE1 3.37Å; R639-E643 HydrophobicContact CG-CG 4.45Å; R639-E643 WeakPolarHBondContact CG-OE1 3.48Å; R639-E643 IonicContact NE-OE1 2.78Å; R639-E643 PolarHBondContact NE-OE1 2.78Å; R639-E643 WeakPolarHBondContact O-CG 3.09Å; R639-E643 PolarHBondContact O-N 2.95Å; R639-L853 HydrophobicContact CB-CD2 4.04Å; R639-L853 HydrophobicContact CG-CD2 4.03Å
640T91.3Very high91.4Very high46 Ų4652.9 Ų52.928%0.28225%0.252SS..Hα-helixtrans-62.7-36179.554.10000113.1N636 K637 M644N636-T640 WeakPolarHBondContact O-CG2 3.29Å; N636-T640 PolarHBondContact O-N 3.4Å; N636-T640 PolarHBondContact O-OG1 3.27Å; K637-T640 WeakPolarHBondContact CA-OG1 3.46Å; K637-T640 PolarHBondContact O-N 3.24Å; K637-T640 PolarHBondContact O-OG1 3.49Å; T640-M644 WeakPolarHBondContact O-CG 3.39Å; T640-M644 PolarHBondContact O-N 3.5Å
641Q91.3Very high91.7Very high17 Ų1759.5 Ų59.58%0.07928%0.276CS..Hα-helixtrans-66.8-41.7175.7-74178-17.500111.6S504 E507 K637 K638 R639 M644 E645S504-Q641 PolarHBondContact O-NE2 3.32Å; S504-Q641 VanDerWaalsContact O-NE2 3.09Å; E507-Q641 PolarHBondContact OE2-NE2 2.85Å; K637-Q641 WeakPolarHBondContact O-CG 3.43Å; K637-Q641 PolarHBondContact O-N 2.82Å; K638-Q641 PolarHBondContact O-N 3.2Å; R639-Q641 VanDerWaalsContact C-N 3.31Å; R639-Q641 PolarHBondContact O-N 2.83Å; Q641-M644 PolarHBondContact O-N 3.33Å; Q641-E645 PolarHBondContact O-N 3.19Å
642K90.6Very high92.1Very high60 Ų6059.2 Ų59.226%0.26127%0.274SS..Hα-helixtrans-65.3-42.3175.2-83.3-74.1172.2-166.30112.6K638 R639 M644 E645 H646 E849 L853K638-K642 PolarHBondContact O-N 2.9Å; R639-K642 PolarHBondContact O-N 2.92Å; K642-M644 VanDerWaalsContact C-N 3.31Å; K642-M644 PolarHBondContact O-N 2.86Å; K642-E645 WeakPolarHBondContact CD-OE2 3.38Å; K642-E645 WeakPolarHBondContact CE-OE2 3.34Å; K642-E645 IonicContact NZ-OE1 2.87Å; K642-E645 IonicContact NZ-OE2 3.52Å; K642-E645 PolarHBondContact NZ-OE2 2.8Å; K642-E645 PolarHBondContact O-N 2.81Å; K642-H646 PolarHBondContact O-N 2.96Å; K642-H646 PolarHBondContact O-ND1 3.5Å; K642-E849 IonicContact NZ-OE1 2.64Å; K642-E849 IonicContact NZ-OE2 3.9Å; K642-E849 PolarHBondContact NZ-OE2 3.04Å; K642-L853 HydrophobicContact CB-CD1 4.25Å; K642-L853 HydrophobicContact CG-CD1 3.98Å
643E91.6Very high92.5Very high90 Ų9052.9 Ų52.942%0.42125%0.252SS..Hα-helixtrans-58.8-41.1173.9-72.5165.4-177.100111.8R639 A647R639-E643 WeakPolarHBondContact CD-OE1 3.37Å; R639-E643 HydrophobicContact CG-CG 4.45Å; R639-E643 WeakPolarHBondContact CG-OE1 3.48Å; R639-E643 IonicContact NE-OE1 2.78Å; R639-E643 PolarHBondContact NE-OE1 2.78Å; R639-E643 WeakPolarHBondContact O-CG 3.09Å; R639-E643 PolarHBondContact O-N 2.95Å; E643-A647 WeakPolarHBondContact O-CB 3.45Å; E643-A647 PolarHBondContact O-N 3.05Å
644M92.1Very high92.8Very high116 Ų11653.8 Ų53.857%0.57126%0.256SS*.Hα-helixtrans-66.7-41.6175.3-73.9177.4175.500112.7T640 Q641 K642 A647 M648T640-M644 WeakPolarHBondContact O-CG 3.39Å; T640-M644 PolarHBondContact O-N 3.5Å; Q641-M644 PolarHBondContact O-N 3.33Å; K642-M644 VanDerWaalsContact C-N 3.31Å; K642-M644 PolarHBondContact O-N 2.86Å; M644-A647 PolarHBondContact O-N 2.85Å; M644-M648 VanDerWaalsContact O-CB 3.31Å; M644-M648 WeakPolarHBondContact O-CB 3.26Å; M644-M648 PolarHBondContact O-N 2.95Å
645E92.6Very high93.1Very high64 Ų6454.3 Ų54.330%0.29926%0.263SS..Hα-helixtrans-61.3-45.7175.3-173.7-177.6-177.900111.2Q641 K642 M648 L649Q641-E645 PolarHBondContact O-N 3.19Å; K642-E645 WeakPolarHBondContact CD-OE2 3.38Å; K642-E645 WeakPolarHBondContact CE-OE2 3.34Å; K642-E645 IonicContact NZ-OE1 2.87Å; K642-E645 IonicContact NZ-OE2 3.52Å; K642-E645 PolarHBondContact NZ-OE2 2.8Å; K642-E645 PolarHBondContact O-N 2.81Å; E645-M648 WeakPolarHBondContact O-CB 3.34Å; E645-M648 PolarHBondContact O-N 3.3Å; E645-L649 HydrophobicContact CG-CD1 4.43Å; E645-L649 WeakPolarHBondContact O-CG 3.28Å; E645-L649 PolarHBondContact O-N 2.92Å
646H94.2Very high93.5Very high11 Ų1155 Ų555%0.05127%0.268CS..Hα-helixtrans-63.4-46.1177.5-63.3165.8000112.1K642 M648 L649 I650 I846 E849K642-H646 PolarHBondContact O-N 2.96Å; K642-H646 PolarHBondContact O-ND1 3.5Å; H646-M648 PolarHBondContact O-N 3.34Å; H646-L649 PolarHBondContact O-N 3.32Å; H646-I650 WeakPolarHBondContact O-CG1 3.33Å; H646-I650 PolarHBondContact O-N 3.06Å; H646-I846 HydrophobicContact CB-CD1 4.13Å; H646-I846 HydrophobicContact CB-CG1 4.14Å; H646-I846 HydrophobicContact CB-CG2 4.36Å; H646-E849 IonicContact CD2-OE2 2.78Å; H646-E849 IonicContact CE1-OE2 3.45Å; H646-E849 IonicContact NE2-OE2 2.91Å; H646-E849 PolarHBondContact NE2-OE2 2.98Å
647A94.8Very high93.7Very high44 Ų4456.3 Ų56.336%0.36427%0.268SS..Hα-helixtrans-60.6-36.5175.900000112.1E643 M644 R651E643-A647 WeakPolarHBondContact O-CB 3.45Å; E643-A647 PolarHBondContact O-N 3.05Å; M644-A647 PolarHBondContact O-N 2.85Å; A647-R651 WeakPolarHBondContact O-CG 3.4Å; A647-R651 PolarHBondContact O-N 3.47Å; A647-R651 VanDerWaalsContact O-N 3.17Å
648M94.9Very high93.9Very high13 Ų1358.4 Ų58.46%0.06428%0.278CS..Hα-helixtrans-66.9-47.6175.6176.5178.5-175.300112.3E496 V497 H500 M644 E645 H646 I650 R651 H652E496-M648 HydrophobicContact CB-CE 3.33Å; E496-M648 WeakPolarHBondContact O-CE 3.39Å; V497-M648 HydrophobicContact CB-CE 4.33Å; V497-M648 HydrophobicContact CG2-CE 3.82Å; V497-M648 VanDerWaalsContact N-CE 3.26Å; H500-M648 HydrophobicContact CB-CE 4.46Å; H500-M648 HydrophobicContact CB-SD 3.87Å; M644-M648 VanDerWaalsContact O-CB 3.31Å; M644-M648 WeakPolarHBondContact O-CB 3.26Å; M644-M648 PolarHBondContact O-N 2.95Å; E645-M648 WeakPolarHBondContact O-CB 3.34Å; E645-M648 PolarHBondContact O-N 3.3Å; H646-M648 PolarHBondContact O-N 3.34Å; M648-I650 VanDerWaalsContact C-N 3.28Å; M648-I650 PolarHBondContact O-N 3.18Å; M648-R651 PolarHBondContact O-N 3.49Å; M648-R651 VanDerWaalsContact O-N 3.16Å; M648-H652 WeakPolarHBondContact CE-CE1 3.48Å; M648-H652 WeakPolarHBondContact CE-NE2 3.24Å; M648-H652 PolarHBondContact O-CD2 3.45Å; M648-H652 VanDerWaalsContact O-CD2 3.29Å; M648-H652 PolarHBondContact O-N 3.03Å
649L94.8Very high94.3Very high45 Ų4556.3 Ų56.324%0.23627%0.269CS..Hα-helixtrans-60.7-37.7177.7-70171.9000112.1E645 H646 H652 D653 L842E645-L649 HydrophobicContact CG-CD1 4.43Å; E645-L649 WeakPolarHBondContact O-CG 3.28Å; E645-L649 PolarHBondContact O-N 2.92Å; H646-L649 PolarHBondContact O-N 3.32Å; L649-H652 WeakPolarHBondContact O-CB 3.27Å; L649-H652 PolarHBondContact O-N 2.91Å; L649-D653 PolarHBondContact O-N 2.78Å; L649-L842 HydrophobicContact CB-CD1 3.92Å; L649-L842 HydrophobicContact CB-CD2 4.47Å; L649-L842 HydrophobicContact CD1-CD1 4.17Å
650I95.1Very high94.6Very high47 Ų4752.9 Ų52.924%0.24126%0.257CS..Hα-helixtrans-61.9-46.8174.2-71.2167.8000110.9H646 M648 H652 D653 E654 L842 I846H646-I650 WeakPolarHBondContact O-CG1 3.33Å; H646-I650 PolarHBondContact O-N 3.06Å; M648-I650 VanDerWaalsContact C-N 3.28Å; M648-I650 PolarHBondContact O-N 3.18Å; I650-H652 VanDerWaalsContact C-N 3.31Å; I650-H652 PolarHBondContact O-N 2.95Å; I650-D653 PolarHBondContact O-N 2.9Å; I650-E654 WeakPolarHBondContact CG2-OE1 3.3Å; I650-E654 WeakPolarHBondContact O-CG 3.08Å; I650-E654 PolarHBondContact O-N 3.04Å; I650-L842 HydrophobicContact CG1-CD2 4.43Å; I650-I846 HydrophobicContact CD1-CD1 4.08Å; I650-I846 HydrophobicContact CG1-CD1 4.07Å
651R95.8Very high94.9Very high151 Ų15153.8 Ų53.857%0.5726%0.256SS*.Hα-helixtrans-63.4-36.9176-71.5-170.1-56.8-121.5-0.3112.5A647 M648 E654 S655A647-R651 WeakPolarHBondContact O-CG 3.4Å; A647-R651 PolarHBondContact O-N 3.47Å; A647-R651 VanDerWaalsContact O-N 3.17Å; M648-R651 PolarHBondContact O-N 3.49Å; M648-R651 VanDerWaalsContact O-N 3.16Å; R651-E654 PolarHBondContact O-N 2.85Å; R651-S655 WeakPolarHBondContact O-CB 3.39Å; R651-S655 PolarHBondContact O-N 2.9Å
652H96Very high95.1Very high17 Ų1758.5 Ų58.58%0.07927%0.273CS..Hα-helixtrans-63.9-45.8176.5-77-157.8000111.2L493 E496 M648 L649 I650 S655 T656L493-H652 HydrophobicContact CD1-CB 4.02Å; L493-H652 HydrophobicContact CD2-CB 4.31Å; L493-H652 PolarHBondContact O-CE1 3.18Å; L493-H652 VanDerWaalsContact O-CE1 3.32Å; E496-H652 IonicContact OE2-CD2 2.8Å; E496-H652 IonicContact OE2-CE1 2.75Å; E496-H652 IonicContact OE2-NE2 2.62Å; E496-H652 PolarHBondContact OE2-NE2 2.89Å; M648-H652 WeakPolarHBondContact CE-CE1 3.48Å; M648-H652 WeakPolarHBondContact CE-NE2 3.24Å; M648-H652 PolarHBondContact O-CD2 3.45Å; M648-H652 VanDerWaalsContact O-CD2 3.29Å; M648-H652 PolarHBondContact O-N 3.03Å; L649-H652 WeakPolarHBondContact O-CB 3.27Å; L649-H652 PolarHBondContact O-N 2.91Å; I650-H652 VanDerWaalsContact C-N 3.31Å; I650-H652 PolarHBondContact O-N 2.95Å; H652-S655 PolarHBondContact O-N 3.19Å; H652-T656 WeakPolarHBondContact O-CB 3.47Å; H652-T656 PolarHBondContact O-N 3.13Å; H652-T656 PolarHBondContact O-OG1 2.88Å
653D95.5Very high95.4Very high13 Ų1356.8 Ų56.87%0.0727%0.266CS..Hα-helixtrans-61.4-45.2174.4174.760.7000111.9L649 I650 T656 R657 R838 R839 L842L649-D653 PolarHBondContact O-N 2.78Å; I650-D653 PolarHBondContact O-N 2.9Å; D653-T656 PolarHBondContact O-N 2.91Å; D653-R657 WeakPolarHBondContact O-CB 3.38Å; D653-R657 PolarHBondContact O-N 3.13Å; D653-R838 IonicContact OD1-CZ 2.71Å; D653-R838 VanDerWaalsContact OD1-CZ 3.29Å; D653-R838 IonicContact OD1-NE 3.17Å; D653-R838 PolarHBondContact OD1-NE 3Å; D653-R838 IonicContact OD1-NH2 3.84Å; D653-R838 PolarHBondContact OD1-NH2 2.9Å; D653-R839 WeakPolarHBondContact OD2-CD 3.43Å; D653-R839 IonicContact OD2-NH1 2.78Å; D653-R839 PolarHBondContact OD2-NH1 2.93Å; D653-L842 HydrophobicContact CB-CD2 3.93Å
654E95.9Very high95.7Very high77 Ų7753.7 Ų53.736%0.3625%0.252SS..Hα-helixtrans-61.1-46.6177-76.7170.2-171.800112.3I650 R651 T656 R657 E658 R839I650-E654 WeakPolarHBondContact CG2-OE1 3.3Å; I650-E654 WeakPolarHBondContact O-CG 3.08Å; I650-E654 PolarHBondContact O-N 3.04Å; R651-E654 PolarHBondContact O-N 2.85Å; E654-T656 PolarHBondContact O-N 3.11Å; E654-R657 WeakPolarHBondContact O-CB 3.38Å; E654-R657 PolarHBondContact O-N 2.91Å; E654-E658 WeakPolarHBondContact O-CG 3.45Å; E654-E658 PolarHBondContact O-N 3.06Å; E654-R839 IonicContact OE1-NH1 3.74Å
655S96.9Very high95.9Very high48 Ų4854 Ų5434%0.33625%0.252SS..Hα-helixtrans-64.2-40.8177.6-174.10000112.1H489 R651 H652 L659H489-S655 PolarHBondContact NE2-OG 3.45Å; R651-S655 WeakPolarHBondContact O-CB 3.39Å; R651-S655 PolarHBondContact O-N 2.9Å; H652-S655 PolarHBondContact O-N 3.19Å; S655-L659 PolarHBondContact O-N 3.49Å; S655-L659 VanDerWaalsContact O-N 3.13Å
656T96.7Very high96.1Very high23 Ų2353.7 Ų53.714%0.14126%0.255CS..Hα-helixtrans-64.2-46176-540000110.5M486 H489 H652 D653 E654 L659 E660M486-T656 HydrophobicContact CE-CG2 4.41Å; H489-T656 PolarHBondContact CE1-OG1 2.67Å; H652-T656 WeakPolarHBondContact O-CB 3.47Å; H652-T656 PolarHBondContact O-N 3.13Å; H652-T656 PolarHBondContact O-OG1 2.88Å; D653-T656 PolarHBondContact O-N 2.91Å; E654-T656 PolarHBondContact O-N 3.11Å; T656-L659 PolarHBondContact O-N 3.21Å; T656-E660 HydrophobicContact CG2-CG 4.4Å; T656-E660 WeakPolarHBondContact O-CG 3.18Å; T656-E660 PolarHBondContact O-N 2.89Å
657R96.3Very high96Very high98 Ų9854.2 Ų54.237%0.3726%0.258SS..Hα-helixtrans-56-53.4176.9-179.3-175.775.1115.22.1110.9D653 E654 L659 E660 Y661 V835D653-R657 WeakPolarHBondContact O-CB 3.38Å; D653-R657 PolarHBondContact O-N 3.13Å; E654-R657 WeakPolarHBondContact O-CB 3.38Å; E654-R657 PolarHBondContact O-N 2.91Å; R657-L659 VanDerWaalsContact C-N 3.26Å; R657-L659 PolarHBondContact O-N 3.2Å; R657-E660 PolarHBondContact O-N 3.29Å; R657-Y661 HydrophobicContact CG-CD2 3.74Å; R657-Y661 HydrophobicContact CG-CE2 3.57Å; R657-Y661 VanDerWaalsContact O-CD2 3.24Å; R657-Y661 WeakPolarHBondContact O-CD2 3.39Å; R657-Y661 PolarHBondContact O-N 3.09Å; R657-V835 HydrophobicContact CB-CG1 4.35Å; R657-V835 HydrophobicContact CG-CG1 3.63Å; R657-V835 HydrophobicContact CG-CG2 4.25Å
658E96.3Very high96Very high104 Ų10453.4 Ų53.449%0.48625%0.247SC..Hα-helixtrans-57.7-39.3179.8-74.8178.1-175.400112.7E654 R662E654-E658 WeakPolarHBondContact O-CG 3.45Å; E654-E658 PolarHBondContact O-N 3.06Å; E658-R662 VanDerWaalsContact O-CB 3.32Å; E658-R662 WeakPolarHBondContact O-CB 3.36Å; E658-R662 PolarHBondContact O-N 3.43Å; E658-R662 VanDerWaalsContact O-N 3.08Å
659L97Very high96Very high6 Ų658.7 Ų58.73%0.03127%0.269CS..Hα-helixtrans-64-51.3174.8-179.558.8000111.2E485 M486 H489 S655 T656 R657 Y661 R662 Q663E485-L659 HydrophobicContact CG-CD1 4.01Å; E485-L659 WeakPolarHBondContact OE1-CD1 3.41Å; M486-L659 HydrophobicContact CE-CD2 4.5Å; M486-L659 HydrophobicContact SD-CD2 3.43Å; M486-L659 WeakPolarHBondContact SD-CD2 3.28Å; M486-L659 HydrophobicContact SD-CG 3.66Å; H489-L659 HydrophobicContact CB-CD2 3.53Å; S655-L659 PolarHBondContact O-N 3.49Å; S655-L659 VanDerWaalsContact O-N 3.13Å; T656-L659 PolarHBondContact O-N 3.21Å; R657-L659 VanDerWaalsContact C-N 3.26Å; R657-L659 PolarHBondContact O-N 3.2Å; L659-Y661 VanDerWaalsContact C-N 3.34Å; L659-Y661 PolarHBondContact O-N 2.81Å; L659-R662 WeakPolarHBondContact O-CB 3.35Å; L659-R662 PolarHBondContact O-N 3.29Å; L659-R662 VanDerWaalsContact O-N 3.09Å; L659-Q663 HydrophobicContact CD1-CG 3.88Å; L659-Q663 HydrophobicContact CG-CG 4.28Å; L659-Q663 VanDerWaalsContact O-CG 3.27Å; L659-Q663 WeakPolarHBondContact O-CG 3.32Å; L659-Q663 PolarHBondContact O-N 2.91Å
660E96.6Very high96Very high20 Ų2058.4 Ų58.49%0.09327%0.267CS..Hα-helixtrans-55.8-44.9179.4-69.6174.6115.800112.6T656 R657 Q663 L664 L831 R834 R838T656-E660 HydrophobicContact CG2-CG 4.4Å; T656-E660 WeakPolarHBondContact O-CG 3.18Å; T656-E660 PolarHBondContact O-N 2.89Å; R657-E660 PolarHBondContact O-N 3.29Å; E660-Q663 PolarHBondContact O-N 3.11Å; E660-L664 WeakPolarHBondContact O-CB 3.48Å; E660-L664 PolarHBondContact O-N 3Å; E660-L831 HydrophobicContact CB-CD1 3.92Å; E660-L831 HydrophobicContact CB-CD2 4.27Å; E660-R834 IonicContact OE1-CZ 3.69Å; E660-R834 IonicContact OE1-NE 2.85Å; E660-R834 IonicContact OE1-NH2 3.09Å; E660-R834 PolarHBondContact OE1-NH2 3.22Å; E660-R838 IonicContact OE1-NH1 3.75Å; E660-R838 PolarHBondContact OE1-NH1 3.44Å; E660-R838 IonicContact OE2-CZ 2.83Å; E660-R838 IonicContact OE2-NH1 3.85Å; E660-R838 PolarHBondContact OE2-NH1 3.22Å; E660-R838 IonicContact OE2-NH2 3.73Å; E660-R838 PolarHBondContact OE2-NH2 3.34Å; E660-R838 VanDerWaalsContact OE2-NH2 3.09Å
661Y97.3Very high95.8Very high66 Ų6658.2 Ų58.226%0.25926%0.264SS..Hα-helixtrans-65.5-40.8176.5-81.3-81000112.4R657 L659 L664 H665 L828 L831 E832 V835R657-Y661 HydrophobicContact CG-CD2 3.74Å; R657-Y661 HydrophobicContact CG-CE2 3.57Å; R657-Y661 VanDerWaalsContact O-CD2 3.24Å; R657-Y661 WeakPolarHBondContact O-CD2 3.39Å; R657-Y661 PolarHBondContact O-N 3.09Å; L659-Y661 VanDerWaalsContact C-N 3.34Å; L659-Y661 PolarHBondContact O-N 2.81Å; Y661-L664 PolarHBondContact O-N 3.2Å; Y661-H665 WeakPolarHBondContact O-CB 3.32Å; Y661-H665 PolarHBondContact O-N 2.87Å; Y661-L828 HydrophobicContact CD1-CD1 4.03Å; Y661-L828 HydrophobicContact CE1-CD1 3.74Å; Y661-L831 HydrophobicContact CD1-CD2 3.92Å; Y661-L831 HydrophobicContact CD2-CD2 4.37Å; Y661-L831 HydrophobicContact CE1-CD2 4.1Å; Y661-L831 HydrophobicContact CE1-CG 4.49Å; Y661-L831 HydrophobicContact CE2-CD2 4.5Å; Y661-L831 HydrophobicContact CG-CD2 4.07Å; Y661-E832 HydrophobicContact CE1-CG 4.24Å; Y661-E832 WeakPolarHBondContact OH-CG 3.28Å; Y661-V835 HydrophobicContact CE2-CG2 4.24Å
662R97.2Very high95.7Very high116 Ų11652.7 Ų52.744%0.43825%0.245SC..Hα-helixtrans-63.9-42.4177.8-169.6-170.9-47.3105.711.6111.5E658 L659 H665 T666E658-R662 VanDerWaalsContact O-CB 3.32Å; E658-R662 WeakPolarHBondContact O-CB 3.36Å; E658-R662 PolarHBondContact O-N 3.43Å; E658-R662 VanDerWaalsContact O-N 3.08Å; L659-R662 WeakPolarHBondContact O-CB 3.35Å; L659-R662 PolarHBondContact O-N 3.29Å; L659-R662 VanDerWaalsContact O-N 3.09Å; R662-H665 PolarHBondContact O-N 2.94Å; R662-T666 WeakPolarHBondContact O-CB 3.45Å; R662-T666 PolarHBondContact O-N 3.14Å; R662-T666 PolarHBondContact O-OG1 3.45Å
663Q96.8Very high95.5Very high23 Ų2355 Ų5511%0.10726%0.258CS..Hα-helixtrans-65.9-46.4178.5-67-166.8-23.500111.3L482 E485 L659 E660 H665 T666 L667L482-Q663 HydrophobicContact CB-CG 4.37Å; L482-Q663 HydrophobicContact CD1-CB 4.26Å; L482-Q663 HydrophobicContact CD2-CB 3.98Å; L482-Q663 HydrophobicContact CD2-CG 3.73Å; L482-Q663 HydrophobicContact CG-CB 4.48Å; L482-Q663 HydrophobicContact CG-CG 4.48Å; L482-Q663 PolarHBondContact O-NE2 2.63Å; E485-Q663 PolarHBondContact OE2-NE2 3.03Å; L659-Q663 HydrophobicContact CD1-CG 3.88Å; L659-Q663 HydrophobicContact CG-CG 4.28Å; L659-Q663 VanDerWaalsContact O-CG 3.27Å; L659-Q663 WeakPolarHBondContact O-CG 3.32Å; L659-Q663 PolarHBondContact O-N 2.91Å; E660-Q663 PolarHBondContact O-N 3.11Å; Q663-H665 PolarHBondContact O-N 2.87Å; Q663-T666 PolarHBondContact O-N 2.78Å; Q663-L667 PolarHBondContact O-N 3.49Å
664L96.3Very high95.2Very high26 Ų2654.9 Ų54.914%0.13626%0.257CS..Hα-helixtrans-57.8-48.9175.1-178.662.5000110.9E660 Y661 T666 L667 Q668 E827 L828 L831E660-L664 WeakPolarHBondContact O-CB 3.48Å; E660-L664 PolarHBondContact O-N 3Å; Y661-L664 PolarHBondContact O-N 3.2Å; L664-T666 VanDerWaalsContact C-N 3.32Å; L664-T666 PolarHBondContact O-N 3Å; L664-L667 PolarHBondContact O-N 3.37Å; L664-Q668 HydrophobicContact CD1-CG 4.14Å; L664-Q668 HydrophobicContact CG-CG 4.35Å; L664-Q668 WeakPolarHBondContact O-CB 3.49Å; L664-Q668 VanDerWaalsContact O-CG 3.26Å; L664-Q668 WeakPolarHBondContact O-CG 3.23Å; L664-Q668 PolarHBondContact O-N 3.39Å; L664-E827 HydrophobicContact CD1-CB 4.12Å; L664-L828 HydrophobicContact CD2-CB 4.47Å; L664-L828 HydrophobicContact CD2-CD1 4.16Å; L664-L831 HydrophobicContact CB-CD2 4.2Å; L664-L831 HydrophobicContact CD2-CB 4.26Å; L664-L831 HydrophobicContact CD2-CD2 3.68Å
665H96.8Very high94.8Very high122 Ų12252.2 Ų52.257%0.56525%0.245SC*.Hα-helixtrans-58.8-42.7177.9-177.768.6000112.5Y661 R662 Q663 Q668 K669Y661-H665 WeakPolarHBondContact O-CB 3.32Å; Y661-H665 PolarHBondContact O-N 2.87Å; R662-H665 PolarHBondContact O-N 2.94Å; Q663-H665 PolarHBondContact O-N 2.87Å; H665-Q668 PolarHBondContact O-N 3.01Å; H665-K669 VanDerWaalsContact O-CB 3.28Å; H665-K669 WeakPolarHBondContact O-CB 3.31Å; H665-K669 PolarHBondContact O-N 3.47Å
666T96.7Very high94.6Very high57 Ų5757.5 Ų57.535%0.3526%0.258SS..Hα-helixtrans-64.4-42.5179.4-55.30000111.5L478 R662 Q663 L664 K669 L670L478-T666 HydrophobicContact CD1-CG2 4.18Å; L478-T666 HydrophobicContact CD2-CG2 4.17Å; R662-T666 WeakPolarHBondContact O-CB 3.45Å; R662-T666 PolarHBondContact O-N 3.14Å; R662-T666 PolarHBondContact O-OG1 3.45Å; Q663-T666 PolarHBondContact O-N 2.78Å; L664-T666 VanDerWaalsContact C-N 3.32Å; L664-T666 PolarHBondContact O-N 3Å; T666-K669 PolarHBondContact O-N 2.98Å; T666-L670 PolarHBondContact O-N 3.06Å; T666-L670 VanDerWaalsContact O-N 3.07Å
667L93.3Very high94.3Very high22 Ų2260.9 Ų60.912%0.11527%0.274CS..Hα-helixtrans-64.4-47.6176.7-17566.5000111.6L475 L478 E479 L482 Q663 L664 K669 L670 R671L475-L667 HydrophobicContact CD2-CD1 4.24Å; L478-L667 HydrophobicContact CD2-CD1 4.17Å; E479-L667 HydrophobicContact CG-CD1 3.86Å; L482-L667 HydrophobicContact CD1-CB 4.31Å; Q663-L667 PolarHBondContact O-N 3.49Å; L664-L667 PolarHBondContact O-N 3.37Å; L667-K669 VanDerWaalsContact C-N 3.32Å; L667-K669 PolarHBondContact O-N 3.39Å; L667-L670 PolarHBondContact O-N 2.97Å; L667-R671 WeakPolarHBondContact O-CG 3.38Å; L667-R671 PolarHBondContact O-N 3.16Å
668Q94.1Very high93.7Very high28 Ų2856.6 Ų56.613%0.13126%0.258CS..Hα-helixtrans-61.2-40.8177.8-71.4-176.9-11.100112L664 H665 R671 M672 H824 E827L664-Q668 HydrophobicContact CD1-CG 4.14Å; L664-Q668 HydrophobicContact CG-CG 4.35Å; L664-Q668 WeakPolarHBondContact O-CB 3.49Å; L664-Q668 VanDerWaalsContact O-CG 3.26Å; L664-Q668 WeakPolarHBondContact O-CG 3.23Å; L664-Q668 PolarHBondContact O-N 3.39Å; H665-Q668 PolarHBondContact O-N 3.01Å; Q668-R671 PolarHBondContact O-N 3.37Å; Q668-M672 WeakPolarHBondContact O-CB 3.43Å; Q668-M672 PolarHBondContact O-N 2.93Å; Q668-H824 HydrophobicContact CG-CB 4.28Å; Q668-H824 PolarHBondContact NE2-O 3.15Å; Q668-H824 VanDerWaalsContact NE2-O 3.13Å; Q668-H824 PolarHBondContact O-CE1 2.96Å; Q668-E827 PolarHBondContact NE2-OE2 2.92Å
669K95.6Very high93.4Very high124 Ų12452.8 Ų52.854%0.53924%0.241SC..Hα-helixtrans-60.9-48.9175.4-177178.8178.3-178.10111.4H665 T666 L667 R671 M672 D673H665-K669 VanDerWaalsContact O-CB 3.28Å; H665-K669 WeakPolarHBondContact O-CB 3.31Å; H665-K669 PolarHBondContact O-N 3.47Å; T666-K669 PolarHBondContact O-N 2.98Å; L667-K669 VanDerWaalsContact C-N 3.32Å; L667-K669 PolarHBondContact O-N 3.39Å; K669-R671 PolarHBondContact O-N 3.12Å; K669-M672 PolarHBondContact O-N 3.03Å; K669-D673 PolarHBondContact O-N 3.37Å
670L94.3Very high93Very high38 Ų3857 Ų5720%0.19926%0.26CS..Hα-helixtrans-60.2-47.1177.7-179.662.2000111.1Q474 L475 L478 T666 L667 M672 D673 L674Q474-L670 HydrophobicContact CB-CD2 4.45Å; L475-L670 HydrophobicContact CD2-CD2 4.04Å; L475-L670 HydrophobicContact CD2-CG 4.22Å; L478-L670 HydrophobicContact CB-CD2 3.92Å; L478-L670 HydrophobicContact CD2-CB 3.92Å; L478-L670 HydrophobicContact CD2-CD2 3.48Å; L478-L670 VanDerWaalsContact CD2-CD2 3.48Å; L478-L670 HydrophobicContact CD2-CG 4.34Å; L478-L670 HydrophobicContact CG-CD2 4.31Å; T666-L670 PolarHBondContact O-N 3.06Å; T666-L670 VanDerWaalsContact O-N 3.07Å; L667-L670 PolarHBondContact O-N 2.97Å; L670-M672 VanDerWaalsContact C-N 3.28Å; L670-M672 PolarHBondContact O-N 3.32Å; L670-D673 PolarHBondContact O-N 3.23Å; L670-L674 HydrophobicContact CD1-CD1 4.2Å; L670-L674 HydrophobicContact CD1-CD2 4.36Å; L670-L674 HydrophobicContact CD1-CG 4.09Å; L670-L674 HydrophobicContact CG-CD1 3.95Å; L670-L674 HydrophobicContact CG-CG 4.29Å; L670-L674 VanDerWaalsContact O-CG 3.24Å; L670-L674 WeakPolarHBondContact O-CG 3.37Å; L670-L674 PolarHBondContact O-N 3.39Å
671R90.8Very high92.4Very high43 Ų4357.7 Ų57.716%0.16227%0.266CS..Hα-helixtrans-54-45.5176.3-74.1176178.4172-2.6111.8L475 E479 L667 Q668 K669 L674 I675 E827L475-R671 HydrophobicContact CD2-CG 3.62Å; E479-R671 IonicContact OE1-NH2 2.69Å; L667-R671 WeakPolarHBondContact O-CG 3.38Å; L667-R671 PolarHBondContact O-N 3.16Å; Q668-R671 PolarHBondContact O-N 3.37Å; K669-R671 PolarHBondContact O-N 3.12Å; R671-L674 PolarHBondContact O-N 3.27Å; R671-I675 WeakPolarHBondContact O-CG1 3.48Å; R671-I675 PolarHBondContact O-N 3.1Å; R671-E827 IonicContact CZ-OE1 3.91Å; R671-E827 IonicContact NH1-OE1 3.86Å; R671-E827 PolarHBondContact NH1-OE1 3.21Å; R671-E827 IonicContact NH1-OE2 2.68Å; R671-E827 PolarHBondContact NH1-OE2 3.26Å
672M92.8Very high91.7Very high35 Ų3555 Ų5517%0.17226%0.255CS..Hα-helixtrans-67-39.9179.6-162.961.663.600112.9Q668 K669 L670 I675 R676 T820 E821Q668-M672 WeakPolarHBondContact O-CB 3.43Å; Q668-M672 PolarHBondContact O-N 2.93Å; K669-M672 PolarHBondContact O-N 3.03Å; L670-M672 VanDerWaalsContact C-N 3.28Å; L670-M672 PolarHBondContact O-N 3.32Å; M672-I675 PolarHBondContact O-N 3.07Å; M672-R676 PolarHBondContact O-N 2.77Å; M672-T820 HydrophobicContact CE-CG2 4.11Å; M672-E821 HydrophobicContact CE-CG 3.87Å
673D93.3Very high91.3Very high65 Ų6551.7 Ų51.735%0.34825%0.246SC..Hα-helixtrans-66.2-38.5177.1-73.2-25.9000111.6K669 L670 R676 L677K669-D673 PolarHBondContact O-N 3.37Å; L670-D673 PolarHBondContact O-N 3.23Å; D673-R676 PolarHBondContact O-N 2.96Å; D673-R676 IonicContact OD1-CZ 3.17Å; D673-R676 IonicContact OD1-NH1 3.16Å; D673-R676 PolarHBondContact OD1-NH1 3.28Å; D673-L677 PolarHBondContact O-N 2.73Å
674L89.4Confident90.8Very high11 Ų1155.4 Ų55.46%0.05826%0.264CS..Hα-helixtrans-65.9-42.5174.7-65.1174.9000112.1H471 L475 L670 R671 R676 L677 Q678H471-L674 HydrophobicContact CB-CB 4.48Å; H471-L674 HydrophobicContact CB-CD1 4.05Å; H471-L674 HydrophobicContact CB-CD2 4.12Å; H471-L674 HydrophobicContact CB-CG 4.44Å; H471-L674 VanDerWaalsContact CD2-CD2 3.48Å; H471-L674 WeakPolarHBondContact CD2-CD2 3.45Å; H471-L674 PolarHBondContact CE1-O 2.94Å; L475-L674 HydrophobicContact CD1-CD1 4.1Å; L475-L674 HydrophobicContact CD2-CD1 4Å; L475-L674 HydrophobicContact CG-CD1 3.73Å; L670-L674 HydrophobicContact CD1-CD1 4.2Å; L670-L674 HydrophobicContact CD1-CD2 4.36Å; L670-L674 HydrophobicContact CD1-CG 4.09Å; L670-L674 HydrophobicContact CG-CD1 3.95Å; L670-L674 HydrophobicContact CG-CG 4.29Å; L670-L674 VanDerWaalsContact O-CG 3.24Å; L670-L674 WeakPolarHBondContact O-CG 3.37Å; L670-L674 PolarHBondContact O-N 3.39Å; R671-L674 PolarHBondContact O-N 3.27Å; L674-R676 VanDerWaalsContact C-N 3.33Å; L674-R676 PolarHBondContact O-N 2.89Å; L674-L677 PolarHBondContact O-N 2.98Å; L674-Q678 WeakPolarHBondContact O-CB 3.18Å; L674-Q678 PolarHBondContact O-N 3.01Å
675I87.5Confident90.1Very high22 Ų2256 Ų5611%0.11327%0.267CS..Hα-helixtrans-61.9-42.6174.4-71.7165.6000110.6R671 M672 L677 Q678 H679 I816 T820R671-I675 WeakPolarHBondContact O-CG1 3.48Å; R671-I675 PolarHBondContact O-N 3.1Å; M672-I675 PolarHBondContact O-N 3.07Å; I675-L677 VanDerWaalsContact C-N 3.34Å; I675-L677 PolarHBondContact O-N 2.83Å; I675-Q678 PolarHBondContact O-N 3.49Å; I675-H679 WeakPolarHBondContact CG2-CE1 3.02Å; I675-H679 WeakPolarHBondContact CG2-NE2 3.25Å; I675-H679 WeakPolarHBondContact O-CB 3.17Å; I675-H679 PolarHBondContact O-CD2 3.49Å; I675-H679 VanDerWaalsContact O-CG 3.24Å; I675-H679 PolarHBondContact O-N 2.75Å; I675-I816 HydrophobicContact CD1-CG2 4.38Å; I675-I816 HydrophobicContact CG2-CG2 4.21Å; I675-T820 HydrophobicContact CD1-CG2 3.58Å; I675-T820 VanDerWaalsContact CD1-OG1 3.28Å; I675-T820 WeakPolarHBondContact CD1-OG1 3.31Å
676R91.8Very high89.4Confident159 Ų15950.7 Ų50.760%0.624%0.243SC*.Hα-helixtrans-60.3-44.3176.4-170.4-172.1-67.3124.51.6111.5M672 D673 L674 H679 Q680M672-R676 PolarHBondContact O-N 2.77Å; D673-R676 PolarHBondContact O-N 2.96Å; D673-R676 IonicContact OD1-CZ 3.17Å; D673-R676 IonicContact OD1-NH1 3.16Å; D673-R676 PolarHBondContact OD1-NH1 3.28Å; L674-R676 VanDerWaalsContact C-N 3.33Å; L674-R676 PolarHBondContact O-N 2.89Å; R676-H679 PolarHBondContact O-N 3.13Å; R676-Q680 PolarHBondContact O-N 3.47Å
677L89.8Confident88.9Confident93 Ų9351.8 Ų51.849%0.48725%0.246SC..Hα-helixtrans-63.8-42.1177.5-176.559.6000111.6D673 L674 I675 Q680 T681D673-L677 PolarHBondContact O-N 2.73Å; L674-L677 PolarHBondContact O-N 2.98Å; I675-L677 VanDerWaalsContact C-N 3.34Å; I675-L677 PolarHBondContact O-N 2.83Å; L677-Q680 PolarHBondContact O-N 3.43Å; L677-T681 PolarHBondContact O-N 3.42Å; L677-T681 VanDerWaalsContact O-N 3.08Å; L677-T681 PolarHBondContact O-OG1 3.03Å
678Q85.2Confident88.4Confident8 Ų855.9 Ų55.94%0.03726%0.264CS..Hα-helixtrans-59.8-49.3174.9170.4177.7-17.300111.7Y464 M467 L674 I675 Q680 T681 E682Y464-Q678 HydrophobicContact CE2-CG 4.27Å; Y464-Q678 PolarHBondContact OH-NE2 3.46Å; M467-Q678 HydrophobicContact CE-CB 3.99Å; M467-Q678 HydrophobicContact CE-CG 3.95Å; M467-Q678 HydrophobicContact SD-CB 4.37Å; L674-Q678 WeakPolarHBondContact O-CB 3.18Å; L674-Q678 PolarHBondContact O-N 3.01Å; I675-Q678 PolarHBondContact O-N 3.49Å; Q678-Q680 VanDerWaalsContact C-N 3.27Å; Q678-Q680 PolarHBondContact O-N 3.43Å; Q678-T681 PolarHBondContact O-N 3.19Å; Q678-T681 VanDerWaalsContact O-N 3.16Å; Q678-E682 HydrophobicContact CG-CG 4.39Å; Q678-E682 WeakPolarHBondContact CG-OE1 3.12Å; Q678-E682 PolarHBondContact NE2-OE1 2.95Å; Q678-E682 WeakPolarHBondContact O-CG 3.24Å; Q678-E682 PolarHBondContact O-N 3.31Å
679H88.6Confident87.7Confident25 Ų2556.4 Ų56.412%0.11627%0.265CS..Hα-helixtrans-59.1-39.4178.9-70.1176.4000112.1I675 R676 E682 L683 Q813I675-H679 WeakPolarHBondContact CG2-CE1 3.02Å; I675-H679 WeakPolarHBondContact CG2-NE2 3.25Å; I675-H679 WeakPolarHBondContact O-CB 3.17Å; I675-H679 PolarHBondContact O-CD2 3.49Å; I675-H679 VanDerWaalsContact O-CG 3.24Å; I675-H679 PolarHBondContact O-N 2.75Å; R676-H679 PolarHBondContact O-N 3.13Å; H679-E682 IonicContact CD2-OE2 2.7Å; H679-E682 PolarHBondContact O-N 3.44Å; H679-L683 WeakPolarHBondContact O-CB 3.37Å; H679-L683 PolarHBondContact O-N 3.25Å; H679-Q813 VanDerWaalsContact CA-NE2 3.32Å; H679-Q813 HydrophobicContact CB-CG 4.13Å; H679-Q813 PolarHBondContact CE1-O 2.96Å; H679-Q813 PolarHBondContact O-NE2 3.1Å
680Q90Very high87.3Confident95 Ų9551.6 Ų51.644%0.44425%0.245SC..Hα-helixtrans-62.6-46175.8-177.562.528.200111.7R676 L677 Q678 L683 E684R676-Q680 PolarHBondContact O-N 3.47Å; L677-Q680 PolarHBondContact O-N 3.43Å; Q678-Q680 VanDerWaalsContact C-N 3.27Å; Q678-Q680 PolarHBondContact O-N 3.43Å; Q680-L683 PolarHBondContact O-N 3.02Å; Q680-E684 PolarHBondContact NE2-OE1 3.38Å; Q680-E684 WeakPolarHBondContact O-CG 3.43Å; Q680-E684 PolarHBondContact O-N 2.93Å
681T84.1Confident87Confident34 Ų3455.9 Ų55.921%0.20926%0.262CS..Hα-helixtrans-64.4-41.2177.8-56.50000112.2L677 Q678 L683 E684 N685L677-T681 PolarHBondContact O-N 3.42Å; L677-T681 VanDerWaalsContact O-N 3.08Å; L677-T681 PolarHBondContact O-OG1 3.03Å; Q678-T681 PolarHBondContact O-N 3.19Å; Q678-T681 VanDerWaalsContact O-N 3.16Å; T681-L683 VanDerWaalsContact C-N 3.34Å; T681-L683 PolarHBondContact O-N 3.39Å; T681-E684 PolarHBondContact O-N 3.17Å; T681-N685 WeakPolarHBondContact O-CB 3.26Å; T681-N685 PolarHBondContact O-N 3.37Å; T681-N685 PolarHBondContact O-ND2 2.94Å
682E82.6Confident86.5Confident8 Ų856.1 Ų56.14%0.03726%0.263CS..Hα-helixtrans-62.8-41.1176.6-71.2167.717800111.7M227 Y464 Q678 H679 N685 Q686 L809 Q813M227-E682 HydrophobicContact CE-CG 4.46Å; Y464-E682 HydrophobicContact CE2-CG 3.82Å; Y464-E682 WeakPolarHBondContact CE2-OE1 3.37Å; Y464-E682 PolarHBondContact OH-OE1 3.03Å; Q678-E682 HydrophobicContact CG-CG 4.39Å; Q678-E682 WeakPolarHBondContact CG-OE1 3.12Å; Q678-E682 PolarHBondContact NE2-OE1 2.95Å; Q678-E682 WeakPolarHBondContact O-CG 3.24Å; Q678-E682 PolarHBondContact O-N 3.31Å; H679-E682 IonicContact CD2-OE2 2.7Å; H679-E682 PolarHBondContact O-N 3.44Å; E682-N685 PolarHBondContact O-N 3.03Å; E682-Q686 PolarHBondContact O-N 2.96Å; E682-L809 HydrophobicContact CB-CD1 4.22Å; E682-Q813 PolarHBondContact OE2-NE2 2.99Å
683L87.1Confident86.1Confident48 Ų4858.3 Ų58.325%0.25127%0.27SS..Hα-helixtrans-64.5-45.4176.1-179.863.6000111.8H679 Q680 T681 N685 Q686 L687 M806H679-L683 WeakPolarHBondContact O-CB 3.37Å; H679-L683 PolarHBondContact O-N 3.25Å; Q680-L683 PolarHBondContact O-N 3.02Å; T681-L683 VanDerWaalsContact C-N 3.34Å; T681-L683 PolarHBondContact O-N 3.39Å; L683-N685 VanDerWaalsContact C-N 3.33Å; L683-N685 PolarHBondContact O-N 3.34Å; L683-Q686 PolarHBondContact O-N 3.06Å; L683-L687 HydrophobicContact CD1-CG 4.47Å; L683-L687 HydrophobicContact CG-CD1 4.24Å; L683-L687 VanDerWaalsContact O-CG 3.3Å; L683-L687 WeakPolarHBondContact O-CG 3.49Å; L683-L687 PolarHBondContact O-N 2.99Å; L683-M806 HydrophobicContact CD1-CE 4.12Å; L683-M806 HydrophobicContact CD1-SD 3.6Å; L683-M806 VanDerWaalsContact CD1-SD 3.6Å
684E86.1Confident85.7Confident101 Ų10159.8 Ų59.847%0.47227%0.274SS..Hα-helixtrans-58.9-44.8176.3-75.7170.9-169.100111.6Q680 T681 L687 E688Q680-E684 PolarHBondContact NE2-OE1 3.38Å; Q680-E684 WeakPolarHBondContact O-CG 3.43Å; Q680-E684 PolarHBondContact O-N 2.93Å; T681-E684 PolarHBondContact O-N 3.17Å; E684-L687 PolarHBondContact O-N 2.98Å; E684-E688 PolarHBondContact O-N 3.23Å
685N81.6Confident85.5Confident39 Ų3965 Ų6521%0.20929%0.293CS..Hα-helixtrans-62.5-43.1176.7-71-20.1000112.2T681 E682 L683 E688 Y689T681-N685 WeakPolarHBondContact O-CB 3.26Å; T681-N685 PolarHBondContact O-N 3.37Å; T681-N685 PolarHBondContact O-ND2 2.94Å; E682-N685 PolarHBondContact O-N 3.03Å; L683-N685 VanDerWaalsContact C-N 3.33Å; L683-N685 PolarHBondContact O-N 3.34Å; N685-E688 PolarHBondContact O-N 3.04Å; N685-Y689 WeakPolarHBondContact O-CB 3.5Å; N685-Y689 PolarHBondContact O-N 2.62Å
686Q81.9Confident85.2Confident10 Ų1065.7 Ų65.75%0.04730%0.296CS..Hα-helixtrans-65.7-39.5178-173.265.932.700111.5N225 E682 L683 E688 Y689 N690 E805 M806 L809N225-Q686 PolarHBondContact ND2-OE1 3.47Å; E682-Q686 PolarHBondContact O-N 2.96Å; L683-Q686 PolarHBondContact O-N 3.06Å; Q686-E688 VanDerWaalsContact C-N 3.34Å; Q686-E688 PolarHBondContact O-N 2.95Å; Q686-Y689 PolarHBondContact O-N 2.8Å; Q686-N690 PolarHBondContact NE2-OD1 3.38Å; Q686-N690 WeakPolarHBondContact O-CB 3.31Å; Q686-N690 PolarHBondContact O-N 2.94Å; Q686-N690 PolarHBondContact O-OD1 3.02Å; Q686-N690 VanDerWaalsContact O-OD1 3.12Å; Q686-E805 PolarHBondContact NE2-OE2 3.14Å; Q686-M806 HydrophobicContact CB-CE 4.13Å; Q686-M806 HydrophobicContact CG-CE 3.6Å; Q686-M806 HydrophobicContact CG-SD 4.14Å; Q686-L809 HydrophobicContact CB-CD2 3.68Å; Q686-L809 HydrophobicContact CG-CD2 4.04Å
687L86.2Confident85Confident79 Ų7959.4 Ų59.441%0.41427%0.274SS..Hα-helixtrans-64.1-39.3175.6-71.5172.2000112.1L683 E684 K691 M806L683-L687 HydrophobicContact CD1-CG 4.47Å; L683-L687 HydrophobicContact CG-CD1 4.24Å; L683-L687 VanDerWaalsContact O-CG 3.3Å; L683-L687 WeakPolarHBondContact O-CG 3.49Å; L683-L687 PolarHBondContact O-N 2.99Å; E684-L687 PolarHBondContact O-N 2.98Å; L687-K691 WeakPolarHBondContact O-CG 3.48Å; L687-K691 PolarHBondContact O-N 3.33Å; L687-K691 VanDerWaalsContact O-N 3.09Å; L687-M806 HydrophobicContact CD2-CE 3.74Å; L687-M806 HydrophobicContact CG-CE 4.16Å
688E83.9Confident84.8Confident108 Ų10861 Ų6151%0.50528%0.279SS..Hα-helixtrans-66.6-41.8175.6-173.8165.3-145.400112E684 N685 Q686 K691 R692E684-E688 PolarHBondContact O-N 3.23Å; N685-E688 PolarHBondContact O-N 3.04Å; Q686-E688 VanDerWaalsContact C-N 3.34Å; Q686-E688 PolarHBondContact O-N 2.95Å; E688-K691 PolarHBondContact O-N 3.4Å; E688-R692 PolarHBondContact O-N 3.28Å
689Y79.6Confident84.8Confident40 Ų4066.4 Ų66.416%0.15730%0.299CS..Hα-helixtrans-59.5-48.2173.1173.3-99.1000111.8N225 N685 Q686 K691 R692 R693 L802 E805N225-Y689 HydrophobicContact CB-CD1 4.41Å; N225-Y689 HydrophobicContact CB-CD2 3.95Å; N225-Y689 HydrophobicContact CB-CE1 4.12Å; N225-Y689 HydrophobicContact CB-CE2 3.63Å; N225-Y689 HydrophobicContact CB-CG 4.33Å; N685-Y689 WeakPolarHBondContact O-CB 3.5Å; N685-Y689 PolarHBondContact O-N 2.62Å; Q686-Y689 PolarHBondContact O-N 2.8Å; Y689-K691 VanDerWaalsContact C-N 3.35Å; Y689-K691 PolarHBondContact O-N 2.78Å; Y689-R692 WeakPolarHBondContact O-CA 3.37Å; Y689-R692 WeakPolarHBondContact O-CB 3.47Å; Y689-R692 PolarHBondContact O-N 3.14Å; Y689-R693 HydrophobicContact CD1-CG 4.25Å; Y689-R693 HydrophobicContact CD2-CG 4.31Å; Y689-R693 HydrophobicContact CE1-CG 3.73Å; Y689-R693 HydrophobicContact CE2-CG 3.79Å; Y689-R693 VanDerWaalsContact CZ-CG 3.48Å; Y689-R693 WeakPolarHBondContact O-CG 3.48Å; Y689-R693 PolarHBondContact O-N 3.26Å; Y689-L802 HydrophobicContact CD1-CD2 4.39Å; Y689-L802 HydrophobicContact CE1-CD2 3.96Å; Y689-E805 VanDerWaalsContact CE1-OE2 3.29Å; Y689-E805 WeakPolarHBondContact CE1-OE2 3.49Å
690N86.6Confident84.6Confident22 Ų2269 Ų6912%0.11831%0.31CS..Hα-helixtrans-56-49.8177.3-72.49.1000110.8Q686 R692 R693 E694 L802Q686-N690 PolarHBondContact NE2-OD1 3.38Å; Q686-N690 WeakPolarHBondContact O-CB 3.31Å; Q686-N690 PolarHBondContact O-N 2.94Å; Q686-N690 PolarHBondContact O-OD1 3.02Å; Q686-N690 VanDerWaalsContact O-OD1 3.12Å; N690-R692 PolarHBondContact O-N 2.9Å; N690-R693 PolarHBondContact O-N 2.93Å; N690-E694 WeakPolarHBondContact O-CG 3.33Å; N690-E694 PolarHBondContact O-N 2.78Å; N690-L802 HydrophobicContact CB-CD1 4.11Å
691K87.3Confident84.6Confident128 Ų12865 Ų6556%0.55729%0.291SS*.Hα-helixtrans-59.5-32176.1-73.7174.7-177.2174.80112.8L687 E688 Y689 R695L687-K691 WeakPolarHBondContact O-CG 3.48Å; L687-K691 PolarHBondContact O-N 3.33Å; L687-K691 VanDerWaalsContact O-N 3.09Å; E688-K691 PolarHBondContact O-N 3.4Å; Y689-K691 VanDerWaalsContact C-N 3.35Å; Y689-K691 PolarHBondContact O-N 2.78Å; K691-R695 VanDerWaalsContact O-CG 3.31Å; K691-R695 WeakPolarHBondContact O-CG 3.43Å; K691-R695 PolarHBondContact O-N 2.74Å; K691-R695 PolarHBondContact O-NE 2.88Å
692R82.1Confident84.7Confident48 Ų4865.9 Ų65.918%0.18130%0.297CS..Hα-helixtrans-71.9-47.6178.1-172.6-168.4-172.3141.616.4111E456 E688 Y689 N690 E694 R695 E696E456-R692 IonicContact OE2-CZ 3.83Å; E456-R692 IonicContact OE2-NH1 3.99Å; E456-R692 PolarHBondContact OE2-NH1 3.02Å; E456-R692 IonicContact OE2-NH2 2.99Å; E456-R692 PolarHBondContact OE2-NH2 2.94Å; E688-R692 PolarHBondContact O-N 3.28Å; Y689-R692 WeakPolarHBondContact O-CA 3.37Å; Y689-R692 WeakPolarHBondContact O-CB 3.47Å; Y689-R692 PolarHBondContact O-N 3.14Å; N690-R692 PolarHBondContact O-N 2.9Å; R692-E694 VanDerWaalsContact C-N 3.27Å; R692-E694 PolarHBondContact O-N 2.86Å; R692-R695 WeakPolarHBondContact O-CA 3.35Å; R692-R695 WeakPolarHBondContact O-CB 3.33Å; R692-R695 PolarHBondContact O-N 3.3Å; R692-E696 IonicContact NE-OE1 3.35Å; R692-E696 PolarHBondContact NE-OE1 3.21Å; R692-E696 WeakPolarHBondContact O-CG 3.44Å; R692-E696 PolarHBondContact O-N 3.27Å
693R82.6Confident84.6Confident82 Ų8270.6 Ų70.631%0.30932%0.32SS..Hα-helixtrans-59-41178.2-69.1-65.4-64.9159.3-6.2111.8Y689 N690 E696 L697 L798 L802Y689-R693 HydrophobicContact CD1-CG 4.25Å; Y689-R693 HydrophobicContact CD2-CG 4.31Å; Y689-R693 HydrophobicContact CE1-CG 3.73Å; Y689-R693 HydrophobicContact CE2-CG 3.79Å; Y689-R693 VanDerWaalsContact CZ-CG 3.48Å; Y689-R693 WeakPolarHBondContact O-CG 3.48Å; Y689-R693 PolarHBondContact O-N 3.26Å; N690-R693 PolarHBondContact O-N 2.93Å; R693-E696 IonicContact NH1-OE2 3.79Å; R693-E696 PolarHBondContact NH1-OE2 3.19Å; R693-E696 VanDerWaalsContact NH1-OE2 3.08Å; R693-E696 PolarHBondContact O-N 3.21Å; R693-L697 PolarHBondContact O-N 2.72Å; R693-L798 HydrophobicContact CB-CD1 4.26Å; R693-L798 HydrophobicContact CB-CD2 4.35Å; R693-L802 HydrophobicContact CB-CD1 4.3Å; R693-L802 HydrophobicContact CB-CD2 4.17Å; R693-L802 HydrophobicContact CG-CD2 4.22Å
694E85.8Confident84.4Confident95 Ų9571.2 Ų71.244%0.44432%0.321SS..Hα-helixtrans-60.8-44.2172.8-70.3177.5161.500112.2N690 R692 L697 H698 L802N690-E694 WeakPolarHBondContact O-CG 3.33Å; N690-E694 PolarHBondContact O-N 2.78Å; R692-E694 VanDerWaalsContact C-N 3.27Å; R692-E694 PolarHBondContact O-N 2.86Å; E694-L697 PolarHBondContact O-N 3.37Å; E694-H698 WeakPolarHBondContact O-CB 3.47Å; E694-H698 PolarHBondContact O-N 3.26Å; E694-L802 HydrophobicContact CG-CD1 4.14Å
695R85.7Confident84.3Confident121 Ų12170 Ų7046%0.45732%0.318SS..Hα-helixtrans-64-40.3176.2-77.8176.9-78.2147.9-8.4112.6K691 R692 H698 R699K691-R695 VanDerWaalsContact O-CG 3.31Å; K691-R695 WeakPolarHBondContact O-CG 3.43Å; K691-R695 PolarHBondContact O-N 2.74Å; K691-R695 PolarHBondContact O-NE 2.88Å; R692-R695 WeakPolarHBondContact O-CA 3.35Å; R692-R695 WeakPolarHBondContact O-CB 3.33Å; R692-R695 PolarHBondContact O-N 3.3Å; R695-H698 PolarHBondContact O-N 3.35Å; R695-R699 VanDerWaalsContact O-CG 3.3Å; R695-R699 WeakPolarHBondContact O-CG 3.42Å; R695-R699 PolarHBondContact O-N 2.83Å
696E81.4Confident84.4Confident37 Ų3777.5 Ų77.517%0.17334%0.343CS..Hα-helixtrans-63.9-45.5177.2-74.3174.9-179.400111.3Q453 R692 R693 R699 K700Q453-E696 PolarHBondContact NE2-OE1 3Å; R692-E696 IonicContact NE-OE1 3.35Å; R692-E696 PolarHBondContact NE-OE1 3.21Å; R692-E696 WeakPolarHBondContact O-CG 3.44Å; R692-E696 PolarHBondContact O-N 3.27Å; R693-E696 IonicContact NH1-OE2 3.79Å; R693-E696 PolarHBondContact NH1-OE2 3.19Å; R693-E696 VanDerWaalsContact NH1-OE2 3.08Å; R693-E696 PolarHBondContact O-N 3.21Å; E696-R699 PolarHBondContact O-N 2.64Å; E696-K700 PolarHBondContact O-N 2.84Å
697L86.4Confident84.4Confident26 Ų2682.2 Ų82.214%0.13637%0.365CS..Hα-helixtrans-62.3-44.8175.6-173.565000111.1R693 E694 R699 K700 H701 E794 C795 L798R693-L697 PolarHBondContact O-N 2.72Å; E694-L697 PolarHBondContact O-N 3.37Å; L697-R699 VanDerWaalsContact C-N 3.33Å; L697-R699 PolarHBondContact O-N 3.12Å; L697-K700 HydrophobicContact CD1-CD 4.4Å; L697-K700 WeakPolarHBondContact O-CB 3.35Å; L697-K700 PolarHBondContact O-N 2.77Å; L697-K700 VanDerWaalsContact O-N 3.1Å; L697-H701 WeakPolarHBondContact CD1-NE2 3.48Å; L697-H701 PolarHBondContact O-N 2.69Å; L697-E794 HydrophobicContact CD1-CB 4.27Å; L697-C795 HydrophobicContact CD2-CB 4.43Å; L697-L798 HydrophobicContact CB-CD2 3.85Å; L697-L798 HydrophobicContact CD2-CB 4.01Å; L697-L798 HydrophobicContact CD2-CD2 3.55Å; L697-L798 HydrophobicContact CD2-CG 4.42Å; L697-L798 HydrophobicContact CG-CD2 4.3Å
698H86.6Confident84.1Confident126 Ų12680.3 Ų80.358%0.58335%0.354SS*.Hα-helixtrans-59.4-42.4176.5-173.467.6000112.3E694 R695 K700 H701 V702E694-H698 WeakPolarHBondContact O-CB 3.47Å; E694-H698 PolarHBondContact O-N 3.26Å; R695-H698 PolarHBondContact O-N 3.35Å; H698-K700 VanDerWaalsContact C-N 3.34Å; H698-K700 PolarHBondContact O-N 2.88Å; H698-H701 PolarHBondContact O-N 2.95Å; H698-V702 VanDerWaalsContact O-CG2 3.3Å; H698-V702 WeakPolarHBondContact O-CG2 3.17Å; H698-V702 PolarHBondContact O-N 2.92Å
699R84.9Confident84Confident123 Ų12378.4 Ų78.446%0.46435%0.351SS..Hα-helixtrans-62.3-40.7174.8-74.1173.3-173.4171.11.5112.1H449 R695 E696 L697 V702 M703H449-R699 PolarHBondContact CE1-NH1 3.28Å; H449-R699 VanDerWaalsContact CE1-NH1 3.25Å; H449-R699 PolarHBondContact NE2-NH1 3.32Å; R695-R699 VanDerWaalsContact O-CG 3.3Å; R695-R699 WeakPolarHBondContact O-CG 3.42Å; R695-R699 PolarHBondContact O-N 2.83Å; E696-R699 PolarHBondContact O-N 2.64Å; L697-R699 VanDerWaalsContact C-N 3.33Å; L697-R699 PolarHBondContact O-N 3.12Å; R699-V702 PolarHBondContact O-N 3.33Å; R699-M703 WeakPolarHBondContact O-CG 3.36Å; R699-M703 PolarHBondContact O-N 3.31Å
700K84.2Confident84.1Confident78 Ų7884 Ų8434%0.33938%0.376SS..Hα-helixtrans-59.5-50175.6-177.6-168.5168.1-1520110.5E696 L697 H698 V702 M703 E704 E794E696-K700 PolarHBondContact O-N 2.84Å; L697-K700 HydrophobicContact CD1-CD 4.4Å; L697-K700 WeakPolarHBondContact O-CB 3.35Å; L697-K700 PolarHBondContact O-N 2.77Å; L697-K700 VanDerWaalsContact O-N 3.1Å; H698-K700 VanDerWaalsContact C-N 3.34Å; H698-K700 PolarHBondContact O-N 2.88Å; K700-V702 PolarHBondContact O-N 3.05Å; K700-M703 WeakPolarHBondContact O-CB 3.47Å; K700-M703 PolarHBondContact O-N 2.68Å; K700-M703 VanDerWaalsContact O-N 3.09Å; K700-E704 WeakPolarHBondContact CE-OE1 3.44Å; K700-E704 IonicContact NZ-OE1 2.87Å; K700-E704 PolarHBondContact O-N 3.16Å; K700-E794 IonicContact NZ-OE1 3.15Å; K700-E794 PolarHBondContact NZ-OE1 3.12Å; K700-E794 IonicContact NZ-OE2 2.71Å; K700-E794 PolarHBondContact NZ-OE2 3.28Å
701H89.3Confident83.7Confident12 Ų1287.6 Ų87.66%0.05640%0.396CS..Hα-helixtrans-60.6-42.6178.8-65.4169.2000112.3L697 H698 M703 E704 L705 Q791 E794 C795L697-H701 WeakPolarHBondContact CD1-NE2 3.48Å; L697-H701 PolarHBondContact O-N 2.69Å; H698-H701 PolarHBondContact O-N 2.95Å; H701-M703 VanDerWaalsContact C-N 3.32Å; H701-M703 PolarHBondContact O-N 3.35Å; H701-E704 IonicContact CD2-OE2 2.71Å; H701-E704 PolarHBondContact O-N 3Å; H701-L705 WeakPolarHBondContact O-CB 3.41Å; H701-L705 WeakPolarHBondContact O-CD1 3.34Å; H701-L705 PolarHBondContact O-N 3.1Å; H701-Q791 HydrophobicContact CB-CG 4.34Å; H701-Q791 PolarHBondContact CE1-O 2.99Å; H701-Q791 VanDerWaalsContact CE1-O 3.29Å; H701-Q791 PolarHBondContact O-NE2 3.16Å; H701-E794 IonicContact CD2-OE2 2.62Å; H701-E794 IonicContact NE2-OE2 2.83Å; H701-E794 PolarHBondContact NE2-OE2 3.14Å; H701-C795 VanDerWaalsContact CE1-SG 3.58Å
702V86.5Confident83.5Confident53 Ų5382.4 Ų82.432%0.32137%0.374SS..Hα-helixtrans-62.4-38.3174.7171.50000112H698 R699 K700 R706H698-V702 VanDerWaalsContact O-CG2 3.3Å; H698-V702 WeakPolarHBondContact O-CG2 3.17Å; H698-V702 PolarHBondContact O-N 2.92Å; R699-V702 PolarHBondContact O-N 3.33Å; K700-V702 PolarHBondContact O-N 3.05Å; V702-R706 WeakPolarHBondContact O-CG 3.33Å; V702-R706 PolarHBondContact O-N 2.96Å; V702-R706 VanDerWaalsContact O-N 3.1Å
703M81.4Confident83.6Confident106 Ų10687 Ų8752%0.52240%0.395SS..Hα-helixtrans-67.7-40.1176.2-76.9-169-71.700112.3R699 K700 H701 R706 Q707R699-M703 WeakPolarHBondContact O-CG 3.36Å; R699-M703 PolarHBondContact O-N 3.31Å; K700-M703 WeakPolarHBondContact O-CB 3.47Å; K700-M703 PolarHBondContact O-N 2.68Å; K700-M703 VanDerWaalsContact O-N 3.09Å; H701-M703 VanDerWaalsContact C-N 3.32Å; H701-M703 PolarHBondContact O-N 3.35Å; M703-R706 PolarHBondContact O-N 2.62Å; M703-Q707 WeakPolarHBondContact O-CG 3.32Å; M703-Q707 PolarHBondContact O-N 3.32Å
704E83.1Confident83.7Confident61 Ų6186 Ų8629%0.28540%0.404SS..Hα-helixtrans-63.5-45.8175.5-73.1170.6174.500111.6K700 H701 R706 Q707 Q708 L787 Q791K700-E704 WeakPolarHBondContact CE-OE1 3.44Å; K700-E704 IonicContact NZ-OE1 2.87Å; K700-E704 PolarHBondContact O-N 3.16Å; H701-E704 IonicContact CD2-OE2 2.71Å; H701-E704 PolarHBondContact O-N 3Å; E704-R706 PolarHBondContact O-N 3.29Å; E704-Q707 CarbonylContact O-C 3.59Å; E704-Q707 PolarHBondContact O-N 3.42Å; E704-Q708 WeakPolarHBondContact O-CB 3.25Å; E704-Q708 PolarHBondContact O-N 3.15Å; E704-L787 HydrophobicContact CB-CD1 4.49Å; E704-Q791 PolarHBondContact OE2-NE2 3.34Å
705L83.9Confident83.5Confident77 Ų7785.1 Ų85.140%0.40340%0.401SS..Hα-helixtrans-56.3-38.3173.2-84153.4000112.1H701 P709H701-L705 WeakPolarHBondContact O-CB 3.41Å; H701-L705 WeakPolarHBondContact O-CD1 3.34Å; H701-L705 PolarHBondContact O-N 3.1Å; L705-P709 WeakPolarHBondContact O-CD 3.45Å
706R83.6Confident83.5Confident195 Ų19581.8 Ų81.874%0.73639%0.391SS*.Hα-helixtrans-70.6-30.9175.3-76178.2175.1-172-0.6113.5V702 M703 E704V702-R706 WeakPolarHBondContact O-CG 3.33Å; V702-R706 PolarHBondContact O-N 2.96Å; V702-R706 VanDerWaalsContact O-N 3.1Å; M703-R706 PolarHBondContact O-N 2.62Å; E704-R706 PolarHBondContact O-N 3.29Å
707Q81.8Confident83.7Confident110 Ų11086.7 Ų86.751%0.51442%0.416SS..Hα-helixtrans-84.5-24.5179-69.8-175.234.200112.7M703 E704 K710 N711M703-Q707 WeakPolarHBondContact O-CG 3.32Å; M703-Q707 PolarHBondContact O-N 3.32Å; E704-Q707 CarbonylContact O-C 3.59Å; E704-Q707 PolarHBondContact O-N 3.42Å; Q707-K710 WeakPolarHBondContact O-CB 3.32Å; Q707-K710 PolarHBondContact O-N 3.25Å; Q707-N711 PolarHBondContact O-N 2.93Å
708Q79.6Confident83.6Confident38 Ų3891.1 Ų91.118%0.17844%0.436CS..Hα-helixtrans-50.2-46.3-176.9-170.4-171.831.600113.6E704 K710 N711 L712 L787E704-Q708 WeakPolarHBondContact O-CB 3.25Å; E704-Q708 PolarHBondContact O-N 3.15Å; Q708-K710 VanDerWaalsContact C-N 3.26Å; Q708-K710 PolarHBondContact O-N 3.33Å; Q708-N711 PolarHBondContact O-N 3.05Å; Q708-L712 HydrophobicContact CG-CD1 3.85Å; Q708-L712 HydrophobicContact CG-CG 4.21Å; Q708-L712 WeakPolarHBondContact O-CB 3.38Å; Q708-L712 VanDerWaalsContact O-CG 3.27Å; Q708-L712 WeakPolarHBondContact O-CG 3.25Å; Q708-L712 PolarHBondContact O-N 2.82Å; Q708-L787 HydrophobicContact CB-CD2 4.3Å; Q708-L787 VanDerWaalsContact CD-CD2 3.44Å; Q708-L787 HydrophobicContact CG-CD2 4.04Å; Q708-L787 VanDerWaalsContact NE2-CD2 3.28Å
709P81.7Confident83.5Confident69 Ų6986.2 Ų86.245%0.44841%0.413SS..Hα-helixtrans-62.7-30.5178.7-22.233.8000113.8L705 K713L705-P709 WeakPolarHBondContact O-CD 3.45Å; P709-K713 WeakPolarHBondContact O-CB 3.31Å; P709-K713 VanDerWaalsContact O-CG 3.27Å; P709-K713 WeakPolarHBondContact O-CG 3.13Å; P709-K713 PolarHBondContact O-N 3.29Å; P709-K713 VanDerWaalsContact O-N 3.1Å
710K80.7Confident83.5Confident157 Ų15784.9 Ų84.968%0.68341%0.411SS*.Hα-helixtrans-72.1-43.5177.5-65.8-175.4178.1-177.50110.9Q707 Q708 K713 A714Q707-K710 WeakPolarHBondContact O-CB 3.32Å; Q707-K710 PolarHBondContact O-N 3.25Å; Q708-K710 VanDerWaalsContact C-N 3.26Å; Q708-K710 PolarHBondContact O-N 3.33Å; K710-K713 PolarHBondContact O-N 2.8Å; K710-A714 PolarHBondContact O-N 3.42Å; K710-A714 VanDerWaalsContact O-N 3.09Å
711N80.1Confident83.7Confident98 Ų9886.3 Ų86.352%0.52442%0.417SS..Hα-helixtrans-66.3-42.7178.7-66-11.3000111.2Q707 Q708 A714 M715Q707-N711 PolarHBondContact O-N 2.93Å; Q708-N711 PolarHBondContact O-N 3.05Å; N711-A714 PolarHBondContact O-N 2.98Å; N711-M715 PolarHBondContact O-N 3.49Å
712L82.7Confident83.6Confident18 Ų1890.7 Ų90.79%0.09444%0.438CS..Hα-helixtrans-61.4-43.3175.2-71.3177.2000112Q708 A714 M715 E716 M779 M780 Q783Q708-L712 HydrophobicContact CG-CD1 3.85Å; Q708-L712 HydrophobicContact CG-CG 4.21Å; Q708-L712 WeakPolarHBondContact O-CB 3.38Å; Q708-L712 VanDerWaalsContact O-CG 3.27Å; Q708-L712 WeakPolarHBondContact O-CG 3.25Å; Q708-L712 PolarHBondContact O-N 2.82Å; L712-A714 VanDerWaalsContact C-N 3.32Å; L712-A714 PolarHBondContact O-N 3.38Å; L712-M715 PolarHBondContact O-N 2.82Å; L712-E716 WeakPolarHBondContact O-CB 3.23Å; L712-E716 PolarHBondContact O-N 3.24Å; L712-M779 HydrophobicContact CD2-SD 4.28Å; L712-M780 HydrophobicContact CB-CE 4.05Å; L712-M780 HydrophobicContact CB-SD 3.72Å; L712-M780 HydrophobicContact CD1-CE 3.74Å; L712-M780 HydrophobicContact CD1-SD 3.98Å; L712-M780 HydrophobicContact CD2-SD 3.72Å; L712-M780 HydrophobicContact CG-CE 4.33Å; L712-M780 HydrophobicContact CG-SD 4Å; L712-Q783 HydrophobicContact CD2-CB 3.83Å; L712-Q783 HydrophobicContact CD2-CG 3.76Å
713K84.3Confident83.6Confident144 Ų14491 Ų9163%0.62644%0.435SS*.Hα-helixtrans-62.1-36.8174.6-80.6178.6179.1-176.50113.2P709 K710 M717P709-K713 WeakPolarHBondContact O-CB 3.31Å; P709-K713 VanDerWaalsContact O-CG 3.27Å; P709-K713 WeakPolarHBondContact O-CG 3.13Å; P709-K713 PolarHBondContact O-N 3.29Å; P709-K713 VanDerWaalsContact O-N 3.1Å; K710-K713 PolarHBondContact O-N 2.8Å; K713-M717 WeakPolarHBondContact O-CB 3.5Å; K713-M717 PolarHBondContact O-N 2.94Å
714A83.5Confident83.9Confident61 Ų6191.2 Ų91.250%0.50443%0.434SS..Hα-helixtrans-66.6-45.1176.700000111.5K710 N711 L712 M717 Q718K710-A714 PolarHBondContact O-N 3.42Å; K710-A714 VanDerWaalsContact O-N 3.09Å; N711-A714 PolarHBondContact O-N 2.98Å; L712-A714 VanDerWaalsContact C-N 3.32Å; L712-A714 PolarHBondContact O-N 3.38Å; A714-M717 PolarHBondContact O-N 2.86Å; A714-Q718 PolarHBondContact O-N 3.18Å
715M82Confident84.1Confident77 Ų7791.5 Ų91.538%0.37944%0.438SS..Hα-helixtrans-63.1-43.8173.7-80.8-172.9161.900112.2N711 L712 M717 Q718 I719 M779N711-M715 PolarHBondContact O-N 3.49Å; L712-M715 PolarHBondContact O-N 2.82Å; M715-M717 VanDerWaalsContact C-N 3.3Å; M715-M717 PolarHBondContact O-N 3.08Å; M715-Q718 WeakPolarHBondContact O-CB 3.48Å; M715-Q718 PolarHBondContact O-N 2.89Å; M715-Q718 VanDerWaalsContact O-N 3.12Å; M715-I719 WeakPolarHBondContact O-CG1 3.47Å; M715-I719 PolarHBondContact O-N 3Å; M715-M779 HydrophobicContact CB-CE 4.11Å; M715-M779 HydrophobicContact CB-SD 4.28Å; M715-M779 HydrophobicContact SD-SD 4.23Å
716E86.1Confident84.2Confident51 Ų5190 Ų9024%0.23843%0.432CS..Hα-helixtrans-57.8-42.9175-171.3-165.7163.300111.3L712 Q718 I719 K720 I776L712-E716 WeakPolarHBondContact O-CB 3.23Å; L712-E716 PolarHBondContact O-N 3.24Å; E716-Q718 VanDerWaalsContact C-N 3.32Å; E716-Q718 PolarHBondContact O-N 3.4Å; E716-I719 PolarHBondContact O-N 2.91Å; E716-K720 HydrophobicContact CG-CD 4.48Å; E716-K720 WeakPolarHBondContact O-CB 3.27Å; E716-K720 WeakPolarHBondContact O-CG 3.31Å; E716-K720 PolarHBondContact O-N 2.9Å; E716-K720 WeakPolarHBondContact OE1-CE 3.41Å; E716-K720 IonicContact OE1-NZ 3.93Å; E716-K720 PolarHBondContact OE1-NZ 3.29Å; E716-I776 HydrophobicContact CG-CD1 4.32Å; E716-I776 HydrophobicContact CG-CG2 4.14Å
717M85.5Confident84.4Confident141 Ų14181.9 Ų81.970%0.69541%0.405SS*.Hα-helixtrans-63.7-37.4176.6-171.4-178.8-72.500112K713 A714 M715 K720 K721K713-M717 WeakPolarHBondContact O-CB 3.5Å; K713-M717 PolarHBondContact O-N 2.94Å; A714-M717 PolarHBondContact O-N 2.86Å; M715-M717 VanDerWaalsContact C-N 3.3Å; M715-M717 PolarHBondContact O-N 3.08Å; M717-K720 PolarHBondContact O-N 3.49Å; M717-K721 PolarHBondContact O-N 3.4Å
718Q84.6Confident84.7Confident119 Ų11982.1 Ų82.156%0.55640%0.404SS*.Hα-helixtrans-66.1-43.4175.9-171.2176.1-5.300111.9A714 M715 E716 K720 K721 Q722A714-Q718 PolarHBondContact O-N 3.18Å; M715-Q718 WeakPolarHBondContact O-CB 3.48Å; M715-Q718 PolarHBondContact O-N 2.89Å; M715-Q718 VanDerWaalsContact O-N 3.12Å; E716-Q718 VanDerWaalsContact C-N 3.32Å; E716-Q718 PolarHBondContact O-N 3.4Å; Q718-K720 VanDerWaalsContact C-N 3.33Å; Q718-K720 PolarHBondContact O-N 3.17Å; Q718-K721 WeakPolarHBondContact O-CB 3.33Å; Q718-K721 PolarHBondContact O-N 3.42Å; Q718-Q722 WeakPolarHBondContact O-CG 3.36Å; Q718-Q722 PolarHBondContact O-N 3.5Å
719I84.6Confident85Confident23 Ų2384 Ų8412%0.11842%0.418CS..Hα-helixtrans-63.1-41.6174.7-64.1172.6000110.4M715 E716 K721 Q722 F723 Y772 I776 M779M715-I719 WeakPolarHBondContact O-CG1 3.47Å; M715-I719 PolarHBondContact O-N 3Å; E716-I719 PolarHBondContact O-N 2.91Å; I719-K721 VanDerWaalsContact C-N 3.34Å; I719-K721 PolarHBondContact O-N 3.4Å; I719-Q722 WeakPolarHBondContact O-CB 3.41Å; I719-Q722 PolarHBondContact O-N 2.99Å; I719-F723 PolarHBondContact O-N 2.98Å; I719-Y772 HydrophobicContact CG2-CD1 3.86Å; I719-Y772 HydrophobicContact CG2-CE1 4.39Å; I719-I776 HydrophobicContact CB-CG1 4.28Å; I719-I776 HydrophobicContact CD1-CG1 4.23Å; I719-I776 HydrophobicContact CG2-CD1 4.17Å; I719-I776 HydrophobicContact CG2-CG1 3.72Å; I719-M779 HydrophobicContact CD1-CB 4.48Å; I719-M779 HydrophobicContact CD1-CE 3.7Å; I719-M779 HydrophobicContact CD1-CG 4.35Å
720K85.2Confident85.2Confident95 Ų9584.3 Ų84.341%0.41341%0.414SS..Hα-helixtrans-61.8-38.7174-75.7178-177.9172.80112.6E716 M717 Q718 F723 Q724E716-K720 HydrophobicContact CG-CD 4.48Å; E716-K720 WeakPolarHBondContact O-CB 3.27Å; E716-K720 WeakPolarHBondContact O-CG 3.31Å; E716-K720 PolarHBondContact O-N 2.9Å; E716-K720 WeakPolarHBondContact OE1-CE 3.41Å; E716-K720 IonicContact OE1-NZ 3.93Å; E716-K720 PolarHBondContact OE1-NZ 3.29Å; M717-K720 PolarHBondContact O-N 3.49Å; Q718-K720 VanDerWaalsContact C-N 3.33Å; Q718-K720 PolarHBondContact O-N 3.17Å; K720-F723 WeakPolarHBondContact O-CB 3.25Å; K720-F723 PolarHBondContact O-N 3.11Å; K720-Q724 WeakPolarHBondContact O-CG 3.42Å; K720-Q724 PolarHBondContact O-N 3.28Å
721K88.6Confident85.4Confident108 Ų10879.1 Ų79.147%0.4740%0.395SS..Hα-helixtrans-62.9-45.9174.6-173.5179.9179.4-179.20110.9M717 Q718 I719 F723 Q724 D725M717-K721 PolarHBondContact O-N 3.4Å; Q718-K721 WeakPolarHBondContact O-CB 3.33Å; Q718-K721 PolarHBondContact O-N 3.42Å; I719-K721 VanDerWaalsContact C-N 3.34Å; I719-K721 PolarHBondContact O-N 3.4Å; K721-F723 VanDerWaalsContact C-N 3.34Å; K721-F723 PolarHBondContact O-N 3.23Å; K721-Q724 PolarHBondContact O-N 3Å; K721-D725 PolarHBondContact O-N 2.96Å
722Q85.3Confident85.7Confident104 Ų10481.9 Ų81.949%0.48640%0.403SS..Hα-helixtrans-59.7-43.6175.1-71177.9-1200111.9Q718 I719 Q724 D725 T726 Y772Q718-Q722 WeakPolarHBondContact O-CG 3.36Å; Q718-Q722 PolarHBondContact O-N 3.5Å; I719-Q722 WeakPolarHBondContact O-CB 3.41Å; I719-Q722 PolarHBondContact O-N 2.99Å; Q722-Q724 PolarHBondContact O-N 3.4Å; Q722-D725 PolarHBondContact O-N 3.34Å; Q722-T726 PolarHBondContact O-N 3.02Å; Q722-T726 PolarHBondContact O-OG1 2.92Å; Q722-Y772 HydrophobicContact CB-CE1 4.45Å
723F87.9Confident85.8Confident58 Ų5886.1 Ų86.125%0.25442%0.422SS..Hα-helixtrans-57.8-47.3174.5176.8-117000112.5I719 K720 K721 D725 T726 C727 L768 A769 Y772I719-F723 PolarHBondContact O-N 2.98Å; K720-F723 WeakPolarHBondContact O-CB 3.25Å; K720-F723 PolarHBondContact O-N 3.11Å; K721-F723 VanDerWaalsContact C-N 3.34Å; K721-F723 PolarHBondContact O-N 3.23Å; F723-D725 VanDerWaalsContact C-N 3.32Å; F723-D725 PolarHBondContact O-N 2.94Å; F723-T726 PolarHBondContact O-N 3.27Å; F723-C727 VanDerWaalsContact CE2-SG 3.51Å; F723-C727 VanDerWaalsContact CZ-SG 3.5Å; F723-C727 WeakPolarHBondContact O-CB 3.35Å; F723-C727 PolarHBondContact O-N 3Å; F723-C727 PolarHBondContact O-SG 3.02Å; F723-L768 HydrophobicContact CD2-CD2 4.2Å; F723-L768 HydrophobicContact CD2-CG 4.24Å; F723-L768 HydrophobicContact CE2-CB 4.32Å; F723-L768 HydrophobicContact CE2-CD2 3.89Å; F723-L768 HydrophobicContact CE2-CG 3.89Å; F723-A769 HydrophobicContact CE2-CB 4.41Å; F723-A769 HydrophobicContact CZ-CB 4.06Å; F723-Y772 HydrophobicContact CB-CD1 3.6Å; F723-Y772 HydrophobicContact CB-CD2 4.37Å; F723-Y772 HydrophobicContact CB-CE1 3.61Å; F723-Y772 HydrophobicContact CB-CE2 4.37Å; F723-Y772 HydrophobicContact CB-CG 3.97Å; F723-Y772 HydrophobicContact CD2-CD1 4.07Å; F723-Y772 AromaticContact CD2-CD2 3.3Å; F723-Y772 HydrophobicContact CD2-CD2 3.3Å; F723-Y772 HydrophobicContact CD2-CE1 4.29Å; F723-Y772 AromaticContact CD2-CE2 3.56Å; F723-Y772 HydrophobicContact CD2-CE2 3.56Å; F723-Y772 AromaticContact CD2-CG 3.53Å; F723-Y772 HydrophobicContact CD2-CG 3.53Å; F723-Y772 AromaticContact CE2-CD2 3.94Å; F723-Y772 HydrophobicContact CE2-CD2 3.94Å; F723-Y772 HydrophobicContact CE2-CE2 4.38Å; F723-Y772 HydrophobicContact CE2-CG 4.33Å; F723-Y772 HydrophobicContact CG-CD1 4.21Å; F723-Y772 HydrophobicContact CG-CD2 4.23Å; F723-Y772 HydrophobicContact CG-CE1 4.45Å; F723-Y772 HydrophobicContact CG-CE2 4.45Å; F723-Y772 HydrophobicContact CG-CG 4.05Å
724Q86.3Confident85.9Confident111 Ų11180.9 Ų80.952%0.51940%0.399SS..Hα-helixtrans-60.3-41.9178.4-73.4175.6800111.9K720 K721 Q722 C727 K728K720-Q724 WeakPolarHBondContact O-CG 3.42Å; K720-Q724 PolarHBondContact O-N 3.28Å; K721-Q724 PolarHBondContact O-N 3Å; Q722-Q724 PolarHBondContact O-N 3.4Å; Q724-C727 PolarHBondContact O-N 2.94Å; Q724-K728 WeakPolarHBondContact O-CG 3.36Å; Q724-K728 PolarHBondContact O-N 3.16Å
725D88.1Confident86Confident67 Ų6784.2 Ų84.236%0.35840%0.402SS..Hα-helixtrans-69.5-40.2179-68.9-23.9000111.7K721 Q722 F723 C727 K728 V729K721-D725 PolarHBondContact O-N 2.96Å; Q722-D725 PolarHBondContact O-N 3.34Å; F723-D725 VanDerWaalsContact C-N 3.32Å; F723-D725 PolarHBondContact O-N 2.94Å; D725-C727 VanDerWaalsContact C-N 3.33Å; D725-C727 PolarHBondContact O-N 3.44Å; D725-K728 WeakPolarHBondContact O-CB 3.47Å; D725-K728 PolarHBondContact O-N 3.41Å; D725-K728 IonicContact OD1-NZ 2.77Å; D725-K728 PolarHBondContact OD1-NZ 2.93Å; D725-V729 WeakPolarHBondContact O-CG2 3.46Å; D725-V729 PolarHBondContact O-N 2.89Å
726T86.5Confident86.2Confident47 Ų4783.4 Ų83.429%0.28841%0.407SS..Hα-helixtrans-60.8-41.6171.9-550000111.6Q722 F723 K728 V729 Q730 L768 Y772Q722-T726 PolarHBondContact O-N 3.02Å; Q722-T726 PolarHBondContact O-OG1 2.92Å; F723-T726 PolarHBondContact O-N 3.27Å; T726-K728 PolarHBondContact O-N 3.36Å; T726-V729 PolarHBondContact O-N 3.12Å; T726-Q730 WeakPolarHBondContact O-CB 3.26Å; T726-Q730 WeakPolarHBondContact O-CG 3.18Å; T726-Q730 PolarHBondContact O-N 3Å; T726-L768 HydrophobicContact CG2-CD1 4.2Å; T726-L768 HydrophobicContact CG2-CD2 3.82Å; T726-Y772 PolarHBondContact OG1-OH 3.29Å
727C86.4Confident86.1Confident24 Ų2484.7 Ų84.716%0.16242%0.415CS..Hα-helixtrans-63.8-39.5175.8-72.50000112.4F723 Q724 D725 Q730 T731 L765F723-C727 VanDerWaalsContact CE2-SG 3.51Å; F723-C727 VanDerWaalsContact CZ-SG 3.5Å; F723-C727 WeakPolarHBondContact O-CB 3.35Å; F723-C727 PolarHBondContact O-N 3Å; F723-C727 PolarHBondContact O-SG 3.02Å; Q724-C727 PolarHBondContact O-N 2.94Å; D725-C727 VanDerWaalsContact C-N 3.33Å; D725-C727 PolarHBondContact O-N 3.44Å; C727-Q730 PolarHBondContact O-N 3.24Å; C727-T731 VanDerWaalsContact O-CB 3.31Å; C727-T731 WeakPolarHBondContact O-CB 3.38Å; C727-T731 PolarHBondContact O-N 3.06Å; C727-T731 PolarHBondContact O-OG1 3.49Å; C727-L765 HydrophobicContact CB-CD2 4.42Å
728K88.7Confident86.1Confident114 Ų11481.3 Ų81.350%0.49640%0.397SS..Hα-helixtrans-62.8-42.6174.2-71.6169.7-162.6157.70111.2Q724 D725 T726 T731 K732Q724-K728 WeakPolarHBondContact O-CG 3.36Å; Q724-K728 PolarHBondContact O-N 3.16Å; D725-K728 WeakPolarHBondContact O-CB 3.47Å; D725-K728 PolarHBondContact O-N 3.41Å; D725-K728 IonicContact OD1-NZ 2.77Å; D725-K728 PolarHBondContact OD1-NZ 2.93Å; T726-K728 PolarHBondContact O-N 3.36Å; K728-T731 PolarHBondContact O-N 3.04Å; K728-K732 WeakPolarHBondContact O-CG 3.44Å; K728-K732 PolarHBondContact O-N 2.85Å
729V87.3Confident86.1Confident78 Ų7880 Ų8047%0.47339%0.394SS..Hα-helixtrans-63.6-49.8176.8173.20000110.8D725 T726 T731 K732 Q733D725-V729 WeakPolarHBondContact O-CG2 3.46Å; D725-V729 PolarHBondContact O-N 2.89Å; T726-V729 PolarHBondContact O-N 3.12Å; V729-T731 VanDerWaalsContact C-N 3.27Å; V729-T731 PolarHBondContact O-N 3.18Å; V729-K732 PolarHBondContact O-N 3.48Å; V729-K732 VanDerWaalsContact O-N 3.11Å; V729-Q733 HydrophobicContact CG1-CG 4.44Å; V729-Q733 WeakPolarHBondContact O-CG 3.27Å; V729-Q733 PolarHBondContact O-N 2.88Å
730Q84.3Confident86.1Confident75 Ų7584.2 Ų84.235%0.3541%0.413SS..Hα-helixtrans-57.5-39.5175.9-75.4-69.6-28.300111.9T726 C727 Q733 Y734T726-Q730 WeakPolarHBondContact O-CB 3.26Å; T726-Q730 WeakPolarHBondContact O-CG 3.18Å; T726-Q730 PolarHBondContact O-N 3Å; C727-Q730 PolarHBondContact O-N 3.24Å; Q730-Q733 PolarHBondContact O-N 3.06Å; Q730-Y734 VanDerWaalsContact O-CB 3.29Å; Q730-Y734 WeakPolarHBondContact O-CB 3.4Å; Q730-Y734 PolarHBondContact O-N 2.96Å
731T84.6Confident85.8Confident49 Ų4983 Ų8330%0.30141%0.408SS..Hα-helixtrans-67.9-38.3177-580000112.4C727 K728 V729 K735C727-T731 VanDerWaalsContact O-CB 3.31Å; C727-T731 WeakPolarHBondContact O-CB 3.38Å; C727-T731 PolarHBondContact O-N 3.06Å; C727-T731 PolarHBondContact O-OG1 3.49Å; K728-T731 PolarHBondContact O-N 3.04Å; V729-T731 VanDerWaalsContact C-N 3.27Å; V729-T731 PolarHBondContact O-N 3.18Å; T731-K735 WeakPolarHBondContact O-CG 3.38Å; T731-K735 PolarHBondContact O-N 3.25Å
732K87.2Confident85.4Confident155 Ų15580 Ų8067%0.67440%0.397SS*.Hα-helixtrans-66.4-45.4174.2-74.8177.6-179.6-178.60111.3K728 V729 Y734 K735 A736K728-K732 WeakPolarHBondContact O-CG 3.44Å; K728-K732 PolarHBondContact O-N 2.85Å; V729-K732 PolarHBondContact O-N 3.48Å; V729-K732 VanDerWaalsContact O-N 3.11Å; K732-Y734 VanDerWaalsContact C-N 3.33Å; K732-Y734 PolarHBondContact O-N 2.91Å; K732-K735 PolarHBondContact O-N 3.46Å; K732-A736 PolarHBondContact O-N 3.42Å
733Q84.1Confident85.2Confident107 Ų10782.7 Ų82.750%0.541%0.41SS..Hα-helixtrans-60.4-43.1175.7-72.6177-14.500111.4V729 Q730 K735 A736 L737V729-Q733 HydrophobicContact CG1-CG 4.44Å; V729-Q733 WeakPolarHBondContact O-CG 3.27Å; V729-Q733 PolarHBondContact O-N 2.88Å; Q730-Q733 PolarHBondContact O-N 3.06Å; Q733-K735 PolarHBondContact O-N 3.14Å; Q733-A736 PolarHBondContact O-N 3.01Å; Q733-L737 WeakPolarHBondContact O-CB 3.4Å; Q733-L737 PolarHBondContact O-N 3.42Å
734Y86.9Confident84.9Confident35 Ų3584.9 Ų84.914%0.13743%0.428CS..Hα-helixtrans-59-46.2173.7175.9-100.8000112.5Q730 K732 A736 L737 K738 L757 K758 Q761Q730-Y734 VanDerWaalsContact O-CB 3.29Å; Q730-Y734 WeakPolarHBondContact O-CB 3.4Å; Q730-Y734 PolarHBondContact O-N 2.96Å; K732-Y734 VanDerWaalsContact C-N 3.33Å; K732-Y734 PolarHBondContact O-N 2.91Å; Y734-A736 VanDerWaalsContact C-N 3.33Å; Y734-A736 PolarHBondContact O-N 3.02Å; Y734-L737 PolarHBondContact O-N 3.19Å; Y734-K738 HydrophobicContact CE1-CD 4.27Å; Y734-K738 WeakPolarHBondContact O-CB 3.47Å; Y734-K738 PolarHBondContact O-N 2.97Å; Y734-L757 HydrophobicContact CE2-CB 3.78Å; Y734-L757 VanDerWaalsContact CE2-O 3.24Å; Y734-L757 WeakPolarHBondContact CE2-O 3.39Å; Y734-K758 WeakPolarHBondContact OH-CA 3.45Å; Y734-K758 PolarHBondContact OH-N 2.81Å; Y734-Q761 VanDerWaalsContact CD1-CD 3.49Å; Y734-Q761 HydrophobicContact CD1-CG 4.4Å; Y734-Q761 HydrophobicContact CD2-CB 3.77Å; Y734-Q761 HydrophobicContact CD2-CG 3.95Å; Y734-Q761 HydrophobicContact CE2-CB 3.72Å; Y734-Q761 HydrophobicContact CE2-CG 4.25Å; Y734-Q761 HydrophobicContact CG-CB 4.34Å; Y734-Q761 HydrophobicContact CG-CG 4.01Å
735K85.6Confident84.4Confident131 Ų13181.2 Ų81.257%0.5741%0.413SS*.Hα-helixtrans-60.8-42.5176.7-75.3178.3-179.2-1770111.7T731 K732 Q733 N739T731-K735 WeakPolarHBondContact O-CG 3.38Å; T731-K735 PolarHBondContact O-N 3.25Å; K732-K735 PolarHBondContact O-N 3.46Å; Q733-K735 PolarHBondContact O-N 3.14Å; K735-N739 WeakPolarHBondContact O-CB 3.22Å; K735-N739 PolarHBondContact O-N 3.39Å; K735-N739 PolarHBondContact O-OD1 3.22Å
736A85.4Confident83.9Confident60 Ų6081.4 Ų81.450%0.49642%0.418SS..Hα-helixtrans-64.3-47.1176.600000111.9K732 Q733 Y734 K738 N739 H740K732-A736 PolarHBondContact O-N 3.42Å; Q733-A736 PolarHBondContact O-N 3.01Å; Y734-A736 VanDerWaalsContact C-N 3.33Å; Y734-A736 PolarHBondContact O-N 3.02Å; A736-K738 PolarHBondContact O-N 3.3Å; A736-N739 PolarHBondContact O-N 3.01Å; A736-H740 WeakPolarHBondContact O-CB 3.46Å; A736-H740 PolarHBondContact O-N 3.16Å
737L84.6Confident83.3Confident78 Ų7888 Ų8841%0.40844%0.443SS..Hα-helixtrans-62.5-43177.7-176.466.9000111.9Q733 Y734 H740 Q741 L757Q733-L737 WeakPolarHBondContact O-CB 3.4Å; Q733-L737 PolarHBondContact O-N 3.42Å; Y734-L737 PolarHBondContact O-N 3.19Å; L737-H740 PolarHBondContact O-N 2.77Å; L737-Q741 WeakPolarHBondContact O-CB 3.46Å; L737-Q741 PolarHBondContact O-N 3.47Å; L737-L757 HydrophobicContact CD2-CD2 4.1Å; L737-L757 HydrophobicContact CG-CD2 4.48Å
738K85.7Confident83Confident70 Ų7093 Ų9330%0.30447%0.468SS..Hα-helixtrans-59.6-47.9175.2-179.1-164.3176.6-1670111.2Y734 A736 Q741 L742 L754 L757Y734-K738 HydrophobicContact CE1-CD 4.27Å; Y734-K738 WeakPolarHBondContact O-CB 3.47Å; Y734-K738 PolarHBondContact O-N 2.97Å; A736-K738 PolarHBondContact O-N 3.3Å; K738-Q741 PolarHBondContact O-N 3.43Å; K738-L742 HydrophobicContact CG-CD1 4.12Å; K738-L742 WeakPolarHBondContact O-CB 3.46Å; K738-L742 VanDerWaalsContact O-CG 3.25Å; K738-L742 WeakPolarHBondContact O-CG 3.5Å; K738-L742 PolarHBondContact O-N 3.17Å; K738-L754 HydrophobicContact CD-CD2 4.1Å; K738-L754 HydrophobicContact CG-CD2 3.92Å; K738-L757 HydrophobicContact CB-CD1 4.31Å; K738-L757 HydrophobicContact CG-CD1 4.42Å
739N83.9Confident82.6Confident92 Ų9292.2 Ų92.249%0.49247%0.466SS..Hα-helixtrans-62.9-45.8179.4-71.6-4.5000111K735 A736 Q741 L742 E743K735-N739 WeakPolarHBondContact O-CB 3.22Å; K735-N739 PolarHBondContact O-N 3.39Å; K735-N739 PolarHBondContact O-OD1 3.22Å; A736-N739 PolarHBondContact O-N 3.01Å; N739-Q741 PolarHBondContact O-N 2.99Å; N739-L742 PolarHBondContact O-N 2.94Å; N739-E743 WeakPolarHBondContact O-CG 3.44Å; N739-E743 PolarHBondContact O-N 3.04Å
740H84.6Confident82.2Confident111 Ų11190.5 Ų90.551%0.51445%0.452SS..Hα-helixtrans-61.2-44.8177-175.960.9000112.6A736 L737 L742 E743 V744A736-H740 WeakPolarHBondContact O-CB 3.46Å; A736-H740 PolarHBondContact O-N 3.16Å; L737-H740 PolarHBondContact O-N 2.77Å; H740-L742 VanDerWaalsContact C-N 3.32Å; H740-L742 PolarHBondContact O-N 3.32Å; H740-E743 PolarHBondContact O-N 3.34Å; H740-V744 WeakPolarHBondContact O-CG2 3.37Å; H740-V744 PolarHBondContact O-N 3.23Å; H740-V744 VanDerWaalsContact O-N 3.13Å
741Q80.1Confident82.1Confident68 Ų6895.5 Ų95.532%0.31847%0.473SS..Hα-helixtrans-65.5-33.3176.5-78.5-158.8-6.500112.9L737 K738 N739 E743 T745 I753 L757L737-Q741 WeakPolarHBondContact O-CB 3.46Å; L737-Q741 PolarHBondContact O-N 3.47Å; K738-Q741 PolarHBondContact O-N 3.43Å; N739-Q741 PolarHBondContact O-N 2.99Å; Q741-E743 VanDerWaalsContact C-N 3.34Å; Q741-T745 VanDerWaalsContact O-CB 3.31Å; Q741-T745 WeakPolarHBondContact O-CB 3.31Å; Q741-T745 PolarHBondContact O-N 3.47Å; Q741-T745 PolarHBondContact O-OG1 2.97Å; Q741-I753 HydrophobicContact CB-CG2 4.35Å; Q741-L757 HydrophobicContact CB-CD1 4.39Å
742L80.1Confident82Confident46 Ų4697.8 Ų97.824%0.24149%0.487CS..Hα-helixtrans-71.5-28.3175.5-71.1172000113.1K738 N739 H740 H750 L754K738-L742 HydrophobicContact CG-CD1 4.12Å; K738-L742 WeakPolarHBondContact O-CB 3.46Å; K738-L742 VanDerWaalsContact O-CG 3.25Å; K738-L742 WeakPolarHBondContact O-CG 3.5Å; K738-L742 PolarHBondContact O-N 3.17Å; N739-L742 PolarHBondContact O-N 2.94Å; H740-L742 VanDerWaalsContact C-N 3.32Å; H740-L742 PolarHBondContact O-N 3.32Å; L742-H750 HydrophobicContact CD2-CB 3.99Å; L742-H750 PolarHBondContact O-CE1 3.24Å; L742-H750 PolarHBondContact O-NE2 3.19Å; L742-H750 VanDerWaalsContact O-NE2 3.16Å; L742-L754 HydrophobicContact CD1-CD2 4.24Å; L742-L754 HydrophobicContact CD2-CD1 4.29Å; L742-L754 HydrophobicContact CD2-CD2 4.3Å; L742-L754 HydrophobicContact CD2-CG 4.15Å
743E80.7Confident81.7Confident160 Ų16091.9 Ų91.975%0.74846%0.462SS*.Hα-helixtrans-74.2-37175.1-76.9173-177.700112.8N739 H740 Q741N739-E743 WeakPolarHBondContact O-CG 3.44Å; N739-E743 PolarHBondContact O-N 3.04Å; H740-E743 PolarHBondContact O-N 3.34Å; Q741-E743 VanDerWaalsContact C-N 3.34Å
744V81.4Confident81.6Confident105 Ų10589.5 Ų89.564%0.63645%0.453SS*.Hα-helixtrans-86.9-20.4-174.2-179.70000113H740H740-V744 WeakPolarHBondContact O-CG2 3.37Å; H740-V744 PolarHBondContact O-N 3.23Å; H740-V744 VanDerWaalsContact O-N 3.13Å
745T76.4Confident81.6Confident34 Ų3494.5 Ų94.521%0.20948%0.476CS..SBendtrans-110.7143-169.8-30.60000112.4Q741 E749 H750 I753Q741-T745 VanDerWaalsContact O-CB 3.31Å; Q741-T745 WeakPolarHBondContact O-CB 3.31Å; Q741-T745 PolarHBondContact O-N 3.47Å; Q741-T745 PolarHBondContact O-OG1 2.97Å; T745-E749 HydrophobicContact CG2-CB 4.38Å; T745-H750 PolarHBondContact O-CD2 3.15Å; T745-H750 PolarHBondContact O-NE2 2.85Å; T745-I753 HydrophobicContact CG2-CD1 3.35Å
746P76.7Confident81.5Confident71 Ų7191.9 Ų91.946%0.46147%0.471SS..  trans-70.5151.1-177.827-34.9000114N748 E749 H750P746-N748 WeakPolarHBondContact CB-OD1 2.92Å; P746-N748 PolarHBondContact O-N 2.96Å; P746-N748 VanDerWaalsContact O-N 3.09Å; P746-N748 PolarHBondContact O-OD1 2.68Å; P746-E749 PolarHBondContact O-N 2.91Å; P746-H750 PolarHBondContact O-CD2 3.42Å; P746-H750 VanDerWaalsContact O-CD2 3.23Å
747K74.1Confident81.4Confident185 Ų18589.4 Ų89.480%0.80445%0.449SS*.THydrogen-bonded Turntrans-59.7-25.4-167.1-69.8-176.8178178.10115.4E749K747-E749 VanDerWaalsContact C-N 3.27Å; K747-E749 PolarHBondContact O-N 3.24Å
748N80.2Confident81.4Confident130 Ų13092 Ų9270%0.69546%0.457SS*.THydrogen-bonded Turntrans-68.5-22.2177.351.4-27.5000113.1P746P746-N748 WeakPolarHBondContact CB-OD1 2.92Å; P746-N748 PolarHBondContact O-N 2.96Å; P746-N748 VanDerWaalsContact O-N 3.09Å; P746-N748 PolarHBondContact O-OD1 2.68Å
749E80.9Confident81.4Confident97 Ų9792.7 Ų92.745%0.45346%0.464SS..THydrogen-bonded Turntrans-103.6-9.6-178-64.9-178-174.100113.7T745 P746 K747 K751 T752 I753T745-E749 HydrophobicContact CG2-CB 4.38Å; P746-E749 PolarHBondContact O-N 2.91Å; K747-E749 VanDerWaalsContact C-N 3.27Å; K747-E749 PolarHBondContact O-N 3.24Å; E749-K751 VanDerWaalsContact C-N 3.26Å; E749-K751 PolarHBondContact O-N 3.45Å; E749-K751 VanDerWaalsContact O-N 3.14Å; E749-T752 PolarHBondContact O-N 3.48Å; E749-T752 VanDerWaalsContact O-N 3.13Å; E749-I753 HydrophobicContact CB-CD1 4.12Å; E749-I753 PolarHBondContact O-N 3.08Å
750H79.4Confident81.4Confident41 Ų4192.5 Ų92.519%0.1946%0.46CS..Hα-helixtrans-53.1-39.5-177.1-76.7-167.4000113.4L742 T745 P746 T752 L754L742-H750 HydrophobicContact CD2-CB 3.99Å; L742-H750 PolarHBondContact O-CE1 3.24Å; L742-H750 PolarHBondContact O-NE2 3.19Å; L742-H750 VanDerWaalsContact O-NE2 3.16Å; T745-H750 PolarHBondContact O-CD2 3.15Å; T745-H750 PolarHBondContact O-NE2 2.85Å; P746-H750 PolarHBondContact O-CD2 3.42Å; P746-H750 VanDerWaalsContact O-CD2 3.23Å; H750-T752 PolarHBondContact O-N 3.31Å; H750-L754 VanDerWaalsContact O-CB 3.25Å; H750-L754 WeakPolarHBondContact O-CB 3.4Å; H750-L754 WeakPolarHBondContact O-CD1 3.38Å; H750-L754 WeakPolarHBondContact O-CG 3.5Å; H750-L754 PolarHBondContact O-N 3.19Å
751K82.4Confident81.3Confident181 Ų18189.3 Ų89.379%0.78745%0.445SS*.Hα-helixtrans-65.4-39.5-177.6-170.6178.2-179.7-179.20112.5E749 K755E749-K751 VanDerWaalsContact C-N 3.26Å; E749-K751 PolarHBondContact O-N 3.45Å; E749-K751 VanDerWaalsContact O-N 3.14Å; K751-K755 PolarHBondContact O-N 3.17Å
752T81.7Confident81.5Confident97 Ų9790 Ų9060%0.59546%0.455SS*.Hα-helixtrans-73.3-43.4-178.5-48.80000110.4E749 H750 K755 T756E749-T752 PolarHBondContact O-N 3.48Å; E749-T752 VanDerWaalsContact O-N 3.13Å; H750-T752 PolarHBondContact O-N 3.31Å; T752-K755 WeakPolarHBondContact O-CB 3.42Å; T752-K755 PolarHBondContact O-N 2.93Å; T752-T756 PolarHBondContact O-N 3.46Å; T752-T756 PolarHBondContact O-OG1 3.4Å
753I81.2Confident81.9Confident30 Ų3096.3 Ų96.315%0.15448%0.475CS..Hα-helixtrans-65.6-41178.5-66.9169.3000111.7Q741 T745 E749 K755 T756 L757Q741-I753 HydrophobicContact CB-CG2 4.35Å; T745-I753 HydrophobicContact CG2-CD1 3.35Å; E749-I753 HydrophobicContact CB-CD1 4.12Å; E749-I753 PolarHBondContact O-N 3.08Å; I753-K755 VanDerWaalsContact C-N 3.25Å; I753-K755 PolarHBondContact O-N 3.32Å; I753-T756 WeakPolarHBondContact CA-OG1 3.47Å; I753-T756 PolarHBondContact O-N 2.99Å; I753-T756 PolarHBondContact O-OG1 3.5Å; I753-L757 HydrophobicContact CG2-CD1 3.93Å; I753-L757 HydrophobicContact CG2-CG 4.26Å; I753-L757 VanDerWaalsContact O-CB 3.25Å; I753-L757 WeakPolarHBondContact O-CB 3.33Å; I753-L757 WeakPolarHBondContact O-CG 3.28Å; I753-L757 PolarHBondContact O-N 3.15Å
754L82.1Confident82.1Confident58 Ų5893.8 Ų93.830%0.30446%0.462SS..Hα-helixtrans-62.1-34.5175-78.1171.7000112.8K738 L742 H750 K758K738-L754 HydrophobicContact CD-CD2 4.1Å; K738-L754 HydrophobicContact CG-CD2 3.92Å; L742-L754 HydrophobicContact CD1-CD2 4.24Å; L742-L754 HydrophobicContact CD2-CD1 4.29Å; L742-L754 HydrophobicContact CD2-CD2 4.3Å; L742-L754 HydrophobicContact CD2-CG 4.15Å; H750-L754 VanDerWaalsContact O-CB 3.25Å; H750-L754 WeakPolarHBondContact O-CB 3.4Å; H750-L754 WeakPolarHBondContact O-CD1 3.38Å; H750-L754 WeakPolarHBondContact O-CG 3.5Å; H750-L754 PolarHBondContact O-N 3.19Å; L754-K758 VanDerWaalsContact O-CB 3.25Å; L754-K758 WeakPolarHBondContact O-CB 3.26Å; L754-K758 PolarHBondContact O-N 2.83Å; L754-K758 VanDerWaalsContact O-N 3.17Å
755K85.9Confident82.3Confident140 Ų14091.3 Ų91.361%0.60945%0.445SS*.Hα-helixtrans-70.8-48.7176.7-171.9-177.7176.8-172.90110.8K751 T752 I753 K758 D759K751-K755 PolarHBondContact O-N 3.17Å; T752-K755 WeakPolarHBondContact O-CB 3.42Å; T752-K755 PolarHBondContact O-N 2.93Å; I753-K755 VanDerWaalsContact C-N 3.25Å; I753-K755 PolarHBondContact O-N 3.32Å; K755-K758 PolarHBondContact O-N 3.35Å; K755-D759 VanDerWaalsContact O-CG 3.25Å; K755-D759 PolarHBondContact O-N 3.47Å
756T84Confident82.8Confident76 Ų7692.5 Ų92.547%0.46646%0.458SS..Hα-helixtrans-63.2-43.9179.651.30000112.2T752 I753 K758 D759 E760T752-T756 PolarHBondContact O-N 3.46Å; T752-T756 PolarHBondContact O-OG1 3.4Å; I753-T756 WeakPolarHBondContact CA-OG1 3.47Å; I753-T756 PolarHBondContact O-N 2.99Å; I753-T756 PolarHBondContact O-OG1 3.5Å; T756-K758 VanDerWaalsContact C-N 3.32Å; T756-K758 PolarHBondContact O-N 2.98Å; T756-D759 PolarHBondContact O-N 3.35Å; T756-E760 WeakPolarHBondContact O-CB 3.42Å; T756-E760 PolarHBondContact O-N 3Å
757L83.8Confident83.3Confident7 Ų793 Ų934%0.03746%0.456CS..Hα-helixtrans-58.5-43.2174.2-80.1179.3000111.7Y734 L737 K738 Q741 I753 E760 Q761Y734-L757 HydrophobicContact CE2-CB 3.78Å; Y734-L757 VanDerWaalsContact CE2-O 3.24Å; Y734-L757 WeakPolarHBondContact CE2-O 3.39Å; L737-L757 HydrophobicContact CD2-CD2 4.1Å; L737-L757 HydrophobicContact CG-CD2 4.48Å; K738-L757 HydrophobicContact CB-CD1 4.31Å; K738-L757 HydrophobicContact CG-CD1 4.42Å; Q741-L757 HydrophobicContact CB-CD1 4.39Å; I753-L757 HydrophobicContact CG2-CD1 3.93Å; I753-L757 HydrophobicContact CG2-CG 4.26Å; I753-L757 VanDerWaalsContact O-CB 3.25Å; I753-L757 WeakPolarHBondContact O-CB 3.33Å; I753-L757 WeakPolarHBondContact O-CG 3.28Å; I753-L757 PolarHBondContact O-N 3.15Å; L757-E760 PolarHBondContact O-N 3.08Å; L757-Q761 WeakPolarHBondContact O-CB 3.2Å; L757-Q761 PolarHBondContact O-N 2.98Å
758K84Confident83.9Confident132 Ų13285.4 Ų85.457%0.57442%0.424SS*.Hα-helixtrans-67.6-40.9178.9-170.8-178.6179.8-173.80112.1Y734 L754 K755 T756 E760 Q761 T762Y734-K758 WeakPolarHBondContact OH-CA 3.45Å; Y734-K758 PolarHBondContact OH-N 2.81Å; L754-K758 VanDerWaalsContact O-CB 3.25Å; L754-K758 WeakPolarHBondContact O-CB 3.26Å; L754-K758 PolarHBondContact O-N 2.83Å; L754-K758 VanDerWaalsContact O-N 3.17Å; K755-K758 PolarHBondContact O-N 3.35Å; T756-K758 VanDerWaalsContact C-N 3.32Å; T756-K758 PolarHBondContact O-N 2.98Å; K758-E760 VanDerWaalsContact C-N 3.33Å; K758-Q761 PolarHBondContact O-N 2.99Å; K758-T762 WeakPolarHBondContact O-CB 3.49Å; K758-T762 PolarHBondContact O-N 2.95Å; K758-T762 PolarHBondContact O-OG1 3.06Å
759D85.1Confident84.1Confident85 Ų8581.1 Ų81.146%0.45541%0.407SS..Hα-helixtrans-65.4-39176.2-67.2-17000110.6K755 T756 T762 R763K755-D759 VanDerWaalsContact O-CG 3.25Å; K755-D759 PolarHBondContact O-N 3.47Å; T756-D759 PolarHBondContact O-N 3.35Å; D759-T762 PolarHBondContact O-N 2.97Å; D759-R763 WeakPolarHBondContact O-CB 3.44Å; D759-R763 PolarHBondContact O-N 3.22Å
760E84.1Confident84.5Confident88 Ų8882 Ų8241%0.41141%0.411SS..Hα-helixtrans-69-40.3176-163.3-177.8157.900112.5T756 L757 K758 T762 R763 K764T756-E760 WeakPolarHBondContact O-CB 3.42Å; T756-E760 PolarHBondContact O-N 3Å; L757-E760 PolarHBondContact O-N 3.08Å; K758-E760 VanDerWaalsContact C-N 3.33Å; E760-T762 VanDerWaalsContact C-N 3.33Å; E760-T762 PolarHBondContact O-N 3.42Å; E760-R763 PolarHBondContact O-N 3.45Å; E760-K764 HydrophobicContact CG-CD 4.36Å; E760-K764 WeakPolarHBondContact O-CB 3.44Å; E760-K764 WeakPolarHBondContact O-CG 3.41Å; E760-K764 PolarHBondContact O-N 3.35Å; E760-K764 WeakPolarHBondContact OE1-CE 3.43Å; E760-K764 IonicContact OE1-NZ 3.74Å; E760-K764 PolarHBondContact OE1-NZ 3.13Å
761Q83.3Confident84.9Confident44 Ų4485.3 Ų85.321%0.20643%0.426CS..Hα-helixtrans-58.8-45.9172.3-174.3-171.81800111.1Y734 L757 K758 K764 L765Y734-Q761 VanDerWaalsContact CD1-CD 3.49Å; Y734-Q761 HydrophobicContact CD1-CG 4.4Å; Y734-Q761 HydrophobicContact CD2-CB 3.77Å; Y734-Q761 HydrophobicContact CD2-CG 3.95Å; Y734-Q761 HydrophobicContact CE2-CB 3.72Å; Y734-Q761 HydrophobicContact CE2-CG 4.25Å; Y734-Q761 HydrophobicContact CG-CB 4.34Å; Y734-Q761 HydrophobicContact CG-CG 4.01Å; L757-Q761 WeakPolarHBondContact O-CB 3.2Å; L757-Q761 PolarHBondContact O-N 2.98Å; K758-Q761 PolarHBondContact O-N 2.99Å; Q761-K764 PolarHBondContact O-N 3.11Å; Q761-L765 HydrophobicContact CG-CD1 4.11Å; Q761-L765 WeakPolarHBondContact O-CB 3.13Å; Q761-L765 WeakPolarHBondContact O-CG 3.21Å; Q761-L765 PolarHBondContact O-N 2.99Å
762T84.3Confident85Confident84 Ų8478.9 Ų78.952%0.51540%0.398SS..Hα-helixtrans-63.8-42.7-179.8-52.60000110.8K758 D759 E760 L765 A766K758-T762 WeakPolarHBondContact O-CB 3.49Å; K758-T762 PolarHBondContact O-N 2.95Å; K758-T762 PolarHBondContact O-OG1 3.06Å; D759-T762 PolarHBondContact O-N 2.97Å; E760-T762 VanDerWaalsContact C-N 3.33Å; E760-T762 PolarHBondContact O-N 3.42Å; T762-L765 PolarHBondContact O-N 3.33Å; T762-A766 WeakPolarHBondContact O-CB 3.5Å; T762-A766 PolarHBondContact O-N 3.33Å
763R87.8Confident85.3Confident178 Ų17880.4 Ų80.467%0.67240%0.398SS*.Hα-helixtrans-63.9-45.8176.3-169.3-175.1-61.7-178.40.4112.5D759 E760 L765 A766 I767D759-R763 WeakPolarHBondContact O-CB 3.44Å; D759-R763 PolarHBondContact O-N 3.22Å; E760-R763 PolarHBondContact O-N 3.45Å; R763-L765 PolarHBondContact O-N 2.92Å; R763-A766 PolarHBondContact O-N 3.1Å; R763-I767 HydrophobicContact CG-CD1 4.22Å; R763-I767 WeakPolarHBondContact O-CG1 3.38Å; R763-I767 PolarHBondContact O-N 3.23Å
764K85.6Confident85.6Confident106 Ų10683.6 Ų83.646%0.46141%0.412SS..Hα-helixtrans-63.2-40.3178.4-78.8174.2169.1162.50111.9E760 Q761 L768E760-K764 HydrophobicContact CG-CD 4.36Å; E760-K764 WeakPolarHBondContact O-CB 3.44Å; E760-K764 WeakPolarHBondContact O-CG 3.41Å; E760-K764 PolarHBondContact O-N 3.35Å; E760-K764 WeakPolarHBondContact OE1-CE 3.43Å; E760-K764 IonicContact OE1-NZ 3.74Å; E760-K764 PolarHBondContact OE1-NZ 3.13Å; Q761-K764 PolarHBondContact O-N 3.11Å; K764-L768 WeakPolarHBondContact O-CB 3.45Å; K764-L768 PolarHBondContact O-N 3.42Å
765L84.9Confident85.8Confident54 Ų5483.5 Ų83.528%0.28342%0.416SS..Hα-helixtrans-67.2-35.1174.7-72.6172.4000112.6C727 Q761 T762 R763 A769C727-L765 HydrophobicContact CB-CD2 4.42Å; Q761-L765 HydrophobicContact CG-CD1 4.11Å; Q761-L765 WeakPolarHBondContact O-CB 3.13Å; Q761-L765 WeakPolarHBondContact O-CG 3.21Å; Q761-L765 PolarHBondContact O-N 2.99Å; T762-L765 PolarHBondContact O-N 3.33Å; R763-L765 PolarHBondContact O-N 2.92Å; L765-A769 WeakPolarHBondContact O-CB 3.49Å; L765-A769 PolarHBondContact O-N 3.13Å
766A86.8Confident85.8Confident59 Ų5978.1 Ų78.149%0.48839%0.394SS..Hα-helixtrans-67.2-45.8176.100000112.4T762 R763 L768 A769 E770T762-A766 WeakPolarHBondContact O-CB 3.5Å; T762-A766 PolarHBondContact O-N 3.33Å; R763-A766 PolarHBondContact O-N 3.1Å; A766-L768 VanDerWaalsContact C-N 3.3Å; A766-L768 PolarHBondContact O-N 3.37Å; A766-A769 WeakPolarHBondContact O-CB 3.46Å; A766-A769 PolarHBondContact O-N 3.47Å; A766-E770 PolarHBondContact O-N 3.03Å
767I88.1Confident85.9Confident81 Ų8179.2 Ų79.242%0.41540%0.397SS..Hα-helixtrans-61.7-41.7175.2-66.3167.1000110.5R763 E770 Q771R763-I767 HydrophobicContact CG-CD1 4.22Å; R763-I767 WeakPolarHBondContact O-CG1 3.38Å; R763-I767 PolarHBondContact O-N 3.23Å; I767-E770 PolarHBondContact O-N 3.08Å; I767-Q771 WeakPolarHBondContact O-CG 3.49Å; I767-Q771 PolarHBondContact O-N 3.45Å
768L86.4Confident86Confident25 Ų2585.5 Ų85.513%0.13143%0.426CS..Hα-helixtrans-60.5-48175.4-164.572.3000110.2F723 T726 K764 A766 E770 Q771 Y772F723-L768 HydrophobicContact CD2-CD2 4.2Å; F723-L768 HydrophobicContact CD2-CG 4.24Å; F723-L768 HydrophobicContact CE2-CB 4.32Å; F723-L768 HydrophobicContact CE2-CD2 3.89Å; F723-L768 HydrophobicContact CE2-CG 3.89Å; T726-L768 HydrophobicContact CG2-CD1 4.2Å; T726-L768 HydrophobicContact CG2-CD2 3.82Å; K764-L768 WeakPolarHBondContact O-CB 3.45Å; K764-L768 PolarHBondContact O-N 3.42Å; A766-L768 VanDerWaalsContact C-N 3.3Å; A766-L768 PolarHBondContact O-N 3.37Å; L768-E770 VanDerWaalsContact C-N 3.32Å; L768-E770 PolarHBondContact O-N 3.07Å; L768-Q771 PolarHBondContact O-N 2.87Å; L768-Y772 HydrophobicContact CD1-CD2 4.16Å; L768-Y772 HydrophobicContact CD1-CE2 3.69Å; L768-Y772 HydrophobicContact CD2-CE2 4.33Å; L768-Y772 HydrophobicContact CG-CD2 3.9Å; L768-Y772 HydrophobicContact CG-CE2 3.72Å; L768-Y772 VanDerWaalsContact O-CD2 3.23Å; L768-Y772 WeakPolarHBondContact O-CD2 3.46Å; L768-Y772 PolarHBondContact O-N 2.78Å
769A85Confident86.2Confident41 Ų4180.8 Ų80.834%0.33941%0.406SS..Hα-helixtrans-57.1-43.817800000112.5F723 L765 A766 Y772 E773F723-A769 HydrophobicContact CE2-CB 4.41Å; F723-A769 HydrophobicContact CZ-CB 4.06Å; L765-A769 WeakPolarHBondContact O-CB 3.49Å; L765-A769 PolarHBondContact O-N 3.13Å; A766-A769 WeakPolarHBondContact O-CB 3.46Å; A766-A769 PolarHBondContact O-N 3.47Å; A769-Y772 PolarHBondContact O-N 2.9Å; A769-E773 WeakPolarHBondContact O-CB 3.39Å; A769-E773 PolarHBondContact O-N 3.34Å
770E89.3Confident86.1Confident114 Ų11479.8 Ų79.853%0.53340%0.4SS..Hα-helixtrans-63.3-43.5177.8-172.1176.1-171.700112.5A766 I767 L768 Y772 E773 Q774A766-E770 PolarHBondContact O-N 3.03Å; I767-E770 PolarHBondContact O-N 3.08Å; L768-E770 VanDerWaalsContact C-N 3.32Å; L768-E770 PolarHBondContact O-N 3.07Å; E770-Y772 VanDerWaalsContact C-N 3.33Å; E770-Y772 PolarHBondContact O-N 2.95Å; E770-E773 PolarHBondContact O-N 3Å; E770-Q774 WeakPolarHBondContact O-CG 3.43Å; E770-Q774 PolarHBondContact O-N 2.81Å
771Q86.7Confident86.1Confident111 Ų11178.3 Ų78.352%0.51940%0.402SS..Hα-helixtrans-62.6-38.3176-73.7177.1-15.200112.6I767 L768 S775I767-Q771 WeakPolarHBondContact O-CG 3.49Å; I767-Q771 PolarHBondContact O-N 3.45Å; L768-Q771 PolarHBondContact O-N 2.87Å; Q771-S775 WeakPolarHBondContact O-CB 3.38Å; Q771-S775 PolarHBondContact O-N 3.21Å
772Y86Confident86.3Confident47 Ų4778.2 Ų78.218%0.18441%0.407CS..Hα-helixtrans-72.2-36.8176.9-86.6-91000112.3I719 Q722 F723 T726 L768 A769 E770 S775 I776I719-Y772 HydrophobicContact CG2-CD1 3.86Å; I719-Y772 HydrophobicContact CG2-CE1 4.39Å; Q722-Y772 HydrophobicContact CB-CE1 4.45Å; F723-Y772 HydrophobicContact CB-CD1 3.6Å; F723-Y772 HydrophobicContact CB-CD2 4.37Å; F723-Y772 HydrophobicContact CB-CE1 3.61Å; F723-Y772 HydrophobicContact CB-CE2 4.37Å; F723-Y772 HydrophobicContact CB-CG 3.97Å; F723-Y772 HydrophobicContact CD2-CD1 4.07Å; F723-Y772 AromaticContact CD2-CD2 3.3Å; F723-Y772 HydrophobicContact CD2-CD2 3.3Å; F723-Y772 HydrophobicContact CD2-CE1 4.29Å; F723-Y772 AromaticContact CD2-CE2 3.56Å; F723-Y772 HydrophobicContact CD2-CE2 3.56Å; F723-Y772 AromaticContact CD2-CG 3.53Å; F723-Y772 HydrophobicContact CD2-CG 3.53Å; F723-Y772 AromaticContact CE2-CD2 3.94Å; F723-Y772 HydrophobicContact CE2-CD2 3.94Å; F723-Y772 HydrophobicContact CE2-CE2 4.38Å; F723-Y772 HydrophobicContact CE2-CG 4.33Å; F723-Y772 HydrophobicContact CG-CD1 4.21Å; F723-Y772 HydrophobicContact CG-CD2 4.23Å; F723-Y772 HydrophobicContact CG-CE1 4.45Å; F723-Y772 HydrophobicContact CG-CE2 4.45Å; F723-Y772 HydrophobicContact CG-CG 4.05Å; T726-Y772 PolarHBondContact OG1-OH 3.29Å; L768-Y772 HydrophobicContact CD1-CD2 4.16Å; L768-Y772 HydrophobicContact CD1-CE2 3.69Å; L768-Y772 HydrophobicContact CD2-CE2 4.33Å; L768-Y772 HydrophobicContact CG-CD2 3.9Å; L768-Y772 HydrophobicContact CG-CE2 3.72Å; L768-Y772 VanDerWaalsContact O-CD2 3.23Å; L768-Y772 WeakPolarHBondContact O-CD2 3.46Å; L768-Y772 PolarHBondContact O-N 2.78Å; A769-Y772 PolarHBondContact O-N 2.9Å; E770-Y772 VanDerWaalsContact C-N 3.33Å; E770-Y772 PolarHBondContact O-N 2.95Å; Y772-S775 PolarHBondContact O-N 2.99Å; Y772-I776 WeakPolarHBondContact O-CG1 3.21Å; Y772-I776 PolarHBondContact O-N 2.92Å
773E86.6Confident86.2Confident129 Ų12977.4 Ų77.460%0.60340%0.397SS*.Hα-helixtrans-65.4-41.7174.9-167.9168.8-167.600111.5A769 E770 I776 N777A769-E773 WeakPolarHBondContact O-CB 3.39Å; A769-E773 PolarHBondContact O-N 3.34Å; E770-E773 PolarHBondContact O-N 3Å; E773-I776 PolarHBondContact O-N 2.86Å; E773-N777 PolarHBondContact O-N 2.71Å; E773-N777 PolarHBondContact O-ND2 3.1Å
774Q88.3Confident85.9Confident97 Ų9770.6 Ų70.645%0.45338%0.379SS..Hα-helixtrans-59.7-46.8170.5-73.9174.51.100111.7E770 I776 N777 E778E770-Q774 WeakPolarHBondContact O-CG 3.43Å; E770-Q774 PolarHBondContact O-N 2.81Å; Q774-I776 VanDerWaalsContact C-N 3.33Å; Q774-I776 PolarHBondContact O-N 3.38Å; Q774-N777 PolarHBondContact O-N 2.6Å; Q774-E778 WeakPolarHBondContact O-CB 3.27Å; Q774-E778 WeakPolarHBondContact O-CG 3.4Å; Q774-E778 PolarHBondContact O-N 3.46Å
775S85.5Confident85.9Confident55 Ų5570.6 Ų70.639%0.38538%0.383SS..Hα-helixtrans-60.6-39178.6-178.10000113.1Q771 Y772 M779Q771-S775 WeakPolarHBondContact O-CB 3.38Å; Q771-S775 PolarHBondContact O-N 3.21Å; Y772-S775 PolarHBondContact O-N 2.99Å; S775-M779 VanDerWaalsContact O-CB 3.22Å; S775-M779 WeakPolarHBondContact O-CB 3.41Å; S775-M779 PolarHBondContact O-N 2.79Å
776I85.8Confident85.9Confident27 Ų2775.4 Ų75.414%0.13840%0.397CS..Hα-helixtrans-64.9-47.8174.6-68.8168.6000110.2E716 I719 Y772 E773 Q774 M779 M780E716-I776 HydrophobicContact CG-CD1 4.32Å; E716-I776 HydrophobicContact CG-CG2 4.14Å; I719-I776 HydrophobicContact CB-CG1 4.28Å; I719-I776 HydrophobicContact CD1-CG1 4.23Å; I719-I776 HydrophobicContact CG2-CD1 4.17Å; I719-I776 HydrophobicContact CG2-CG1 3.72Å; Y772-I776 WeakPolarHBondContact O-CG1 3.21Å; Y772-I776 PolarHBondContact O-N 2.92Å; E773-I776 PolarHBondContact O-N 2.86Å; Q774-I776 VanDerWaalsContact C-N 3.33Å; Q774-I776 PolarHBondContact O-N 3.38Å; I776-M779 PolarHBondContact O-N 2.9Å; I776-M780 HydrophobicContact CG2-CG 4.2Å; I776-M780 WeakPolarHBondContact O-CB 3.45Å; I776-M780 WeakPolarHBondContact O-CG 3.46Å; I776-M780 PolarHBondContact O-N 3.46Å
777N86.2Confident85.8Confident100 Ų10074.3 Ų74.354%0.53538%0.383SS..Hα-helixtrans-64-43.2-178.6-72.1-31.2000112.5E773 Q774 M780 A781E773-N777 PolarHBondContact O-N 2.71Å; E773-N777 PolarHBondContact O-ND2 3.1Å; Q774-N777 PolarHBondContact O-N 2.6Å; N777-M780 PolarHBondContact O-N 3.44Å; N777-A781 WeakPolarHBondContact O-CB 3.17Å; N777-A781 PolarHBondContact O-N 3Å
778E87.6Confident85.6Confident138 Ų13874.7 Ų74.765%0.64539%0.386SS*.Hα-helixtrans-62.8-43.2175.2-74.1178.8176.800112Q774 A781 S782Q774-E778 WeakPolarHBondContact O-CB 3.27Å; Q774-E778 WeakPolarHBondContact O-CG 3.4Å; Q774-E778 PolarHBondContact O-N 3.46Å; E778-A781 PolarHBondContact O-N 3.33Å; E778-S782 VanDerWaalsContact O-CB 3.3Å; E778-S782 WeakPolarHBondContact O-CB 3.44Å; E778-S782 PolarHBondContact O-N 3.19Å
779M86.8Confident85.7Confident33 Ų3379.4 Ų79.416%0.16341%0.408CS..Hα-helixtrans-61.8-47.4175.9176.2-82.6-65.600111.3L712 M715 I719 S775 I776 A781 S782 Q783L712-M779 HydrophobicContact CD2-SD 4.28Å; M715-M779 HydrophobicContact CB-CE 4.11Å; M715-M779 HydrophobicContact CB-SD 4.28Å; M715-M779 HydrophobicContact SD-SD 4.23Å; I719-M779 HydrophobicContact CD1-CB 4.48Å; I719-M779 HydrophobicContact CD1-CE 3.7Å; I719-M779 HydrophobicContact CD1-CG 4.35Å; S775-M779 VanDerWaalsContact O-CB 3.22Å; S775-M779 WeakPolarHBondContact O-CB 3.41Å; S775-M779 PolarHBondContact O-N 2.79Å; I776-M779 PolarHBondContact O-N 2.9Å; M779-A781 PolarHBondContact O-N 2.94Å; M779-S782 PolarHBondContact O-N 3.36Å; M779-Q783 VanDerWaalsContact O-CB 3.3Å; M779-Q783 WeakPolarHBondContact O-CB 3.46Å; M779-Q783 PolarHBondContact O-N 3.33Å
780M82.8Confident85.7Confident65 Ų6579.8 Ų79.832%0.3241%0.411SS..Hα-helixtrans-60-45.1179.2-68.5-73.3-7200111.7L712 I776 N777 A784L712-M780 HydrophobicContact CB-CE 4.05Å; L712-M780 HydrophobicContact CB-SD 3.72Å; L712-M780 HydrophobicContact CD1-CE 3.74Å; L712-M780 HydrophobicContact CD1-SD 3.98Å; L712-M780 HydrophobicContact CD2-SD 3.72Å; L712-M780 HydrophobicContact CG-CE 4.33Å; L712-M780 HydrophobicContact CG-SD 4Å; I776-M780 HydrophobicContact CG2-CG 4.2Å; I776-M780 WeakPolarHBondContact O-CB 3.45Å; I776-M780 WeakPolarHBondContact O-CG 3.46Å; I776-M780 PolarHBondContact O-N 3.46Å; N777-M780 PolarHBondContact O-N 3.44Å; M780-A784 WeakPolarHBondContact O-CB 3.32Å; M780-A784 PolarHBondContact O-N 3.12Å; M780-A784 VanDerWaalsContact O-N 3.11Å
781A84.4Confident85.7Confident56 Ų5675.4 Ų75.446%0.46339%0.39SS..Hα-helixtrans-66.4-44.4177.800000112.2N777 E778 M779 Q783 A784 L785N777-A781 WeakPolarHBondContact O-CB 3.17Å; N777-A781 PolarHBondContact O-N 3Å; E778-A781 PolarHBondContact O-N 3.33Å; M779-A781 PolarHBondContact O-N 2.94Å; A781-Q783 PolarHBondContact O-N 2.95Å; A781-A784 PolarHBondContact O-N 2.89Å; A781-L785 PolarHBondContact O-N 2.84Å; A781-L785 VanDerWaalsContact O-N 3.11Å
782S86.8Confident85.9Confident43 Ų4375.8 Ų75.830%0.30139%0.392SS..Hα-helixtrans-64.4-39.9178.5-171.30000112E778 M779 R786E778-S782 VanDerWaalsContact O-CB 3.3Å; E778-S782 WeakPolarHBondContact O-CB 3.44Å; E778-S782 PolarHBondContact O-N 3.19Å; M779-S782 PolarHBondContact O-N 3.36Å; S782-R786 WeakPolarHBondContact O-CB 3.48Å; S782-R786 WeakPolarHBondContact O-CG 3.38Å; S782-R786 PolarHBondContact O-N 3.49Å; S782-R786 PolarHBondContact OG-NE 3.35Å; S782-R786 PolarHBondContact OG-NH2 3.28Å
783Q83.1Confident86Confident67 Ų6776.1 Ų76.131%0.31341%0.405SS..Hα-helixtrans-70.2-34.7179.7-159.196.515.900112.1L712 M779 A781 L787L712-Q783 HydrophobicContact CD2-CB 3.83Å; L712-Q783 HydrophobicContact CD2-CG 3.76Å; M779-Q783 VanDerWaalsContact O-CB 3.3Å; M779-Q783 WeakPolarHBondContact O-CB 3.46Å; M779-Q783 PolarHBondContact O-N 3.33Å; A781-Q783 PolarHBondContact O-N 2.95Å; Q783-L787 PolarHBondContact O-N 3.39Å
784A82.1Confident86.1Confident34 Ų3473.2 Ų73.228%0.28139%0.391SS..Hα-helixtrans-65.5-50.8174.700000111.3M780 A781 R786 L787 D788M780-A784 WeakPolarHBondContact O-CB 3.32Å; M780-A784 PolarHBondContact O-N 3.12Å; M780-A784 VanDerWaalsContact O-N 3.11Å; A781-A784 PolarHBondContact O-N 2.89Å; A784-R786 PolarHBondContact O-N 2.95Å; A784-L787 PolarHBondContact O-N 2.89Å; A784-L787 VanDerWaalsContact O-N 3.15Å; A784-D788 PolarHBondContact O-N 3.24Å; A784-D788 VanDerWaalsContact O-N 3.14Å
785L84.6Confident86.2Confident106 Ų10670.8 Ų70.856%0.55538%0.384SS*.Hα-helixtrans-58-44.9176.8-82.6159.8000112.6A781 L787 D788 E789A781-L785 PolarHBondContact O-N 2.84Å; A781-L785 VanDerWaalsContact O-N 3.11Å; L785-L787 VanDerWaalsContact C-N 3.28Å; L785-L787 PolarHBondContact O-N 3.41Å; L785-D788 PolarHBondContact O-N 3.43Å; L785-E789 WeakPolarHBondContact O-CB 3.28Å; L785-E789 WeakPolarHBondContact O-CG 3.31Å; L785-E789 PolarHBondContact O-N 2.98Å
786R85.3Confident86.5Confident155 Ų15573.6 Ų73.659%0.58539%0.391SS*.Hα-helixtrans-62.1-35177.7-76.5-176.8-141.8-179.95113.1S782 A784 A790S782-R786 WeakPolarHBondContact O-CB 3.48Å; S782-R786 WeakPolarHBondContact O-CG 3.38Å; S782-R786 PolarHBondContact O-N 3.49Å; S782-R786 PolarHBondContact OG-NE 3.35Å; S782-R786 PolarHBondContact OG-NH2 3.28Å; A784-R786 PolarHBondContact O-N 2.95Å; R786-A790 WeakPolarHBondContact O-CB 3.39Å; R786-A790 PolarHBondContact O-N 3.41Å
787L84.2Confident86.7Confident36 Ų3675.2 Ų75.219%0.18841%0.408CS..Hα-helixtrans-67.2-46.9177.4-175.866.6000110E704 Q708 Q783 A784 L785 A790 Q791E704-L787 HydrophobicContact CB-CD1 4.49Å; Q708-L787 HydrophobicContact CB-CD2 4.3Å; Q708-L787 VanDerWaalsContact CD-CD2 3.44Å; Q708-L787 HydrophobicContact CG-CD2 4.04Å; Q708-L787 VanDerWaalsContact NE2-CD2 3.28Å; Q783-L787 PolarHBondContact O-N 3.39Å; A784-L787 PolarHBondContact O-N 2.89Å; A784-L787 VanDerWaalsContact O-N 3.15Å; L785-L787 VanDerWaalsContact C-N 3.28Å; L785-L787 PolarHBondContact O-N 3.41Å; L787-A790 PolarHBondContact O-N 3.36Å; L787-Q791 HydrophobicContact CD1-CG 4.44Å; L787-Q791 WeakPolarHBondContact O-CB 3.5Å; L787-Q791 VanDerWaalsContact O-CG 3.29Å; L787-Q791 WeakPolarHBondContact O-CG 3.29Å; L787-Q791 PolarHBondContact O-N 3.5Å
788D83.6Confident86.8Confident90 Ų9071.1 Ų71.148%0.48139%0.387SS..Hα-helixtrans-61.5-47.1179-68-19.6000111.4A784 L785 A790 Q791 E792A784-D788 PolarHBondContact O-N 3.24Å; A784-D788 VanDerWaalsContact O-N 3.14Å; L785-D788 PolarHBondContact O-N 3.43Å; D788-A790 PolarHBondContact O-N 2.96Å; D788-Q791 PolarHBondContact O-N 3Å; D788-E792 WeakPolarHBondContact O-CB 3.47Å; D788-E792 PolarHBondContact O-N 3.39Å
789E88.5Confident86.9Confident124 Ų12472.7 Ų72.758%0.57939%0.386SS*.Hα-helixtrans-59.8-42.5176-74.1176.5174.300112.2L785 E792 A793L785-E789 WeakPolarHBondContact O-CB 3.28Å; L785-E789 WeakPolarHBondContact O-CG 3.31Å; L785-E789 PolarHBondContact O-N 2.98Å; E789-E792 PolarHBondContact O-N 2.92Å; E789-A793 WeakPolarHBondContact O-CB 3.46Å; E789-A793 PolarHBondContact O-N 3.03Å
790A85.7Confident87.1Confident49 Ų4976 Ų7641%0.40540%0.404SS..Hα-helixtrans-66.1-42.417800000112.1R786 L787 D788 A793 E794R786-A790 WeakPolarHBondContact O-CB 3.39Å; R786-A790 PolarHBondContact O-N 3.41Å; L787-A790 PolarHBondContact O-N 3.36Å; D788-A790 PolarHBondContact O-N 2.96Å; A790-A793 PolarHBondContact O-N 3.45Å; A790-E794 WeakPolarHBondContact O-CG 3.29Å; A790-E794 PolarHBondContact O-N 3.35Å
791Q89.1Confident87.2Confident21 Ų2175.6 Ų75.610%0.09840%0.402CS..Hα-helixtrans-66-38.4177.7-71.2-173.7-12.300112H701 E704 L787 D788 E794 C795H701-Q791 HydrophobicContact CB-CG 4.34Å; H701-Q791 PolarHBondContact CE1-O 2.99Å; H701-Q791 VanDerWaalsContact CE1-O 3.29Å; H701-Q791 PolarHBondContact O-NE2 3.16Å; E704-Q791 PolarHBondContact OE2-NE2 3.34Å; L787-Q791 HydrophobicContact CD1-CG 4.44Å; L787-Q791 WeakPolarHBondContact O-CB 3.5Å; L787-Q791 VanDerWaalsContact O-CG 3.29Å; L787-Q791 WeakPolarHBondContact O-CG 3.29Å; L787-Q791 PolarHBondContact O-N 3.5Å; D788-Q791 PolarHBondContact O-N 3Å; Q791-E794 PolarHBondContact O-N 2.91Å; Q791-C795 PolarHBondContact O-N 3.32Å; Q791-C795 PolarHBondContact O-SG 3.48Å; Q791-C795 VanDerWaalsContact O-SG 3.34Å
792E90.3Very high87.3Confident120 Ų12073.2 Ų73.256%0.56138%0.381SS*.Hα-helixtrans-65.5-45.4174.7-171.7172.4-174.900111.6D788 E789 E794 C795 Q796D788-E792 WeakPolarHBondContact O-CB 3.47Å; D788-E792 PolarHBondContact O-N 3.39Å; E789-E792 PolarHBondContact O-N 2.92Å; E792-E794 VanDerWaalsContact C-N 3.33Å; E792-E794 PolarHBondContact O-N 3.48Å; E792-C795 WeakPolarHBondContact O-CB 3.43Å; E792-C795 PolarHBondContact O-N 3.03Å; E792-C795 VanDerWaalsContact O-N 3.15Å; E792-Q796 WeakPolarHBondContact O-CG 3.3Å; E792-Q796 PolarHBondContact O-N 3.11Å; E792-Q796 PolarHBondContact OE1-NE2 3.17Å
793A89.9Confident87.4Confident54 Ų5476.5 Ų76.545%0.44639%0.392SS..Hα-helixtrans-59.6-42.2175.900000112.1E789 A790 Q796 A797E789-A793 WeakPolarHBondContact O-CB 3.46Å; E789-A793 PolarHBondContact O-N 3.03Å; A790-A793 PolarHBondContact O-N 3.45Å; A793-Q796 PolarHBondContact O-N 3.24Å; A793-A797 WeakPolarHBondContact O-CB 3.38Å; A793-A797 PolarHBondContact O-N 2.91Å
794E87.8Confident87.4Confident68 Ų6878.7 Ų78.732%0.31840%0.402SS..Hα-helixtrans-62.7-40.7174.5-74.9-172170.900112.3L697 K700 H701 A790 Q791 E792 L798L697-E794 HydrophobicContact CD1-CB 4.27Å; K700-E794 IonicContact NZ-OE1 3.15Å; K700-E794 PolarHBondContact NZ-OE1 3.12Å; K700-E794 IonicContact NZ-OE2 2.71Å; K700-E794 PolarHBondContact NZ-OE2 3.28Å; H701-E794 IonicContact CD2-OE2 2.62Å; H701-E794 IonicContact NE2-OE2 2.83Å; H701-E794 PolarHBondContact NE2-OE2 3.14Å; A790-E794 WeakPolarHBondContact O-CG 3.29Å; A790-E794 PolarHBondContact O-N 3.35Å; Q791-E794 PolarHBondContact O-N 2.91Å; E792-E794 VanDerWaalsContact C-N 3.33Å; E792-E794 PolarHBondContact O-N 3.48Å; E794-L798 WeakPolarHBondContact O-CB 3.32Å; E794-L798 PolarHBondContact O-N 3.4Å
795C90.8Very high87.4Confident45 Ų4577.6 Ų77.630%0.30439%0.391SS..Hα-helixtrans-63.8-43.4176.1-750000112L697 H701 Q791 E792 L798 R799L697-C795 HydrophobicContact CD2-CB 4.43Å; H701-C795 VanDerWaalsContact CE1-SG 3.58Å; Q791-C795 PolarHBondContact O-N 3.32Å; Q791-C795 PolarHBondContact O-SG 3.48Å; Q791-C795 VanDerWaalsContact O-SG 3.34Å; E792-C795 WeakPolarHBondContact O-CB 3.43Å; E792-C795 PolarHBondContact O-N 3.03Å; E792-C795 VanDerWaalsContact O-N 3.15Å; C795-L798 PolarHBondContact O-N 3.08Å; C795-R799 WeakPolarHBondContact O-CG 3.37Å; C795-R799 PolarHBondContact O-N 3.38Å
796Q92Very high87.5Confident115 Ų11574 Ų7454%0.53737%0.372SS..Hα-helixtrans-65.2-45.1177.9-69.5-179.611.300111.3E792 A793 L798 R799 L800E792-Q796 WeakPolarHBondContact O-CG 3.3Å; E792-Q796 PolarHBondContact O-N 3.11Å; E792-Q796 PolarHBondContact OE1-NE2 3.17Å; A793-Q796 PolarHBondContact O-N 3.24Å; Q796-L798 PolarHBondContact O-N 3.35Å; Q796-R799 PolarHBondContact O-N 3.23Å; Q796-L800 PolarHBondContact O-N 3Å
797A89.3Confident87.5Confident60 Ų6071.6 Ų71.650%0.49637%0.367SS..Hα-helixtrans-59.9-44.7176.200000111.7A793 L800 Q801A793-A797 WeakPolarHBondContact O-CB 3.38Å; A793-A797 PolarHBondContact O-N 2.91Å; A797-L800 PolarHBondContact O-N 3.43Å; A797-Q801 WeakPolarHBondContact O-CB 3.29Å; A797-Q801 PolarHBondContact O-N 3.25Å
798L88.1Confident87.3Confident15 Ų1572.3 Ų72.38%0.07937%0.371CS..Hα-helixtrans-63.1-45.2176.9-17964.1000111.6R693 L697 E794 C795 Q796 L800 Q801 L802R693-L798 HydrophobicContact CB-CD1 4.26Å; R693-L798 HydrophobicContact CB-CD2 4.35Å; L697-L798 HydrophobicContact CB-CD2 3.85Å; L697-L798 HydrophobicContact CD2-CB 4.01Å; L697-L798 HydrophobicContact CD2-CD2 3.55Å; L697-L798 HydrophobicContact CD2-CG 4.42Å; L697-L798 HydrophobicContact CG-CD2 4.3Å; E794-L798 WeakPolarHBondContact O-CB 3.32Å; E794-L798 PolarHBondContact O-N 3.4Å; C795-L798 PolarHBondContact O-N 3.08Å; Q796-L798 PolarHBondContact O-N 3.35Å; L798-L800 VanDerWaalsContact C-N 3.34Å; L798-L800 PolarHBondContact O-N 2.87Å; L798-Q801 PolarHBondContact O-N 3.05Å; L798-L802 HydrophobicContact CD1-CD1 4.15Å; L798-L802 HydrophobicContact CD1-CD2 4.29Å; L798-L802 HydrophobicContact CD1-CG 3.99Å; L798-L802 HydrophobicContact CD2-CD1 4.42Å; L798-L802 HydrophobicContact CG-CD1 3.93Å; L798-L802 HydrophobicContact CG-CG 4.18Å; L798-L802 VanDerWaalsContact O-CG 3.29Å; L798-L802 WeakPolarHBondContact O-CG 3.38Å; L798-L802 PolarHBondContact O-N 2.99Å
799R90.7Very high87.2Confident170 Ų17069.2 Ų69.264%0.64235%0.354SS*.Hα-helixtrans-58.7-45.2177.6-79.7-179.3-178.5163.13.8112.1C795 Q796 Q801 L802 Q803C795-R799 WeakPolarHBondContact O-CG 3.37Å; C795-R799 PolarHBondContact O-N 3.38Å; Q796-R799 PolarHBondContact O-N 3.23Å; R799-Q801 VanDerWaalsContact C-N 3.34Å; R799-Q801 PolarHBondContact O-N 2.98Å; R799-L802 PolarHBondContact O-N 3.44Å; R799-Q803 WeakPolarHBondContact O-CB 3.08Å; R799-Q803 PolarHBondContact O-N 3.06Å
800L90.8Very high87.1Confident102 Ų10267 Ų6753%0.53435%0.346SS..Hα-helixtrans-62.1-43.4177.7-173.268.5000111.1Q796 A797 L798 Q803 Q804Q796-L800 PolarHBondContact O-N 3Å; A797-L800 PolarHBondContact O-N 3.43Å; L798-L800 VanDerWaalsContact C-N 3.34Å; L798-L800 PolarHBondContact O-N 2.87Å; L800-Q803 PolarHBondContact O-N 3.24Å; L800-Q804 WeakPolarHBondContact O-CG 3.48Å; L800-Q804 PolarHBondContact O-N 3.23Å
801Q83.4Confident86.7Confident57 Ų5767.1 Ų67.127%0.26635%0.347SS..Hα-helixtrans-61-49.9176.6-173.7-172.4-21.800111.7A797 L798 R799 Q803 Q804 E805A797-Q801 WeakPolarHBondContact O-CB 3.29Å; A797-Q801 PolarHBondContact O-N 3.25Å; L798-Q801 PolarHBondContact O-N 3.05Å; R799-Q801 VanDerWaalsContact C-N 3.34Å; R799-Q801 PolarHBondContact O-N 2.98Å; Q801-Q803 VanDerWaalsContact C-N 3.25Å; Q801-Q803 PolarHBondContact O-N 3.39Å; Q801-Q804 PolarHBondContact O-N 2.7Å; Q801-E805 PolarHBondContact NE2-OE1 2.83Å; Q801-E805 WeakPolarHBondContact O-CG 3.28Å; Q801-E805 PolarHBondContact O-N 3.09Å
802L87.1Confident86.1Confident6 Ų668.8 Ų68.83%0.03135%0.353CS..Hα-helixtrans-64.1-31.9-179.9-65.2178.1000112.2Y689 N690 R693 E694 L798 R799 M806Y689-L802 HydrophobicContact CD1-CD2 4.39Å; Y689-L802 HydrophobicContact CE1-CD2 3.96Å; N690-L802 HydrophobicContact CB-CD1 4.11Å; R693-L802 HydrophobicContact CB-CD1 4.3Å; R693-L802 HydrophobicContact CB-CD2 4.17Å; R693-L802 HydrophobicContact CG-CD2 4.22Å; E694-L802 HydrophobicContact CG-CD1 4.14Å; L798-L802 HydrophobicContact CD1-CD1 4.15Å; L798-L802 HydrophobicContact CD1-CD2 4.29Å; L798-L802 HydrophobicContact CD1-CG 3.99Å; L798-L802 HydrophobicContact CD2-CD1 4.42Å; L798-L802 HydrophobicContact CG-CD1 3.93Å; L798-L802 HydrophobicContact CG-CG 4.18Å; L798-L802 VanDerWaalsContact O-CG 3.29Å; L798-L802 WeakPolarHBondContact O-CG 3.38Å; L798-L802 PolarHBondContact O-N 2.99Å; R799-L802 PolarHBondContact O-N 3.44Å; L802-M806 PolarHBondContact O-N 2.94Å; L802-M806 VanDerWaalsContact O-N 3.11Å
803Q89.6Confident85.8Confident112 Ų11264.2 Ų64.252%0.52333%0.332SS..Hα-helixtrans-68.4-46173.9-177.5174.3-13.700111.6R799 L800 Q801 E805 M806 E807R799-Q803 WeakPolarHBondContact O-CB 3.08Å; R799-Q803 PolarHBondContact O-N 3.06Å; L800-Q803 PolarHBondContact O-N 3.24Å; Q801-Q803 VanDerWaalsContact C-N 3.25Å; Q801-Q803 PolarHBondContact O-N 3.39Å; Q803-E805 VanDerWaalsContact C-N 3.31Å; Q803-E805 PolarHBondContact O-N 2.94Å; Q803-M806 WeakPolarHBondContact O-CB 3.38Å; Q803-M806 PolarHBondContact O-N 3.48Å; Q803-M806 VanDerWaalsContact O-N 3.13Å; Q803-E807 PolarHBondContact NE2-OE1 3.46Å; Q803-E807 VanDerWaalsContact NE2-OE1 3.1Å; Q803-E807 WeakPolarHBondContact O-CG 3.42Å; Q803-E807 PolarHBondContact O-N 3.38Å
804Q83.3Confident85.5Confident114 Ų11464.6 Ų64.653%0.53333%0.331SS..Hα-helixtrans-59.5-42.1175.3-73.6175.5-5.100111.8L800 Q801 M806 E807 L808L800-Q804 WeakPolarHBondContact O-CG 3.48Å; L800-Q804 PolarHBondContact O-N 3.23Å; Q801-Q804 PolarHBondContact O-N 2.7Å; Q804-M806 VanDerWaalsContact C-N 3.3Å; Q804-M806 PolarHBondContact O-N 2.97Å; Q804-E807 PolarHBondContact O-N 3.3Å; Q804-L808 WeakPolarHBondContact O-CB 3.49Å; Q804-L808 PolarHBondContact O-N 3.47Å
805E81.1Confident85.1Confident11 Ų1165.2 Ų65.25%0.05133%0.333CS..Hα-helixtrans-61.7-37.5175.4-71.4176.5-167.600112.1Q686 Y689 Q801 Q803 L809Q686-E805 PolarHBondContact NE2-OE2 3.14Å; Y689-E805 VanDerWaalsContact CE1-OE2 3.29Å; Y689-E805 WeakPolarHBondContact CE1-OE2 3.49Å; Q801-E805 PolarHBondContact NE2-OE1 2.83Å; Q801-E805 WeakPolarHBondContact O-CG 3.28Å; Q801-E805 PolarHBondContact O-N 3.09Å; Q803-E805 VanDerWaalsContact C-N 3.31Å; Q803-E805 PolarHBondContact O-N 2.94Å; E805-L809 PolarHBondContact O-N 3.42Å; E805-L809 VanDerWaalsContact O-N 3.14Å
806M86.9Confident84.5Confident30 Ų3064.3 Ų64.315%0.14833%0.325CS..Hα-helixtrans-69.2-41.9175.7-174.263.271.900112.5L683 Q686 L687 L802 Q803 Q804 L808 L809 N810L683-M806 HydrophobicContact CD1-CE 4.12Å; L683-M806 HydrophobicContact CD1-SD 3.6Å; L683-M806 VanDerWaalsContact CD1-SD 3.6Å; Q686-M806 HydrophobicContact CB-CE 4.13Å; Q686-M806 HydrophobicContact CG-CE 3.6Å; Q686-M806 HydrophobicContact CG-SD 4.14Å; L687-M806 HydrophobicContact CD2-CE 3.74Å; L687-M806 HydrophobicContact CG-CE 4.16Å; L802-M806 PolarHBondContact O-N 2.94Å; L802-M806 VanDerWaalsContact O-N 3.11Å; Q803-M806 WeakPolarHBondContact O-CB 3.38Å; Q803-M806 PolarHBondContact O-N 3.48Å; Q803-M806 VanDerWaalsContact O-N 3.13Å; Q804-M806 VanDerWaalsContact C-N 3.3Å; Q804-M806 PolarHBondContact O-N 2.97Å; M806-L808 VanDerWaalsContact C-N 3.28Å; M806-L808 PolarHBondContact O-N 3.42Å; M806-L809 PolarHBondContact O-N 2.8Å; M806-L809 HydrophobicContact SD-CD2 4.45Å; M806-N810 PolarHBondContact O-N 2.91Å; M806-N810 PolarHBondContact O-ND2 2.92Å
807E86.3Confident84.3Confident105 Ų10563.6 Ų63.649%0.49132%0.32SS..Hα-helixtrans-61.9-39.6176-73.4172-170.200111.3Q803 Q804 N810 A811Q803-E807 PolarHBondContact NE2-OE1 3.46Å; Q803-E807 VanDerWaalsContact NE2-OE1 3.1Å; Q803-E807 WeakPolarHBondContact O-CG 3.42Å; Q803-E807 PolarHBondContact O-N 3.38Å; Q804-E807 PolarHBondContact O-N 3.3Å; E807-N810 PolarHBondContact O-N 3.08Å; E807-A811 WeakPolarHBondContact O-CB 3.49Å; E807-A811 PolarHBondContact O-N 2.98Å
808L79.1Confident84Confident51 Ų5165.9 Ų65.927%0.26732%0.322SS..Hα-helixtrans-61.6-43.4175.1-161.569000111.9M224 Y231 Q804 M806 A811 Y812M224-L808 HydrophobicContact CE-CD2 4.29Å; Y231-L808 HydrophobicContact CD1-CD1 4.26Å; Y231-L808 HydrophobicContact CD1-CD2 3.6Å; Y231-L808 HydrophobicContact CD1-CG 3.68Å; Y231-L808 HydrophobicContact CE1-CD1 3.46Å; Y231-L808 VanDerWaalsContact CE1-CD1 3.46Å; Y231-L808 HydrophobicContact CE1-CD2 3.7Å; Y231-L808 HydrophobicContact CE1-CG 3.33Å; Q804-L808 WeakPolarHBondContact O-CB 3.49Å; Q804-L808 PolarHBondContact O-N 3.47Å; M806-L808 VanDerWaalsContact C-N 3.28Å; M806-L808 PolarHBondContact O-N 3.42Å; L808-A811 PolarHBondContact O-N 2.94Å; L808-Y812 PolarHBondContact O-N 3.09Å
809L81Confident83.5Confident24 Ų2470.6 Ų70.613%0.12634%0.343CS..Hα-helixtrans-62.8-44.6175.1179.862.7000111.7E682 Q686 E805 M806 A811 Y812 Q813E682-L809 HydrophobicContact CB-CD1 4.22Å; Q686-L809 HydrophobicContact CB-CD2 3.68Å; Q686-L809 HydrophobicContact CG-CD2 4.04Å; E805-L809 PolarHBondContact O-N 3.42Å; E805-L809 VanDerWaalsContact O-N 3.14Å; M806-L809 PolarHBondContact O-N 2.8Å; M806-L809 HydrophobicContact SD-CD2 4.45Å; L809-A811 VanDerWaalsContact C-N 3.33Å; L809-A811 PolarHBondContact O-N 3.02Å; L809-Y812 HydrophobicContact CD1-CD1 4.38Å; L809-Y812 VanDerWaalsContact O-CB 3.31Å; L809-Y812 WeakPolarHBondContact O-CB 3.48Å; L809-Y812 PolarHBondContact O-N 3.45Å; L809-Q813 HydrophobicContact CD1-CG 4.42Å; L809-Q813 WeakPolarHBondContact O-CG 3.36Å; L809-Q813 PolarHBondContact O-N 3.36Å
810N85.9Confident83.1Confident78 Ų7863.3 Ų63.342%0.41732%0.318SS..Hα-helixtrans-62.3-41177.4-72.9-33.1000112.1M806 E807 Y812 Q813 S814M806-N810 PolarHBondContact O-N 2.91Å; M806-N810 PolarHBondContact O-ND2 2.92Å; E807-N810 PolarHBondContact O-N 3.08Å; N810-Y812 VanDerWaalsContact C-N 3.32Å; N810-Y812 PolarHBondContact O-N 2.95Å; N810-Q813 PolarHBondContact O-N 3.41Å; N810-S814 WeakPolarHBondContact O-CB 3.34Å; N810-S814 PolarHBondContact O-N 3.47Å
811A78.4Confident83.1Confident51 Ų5162.6 Ų62.642%0.42131%0.312SS..Hα-helixtrans-62.4-39.4175.400000111.8E807 L808 L809 K815E807-A811 WeakPolarHBondContact O-CB 3.49Å; E807-A811 PolarHBondContact O-N 2.98Å; L808-A811 PolarHBondContact O-N 2.94Å; L809-A811 VanDerWaalsContact C-N 3.33Å; L809-A811 PolarHBondContact O-N 3.02Å; A811-K815 WeakPolarHBondContact O-CB 3.41Å; A811-K815 PolarHBondContact O-N 2.99Å
812Y75.6Confident83.2Confident56 Ų5661.4 Ų61.422%0.2231%0.311CS..Hα-helixtrans-60.1-52.9174.4178.2-127.8000112.5Y231 L808 L809 N810 S814 K815 I816Y231-Y812 HydrophobicContact CD2-CD1 4.26Å; Y231-Y812 AromaticContact CD2-CD2 3.33Å; Y231-Y812 HydrophobicContact CD2-CD2 3.33Å; Y231-Y812 AromaticContact CD2-CE2 3.95Å; Y231-Y812 HydrophobicContact CD2-CE2 3.95Å; Y231-Y812 AromaticContact CD2-CG 3.46Å; Y231-Y812 HydrophobicContact CD2-CG 3.46Å; Y231-Y812 VanDerWaalsContact CD2-CG 3.46Å; Y231-Y812 AromaticContact CE2-CD2 3.31Å; Y231-Y812 HydrophobicContact CE2-CD2 3.31Å; Y231-Y812 HydrophobicContact CE2-CE2 4.27Å; Y231-Y812 AromaticContact CE2-CG 3.52Å; Y231-Y812 HydrophobicContact CE2-CG 3.52Å; L808-Y812 PolarHBondContact O-N 3.09Å; L809-Y812 HydrophobicContact CD1-CD1 4.38Å; L809-Y812 VanDerWaalsContact O-CB 3.31Å; L809-Y812 WeakPolarHBondContact O-CB 3.48Å; L809-Y812 PolarHBondContact O-N 3.45Å; N810-Y812 VanDerWaalsContact C-N 3.32Å; N810-Y812 PolarHBondContact O-N 2.95Å; Y812-S814 VanDerWaalsContact C-N 3.26Å; Y812-S814 PolarHBondContact O-N 3.45Å; Y812-K815 WeakPolarHBondContact O-CB 3.16Å; Y812-K815 PolarHBondContact O-N 2.95Å; Y812-I816 HydrophobicContact CD1-CD1 3.84Å; Y812-I816 HydrophobicContact CD2-CD1 3.88Å; Y812-I816 HydrophobicContact CD2-CG1 4.1Å; Y812-I816 HydrophobicContact CE1-CD1 3.34Å; Y812-I816 HydrophobicContact CE2-CD1 3.43Å; Y812-I816 VanDerWaalsContact CE2-CD1 3.43Å; Y812-I816 HydrophobicContact CE2-CG1 3.79Å; Y812-I816 HydrophobicContact CG-CD1 4.12Å; Y812-I816 PolarHBondContact O-N 2.95Å; Y812-I816 WeakPolarHBondContact OH-CD1 3.39Å
813Q83.9Confident83Confident24 Ų2465.4 Ų65.411%0.11233%0.33CS..Hα-helixtrans-60.5-40.5-178.5-68.2-174.2-6.700111.2H679 E682 L809 N810 K817H679-Q813 VanDerWaalsContact CA-NE2 3.32Å; H679-Q813 HydrophobicContact CB-CG 4.13Å; H679-Q813 PolarHBondContact CE1-O 2.96Å; H679-Q813 PolarHBondContact O-NE2 3.1Å; E682-Q813 PolarHBondContact OE2-NE2 2.99Å; L809-Q813 HydrophobicContact CD1-CG 4.42Å; L809-Q813 WeakPolarHBondContact O-CG 3.36Å; L809-Q813 PolarHBondContact O-N 3.36Å; N810-Q813 PolarHBondContact O-N 3.41Å; Q813-K817 WeakPolarHBondContact O-CB 3.4Å; Q813-K817 PolarHBondContact O-N 3.29Å
814S85.1Confident83.1Confident62 Ų6261 Ų6143%0.43431%0.309SS..Hα-helixtrans-61.9-43174-169.50000112N810 Y812 K817 M818N810-S814 WeakPolarHBondContact O-CB 3.34Å; N810-S814 PolarHBondContact O-N 3.47Å; Y812-S814 VanDerWaalsContact C-N 3.26Å; Y812-S814 PolarHBondContact O-N 3.45Å; S814-K817 PolarHBondContact O-N 3.34Å; S814-M818 WeakPolarHBondContact O-CG 3.43Å; S814-M818 PolarHBondContact O-N 3.31Å
815K79.4Confident83.6Confident82 Ų8261.1 Ų61.136%0.35731%0.31SS..Hα-helixtrans-64.8-45.2178.5-171175.9-176.6176.30112.7A811 Y812 K817 M818 Q819A811-K815 WeakPolarHBondContact O-CB 3.41Å; A811-K815 PolarHBondContact O-N 2.99Å; Y812-K815 WeakPolarHBondContact O-CB 3.16Å; Y812-K815 PolarHBondContact O-N 2.95Å; K815-K817 VanDerWaalsContact C-N 3.31Å; K815-K817 PolarHBondContact O-N 3.36Å; K815-M818 PolarHBondContact O-N 3.3Å; K815-Q819 WeakPolarHBondContact O-CB 3.42Å; K815-Q819 WeakPolarHBondContact O-CG 3.3Å; K815-Q819 PolarHBondContact O-N 3.01Å
816I77.7Confident84.1Confident26 Ų2668.1 Ų68.113%0.13334%0.336CS..Hα-helixtrans-59.6-46.1175.8-68.3165.6000110.4I675 Y812 M818 Q819 T820I675-I816 HydrophobicContact CD1-CG2 4.38Å; I675-I816 HydrophobicContact CG2-CG2 4.21Å; Y812-I816 HydrophobicContact CD1-CD1 3.84Å; Y812-I816 HydrophobicContact CD2-CD1 3.88Å; Y812-I816 HydrophobicContact CD2-CG1 4.1Å; Y812-I816 HydrophobicContact CE1-CD1 3.34Å; Y812-I816 HydrophobicContact CE2-CD1 3.43Å; Y812-I816 VanDerWaalsContact CE2-CD1 3.43Å; Y812-I816 HydrophobicContact CE2-CG1 3.79Å; Y812-I816 HydrophobicContact CG-CD1 4.12Å; Y812-I816 PolarHBondContact O-N 2.95Å; Y812-I816 WeakPolarHBondContact OH-CD1 3.39Å; I816-M818 PolarHBondContact O-N 2.93Å; I816-Q819 PolarHBondContact O-N 3.43Å; I816-T820 WeakPolarHBondContact O-CB 3.49Å; I816-T820 PolarHBondContact O-N 3.18Å; I816-T820 PolarHBondContact O-OG1 3.3Å
817K86.8Confident84.4Confident99 Ų9968.8 Ų68.843%0.4334%0.338SS..Hα-helixtrans-58.1-50.7178.6-177.6-177.8169.8-171.60110.9Q813 S814 K815 Q819 T820 E821Q813-K817 WeakPolarHBondContact O-CB 3.4Å; Q813-K817 PolarHBondContact O-N 3.29Å; S814-K817 PolarHBondContact O-N 3.34Å; K815-K817 VanDerWaalsContact C-N 3.31Å; K815-K817 PolarHBondContact O-N 3.36Å; K817-Q819 PolarHBondContact O-N 3.4Å; K817-T820 PolarHBondContact O-N 3.48Å; K817-E821 WeakPolarHBondContact CE-OE1 3.39Å; K817-E821 IonicContact NZ-OE1 3.94Å; K817-E821 WeakPolarHBondContact O-CB 3.34Å; K817-E821 WeakPolarHBondContact O-CG 3.35Å; K817-E821 PolarHBondContact O-N 2.93Å
818M83.3Confident84.8Confident109 Ų10966.7 Ų66.754%0.53733%0.33SS..Hα-helixtrans-60.7-42.1177.3-75-173.7-72.100112.7S814 K815 I816 T820 E821 A822S814-M818 WeakPolarHBondContact O-CG 3.43Å; S814-M818 PolarHBondContact O-N 3.31Å; K815-M818 PolarHBondContact O-N 3.3Å; I816-M818 PolarHBondContact O-N 2.93Å; M818-T820 VanDerWaalsContact C-N 3.34Å; M818-T820 PolarHBondContact O-N 2.94Å; M818-E821 PolarHBondContact O-N 3.15Å; M818-A822 WeakPolarHBondContact O-CB 3.38Å; M818-A822 PolarHBondContact O-N 3.45Å
819Q78.6Confident85.6Confident113 Ų11368.6 Ų68.653%0.52834%0.338SS..Hα-helixtrans-63.1-41.2177-77.2-179.4-19.400111.9K815 I816 K817 A822 Q823K815-Q819 WeakPolarHBondContact O-CB 3.42Å; K815-Q819 WeakPolarHBondContact O-CG 3.3Å; K815-Q819 PolarHBondContact O-N 3.01Å; I816-Q819 PolarHBondContact O-N 3.43Å; K817-Q819 PolarHBondContact O-N 3.4Å; Q819-A822 PolarHBondContact O-N 2.97Å; Q819-Q823 WeakPolarHBondContact O-CB 3.5Å; Q819-Q823 PolarHBondContact O-N 3.01Å
820T82.3Confident86.2Confident18 Ų1874.4 Ų74.411%0.1136%0.362CS..Hα-helixtrans-67.5-43.3177.8-540000111.1M672 I675 I816 K817 M818 A822 Q823 H824M672-T820 HydrophobicContact CE-CG2 4.11Å; I675-T820 HydrophobicContact CD1-CG2 3.58Å; I675-T820 VanDerWaalsContact CD1-OG1 3.28Å; I675-T820 WeakPolarHBondContact CD1-OG1 3.31Å; I816-T820 WeakPolarHBondContact O-CB 3.49Å; I816-T820 PolarHBondContact O-N 3.18Å; I816-T820 PolarHBondContact O-OG1 3.3Å; K817-T820 PolarHBondContact O-N 3.48Å; M818-T820 VanDerWaalsContact C-N 3.34Å; M818-T820 PolarHBondContact O-N 2.94Å; T820-A822 VanDerWaalsContact C-N 3.35Å; T820-A822 PolarHBondContact O-N 3.02Å; T820-Q823 WeakPolarHBondContact O-CB 3.21Å; T820-Q823 PolarHBondContact O-N 3.05Å; T820-H824 PolarHBondContact O-CD2 3.19Å; T820-H824 VanDerWaalsContact O-CG 3.27Å; T820-H824 PolarHBondContact O-N 3.41Å
821E89.7Confident86.7Confident87 Ų8771.2 Ų71.241%0.40735%0.345SS..Hα-helixtrans-61.3-43.4174.9-72.8171.6169.400111.3M672 K817 M818 Q823 H824 E825M672-E821 HydrophobicContact CE-CG 3.87Å; K817-E821 WeakPolarHBondContact CE-OE1 3.39Å; K817-E821 IonicContact NZ-OE1 3.94Å; K817-E821 WeakPolarHBondContact O-CB 3.34Å; K817-E821 WeakPolarHBondContact O-CG 3.35Å; K817-E821 PolarHBondContact O-N 2.93Å; M818-E821 PolarHBondContact O-N 3.15Å; E821-Q823 VanDerWaalsContact C-N 3.32Å; E821-Q823 PolarHBondContact O-N 3.26Å; E821-H824 WeakPolarHBondContact O-CB 3.5Å; E821-H824 PolarHBondContact O-N 3.09Å; E821-E825 PolarHBondContact O-N 2.95Å
822A85.8Confident87.5Confident31 Ų3173.1 Ų73.126%0.25635%0.345SS..Hα-helixtrans-64.2-35.3174.500000112.5M818 Q819 T820 R826M818-A822 WeakPolarHBondContact O-CB 3.38Å; M818-A822 PolarHBondContact O-N 3.45Å; Q819-A822 PolarHBondContact O-N 2.97Å; T820-A822 VanDerWaalsContact C-N 3.35Å; T820-A822 PolarHBondContact O-N 3.02Å; A822-R826 WeakPolarHBondContact O-CG 3.29Å; A822-R826 PolarHBondContact O-N 3.32Å; A822-R826 VanDerWaalsContact O-N 3.14Å
823Q83.6Confident88.4Confident90 Ų9076.4 Ų76.442%0.42136%0.362SS..Hα-helixtrans-65.8-45.6172.5177.8177.6-12.900111.1Q819 T820 E821 E825 R826 E827Q819-Q823 WeakPolarHBondContact O-CB 3.5Å; Q819-Q823 PolarHBondContact O-N 3.01Å; T820-Q823 WeakPolarHBondContact O-CB 3.21Å; T820-Q823 PolarHBondContact O-N 3.05Å; E821-Q823 VanDerWaalsContact C-N 3.32Å; E821-Q823 PolarHBondContact O-N 3.26Å; Q823-E825 VanDerWaalsContact C-N 3.26Å; Q823-E825 PolarHBondContact O-N 3.29Å; Q823-R826 PolarHBondContact O-N 3.28Å; Q823-E827 HydrophobicContact CG-CG 4.4Å; Q823-E827 PolarHBondContact NE2-OE1 3.1Å; Q823-E827 WeakPolarHBondContact O-CG 3.42Å; Q823-E827 PolarHBondContact O-N 3.33Å
824H92.5Very high89Confident20 Ų2082 Ų829%0.09338%0.382CS..Hα-helixtrans-58.1-40.6177.2-70.4179.6000111.8Q668 T820 E821 E827 L828Q668-H824 HydrophobicContact CG-CB 4.28Å; Q668-H824 PolarHBondContact NE2-O 3.15Å; Q668-H824 VanDerWaalsContact NE2-O 3.13Å; Q668-H824 PolarHBondContact O-CE1 2.96Å; T820-H824 PolarHBondContact O-CD2 3.19Å; T820-H824 VanDerWaalsContact O-CG 3.27Å; T820-H824 PolarHBondContact O-N 3.41Å; E821-H824 WeakPolarHBondContact O-CB 3.5Å; E821-H824 PolarHBondContact O-N 3.09Å; H824-E827 PolarHBondContact O-N 3.03Å; H824-L828 WeakPolarHBondContact O-CB 3.47Å; H824-L828 PolarHBondContact O-N 2.85Å
825E92.7Very high89.5Confident117 Ų11779.5 Ų79.555%0.54737%0.365SS..Hα-helixtrans-64.5-43.9176.1-169.5177-171.600112E821 Q823 E827 L828 Q829E821-E825 PolarHBondContact O-N 2.95Å; Q823-E825 VanDerWaalsContact C-N 3.26Å; Q823-E825 PolarHBondContact O-N 3.29Å; E825-E827 PolarHBondContact O-N 3.41Å; E825-L828 PolarHBondContact O-N 3.14Å; E825-Q829 WeakPolarHBondContact O-CG 3.5Å; E825-Q829 PolarHBondContact O-N 3.34Å
826R92.2Very high90.3Very high157 Ų15779.1 Ų79.159%0.59237%0.372SS*.Hα-helixtrans-63.4-41175.3-69.5178.8-144.1162.74.3112.5A822 Q823 L828 K830A822-R826 WeakPolarHBondContact O-CG 3.29Å; A822-R826 PolarHBondContact O-N 3.32Å; A822-R826 VanDerWaalsContact O-N 3.14Å; Q823-R826 PolarHBondContact O-N 3.28Å; R826-L828 VanDerWaalsContact C-N 3.34Å; R826-K830 WeakPolarHBondContact O-CB 3.47Å; R826-K830 VanDerWaalsContact O-CG 3.28Å; R826-K830 WeakPolarHBondContact O-CG 3.3Å; R826-K830 PolarHBondContact O-N 2.98Å
827E92.1Very high91.1Very high45 Ų4583.8 Ų83.821%0.2140%0.397CS..Hα-helixtrans-63.2-42.3176.5-72.9174.3173.900111.1L664 Q668 R671 Q823 H824 E825 K830 L831L664-E827 HydrophobicContact CD1-CB 4.12Å; Q668-E827 PolarHBondContact NE2-OE2 2.92Å; R671-E827 IonicContact CZ-OE1 3.91Å; R671-E827 IonicContact NH1-OE1 3.86Å; R671-E827 PolarHBondContact NH1-OE1 3.21Å; R671-E827 IonicContact NH1-OE2 2.68Å; R671-E827 PolarHBondContact NH1-OE2 3.26Å; Q823-E827 HydrophobicContact CG-CG 4.4Å; Q823-E827 PolarHBondContact NE2-OE1 3.1Å; Q823-E827 WeakPolarHBondContact O-CG 3.42Å; Q823-E827 PolarHBondContact O-N 3.33Å; H824-E827 PolarHBondContact O-N 3.03Å; E825-E827 PolarHBondContact O-N 3.41Å; E827-K830 PolarHBondContact O-N 3.15Å; E827-L831 PolarHBondContact O-N 3.31Å
828L94.9Very high91.6Very high60 Ų6082.8 Ų82.831%0.31439%0.39SS..Hα-helixtrans-62.6-48.2176.1-175.265.8000111.6Y661 L664 H824 E825 R826 K830 L831 E832Y661-L828 HydrophobicContact CD1-CD1 4.03Å; Y661-L828 HydrophobicContact CE1-CD1 3.74Å; L664-L828 HydrophobicContact CD2-CB 4.47Å; L664-L828 HydrophobicContact CD2-CD1 4.16Å; H824-L828 WeakPolarHBondContact O-CB 3.47Å; H824-L828 PolarHBondContact O-N 2.85Å; E825-L828 PolarHBondContact O-N 3.14Å; R826-L828 VanDerWaalsContact C-N 3.34Å; L828-K830 VanDerWaalsContact C-N 3.33Å; L828-K830 PolarHBondContact O-N 3.06Å; L828-L831 PolarHBondContact O-N 3.39Å; L828-L831 VanDerWaalsContact O-N 3.16Å; L828-E832 WeakPolarHBondContact O-CB 3.42Å; L828-E832 WeakPolarHBondContact O-CG 3.48Å; L828-E832 PolarHBondContact O-N 2.9Å
829Q95.3Very high92.1Very high91 Ų9180.6 Ų80.643%0.42538%0.376SS..Hα-helixtrans-60.6-41.4177-73.3175.22.200112.1E825 L831 E832 Q833E825-Q829 WeakPolarHBondContact O-CG 3.5Å; E825-Q829 PolarHBondContact O-N 3.34Å; Q829-L831 VanDerWaalsContact C-N 3.34Å; Q829-E832 PolarHBondContact O-N 3.32Å; Q829-Q833 WeakPolarHBondContact O-CB 3.48Å; Q829-Q833 VanDerWaalsContact O-CG 3.28Å; Q829-Q833 WeakPolarHBondContact O-CG 3.37Å; Q829-Q833 PolarHBondContact O-N 2.95Å
830K94.7Very high92.9Very high147 Ų14777.7 Ų77.764%0.63937%0.372SS*.Hα-helixtrans-62.9-41.4175.3-76.9176.1-179.6-177.40111.7R826 E827 L828 R834R826-K830 WeakPolarHBondContact O-CB 3.47Å; R826-K830 VanDerWaalsContact O-CG 3.28Å; R826-K830 WeakPolarHBondContact O-CG 3.3Å; R826-K830 PolarHBondContact O-N 2.98Å; E827-K830 PolarHBondContact O-N 3.15Å; L828-K830 VanDerWaalsContact C-N 3.33Å; L828-K830 PolarHBondContact O-N 3.06Å; K830-R834 WeakPolarHBondContact O-CB 3.32Å; K830-R834 PolarHBondContact O-N 3.06Å
831L95.5Very high93.6Very high11 Ų1182.9 Ų82.96%0.05839%0.394CS..Hα-helixtrans-65.4-46.2176.5179.261000111E660 Y661 L664 E827 L828 Q829 Q833 R834 V835E660-L831 HydrophobicContact CB-CD1 3.92Å; E660-L831 HydrophobicContact CB-CD2 4.27Å; Y661-L831 HydrophobicContact CD1-CD2 3.92Å; Y661-L831 HydrophobicContact CD2-CD2 4.37Å; Y661-L831 HydrophobicContact CE1-CD2 4.1Å; Y661-L831 HydrophobicContact CE1-CG 4.49Å; Y661-L831 HydrophobicContact CE2-CD2 4.5Å; Y661-L831 HydrophobicContact CG-CD2 4.07Å; L664-L831 HydrophobicContact CB-CD2 4.2Å; L664-L831 HydrophobicContact CD2-CB 4.26Å; L664-L831 HydrophobicContact CD2-CD2 3.68Å; E827-L831 PolarHBondContact O-N 3.31Å; L828-L831 PolarHBondContact O-N 3.39Å; L828-L831 VanDerWaalsContact O-N 3.16Å; Q829-L831 VanDerWaalsContact C-N 3.34Å; L831-Q833 VanDerWaalsContact C-N 3.34Å; L831-Q833 PolarHBondContact O-N 3.38Å; L831-R834 VanDerWaalsContact CD1-NH2 3.27Å; L831-R834 PolarHBondContact O-N 3.41Å; L831-V835 HydrophobicContact CD1-CG2 3.96Å; L831-V835 HydrophobicContact CG-CG2 4.29Å; L831-V835 WeakPolarHBondContact O-CB 3.4Å; L831-V835 VanDerWaalsContact O-CG2 3.29Å; L831-V835 WeakPolarHBondContact O-CG2 3.49Å; L831-V835 PolarHBondContact O-N 3.09Å
832E95.2Very high93.8Very high91 Ų9179.9 Ų79.943%0.42538%0.381SS..Hα-helixtrans-56.2-46.5175.5-80.4173.4-179.900112Y661 L828 Q829 V835 S836Y661-E832 HydrophobicContact CE1-CG 4.24Å; Y661-E832 WeakPolarHBondContact OH-CG 3.28Å; L828-E832 WeakPolarHBondContact O-CB 3.42Å; L828-E832 WeakPolarHBondContact O-CG 3.48Å; L828-E832 PolarHBondContact O-N 2.9Å; Q829-E832 PolarHBondContact O-N 3.32Å; E832-V835 PolarHBondContact O-N 3.4Å; E832-S836 WeakPolarHBondContact O-CB 3.49Å; E832-S836 PolarHBondContact O-N 3.1Å
833Q96.1Very high94.2Very high125 Ų12583 Ų8358%0.58439%0.39SS*.Hα-helixtrans-61.3-46.1175.7-74.5175.3000111.8Q829 L831 S836 L837Q829-Q833 WeakPolarHBondContact O-CB 3.48Å; Q829-Q833 VanDerWaalsContact O-CG 3.28Å; Q829-Q833 WeakPolarHBondContact O-CG 3.37Å; Q829-Q833 PolarHBondContact O-N 2.95Å; L831-Q833 VanDerWaalsContact C-N 3.34Å; L831-Q833 PolarHBondContact O-N 3.38Å; Q833-S836 PolarHBondContact O-N 2.91Å; Q833-L837 WeakPolarHBondContact O-CB 3.36Å; Q833-L837 VanDerWaalsContact O-CG 3.31Å; Q833-L837 WeakPolarHBondContact O-CG 3.4Å; Q833-L837 PolarHBondContact O-N 3.06Å
834R96.2Very high94.8Very high140 Ų14083.3 Ų83.353%0.52839%0.392SS..Hα-helixtrans-62.3-45.5179.3-175176.172.8-163.14.8111.9E660 K830 L831 R838E660-R834 IonicContact OE1-CZ 3.69Å; E660-R834 IonicContact OE1-NE 2.85Å; E660-R834 IonicContact OE1-NH2 3.09Å; E660-R834 PolarHBondContact OE1-NH2 3.22Å; K830-R834 WeakPolarHBondContact O-CB 3.32Å; K830-R834 PolarHBondContact O-N 3.06Å; L831-R834 VanDerWaalsContact CD1-NH2 3.27Å; L831-R834 PolarHBondContact O-N 3.41Å; R834-R838 WeakPolarHBondContact O-CB 3.27Å; R834-R838 PolarHBondContact O-N 3.01Å
835V95.4Very high94.9Very high10 Ų1086.9 Ų86.96%0.06141%0.407CS..Hα-helixtrans-63.7-45.1177.3168.20000110.4R657 Y661 L831 E832 R838 R839R657-V835 HydrophobicContact CB-CG1 4.35Å; R657-V835 HydrophobicContact CG-CG1 3.63Å; R657-V835 HydrophobicContact CG-CG2 4.25Å; Y661-V835 HydrophobicContact CE2-CG2 4.24Å; L831-V835 HydrophobicContact CD1-CG2 3.96Å; L831-V835 HydrophobicContact CG-CG2 4.29Å; L831-V835 WeakPolarHBondContact O-CB 3.4Å; L831-V835 VanDerWaalsContact O-CG2 3.29Å; L831-V835 WeakPolarHBondContact O-CG2 3.49Å; L831-V835 PolarHBondContact O-N 3.09Å; E832-V835 PolarHBondContact O-N 3.4Å; V835-R838 PolarHBondContact O-N 3.23Å; V835-R839 WeakPolarHBondContact O-CB 3.39Å; V835-R839 PolarHBondContact O-N 2.99Å
836S95.3Very high95Very high74 Ų7482.4 Ų82.452%0.51739%0.387SS..Hα-helixtrans-61.5-47.1178.5-179.40000112.1E832 Q833 R838 R839 A840E832-S836 WeakPolarHBondContact O-CB 3.49Å; E832-S836 PolarHBondContact O-N 3.1Å; Q833-S836 PolarHBondContact O-N 2.91Å; S836-R838 PolarHBondContact O-N 3.44Å; S836-R839 PolarHBondContact O-N 3.5Å; S836-A840 WeakPolarHBondContact O-CB 3.41Å; S836-A840 PolarHBondContact O-N 2.83Å
837L95.8Very high95Very high125 Ų12581.8 Ų81.865%0.65439%0.39SS*.Hα-helixtrans-62.2-43.2176.3-73.9170.4000112Q833 R839 A840 H841Q833-L837 WeakPolarHBondContact O-CB 3.36Å; Q833-L837 VanDerWaalsContact O-CG 3.31Å; Q833-L837 WeakPolarHBondContact O-CG 3.4Å; Q833-L837 PolarHBondContact O-N 3.06Å; L837-R839 VanDerWaalsContact C-N 3.32Å; L837-R839 PolarHBondContact O-N 3.21Å; L837-A840 PolarHBondContact O-N 3.23Å; L837-H841 WeakPolarHBondContact O-CB 3.41Å; L837-H841 PolarHBondContact O-N 3.26Å
838R95.9Very high95.1Very high77 Ų7785 Ų8529%0.29141%0.405SS..Hα-helixtrans-60.2-44175.8-175.2176.471.4-150-0.6111.1D653 E660 R834 V835 S836 H841 L842D653-R838 IonicContact OD1-CZ 2.71Å; D653-R838 VanDerWaalsContact OD1-CZ 3.29Å; D653-R838 IonicContact OD1-NE 3.17Å; D653-R838 PolarHBondContact OD1-NE 3Å; D653-R838 IonicContact OD1-NH2 3.84Å; D653-R838 PolarHBondContact OD1-NH2 2.9Å; E660-R838 IonicContact OE1-NH1 3.75Å; E660-R838 PolarHBondContact OE1-NH1 3.44Å; E660-R838 IonicContact OE2-CZ 2.83Å; E660-R838 IonicContact OE2-NH1 3.85Å; E660-R838 PolarHBondContact OE2-NH1 3.22Å; E660-R838 IonicContact OE2-NH2 3.73Å; E660-R838 PolarHBondContact OE2-NH2 3.34Å; E660-R838 VanDerWaalsContact OE2-NH2 3.09Å; R834-R838 WeakPolarHBondContact O-CB 3.27Å; R834-R838 PolarHBondContact O-N 3.01Å; V835-R838 PolarHBondContact O-N 3.23Å; S836-R838 PolarHBondContact O-N 3.44Å; R838-H841 PolarHBondContact O-N 2.97Å; R838-L842 WeakPolarHBondContact O-CB 3.46Å; R838-L842 PolarHBondContact O-N 3.42Å
839R94.8Very high95Very high64 Ų6484.2 Ų84.224%0.24240%0.4CS..Hα-helixtrans-63.6-47.5178.2-177.658.7175.2-139.51.4112.1D653 E654 V835 S836 L837 H841 L842 E843D653-R839 WeakPolarHBondContact OD2-CD 3.43Å; D653-R839 IonicContact OD2-NH1 2.78Å; D653-R839 PolarHBondContact OD2-NH1 2.93Å; E654-R839 IonicContact OE1-NH1 3.74Å; V835-R839 WeakPolarHBondContact O-CB 3.39Å; V835-R839 PolarHBondContact O-N 2.99Å; S836-R839 PolarHBondContact O-N 3.5Å; L837-R839 VanDerWaalsContact C-N 3.32Å; L837-R839 PolarHBondContact O-N 3.21Å; R839-H841 VanDerWaalsContact C-N 3.32Å; R839-H841 PolarHBondContact O-N 2.93Å; R839-L842 WeakPolarHBondContact O-CB 3.49Å; R839-L842 PolarHBondContact O-N 2.91Å; R839-E843 IonicContact CZ-OE1 2.9Å; R839-E843 IonicContact NE-OE1 2.78Å; R839-E843 PolarHBondContact NE-OE1 3.12Å; R839-E843 IonicContact NH2-OE1 3.7Å; R839-E843 WeakPolarHBondContact O-CG 3.27Å; R839-E843 PolarHBondContact O-N 3.45Å
840A95.1Very high94.8Very high52 Ų5283.5 Ų83.543%0.4340%0.399SS..Hα-helixtrans-60.5-42.1177.900000111.9S836 L837 E843 Q844S836-A840 WeakPolarHBondContact O-CB 3.41Å; S836-A840 PolarHBondContact O-N 2.83Å; L837-A840 PolarHBondContact O-N 3.23Å; A840-E843 PolarHBondContact O-N 3.32Å; A840-Q844 WeakPolarHBondContact O-CB 3.43Å; A840-Q844 PolarHBondContact O-N 2.87Å
841H96.3Very high94.7Very high126 Ų12679.3 Ų79.358%0.58339%0.392SS*.Hα-helixtrans-66.3-38.2177.2-16857.1000112.3L837 R838 R839 K845L837-H841 WeakPolarHBondContact O-CB 3.41Å; L837-H841 PolarHBondContact O-N 3.26Å; R838-H841 PolarHBondContact O-N 2.97Å; R839-H841 VanDerWaalsContact C-N 3.32Å; R839-H841 PolarHBondContact O-N 2.93Å; H841-K845 WeakPolarHBondContact O-CB 3.33Å; H841-K845 PolarHBondContact O-N 3.03Å
842L94.9Very high94.5Very high24 Ų2481.6 Ų81.613%0.12641%0.412CS..Hα-helixtrans-63.5-45.6174.1177.963.1000111.5L649 I650 D653 R838 R839 K845 I846L649-L842 HydrophobicContact CB-CD1 3.92Å; L649-L842 HydrophobicContact CB-CD2 4.47Å; L649-L842 HydrophobicContact CD1-CD1 4.17Å; I650-L842 HydrophobicContact CG1-CD2 4.43Å; D653-L842 HydrophobicContact CB-CD2 3.93Å; R838-L842 WeakPolarHBondContact O-CB 3.46Å; R838-L842 PolarHBondContact O-N 3.42Å; R839-L842 WeakPolarHBondContact O-CB 3.49Å; R839-L842 PolarHBondContact O-N 2.91Å; L842-K845 PolarHBondContact O-N 3.49Å; L842-I846 HydrophobicContact CD1-CD1 4.17Å; L842-I846 HydrophobicContact CD1-CG1 4.45Å; L842-I846 HydrophobicContact CG-CD1 4.02Å; L842-I846 VanDerWaalsContact O-CG1 3.29Å; L842-I846 WeakPolarHBondContact O-CG1 3.5Å; L842-I846 PolarHBondContact O-N 2.9Å
843E93.9Very high94.3Very high98 Ų9878.5 Ų78.546%0.45840%0.398SS..Hα-helixtrans-62.9-44.2178.2-73.8173.1178.800111.8R839 A840 K845 I846 E847R839-E843 IonicContact CZ-OE1 2.9Å; R839-E843 IonicContact NE-OE1 2.78Å; R839-E843 PolarHBondContact NE-OE1 3.12Å; R839-E843 IonicContact NH2-OE1 3.7Å; R839-E843 WeakPolarHBondContact O-CG 3.27Å; R839-E843 PolarHBondContact O-N 3.45Å; A840-E843 PolarHBondContact O-N 3.32Å; E843-K845 PolarHBondContact O-N 3.11Å; E843-I846 PolarHBondContact O-N 2.83Å; E843-E847 PolarHBondContact O-N 3.34Å
844Q95.8Very high93.9Very high96 Ų9677.4 Ų77.445%0.44939%0.393SS..Hα-helixtrans-59.3-46.2174-177-174.3-8.100111.5A840 I846 E847 E848A840-Q844 WeakPolarHBondContact O-CB 3.43Å; A840-Q844 PolarHBondContact O-N 2.87Å; Q844-I846 VanDerWaalsContact C-N 3.31Å; Q844-I846 PolarHBondContact O-N 2.89Å; Q844-E847 PolarHBondContact O-N 3.44Å; Q844-E848 HydrophobicContact CG-CG 4.49Å; Q844-E848 WeakPolarHBondContact CG-OE1 3.46Å; Q844-E848 PolarHBondContact NE2-OE1 3.11Å; Q844-E848 WeakPolarHBondContact O-CG 3.3Å; Q844-E848 PolarHBondContact O-N 3.39Å
845K95Very high93.7Very high95 Ų9577 Ų7741%0.41340%0.395SS..Hα-helixtrans-60.9-41.7178.2-176.2-178.9176.7-173.40111.7H841 L842 E843 E847 E848 E849H841-K845 WeakPolarHBondContact O-CB 3.33Å; H841-K845 PolarHBondContact O-N 3.03Å; L842-K845 PolarHBondContact O-N 3.49Å; E843-K845 PolarHBondContact O-N 3.11Å; K845-E847 VanDerWaalsContact C-N 3.34Å; K845-E848 PolarHBondContact O-N 3.01Å; K845-E849 VanDerWaalsContact CE-OE1 3.24Å; K845-E849 WeakPolarHBondContact CE-OE1 3.33Å; K845-E849 WeakPolarHBondContact O-CB 3.47Å; K845-E849 WeakPolarHBondContact O-CG 3.3Å; K845-E849 PolarHBondContact O-N 3.48Å
846I94Very high93.4Very high23 Ų2379.4 Ų79.412%0.11841%0.406CS..Hα-helixtrans-61.1-45.2175.7-72.5168.4000110.3H646 I650 L842 E843 Q844 E849 L850H646-I846 HydrophobicContact CB-CD1 4.13Å; H646-I846 HydrophobicContact CB-CG1 4.14Å; H646-I846 HydrophobicContact CB-CG2 4.36Å; I650-I846 HydrophobicContact CD1-CD1 4.08Å; I650-I846 HydrophobicContact CG1-CD1 4.07Å; L842-I846 HydrophobicContact CD1-CD1 4.17Å; L842-I846 HydrophobicContact CD1-CG1 4.45Å; L842-I846 HydrophobicContact CG-CD1 4.02Å; L842-I846 VanDerWaalsContact O-CG1 3.29Å; L842-I846 WeakPolarHBondContact O-CG1 3.5Å; L842-I846 PolarHBondContact O-N 2.9Å; E843-I846 PolarHBondContact O-N 2.83Å; Q844-I846 VanDerWaalsContact C-N 3.31Å; Q844-I846 PolarHBondContact O-N 2.89Å; I846-E849 PolarHBondContact O-N 3.42Å; I846-L850 HydrophobicContact CG2-CD1 3.95Å; I846-L850 HydrophobicContact CG2-CG 4.46Å; I846-L850 WeakPolarHBondContact O-CB 3.47Å; I846-L850 VanDerWaalsContact O-CG 3.29Å; I846-L850 WeakPolarHBondContact O-CG 3.4Å; I846-L850 PolarHBondContact O-N 3.38Å
847E93.4Very high93Very high143 Ų14380.3 Ų80.367%0.66840%0.398SS*.Hα-helixtrans-62.6-45.1178.5-171.3174.4-169.800112.3E843 Q844 K845 E849 L850 A851E843-E847 PolarHBondContact O-N 3.34Å; Q844-E847 PolarHBondContact O-N 3.44Å; K845-E847 VanDerWaalsContact C-N 3.34Å; E847-E849 PolarHBondContact O-N 3.29Å; E847-L850 PolarHBondContact O-N 2.99Å; E847-A851 WeakPolarHBondContact O-CB 3.22Å; E847-A851 PolarHBondContact O-N 3.47Å
848E94.4Very high92.6Very high112 Ų11277.6 Ų77.652%0.52339%0.39SS..Hα-helixtrans-60.9-43.4176-73174.7-172.300111.9Q844 K845 A851 A852Q844-E848 HydrophobicContact CG-CG 4.49Å; Q844-E848 WeakPolarHBondContact CG-OE1 3.46Å; Q844-E848 PolarHBondContact NE2-OE1 3.11Å; Q844-E848 WeakPolarHBondContact O-CG 3.3Å; Q844-E848 PolarHBondContact O-N 3.39Å; K845-E848 PolarHBondContact O-N 3.01Å; E848-A851 PolarHBondContact O-N 3.38Å; E848-A852 WeakPolarHBondContact O-CB 3.32Å; E848-A852 PolarHBondContact O-N 2.9Å
849E92.9Very high92.3Very high45 Ų4578.6 Ų78.621%0.2140%0.397CS..Hα-helixtrans-66.4-40.1177.3-75.7-172.4-170.300112.5K642 H646 K845 I846 E847 A852 L853K642-E849 IonicContact NZ-OE1 2.64Å; K642-E849 IonicContact NZ-OE2 3.9Å; K642-E849 PolarHBondContact NZ-OE2 3.04Å; H646-E849 IonicContact CD2-OE2 2.78Å; H646-E849 IonicContact CE1-OE2 3.45Å; H646-E849 IonicContact NE2-OE2 2.91Å; H646-E849 PolarHBondContact NE2-OE2 2.98Å; K845-E849 VanDerWaalsContact CE-OE1 3.24Å; K845-E849 WeakPolarHBondContact CE-OE1 3.33Å; K845-E849 WeakPolarHBondContact O-CB 3.47Å; K845-E849 WeakPolarHBondContact O-CG 3.3Å; K845-E849 PolarHBondContact O-N 3.48Å; I846-E849 PolarHBondContact O-N 3.42Å; E847-E849 PolarHBondContact O-N 3.29Å; E849-A852 PolarHBondContact O-N 2.62Å; E849-L853 WeakPolarHBondContact O-CB 3.48Å; E849-L853 PolarHBondContact O-N 3.45Å
850L90.9Very high91.9Very high75 Ų7579.4 Ų79.439%0.39340%0.4SS..Hα-helixtrans-65.2-41.4175.2-72.2173.1000111.5I846 E847 L853 Q854I846-L850 HydrophobicContact CG2-CD1 3.95Å; I846-L850 HydrophobicContact CG2-CG 4.46Å; I846-L850 WeakPolarHBondContact O-CB 3.47Å; I846-L850 VanDerWaalsContact O-CG 3.29Å; I846-L850 WeakPolarHBondContact O-CG 3.4Å; I846-L850 PolarHBondContact O-N 3.38Å; E847-L850 PolarHBondContact O-N 2.99Å; L850-L853 PolarHBondContact O-N 2.9Å; L850-Q854 WeakPolarHBondContact O-CB 3.35Å; L850-Q854 PolarHBondContact O-N 3.47Å
851A91.8Very high91.4Very high60 Ų6080.5 Ų80.550%0.49640%0.398SS..Hα-helixtrans-63.8-42.8175.300000111.8E847 E848 Q854 K855E847-A851 WeakPolarHBondContact O-CB 3.22Å; E847-A851 PolarHBondContact O-N 3.47Å; E848-A851 PolarHBondContact O-N 3.38Å; A851-Q854 PolarHBondContact O-N 2.99Å; A851-K855 WeakPolarHBondContact O-CB 3.48Å; A851-K855 PolarHBondContact O-N 3.49Å
852A91.8Very high90.8Very high59 Ų5980.2 Ų80.249%0.48840%0.395SS..Hα-helixtrans-61.5-43.2175.700000111.9E848 E849 Q854 K855 E856E848-A852 WeakPolarHBondContact O-CB 3.32Å; E848-A852 PolarHBondContact O-N 2.9Å; E849-A852 PolarHBondContact O-N 2.62Å; A852-Q854 PolarHBondContact O-N 3.11Å; A852-K855 WeakPolarHBondContact O-CB 3.38Å; A852-K855 PolarHBondContact O-N 2.89Å; A852-E856 PolarHBondContact O-N 3.4Å
853L89.8Confident90.4Very high25 Ų2583.6 Ų83.613%0.13141%0.414CS..Hα-helixtrans-65.3-38.3177.2-172.4137000112K638 R639 K642 E849 L850 K855 E856 R857K638-L853 HydrophobicContact CB-CD1 4.49Å; R639-L853 HydrophobicContact CB-CD2 4.04Å; R639-L853 HydrophobicContact CG-CD2 4.03Å; K642-L853 HydrophobicContact CB-CD1 4.25Å; K642-L853 HydrophobicContact CG-CD1 3.98Å; E849-L853 WeakPolarHBondContact O-CB 3.48Å; E849-L853 PolarHBondContact O-N 3.45Å; L850-L853 PolarHBondContact O-N 2.9Å; L853-K855 VanDerWaalsContact C-N 3.35Å; L853-E856 PolarHBondContact O-N 2.73Å; L853-R857 WeakPolarHBondContact O-CB 3.13Å; L853-R857 PolarHBondContact O-N 3.23Å
854Q88.8Confident89.9Confident103 Ų10379.7 Ų79.748%0.48140%0.396SS..Hα-helixtrans-67.9-35.1174.9-174.269.5-16.400112.4L850 A851 A852 S858L850-Q854 WeakPolarHBondContact O-CB 3.35Å; L850-Q854 PolarHBondContact O-N 3.47Å; A851-Q854 PolarHBondContact O-N 2.99Å; A852-Q854 PolarHBondContact O-N 3.11Å; Q854-S858 PolarHBondContact O-N 2.87Å; Q854-S858 PolarHBondContact O-OG 2.97Å
855K91.3Very high89.1Confident131 Ų13179.9 Ų79.957%0.5740%0.399SS*.Hα-helixtrans-66.1-47.9172.3-175.1-179.3173-174.90111.3A851 A852 L853 R857 S858 E859A851-K855 WeakPolarHBondContact O-CB 3.48Å; A851-K855 PolarHBondContact O-N 3.49Å; A852-K855 WeakPolarHBondContact O-CB 3.38Å; A852-K855 PolarHBondContact O-N 2.89Å; L853-K855 VanDerWaalsContact C-N 3.35Å; K855-R857 VanDerWaalsContact C-N 3.27Å; K855-R857 PolarHBondContact O-N 3.31Å; K855-S858 WeakPolarHBondContact O-CB 3.42Å; K855-S858 PolarHBondContact O-N 3.26Å; K855-S858 VanDerWaalsContact O-N 3.09Å; K855-E859 WeakPolarHBondContact CE-OE1 3.48Å; K855-E859 PolarHBondContact O-N 2.99Å
856E89.1Confident88.6Confident61 Ų6180.3 Ų80.329%0.28540%0.403SS..Hα-helixtrans-55.1-46.4175.4-174.9-170.6166.300110.2K638 A852 L853 S858 E859 R860K638-E856 IonicContact NZ-OE1 3.8Å; K638-E856 PolarHBondContact NZ-OE1 2.97Å; K638-E856 IonicContact NZ-OE2 2.92Å; A852-E856 PolarHBondContact O-N 3.4Å; L853-E856 PolarHBondContact O-N 2.73Å; E856-S858 VanDerWaalsContact C-N 3.35Å; E856-S858 PolarHBondContact O-N 2.89Å; E856-E859 PolarHBondContact O-N 3.48Å; E856-R860 VanDerWaalsContact O-CB 3.32Å; E856-R860 WeakPolarHBondContact O-CB 3.23Å; E856-R860 PolarHBondContact O-N 3.22Å; E856-R860 IonicContact OE1-NH1 3.6Å; E856-R860 PolarHBondContact OE1-NH1 3.32Å
857R87.3Confident88Confident93 Ų9381.5 Ų81.535%0.35141%0.413SS..Hα-helixtrans-56.4-47.5176.3173.3170-169.8-165.13112.2L635 L853 K855 R860 I861L635-R857 HydrophobicContact CD1-CB 4.24Å; L635-R857 HydrophobicContact CD1-CG 4.05Å; L635-R857 HydrophobicContact CD2-CB 4.39Å; L853-R857 WeakPolarHBondContact O-CB 3.13Å; L853-R857 PolarHBondContact O-N 3.23Å; K855-R857 VanDerWaalsContact C-N 3.27Å; K855-R857 PolarHBondContact O-N 3.31Å; R857-R860 PolarHBondContact O-N 3.37Å; R857-I861 HydrophobicContact CG-CD1 3.91Å; R857-I861 WeakPolarHBondContact O-CD1 3.39Å; R857-I861 VanDerWaalsContact O-CG1 3.25Å; R857-I861 WeakPolarHBondContact O-CG1 3.31Å; R857-I861 PolarHBondContact O-N 3.44Å; R857-I861 VanDerWaalsContact O-N 3.09Å
858S87.2Confident87.3Confident68 Ų6876.2 Ų76.248%0.47639%0.389SS..Hα-helixtrans-63.7-44.3-179.7-59.70000112Q854 K855 E856 I861 K862Q854-S858 PolarHBondContact O-N 2.87Å; Q854-S858 PolarHBondContact O-OG 2.97Å; K855-S858 WeakPolarHBondContact O-CB 3.42Å; K855-S858 PolarHBondContact O-N 3.26Å; K855-S858 VanDerWaalsContact O-N 3.09Å; E856-S858 VanDerWaalsContact C-N 3.35Å; E856-S858 PolarHBondContact O-N 2.89Å; S858-I861 PolarHBondContact O-N 3.33Å; S858-K862 WeakPolarHBondContact O-CB 3.35Å; S858-K862 PolarHBondContact O-N 3.34Å
859E89.7Confident86.4Confident97 Ų9777.3 Ų77.345%0.45339%0.388SS..Hα-helixtrans-65-42.7178.2-74177.2-178.700112.1K855 E856 I861 K862 N863K855-E859 WeakPolarHBondContact CE-OE1 3.48Å; K855-E859 PolarHBondContact O-N 2.99Å; E856-E859 PolarHBondContact O-N 3.48Å; E859-I861 VanDerWaalsContact C-N 3.35Å; E859-I861 PolarHBondContact O-N 3.22Å; E859-K862 WeakPolarHBondContact O-CB 3.12Å; E859-K862 PolarHBondContact O-N 2.97Å; E859-N863 WeakPolarHBondContact O-CB 3.46Å; E859-N863 VanDerWaalsContact O-CG 3.24Å; E859-N863 PolarHBondContact O-N 3.4Å
860R86.4Confident85.7Confident81 Ų8178.6 Ų78.631%0.30640%0.402SS..Hα-helixtrans-66.4-38.1-179.7-146156.9-179.5142.1-7.1111.9I631 E634 E856 R857 L864I631-R860 HydrophobicContact CG2-CB 4.47Å; I631-R860 HydrophobicContact CG2-CG 4.01Å; E634-R860 IonicContact OE1-CZ 3.05Å; E634-R860 IonicContact OE1-NH1 3.51Å; E634-R860 IonicContact OE1-NH2 3.9Å; E634-R860 PolarHBondContact OE1-NH2 3.06Å; E634-R860 IonicContact OE2-CZ 3.51Å; E634-R860 IonicContact OE2-NE 2.84Å; E634-R860 IonicContact OE2-NH2 3.93Å; E634-R860 PolarHBondContact OE2-NH2 3.18Å; E856-R860 VanDerWaalsContact O-CB 3.32Å; E856-R860 WeakPolarHBondContact O-CB 3.23Å; E856-R860 PolarHBondContact O-N 3.22Å; E856-R860 IonicContact OE1-NH1 3.6Å; E856-R860 PolarHBondContact OE1-NH1 3.32Å; R857-R860 PolarHBondContact O-N 3.37Å; R860-L864 VanDerWaalsContact O-CB 3.32Å; R860-L864 WeakPolarHBondContact O-CB 3.45Å; R860-L864 PolarHBondContact O-N 3.03Å; R860-L864 VanDerWaalsContact O-N 3.14Å
861I83.9Confident85Confident75 Ų7576.7 Ų76.739%0.38540%0.395SS..Hα-helixtrans-65.3-44.2172.2-68.3167.2000110.7R857 S858 E859 L864 L865R857-I861 HydrophobicContact CG-CD1 3.91Å; R857-I861 WeakPolarHBondContact O-CD1 3.39Å; R857-I861 VanDerWaalsContact O-CG1 3.25Å; R857-I861 WeakPolarHBondContact O-CG1 3.31Å; R857-I861 PolarHBondContact O-N 3.44Å; R857-I861 VanDerWaalsContact O-N 3.09Å; S858-I861 PolarHBondContact O-N 3.33Å; E859-I861 VanDerWaalsContact C-N 3.35Å; E859-I861 PolarHBondContact O-N 3.22Å; I861-L864 WeakPolarHBondContact O-CB 3.38Å; I861-L864 PolarHBondContact O-N 2.97Å; I861-L865 HydrophobicContact CG2-CD1 4.12Å; I861-L865 WeakPolarHBondContact O-CG 3.43Å; I861-L865 PolarHBondContact O-N 3.37Å
862K85.4Confident84.2Confident120 Ų12075.6 Ų75.652%0.52238%0.383SS..Hα-helixtrans-60.9-50.1178.3-178-174.6169.8-170.10111.8S858 E859 L864 L865 E866S858-K862 WeakPolarHBondContact O-CB 3.35Å; S858-K862 PolarHBondContact O-N 3.34Å; E859-K862 WeakPolarHBondContact O-CB 3.12Å; E859-K862 PolarHBondContact O-N 2.97Å; K862-L864 PolarHBondContact O-N 2.87Å; K862-L865 PolarHBondContact O-N 2.99Å; K862-L865 VanDerWaalsContact O-N 3.11Å; K862-E866 WeakPolarHBondContact CE-OE1 3.41Å; K862-E866 IonicContact NZ-OE1 3.87Å; K862-E866 PolarHBondContact O-N 3.03Å
863N86.1Confident83.3Confident96 Ų9675.6 Ų75.651%0.51337%0.374SS..Hα-helixtrans-59.4-38.2179.2-69.3-12.6000111.6E859 E866 S867E859-N863 WeakPolarHBondContact O-CB 3.46Å; E859-N863 VanDerWaalsContact O-CG 3.24Å; E859-N863 PolarHBondContact O-N 3.4Å; N863-E866 PolarHBondContact O-N 3.43Å; N863-S867 WeakPolarHBondContact O-CB 3.46Å; N863-S867 PolarHBondContact O-N 3.49Å
864L82.1Confident82.4Confident15 Ų1577.2 Ų77.28%0.07939%0.388CS..Hα-helixtrans-65.5-44.2175.5-176.963.6000112E627 Q628 I631 R860 I861 K862 S867 I868E627-L864 HydrophobicContact CB-CD1 4.43Å; E627-L864 HydrophobicContact CG-CD1 3.85Å; Q628-L864 HydrophobicContact CB-CD2 4.14Å; Q628-L864 HydrophobicContact CG-CD2 3.33Å; Q628-L864 HydrophobicContact CG-CG 4.12Å; I631-L864 HydrophobicContact CD1-CB 4.35Å; I631-L864 HydrophobicContact CD1-CD1 3.89Å; I631-L864 HydrophobicContact CD1-CD2 3.72Å; I631-L864 HydrophobicContact CD1-CG 4.22Å; R860-L864 VanDerWaalsContact O-CB 3.32Å; R860-L864 WeakPolarHBondContact O-CB 3.45Å; R860-L864 PolarHBondContact O-N 3.03Å; R860-L864 VanDerWaalsContact O-N 3.14Å; I861-L864 WeakPolarHBondContact O-CB 3.38Å; I861-L864 PolarHBondContact O-N 2.97Å; K862-L864 PolarHBondContact O-N 2.87Å; L864-S867 PolarHBondContact O-N 2.96Å; L864-I868 HydrophobicContact CD1-CD1 4.33Å; L864-I868 HydrophobicContact CG-CD1 4.01Å; L864-I868 WeakPolarHBondContact O-CB 3.39Å; L864-I868 WeakPolarHBondContact O-CD1 3.49Å; L864-I868 WeakPolarHBondContact O-CG1 3.35Å; L864-I868 PolarHBondContact O-N 3.2Å
865L80.8Confident81.3Confident100 Ų10074 Ų7452%0.52437%0.373SS..Hα-helixtrans-62.8-41.3175.7-70.7172.2000111.9I861 K862 I868 W869I861-L865 HydrophobicContact CG2-CD1 4.12Å; I861-L865 WeakPolarHBondContact O-CG 3.43Å; I861-L865 PolarHBondContact O-N 3.37Å; K862-L865 PolarHBondContact O-N 2.99Å; K862-L865 VanDerWaalsContact O-N 3.11Å; L865-I868 PolarHBondContact O-N 3.05Å; L865-W869 VanDerWaalsContact O-CB 3.28Å; L865-W869 WeakPolarHBondContact O-CB 3.49Å; L865-W869 PolarHBondContact O-N 3.23Å
866E83.3Confident80Confident105 Ų10570.7 Ų70.749%0.49136%0.362SS..Hα-helixtrans-63.6-42174.9-74.6-179.7-176.400112K862 N863 W869 S870K862-E866 WeakPolarHBondContact CE-OE1 3.41Å; K862-E866 IonicContact NZ-OE1 3.87Å; K862-E866 PolarHBondContact O-N 3.03Å; N863-E866 PolarHBondContact O-N 3.43Å; E866-W869 PolarHBondContact O-N 3.49Å; E866-S870 WeakPolarHBondContact O-CB 3.48Å; E866-S870 PolarHBondContact O-N 3.49Å
867S80.9Confident78.5Confident48 Ų4873.3 Ų73.334%0.33637%0.374SS..Hα-helixtrans-62.7-44.9175.4-178.60000112.2N863 L864 W869 S870 S871N863-S867 WeakPolarHBondContact O-CB 3.46Å; N863-S867 PolarHBondContact O-N 3.49Å; L864-S867 PolarHBondContact O-N 2.96Å; S867-W869 VanDerWaalsContact C-N 3.32Å; S867-W869 PolarHBondContact O-N 3.31Å; S867-S870 PolarHBondContact O-N 3.32Å; S867-S871 VanDerWaalsContact O-CB 3.29Å; S867-S871 WeakPolarHBondContact O-CB 3.44Å; S867-S871 PolarHBondContact O-N 2.85Å; S867-S871 PolarHBondContact O-OG 3.28Å
868I80.1Confident76.9Confident32 Ų3273.1 Ų73.116%0.16438%0.38CS..Hα-helixtrans-60.8-45.1175.4-68.7165.7000110.2H624 Q628 L864 L865 T872H624-I868 HydrophobicContact CB-CD1 4.16Å; H624-I868 HydrophobicContact CB-CG1 3.89Å; Q628-I868 HydrophobicContact CG-CD1 4.43Å; L864-I868 HydrophobicContact CD1-CD1 4.33Å; L864-I868 HydrophobicContact CG-CD1 4.01Å; L864-I868 WeakPolarHBondContact O-CB 3.39Å; L864-I868 WeakPolarHBondContact O-CD1 3.49Å; L864-I868 WeakPolarHBondContact O-CG1 3.35Å; L864-I868 PolarHBondContact O-N 3.2Å; L865-I868 PolarHBondContact O-N 3.05Å; I868-T872 WeakPolarHBondContact O-CB 3.5Å; I868-T872 WeakPolarHBondContact O-CG2 3.46Å; I868-T872 PolarHBondContact O-N 2.85Å; I868-T872 PolarHBondContact O-OG1 3.48Å
869W75.6Confident75.1Confident134 Ų13473.8 Ų73.851%0.50838%0.377SS..Hα-helixtrans-64.9-47180-170.882.9000111.9L865 E866 S867 S871 T872 L873L865-W869 VanDerWaalsContact O-CB 3.28Å; L865-W869 WeakPolarHBondContact O-CB 3.49Å; L865-W869 PolarHBondContact O-N 3.23Å; E866-W869 PolarHBondContact O-N 3.49Å; S867-W869 VanDerWaalsContact C-N 3.32Å; S867-W869 PolarHBondContact O-N 3.31Å; W869-S871 PolarHBondContact O-N 3.46Å; W869-T872 WeakPolarHBondContact CA-OG1 3.43Å; W869-T872 PolarHBondContact O-N 3.43Å; W869-T872 PolarHBondContact O-OG1 2.97Å; W869-L873 HydrophobicContact CH2-CD1 4.18Å; W869-L873 HydrophobicContact CH2-CD2 3.96Å; W869-L873 HydrophobicContact CZ2-CD1 3.95Å; W869-L873 HydrophobicContact CZ3-CD2 4.07Å; W869-L873 WeakPolarHBondContact O-CB 3.34Å; W869-L873 PolarHBondContact O-N 3.31Å
870S78.4Confident73.1Confident72 Ų7272.7 Ų72.750%0.50337%0.374SS..Hα-helixtrans-60.5-45.6176.3-176.20000112.2E866 S867 T872 L873 S874E866-S870 WeakPolarHBondContact O-CB 3.48Å; E866-S870 PolarHBondContact O-N 3.49Å; S867-S870 PolarHBondContact O-N 3.32Å; S870-T872 PolarHBondContact O-N 2.81Å; S870-L873 PolarHBondContact O-N 2.9Å; S870-S874 PolarHBondContact O-N 3.37Å
871S76.3Confident71.4Confident35 Ų3574.4 Ų74.425%0.24539%0.388CS..Hα-helixtrans-64.5-40.8180-590000111.9M620 S867 W869 S874 L875M620-S871 VanDerWaalsContact SD-CB 3.58Å; S867-S871 VanDerWaalsContact O-CB 3.29Å; S867-S871 WeakPolarHBondContact O-CB 3.44Å; S867-S871 PolarHBondContact O-N 2.85Å; S867-S871 PolarHBondContact O-OG 3.28Å; W869-S871 PolarHBondContact O-N 3.46Å; S871-S874 PolarHBondContact O-OG 2.91Å; S871-L875 PolarHBondContact O-N 3.2Å
872T74Confident69.6Low37 Ų3775.3 Ų75.323%0.22739%0.389CS..Hα-helixtrans-68.3-38.4173.649.20000112.6M620 I868 W869 S870 L875 N876M620-T872 HydrophobicContact CE-CG2 3.43Å; M620-T872 VanDerWaalsContact CE-CG2 3.43Å; I868-T872 WeakPolarHBondContact O-CB 3.5Å; I868-T872 WeakPolarHBondContact O-CG2 3.46Å; I868-T872 PolarHBondContact O-N 2.85Å; I868-T872 PolarHBondContact O-OG1 3.48Å; W869-T872 WeakPolarHBondContact CA-OG1 3.43Å; W869-T872 PolarHBondContact O-N 3.43Å; W869-T872 PolarHBondContact O-OG1 2.97Å; S870-T872 PolarHBondContact O-N 2.81Å; T872-L875 PolarHBondContact O-N 3.26Å; T872-N876 WeakPolarHBondContact O-CB 3.44Å; T872-N876 VanDerWaalsContact O-CG 3.23Å; T872-N876 PolarHBondContact O-N 3.44Å; T872-N876 VanDerWaalsContact O-N 3.11Å; T872-N876 PolarHBondContact O-ND2 3.01Å; T872-N876 VanDerWaalsContact O-ND2 3.16Å
873L72.8Confident67.7Low59 Ų5976.6 Ų76.631%0.30940%0.395SS..Hα-helixtrans-63.5-42.7176.2-156.784.7000111.6W869 S870 L875 N876 Q877W869-L873 HydrophobicContact CH2-CD1 4.18Å; W869-L873 HydrophobicContact CH2-CD2 3.96Å; W869-L873 HydrophobicContact CZ2-CD1 3.95Å; W869-L873 HydrophobicContact CZ3-CD2 4.07Å; W869-L873 WeakPolarHBondContact O-CB 3.34Å; W869-L873 PolarHBondContact O-N 3.31Å; S870-L873 PolarHBondContact O-N 2.9Å; L873-L875 PolarHBondContact O-N 3.35Å; L873-N876 CarbonylContact O-C 3.59Å; L873-N876 PolarHBondContact O-N 2.97Å; L873-N876 VanDerWaalsContact O-N 3.07Å; L873-Q877 PolarHBondContact O-N 3.36Å
874S70.4Confident65.9Low59 Ų5974.2 Ų74.241%0.41338%0.38SS..Hα-helixtrans-60.2-42.3178.376.90000112.6S870 S871 N876 I878S870-S874 PolarHBondContact O-N 3.37Å; S871-S874 PolarHBondContact O-OG 2.91Å; S874-N876 VanDerWaalsContact C-N 3.3Å; S874-N876 PolarHBondContact O-N 3.49Å; S874-I878 WeakPolarHBondContact O-CD1 3.29Å; S874-I878 WeakPolarHBondContact O-CG1 3.14Å; S874-I878 PolarHBondContact O-N 3.03Å
875L66.4Low64.3Low35 Ų3578.4 Ų78.418%0.18341%0.407CS..Hα-helixtrans-67.1-31.5175-81.6162.2000112.3M620 S871 T872 L873M620-L875 HydrophobicContact CB-CD1 4.49Å; M620-L875 HydrophobicContact CE-CD1 3.42Å; M620-L875 VanDerWaalsContact CE-CD1 3.42Å; M620-L875 HydrophobicContact SD-CD1 3.29Å; M620-L875 WeakPolarHBondContact SD-CD1 3.34Å; S871-L875 PolarHBondContact O-N 3.2Å; T872-L875 PolarHBondContact O-N 3.26Å; L873-L875 PolarHBondContact O-N 3.35Å
876N64.4Low62.6Low63 Ų6377.9 Ų77.934%0.33741%0.411SS..Hα-helixtrans-83.7-31.5179.9-70.5-25.7000113.4T872 L873 S874 I878 I879 L880T872-N876 WeakPolarHBondContact O-CB 3.44Å; T872-N876 VanDerWaalsContact O-CG 3.23Å; T872-N876 PolarHBondContact O-N 3.44Å; T872-N876 VanDerWaalsContact O-N 3.11Å; T872-N876 PolarHBondContact O-ND2 3.01Å; T872-N876 VanDerWaalsContact O-ND2 3.16Å; L873-N876 CarbonylContact O-C 3.59Å; L873-N876 PolarHBondContact O-N 2.97Å; L873-N876 VanDerWaalsContact O-N 3.07Å; S874-N876 VanDerWaalsContact C-N 3.3Å; S874-N876 PolarHBondContact O-N 3.49Å; N876-I878 PolarHBondContact O-N 2.71Å; N876-I879 WeakPolarHBondContact O-CA 3.37Å; N876-I879 WeakPolarHBondContact O-CB 3.39Å; N876-I879 PolarHBondContact O-N 3.16Å; N876-L880 PolarHBondContact O-N 3.41Å; N876-L880 VanDerWaalsContact O-N 3.07Å
877Q56.9Low60.9Low115 Ų11577 Ų7754%0.53741%0.409SS..Hα-helixtrans-61.4-35.4172.3-104.8178.3-19.200111.4L873 I879 L880 I881L873-Q877 PolarHBondContact O-N 3.36Å; Q877-I879 PolarHBondContact O-N 2.94Å; Q877-L880 PolarHBondContact O-N 3.01Å; Q877-I881 WeakPolarHBondContact O-CG1 3.42Å; Q877-I881 PolarHBondContact O-N 3.13Å
878I53.2Low59.4Low90 Ų9080.8 Ų80.846%0.46243%0.433SS..Hα-helixtrans-63.7-23.6171.6-63.3166.9000111.7R613 S874 N876R613-I878 PolarHBondContact NH1-O 3.23Å; S874-I878 WeakPolarHBondContact O-CD1 3.29Å; S874-I878 WeakPolarHBondContact O-CG1 3.14Å; S874-I878 PolarHBondContact O-N 3.03Å; N876-I878 PolarHBondContact O-N 2.71Å
879I49.2Very low58.3Low81 Ų8183 Ų8342%0.41545%0.445SS..Hα-helixtrans-79-45173.9-58.5173000110.5N876 Q877 F882 F883N876-I879 WeakPolarHBondContact O-CA 3.37Å; N876-I879 WeakPolarHBondContact O-CB 3.39Å; N876-I879 PolarHBondContact O-N 3.16Å; Q877-I879 PolarHBondContact O-N 2.94Å; I879-F882 PolarHBondContact O-N 2.85Å; I879-F883 PolarHBondContact O-N 3.39Å
880L48.4Very low57.2Low74 Ų7480.6 Ų80.639%0.38745%0.446SS..Hα-helixtrans-66-42.7-178.2-101135.8000113.2N876 Q877 F882 F883 F884 L901N876-L880 PolarHBondContact O-N 3.41Å; N876-L880 VanDerWaalsContact O-N 3.07Å; Q877-L880 PolarHBondContact O-N 3.01Å; L880-F882 VanDerWaalsContact C-N 3.28Å; L880-F882 PolarHBondContact O-N 3.44Å; L880-F883 PolarHBondContact O-N 3.01Å; L880-F884 HydrophobicContact CD2-CD2 4.26Å; L880-F884 HydrophobicContact CD2-CE2 3.98Å; L880-F884 WeakPolarHBondContact O-CD2 3.33Å; L880-F884 PolarHBondContact O-N 3.45Å; L880-L901 HydrophobicContact CD2-CD1 3.51Å; L880-L901 HydrophobicContact CD2-CD2 4.04Å; L880-L901 HydrophobicContact CD2-CG 4.36Å
881I50.7Low56Low117 Ų11786.5 Ų86.560%0.646%0.463SS*.Hα-helixtrans-61.6-38.7177.3-66.4167.8000110.7Q877 T885Q877-I881 WeakPolarHBondContact O-CG1 3.42Å; Q877-I881 PolarHBondContact O-N 3.13Å; I881-T885 WeakPolarHBondContact O-CG2 3.45Å; I881-T885 PolarHBondContact O-N 3.39Å; I881-T885 PolarHBondContact O-OG1 3.31Å
882F46.5Very low54.6Low95 Ų9588.9 Ų88.942%0.41748%0.479SS..Hα-helixtrans-73.5-33.6179.2-125-90.9000113.4L606 I879 L880 T885 S886L606-F882 HydrophobicContact CD2-CE1 4.42Å; I879-F882 PolarHBondContact O-N 2.85Å; L880-F882 VanDerWaalsContact C-N 3.28Å; L880-F882 PolarHBondContact O-N 3.44Å; F882-T885 PolarHBondContact O-OG1 3.41Å; F882-T885 VanDerWaalsContact O-OG1 3.07Å; F882-S886 PolarHBondContact O-OG 2.99Å
883F45Very low53.6Low146 Ų14691.6 Ų91.664%0.6449%0.489SS*.Hα-helixtrans-70.3-37.1179.8-139.5-92.1000111.5I879 L880I879-F883 PolarHBondContact O-N 3.39Å; L880-F883 PolarHBondContact O-N 3.01Å
884F47.7Very low52.6Low46 Ų4692.2 Ų92.220%0.20249%0.489CS..Hα-helixtrans-79.6-27.2179.5-86.1-79.6000114.2L880 S886 F894 I897 L901L880-F884 HydrophobicContact CD2-CD2 4.26Å; L880-F884 HydrophobicContact CD2-CE2 3.98Å; L880-F884 WeakPolarHBondContact O-CD2 3.33Å; L880-F884 PolarHBondContact O-N 3.45Å; F884-S886 PolarHBondContact O-N 2.91Å; F884-F894 HydrophobicContact CB-CE1 3.83Å; F884-F894 HydrophobicContact CB-CZ 4.28Å; F884-F894 HydrophobicContact CD1-CE1 4.11Å; F884-F894 HydrophobicContact CD1-CZ 4.4Å; F884-F894 HydrophobicContact CG-CE1 4.37Å; F884-F894 VanDerWaalsContact O-CZ 3.29Å; F884-F894 WeakPolarHBondContact O-CZ 3.49Å; F884-I897 HydrophobicContact CE1-CB 4.08Å; F884-I897 HydrophobicContact CE1-CD1 3.93Å; F884-I897 HydrophobicContact CE1-CG2 3.41Å; F884-I897 VanDerWaalsContact CE1-CG2 3.41Å; F884-I897 HydrophobicContact CE2-CG2 4.19Å; F884-I897 HydrophobicContact CZ-CB 4.3Å; F884-I897 HydrophobicContact CZ-CG2 3.17Å; F884-L901 HydrophobicContact CE2-CD1 3.63Å; F884-L901 HydrophobicContact CZ-CD1 3.94Å
885T48.9Very low51.6Low104 Ų10495.3 Ų95.364%0.63850%0.501SS*.THydrogen-bonded Turntrans-71.3-7.8174.450.30000114.1I881 F882I881-T885 WeakPolarHBondContact O-CG2 3.45Å; I881-T885 PolarHBondContact O-N 3.39Å; I881-T885 PolarHBondContact O-OG1 3.31Å; F882-T885 PolarHBondContact O-OG1 3.41Å; F882-T885 VanDerWaalsContact O-OG1 3.07Å
886S46.4Very low51Low88 Ų8897.9 Ų97.962%0.61552%0.518SS*.THydrogen-bonded Turntrans-106.72.5-171.2-49.60000114.4F882 F884F882-S886 PolarHBondContact O-OG 2.99Å; F884-S886 PolarHBondContact O-N 2.91Å
887L47.4Very low50.5Low87 Ų8797.3 Ų97.346%0.45551%0.514SS..SBendtrans-115.4129.9179.3-83.7154.7000110.5L889L887-L889 HydrophobicContact CB-CD1 4.45Å; L887-L889 PolarHBondContact O-N 3.37Å
888P48.8Very low50.2Low128 Ų12896.3 Ų96.383%0.83151%0.512SS*.  trans-82.385.4176.133.7-29.3000108.5
889L56.3Low50.2Low79 Ų7996.8 Ų96.841%0.41452%0.515SS..  trans-117.5139.8172.3-79.9162.2000110.2L887L887-L889 HydrophobicContact CB-CD1 4.45Å; L887-L889 PolarHBondContact O-N 3.37Å
890P52.6Low50.3Low82 Ų8294.9 Ų94.953%0.53251%0.512SS..  trans-62.9145.4-178.622.8-29.7000111.4S892 H893P890-S892 PolarHBondContact O-N 2.99Å; P890-H893 PolarHBondContact O-N 3.41Å
891K53.2Low50.5Low197 Ų19794.2 Ų94.286%0.85751%0.508SS*.Hα-helixtrans-52.9-20.6-170.5-71.4-179.4176.6177.50115
892S48Very low50.4Low85 Ų8595.9 Ų95.959%0.59451%0.511SS*.Hα-helixtrans-70.7-25.4176.649.80000114.3P890P890-S892 PolarHBondContact O-N 2.99Å
893H51.9Low50.6Low94 Ų9495 Ų9544%0.43551%0.514SS..Hα-helixtrans-85.5-17.6177.9-79.8-61.6000114P890 L895 V896 I897P890-H893 PolarHBondContact O-N 3.41Å; H893-L895 VanDerWaalsContact C-N 3.32Å; H893-L895 PolarHBondContact O-N 3.23Å; H893-V896 PolarHBondContact O-N 3.22Å; H893-I897 HydrophobicContact CB-CD1 4.5Å; H893-I897 VanDerWaalsContact O-CG1 3.28Å; H893-I897 WeakPolarHBondContact O-CG1 3.45Å; H893-I897 PolarHBondContact O-N 3.48Å; H893-I897 VanDerWaalsContact O-N 3.08Å
894F52.2Low50.6Low71 Ų7193.3 Ų93.331%0.31151%0.511SS..Hα-helixtrans-66.5-31.8177-96.7-96.4000113.3F884 N898F884-F894 HydrophobicContact CB-CE1 3.83Å; F884-F894 HydrophobicContact CB-CZ 4.28Å; F884-F894 HydrophobicContact CD1-CE1 4.11Å; F884-F894 HydrophobicContact CD1-CZ 4.4Å; F884-F894 HydrophobicContact CG-CE1 4.37Å; F884-F894 VanDerWaalsContact O-CZ 3.29Å; F884-F894 WeakPolarHBondContact O-CZ 3.49Å; F894-N898 WeakPolarHBondContact O-CB 3.25Å; F894-N898 PolarHBondContact O-N 2.99Å; F894-N898 PolarHBondContact O-ND2 3.02Å
895L49.8Very low50.6Low124 Ų12494 Ų9465%0.64952%0.522SS*.Hα-helixtrans-73.7-41.3178-161.872.4000111H893 I899H893-L895 VanDerWaalsContact C-N 3.32Å; H893-L895 PolarHBondContact O-N 3.23Å; L895-I899 HydrophobicContact CG-CD1 4.15Å; L895-I899 WeakPolarHBondContact O-CB 3.25Å; L895-I899 WeakPolarHBondContact O-CD1 3.33Å; L895-I899 WeakPolarHBondContact O-CG1 3.47Å; L895-I899 PolarHBondContact O-N 2.6Å
896V52.7Low50.3Low89 Ų8993 Ų9354%0.53951%0.512SS..Hα-helixtrans-68.1-38.8179.8-1790000111.4H893 I899 A900H893-V896 PolarHBondContact O-N 3.22Å; V896-I899 PolarHBondContact O-N 3.47Å; V896-A900 WeakPolarHBondContact O-CB 3.24Å; V896-A900 PolarHBondContact O-N 3.17Å
897I55.3Low50.1Low51 Ų5193 Ų9326%0.26251%0.511SS..Hα-helixtrans-76-34.5179.9-60.6166.9000112F884 H893 A900 L901F884-I897 HydrophobicContact CE1-CB 4.08Å; F884-I897 HydrophobicContact CE1-CD1 3.93Å; F884-I897 HydrophobicContact CE1-CG2 3.41Å; F884-I897 VanDerWaalsContact CE1-CG2 3.41Å; F884-I897 HydrophobicContact CE2-CG2 4.19Å; F884-I897 HydrophobicContact CZ-CB 4.3Å; F884-I897 HydrophobicContact CZ-CG2 3.17Å; H893-I897 HydrophobicContact CB-CD1 4.5Å; H893-I897 VanDerWaalsContact O-CG1 3.28Å; H893-I897 WeakPolarHBondContact O-CG1 3.45Å; H893-I897 PolarHBondContact O-N 3.48Å; H893-I897 VanDerWaalsContact O-N 3.08Å; I897-A900 PolarHBondContact O-N 2.91Å; I897-L901 HydrophobicContact CG2-CD1 3.81Å; I897-L901 HydrophobicContact CG2-CG 4.46Å; I897-L901 WeakPolarHBondContact O-CB 3.37Å; I897-L901 WeakPolarHBondContact O-CG 3.43Å; I897-L901 PolarHBondContact O-N 2.75Å
898N50.3Low50Low94 Ų9493 Ų9350%0.50351%0.514SS..Hα-helixtrans-65.3-39.6171-87.9-63.2000112F894 F902F894-N898 WeakPolarHBondContact O-CB 3.25Å; F894-N898 PolarHBondContact O-N 2.99Å; F894-N898 PolarHBondContact O-ND2 3.02Å; N898-F902 VanDerWaalsContact O-CB 3.24Å; N898-F902 WeakPolarHBondContact O-CB 3.43Å; N898-F902 PolarHBondContact O-N 2.94Å
899I53.8Low49.7Very low100 Ų10092.6 Ų92.651%0.51350%0.5SS..Hα-helixtrans-66.2-38.9174.5-67.5166.1000110.8L895 V896 F902 T903L895-I899 HydrophobicContact CG-CD1 4.15Å; L895-I899 WeakPolarHBondContact O-CB 3.25Å; L895-I899 WeakPolarHBondContact O-CD1 3.33Å; L895-I899 WeakPolarHBondContact O-CG1 3.47Å; L895-I899 PolarHBondContact O-N 2.6Å; V896-I899 PolarHBondContact O-N 3.47Å; I899-F902 PolarHBondContact O-N 3.35Å; I899-T903 WeakPolarHBondContact O-CB 3.31Å; I899-T903 PolarHBondContact O-N 3.21Å; I899-T903 PolarHBondContact O-OG1 3.32Å
900A51.3Low48.8Very low42 Ų4293.1 Ų93.135%0.34751%0.51SS..Hα-helixtrans-67.8-38.8176.800000113.3V896 I897 T903 L904V896-A900 WeakPolarHBondContact O-CB 3.24Å; V896-A900 PolarHBondContact O-N 3.17Å; I897-A900 PolarHBondContact O-N 2.91Å; A900-T903 VanDerWaalsContact CA-OG1 3.26Å; A900-T903 WeakPolarHBondContact CA-OG1 3.34Å; A900-T903 PolarHBondContact O-N 3.41Å; A900-T903 PolarHBondContact O-OG1 3.31Å; A900-T903 VanDerWaalsContact O-OG1 3.09Å; A900-L904 WeakPolarHBondContact O-CB 3.45Å; A900-L904 WeakPolarHBondContact O-CG 3.14Å; A900-L904 PolarHBondContact O-N 3.23Å
901L51.7Low48Very low60 Ų6099 Ų9931%0.31452%0.523SS..Hα-helixtrans-72.6-35175.2-79.1159.1000112.2L880 F884 I897 S905L880-L901 HydrophobicContact CD2-CD1 3.51Å; L880-L901 HydrophobicContact CD2-CD2 4.04Å; L880-L901 HydrophobicContact CD2-CG 4.36Å; F884-L901 HydrophobicContact CE2-CD1 3.63Å; F884-L901 HydrophobicContact CZ-CD1 3.94Å; I897-L901 HydrophobicContact CG2-CD1 3.81Å; I897-L901 HydrophobicContact CG2-CG 4.46Å; I897-L901 WeakPolarHBondContact O-CB 3.37Å; I897-L901 WeakPolarHBondContact O-CG 3.43Å; I897-L901 PolarHBondContact O-N 2.75Å; L901-S905 VanDerWaalsContact O-CB 3.27Å; L901-S905 WeakPolarHBondContact O-CB 3.25Å; L901-S905 PolarHBondContact O-N 2.75Å
902F49.3Very low47.1Very low152 Ų15296.5 Ų96.567%0.66752%0.519SS*.Hα-helixtrans-68-35.8173.2-159.5-96.3000111.7N898 I899 N906N898-F902 VanDerWaalsContact O-CB 3.24Å; N898-F902 WeakPolarHBondContact O-CB 3.43Å; N898-F902 PolarHBondContact O-N 2.94Å; I899-F902 PolarHBondContact O-N 3.35Å; F902-N906 WeakPolarHBondContact CD1-ND2 3.39Å; F902-N906 WeakPolarHBondContact CE1-ND2 3.48Å; F902-N906 WeakPolarHBondContact O-CB 3.25Å; F902-N906 PolarHBondContact O-N 3.22Å; F902-N906 PolarHBondContact O-ND2 2.94Å
903T49.5Very low46.4Very low77 Ų77100.4 Ų100.447%0.47253%0.525SS..Hα-helixtrans-76-38.1174.136.90000112.9I899 A900 N906 C907I899-T903 WeakPolarHBondContact O-CB 3.31Å; I899-T903 PolarHBondContact O-N 3.21Å; I899-T903 PolarHBondContact O-OG1 3.32Å; A900-T903 VanDerWaalsContact CA-OG1 3.26Å; A900-T903 WeakPolarHBondContact CA-OG1 3.34Å; A900-T903 PolarHBondContact O-N 3.41Å; A900-T903 PolarHBondContact O-OG1 3.31Å; A900-T903 VanDerWaalsContact O-OG1 3.09Å; T903-N906 PolarHBondContact O-N 3.44Å; T903-C907 WeakPolarHBondContact O-CB 3.47Å; T903-C907 PolarHBondContact O-N 3.32Å
904L46.3Very low45.4Very low110 Ų110108.2 Ų108.258%0.57656%0.558SS**Hα-helixtrans-65-39.5172.4-85.7157.2000112.6A900 N906 C907 V908A900-L904 WeakPolarHBondContact O-CB 3.45Å; A900-L904 WeakPolarHBondContact O-CG 3.14Å; A900-L904 PolarHBondContact O-N 3.23Å; L904-N906 VanDerWaalsContact C-N 3.29Å; L904-N906 PolarHBondContact O-N 3.19Å; L904-C907 PolarHBondContact O-N 3.46Å; L904-V908 WeakPolarHBondContact O-CG2 3.48Å; L904-V908 PolarHBondContact O-N 3.04Å
905S46.7Very low45Very low61 Ų61110.1 Ų110.143%0.42757%0.571SS.*Hα-helixtrans-64.7-33173.7-166.40000112.2L901 F909L901-S905 VanDerWaalsContact O-CB 3.27Å; L901-S905 WeakPolarHBondContact O-CB 3.25Å; L901-S905 PolarHBondContact O-N 2.75Å; S905-F909 PolarHBondContact O-N 3.09Å
906N43.6Very low44.8Very low82 Ų82109.4 Ų109.444%0.43957%0.566SS.*Hα-helixtrans-79.3-30.6174.9-79.8-50000113F902 T903 L904 F909 S910F902-N906 WeakPolarHBondContact CD1-ND2 3.39Å; F902-N906 WeakPolarHBondContact CE1-ND2 3.48Å; F902-N906 WeakPolarHBondContact O-CB 3.25Å; F902-N906 PolarHBondContact O-N 3.22Å; F902-N906 PolarHBondContact O-ND2 2.94Å; T903-N906 PolarHBondContact O-N 3.44Å; L904-N906 VanDerWaalsContact C-N 3.29Å; L904-N906 PolarHBondContact O-N 3.19Å; N906-F909 VanDerWaalsContact O-CB 3.26Å; N906-F909 WeakPolarHBondContact O-CB 3.32Å; N906-F909 PolarHBondContact O-N 3.13Å; N906-S910 PolarHBondContact O-N 2.92Å
907C40.9Very low44.3Very low87 Ų87110.5 Ų110.559%0.58857%0.568SS**Hα-helixtrans-69.6-38.5173.3-90.20000112.5T903 L904 F909 S910 Y911T903-C907 WeakPolarHBondContact O-CB 3.47Å; T903-C907 PolarHBondContact O-N 3.32Å; L904-C907 PolarHBondContact O-N 3.46Å; C907-F909 PolarHBondContact O-N 3.36Å; C907-S910 PolarHBondContact O-N 3.45Å; C907-S910 VanDerWaalsContact O-N 3.14Å; C907-Y911 PolarHBondContact O-N 3.14Å
908V45Very low43.7Very low87 Ų87114 Ų11453%0.52759%0.586SS.*Hα-helixtrans-65.8-30172.8175.40000111.4L904 S910 Y911 N912L904-V908 WeakPolarHBondContact O-CG2 3.48Å; L904-V908 PolarHBondContact O-N 3.04Å; V908-S910 VanDerWaalsContact C-N 3.27Å; V908-S910 PolarHBondContact O-N 3.38Å; V908-Y911 PolarHBondContact O-N 3.03Å; V908-N912 PolarHBondContact O-N 2.87Å
909F42.5Very low43.3Very low120 Ų120115.3 Ų115.353%0.52659%0.591SS.*Hα-helixtrans-64.9-27.8173.1-159-98.3000113S905 N906 C907S905-F909 PolarHBondContact O-N 3.09Å; N906-F909 VanDerWaalsContact O-CB 3.26Å; N906-F909 WeakPolarHBondContact O-CB 3.32Å; N906-F909 PolarHBondContact O-N 3.13Å; C907-F909 PolarHBondContact O-N 3.36Å
910S38.6Very low42.6Very low91 Ų91116.3 Ų116.364%0.63660%0.596SS**Hα-helixtrans-88.6-21.3178.6-1600000113.9N906 C907 V908N906-S910 PolarHBondContact O-N 2.92Å; C907-S910 PolarHBondContact O-N 3.45Å; C907-S910 VanDerWaalsContact O-N 3.14Å; V908-S910 VanDerWaalsContact C-N 3.27Å; V908-S910 PolarHBondContact O-N 3.38Å
911Y35.7Very low42Very low206 Ų206121.6 Ų121.681%0.80861%0.614SS**Hα-helixtrans-89.7-27.2-178.2-133-89.6000113.6C907 V908 K913C907-Y911 PolarHBondContact O-N 3.14Å; V908-Y911 PolarHBondContact O-N 3.03Å; Y911-K913 VanDerWaalsContact C-N 3.31Å
912N33.8Very low41.2Very low144 Ų144126.3 Ų126.377%0.7764%0.637SS**THydrogen-bonded Turntrans-88.16.2175.2-88.3-42.2000114.1V908V908-N912 PolarHBondContact O-N 2.87Å
913K33.8Very low40.5Very low166 Ų166124.2 Ų124.272%0.72264%0.635SS**THydrogen-bonded Turntrans-99.86.2177-127-178.8-176.8-177.60113.1Y911Y911-K913 VanDerWaalsContact C-N 3.31Å
914K30Very low39.7Very low259 Ų259128.5 Ų128.5100%1.12665%0.65SS**  trans-104.90169.9-92.2-171.7175.5-178.60110.5

Retrieved 914 of 914 residues in 159.8 ms (Link to these results)

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