A0A087XVZ8_POEFO Loading...

GIT ArfGAP 1

AlphaFold DB , UniProt , Accession A0A087XVZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 774 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
1M33.2Very low56.1Low250 Ų250145.3 Ų145.3100%1.23270%0.697SS**  0145.10-57.4169.2-175.900107.5
2S33.4Very low59.5Low111 Ų111134 Ų13478%0.77665%0.646SS**  cis-132.3139.4-10.8-174.30000108.4K4S2-K4 PolarHBondContact O-N 3.44Å
3R34.9Very low62.5Low236 Ų236123.7 Ų123.789%0.89160%0.596SS**  trans-7597.6173.9-72-177.6-179.1167.80.2108L5R3-L5 PolarHBondContact O-N 3.06Å; R3-L5 VanDerWaalsContact O-N 3.12Å
4K39Very low64.9Low194 Ų194114.9 Ų114.984%0.84355%0.554SS**  trans-53.1119.7159.8-78.9-174.5175-177.50106.7S2 H6S2-K4 PolarHBondContact O-N 3.44Å; K4-H6 PolarHBondContact O-N 3.12Å; K4-H6 VanDerWaalsContact O-N 3.1Å
5L35.8Very low67Low160 Ų160111 Ų11184%0.83854%0.543SS*.  trans-54.1121167.5-98.466.6000106.9R3 R7R3-L5 PolarHBondContact O-N 3.06Å; R3-L5 VanDerWaalsContact O-N 3.12Å; L5-R7 VanDerWaalsContact C-N 3.32Å; L5-R7 PolarHBondContact O-N 3.33Å
6H42.8Very low68.8Low177 Ų177104.9 Ų104.982%0.81952%0.516SS*.  trans-63.5104.9159.4-94.851.3000105.9K4 T8K4-H6 PolarHBondContact O-N 3.12Å; K4-H6 VanDerWaalsContact O-N 3.1Å; H6-T8 VanDerWaalsContact C-N 3.35Å; H6-T8 PolarHBondContact O-N 3.08Å
7R55.1Low70.3Confident205 Ų205104.6 Ų104.677%0.77452%0.524SS*.  trans-61.8103.8166.1-172.4-177.4-166.5-177.55.5104.9L5 E9L5-R7 VanDerWaalsContact C-N 3.32Å; L5-R7 PolarHBondContact O-N 3.33Å; R7-E9 PolarHBondContact O-N 3.36Å; R7-E9 VanDerWaalsContact O-N 3.08Å
8T65.2Low71.5Confident113 Ų113104.6 Ų104.669%0.69353%0.526SS*.  trans-52.9118.4-174.244.60000109.1H6 V10H6-T8 VanDerWaalsContact C-N 3.35Å; H6-T8 PolarHBondContact O-N 3.08Å; T8-V10 PolarHBondContact O-N 2.96Å
9E85.9Confident72.8Confident85 Ų8599.3 Ų99.340%0.39750%0.499SS..  trans-65.8131.9-178.9-64.4-171.8141.100108.9R7 D18 P19 L29R7-E9 PolarHBondContact O-N 3.36Å; R7-E9 VanDerWaalsContact O-N 3.08Å; E9-D18 PolarHBondContact O-N 2.92Å; E9-P19 HydrophobicContact CB-CG 4.38Å; E9-P19 VanDerWaalsContact O-CD 3.22Å; E9-P19 WeakPolarHBondContact O-CD 3.24Å; E9-L29 HydrophobicContact CB-CD1 4.04Å; E9-L29 VanDerWaalsContact CD-CD1 3.41Å; E9-L29 HydrophobicContact CG-CD1 4.14Å; E9-L29 WeakPolarHBondContact OE2-CD1 3.37Å
10V94.9Very high73.9Confident67 Ų6794.5 Ų94.541%0.40648%0.476SS..BIsolated β-bridgetrans-127.8149.8-176.6-710000109.3T8 A12 A16T8-V10 PolarHBondContact O-N 2.96Å; V10-A12 PolarHBondContact O-N 3.28Å; V10-A16 CarbonylContact C-O 3.56Å; V10-A16 VanDerWaalsContact CA-O 3.27Å; V10-A16 WeakPolarHBondContact CA-O 3.48Å
11C97.2Very high75Confident0 Ų090 Ų900%045%0.453CS..  trans-52.5122171.5175.40000110.3D13 C14 S15 A16 L29 C31C11-D13 PolarHBondContact O-N 2.72Å; C11-C14 VanDerWaalsContact SG-SG 3.68Å; C11-S15 VanDerWaalsContact O-CA 3.23Å; C11-S15 WeakPolarHBondContact O-CA 3.37Å; C11-S15 PolarHBondContact O-N 3.36Å; C11-A16 HydrophobicContact CB-CB 4.07Å; C11-A16 PolarHBondContact N-O 3.02Å; C11-L29 WeakPolarHBondContact CA-O 3.38Å; C11-C31 HydrophobicContact CB-CB 3.93Å; C11-C31 PolarHBondContact SG-N 2.88Å; C11-C31 VanDerWaalsContact SG-N 3.35Å
12A97.1Very high78.1Confident10 Ų1078 Ų788%0.08340%0.395CS..THydrogen-bonded Turntrans-63.6-14.9-176.300000113.7V10 V28 L29 N73 E77 K92 K110V10-A12 PolarHBondContact O-N 3.28Å; A12-V28 HydrophobicContact CB-CB 3.61Å; A12-V28 HydrophobicContact CB-CG1 3.89Å; A12-V28 HydrophobicContact CB-CG2 4.24Å; A12-L29 WeakPolarHBondContact CB-O 3.33Å; A12-L29 PolarHBondContact N-O 3.46Å; A12-N73 PolarHBondContact O-OD1 2.75Å; A12-E77 VanDerWaalsContact O-OE1 3.13Å; A12-K92 WeakPolarHBondContact O-CE 3.32Å; A12-K92 PolarHBondContact O-NZ 2.87Å; A12-K110 PolarHBondContact O-NZ 3Å
13D97.5Very high81.2Confident0 Ų072.8 Ų72.80%036%0.358CS..THydrogen-bonded Turntrans-108.1-35.7-174.4-51.6-49.2000114.1C11 I30 C34 H38 K92 P93 F106 I107 K110 Y111C11-D13 PolarHBondContact O-N 2.72Å; D13-I30 WeakPolarHBondContact OD2-CG2 3.41Å; D13-C34 HydrophobicContact CB-CB 4.42Å; D13-H38 IonicContact OD2-NE2 2.74Å; D13-H38 PolarHBondContact OD2-NE2 3.15Å; D13-K92 VanDerWaalsContact C-CE 3.5Å; D13-K92 VanDerWaalsContact O-CE 3.24Å; D13-K92 WeakPolarHBondContact O-CE 3.26Å; D13-K92 VanDerWaalsContact O-CG 3.24Å; D13-K92 WeakPolarHBondContact O-CG 3.32Å; D13-P93 WeakPolarHBondContact O-CD 3.46Å; D13-P93 WeakPolarHBondContact O-CG 3.38Å; D13-F106 HydrophobicContact CB-CD1 4.43Å; D13-F106 HydrophobicContact CB-CE1 4.37Å; D13-F106 WeakPolarHBondContact O-CE1 3.44Å; D13-I107 HydrophobicContact CB-CD1 4.2Å; D13-I107 HydrophobicContact CB-CG1 3.9Å; D13-K110 WeakPolarHBondContact OD1-CD 3.46Å; D13-K110 WeakPolarHBondContact OD1-CE 3.5Å; D13-K110 IonicContact OD1-NZ 2.74Å; D13-K110 PolarHBondContact OD1-NZ 2.68Å; D13-Y111 WeakPolarHBondContact OD1-CE2 3.35Å; D13-Y111 VanDerWaalsContact OD1-CZ 3.3Å; D13-Y111 PolarHBondContact OD1-OH 2.72Å
14C96.4Very high84.2Confident0 Ų062 Ų620%032%0.318CS..THydrogen-bonded Turntrans-124.87.2178.769.70000115.1C11 A16 P93 N94 P95 K103C11-C14 VanDerWaalsContact SG-SG 3.68Å; C14-A16 PolarHBondContact O-N 2.88Å; C14-A16 VanDerWaalsContact O-N 3.12Å; C14-P93 CarbonylContact C-O 3.6Å; C14-P93 VanDerWaalsContact CA-O 3.29Å; C14-P93 WeakPolarHBondContact CA-O 3.21Å; C14-P93 HydrophobicContact CB-CB 4.49Å; C14-P93 HydrophobicContact CB-CG 4.11Å; C14-N94 CarbonylContact O-C 3.49Å; C14-P95 WeakPolarHBondContact O-CD 3.39Å; C14-P95 WeakPolarHBondContact O-CG 3.34Å; C14-P95 VanDerWaalsContact O-N 3.15Å; C14-K103 HydrophobicContact CB-CD 4.25Å; C14-K103 HydrophobicContact CB-CG 4.36Å
15S95.9Very high87Confident57 Ų5753.5 Ų53.540%0.39928%0.281SS..  trans61.614.6178.6-420000115.7C11C11-S15 VanDerWaalsContact O-CA 3.23Å; C11-S15 WeakPolarHBondContact O-CA 3.37Å; C11-S15 PolarHBondContact O-N 3.36Å
16A96.1Very high90Very high13 Ų1346.9 Ų46.911%0.10725%0.245CC..  trans-62142.1173.800000111.8V10 C11 C14 C31 P95V10-A16 CarbonylContact C-O 3.56Å; V10-A16 VanDerWaalsContact CA-O 3.27Å; V10-A16 WeakPolarHBondContact CA-O 3.48Å; C11-A16 HydrophobicContact CB-CB 4.07Å; C11-A16 PolarHBondContact N-O 3.02Å; C14-A16 PolarHBondContact O-N 2.88Å; C14-A16 VanDerWaalsContact O-N 3.12Å; A16-C31 HydrophobicContact CB-CB 4.25Å; A16-P95 HydrophobicContact CB-CB 3.92Å; A16-P95 HydrophobicContact CB-CG 4.35Å
17P95.4Very high92.6Very high100 Ų10038.5 Ų38.565%0.64921%0.206SC*.BIsolated β-bridgetrans-71.3161.5179.331.5-36.3000112.9
18D91.7Very high94.6Very high105 Ų10528.8 Ų28.856%0.56117%0.17SC*.SBendtrans48.659.9173.6-168.632.6000114.6E9 G20 R52E9-D18 PolarHBondContact O-N 2.92Å; D18-G20 PolarHBondContact O-N 3.26Å; D18-R52 IonicContact OD1-CZ 3.53Å; D18-R52 IonicContact OD1-NH1 3.67Å; D18-R52 PolarHBondContact OD1-NH1 2.91Å; D18-R52 IonicContact OD1-NH2 3.53Å; D18-R52 PolarHBondContact OD1-NH2 2.92Å; D18-R52 IonicContact OD2-CZ 3.32Å; D18-R52 IonicContact OD2-NH1 2.79Å; D18-R52 IonicContact OD2-NH2 3.56Å; D18-R52 PolarHBondContact OD2-NH2 3.34Å
19P95.7Very high96.2Very high3 Ų323.8 Ų23.82%0.01914%0.139CC..  trans-58.6124178.425-34.1000111.7E9 L29 I30 L51E9-P19 HydrophobicContact CB-CG 4.38Å; E9-P19 VanDerWaalsContact O-CD 3.22Å; E9-P19 WeakPolarHBondContact O-CD 3.24Å; P19-L29 HydrophobicContact CB-CB 3.96Å; P19-L29 HydrophobicContact CG-CB 3.62Å; P19-L29 HydrophobicContact CG-CD1 4.34Å; P19-I30 VanDerWaalsContact CB-O 3.32Å; P19-I30 WeakPolarHBondContact CB-O 3.43Å; P19-L51 VanDerWaalsContact O-CD1 3.26Å; P19-L51 WeakPolarHBondContact O-CD1 3.33Å
20G94.8Very high96.7Very high3 Ų319.7 Ų19.73%0.03112%0.12CC..  trans-76.4-20.2178.700000115.1D18 I30 H50 L51D18-G20 PolarHBondContact O-N 3.26Å; G20-I30 PolarHBondContact N-O 3.32Å; G20-H50 PolarHBondContact O-CE1 2.74Å; G20-H50 PolarHBondContact O-ND1 2.88Å; G20-L51 WeakPolarHBondContact O-CB 3.26Å; G20-L51 WeakPolarHBondContact O-CG 3.44Å; G20-L51 PolarHBondContact O-N 3.19Å
21W97.6Very high96.8Very high0 Ų017.1 Ų17.10%010%0.104CC..EExtended strand (participates in β ladder)trans-125.6165.6-168.1-60.678.6000112.3L29 I30 D32 C35 H50 V295 W296W21-L29 CarbonylContact O-C 3.49Å; W21-L29 WeakPolarHBondContact O-CA 3.44Å; W21-I30 HydrophobicContact CB-CG1 3.82Å; W21-I30 PolarHBondContact N-O 3.28Å; W21-I30 PolarHBondContact O-N 2.95Å; W21-D32 PolarHBondContact NE1-OD1 2.91Å; W21-C35 HydrophobicContact CB-CB 4.12Å; W21-C35 HydrophobicContact CD2-CB 4.09Å; W21-C35 HydrophobicContact CG-CB 3.8Å; W21-H50 HydrophobicContact CD2-CB 3.96Å; W21-H50 AromaticContact CE2-CD2 3.48Å; W21-H50 VanDerWaalsContact CE2-CD2 3.48Å; W21-H50 HydrophobicContact CE3-CB 3.75Å; W21-H50 HydrophobicContact CH2-CB 4.09Å; W21-H50 HydrophobicContact CZ2-CB 4.27Å; W21-H50 AromaticContact CZ2-CD2 3.56Å; W21-H50 HydrophobicContact CZ3-CB 3.83Å; W21-H50 AromaticContact NE1-CD2 3.74Å; W21-V295 HydrophobicContact CH2-CB 4.2Å; W21-V295 HydrophobicContact CH2-CG1 3.72Å; W21-V295 HydrophobicContact CZ2-CG1 4.12Å; W21-V295 HydrophobicContact CZ3-CG1 4.44Å; W21-W296 HydrophobicContact CH2-CE3 4.29Å; W21-W296 AromaticContact CZ2-CE3 3.74Å; W21-W296 HydrophobicContact CZ2-CE3 3.74Å; W21-W296 HydrophobicContact CZ2-CZ3 4.32Å
22A98.4Very high96.6Very high0 Ų019.2 Ų19.20%012%0.116CC..EExtended strand (participates in β ladder)trans-129.2151.7169.600000111.9V28 L29 V48 K49 L51 W56 V64A22-V28 WeakPolarHBondContact CA-O 3.37Å; A22-L29 HydrophobicContact CB-CD2 3.91Å; A22-V48 WeakPolarHBondContact O-CA 3.38Å; A22-K49 PolarHBondContact N-O 3.08Å; A22-K49 PolarHBondContact O-N 3.31Å; A22-L51 HydrophobicContact CB-CD2 3.98Å; A22-W56 HydrophobicContact CB-CH2 4.02Å; A22-W56 HydrophobicContact CB-CZ2 4.34Å; A22-V64 HydrophobicContact CB-CG1 3.91Å
23S98.4Very high96.4Very high0 Ų022.4 Ų22.40%013%0.129CC..EExtended strand (participates in β ladder)trans-103.3104.4161.7-177.30000107.9R26 G27 V28 S46 I47S23-R26 PolarHBondContact O-N 3.37Å; S23-R26 WeakPolarHBondContact OG-CG 3.46Å; S23-G27 PolarHBondContact O-N 2.79Å; S23-V28 PolarHBondContact N-O 3.13Å; S23-V28 PolarHBondContact O-N 2.84Å; S23-S46 WeakPolarHBondContact CB-OG 3.32Å; S23-S46 PolarHBondContact OG-OG 3.1Å; S23-I47 CarbonylContact C-O 3.56Å; S23-I47 WeakPolarHBondContact CA-O 3.13Å
24I98.3Very high96.4Very high10 Ų1022.4 Ų22.45%0.05113%0.129CC..THydrogen-bonded Turntrans-65.1-52.4-165.8-57.5-178.9000110.9R26 G27 I47 K49 W56 L60 M63 V64 V188I24-R26 PolarHBondContact O-N 2.97Å; I24-G27 PolarHBondContact O-N 2.92Å; I24-G27 VanDerWaalsContact O-N 3.17Å; I24-I47 HydrophobicContact CB-CB 4.39Å; I24-I47 HydrophobicContact CB-CG2 4.38Å; I24-I47 HydrophobicContact CD1-CG2 4.1Å; I24-I47 HydrophobicContact CG1-CG2 4.44Å; I24-I47 PolarHBondContact N-O 3.01Å; I24-K49 HydrophobicContact CD1-CB 3.9Å; I24-K49 HydrophobicContact CD1-CD 3.88Å; I24-K49 HydrophobicContact CG1-CB 4.36Å; I24-W56 HydrophobicContact CD1-CH2 4.04Å; I24-W56 HydrophobicContact CD1-CZ3 4.05Å; I24-W56 HydrophobicContact CG1-CH2 3.93Å; I24-W56 HydrophobicContact CG1-CZ3 4.19Å; I24-L60 HydrophobicContact CD1-CD2 4.41Å; I24-L60 HydrophobicContact CG2-CD1 4.02Å; I24-M63 HydrophobicContact CG2-CE 4.21Å; I24-V64 HydrophobicContact CB-CG2 4.29Å; I24-V64 HydrophobicContact CG1-CG2 4.47Å; I24-V64 HydrophobicContact CG2-CG2 3.83Å; I24-V188 HydrophobicContact CG2-CG1 4.03Å; I24-V188 HydrophobicContact CG2-CG2 3.79Å
25N97.1Very high96.4Very high15 Ų1522.4 Ų22.48%0.0813%0.129CC..THydrogen-bonded Turntrans-67-21179.265.1-44.1000113.2I45 S46 I47 V188 Y189N25-I45 PolarHBondContact ND2-O 2.98Å; N25-I45 VanDerWaalsContact ND2-O 3.1Å; N25-S46 WeakPolarHBondContact OD1-CA 3.49Å; N25-I47 HydrophobicContact CB-CD1 4.27Å; N25-I47 HydrophobicContact CB-CG1 4.5Å; N25-I47 PolarHBondContact OD1-N 2.97Å; N25-V188 HydrophobicContact CB-CG1 3.8Å; N25-Y189 HydrophobicContact CB-CE2 4.34Å; N25-Y189 WeakPolarHBondContact O-CE2 3.35Å; N25-Y189 PolarHBondContact O-OH 2.9Å; N25-Y189 VanDerWaalsContact O-OH 3.05Å
26R97.8Very high96.3Very high22 Ų2220.2 Ų20.28%0.08311%0.114CC..THydrogen-bonded Turntrans-91.9-11.1176-57.8-57.7178.8151.12.8113.3S23 I24 V28 I45 W76 Y111S23-R26 PolarHBondContact O-N 3.37Å; S23-R26 WeakPolarHBondContact OG-CG 3.46Å; I24-R26 PolarHBondContact O-N 2.97Å; R26-V28 HydrophobicContact CB-CG2 3.79Å; R26-I45 PolarHBondContact NE-O 3.28Å; R26-I45 PolarHBondContact NH2-O 2.65Å; R26-W76 HydrophobicContact CB-CZ2 4.4Å; R26-W76 PolarHBondContact O-NE1 3.06Å; R26-Y111 HydrophobicContact CB-CD1 4.46Å; R26-Y111 HydrophobicContact CB-CE1 4.06Å; R26-Y111 HydrophobicContact CG-CD1 3.83Å; R26-Y111 HydrophobicContact CG-CE1 3.93Å; R26-Y111 PolarHBondContact NH2-O 3.2Å
27G97.4Very high96.3Very high0 Ų019.9 Ų19.90%011%0.11CC..THydrogen-bonded Turntrans66.234.9179.100000113.6S23 I24 L67 A68S23-G27 PolarHBondContact O-N 2.79Å; I24-G27 PolarHBondContact O-N 2.92Å; I24-G27 VanDerWaalsContact O-N 3.17Å; G27-L67 CarbonylContact O-C 3.44Å; G27-A68 WeakPolarHBondContact O-CA 3.16Å; G27-A68 PolarHBondContact O-N 3.39Å
28V97.8Very high96.4Very high2 Ų215.1 Ų15.11%0.0128%0.079CC..EExtended strand (participates in β ladder)trans-136152.3-172.7-66.80000113.1A12 A22 S23 R26 I30 N73A12-V28 HydrophobicContact CB-CB 3.61Å; A12-V28 HydrophobicContact CB-CG1 3.89Å; A12-V28 HydrophobicContact CB-CG2 4.24Å; A22-V28 WeakPolarHBondContact CA-O 3.37Å; S23-V28 PolarHBondContact N-O 3.13Å; S23-V28 PolarHBondContact O-N 2.84Å; R26-V28 HydrophobicContact CB-CG2 3.79Å; V28-I30 HydrophobicContact CG2-CG2 4.37Å; V28-N73 HydrophobicContact CG1-CB 4.02Å
29L98.1Very high96.6Very high7 Ų711 Ų114%0.0376%0.056CC..EExtended strand (participates in β ladder)trans-101.2139.2175.8-50.5179.7000109.7E9 C11 A12 P19 W21 A22 L51 V64 A68E9-L29 HydrophobicContact CB-CD1 4.04Å; E9-L29 VanDerWaalsContact CD-CD1 3.41Å; E9-L29 HydrophobicContact CG-CD1 4.14Å; E9-L29 WeakPolarHBondContact OE2-CD1 3.37Å; C11-L29 WeakPolarHBondContact CA-O 3.38Å; A12-L29 WeakPolarHBondContact CB-O 3.33Å; A12-L29 PolarHBondContact N-O 3.46Å; P19-L29 HydrophobicContact CB-CB 3.96Å; P19-L29 HydrophobicContact CG-CB 3.62Å; P19-L29 HydrophobicContact CG-CD1 4.34Å; W21-L29 CarbonylContact O-C 3.49Å; W21-L29 WeakPolarHBondContact O-CA 3.44Å; A22-L29 HydrophobicContact CB-CD2 3.91Å; L29-L51 HydrophobicContact CD2-CD1 4.19Å; L29-L51 HydrophobicContact CD2-CD2 4.09Å; L29-V64 HydrophobicContact CD2-CG1 4.16Å; L29-A68 HydrophobicContact CD1-CB 4.32Å; L29-A68 HydrophobicContact CG-CB 3.92Å
30I97.9Very high96.5Very high0 Ų013.3 Ų13.30%07%0.072CC..EExtended strand (participates in β ladder)trans-137.7146.6-173.666-176.1000111.4D13 P19 G20 W21 V28 C34 C35 H38D13-I30 WeakPolarHBondContact OD2-CG2 3.41Å; P19-I30 VanDerWaalsContact CB-O 3.32Å; P19-I30 WeakPolarHBondContact CB-O 3.43Å; G20-I30 PolarHBondContact N-O 3.32Å; W21-I30 HydrophobicContact CB-CG1 3.82Å; W21-I30 PolarHBondContact N-O 3.28Å; W21-I30 PolarHBondContact O-N 2.95Å; V28-I30 HydrophobicContact CG2-CG2 4.37Å; I30-C34 HydrophobicContact CB-CB 4.18Å; I30-C35 HydrophobicContact CD1-CB 4.06Å; I30-C35 HydrophobicContact CG1-CB 4.26Å; I30-H38 HydrophobicContact CD1-CB 4.07Å
31C95.9Very high96.6Very high12 Ų1213.5 Ų13.58%0.0817%0.072CC..  trans-80.1166.3172.5670000111.2C11 A16 E33 C34 C35C11-C31 HydrophobicContact CB-CB 3.93Å; C11-C31 PolarHBondContact SG-N 2.88Å; C11-C31 VanDerWaalsContact SG-N 3.35Å; A16-C31 HydrophobicContact CB-CB 4.25Å; C31-E33 PolarHBondContact O-N 3.39Å; C31-C34 PolarHBondContact O-N 3.38Å; C31-C35 PolarHBondContact O-N 2.89Å
32D93.6Very high96.5Very high44 Ų4414 Ų1424%0.2358%0.077CC..Hα-helixtrans-54.7-46.5-175.4-55.8-94.1000113.3W21 C34 C35 S36 W296 Q300W21-D32 PolarHBondContact NE1-OD1 2.91Å; D32-C34 PolarHBondContact O-N 2.98Å; D32-C35 CarbonylContact O-C 3.38Å; D32-C35 WeakPolarHBondContact O-CA 3.49Å; D32-C35 WeakPolarHBondContact O-CB 3.46Å; D32-C35 PolarHBondContact O-N 3.48Å; D32-S36 PolarHBondContact O-N 3.27Å; D32-W296 HydrophobicContact CB-CH2 4.28Å; D32-W296 HydrophobicContact CB-CZ3 4.22Å; D32-W296 VanDerWaalsContact O-CH2 3.3Å; D32-W296 WeakPolarHBondContact O-CH2 3.3Å; D32-Q300 PolarHBondContact OD1-NE2 3.36Å
33E93.4Very high96.4Very high77 Ų7715.6 Ų15.636%0.368%0.083SC..Hα-helixtrans-58.4-29.8175.5-80.7-171.4-117.900114.4C31 S36 V99 K103C31-E33 PolarHBondContact O-N 3.39Å; E33-S36 PolarHBondContact O-OG 3.47Å; E33-S36 VanDerWaalsContact O-OG 3.09Å; E33-V99 HydrophobicContact CB-CG2 3.92Å; E33-V99 HydrophobicContact CG-CG2 3.67Å; E33-V99 WeakPolarHBondContact OE2-CG2 3.31Å; E33-K103 HydrophobicContact CB-CD 4.49Å; E33-K103 VanDerWaalsContact CD-NZ 3.28Å; E33-K103 IonicContact OE1-NZ 2.65Å; E33-K103 IonicContact OE2-NZ 2.78Å; E33-K103 PolarHBondContact OE2-NZ 3.21Å
34C96.4Very high96.2Very high0 Ų018.9 Ų18.90%010%0.098CC..Hα-helixtrans-85.7-35.4174.5-64.80000110.3D13 I30 C31 D32 S36 V37 H38 I107D13-C34 HydrophobicContact CB-CB 4.42Å; I30-C34 HydrophobicContact CB-CB 4.18Å; C31-C34 PolarHBondContact O-N 3.38Å; D32-C34 PolarHBondContact O-N 2.98Å; C34-S36 VanDerWaalsContact C-N 3.35Å; C34-S36 PolarHBondContact O-N 3.2Å; C34-V37 PolarHBondContact O-N 3.02Å; C34-V37 VanDerWaalsContact O-N 3.16Å; C34-H38 PolarHBondContact O-CD2 3.28Å; C34-H38 VanDerWaalsContact O-CD2 3.24Å; C34-H38 PolarHBondContact O-N 3.5Å; C34-I107 HydrophobicContact CB-CD1 3.72Å
35C96.3Very high96.1Very high0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-59.8-38.8174.5-170.10000113W21 I30 C31 D32 V37 H38 R39 W296W21-C35 HydrophobicContact CB-CB 4.12Å; W21-C35 HydrophobicContact CD2-CB 4.09Å; W21-C35 HydrophobicContact CG-CB 3.8Å; I30-C35 HydrophobicContact CD1-CB 4.06Å; I30-C35 HydrophobicContact CG1-CB 4.26Å; C31-C35 PolarHBondContact O-N 2.89Å; D32-C35 CarbonylContact O-C 3.38Å; D32-C35 WeakPolarHBondContact O-CA 3.49Å; D32-C35 WeakPolarHBondContact O-CB 3.46Å; D32-C35 PolarHBondContact O-N 3.48Å; C35-V37 VanDerWaalsContact C-N 3.26Å; C35-V37 PolarHBondContact O-N 3.01Å; C35-H38 PolarHBondContact O-N 2.77Å; C35-H38 VanDerWaalsContact O-N 3.15Å; C35-R39 WeakPolarHBondContact O-CG 3.4Å; C35-R39 PolarHBondContact O-N 3.33Å; C35-W296 HydrophobicContact CB-CZ3 4.28Å
36S93.8Very high96.2Very high11 Ų1118.4 Ų18.48%0.07710%0.096CC..Hα-helixtrans-58.5-38.7175.166.10000112.2D32 E33 C34 S40D32-S36 PolarHBondContact O-N 3.27Å; E33-S36 PolarHBondContact O-OG 3.47Å; E33-S36 VanDerWaalsContact O-OG 3.09Å; C34-S36 VanDerWaalsContact C-N 3.35Å; C34-S36 PolarHBondContact O-N 3.2Å; S36-S40 PolarHBondContact O-N 3.41Å
37V95.7Very high96.2Very high6 Ų618.1 Ų18.14%0.03610%0.096CC..Hα-helixtrans-69-47.9173-171.90000110.7C34 C35 R39 S40 L41 V99 I107C34-V37 PolarHBondContact O-N 3.02Å; C34-V37 VanDerWaalsContact O-N 3.16Å; C35-V37 VanDerWaalsContact C-N 3.26Å; C35-V37 PolarHBondContact O-N 3.01Å; V37-R39 VanDerWaalsContact C-N 3.29Å; V37-R39 PolarHBondContact O-N 3.47Å; V37-S40 WeakPolarHBondContact O-CA 3.27Å; V37-S40 WeakPolarHBondContact O-CB 3.23Å; V37-S40 PolarHBondContact O-N 3.31Å; V37-S40 PolarHBondContact O-OG 3.08Å; V37-L41 WeakPolarHBondContact O-CG 3.37Å; V37-L41 PolarHBondContact O-N 3.21Å; V37-V99 HydrophobicContact CG2-CG1 4.02Å; V37-I107 HydrophobicContact CB-CB 4.48Å; V37-I107 HydrophobicContact CB-CD1 3.93Å; V37-I107 HydrophobicContact CB-CG2 4.06Å; V37-I107 HydrophobicContact CG1-CB 3.96Å; V37-I107 HydrophobicContact CG1-CD1 4.34Å; V37-I107 HydrophobicContact CG1-CG2 3.54Å; V37-I107 HydrophobicContact CG2-CD1 4.11Å
38H97.6Very high96.2Very high0 Ų018.5 Ų18.50%010%0.098CC..Hα-helixtrans-57.5-39.8179.1-82.4-120.5000112.7D13 I30 C34 C35 S40 L41 G42 S46 V48 Y111D13-H38 IonicContact OD2-NE2 2.74Å; D13-H38 PolarHBondContact OD2-NE2 3.15Å; I30-H38 HydrophobicContact CD1-CB 4.07Å; C34-H38 PolarHBondContact O-CD2 3.28Å; C34-H38 VanDerWaalsContact O-CD2 3.24Å; C34-H38 PolarHBondContact O-N 3.5Å; C35-H38 PolarHBondContact O-N 2.77Å; C35-H38 VanDerWaalsContact O-N 3.15Å; H38-S40 VanDerWaalsContact C-N 3.26Å; H38-S40 PolarHBondContact O-N 2.78Å; H38-L41 WeakPolarHBondContact O-CB 3.29Å; H38-L41 PolarHBondContact O-N 3.11Å; H38-G42 PolarHBondContact O-N 3.04Å; H38-S46 WeakPolarHBondContact ND1-CB 3.39Å; H38-S46 PolarHBondContact ND1-OG 2.87Å; H38-V48 HydrophobicContact CB-CG1 3.6Å; H38-Y111 AromaticContact CE1-CD2 3.57Å; H38-Y111 AromaticContact CE1-CE2 3.28Å; H38-Y111 WeakPolarHBondContact CE1-CE2 3.23Å; H38-Y111 AromaticContact CE1-CZ 3.84Å; H38-Y111 AromaticContact NE2-CD2 3.59Å; H38-Y111 AromaticContact NE2-CE2 3.23Å; H38-Y111 WeakPolarHBondContact NE2-CE2 3.19Å
39R95.8Very high96.2Very high20 Ų2020 Ų208%0.07510%0.104CC..Hα-helixtrans-58.5-36.2173.4-76.6171.461.4-1241.3112.1C35 V37 L41 G42 V48 D293 S310 V312 P316C35-R39 WeakPolarHBondContact O-CG 3.4Å; C35-R39 PolarHBondContact O-N 3.33Å; V37-R39 VanDerWaalsContact C-N 3.29Å; V37-R39 PolarHBondContact O-N 3.47Å; R39-L41 VanDerWaalsContact C-N 3.3Å; R39-L41 PolarHBondContact O-N 3.12Å; R39-G42 PolarHBondContact O-N 3.17Å; R39-V48 HydrophobicContact CG-CG2 3.77Å; R39-D293 IonicContact CZ-OD1 3.91Å; R39-D293 IonicContact NH2-OD1 2.61Å; R39-D293 PolarHBondContact NH2-OD1 2.91Å; R39-S310 PolarHBondContact NH1-O 2.91Å; R39-V312 HydrophobicContact CB-CG2 3.93Å; R39-P316 WeakPolarHBondContact O-CG 3.31Å
40S94.7Very high96.1Very high50 Ų5020 Ų2035%0.3510%0.104SC..Hα-helixtrans-72.5-16.317679.10000114.6S36 V37 H38 P316S36-S40 PolarHBondContact O-N 3.41Å; V37-S40 WeakPolarHBondContact O-CA 3.27Å; V37-S40 WeakPolarHBondContact O-CB 3.23Å; V37-S40 PolarHBondContact O-N 3.31Å; V37-S40 PolarHBondContact O-OG 3.08Å; H38-S40 VanDerWaalsContact C-N 3.26Å; H38-S40 PolarHBondContact O-N 2.78Å; S40-P316 WeakPolarHBondContact O-CB 3.33Å
41L95.9Very high96Very high8 Ų821.5 Ų21.54%0.04211%0.112CC..Hα-helixtrans-83.9-27.2176.5-50.5-176.1000112.4V37 H38 R39 H44 I45 I107 R108V37-L41 WeakPolarHBondContact O-CG 3.37Å; V37-L41 PolarHBondContact O-N 3.21Å; H38-L41 WeakPolarHBondContact O-CB 3.29Å; H38-L41 PolarHBondContact O-N 3.11Å; R39-L41 VanDerWaalsContact C-N 3.3Å; R39-L41 PolarHBondContact O-N 3.12Å; L41-H44 PolarHBondContact O-CE1 2.87Å; L41-I45 HydrophobicContact CB-CB 3.94Å; L41-I45 HydrophobicContact CB-CD1 4.02Å; L41-I45 HydrophobicContact CB-CG2 3.99Å; L41-I45 HydrophobicContact CD1-CG2 3.63Å; L41-I45 HydrophobicContact CG-CG2 4.44Å; L41-I107 HydrophobicContact CD1-CG2 3.99Å; L41-R108 HydrophobicContact CD2-CG 3.87Å
42G95.6Very high96Very high9 Ų927.9 Ų27.99%0.09313%0.134CC..  trans79.3165.4-177.300000114.5H38 R39 H44 I45 S46H38-G42 PolarHBondContact O-N 3.04Å; R39-G42 PolarHBondContact O-N 3.17Å; G42-H44 VanDerWaalsContact C-N 3.29Å; G42-H44 PolarHBondContact O-N 3.14Å; G42-I45 PolarHBondContact O-N 2.77Å; G42-S46 PolarHBondContact O-N 3.08Å
43R96.2Very high95.9Very high34 Ų3431.1 Ų31.113%0.12815%0.148CC..THydrogen-bonded Turntrans-59.9-32.8-168.7-67.3-176.170.8-109.6-7.8114.4I45 S46 I47 D285 D288R43-I45 PolarHBondContact O-N 2.77Å; R43-S46 PolarHBondContact O-N 3.31Å; R43-I47 HydrophobicContact CB-CG1 4.22Å; R43-I47 WeakPolarHBondContact O-CG1 3.45Å; R43-D285 VanDerWaalsContact CD-OD1 3.31Å; R43-D285 WeakPolarHBondContact CD-OD1 3.22Å; R43-D285 IonicContact CZ-OD1 3.65Å; R43-D285 IonicContact NE-OD1 2.75Å; R43-D285 IonicContact NH1-OD1 2.7Å; R43-D285 PolarHBondContact NH1-OD1 3.05Å; R43-D288 WeakPolarHBondContact CD-OD2 2.93Å; R43-D288 IonicContact NE-OD2 3.34Å
44H94.8Very high95.8Very high70 Ų7029 Ų2932%0.32414%0.141SC..THydrogen-bonded Turntrans-59.9-30.2177.170.9-75.8000113L41 G42 V317 N318 P319L41-H44 PolarHBondContact O-CE1 2.87Å; G42-H44 VanDerWaalsContact C-N 3.29Å; G42-H44 PolarHBondContact O-N 3.14Å; H44-V317 PolarHBondContact CE1-O 3.46Å; H44-N318 PolarHBondContact CD2-OD1 2.76Å; H44-P319 WeakPolarHBondContact NE2-CD 3.5Å
45I96.8Very high95.6Very high13 Ų1332.2 Ų32.27%0.06718%0.175CC..THydrogen-bonded Turntrans-95.5-45.3172.1-67.2158.4000111.1N25 R26 L41 G42 R43 Q112N25-I45 PolarHBondContact ND2-O 2.98Å; N25-I45 VanDerWaalsContact ND2-O 3.1Å; R26-I45 PolarHBondContact NE-O 3.28Å; R26-I45 PolarHBondContact NH2-O 2.65Å; L41-I45 HydrophobicContact CB-CB 3.94Å; L41-I45 HydrophobicContact CB-CD1 4.02Å; L41-I45 HydrophobicContact CB-CG2 3.99Å; L41-I45 HydrophobicContact CD1-CG2 3.63Å; L41-I45 HydrophobicContact CG-CG2 4.44Å; G42-I45 PolarHBondContact O-N 2.77Å; R43-I45 PolarHBondContact O-N 2.77Å; I45-Q112 HydrophobicContact CD1-CB 3.99Å; I45-Q112 HydrophobicContact CD1-CG 3.7Å
46S97.9Very high95.5Very high2 Ų234 Ų341%0.01418%0.182CC..  trans-146.2115.1-176.7172.20000112.8S23 N25 H38 G42 R43 V48S23-S46 WeakPolarHBondContact CB-OG 3.32Å; S23-S46 PolarHBondContact OG-OG 3.1Å; N25-S46 WeakPolarHBondContact OD1-CA 3.49Å; H38-S46 WeakPolarHBondContact ND1-CB 3.39Å; H38-S46 PolarHBondContact ND1-OG 2.87Å; G42-S46 PolarHBondContact O-N 3.08Å; R43-S46 PolarHBondContact O-N 3.31Å; S46-V48 PolarHBondContact O-N 2.79Å; S46-V48 WeakPolarHBondContact OG-CG1 3.36Å
47I97.9Very high95.6Very high16 Ų1634.5 Ų34.58%0.08218%0.184CC..  trans-81.8103.9168.5-56.6173.4000108S23 I24 N25 R43 Y542S23-I47 CarbonylContact C-O 3.56Å; S23-I47 WeakPolarHBondContact CA-O 3.13Å; I24-I47 HydrophobicContact CB-CB 4.39Å; I24-I47 HydrophobicContact CB-CG2 4.38Å; I24-I47 HydrophobicContact CD1-CG2 4.1Å; I24-I47 HydrophobicContact CG1-CG2 4.44Å; I24-I47 PolarHBondContact N-O 3.01Å; N25-I47 HydrophobicContact CB-CD1 4.27Å; N25-I47 HydrophobicContact CB-CG1 4.5Å; N25-I47 PolarHBondContact OD1-N 2.97Å; R43-I47 HydrophobicContact CB-CG1 4.22Å; R43-I47 WeakPolarHBondContact O-CG1 3.45Å; I47-Y542 HydrophobicContact CD1-CE1 4.23Å
48V97.7Very high95.7Very high7 Ų739.3 Ų39.34%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-90.8148-180-62.50000112.7A22 H38 R39 S46 N292A22-V48 WeakPolarHBondContact O-CA 3.38Å; H38-V48 HydrophobicContact CB-CG1 3.6Å; R39-V48 HydrophobicContact CG-CG2 3.77Å; S46-V48 PolarHBondContact O-N 2.79Å; S46-V48 WeakPolarHBondContact OG-CG1 3.36Å; V48-N292 PolarHBondContact O-ND2 3.26Å
49K97.6Very high95.7Very high33 Ų3339.8 Ų39.814%0.14322%0.219CC..EExtended strand (participates in β ladder)trans-156.1140.7172.4-168.8173.6177.478.30110.7A22 I24 G55 W56A22-K49 PolarHBondContact N-O 3.08Å; A22-K49 PolarHBondContact O-N 3.31Å; I24-K49 HydrophobicContact CD1-CB 3.9Å; I24-K49 HydrophobicContact CD1-CD 3.88Å; I24-K49 HydrophobicContact CG1-CB 4.36Å; K49-G55 WeakPolarHBondContact CE-O 3.49Å; K49-G55 PolarHBondContact NZ-O 3.11Å; K49-W56 HydrophobicContact CB-CH2 4.02Å; K49-W56 HydrophobicContact CB-CZ2 3.68Å; K49-W56 HydrophobicContact CD-CD2 3.8Å; K49-W56 HydrophobicContact CD-CE3 4.04Å; K49-W56 HydrophobicContact CD-CG 4.46Å; K49-W56 HydrophobicContact CD-CH2 3.92Å; K49-W56 HydrophobicContact CD-CZ2 3.65Å; K49-W56 HydrophobicContact CD-CZ3 4.1Å; K49-W56 HydrophobicContact CG-CD2 4.47Å; K49-W56 HydrophobicContact CG-CH2 4.24Å; K49-W56 HydrophobicContact CG-CZ2 3.62Å
50H97.4Very high95.8Very high9 Ų939.7 Ų39.74%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-78.4134.2179.2-167-43.9000110.5G20 W21 R52 H53 S54 W56 V295G20-H50 PolarHBondContact O-CE1 2.74Å; G20-H50 PolarHBondContact O-ND1 2.88Å; W21-H50 HydrophobicContact CD2-CB 3.96Å; W21-H50 AromaticContact CE2-CD2 3.48Å; W21-H50 VanDerWaalsContact CE2-CD2 3.48Å; W21-H50 HydrophobicContact CE3-CB 3.75Å; W21-H50 HydrophobicContact CH2-CB 4.09Å; W21-H50 HydrophobicContact CZ2-CB 4.27Å; W21-H50 AromaticContact CZ2-CD2 3.56Å; W21-H50 HydrophobicContact CZ3-CB 3.83Å; W21-H50 AromaticContact NE1-CD2 3.74Å; H50-R52 PolarHBondContact ND1-N 2.88Å; H50-H53 HydrophobicContact CB-CB 4.48Å; H50-H53 AromaticContact CE1-CD2 3.66Å; H50-H53 PolarHBondContact ND1-N 2.91Å; H50-H53 AromaticContact NE2-CD2 3.69Å; H50-S54 WeakPolarHBondContact O-CB 3.5Å; H50-W56 PolarHBondContact O-NE1 2.85Å; H50-V295 HydrophobicContact CB-CG1 3.63Å
51L96.1Very high95.9Very high31 Ų3139.2 Ų39.216%0.16221%0.213CC..SBendtrans-64.6-50.7-179.4-62.9174.2000113.1P19 G20 A22 L29 W56 L61P19-L51 VanDerWaalsContact O-CD1 3.26Å; P19-L51 WeakPolarHBondContact O-CD1 3.33Å; G20-L51 WeakPolarHBondContact O-CB 3.26Å; G20-L51 WeakPolarHBondContact O-CG 3.44Å; G20-L51 PolarHBondContact O-N 3.19Å; A22-L51 HydrophobicContact CB-CD2 3.98Å; L29-L51 HydrophobicContact CD2-CD1 4.19Å; L29-L51 HydrophobicContact CD2-CD2 4.09Å; L51-W56 HydrophobicContact CD2-CZ2 4Å; L51-W56 PolarHBondContact O-NE1 3.41Å; L51-L61 HydrophobicContact CD2-CD1 3.82Å
52R94Very high96Very high146 Ų14643.5 Ų43.555%0.55123%0.233SC*.SBendtrans-91.7-28.2-173.9-64.2177.9-91.8-119.14115.4D18 H50D18-R52 IonicContact OD1-CZ 3.53Å; D18-R52 IonicContact OD1-NH1 3.67Å; D18-R52 PolarHBondContact OD1-NH1 2.91Å; D18-R52 IonicContact OD1-NH2 3.53Å; D18-R52 PolarHBondContact OD1-NH2 2.92Å; D18-R52 IonicContact OD2-CZ 3.32Å; D18-R52 IonicContact OD2-NH1 2.79Å; D18-R52 IonicContact OD2-NH2 3.56Å; D18-R52 PolarHBondContact OD2-NH2 3.34Å; H50-R52 PolarHBondContact ND1-N 2.88Å
53H92.8Very high96.1Very high112 Ų11243.1 Ų43.152%0.51923%0.228SC..SBendtrans-111.528.3-174-69.3-88.3000114.3H50 V295 T299H50-H53 HydrophobicContact CB-CB 4.48Å; H50-H53 AromaticContact CE1-CD2 3.66Å; H50-H53 PolarHBondContact ND1-N 2.91Å; H50-H53 AromaticContact NE2-CD2 3.69Å; H53-V295 HydrophobicContact CB-CG1 3.87Å; H53-V295 WeakPolarHBondContact O-CG2 3.4Å; H53-T299 HydrophobicContact CB-CG2 4.02Å
54S91.8Very high96.2Very high32 Ų3241.5 Ų41.522%0.22422%0.222CC..SBendtrans-142.2147.8173.8-58.90000110.6H50 W56H50-S54 WeakPolarHBondContact O-CB 3.5Å; S54-W56 PolarHBondContact O-N 3.42Å
55G90.7Very high96.3Very high68 Ų6841.8 Ų41.870%0.70122%0.224SC*.  trans-70.1128.2171.300000111.1K49K49-G55 WeakPolarHBondContact CE-O 3.49Å; K49-G55 PolarHBondContact NZ-O 3.11Å
56W95.3Very high96.3Very high38 Ų3843 Ų4314%0.14423%0.232CC..  trans-118.7137.8178.2-74.784.2000111.1A22 I24 K49 H50 L51 S54 L60 L61 V64A22-W56 HydrophobicContact CB-CH2 4.02Å; A22-W56 HydrophobicContact CB-CZ2 4.34Å; I24-W56 HydrophobicContact CD1-CH2 4.04Å; I24-W56 HydrophobicContact CD1-CZ3 4.05Å; I24-W56 HydrophobicContact CG1-CH2 3.93Å; I24-W56 HydrophobicContact CG1-CZ3 4.19Å; K49-W56 HydrophobicContact CB-CH2 4.02Å; K49-W56 HydrophobicContact CB-CZ2 3.68Å; K49-W56 HydrophobicContact CD-CD2 3.8Å; K49-W56 HydrophobicContact CD-CE3 4.04Å; K49-W56 HydrophobicContact CD-CG 4.46Å; K49-W56 HydrophobicContact CD-CH2 3.92Å; K49-W56 HydrophobicContact CD-CZ2 3.65Å; K49-W56 HydrophobicContact CD-CZ3 4.1Å; K49-W56 HydrophobicContact CG-CD2 4.47Å; K49-W56 HydrophobicContact CG-CH2 4.24Å; K49-W56 HydrophobicContact CG-CZ2 3.62Å; H50-W56 PolarHBondContact O-NE1 2.85Å; L51-W56 HydrophobicContact CD2-CZ2 4Å; L51-W56 PolarHBondContact O-NE1 3.41Å; S54-W56 PolarHBondContact O-N 3.42Å; W56-L60 HydrophobicContact CE3-CD2 4.3Å; W56-L60 HydrophobicContact CE3-CG 4.25Å; W56-L60 HydrophobicContact CZ3-CD2 4.42Å; W56-L60 HydrophobicContact CZ3-CG 4.24Å; W56-L61 HydrophobicContact CB-CB 4.16Å; W56-L61 HydrophobicContact CD2-CB 4.04Å; W56-L61 HydrophobicContact CD2-CD1 4.07Å; W56-L61 HydrophobicContact CD2-CG 4.49Å; W56-L61 HydrophobicContact CE3-CB 3.72Å; W56-L61 HydrophobicContact CE3-CD1 4.1Å; W56-L61 HydrophobicContact CE3-CG 4.48Å; W56-L61 HydrophobicContact CG-CB 4.26Å; W56-L61 HydrophobicContact CG-CD2 4.47Å; W56-L61 HydrophobicContact CH2-CD1 4.37Å; W56-L61 HydrophobicContact CZ2-CD1 4.35Å; W56-L61 HydrophobicContact CZ3-CB 4.39Å; W56-L61 HydrophobicContact CZ3-CD1 4.25Å; W56-V64 HydrophobicContact CZ3-CG2 4.31Å
57P95.3Very high96.3Very high20 Ų2043 Ų4313%0.1323%0.232CC..  trans-59.4129.2154.3-16.530.2000108.8T59 L60 L61P57-T59 VanDerWaalsContact C-N 3.28Å; P57-T59 PolarHBondContact O-N 3.1Å; P57-L60 HydrophobicContact CB-CB 3.93Å; P57-L60 HydrophobicContact CG-CB 4.12Å; P57-L60 HydrophobicContact CG-CD2 4.18Å; P57-L60 PolarHBondContact O-N 2.93Å; P57-L60 VanDerWaalsContact O-N 3.15Å; P57-L61 PolarHBondContact O-N 3.02Å; P57-L61 VanDerWaalsContact O-N 3.14Å
58P96.8Very high96.2Very high107 Ų10743.6 Ų43.670%0.69524%0.239SC*.Hα-helixtrans-57.9-40.5-175-27.135.3000113.2L61 Q62P58-L61 PolarHBondContact O-N 3.26Å; P58-Q62 WeakPolarHBondContact O-CB 3.48Å; P58-Q62 PolarHBondContact O-N 3.14Å
59T97.7Very high96Very high10 Ų1046.2 Ų46.26%0.06126%0.257CS..Hα-helixtrans-65.8-36.9178.544.50000112.9P57 Q62 M63 I180 L181 E184P57-T59 VanDerWaalsContact C-N 3.28Å; P57-T59 PolarHBondContact O-N 3.1Å; T59-Q62 PolarHBondContact O-N 2.79Å; T59-M63 WeakPolarHBondContact O-CB 3.39Å; T59-M63 PolarHBondContact O-N 3.36Å; T59-I180 HydrophobicContact CG2-CD1 3.59Å; T59-I180 HydrophobicContact CG2-CG1 3.85Å; T59-L181 WeakPolarHBondContact O-CD2 3.35Å; T59-E184 VanDerWaalsContact CB-OE1 3.24Å; T59-E184 WeakPolarHBondContact CB-OE1 3.46Å; T59-E184 PolarHBondContact OG1-OE1 3.45Å
60L98.1Very high95.7Very high19 Ų1949.8 Ų49.810%0.09928%0.278CS..Hα-helixtrans-68.5-42.6175.5-175.866.9000111.4I24 W56 P57 M63 V64 E184 V188I24-L60 HydrophobicContact CD1-CD2 4.41Å; I24-L60 HydrophobicContact CG2-CD1 4.02Å; W56-L60 HydrophobicContact CE3-CD2 4.3Å; W56-L60 HydrophobicContact CE3-CG 4.25Å; W56-L60 HydrophobicContact CZ3-CD2 4.42Å; W56-L60 HydrophobicContact CZ3-CG 4.24Å; P57-L60 HydrophobicContact CB-CB 3.93Å; P57-L60 HydrophobicContact CG-CB 4.12Å; P57-L60 HydrophobicContact CG-CD2 4.18Å; P57-L60 PolarHBondContact O-N 2.93Å; P57-L60 VanDerWaalsContact O-N 3.15Å; L60-M63 HydrophobicContact CD1-CE 3.81Å; L60-M63 PolarHBondContact O-N 2.69Å; L60-V64 WeakPolarHBondContact O-CG2 3.38Å; L60-V64 PolarHBondContact O-N 3.17Å; L60-E184 HydrophobicContact CD1-CB 4.29Å; L60-E184 PolarHBondContact N-OE1 3.42Å; L60-E184 VanDerWaalsContact N-OE1 3.12Å; L60-V188 HydrophobicContact CD1-CG2 3.76Å
61L97.6Very high95.2Very high40 Ų4050.4 Ų50.421%0.20929%0.287CS..Hα-helixtrans-64.3-44.8174.7179.158.9000110.9L51 W56 P57 P58 M63 V64 Q65L51-L61 HydrophobicContact CD2-CD1 3.82Å; W56-L61 HydrophobicContact CB-CB 4.16Å; W56-L61 HydrophobicContact CD2-CB 4.04Å; W56-L61 HydrophobicContact CD2-CD1 4.07Å; W56-L61 HydrophobicContact CD2-CG 4.49Å; W56-L61 HydrophobicContact CE3-CB 3.72Å; W56-L61 HydrophobicContact CE3-CD1 4.1Å; W56-L61 HydrophobicContact CE3-CG 4.48Å; W56-L61 HydrophobicContact CG-CB 4.26Å; W56-L61 HydrophobicContact CG-CD2 4.47Å; W56-L61 HydrophobicContact CH2-CD1 4.37Å; W56-L61 HydrophobicContact CZ2-CD1 4.35Å; W56-L61 HydrophobicContact CZ3-CB 4.39Å; W56-L61 HydrophobicContact CZ3-CD1 4.25Å; P57-L61 PolarHBondContact O-N 3.02Å; P57-L61 VanDerWaalsContact O-N 3.14Å; P58-L61 PolarHBondContact O-N 3.26Å; L61-M63 VanDerWaalsContact C-N 3.32Å; L61-M63 PolarHBondContact O-N 2.7Å; L61-V64 PolarHBondContact O-N 2.93Å; L61-Q65 HydrophobicContact CD1-CG 4.18Å; L61-Q65 HydrophobicContact CG-CG 4.47Å; L61-Q65 WeakPolarHBondContact O-CB 3.48Å; L61-Q65 WeakPolarHBondContact O-CG 3.49Å; L61-Q65 PolarHBondContact O-N 3.09Å
62Q98.1Very high95Very high98 Ų9849 Ų4946%0.45828%0.28SS..Hα-helixtrans-59.9-40175.9-174.1-177.67.600112P58 T59 T66 L181P58-Q62 WeakPolarHBondContact O-CB 3.48Å; P58-Q62 PolarHBondContact O-N 3.14Å; T59-Q62 PolarHBondContact O-N 2.79Å; Q62-T66 VanDerWaalsContact O-CB 3.23Å; Q62-T66 WeakPolarHBondContact O-CB 3.37Å; Q62-T66 PolarHBondContact O-N 3.1Å; Q62-T66 PolarHBondContact O-OG1 3.4Å; Q62-L181 HydrophobicContact CB-CD2 4.11Å; Q62-L181 HydrophobicContact CG-CD1 4.18Å; Q62-L181 HydrophobicContact CG-CD2 4.06Å
63M98.4Very high95.1Very high0 Ų043.6 Ų43.60%026%0.262CS..Hα-helixtrans-60.2-48.9176.2-177.9-78.6-69.300111I24 T59 L60 L61 T66 L67 L146 L181 E184 L185 V188I24-M63 HydrophobicContact CG2-CE 4.21Å; T59-M63 WeakPolarHBondContact O-CB 3.39Å; T59-M63 PolarHBondContact O-N 3.36Å; L60-M63 HydrophobicContact CD1-CE 3.81Å; L60-M63 PolarHBondContact O-N 2.69Å; L61-M63 VanDerWaalsContact C-N 3.32Å; L61-M63 PolarHBondContact O-N 2.7Å; M63-T66 PolarHBondContact O-N 2.93Å; M63-L67 PolarHBondContact O-N 3.21Å; M63-L67 HydrophobicContact SD-CD1 3.43Å; M63-L67 WeakPolarHBondContact SD-CD1 3.3Å; M63-L67 HydrophobicContact SD-CG 4.27Å; M63-L146 HydrophobicContact CG-CD1 4.29Å; M63-L146 HydrophobicContact CG-CD2 4.41Å; M63-L181 HydrophobicContact CB-CB 4.25Å; M63-L181 HydrophobicContact CB-CD2 4.12Å; M63-L181 HydrophobicContact CG-CB 4.3Å; M63-L181 VanDerWaalsContact CG-O 3.29Å; M63-L181 WeakPolarHBondContact CG-O 3.49Å; M63-E184 HydrophobicContact CB-CB 4.12Å; M63-E184 HydrophobicContact CE-CB 4.4Å; M63-E184 HydrophobicContact CG-CB 4.03Å; M63-L185 HydrophobicContact CG-CB 4.24Å; M63-L185 HydrophobicContact SD-CB 4.11Å; M63-L185 HydrophobicContact SD-CD1 4.32Å; M63-V188 HydrophobicContact CE-CG2 4.19Å
64V98.1Very high95.1Very high0 Ų039.8 Ų39.80%025%0.248CC..Hα-helixtrans-64.9-45.1178.5175.80000112A22 I24 L29 W56 L60 L61 T66 L67 A68A22-V64 HydrophobicContact CB-CG1 3.91Å; I24-V64 HydrophobicContact CB-CG2 4.29Å; I24-V64 HydrophobicContact CG1-CG2 4.47Å; I24-V64 HydrophobicContact CG2-CG2 3.83Å; L29-V64 HydrophobicContact CD2-CG1 4.16Å; W56-V64 HydrophobicContact CZ3-CG2 4.31Å; L60-V64 WeakPolarHBondContact O-CG2 3.38Å; L60-V64 PolarHBondContact O-N 3.17Å; L61-V64 PolarHBondContact O-N 2.93Å; V64-T66 VanDerWaalsContact C-N 3.31Å; V64-T66 PolarHBondContact O-N 2.99Å; V64-L67 PolarHBondContact O-N 3.31Å; V64-A68 WeakPolarHBondContact O-CB 3.42Å; V64-A68 PolarHBondContact O-N 3.37Å
65Q96.3Very high95.3Very high77 Ų7738.7 Ų38.736%0.3624%0.239SC..Hα-helixtrans-63.1-37.2176-73.3177.9-38.800111.9L61 A68 S69L61-Q65 HydrophobicContact CD1-CG 4.18Å; L61-Q65 HydrophobicContact CG-CG 4.47Å; L61-Q65 WeakPolarHBondContact O-CB 3.48Å; L61-Q65 WeakPolarHBondContact O-CG 3.49Å; L61-Q65 PolarHBondContact O-N 3.09Å; Q65-A68 PolarHBondContact O-N 3.09Å; Q65-S69 VanDerWaalsContact O-CB 3.3Å; Q65-S69 WeakPolarHBondContact O-CB 3.32Å; Q65-S69 PolarHBondContact O-N 2.87Å; Q65-S69 PolarHBondContact O-OG 2.95Å
66T96.9Very high95.5Very high39 Ų3935.6 Ų35.624%0.23921%0.207CC..Hα-helixtrans-67-41.4176.3-56.20000111Q62 M63 V64 S69 N70 L146Q62-T66 VanDerWaalsContact O-CB 3.23Å; Q62-T66 WeakPolarHBondContact O-CB 3.37Å; Q62-T66 PolarHBondContact O-N 3.1Å; Q62-T66 PolarHBondContact O-OG1 3.4Å; M63-T66 PolarHBondContact O-N 2.93Å; V64-T66 VanDerWaalsContact C-N 3.31Å; V64-T66 PolarHBondContact O-N 2.99Å; T66-S69 PolarHBondContact O-OG 3.08Å; T66-N70 WeakPolarHBondContact CG2-ND2 3.35Å; T66-N70 VanDerWaalsContact O-CB 3.31Å; T66-N70 WeakPolarHBondContact O-CB 3.46Å; T66-N70 PolarHBondContact O-N 3.07Å; T66-N70 VanDerWaalsContact O-N 3.1Å; T66-N70 PolarHBondContact O-ND2 2.79Å; T66-L146 HydrophobicContact CG2-CD1 3.7Å
67L97.1Very high95.5Very high2 Ų234.3 Ų34.31%0.0120%0.202CC..Hα-helixtrans-63.2-48.2173.3-79.5172.7000112.4G27 M63 V64 N70 G71 A72 L146 L150 L185G27-L67 CarbonylContact O-C 3.44Å; M63-L67 PolarHBondContact O-N 3.21Å; M63-L67 HydrophobicContact SD-CD1 3.43Å; M63-L67 WeakPolarHBondContact SD-CD1 3.3Å; M63-L67 HydrophobicContact SD-CG 4.27Å; V64-L67 PolarHBondContact O-N 3.31Å; L67-N70 PolarHBondContact O-N 3.03Å; L67-G71 PolarHBondContact O-N 3.1Å; L67-A72 HydrophobicContact CB-CB 3.89Å; L67-A72 HydrophobicContact CD2-CB 4.15Å; L67-A72 WeakPolarHBondContact O-CB 3.43Å; L67-A72 PolarHBondContact O-N 3.24Å; L67-L146 HydrophobicContact CD2-CB 3.56Å; L67-L146 HydrophobicContact CG-CB 4.1Å; L67-L146 HydrophobicContact CG-CD1 4.35Å; L67-L150 HydrophobicContact CD1-CD2 4.19Å; L67-L150 HydrophobicContact CD2-CB 4.12Å; L67-L150 HydrophobicContact CD2-CD2 3.79Å; L67-L185 HydrophobicContact CD1-CD1 4.21Å
68A95.7Very high95.3Very high27 Ų2736.4 Ų36.422%0.22321%0.21CC..Hα-helixtrans-62.5-47.2-177.700000111.9G27 L29 V64 Q65 G71G27-A68 WeakPolarHBondContact O-CA 3.16Å; G27-A68 PolarHBondContact O-N 3.39Å; L29-A68 HydrophobicContact CD1-CB 4.32Å; L29-A68 HydrophobicContact CG-CB 3.92Å; V64-A68 WeakPolarHBondContact O-CB 3.42Å; V64-A68 PolarHBondContact O-N 3.37Å; Q65-A68 PolarHBondContact O-N 3.09Å; A68-G71 PolarHBondContact O-N 3.46Å
69S93.9Very high95Very high62 Ų6232.7 Ų32.743%0.43419%0.186SC..Hα-helixtrans-68.9-34.4-179.657.70000113.7Q65 T66 G71Q65-S69 VanDerWaalsContact O-CB 3.3Å; Q65-S69 WeakPolarHBondContact O-CB 3.32Å; Q65-S69 PolarHBondContact O-N 2.87Å; Q65-S69 PolarHBondContact O-OG 2.95Å; T66-S69 PolarHBondContact O-OG 3.08Å; S69-G71 VanDerWaalsContact C-N 3.26Å; S69-G71 PolarHBondContact O-N 3.22Å
70N91.4Very high94.6Very high108 Ų10833.8 Ų33.858%0.57819%0.192SC*.THydrogen-bonded Turntrans-86.112.2174.4-65.8-75.3000113.6T66 L67T66-N70 WeakPolarHBondContact CG2-ND2 3.35Å; T66-N70 VanDerWaalsContact O-CB 3.31Å; T66-N70 WeakPolarHBondContact O-CB 3.46Å; T66-N70 PolarHBondContact O-N 3.07Å; T66-N70 VanDerWaalsContact O-N 3.1Å; T66-N70 PolarHBondContact O-ND2 2.79Å; L67-N70 PolarHBondContact O-N 3.03Å
71G86.3Confident94Very high23 Ų2338.1 Ų38.124%0.23722%0.215CC..THydrogen-bonded Turntrans83.529.4165.100000115.8L67 A68 S69 N73 S74L67-G71 PolarHBondContact O-N 3.1Å; A68-G71 PolarHBondContact O-N 3.46Å; S69-G71 VanDerWaalsContact C-N 3.26Å; S69-G71 PolarHBondContact O-N 3.22Å; G71-N73 PolarHBondContact O-N 3.45Å; G71-S74 VanDerWaalsContact O-CB 3.29Å; G71-S74 WeakPolarHBondContact O-CB 3.47Å; G71-S74 PolarHBondContact O-N 2.89Å; G71-S74 PolarHBondContact O-OG 2.69Å
72A93.4Very high93.1Very high0 Ų039.5 Ų39.50%022%0.222CC..THydrogen-bonded Turntrans-48.5-31.6170.800000113.7L67 S74 I75 L150L67-A72 HydrophobicContact CB-CB 3.89Å; L67-A72 HydrophobicContact CD2-CB 4.15Å; L67-A72 WeakPolarHBondContact O-CB 3.43Å; L67-A72 PolarHBondContact O-N 3.24Å; A72-S74 PolarHBondContact O-N 2.71Å; A72-S74 VanDerWaalsContact O-N 3.11Å; A72-I75 WeakPolarHBondContact O-CB 3.2Å; A72-I75 PolarHBondContact O-N 2.97Å; A72-L150 HydrophobicContact CB-CD2 3.65Å
73N94.8Very high92Very high33 Ų3339.9 Ų39.918%0.17623%0.233CC..Hα-helixtrans-56.8-22.7173.9-172.661.4000114.2A12 V28 G71 I75 W76 E77 K110A12-N73 PolarHBondContact O-OD1 2.75Å; V28-N73 HydrophobicContact CG1-CB 4.02Å; G71-N73 PolarHBondContact O-N 3.45Å; N73-I75 VanDerWaalsContact C-N 3.25Å; N73-I75 PolarHBondContact O-N 3.49Å; N73-W76 PolarHBondContact O-N 2.81Å; N73-E77 VanDerWaalsContact ND2-CD 3.28Å; N73-E77 PolarHBondContact ND2-OE2 3.17Å; N73-E77 PolarHBondContact O-N 3.32Å; N73-K110 WeakPolarHBondContact OD1-CE 3.38Å; N73-K110 PolarHBondContact OD1-NZ 2.74Å
74S94.2Very high90.7Very high33 Ų3343.1 Ų43.123%0.23126%0.26CS..Hα-helixtrans-67.6-21.2174.366.90000114G71 A72 H78G71-S74 VanDerWaalsContact O-CB 3.29Å; G71-S74 WeakPolarHBondContact O-CB 3.47Å; G71-S74 PolarHBondContact O-N 2.89Å; G71-S74 PolarHBondContact O-OG 2.69Å; A72-S74 PolarHBondContact O-N 2.71Å; A72-S74 VanDerWaalsContact O-N 3.11Å; S74-H78 VanDerWaalsContact O-CA 3.29Å; S74-H78 WeakPolarHBondContact O-CA 3.31Å; S74-H78 WeakPolarHBondContact O-CB 3.48Å; S74-H78 PolarHBondContact O-N 2.74Å; S74-H78 VanDerWaalsContact O-N 3.15Å
75I94.8Very high89.2Confident8 Ų847.4 Ų47.44%0.04128%0.28CS..Hα-helixtrans-69.1-45171.4-60.5167.1000109.3A72 N73 E147 L150 R151 S154A72-I75 WeakPolarHBondContact O-CB 3.2Å; A72-I75 PolarHBondContact O-N 2.97Å; N73-I75 VanDerWaalsContact C-N 3.25Å; N73-I75 PolarHBondContact O-N 3.49Å; I75-E147 HydrophobicContact CD1-CG 4.35Å; I75-L150 HydrophobicContact CD1-CB 4.14Å; I75-L150 HydrophobicContact CD1-CD2 3.8Å; I75-L150 HydrophobicContact CD1-CG 3.83Å; I75-R151 HydrophobicContact CD1-CB 3.94Å; I75-R151 HydrophobicContact CG1-CB 4.36Å; I75-R151 HydrophobicContact CG1-CG 4.47Å; I75-S154 WeakPolarHBondContact CG2-OG 3.16Å
76W96.3Very high87.6Confident4 Ų448 Ų482%0.01529%0.289CS..Hα-helixtrans-82.8-12.6-175.8-46.3124.3000114.3R26 N73 K110 Y111 L114 F116 V117 L150R26-W76 HydrophobicContact CB-CZ2 4.4Å; R26-W76 PolarHBondContact O-NE1 3.06Å; N73-W76 PolarHBondContact O-N 2.81Å; W76-K110 HydrophobicContact CB-CD 4.5Å; W76-K110 HydrophobicContact CB-CG 4.1Å; W76-Y111 HydrophobicContact CB-CE1 4.1Å; W76-Y111 AromaticContact CD1-CE1 3.89Å; W76-Y111 HydrophobicContact CD2-CD1 4.45Å; W76-Y111 HydrophobicContact CD2-CE1 4.35Å; W76-Y111 HydrophobicContact CG-CD1 4.33Å; W76-Y111 AromaticContact CG-CE1 3.85Å; W76-Y111 HydrophobicContact CG-CE1 3.85Å; W76-L114 HydrophobicContact CE3-CD2 4.43Å; W76-L114 HydrophobicContact CZ3-CD2 4.3Å; W76-F116 WeakPolarHBondContact O-CB 3.2Å; W76-V117 HydrophobicContact CE3-CG1 4.16Å; W76-L150 HydrophobicContact CZ2-CD1 4.25Å; W76-L150 HydrophobicContact CZ2-CD2 4.5Å; W76-L150 HydrophobicContact CZ2-CG 4.45Å
77E94.4Very high85.7Confident11 Ų1154.7 Ų54.75%0.05132%0.317CS..THydrogen-bonded Turntrans-126.218.3-179.6-61.4-170.6161.500112.8A12 N73 S79 L80 L81 K92 F106 K110A12-E77 VanDerWaalsContact O-OE1 3.13Å; N73-E77 VanDerWaalsContact ND2-CD 3.28Å; N73-E77 PolarHBondContact ND2-OE2 3.17Å; N73-E77 PolarHBondContact O-N 3.32Å; E77-S79 PolarHBondContact O-N 3.1Å; E77-L80 HydrophobicContact CB-CB 4.38Å; E77-L80 HydrophobicContact CB-CD1 4.14Å; E77-L80 HydrophobicContact CG-CD1 4.21Å; E77-L80 WeakPolarHBondContact O-CA 3.3Å; E77-L80 WeakPolarHBondContact O-CB 3.44Å; E77-L80 PolarHBondContact O-N 3.43Å; E77-L81 PolarHBondContact O-N 2.82Å; E77-K92 WeakPolarHBondContact OE1-CE 3.44Å; E77-K92 IonicContact OE1-NZ 3.17Å; E77-K92 PolarHBondContact OE1-NZ 3.33Å; E77-K92 IonicContact OE2-NZ 2.7Å; E77-K92 PolarHBondContact OE2-NZ 3.09Å; E77-F106 WeakPolarHBondContact OE1-CZ 3.24Å; E77-K110 HydrophobicContact CG-CD 4.15Å; E77-K110 WeakPolarHBondContact OE1-CE 3.44Å; E77-K110 IonicContact OE1-NZ 3.31Å; E77-K110 PolarHBondContact OE1-NZ 3.24Å
78H92.2Very high84Confident64 Ų6457.5 Ų57.530%0.29634%0.337SS..G310 helixtrans-50.3-47.3-171.3-171.4-72000114.1S74 L80 L81 F116 H118S74-H78 VanDerWaalsContact O-CA 3.29Å; S74-H78 WeakPolarHBondContact O-CA 3.31Å; S74-H78 WeakPolarHBondContact O-CB 3.48Å; S74-H78 PolarHBondContact O-N 2.74Å; S74-H78 VanDerWaalsContact O-N 3.15Å; H78-L80 VanDerWaalsContact C-N 3.26Å; H78-L80 PolarHBondContact O-N 2.82Å; H78-L81 PolarHBondContact O-N 3.35Å; H78-F116 WeakPolarHBondContact CA-O 3.22Å; H78-F116 WeakPolarHBondContact CB-O 3.41Å; H78-F116 PolarHBondContact N-O 3.11Å; H78-H118 HydrophobicContact CB-CB 4.3Å; H78-H118 AromaticContact CE1-CG 3.98Å; H78-H118 AromaticContact CE1-ND1 3.61Å
79S90.1Very high82.6Confident28 Ų2859.4 Ų59.420%0.19636%0.359CS..G310 helixtrans-74.5-13.5179.469.40000113.9E77 L81 Q85 F116E77-S79 PolarHBondContact O-N 3.1Å; S79-L81 VanDerWaalsContact C-N 3.33Å; S79-Q85 WeakPolarHBondContact O-CB 3.38Å; S79-F116 PolarHBondContact N-O 3.49Å; S79-F116 VanDerWaalsContact OG-CA 3.29Å; S79-F116 WeakPolarHBondContact OG-CA 3.24Å
80L88.7Confident81.6Confident33 Ų3363.3 Ų63.317%0.17336%0.364CS..G310 helixtrans-83.5-12.8171.9-53.3176.7000112.1E77 H78 R90 F106 F116E77-L80 HydrophobicContact CB-CB 4.38Å; E77-L80 HydrophobicContact CB-CD1 4.14Å; E77-L80 HydrophobicContact CG-CD1 4.21Å; E77-L80 WeakPolarHBondContact O-CA 3.3Å; E77-L80 WeakPolarHBondContact O-CB 3.44Å; E77-L80 PolarHBondContact O-N 3.43Å; H78-L80 VanDerWaalsContact C-N 3.26Å; H78-L80 PolarHBondContact O-N 2.82Å; L80-R90 HydrophobicContact CD2-CB 4.19Å; L80-R90 WeakPolarHBondContact CD2-O 3.4Å; L80-F106 HydrophobicContact CD1-CE2 3.66Å; L80-F106 HydrophobicContact CD1-CZ 3.83Å; L80-F116 HydrophobicContact CD1-CB 4.4Å; L80-F116 HydrophobicContact CD1-CD1 4.13Å; L80-F116 HydrophobicContact CD1-CD2 3.97Å; L80-F116 HydrophobicContact CD1-CE1 4.41Å; L80-F116 HydrophobicContact CD1-CE2 4.27Å; L80-F116 HydrophobicContact CD1-CG 3.91Å; L80-F116 HydrophobicContact CD1-CZ 4.48Å; L80-F116 HydrophobicContact CD2-CD1 3.7Å; L80-F116 HydrophobicContact CD2-CE1 3.91Å; L80-F116 HydrophobicContact CD2-CG 4.27Å; L80-F116 HydrophobicContact CG-CB 4.17Å; L80-F116 HydrophobicContact CG-CD1 3.88Å; L80-F116 HydrophobicContact CG-CE1 4.43Å; L80-F116 HydrophobicContact CG-CG 3.94Å
81L85.4Confident81.2Confident111 Ų11166.9 Ų66.958%0.58137%0.37SS*.SBendtrans-90-11.6174.8-60176.2000112.8E77 H78 S79 P83E77-L81 PolarHBondContact O-N 2.82Å; H78-L81 PolarHBondContact O-N 3.35Å; S79-L81 VanDerWaalsContact C-N 3.33Å; L81-P83 WeakPolarHBondContact O-CD 3.4Å
82D79.9Confident81.4Confident68 Ų6868.3 Ų68.336%0.36437%0.369SS..  trans-83.2114.6175.2178.2-1.2000110.6A84 Q85 V86D82-A84 PolarHBondContact O-N 3.22Å; D82-A84 VanDerWaalsContact O-N 3.08Å; D82-A84 WeakPolarHBondContact OD1-CB 3.33Å; D82-A84 PolarHBondContact OD1-N 2.98Å; D82-Q85 HydrophobicContact CB-CB 4.29Å; D82-Q85 HydrophobicContact CB-CG 3.99Å; D82-Q85 PolarHBondContact O-N 2.93Å; D82-Q85 WeakPolarHBondContact OD2-CG 3.4Å; D82-V86 PolarHBondContact O-N 3.22Å
83P74.2Confident81.5Confident106 Ų10668.7 Ų68.769%0.68837%0.372SS*.THydrogen-bonded Turntrans-57.1-24.6179.6-24.835.5000114.6L81L81-P83 WeakPolarHBondContact O-CD 3.4Å
84A71.7Confident81.5Confident69 Ų6970.9 Ų70.957%0.5738%0.384SS*.THydrogen-bonded Turntrans-71.7-30.7176.700000112.5D82D82-A84 PolarHBondContact O-N 3.22Å; D82-A84 VanDerWaalsContact O-N 3.08Å; D82-A84 WeakPolarHBondContact OD1-CB 3.33Å; D82-A84 PolarHBondContact OD1-N 2.98Å
85Q66Low81.5Confident90 Ų9071 Ų7142%0.42138%0.384SS..THydrogen-bonded Turntrans-86.6-23-177-63.6-62.3-38.300113.2S79 D82 Q87 S88S79-Q85 WeakPolarHBondContact O-CB 3.38Å; D82-Q85 HydrophobicContact CB-CB 4.29Å; D82-Q85 HydrophobicContact CB-CG 3.99Å; D82-Q85 PolarHBondContact O-N 2.93Å; D82-Q85 WeakPolarHBondContact OD2-CG 3.4Å; Q85-Q87 PolarHBondContact O-N 2.96Å; Q85-S88 VanDerWaalsContact O-CB 3.3Å; Q85-S88 WeakPolarHBondContact O-CB 3.48Å; Q85-S88 PolarHBondContact O-N 3.01Å; Q85-S88 PolarHBondContact O-OG 3.45Å
86V62Low81.5Confident90 Ų9078.4 Ų78.455%0.54542%0.418SS..G310 helixtrans-55.6-26.8179.1176.40000112.6D82 S88D82-V86 PolarHBondContact O-N 3.22Å; V86-S88 PolarHBondContact O-N 3.15Å
87Q57.4Low81.3Confident178 Ų17880.1 Ų80.183%0.83243%0.428SS*.G310 helixtrans-69.6-13.6177.6-59.3-172.27.800113.9Q85 G89Q85-Q87 PolarHBondContact O-N 2.96Å; Q87-G89 PolarHBondContact O-N 2.87Å; Q87-G89 VanDerWaalsContact O-N 3.11Å
88S61.9Low81.1Confident62 Ų6287.7 Ų87.743%0.43446%0.46SS..G310 helixtrans-77.79.4-174.190.50000114.9Q85 V86 R90Q85-S88 VanDerWaalsContact O-CB 3.3Å; Q85-S88 WeakPolarHBondContact O-CB 3.48Å; Q85-S88 PolarHBondContact O-N 3.01Å; Q85-S88 PolarHBondContact O-OG 3.45Å; V86-S88 PolarHBondContact O-N 3.15Å; S88-R90 PolarHBondContact O-N 3.05Å; S88-R90 WeakPolarHBondContact OG-CB 3.41Å; S88-R90 WeakPolarHBondContact OG-CD 3.47Å; S88-R90 WeakPolarHBondContact OG-CG 3.49Å
89G65.4Low80.9Confident66 Ų6686.6 Ų86.668%0.6846%0.458SS*.SBendtrans70.9-6.5-174.600000115.4Q87 R91Q87-G89 PolarHBondContact O-N 2.87Å; Q87-G89 VanDerWaalsContact O-N 3.11Å; G89-R91 PolarHBondContact O-N 2.91Å
90R72.8Confident80.7Confident144 Ų14490.4 Ų90.454%0.54347%0.473SS..  trans-74.792.4176.4-68.9175.8179.2-162.51.3109.2L80 S88 F116L80-R90 HydrophobicContact CD2-CB 4.19Å; L80-R90 WeakPolarHBondContact CD2-O 3.4Å; S88-R90 PolarHBondContact O-N 3.05Å; S88-R90 WeakPolarHBondContact OG-CB 3.41Å; S88-R90 WeakPolarHBondContact OG-CD 3.47Å; S88-R90 WeakPolarHBondContact OG-CG 3.49Å; R90-F116 HydrophobicContact CB-CE1 4.4Å
91R82.8Confident80.6Confident183 Ų18391.8 Ų91.869%0.69148%0.482SS*.  trans-110.4150.2178.474.8-176.8-169.1-155.73.5112.4G89G89-R91 PolarHBondContact O-N 2.91Å
92K91.9Very high80.9Confident53 Ų5388.2 Ų88.223%0.2347%0.469CS..PPolyproline II helixtrans-66.8139165.9-169.1171-169.7156.60110.1A12 D13 E77 F106A12-K92 WeakPolarHBondContact O-CE 3.32Å; A12-K92 PolarHBondContact O-NZ 2.87Å; D13-K92 VanDerWaalsContact C-CE 3.5Å; D13-K92 VanDerWaalsContact O-CE 3.24Å; D13-K92 WeakPolarHBondContact O-CE 3.26Å; D13-K92 VanDerWaalsContact O-CG 3.24Å; D13-K92 WeakPolarHBondContact O-CG 3.32Å; E77-K92 WeakPolarHBondContact OE1-CE 3.44Å; E77-K92 IonicContact OE1-NZ 3.17Å; E77-K92 PolarHBondContact OE1-NZ 3.33Å; E77-K92 IonicContact OE2-NZ 2.7Å; E77-K92 PolarHBondContact OE2-NZ 3.09Å; K92-F106 HydrophobicContact CB-CE2 4.26Å; K92-F106 HydrophobicContact CB-CZ 4.13Å; K92-F106 HydrophobicContact CG-CE1 4.1Å; K92-F106 HydrophobicContact CG-CE2 4.41Å; K92-F106 HydrophobicContact CG-CZ 3.84Å
93P94.7Very high81.6Confident8 Ų885 Ų855%0.05245%0.452CS..PPolyproline II helixtrans-69.4155.4175.428.7-35.3000111.7D13 C14 D97 K103 F106D13-P93 WeakPolarHBondContact O-CD 3.46Å; D13-P93 WeakPolarHBondContact O-CG 3.38Å; C14-P93 CarbonylContact C-O 3.6Å; C14-P93 VanDerWaalsContact CA-O 3.29Å; C14-P93 WeakPolarHBondContact CA-O 3.21Å; C14-P93 HydrophobicContact CB-CB 4.49Å; C14-P93 HydrophobicContact CB-CG 4.11Å; P93-D97 WeakPolarHBondContact CA-OD2 3.36Å; P93-D97 HydrophobicContact CB-CB 4.1Å; P93-K103 HydrophobicContact CB-CG 4Å; P93-K103 HydrophobicContact CG-CG 4.13Å; P93-F106 VanDerWaalsContact CD-CD1 3.45Å; P93-F106 HydrophobicContact CG-CB 4.02Å; P93-F106 HydrophobicContact CG-CD1 3.91Å; P93-F106 HydrophobicContact CG-CG 3.97Å
94N94.3Very high82.6Confident79 Ų7980.2 Ų80.242%0.42242%0.421SS..PPolyproline II helixtrans-86.3165174.7-62.2-72.1000111.5C14 Q96 D97 K103C14-N94 CarbonylContact O-C 3.49Å; N94-Q96 PolarHBondContact O-N 3.06Å; N94-D97 PolarHBondContact N-OD2 3.31Å; N94-D97 PolarHBondContact ND2-OD2 3.42Å; N94-D97 PolarHBondContact O-N 2.78Å; N94-D97 VanDerWaalsContact O-N 3.14Å; N94-K103 VanDerWaalsContact O-CE 3.31Å; N94-K103 WeakPolarHBondContact O-CE 3.3Å
95P95.3Very high83.6Confident36 Ų3682 Ų8223%0.23442%0.417CS..THydrogen-bonded Turntrans-57.6-31.7176.1-24.534000113.2C14 A16 K103C14-P95 WeakPolarHBondContact O-CD 3.39Å; C14-P95 WeakPolarHBondContact O-CG 3.34Å; C14-P95 VanDerWaalsContact O-N 3.15Å; A16-P95 HydrophobicContact CB-CB 3.92Å; A16-P95 HydrophobicContact CB-CG 4.35Å; P95-K103 PolarHBondContact O-NZ 3.43Å
96Q93.4Very high85.1Confident163 Ų16378.3 Ų78.376%0.76240%0.4SS*.THydrogen-bonded Turntrans-91.4-4.9-178.3-61.476.812.500114.3N94N94-Q96 PolarHBondContact O-N 3.06Å
97D92.4Very high86.7Confident41 Ų4174 Ų7422%0.21937%0.374CS..SBendtrans-67.9142.9177.5-75.4-27.1000110.4P93 N94 A102 K103P93-D97 WeakPolarHBondContact CA-OD2 3.36Å; P93-D97 HydrophobicContact CB-CB 4.1Å; N94-D97 PolarHBondContact N-OD2 3.31Å; N94-D97 PolarHBondContact ND2-OD2 3.42Å; N94-D97 PolarHBondContact O-N 2.78Å; N94-D97 VanDerWaalsContact O-N 3.14Å; D97-A102 HydrophobicContact CB-CB 4.33Å; D97-K103 WeakPolarHBondContact O-CD 3.26Å; D97-K103 WeakPolarHBondContact O-CE 3.37Å; D97-K103 PolarHBondContact O-NZ 3.45Å; D97-K103 VanDerWaalsContact O-NZ 3.08Å
98K90.1Very high88.6Confident169 Ų16969.7 Ų69.774%0.73535%0.35SS*.  trans-61.1140.1-177.2-65.8180178.2177.90111.4H100 K103K98-H100 WeakPolarHBondContact CB-O 3.36Å; K98-H100 PolarHBondContact O-N 2.79Å; K98-K103 PolarHBondContact O-N 3.26Å
99V89.4Confident90.2Very high42 Ų4267.6 Ų67.626%0.25534%0.336SS..Iπ-helixtrans-48-47170.9-174.20000110.8E33 V37 S104E33-V99 HydrophobicContact CB-CG2 3.92Å; E33-V99 HydrophobicContact CG-CG2 3.67Å; E33-V99 WeakPolarHBondContact OE2-CG2 3.31Å; V37-V99 HydrophobicContact CG2-CG1 4.02Å; V99-S104 WeakPolarHBondContact O-CB 3.47Å; V99-S104 PolarHBondContact O-N 2.65Å
100H85.8Confident91.7Very high108 Ų10864.4 Ų64.450%0.530%0.304SS..Iπ-helixtrans-118129.1177.9-170.5-76.2000111K98K98-H100 WeakPolarHBondContact CB-O 3.36Å; K98-H100 PolarHBondContact O-N 2.79Å
101T86.2Confident92.9Very high61 Ų6157.7 Ų57.737%0.37428%0.278SS..Iπ-helixcis-82-35.8-4.161.40000113K103 S104 E105T101-K103 PolarHBondContact O-N 2.87Å; T101-S104 CarbonylContact O-C 3.6Å; T101-S104 WeakPolarHBondContact O-CA 3.36Å; T101-S104 WeakPolarHBondContact O-CB 3.32Å; T101-S104 PolarHBondContact O-N 2.76Å; T101-S104 PolarHBondContact O-OG 3.15Å; T101-E105 WeakPolarHBondContact CB-OE1 3.39Å; T101-E105 WeakPolarHBondContact CB-OE2 3.39Å; T101-E105 PolarHBondContact O-N 3.46Å; T101-E105 PolarHBondContact OG1-OE2 3.42Å
102A91.7Very high93.4Very high36 Ų3653.5 Ų53.530%0.29827%0.267SS..Iπ-helixtrans-48.8-57.5-158.500000116.1D97 S104 E105 F106D97-A102 HydrophobicContact CB-CB 4.33Å; A102-S104 VanDerWaalsContact C-N 3.31Å; A102-S104 PolarHBondContact O-N 3.04Å; A102-E105 PolarHBondContact O-N 3.26Å; A102-F106 WeakPolarHBondContact O-CB 3.5Å; A102-F106 PolarHBondContact O-N 3.06Å; A102-F106 VanDerWaalsContact O-N 3.1Å
103K94.7Very high93.5Very high1 Ų157.2 Ų57.20%0.00429%0.286CS..Iπ-helixtrans-63.8-39.8178.7-68175.1176.41640110.9C14 E33 P93 N94 P95 D97 K98 T101 F106 I107C14-K103 HydrophobicContact CB-CD 4.25Å; C14-K103 HydrophobicContact CB-CG 4.36Å; E33-K103 HydrophobicContact CB-CD 4.49Å; E33-K103 VanDerWaalsContact CD-NZ 3.28Å; E33-K103 IonicContact OE1-NZ 2.65Å; E33-K103 IonicContact OE2-NZ 2.78Å; E33-K103 PolarHBondContact OE2-NZ 3.21Å; P93-K103 HydrophobicContact CB-CG 4Å; P93-K103 HydrophobicContact CG-CG 4.13Å; N94-K103 VanDerWaalsContact O-CE 3.31Å; N94-K103 WeakPolarHBondContact O-CE 3.3Å; P95-K103 PolarHBondContact O-NZ 3.43Å; D97-K103 WeakPolarHBondContact O-CD 3.26Å; D97-K103 WeakPolarHBondContact O-CE 3.37Å; D97-K103 PolarHBondContact O-NZ 3.45Å; D97-K103 VanDerWaalsContact O-NZ 3.08Å; K98-K103 PolarHBondContact O-N 3.26Å; T101-K103 PolarHBondContact O-N 2.87Å; K103-F106 PolarHBondContact O-N 3.35Å; K103-I107 WeakPolarHBondContact O-CB 3.29Å; K103-I107 WeakPolarHBondContact O-CD1 3.43Å; K103-I107 VanDerWaalsContact O-CG1 3.22Å; K103-I107 WeakPolarHBondContact O-CG1 3.29Å; K103-I107 PolarHBondContact O-N 3.3Å
104S94.3Very high93.5Very high5 Ų558.1 Ų58.14%0.03529%0.291CS..Hα-helixtrans-70.1-33.6-178.881.90000114.4V99 T101 A102 R108V99-S104 WeakPolarHBondContact O-CB 3.47Å; V99-S104 PolarHBondContact O-N 2.65Å; T101-S104 CarbonylContact O-C 3.6Å; T101-S104 WeakPolarHBondContact O-CA 3.36Å; T101-S104 WeakPolarHBondContact O-CB 3.32Å; T101-S104 PolarHBondContact O-N 2.76Å; T101-S104 PolarHBondContact O-OG 3.15Å; A102-S104 VanDerWaalsContact C-N 3.31Å; A102-S104 PolarHBondContact O-N 3.04Å; S104-R108 VanDerWaalsContact C-NH1 3.35Å; S104-R108 VanDerWaalsContact CB-NH1 3.29Å; S104-R108 WeakPolarHBondContact O-CG 3.46Å; S104-R108 PolarHBondContact O-N 3.43Å; S104-R108 PolarHBondContact O-NH1 2.93Å; S104-R108 VanDerWaalsContact O-NH1 3.08Å; S104-R108 PolarHBondContact OG-NH1 3.41Å
105E94.3Very high93.5Very high106 Ų10656.1 Ų56.150%0.49529%0.285SS..Hα-helixtrans-68.9-47.4172.8-76.1168.816000110.6T101 A102 I107 R108 A109T101-E105 WeakPolarHBondContact CB-OE1 3.39Å; T101-E105 WeakPolarHBondContact CB-OE2 3.39Å; T101-E105 PolarHBondContact O-N 3.46Å; T101-E105 PolarHBondContact OG1-OE2 3.42Å; A102-E105 PolarHBondContact O-N 3.26Å; E105-I107 PolarHBondContact O-N 2.88Å; E105-R108 PolarHBondContact O-N 2.91Å; E105-A109 WeakPolarHBondContact O-CB 3.49Å; E105-A109 PolarHBondContact O-N 3.02Å
106F95.9Very high93.3Very high14 Ų1454.9 Ų54.96%0.06128%0.276CS..Hα-helixtrans-59.2-45.8177.6-178.9-98.8000112.3D13 E77 L80 K92 P93 A102 K103 A109 K110 F116D13-F106 HydrophobicContact CB-CD1 4.43Å; D13-F106 HydrophobicContact CB-CE1 4.37Å; D13-F106 WeakPolarHBondContact O-CE1 3.44Å; E77-F106 WeakPolarHBondContact OE1-CZ 3.24Å; L80-F106 HydrophobicContact CD1-CE2 3.66Å; L80-F106 HydrophobicContact CD1-CZ 3.83Å; K92-F106 HydrophobicContact CB-CE2 4.26Å; K92-F106 HydrophobicContact CB-CZ 4.13Å; K92-F106 HydrophobicContact CG-CE1 4.1Å; K92-F106 HydrophobicContact CG-CE2 4.41Å; K92-F106 HydrophobicContact CG-CZ 3.84Å; P93-F106 VanDerWaalsContact CD-CD1 3.45Å; P93-F106 HydrophobicContact CG-CB 4.02Å; P93-F106 HydrophobicContact CG-CD1 3.91Å; P93-F106 HydrophobicContact CG-CG 3.97Å; A102-F106 WeakPolarHBondContact O-CB 3.5Å; A102-F106 PolarHBondContact O-N 3.06Å; A102-F106 VanDerWaalsContact O-N 3.1Å; K103-F106 PolarHBondContact O-N 3.35Å; F106-A109 PolarHBondContact O-N 2.94Å; F106-K110 HydrophobicContact CD1-CD 4.46Å; F106-K110 HydrophobicContact CE1-CD 3.69Å; F106-K110 HydrophobicContact CZ-CD 4.09Å; F106-K110 WeakPolarHBondContact O-CB 3.22Å; F106-K110 PolarHBondContact O-N 3.43Å; F106-F116 AromaticContact CD2-CE2 3.9Å; F106-F116 HydrophobicContact CD2-CE2 3.9Å; F106-F116 HydrophobicContact CD2-CZ 4.03Å; F106-F116 HydrophobicContact CE2-CD2 4.33Å; F106-F116 AromaticContact CE2-CE2 3.57Å; F106-F116 HydrophobicContact CE2-CE2 3.57Å; F106-F116 AromaticContact CE2-CZ 3.9Å; F106-F116 HydrophobicContact CE2-CZ 3.9Å; F106-F116 HydrophobicContact CZ-CE2 4.15Å
107I97.3Very high93.3Very high0 Ų048.2 Ų48.20%025%0.246CC..Hα-helixtrans-64.2-41.3-180-74.8166.3000111.7D13 C34 V37 L41 K103 E105 K110 Y111D13-I107 HydrophobicContact CB-CD1 4.2Å; D13-I107 HydrophobicContact CB-CG1 3.9Å; C34-I107 HydrophobicContact CB-CD1 3.72Å; V37-I107 HydrophobicContact CB-CB 4.48Å; V37-I107 HydrophobicContact CB-CD1 3.93Å; V37-I107 HydrophobicContact CB-CG2 4.06Å; V37-I107 HydrophobicContact CG1-CB 3.96Å; V37-I107 HydrophobicContact CG1-CD1 4.34Å; V37-I107 HydrophobicContact CG1-CG2 3.54Å; V37-I107 HydrophobicContact CG2-CD1 4.11Å; L41-I107 HydrophobicContact CD1-CG2 3.99Å; K103-I107 WeakPolarHBondContact O-CB 3.29Å; K103-I107 WeakPolarHBondContact O-CD1 3.43Å; K103-I107 VanDerWaalsContact O-CG1 3.22Å; K103-I107 WeakPolarHBondContact O-CG1 3.29Å; K103-I107 PolarHBondContact O-N 3.3Å; E105-I107 PolarHBondContact O-N 2.88Å; I107-K110 PolarHBondContact O-N 2.87Å; I107-Y111 HydrophobicContact CG2-CD2 4.17Å; I107-Y111 WeakPolarHBondContact O-CD2 3.19Å; I107-Y111 PolarHBondContact O-N 2.93Å
108R96.4Very high93Very high87 Ų8753 Ų5333%0.32827%0.267SS..Iπ-helixtrans-65.1-47.3173.2-72.2-179.3-163100.3-2.9111.4L41 S104 E105 K110 Q112 M113L41-R108 HydrophobicContact CD2-CG 3.87Å; S104-R108 VanDerWaalsContact C-NH1 3.35Å; S104-R108 VanDerWaalsContact CB-NH1 3.29Å; S104-R108 WeakPolarHBondContact O-CG 3.46Å; S104-R108 PolarHBondContact O-N 3.43Å; S104-R108 PolarHBondContact O-NH1 2.93Å; S104-R108 VanDerWaalsContact O-NH1 3.08Å; S104-R108 PolarHBondContact OG-NH1 3.41Å; E105-R108 PolarHBondContact O-N 2.91Å; R108-K110 PolarHBondContact O-N 3.39Å; R108-Q112 WeakPolarHBondContact O-CA 3.29Å; R108-Q112 VanDerWaalsContact O-CB 3.3Å; R108-Q112 WeakPolarHBondContact O-CB 3.49Å; R108-Q112 PolarHBondContact O-N 3.46Å; R108-M113 PolarHBondContact O-N 3.33Å
109A95.6Very high92.8Very high17 Ų1750.2 Ų50.214%0.1426%0.255CS..Iπ-helixtrans-55.5-42.6175.800000111.5E105 F106 M113 L114 A115 F116E105-A109 WeakPolarHBondContact O-CB 3.49Å; E105-A109 PolarHBondContact O-N 3.02Å; F106-A109 PolarHBondContact O-N 2.94Å; A109-M113 HydrophobicContact CB-SD 4.48Å; A109-M113 CarbonylContact O-C 3.57Å; A109-L114 PolarHBondContact O-N 3.22Å; A109-L114 VanDerWaalsContact O-N 3.13Å; A109-A115 HydrophobicContact CB-CB 4.23Å; A109-A115 VanDerWaalsContact O-CB 3.31Å; A109-A115 WeakPolarHBondContact O-CB 3.28Å; A109-A115 PolarHBondContact O-N 3.38Å; A109-F116 HydrophobicContact CB-CE2 3.99Å; A109-F116 HydrophobicContact CB-CZ 3.9Å
110K96.8Very high92.6Very high0 Ų053.3 Ų53.30%027%0.27CS..Iπ-helixtrans-70.2-50.6-177-175.9170.7175.7-176.90114.5A12 D13 N73 W76 E77 F106 I107 R108 L114 F116A12-K110 PolarHBondContact O-NZ 3Å; D13-K110 WeakPolarHBondContact OD1-CD 3.46Å; D13-K110 WeakPolarHBondContact OD1-CE 3.5Å; D13-K110 IonicContact OD1-NZ 2.74Å; D13-K110 PolarHBondContact OD1-NZ 2.68Å; N73-K110 WeakPolarHBondContact OD1-CE 3.38Å; N73-K110 PolarHBondContact OD1-NZ 2.74Å; W76-K110 HydrophobicContact CB-CD 4.5Å; W76-K110 HydrophobicContact CB-CG 4.1Å; E77-K110 HydrophobicContact CG-CD 4.15Å; E77-K110 WeakPolarHBondContact OE1-CE 3.44Å; E77-K110 IonicContact OE1-NZ 3.31Å; E77-K110 PolarHBondContact OE1-NZ 3.24Å; F106-K110 HydrophobicContact CD1-CD 4.46Å; F106-K110 HydrophobicContact CE1-CD 3.69Å; F106-K110 HydrophobicContact CZ-CD 4.09Å; F106-K110 WeakPolarHBondContact O-CB 3.22Å; F106-K110 PolarHBondContact O-N 3.43Å; I107-K110 PolarHBondContact O-N 2.87Å; R108-K110 PolarHBondContact O-N 3.39Å; K110-L114 WeakPolarHBondContact O-CA 3.44Å; K110-F116 HydrophobicContact CB-CD2 3.98Å; K110-F116 HydrophobicContact CB-CE2 3.97Å; K110-F116 HydrophobicContact CG-CD2 4.29Å
111Y96.9Very high92.2Very high2 Ų250.7 Ų50.71%0.00826%0.262CS..Iπ-helixtrans-108.6-25.9-169.9-57.3-71.7000115.3D13 R26 H38 W76 I107 L114D13-Y111 WeakPolarHBondContact OD1-CE2 3.35Å; D13-Y111 VanDerWaalsContact OD1-CZ 3.3Å; D13-Y111 PolarHBondContact OD1-OH 2.72Å; R26-Y111 HydrophobicContact CB-CD1 4.46Å; R26-Y111 HydrophobicContact CB-CE1 4.06Å; R26-Y111 HydrophobicContact CG-CD1 3.83Å; R26-Y111 HydrophobicContact CG-CE1 3.93Å; R26-Y111 PolarHBondContact NH2-O 3.2Å; H38-Y111 AromaticContact CE1-CD2 3.57Å; H38-Y111 AromaticContact CE1-CE2 3.28Å; H38-Y111 WeakPolarHBondContact CE1-CE2 3.23Å; H38-Y111 AromaticContact CE1-CZ 3.84Å; H38-Y111 AromaticContact NE2-CD2 3.59Å; H38-Y111 AromaticContact NE2-CE2 3.23Å; H38-Y111 WeakPolarHBondContact NE2-CE2 3.19Å; W76-Y111 HydrophobicContact CB-CE1 4.1Å; W76-Y111 AromaticContact CD1-CE1 3.89Å; W76-Y111 HydrophobicContact CD2-CD1 4.45Å; W76-Y111 HydrophobicContact CD2-CE1 4.35Å; W76-Y111 HydrophobicContact CG-CD1 4.33Å; W76-Y111 AromaticContact CG-CE1 3.85Å; W76-Y111 HydrophobicContact CG-CE1 3.85Å; I107-Y111 HydrophobicContact CG2-CD2 4.17Å; I107-Y111 WeakPolarHBondContact O-CD2 3.19Å; I107-Y111 PolarHBondContact O-N 2.93Å; Y111-L114 WeakPolarHBondContact O-CD2 3.23Å
112Q95Very high91.6Very high95 Ų9548.7 Ų48.744%0.44425%0.25SS..Iπ-helixtrans-94.6-44.5179.7-176176.719.900111.2I45 R108I45-Q112 HydrophobicContact CD1-CB 3.99Å; I45-Q112 HydrophobicContact CD1-CG 3.7Å; R108-Q112 WeakPolarHBondContact O-CA 3.29Å; R108-Q112 VanDerWaalsContact O-CB 3.3Å; R108-Q112 WeakPolarHBondContact O-CB 3.49Å; R108-Q112 PolarHBondContact O-N 3.46Å
113M94Very high90.3Very high131 Ų13157.2 Ų57.265%0.64528%0.275SS*.SBendtrans-91.6-11.5177.5-53.4172.669.900113.4R108 A109 A115R108-M113 PolarHBondContact O-N 3.33Å; A109-M113 HydrophobicContact CB-SD 4.48Å; A109-M113 CarbonylContact O-C 3.57Å; M113-A115 HydrophobicContact CB-CB 4.39Å; M113-A115 PolarHBondContact O-N 3.02Å; M113-A115 VanDerWaalsContact O-N 3.11Å
114L94.2Very high88.6Confident28 Ų2864.5 Ų64.515%0.14731%0.314CS..  trans51.530.4-175.7-55.6177.8000113.7W76 A109 K110 Y111 F116 V117 L120 P121W76-L114 HydrophobicContact CE3-CD2 4.43Å; W76-L114 HydrophobicContact CZ3-CD2 4.3Å; A109-L114 PolarHBondContact O-N 3.22Å; A109-L114 VanDerWaalsContact O-N 3.13Å; K110-L114 WeakPolarHBondContact O-CA 3.44Å; Y111-L114 WeakPolarHBondContact O-CD2 3.23Å; L114-F116 PolarHBondContact O-N 3.15Å; L114-V117 HydrophobicContact CB-CG1 4.03Å; L114-V117 HydrophobicContact CB-CG2 4.15Å; L114-V117 HydrophobicContact CD2-CG1 4.31Å; L114-V117 WeakPolarHBondContact O-CG2 3.33Å; L114-V117 PolarHBondContact O-N 2.86Å; L114-L120 HydrophobicContact CB-CD2 3.83Å; L114-P121 HydrophobicContact CD1-CG 3.6Å
115A92.9Very high86.6Confident36 Ų3672.3 Ų72.330%0.29836%0.355SS..THydrogen-bonded Turntrans-65.8-5.2-167.300000115.6A109 M113A109-A115 HydrophobicContact CB-CB 4.23Å; A109-A115 VanDerWaalsContact O-CB 3.31Å; A109-A115 WeakPolarHBondContact O-CB 3.28Å; A109-A115 PolarHBondContact O-N 3.38Å; M113-A115 HydrophobicContact CB-CB 4.39Å; M113-A115 PolarHBondContact O-N 3.02Å; M113-A115 VanDerWaalsContact O-N 3.11Å
116F92.8Very high85.4Confident11 Ų1170.2 Ų70.25%0.04835%0.347CS..THydrogen-bonded Turntrans-124.43.4-179-40.8-61.1000114.8W76 H78 S79 L80 R90 F106 A109 K110 L114W76-F116 WeakPolarHBondContact O-CB 3.2Å; H78-F116 WeakPolarHBondContact CA-O 3.22Å; H78-F116 WeakPolarHBondContact CB-O 3.41Å; H78-F116 PolarHBondContact N-O 3.11Å; S79-F116 PolarHBondContact N-O 3.49Å; S79-F116 VanDerWaalsContact OG-CA 3.29Å; S79-F116 WeakPolarHBondContact OG-CA 3.24Å; L80-F116 HydrophobicContact CD1-CB 4.4Å; L80-F116 HydrophobicContact CD1-CD1 4.13Å; L80-F116 HydrophobicContact CD1-CD2 3.97Å; L80-F116 HydrophobicContact CD1-CE1 4.41Å; L80-F116 HydrophobicContact CD1-CE2 4.27Å; L80-F116 HydrophobicContact CD1-CG 3.91Å; L80-F116 HydrophobicContact CD1-CZ 4.48Å; L80-F116 HydrophobicContact CD2-CD1 3.7Å; L80-F116 HydrophobicContact CD2-CE1 3.91Å; L80-F116 HydrophobicContact CD2-CG 4.27Å; L80-F116 HydrophobicContact CG-CB 4.17Å; L80-F116 HydrophobicContact CG-CD1 3.88Å; L80-F116 HydrophobicContact CG-CE1 4.43Å; L80-F116 HydrophobicContact CG-CG 3.94Å; R90-F116 HydrophobicContact CB-CE1 4.4Å; F106-F116 AromaticContact CD2-CE2 3.9Å; F106-F116 HydrophobicContact CD2-CE2 3.9Å; F106-F116 HydrophobicContact CD2-CZ 4.03Å; F106-F116 HydrophobicContact CE2-CD2 4.33Å; F106-F116 AromaticContact CE2-CE2 3.57Å; F106-F116 HydrophobicContact CE2-CE2 3.57Å; F106-F116 AromaticContact CE2-CZ 3.9Å; F106-F116 HydrophobicContact CE2-CZ 3.9Å; F106-F116 HydrophobicContact CZ-CE2 4.15Å; A109-F116 HydrophobicContact CB-CE2 3.99Å; A109-F116 HydrophobicContact CB-CZ 3.9Å; K110-F116 HydrophobicContact CB-CD2 3.98Å; K110-F116 HydrophobicContact CB-CE2 3.97Å; K110-F116 HydrophobicContact CG-CD2 4.29Å; L114-F116 PolarHBondContact O-N 3.15Å
117V92.4Very high84.1Confident22 Ų2270.6 Ų70.613%0.13336%0.356CS..SBendtrans-73.2158.3176.5-52.20000111.4W76 L114 K119 L120W76-V117 HydrophobicContact CE3-CG1 4.16Å; L114-V117 HydrophobicContact CB-CG1 4.03Å; L114-V117 HydrophobicContact CB-CG2 4.15Å; L114-V117 HydrophobicContact CD2-CG1 4.31Å; L114-V117 WeakPolarHBondContact O-CG2 3.33Å; L114-V117 PolarHBondContact O-N 2.86Å; V117-K119 WeakPolarHBondContact CG2-O 3.4Å; V117-L120 HydrophobicContact CG2-CD2 4.18Å
118H86.9Confident82.9Confident142 Ų14275.4 Ų75.466%0.65739%0.385SS*.SBendtrans-64.8-42.4179.7178.253000113.6H78H78-H118 HydrophobicContact CB-CB 4.3Å; H78-H118 AromaticContact CE1-CG 3.98Å; H78-H118 AromaticContact CE1-ND1 3.61Å
119K84.8Confident82.4Confident111 Ų11173.4 Ų73.448%0.48338%0.382SS..SBendtrans-143.4134.8176.9-170.7-168.9-178.4-166.20107.1V117 L155V117-K119 WeakPolarHBondContact CG2-O 3.4Å; K119-L155 HydrophobicContact CB-CD2 3.93Å; K119-L155 HydrophobicContact CD-CD2 4.47Å; K119-L155 WeakPolarHBondContact O-CD2 3.45Å
120L85Confident82Confident107 Ų10773.4 Ų73.456%0.5638%0.38SS*.PPolyproline II helixtrans-61.9156.5173.7-70173.6000110.7L114 V117L114-L120 HydrophobicContact CB-CD2 3.83Å; V117-L120 HydrophobicContact CG2-CD2 4.18Å
121P78.4Confident81.7Confident52 Ų5279.1 Ų79.134%0.33841%0.405SS..PPolyproline II helixtrans-53.1148.6169.8-2130.6000111.3L114 R123L114-P121 HydrophobicContact CD1-CG 3.6Å; P121-R123 PolarHBondContact O-N 2.99Å
122C72.6Confident81.6Confident20 Ų2082.2 Ų82.214%0.13542%0.422CS..PPolyproline II helixtrans-64.6135.7172.7-57.10000109.4D126 T129 L155C122-D126 HydrophobicContact CB-CB 4.39Å; C122-T129 VanDerWaalsContact SG-CG2 3.5Å; C122-L155 PolarHBondContact N-O 2.86Å; C122-L155 VanDerWaalsContact N-O 3.09Å
123R65.9Low81.6Confident215 Ų21578.5 Ų78.581%0.81141%0.405SS*.PPolyproline II helixtrans-68.4151.6166.9-77.3-179.1160.7-172.6-8.1109.2P121 D125 D126P121-R123 PolarHBondContact O-N 2.99Å; R123-D125 PolarHBondContact O-N 3.02Å; R123-D125 VanDerWaalsContact O-N 3.11Å; R123-D126 PolarHBondContact O-N 3.31Å
124D57.4Low81.7Confident153 Ų15372.2 Ų72.282%0.81837%0.374SS*.THydrogen-bonded Turntrans-61.1-24.8-172.3-56.4-86.9000114.5D126D124-D126 VanDerWaalsContact C-N 3.27Å; D124-D126 PolarHBondContact O-N 2.96Å
125D54.1Low81.8Confident169 Ų16974.6 Ų74.690%0.90438%0.383SS*.THydrogen-bonded Turntrans-59.1-31.2169.5-94.2-26.2000113.5R123 G127R123-D125 PolarHBondContact O-N 3.02Å; R123-D125 VanDerWaalsContact O-N 3.11Å; D125-G127 PolarHBondContact O-N 2.75Å
126D67.3Low82Confident62 Ų6277.6 Ų77.633%0.33239%0.391SS..  trans-8253.6175.6-168.5-0.9000111C122 R123 D124 V128 T129 T130C122-D126 HydrophobicContact CB-CB 4.39Å; R123-D126 PolarHBondContact O-N 3.31Å; D124-D126 VanDerWaalsContact C-N 3.27Å; D124-D126 PolarHBondContact O-N 2.96Å; D126-V128 PolarHBondContact O-N 3.04Å; D126-T129 VanDerWaalsContact CG-CB 3.43Å; D126-T129 PolarHBondContact O-N 2.83Å; D126-T129 VanDerWaalsContact OD1-CB 3.31Å; D126-T129 WeakPolarHBondContact OD1-CB 3.33Å; D126-T129 PolarHBondContact OD1-N 2.76Å; D126-T129 PolarHBondContact OD1-OG1 3.32Å; D126-T129 WeakPolarHBondContact OD2-CB 3.48Å; D126-T129 PolarHBondContact OD2-OG1 2.65Å; D126-T130 PolarHBondContact O-N 2.86Å; D126-T130 VanDerWaalsContact O-N 3.08Å; D126-T130 PolarHBondContact O-OG1 3.38Å
127G69.6Low82.2Confident23 Ų2377 Ų7724%0.23739%0.389CS..THydrogen-bonded Turntrans-65.71.2178.200000114.3D125 K131D125-G127 PolarHBondContact O-N 2.75Å; G127-K131 WeakPolarHBondContact O-CD 3.21Å; G127-K131 WeakPolarHBondContact O-CE 3.34Å; G127-K131 VanDerWaalsContact O-CG 3.25Å; G127-K131 WeakPolarHBondContact O-CG 3.4Å; G127-K131 PolarHBondContact O-NZ 3.31Å
128V72.3Confident82.5Confident101 Ų10176.3 Ų76.361%0.61238%0.384SS*.THydrogen-bonded Turntrans-89-58.6167.7-179.10000109.3D126 T130 K131 D132D126-V128 PolarHBondContact O-N 3.04Å; V128-T130 VanDerWaalsContact C-N 3.29Å; V128-T130 PolarHBondContact O-N 2.87Å; V128-K131 PolarHBondContact O-N 3.29Å; V128-D132 PolarHBondContact O-N 2.92Å; V128-D132 VanDerWaalsContact O-N 3.08Å
129T85.4Confident83Confident45 Ų4572.3 Ų72.328%0.27637%0.371SS..Hα-helixtrans-60.1-39.6-179.3-56.20000111.7C122 D126 K131 D132 L133C122-T129 VanDerWaalsContact SG-CG2 3.5Å; D126-T129 VanDerWaalsContact CG-CB 3.43Å; D126-T129 PolarHBondContact O-N 2.83Å; D126-T129 VanDerWaalsContact OD1-CB 3.31Å; D126-T129 WeakPolarHBondContact OD1-CB 3.33Å; D126-T129 PolarHBondContact OD1-N 2.76Å; D126-T129 PolarHBondContact OD1-OG1 3.32Å; D126-T129 WeakPolarHBondContact OD2-CB 3.48Å; D126-T129 PolarHBondContact OD2-OG1 2.65Å; T129-K131 VanDerWaalsContact C-N 3.31Å; T129-K131 PolarHBondContact O-N 2.96Å; T129-D132 PolarHBondContact O-N 3.17Å; T129-L133 HydrophobicContact CG2-CD1 4.01Å; T129-L133 HydrophobicContact CG2-CG 4.23Å; T129-L133 WeakPolarHBondContact O-CB 3.34Å; T129-L133 WeakPolarHBondContact O-CG 3.44Å; T129-L133 PolarHBondContact O-N 3.34Å
130T87.9Confident83.6Confident16 Ų1668.3 Ų68.310%0.09836%0.358CS..Hα-helixtrans-60-37.9175.8-66.30000112.6D126 V128 S134 Q158D126-T130 PolarHBondContact O-N 2.86Å; D126-T130 VanDerWaalsContact O-N 3.08Å; D126-T130 PolarHBondContact O-OG1 3.38Å; V128-T130 VanDerWaalsContact C-N 3.29Å; V128-T130 PolarHBondContact O-N 2.87Å; T130-S134 WeakPolarHBondContact O-CB 3.26Å; T130-S134 PolarHBondContact O-N 2.97Å; T130-S134 VanDerWaalsContact O-N 3.13Å; T130-S134 PolarHBondContact O-OG 3.44Å; T130-Q158 HydrophobicContact CG2-CG 4.34Å
131K90.9Very high84.2Confident121 Ų12163.2 Ų63.253%0.52633%0.331SS..Hα-helixtrans-70-40.1175.4-72.1171.8-165.4152.60111.5G127 V128 T129 S134 K135G127-K131 WeakPolarHBondContact O-CD 3.21Å; G127-K131 WeakPolarHBondContact O-CE 3.34Å; G127-K131 VanDerWaalsContact O-CG 3.25Å; G127-K131 WeakPolarHBondContact O-CG 3.4Å; G127-K131 PolarHBondContact O-NZ 3.31Å; V128-K131 PolarHBondContact O-N 3.29Å; T129-K131 VanDerWaalsContact C-N 3.31Å; T129-K131 PolarHBondContact O-N 2.96Å; K131-S134 PolarHBondContact O-N 3.44Å; K131-K135 WeakPolarHBondContact O-CG 3.46Å; K131-K135 PolarHBondContact O-N 3.47Å
132D93.3Very high85.1Confident66 Ų6667.2 Ų67.235%0.35334%0.339SS..Hα-helixtrans-73.9-34.4-179-72.1-22.7000113.2V128 T129 S134 K135 Q136V128-D132 PolarHBondContact O-N 2.92Å; V128-D132 VanDerWaalsContact O-N 3.08Å; T129-D132 PolarHBondContact O-N 3.17Å; D132-S134 VanDerWaalsContact C-N 3.27Å; D132-S134 PolarHBondContact O-N 3.36Å; D132-K135 PolarHBondContact O-N 2.63Å; D132-K135 WeakPolarHBondContact OD1-CD 3.36Å; D132-K135 VanDerWaalsContact OD1-CE 3.3Å; D132-K135 WeakPolarHBondContact OD1-CE 3.34Å; D132-K135 IonicContact OD1-NZ 2.8Å; D132-K135 PolarHBondContact OD1-NZ 3.08Å; D132-Q136 VanDerWaalsContact O-CG 3.31Å; D132-Q136 WeakPolarHBondContact O-CG 3.42Å; D132-Q136 PolarHBondContact O-N 3.2Å; D132-Q136 PolarHBondContact O-NE2 2.91Å; D132-Q136 VanDerWaalsContact O-NE2 3.11Å
133L95Very high86.1Confident17 Ų1769.9 Ų69.99%0.08936%0.355CS..Hα-helixtrans-60.8-38166.2-72.9170.6000111.4T129 Q136 L137 L152 L155 A157T129-L133 HydrophobicContact CG2-CD1 4.01Å; T129-L133 HydrophobicContact CG2-CG 4.23Å; T129-L133 WeakPolarHBondContact O-CB 3.34Å; T129-L133 WeakPolarHBondContact O-CG 3.44Å; T129-L133 PolarHBondContact O-N 3.34Å; L133-Q136 WeakPolarHBondContact O-CB 3.4Å; L133-Q136 PolarHBondContact O-N 2.76Å; L133-L137 PolarHBondContact O-N 3.27Å; L133-L152 HydrophobicContact CD2-CD2 3.8Å; L133-L155 HydrophobicContact CD1-CB 3.82Å; L133-L155 WeakPolarHBondContact CD1-O 3.39Å; L133-L155 HydrophobicContact CD2-CB 4.19Å; L133-L155 HydrophobicContact CD2-CD1 4.15Å; L133-A157 HydrophobicContact CB-CB 4.05Å
134S96.1Very high87.4Confident0 Ų062.3 Ų62.30%034%0.344CS..Hα-helixtrans-73.7-34.4179.2-56.20000113.3T130 K131 D132 L137 H138 Q158T130-S134 WeakPolarHBondContact O-CB 3.26Å; T130-S134 PolarHBondContact O-N 2.97Å; T130-S134 VanDerWaalsContact O-N 3.13Å; T130-S134 PolarHBondContact O-OG 3.44Å; K131-S134 PolarHBondContact O-N 3.44Å; D132-S134 VanDerWaalsContact C-N 3.27Å; D132-S134 PolarHBondContact O-N 3.36Å; S134-L137 PolarHBondContact O-N 3.18Å; S134-H138 WeakPolarHBondContact O-CB 3.33Å; S134-H138 PolarHBondContact O-N 3.4Å; S134-Q158 PolarHBondContact OG-N 3.05Å
135K96.5Very high89.1Confident78 Ų7857.2 Ų57.234%0.33932%0.32SS..Hα-helixtrans-63-40.4167.8-67.7170.9-164.61660111.8K131 D132 H138 S139 F161K131-K135 WeakPolarHBondContact O-CG 3.46Å; K131-K135 PolarHBondContact O-N 3.47Å; D132-K135 PolarHBondContact O-N 2.63Å; D132-K135 WeakPolarHBondContact OD1-CD 3.36Å; D132-K135 VanDerWaalsContact OD1-CE 3.3Å; D132-K135 WeakPolarHBondContact OD1-CE 3.34Å; D132-K135 IonicContact OD1-NZ 2.8Å; D132-K135 PolarHBondContact OD1-NZ 3.08Å; K135-H138 PolarHBondContact O-N 3.35Å; K135-S139 PolarHBondContact O-N 2.88Å; K135-S139 VanDerWaalsContact O-N 3.15Å; K135-S139 PolarHBondContact O-OG 3.06Å; K135-F161 HydrophobicContact CG-CE1 3.99Å; K135-F161 HydrophobicContact CG-CZ 4.02Å
136Q96.9Very high91.2Very high98 Ų9849.5 Ų49.546%0.45828%0.279SS..Hα-helixtrans-63-43.7174.4-73.7168.667.400111.2D132 L133 S139 S140 L152D132-Q136 VanDerWaalsContact O-CG 3.31Å; D132-Q136 WeakPolarHBondContact O-CG 3.42Å; D132-Q136 PolarHBondContact O-N 3.2Å; D132-Q136 PolarHBondContact O-NE2 2.91Å; D132-Q136 VanDerWaalsContact O-NE2 3.11Å; L133-Q136 WeakPolarHBondContact O-CB 3.4Å; L133-Q136 PolarHBondContact O-N 2.76Å; Q136-S139 PolarHBondContact O-N 2.92Å; Q136-S140 WeakPolarHBondContact O-CB 3.47Å; Q136-S140 PolarHBondContact O-N 3.49Å; Q136-S140 PolarHBondContact O-OG 2.91Å; Q136-L152 HydrophobicContact CB-CD1 4.05Å; Q136-L152 HydrophobicContact CB-CD2 3.91Å
137L98Very high92.5Very high0 Ų049.2 Ų49.20%028%0.276CS..Hα-helixtrans-61-49.2176-178.966.9000111.5L133 S134 S139 S140 V141 C149 L152 L153 A157 P170 L186L133-L137 PolarHBondContact O-N 3.27Å; S134-L137 PolarHBondContact O-N 3.18Å; L137-S139 PolarHBondContact O-N 2.88Å; L137-S139 VanDerWaalsContact O-N 3.15Å; L137-S140 PolarHBondContact O-N 3.24Å; L137-S140 VanDerWaalsContact O-N 3.08Å; L137-V141 HydrophobicContact CD1-CG1 3.82Å; L137-V141 HydrophobicContact CG-CG1 4.26Å; L137-V141 WeakPolarHBondContact O-CG1 3.45Å; L137-V141 WeakPolarHBondContact O-CG2 3.34Å; L137-V141 PolarHBondContact O-N 2.98Å; L137-V141 VanDerWaalsContact O-N 3.16Å; L137-C149 HydrophobicContact CD1-CB 3.88Å; L137-L152 HydrophobicContact CB-CD1 4.34Å; L137-L152 HydrophobicContact CD1-CB 4.38Å; L137-L153 HydrophobicContact CD1-CG 4.22Å; L137-L153 HydrophobicContact CD2-CD2 3.63Å; L137-L153 HydrophobicContact CD2-CG 4.17Å; L137-A157 HydrophobicContact CB-CB 4Å; L137-A157 HydrophobicContact CD2-CB 3.9Å; L137-A157 HydrophobicContact CG-CB 4.5Å; L137-P170 HydrophobicContact CD2-CG 4.33Å; L137-P170 HydrophobicContact CG-CB 4.5Å; L137-P170 HydrophobicContact CG-CG 4.36Å; L137-L186 HydrophobicContact CD1-CD2 4.44Å; L137-L186 HydrophobicContact CD2-CD2 4.09Å; L137-L186 HydrophobicContact CG-CD2 4.38Å
138H98.1Very high93.7Very high7 Ų751 Ų513%0.03228%0.282CS..Hα-helixtrans-53.5-33.9175.6-175.9-82.3000113S134 K135 H163 T168 P170S134-H138 WeakPolarHBondContact O-CB 3.33Å; S134-H138 PolarHBondContact O-N 3.4Å; K135-H138 PolarHBondContact O-N 3.35Å; H138-H163 AromaticContact CE1-CD2 3.81Å; H138-H163 AromaticContact CG-CD2 3.87Å; H138-H163 AromaticContact ND1-CD2 3.58Å; H138-T168 PolarHBondContact CD2-O 3.39Å; H138-T168 VanDerWaalsContact CD2-O 3.31Å; H138-T168 PolarHBondContact NE2-O 2.89Å; H138-T168 PolarHBondContact NE2-OG1 2.88Å; H138-T168 VanDerWaalsContact NE2-OG1 3.12Å; H138-P170 HydrophobicContact CB-CG 4.19Å
139S97.1Very high94.9Very high57 Ų5746.2 Ų46.240%0.39925%0.253SS..Hα-helixtrans-80.8-40.7175.2-63.70000113.7K135 Q136 L137 R142K135-S139 PolarHBondContact O-N 2.88Å; K135-S139 VanDerWaalsContact O-N 3.15Å; K135-S139 PolarHBondContact O-OG 3.06Å; Q136-S139 PolarHBondContact O-N 2.92Å; L137-S139 PolarHBondContact O-N 2.88Å; L137-S139 VanDerWaalsContact O-N 3.15Å; S139-R142 WeakPolarHBondContact O-CB 3.49Å
140S97.6Very high95.5Very high28 Ų2844 Ų4420%0.19624%0.24CC..Hα-helixtrans-70.3-36.6-171.7-59.70000113.5Q136 L137 R142 T143Q136-S140 WeakPolarHBondContact O-CB 3.47Å; Q136-S140 PolarHBondContact O-N 3.49Å; Q136-S140 PolarHBondContact O-OG 2.91Å; L137-S140 PolarHBondContact O-N 3.24Å; L137-S140 VanDerWaalsContact O-N 3.08Å; S140-R142 PolarHBondContact O-N 3.16Å; S140-T143 PolarHBondContact O-N 3.42Å; S140-T143 PolarHBondContact O-OG1 3.39Å
141V97.9Very high95.8Very high0 Ų047.4 Ų47.40%025%0.251CS..THydrogen-bonded Turntrans-65.8-4.8-177.8-62.50000114.5L137 T143 C149 P170 V173 A174 Q179 Q182 L186L137-V141 HydrophobicContact CD1-CG1 3.82Å; L137-V141 HydrophobicContact CG-CG1 4.26Å; L137-V141 WeakPolarHBondContact O-CG1 3.45Å; L137-V141 WeakPolarHBondContact O-CG2 3.34Å; L137-V141 PolarHBondContact O-N 2.98Å; L137-V141 VanDerWaalsContact O-N 3.16Å; V141-T143 PolarHBondContact O-N 3Å; V141-C149 HydrophobicContact CG1-CB 4.4Å; V141-C149 VanDerWaalsContact CG1-SG 3.51Å; V141-P170 HydrophobicContact CG1-CB 4.5Å; V141-P170 HydrophobicContact CG2-CB 4.02Å; V141-P170 WeakPolarHBondContact CG2-O 3.48Å; V141-V173 HydrophobicContact CG2-CB 4.03Å; V141-V173 HydrophobicContact CG2-CG1 4.25Å; V141-A174 HydrophobicContact CB-CB 4.34Å; V141-A174 HydrophobicContact CG2-CB 4.45Å; V141-Q179 WeakPolarHBondContact O-CG 3.47Å; V141-Q182 HydrophobicContact CB-CB 4.35Å; V141-L186 HydrophobicContact CB-CD1 4.29Å; V141-L186 HydrophobicContact CG1-CD1 3.96Å; V141-L186 HydrophobicContact CG1-CD2 4.19Å; V141-L186 HydrophobicContact CG1-CG 4.24Å
142R96.9Very high96.1Very high136 Ų13642.2 Ų42.251%0.51323%0.228SC..THydrogen-bonded Turntrans-71.5-12.8167.7-158.3-178.9-54.7129.715112.8S139 S140 V173 A177S139-R142 WeakPolarHBondContact O-CB 3.49Å; S140-R142 PolarHBondContact O-N 3.16Å; R142-V173 HydrophobicContact CB-CG1 3.94Å; R142-V173 HydrophobicContact CG-CG1 4.22Å; R142-A177 HydrophobicContact CG-CB 4.02Å
143T94.9Very high96.2Very high76 Ų7639.6 Ų39.647%0.46621%0.214SC..SBendtrans-118.5159-177.971.90000111S140 V141 S145 Q182S140-T143 PolarHBondContact O-N 3.42Å; S140-T143 PolarHBondContact O-OG1 3.39Å; V141-T143 PolarHBondContact O-N 3Å; T143-S145 PolarHBondContact O-N 3.14Å; T143-S145 VanDerWaalsContact O-N 3.07Å; T143-Q182 WeakPolarHBondContact O-CG 3.44Å; T143-Q182 PolarHBondContact O-NE2 2.88Å
144G92.2Very high96.1Very high55 Ų5539.7 Ų39.757%0.56722%0.216SC*.SBendtrans-72.78.4179.200000115.9L146G144-L146 PolarHBondContact O-N 2.84Å
145S94Very high95.9Very high46 Ų4641.4 Ų41.432%0.32223%0.225SC..  trans-77.782.1-177.5-165.80000112.2T143 E147 T148 C149 Q182T143-S145 PolarHBondContact O-N 3.14Å; T143-S145 VanDerWaalsContact O-N 3.07Å; S145-E147 VanDerWaalsContact C-N 3.28Å; S145-E147 PolarHBondContact O-N 2.83Å; S145-T148 PolarHBondContact O-N 3.49Å; S145-T148 WeakPolarHBondContact OG-CB 3.44Å; S145-T148 PolarHBondContact OG-OG1 2.91Å; S145-C149 PolarHBondContact O-N 3.04Å; S145-Q182 PolarHBondContact O-NE2 3.49Å; S145-Q182 VanDerWaalsContact O-NE2 3.09Å
146L96.4Very high95.6Very high8 Ų838.8 Ų38.84%0.04222%0.22CC..Hα-helixtrans-60.9-36.5177.3-64.9174000112.2M63 T66 L67 G144 C149 L150 L181 Q182 L185M63-L146 HydrophobicContact CG-CD1 4.29Å; M63-L146 HydrophobicContact CG-CD2 4.41Å; T66-L146 HydrophobicContact CG2-CD1 3.7Å; L67-L146 HydrophobicContact CD2-CB 3.56Å; L67-L146 HydrophobicContact CG-CB 4.1Å; L67-L146 HydrophobicContact CG-CD1 4.35Å; G144-L146 PolarHBondContact O-N 2.84Å; L146-C149 PolarHBondContact O-N 3.14Å; L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 PolarHBondContact O-N 3.15Å; L146-L181 HydrophobicContact CD1-CB 3.98Å; L146-L181 HydrophobicContact CD1-CD1 4.24Å; L146-L181 HydrophobicContact CD2-CB 3.9Å; L146-L181 WeakPolarHBondContact CD2-O 3.44Å; L146-L181 HydrophobicContact CG-CB 4.4Å; L146-Q182 HydrophobicContact CD2-CG 4.15Å; L146-L185 HydrophobicContact CB-CD2 4.46Å; L146-L185 HydrophobicContact CD2-CB 4.34Å; L146-L185 HydrophobicContact CD2-CD2 4.06Å
147E95.1Very high95.5Very high56 Ų5634.5 Ų34.526%0.26220%0.202SC..Hα-helixtrans-65.4-40.6-179.5-162.1-122.5119.800111.7I75 S145 C149 L150 R151I75-E147 HydrophobicContact CD1-CG 4.35Å; S145-E147 VanDerWaalsContact C-N 3.28Å; S145-E147 PolarHBondContact O-N 2.83Å; E147-C149 PolarHBondContact O-N 3.18Å; E147-L150 PolarHBondContact O-N 3.32Å; E147-R151 VanDerWaalsContact O-CB 3.22Å; E147-R151 WeakPolarHBondContact O-CB 3.46Å; E147-R151 PolarHBondContact O-N 2.79Å; E147-R151 IonicContact OE1-CZ 2.74Å; E147-R151 VanDerWaalsContact OE1-CZ 3.31Å; E147-R151 IonicContact OE1-NE 3.31Å; E147-R151 PolarHBondContact OE1-NE 3.21Å; E147-R151 VanDerWaalsContact OE1-NE 3.08Å; E147-R151 IonicContact OE1-NH2 2.89Å; E147-R151 PolarHBondContact OE1-NH2 2.9Å
148T95.4Very high95.3Very high59 Ų5938.3 Ų38.336%0.36222%0.22SC..Hα-helixtrans-61.7-44.6174.2-52.90000111.5S145 R151 L152S145-T148 PolarHBondContact O-N 3.49Å; S145-T148 WeakPolarHBondContact OG-CB 3.44Å; S145-T148 PolarHBondContact OG-OG1 2.91Å; T148-R151 PolarHBondContact O-N 2.99Å; T148-L152 HydrophobicContact CG2-CD1 4.28Å; T148-L152 WeakPolarHBondContact O-CG 3.42Å; T148-L152 PolarHBondContact O-N 3.3Å
149C97.6Very high95.2Very high1 Ų138.2 Ų38.21%0.00722%0.22CC..Hα-helixtrans-68.3-43.8179.1-66.30000112L137 V141 S145 L146 E147 R151 L152 L153 Q182 L185L137-C149 HydrophobicContact CD1-CB 3.88Å; V141-C149 HydrophobicContact CG1-CB 4.4Å; V141-C149 VanDerWaalsContact CG1-SG 3.51Å; S145-C149 PolarHBondContact O-N 3.04Å; L146-C149 PolarHBondContact O-N 3.14Å; E147-C149 PolarHBondContact O-N 3.18Å; C149-R151 VanDerWaalsContact C-N 3.31Å; C149-R151 PolarHBondContact O-N 3.49Å; C149-L152 PolarHBondContact O-N 3.22Å; C149-L153 WeakPolarHBondContact O-CB 3.41Å; C149-L153 WeakPolarHBondContact O-CD1 3.49Å; C149-L153 WeakPolarHBondContact O-CG 3.5Å; C149-L153 PolarHBondContact O-N 2.93Å; C149-Q182 VanDerWaalsContact CB-OE1 3.3Å; C149-Q182 VanDerWaalsContact SG-CD 3.59Å; C149-Q182 PolarHBondContact SG-NE2 2.93Å; C149-Q182 PolarHBondContact SG-OE1 3.36Å; C149-L185 HydrophobicContact CB-CD2 3.9Å
150L97.2Very high95.1Very high0 Ų037.4 Ų37.40%021%0.211CC..Hα-helixtrans-60.2-40.9174.3-178.166.1000111.5L67 A72 I75 W76 L146 E147 L153 S154 L185 Y189L67-L150 HydrophobicContact CD1-CD2 4.19Å; L67-L150 HydrophobicContact CD2-CB 4.12Å; L67-L150 HydrophobicContact CD2-CD2 3.79Å; A72-L150 HydrophobicContact CB-CD2 3.65Å; I75-L150 HydrophobicContact CD1-CB 4.14Å; I75-L150 HydrophobicContact CD1-CD2 3.8Å; I75-L150 HydrophobicContact CD1-CG 3.83Å; W76-L150 HydrophobicContact CZ2-CD1 4.25Å; W76-L150 HydrophobicContact CZ2-CD2 4.5Å; W76-L150 HydrophobicContact CZ2-CG 4.45Å; L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 PolarHBondContact O-N 3.15Å; E147-L150 PolarHBondContact O-N 3.32Å; L150-L153 PolarHBondContact O-N 3.43Å; L150-S154 WeakPolarHBondContact O-CB 3.31Å; L150-S154 PolarHBondContact O-N 3.22Å; L150-L185 HydrophobicContact CB-CD2 4.35Å; L150-L185 HydrophobicContact CD1-CD1 4.17Å; L150-Y189 HydrophobicContact CD1-CE2 3.64Å; L150-Y189 WeakPolarHBondContact CD1-OH 3.22Å
151R95.5Very high95Very high87 Ų8737.1 Ų37.133%0.32821%0.206SC..Hα-helixtrans-63.8-44.1176.7-168.4-177.6-69.7-1213.8111.4I75 E147 T148 C149 S154 L155I75-R151 HydrophobicContact CD1-CB 3.94Å; I75-R151 HydrophobicContact CG1-CB 4.36Å; I75-R151 HydrophobicContact CG1-CG 4.47Å; E147-R151 VanDerWaalsContact O-CB 3.22Å; E147-R151 WeakPolarHBondContact O-CB 3.46Å; E147-R151 PolarHBondContact O-N 2.79Å; E147-R151 IonicContact OE1-CZ 2.74Å; E147-R151 VanDerWaalsContact OE1-CZ 3.31Å; E147-R151 IonicContact OE1-NE 3.31Å; E147-R151 PolarHBondContact OE1-NE 3.21Å; E147-R151 VanDerWaalsContact OE1-NE 3.08Å; E147-R151 IonicContact OE1-NH2 2.89Å; E147-R151 PolarHBondContact OE1-NH2 2.9Å; T148-R151 PolarHBondContact O-N 2.99Å; C149-R151 VanDerWaalsContact C-N 3.31Å; C149-R151 PolarHBondContact O-N 3.49Å; R151-S154 WeakPolarHBondContact CA-OG 3.47Å; R151-S154 PolarHBondContact O-N 2.85Å; R151-S154 PolarHBondContact O-OG 3.24Å; R151-L155 WeakPolarHBondContact O-CG 3.37Å; R151-L155 PolarHBondContact O-N 3.31Å
152L95.6Very high94.9Very high12 Ų1241.7 Ų41.76%0.06323%0.226CC..Hα-helixtrans-62.6-45.3174.8-72.8166.9000112.2L133 Q136 L137 T148 C149 S154 L155 G156 A157L133-L152 HydrophobicContact CD2-CD2 3.8Å; Q136-L152 HydrophobicContact CB-CD1 4.05Å; Q136-L152 HydrophobicContact CB-CD2 3.91Å; L137-L152 HydrophobicContact CB-CD1 4.34Å; L137-L152 HydrophobicContact CD1-CB 4.38Å; T148-L152 HydrophobicContact CG2-CD1 4.28Å; T148-L152 WeakPolarHBondContact O-CG 3.42Å; T148-L152 PolarHBondContact O-N 3.3Å; C149-L152 PolarHBondContact O-N 3.22Å; L152-S154 VanDerWaalsContact C-N 3.31Å; L152-S154 PolarHBondContact O-N 3.44Å; L152-L155 PolarHBondContact O-N 3.3Å; L152-L155 VanDerWaalsContact O-N 3.12Å; L152-G156 PolarHBondContact O-N 3.21Å; L152-A157 HydrophobicContact CB-CB 4.05Å; L152-A157 WeakPolarHBondContact O-CB 3.36Å; L152-A157 PolarHBondContact O-N 2.96Å
153L95.4Very high94.9Very high10 Ų1035.8 Ų35.85%0.05221%0.205CC..Hα-helixtrans-59.1-41.7174.4-69.6162.7000111.2L137 C149 L150 L155 G156 A157 A159 L185 Y189L137-L153 HydrophobicContact CD1-CG 4.22Å; L137-L153 HydrophobicContact CD2-CD2 3.63Å; L137-L153 HydrophobicContact CD2-CG 4.17Å; C149-L153 WeakPolarHBondContact O-CB 3.41Å; C149-L153 WeakPolarHBondContact O-CD1 3.49Å; C149-L153 WeakPolarHBondContact O-CG 3.5Å; C149-L153 PolarHBondContact O-N 2.93Å; L150-L153 PolarHBondContact O-N 3.43Å; L153-L155 PolarHBondContact O-N 3.35Å; L153-G156 PolarHBondContact O-N 3.05Å; L153-G156 VanDerWaalsContact O-N 3.13Å; L153-A157 WeakPolarHBondContact CD2-O 3.35Å; L153-A159 HydrophobicContact CD2-CB 4.1Å; L153-L185 HydrophobicContact CD1-CD1 4.2Å; L153-L185 HydrophobicContact CD1-CD2 4.32Å; L153-L185 HydrophobicContact CD1-CG 3.98Å; L153-Y189 HydrophobicContact CB-CD1 3.88Å; L153-Y189 HydrophobicContact CB-CE1 3.77Å; L153-Y189 HydrophobicContact CB-CG 4.29Å; L153-Y189 HydrophobicContact CD1-CD1 4.25Å; L153-Y189 HydrophobicContact CD1-CD2 3.79Å; L153-Y189 HydrophobicContact CD1-CE2 4.2Å; L153-Y189 HydrophobicContact CD1-CG 3.78Å; L153-Y189 HydrophobicContact CD2-CD1 3.98Å; L153-Y189 HydrophobicContact CD2-CG 4.02Å; L153-Y189 HydrophobicContact CG-CD1 4.25Å; L153-Y189 HydrophobicContact CG-CG 4.25Å
154S93.1Very high94.9Very high19 Ų1936.5 Ų36.513%0.13321%0.21CC..Hα-helixtrans-66.3-15.7176.977.70000114.9I75 L150 R151 L152I75-S154 WeakPolarHBondContact CG2-OG 3.16Å; L150-S154 WeakPolarHBondContact O-CB 3.31Å; L150-S154 PolarHBondContact O-N 3.22Å; R151-S154 WeakPolarHBondContact CA-OG 3.47Å; R151-S154 PolarHBondContact O-N 2.85Å; R151-S154 PolarHBondContact O-OG 3.24Å; L152-S154 VanDerWaalsContact C-N 3.31Å; L152-S154 PolarHBondContact O-N 3.44Å
155L91.8Very high95Very high36 Ų3640.4 Ų40.419%0.18821%0.214CC..THydrogen-bonded Turntrans-96.1-4.6176.3-67.6169.5000113.3K119 C122 L133 R151 L152 L153K119-L155 HydrophobicContact CB-CD2 3.93Å; K119-L155 HydrophobicContact CD-CD2 4.47Å; K119-L155 WeakPolarHBondContact O-CD2 3.45Å; C122-L155 PolarHBondContact N-O 2.86Å; C122-L155 VanDerWaalsContact N-O 3.09Å; L133-L155 HydrophobicContact CD1-CB 3.82Å; L133-L155 WeakPolarHBondContact CD1-O 3.39Å; L133-L155 HydrophobicContact CD2-CB 4.19Å; L133-L155 HydrophobicContact CD2-CD1 4.15Å; R151-L155 WeakPolarHBondContact O-CG 3.37Å; R151-L155 PolarHBondContact O-N 3.31Å; L152-L155 PolarHBondContact O-N 3.3Å; L152-L155 VanDerWaalsContact O-N 3.12Å; L153-L155 PolarHBondContact O-N 3.35Å
156G91.2Very high95Very high23 Ų2343.5 Ų43.524%0.23722%0.221CC..THydrogen-bonded Turntrans108.710.4-17900000115.6L152 L153 Q158L152-G156 PolarHBondContact O-N 3.21Å; L153-G156 PolarHBondContact O-N 3.05Å; L153-G156 VanDerWaalsContact O-N 3.13Å; G156-Q158 PolarHBondContact O-N 3.43Å
157A94.5Very high95Very high8 Ų843.1 Ų43.17%0.06622%0.22CC..  trans-62.3134.1172.700000111.1L133 L137 L152 L153L133-A157 HydrophobicContact CB-CB 4.05Å; L137-A157 HydrophobicContact CB-CB 4Å; L137-A157 HydrophobicContact CD2-CB 3.9Å; L137-A157 HydrophobicContact CG-CB 4.5Å; L152-A157 HydrophobicContact CB-CB 4.05Å; L152-A157 WeakPolarHBondContact O-CB 3.36Å; L152-A157 PolarHBondContact O-N 2.96Å; L153-A157 WeakPolarHBondContact CD2-O 3.35Å
158Q94.1Very high95.2Very high81 Ų8141.2 Ų41.238%0.37921%0.212SC..  trans-89.6119.7-176.1-65.2178-1200111.4T130 S134 G156 N160 F161T130-Q158 HydrophobicContact CG2-CG 4.34Å; S134-Q158 PolarHBondContact OG-N 3.05Å; G156-Q158 PolarHBondContact O-N 3.43Å; Q158-N160 PolarHBondContact O-N 3.16Å; Q158-F161 HydrophobicContact CB-CB 4.16Å; Q158-F161 WeakPolarHBondContact O-CB 3.48Å; Q158-F161 PolarHBondContact O-N 3.08Å
159A95.9Very high95.3Very high4 Ų438.7 Ų38.73%0.03320%0.196CC..THydrogen-bonded Turntrans-62-30.917900000113.3L153 L186 Y189 A191L153-A159 HydrophobicContact CD2-CB 4.1Å; A159-L186 HydrophobicContact CB-CD2 4.04Å; A159-Y189 WeakPolarHBondContact CB-O 3.36Å; A159-A191 HydrophobicContact CB-CB 4.15Å
160N94.6Very high95.3Very high40 Ų4038.6 Ų38.621%0.21420%0.196CC..THydrogen-bonded Turntrans-887.6175.5-93.1-29.8000114.7Q158 F162 G190 A191 D192Q158-N160 PolarHBondContact O-N 3.16Å; N160-F162 PolarHBondContact O-N 3.15Å; N160-F162 VanDerWaalsContact O-N 3.13Å; N160-G190 PolarHBondContact ND2-O 2.89Å; N160-A191 WeakPolarHBondContact OD1-CA 3.19Å; N160-D192 PolarHBondContact OD1-N 3.35Å
161F96Very high95.4Very high22 Ų2238.6 Ų38.610%0.09620%0.196CC..  trans-54.9118.8-175.9175-110.7000112.9K135 Q158 H163 T169 P170K135-F161 HydrophobicContact CG-CE1 3.99Å; K135-F161 HydrophobicContact CG-CZ 4.02Å; Q158-F161 HydrophobicContact CB-CB 4.16Å; Q158-F161 WeakPolarHBondContact O-CB 3.48Å; Q158-F161 PolarHBondContact O-N 3.08Å; F161-H163 HydrophobicContact CD1-CB 4.3Å; F161-H163 HydrophobicContact CE1-CB 3.82Å; F161-H163 PolarHBondContact O-N 2.71Å; F161-T169 VanDerWaalsContact O-CA 3.32Å; F161-T169 WeakPolarHBondContact O-CA 3.39Å; F161-P170 WeakPolarHBondContact O-CD 3.29Å
162F96.4Very high95.5Very high96 Ų9634.6 Ų34.642%0.42118%0.181SC..  trans-86.5108.5173.3-169.3-89000110N160 P164 G167 T169N160-F162 PolarHBondContact O-N 3.15Å; N160-F162 VanDerWaalsContact O-N 3.13Å; F162-P164 WeakPolarHBondContact O-CD 3.43Å; F162-G167 VanDerWaalsContact CZ-C 3.43Å; F162-G167 WeakPolarHBondContact CZ-O 3.45Å; F162-T169 HydrophobicContact CD2-CG2 4.2Å
163H96.4Very high95.7Very high13 Ų1335 Ų356%0.0618%0.184CC..BIsolated β-bridgetrans-73.6116.6-177.3-171.3-34.9000110.4H138 F161 E165 K166 G167 T168H138-H163 AromaticContact CE1-CD2 3.81Å; H138-H163 AromaticContact CG-CD2 3.87Å; H138-H163 AromaticContact ND1-CD2 3.58Å; F161-H163 HydrophobicContact CD1-CB 4.3Å; F161-H163 HydrophobicContact CE1-CB 3.82Å; F161-H163 PolarHBondContact O-N 2.71Å; H163-E165 IonicContact CE1-OE2 2.7Å; H163-E165 PolarHBondContact ND1-N 3.31Å; H163-E165 PolarHBondContact O-N 2.83Å; H163-K166 HydrophobicContact CB-CB 4.2Å; H163-K166 PolarHBondContact O-N 3.31Å; H163-G167 PolarHBondContact O-N 3.41Å; H163-T168 WeakPolarHBondContact CB-O 3.3Å; H163-T168 PolarHBondContact N-O 3.07Å
164P93.9Very high95.8Very high90 Ų9034.5 Ų34.558%0.58418%0.181SC*.G310 helixtrans-60.5-51.6-17020.6-32.5000113F162 K166F162-P164 WeakPolarHBondContact O-CD 3.43Å; P164-K166 VanDerWaalsContact C-N 3.29Å; P164-K166 PolarHBondContact O-N 3.5Å
165E94.2Very high96.1Very high138 Ų13833.6 Ų33.665%0.64518%0.175SC*.G310 helixtrans-67.3-22.3179.4-57.8166-150.900115.4H163H163-E165 IonicContact CE1-OE2 2.7Å; H163-E165 PolarHBondContact ND1-N 3.31Å; H163-E165 PolarHBondContact O-N 2.83Å
166K95.1Very high96.4Very high110 Ų11038.2 Ų38.248%0.47819%0.194SC..G310 helixtrans-110.1-3.2-174-48.9-53.9-178.7-125.90112.4H163 P164 T168H163-K166 HydrophobicContact CB-CB 4.2Å; H163-K166 PolarHBondContact O-N 3.31Å; P164-K166 VanDerWaalsContact C-N 3.29Å; P164-K166 PolarHBondContact O-N 3.5Å; K166-T168 WeakPolarHBondContact O-CG2 3.22Å; K166-T168 PolarHBondContact O-N 3.4Å; K166-T168 VanDerWaalsContact O-N 3.07Å; K166-T168 PolarHBondContact O-OG1 3.42Å
167G96.7Very high96.7Very high1 Ų138.6 Ų38.61%0.0119%0.194CC..THydrogen-bonded Turntrans53.727.4176.500000115.5F162 H163 D197 I198F162-G167 VanDerWaalsContact CZ-C 3.43Å; F162-G167 WeakPolarHBondContact CZ-O 3.45Å; H163-G167 PolarHBondContact O-N 3.41Å; G167-D197 CarbonylContact O-C 3.55Å; G167-D197 VanDerWaalsContact O-CA 3.31Å; G167-D197 WeakPolarHBondContact O-CA 3.39Å; G167-D197 VanDerWaalsContact O-CB 3.3Å; G167-D197 WeakPolarHBondContact O-CB 3.31Å; G167-I198 PolarHBondContact O-N 3.09Å
168T97.8Very high96.9Very high16 Ų1639.2 Ų39.210%0.09820%0.202CC..BIsolated β-bridgetrans-145.7153.3-166.539.90000111.5H138 H163 K166 H172 D197H138-T168 PolarHBondContact CD2-O 3.39Å; H138-T168 VanDerWaalsContact CD2-O 3.31Å; H138-T168 PolarHBondContact NE2-O 2.89Å; H138-T168 PolarHBondContact NE2-OG1 2.88Å; H138-T168 VanDerWaalsContact NE2-OG1 3.12Å; H163-T168 WeakPolarHBondContact CB-O 3.3Å; H163-T168 PolarHBondContact N-O 3.07Å; K166-T168 WeakPolarHBondContact O-CG2 3.22Å; K166-T168 PolarHBondContact O-N 3.4Å; K166-T168 VanDerWaalsContact O-N 3.07Å; K166-T168 PolarHBondContact O-OG1 3.42Å; T168-H172 HydrophobicContact CG2-CB 4.06Å; T168-D197 HydrophobicContact CG2-CB 3.85Å
169T98.1Very high97.1Very high5 Ų537.9 Ų37.93%0.03120%0.195CC..  trans-94.716317273.70000112F161 F162 L171 H172 V173F161-T169 VanDerWaalsContact O-CA 3.32Å; F161-T169 WeakPolarHBondContact O-CA 3.39Å; F162-T169 HydrophobicContact CD2-CG2 4.2Å; T169-L171 PolarHBondContact O-N 3.11Å; T169-L171 VanDerWaalsContact O-N 3.16Å; T169-H172 PolarHBondContact N-ND1 3.42Å; T169-H172 WeakPolarHBondContact O-CB 3.43Å; T169-H172 PolarHBondContact O-N 3.48Å; T169-H172 PolarHBondContact OG1-ND1 3.19Å; T169-V173 PolarHBondContact O-N 2.83Å
170P98.6Very high97.2Very high0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-49.5-37.9173.4-29.333.9000113.7L137 H138 V141 F161 H172 V173 A174 L186L137-P170 HydrophobicContact CD2-CG 4.33Å; L137-P170 HydrophobicContact CG-CB 4.5Å; L137-P170 HydrophobicContact CG-CG 4.36Å; H138-P170 HydrophobicContact CB-CG 4.19Å; V141-P170 HydrophobicContact CG1-CB 4.5Å; V141-P170 HydrophobicContact CG2-CB 4.02Å; V141-P170 WeakPolarHBondContact CG2-O 3.48Å; F161-P170 WeakPolarHBondContact O-CD 3.29Å; P170-H172 VanDerWaalsContact C-N 3.32Å; P170-H172 PolarHBondContact O-N 2.91Å; P170-V173 WeakPolarHBondContact O-CB 3.22Å; P170-V173 PolarHBondContact O-N 3.13Å; P170-A174 PolarHBondContact O-N 3.02Å; P170-L186 HydrophobicContact CB-CD1 3.85Å; P170-L186 HydrophobicContact CB-CD2 3.81Å
171L98.4Very high97.4Very high0 Ų038.6 Ų38.60%020%0.198CC..Hα-helixtrans-65.9-33.4-179.1-168.859.7000112.6T169 V173 A175 A183 L186 V187 A191 P193 P203 L219T169-L171 PolarHBondContact O-N 3.11Å; T169-L171 VanDerWaalsContact O-N 3.16Å; L171-V173 VanDerWaalsContact C-N 3.33Å; L171-A175 WeakPolarHBondContact O-CB 3.37Å; L171-A175 PolarHBondContact O-N 3.29Å; L171-A183 HydrophobicContact CD1-CB 3.69Å; L171-L186 HydrophobicContact CB-CD1 4.3Å; L171-L186 HydrophobicContact CD1-CB 4.24Å; L171-L186 HydrophobicContact CD1-CD1 4.18Å; L171-V187 HydrophobicContact CD1-CG2 4.39Å; L171-V187 HydrophobicContact CD2-CG2 4.17Å; L171-A191 HydrophobicContact CB-CB 4.1Å; L171-A191 HydrophobicContact CD2-CB 3.88Å; L171-A191 HydrophobicContact CG-CB 4.44Å; L171-P193 HydrophobicContact CD2-CB 4.28Å; L171-P193 HydrophobicContact CD2-CG 4.32Å; L171-P203 HydrophobicContact CB-CG 4.16Å; L171-P203 HydrophobicContact CD2-CB 4.38Å; L171-P203 HydrophobicContact CD2-CG 4.03Å; L171-P203 HydrophobicContact CG-CB 3.94Å; L171-P203 HydrophobicContact CG-CG 3.88Å; L171-L219 HydrophobicContact CD1-CD2 4.1Å; L171-L219 HydrophobicContact CD2-CD2 4.18Å; L171-L219 HydrophobicContact CG-CD2 4.27Å
172H98.5Very high97.5Very high3 Ų337.6 Ų37.61%0.01419%0.194CC..Hα-helixtrans-64-38.5171.4-67.182.5000111.9T168 T169 P170 K176 A195 D197 R201 P203 Y206T168-H172 HydrophobicContact CG2-CB 4.06Å; T169-H172 PolarHBondContact N-ND1 3.42Å; T169-H172 WeakPolarHBondContact O-CB 3.43Å; T169-H172 PolarHBondContact O-N 3.48Å; T169-H172 PolarHBondContact OG1-ND1 3.19Å; P170-H172 VanDerWaalsContact C-N 3.32Å; P170-H172 PolarHBondContact O-N 2.91Å; H172-K176 VanDerWaalsContact O-CB 3.29Å; H172-K176 WeakPolarHBondContact O-CB 3.39Å; H172-K176 PolarHBondContact O-N 2.8Å; H172-A195 PolarHBondContact CE1-O 2.96Å; H172-A195 PolarHBondContact NE2-O 2.79Å; H172-D197 PolarHBondContact NE2-N 2.95Å; H172-R201 PolarHBondContact NE2-O 2.84Å; H172-R201 VanDerWaalsContact NE2-O 3.16Å; H172-P203 WeakPolarHBondContact NE2-CD 3.38Å; H172-Y206 HydrophobicContact CB-CD2 4.47Å; H172-Y206 AromaticContact CD2-CD2 3.73Å; H172-Y206 AromaticContact CD2-CE2 3.74Å
173V98.4Very high97.6Very high19 Ų1933.2 Ų33.212%0.11518%0.175CC..Hα-helixtrans-69.8-44.4178.6-175.70000110.9V141 R142 T169 P170 L171 A177V141-V173 HydrophobicContact CG2-CB 4.03Å; V141-V173 HydrophobicContact CG2-CG1 4.25Å; R142-V173 HydrophobicContact CB-CG1 3.94Å; R142-V173 HydrophobicContact CG-CG1 4.22Å; T169-V173 PolarHBondContact O-N 2.83Å; P170-V173 WeakPolarHBondContact O-CB 3.22Å; P170-V173 PolarHBondContact O-N 3.13Å; L171-V173 VanDerWaalsContact C-N 3.33Å; V173-A177 VanDerWaalsContact O-CB 3.28Å; V173-A177 WeakPolarHBondContact O-CB 3.43Å; V173-A177 PolarHBondContact O-N 3.41Å; V173-A177 VanDerWaalsContact O-N 3.14Å
174A98.6Very high97.7Very high0 Ų032.8 Ų32.80%017%0.173CC..Hα-helixtrans-61-45.8175.200000111.6V141 P170 A177 G178 Q179 Q182 L186V141-A174 HydrophobicContact CB-CB 4.34Å; V141-A174 HydrophobicContact CG2-CB 4.45Å; P170-A174 PolarHBondContact O-N 3.02Å; A174-A177 CarbonylContact O-C 3.59Å; A174-A177 PolarHBondContact O-N 2.87Å; A174-G178 PolarHBondContact O-N 2.65Å; A174-G178 VanDerWaalsContact O-N 3.11Å; A174-Q179 HydrophobicContact CB-CB 4.36Å; A174-Q179 PolarHBondContact O-N 2.8Å; A174-Q182 HydrophobicContact CB-CB 4.13Å; A174-L186 HydrophobicContact CB-CD1 4.05Å
175A98.5Very high97.9Very high0 Ų028.5 Ų28.50%015%0.145CC..Hα-helixtrans-63.8-44.8179.200000113L171 A177 G178 P203 A207 H212 L219L171-A175 WeakPolarHBondContact O-CB 3.37Å; L171-A175 PolarHBondContact O-N 3.29Å; A175-A177 PolarHBondContact O-N 2.92Å; A175-G178 PolarHBondContact O-N 3.19Å; A175-P203 HydrophobicContact CB-CB 3.87Å; A175-P203 WeakPolarHBondContact CB-O 3.44Å; A175-A207 HydrophobicContact CB-CB 4.25Å; A175-H212 PolarHBondContact O-CD2 3.45Å; A175-L219 HydrophobicContact CB-CD1 3.98Å
176K98.1Very high98.1Very high134 Ų13422 Ų2258%0.58312%0.115SC*.Hα-helixtrans-64.5-23.5174.9-170.9177.8-178.7179.70113.3H172 Y206H172-K176 VanDerWaalsContact O-CB 3.29Å; H172-K176 WeakPolarHBondContact O-CB 3.39Å; H172-K176 PolarHBondContact O-N 2.8Å; K176-Y206 HydrophobicContact CB-CD1 4.01Å; K176-Y206 HydrophobicContact CB-CG 4.34Å; K176-Y206 HydrophobicContact CD-CD1 3.75Å; K176-Y206 HydrophobicContact CD-CE1 3.95Å; K176-Y206 HydrophobicContact CG-CD1 3.93Å
177A98Very high98.3Very high30 Ų3017.1 Ų17.125%0.24810%0.095CC..THydrogen-bonded Turntrans-102.78-178.700000113.8R142 V173 A174 A175 Q179R142-A177 HydrophobicContact CG-CB 4.02Å; V173-A177 VanDerWaalsContact O-CB 3.28Å; V173-A177 WeakPolarHBondContact O-CB 3.43Å; V173-A177 PolarHBondContact O-N 3.41Å; V173-A177 VanDerWaalsContact O-N 3.14Å; A174-A177 CarbonylContact O-C 3.59Å; A174-A177 PolarHBondContact O-N 2.87Å; A175-A177 PolarHBondContact O-N 2.92Å; A177-Q179 HydrophobicContact CB-CG 3.95Å; A177-Q179 PolarHBondContact O-N 2.97Å; A177-Q179 PolarHBondContact O-NE2 3.47Å
178G98.1Very high98.3Very high22 Ų2217.5 Ų17.523%0.22710%0.097CC..THydrogen-bonded Turntrans65.516.2179.100000114.8A174 A175 I180 H212A174-G178 PolarHBondContact O-N 2.65Å; A174-G178 VanDerWaalsContact O-N 3.11Å; A175-G178 PolarHBondContact O-N 3.19Å; G178-I180 VanDerWaalsContact C-N 3.27Å; G178-I180 PolarHBondContact O-N 3.16Å; G178-H212 WeakPolarHBondContact CA-CD2 3.45Å; G178-H212 WeakPolarHBondContact CA-NE2 3.43Å; G178-H212 PolarHBondContact N-CD2 2.96Å; G178-H212 VanDerWaalsContact N-CD2 3.31Å; G178-H212 PolarHBondContact N-NE2 3Å
179Q98.4Very high98.2Very high53 Ų5319.7 Ų19.725%0.24810%0.104CC..  trans-81.870-172.3-60.9-56.8-57.800111.2V141 A174 A177 L181 Q182 A183V141-Q179 WeakPolarHBondContact O-CG 3.47Å; A174-Q179 HydrophobicContact CB-CB 4.36Å; A174-Q179 PolarHBondContact O-N 2.8Å; A177-Q179 HydrophobicContact CB-CG 3.95Å; A177-Q179 PolarHBondContact O-N 2.97Å; A177-Q179 PolarHBondContact O-NE2 3.47Å; Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-L181 PolarHBondContact O-N 2.97Å; Q179-Q182 HydrophobicContact CB-CB 3.81Å; Q179-Q182 HydrophobicContact CB-CG 3.82Å; Q179-Q182 WeakPolarHBondContact O-CA 3.41Å; Q179-Q182 WeakPolarHBondContact O-CB 3.47Å; Q179-Q182 PolarHBondContact O-N 3.25Å; Q179-A183 PolarHBondContact O-N 2.9Å
180I98.5Very high98Very high28 Ų2819.7 Ų19.714%0.14411%0.105CC..Hα-helixtrans-56.8-39.5-173.2-172.4151.8000113.7T59 G178 Q182 A183 E184 E214 L215 R218T59-I180 HydrophobicContact CG2-CD1 3.59Å; T59-I180 HydrophobicContact CG2-CG1 3.85Å; G178-I180 VanDerWaalsContact C-N 3.27Å; G178-I180 PolarHBondContact O-N 3.16Å; I180-Q182 VanDerWaalsContact C-N 3.35Å; I180-Q182 PolarHBondContact O-N 3.17Å; I180-A183 WeakPolarHBondContact O-CB 3.45Å; I180-A183 PolarHBondContact O-N 3.29Å; I180-E184 WeakPolarHBondContact O-CG 3.26Å; I180-E184 PolarHBondContact O-N 2.92Å; I180-E214 HydrophobicContact CD1-CG 3.97Å; I180-L215 HydrophobicContact CB-CD1 4.12Å; I180-L215 HydrophobicContact CB-CD2 4.46Å; I180-L215 HydrophobicContact CD1-CB 4.17Å; I180-L215 HydrophobicContact CD1-CD1 4.27Å; I180-L215 HydrophobicContact CG1-CD1 3.93Å; I180-R218 HydrophobicContact CD1-CB 4.41Å
181L98.6Very high97.9Very high30 Ų3019.8 Ų19.816%0.15711%0.105CC..Hα-helixtrans-71-29.1176.8-51-175.7000112.7T59 Q62 M63 L146 Q179 L185T59-L181 WeakPolarHBondContact O-CD2 3.35Å; Q62-L181 HydrophobicContact CB-CD2 4.11Å; Q62-L181 HydrophobicContact CG-CD1 4.18Å; Q62-L181 HydrophobicContact CG-CD2 4.06Å; M63-L181 HydrophobicContact CB-CB 4.25Å; M63-L181 HydrophobicContact CB-CD2 4.12Å; M63-L181 HydrophobicContact CG-CB 4.3Å; M63-L181 VanDerWaalsContact CG-O 3.29Å; M63-L181 WeakPolarHBondContact CG-O 3.49Å; L146-L181 HydrophobicContact CD1-CB 3.98Å; L146-L181 HydrophobicContact CD1-CD1 4.24Å; L146-L181 HydrophobicContact CD2-CB 3.9Å; L146-L181 WeakPolarHBondContact CD2-O 3.44Å; L146-L181 HydrophobicContact CG-CB 4.4Å; Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-L181 PolarHBondContact O-N 2.97Å; L181-L185 WeakPolarHBondContact O-CB 3.24Å; L181-L185 PolarHBondContact O-N 3.11Å; L181-L185 VanDerWaalsContact O-N 3.11Å
182Q98.6Very high97.7Very high1 Ų121 Ų211%0.00511%0.112CC..Hα-helixtrans-71.8-36172-65.9-74.911.700110.8V141 T143 S145 L146 C149 A174 Q179 I180 L185 L186V141-Q182 HydrophobicContact CB-CB 4.35Å; T143-Q182 WeakPolarHBondContact O-CG 3.44Å; T143-Q182 PolarHBondContact O-NE2 2.88Å; S145-Q182 PolarHBondContact O-NE2 3.49Å; S145-Q182 VanDerWaalsContact O-NE2 3.09Å; L146-Q182 HydrophobicContact CD2-CG 4.15Å; C149-Q182 VanDerWaalsContact CB-OE1 3.3Å; C149-Q182 VanDerWaalsContact SG-CD 3.59Å; C149-Q182 PolarHBondContact SG-NE2 2.93Å; C149-Q182 PolarHBondContact SG-OE1 3.36Å; A174-Q182 HydrophobicContact CB-CB 4.13Å; Q179-Q182 HydrophobicContact CB-CB 3.81Å; Q179-Q182 HydrophobicContact CB-CG 3.82Å; Q179-Q182 WeakPolarHBondContact O-CA 3.41Å; Q179-Q182 WeakPolarHBondContact O-CB 3.47Å; Q179-Q182 PolarHBondContact O-N 3.25Å; I180-Q182 VanDerWaalsContact C-N 3.35Å; I180-Q182 PolarHBondContact O-N 3.17Å; Q182-L185 PolarHBondContact O-N 3.03Å; Q182-L186 VanDerWaalsContact O-CB 3.31Å; Q182-L186 WeakPolarHBondContact O-CB 3.41Å; Q182-L186 WeakPolarHBondContact O-CG 3.5Å; Q182-L186 PolarHBondContact O-N 3.28Å
183A98.4Very high97.6Very high4 Ų421.1 Ų21.13%0.03311%0.113CC..Hα-helixtrans-62.9-45.9174.100000111.7L171 Q179 I180 L185 L186 V187 L215L171-A183 HydrophobicContact CD1-CB 3.69Å; Q179-A183 PolarHBondContact O-N 2.9Å; I180-A183 WeakPolarHBondContact O-CB 3.45Å; I180-A183 PolarHBondContact O-N 3.29Å; A183-L185 PolarHBondContact O-N 3.28Å; A183-L186 PolarHBondContact O-N 3.13Å; A183-V187 WeakPolarHBondContact O-CB 3.49Å; A183-V187 VanDerWaalsContact O-CG2 3.29Å; A183-V187 WeakPolarHBondContact O-CG2 3.48Å; A183-V187 PolarHBondContact O-N 3.24Å; A183-L215 HydrophobicContact CB-CD1 3.75Å
184E98.4Very high97.4Very high4 Ų420.4 Ų20.42%0.01911%0.11CC..Hα-helixtrans-57.6-48.1173.4-66.6-80.9-157.900111.9T59 L60 M63 I180 L186 V187 V188 R218T59-E184 VanDerWaalsContact CB-OE1 3.24Å; T59-E184 WeakPolarHBondContact CB-OE1 3.46Å; T59-E184 PolarHBondContact OG1-OE1 3.45Å; L60-E184 HydrophobicContact CD1-CB 4.29Å; L60-E184 PolarHBondContact N-OE1 3.42Å; L60-E184 VanDerWaalsContact N-OE1 3.12Å; M63-E184 HydrophobicContact CB-CB 4.12Å; M63-E184 HydrophobicContact CE-CB 4.4Å; M63-E184 HydrophobicContact CG-CB 4.03Å; I180-E184 WeakPolarHBondContact O-CG 3.26Å; I180-E184 PolarHBondContact O-N 2.92Å; E184-L186 PolarHBondContact O-N 3.12Å; E184-V187 PolarHBondContact O-N 2.55Å; E184-V188 WeakPolarHBondContact O-CB 3.41Å; E184-V188 VanDerWaalsContact O-CG2 3.26Å; E184-V188 WeakPolarHBondContact O-CG2 3.27Å; E184-V188 PolarHBondContact O-N 3.15Å; E184-R218 IonicContact OE1-CZ 3.46Å; E184-R218 IonicContact OE1-NE 2.66Å; E184-R218 PolarHBondContact OE1-NE 3.33Å; E184-R218 IonicContact OE1-NH2 3.37Å; E184-R218 PolarHBondContact OE1-NH2 3.13Å; E184-R218 IonicContact OE2-CZ 2.74Å; E184-R218 IonicContact OE2-NE 3.12Å; E184-R218 IonicContact OE2-NH2 3.89Å; E184-R218 PolarHBondContact OE2-NH2 2.86Å
185L98.5Very high97.2Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-61.2-43.3178.2176.259.2000112.3M63 L67 L146 C149 L150 L153 L181 Q182 A183 Y189M63-L185 HydrophobicContact CG-CB 4.24Å; M63-L185 HydrophobicContact SD-CB 4.11Å; M63-L185 HydrophobicContact SD-CD1 4.32Å; L67-L185 HydrophobicContact CD1-CD1 4.21Å; L146-L185 HydrophobicContact CB-CD2 4.46Å; L146-L185 HydrophobicContact CD2-CB 4.34Å; L146-L185 HydrophobicContact CD2-CD2 4.06Å; C149-L185 HydrophobicContact CB-CD2 3.9Å; L150-L185 HydrophobicContact CB-CD2 4.35Å; L150-L185 HydrophobicContact CD1-CD1 4.17Å; L153-L185 HydrophobicContact CD1-CD1 4.2Å; L153-L185 HydrophobicContact CD1-CD2 4.32Å; L153-L185 HydrophobicContact CD1-CG 3.98Å; L181-L185 WeakPolarHBondContact O-CB 3.24Å; L181-L185 PolarHBondContact O-N 3.11Å; L181-L185 VanDerWaalsContact O-N 3.11Å; Q182-L185 PolarHBondContact O-N 3.03Å; A183-L185 PolarHBondContact O-N 3.28Å; L185-Y189 HydrophobicContact CD1-CD2 3.82Å; L185-Y189 HydrophobicContact CD1-CE2 3.94Å; L185-Y189 PolarHBondContact O-N 3.4Å
186L98.4Very high97Very high1 Ų125.1 Ų25.11%0.00514%0.136CC..Hα-helixtrans-64.9-43.6177.6-77171.1000112.1L137 V141 A159 P170 L171 A174 Q182 A183 E184 Y189 G190 A191L137-L186 HydrophobicContact CD1-CD2 4.44Å; L137-L186 HydrophobicContact CD2-CD2 4.09Å; L137-L186 HydrophobicContact CG-CD2 4.38Å; V141-L186 HydrophobicContact CB-CD1 4.29Å; V141-L186 HydrophobicContact CG1-CD1 3.96Å; V141-L186 HydrophobicContact CG1-CD2 4.19Å; V141-L186 HydrophobicContact CG1-CG 4.24Å; A159-L186 HydrophobicContact CB-CD2 4.04Å; P170-L186 HydrophobicContact CB-CD1 3.85Å; P170-L186 HydrophobicContact CB-CD2 3.81Å; L171-L186 HydrophobicContact CB-CD1 4.3Å; L171-L186 HydrophobicContact CD1-CB 4.24Å; L171-L186 HydrophobicContact CD1-CD1 4.18Å; A174-L186 HydrophobicContact CB-CD1 4.05Å; Q182-L186 VanDerWaalsContact O-CB 3.31Å; Q182-L186 WeakPolarHBondContact O-CB 3.41Å; Q182-L186 WeakPolarHBondContact O-CG 3.5Å; Q182-L186 PolarHBondContact O-N 3.28Å; A183-L186 PolarHBondContact O-N 3.13Å; E184-L186 PolarHBondContact O-N 3.12Å; L186-Y189 CarbonylContact O-C 3.6Å; L186-Y189 PolarHBondContact O-N 3.31Å; L186-Y189 VanDerWaalsContact O-N 3.14Å; L186-G190 PolarHBondContact O-N 2.74Å; L186-G190 VanDerWaalsContact O-N 3.13Å; L186-A191 HydrophobicContact CB-CB 3.8Å; L186-A191 VanDerWaalsContact O-CB 3.27Å; L186-A191 WeakPolarHBondContact O-CB 3.41Å; L186-A191 PolarHBondContact O-N 3.49Å
187V97.9Very high96.9Very high9 Ų919 Ų196%0.05511%0.11CC..Hα-helixtrans-62.1-47.9177.3168.50000110.2L171 A183 E184 Y189 G190 P193 C222 Y542L171-V187 HydrophobicContact CD1-CG2 4.39Å; L171-V187 HydrophobicContact CD2-CG2 4.17Å; A183-V187 WeakPolarHBondContact O-CB 3.49Å; A183-V187 VanDerWaalsContact O-CG2 3.29Å; A183-V187 WeakPolarHBondContact O-CG2 3.48Å; A183-V187 PolarHBondContact O-N 3.24Å; E184-V187 PolarHBondContact O-N 2.55Å; V187-Y189 PolarHBondContact O-N 2.84Å; V187-G190 PolarHBondContact O-N 2.77Å; V187-P193 HydrophobicContact CG2-CG 4.08Å; V187-C222 HydrophobicContact CG1-CB 4.11Å; V187-C222 HydrophobicContact CG2-CB 4.17Å; V187-Y542 HydrophobicContact CG1-CE2 3.83Å; V187-Y542 WeakPolarHBondContact O-CD2 3.41Å; V187-Y542 WeakPolarHBondContact O-CE2 3.45Å
188V97.1Very high96.8Very high9 Ų923.3 Ų23.36%0.05513%0.127CC..Hα-helixtrans-54.3-25174.4164.90000113.3I24 N25 L60 M63 E184 Y542I24-V188 HydrophobicContact CG2-CG1 4.03Å; I24-V188 HydrophobicContact CG2-CG2 3.79Å; N25-V188 HydrophobicContact CB-CG1 3.8Å; L60-V188 HydrophobicContact CD1-CG2 3.76Å; M63-V188 HydrophobicContact CE-CG2 4.19Å; E184-V188 WeakPolarHBondContact O-CB 3.41Å; E184-V188 VanDerWaalsContact O-CG2 3.26Å; E184-V188 WeakPolarHBondContact O-CG2 3.27Å; E184-V188 PolarHBondContact O-N 3.15Å; V188-Y542 WeakPolarHBondContact O-CE1 3.24Å
189Y96.5Very high96.7Very high61 Ų6126.9 Ų26.924%0.23914%0.141CC..THydrogen-bonded Turntrans-105.37.8-179.1-96.3-89000115.1N25 L150 L153 A159 L185 L186 V187N25-Y189 HydrophobicContact CB-CE2 4.34Å; N25-Y189 WeakPolarHBondContact O-CE2 3.35Å; N25-Y189 PolarHBondContact O-OH 2.9Å; N25-Y189 VanDerWaalsContact O-OH 3.05Å; L150-Y189 HydrophobicContact CD1-CE2 3.64Å; L150-Y189 WeakPolarHBondContact CD1-OH 3.22Å; L153-Y189 HydrophobicContact CB-CD1 3.88Å; L153-Y189 HydrophobicContact CB-CE1 3.77Å; L153-Y189 HydrophobicContact CB-CG 4.29Å; L153-Y189 HydrophobicContact CD1-CD1 4.25Å; L153-Y189 HydrophobicContact CD1-CD2 3.79Å; L153-Y189 HydrophobicContact CD1-CE2 4.2Å; L153-Y189 HydrophobicContact CD1-CG 3.78Å; L153-Y189 HydrophobicContact CD2-CD1 3.98Å; L153-Y189 HydrophobicContact CD2-CG 4.02Å; L153-Y189 HydrophobicContact CG-CD1 4.25Å; L153-Y189 HydrophobicContact CG-CG 4.25Å; A159-Y189 WeakPolarHBondContact CB-O 3.36Å; L185-Y189 HydrophobicContact CD1-CD2 3.82Å; L185-Y189 HydrophobicContact CD1-CE2 3.94Å; L185-Y189 PolarHBondContact O-N 3.4Å; L186-Y189 CarbonylContact O-C 3.6Å; L186-Y189 PolarHBondContact O-N 3.31Å; L186-Y189 VanDerWaalsContact O-N 3.14Å; V187-Y189 PolarHBondContact O-N 2.84Å
190G93.6Very high96.6Very high6 Ų634 Ų346%0.06217%0.166CC..THydrogen-bonded Turntrans130.7-20.2173.700000116.4N160 L186 V187 D192N160-G190 PolarHBondContact ND2-O 2.89Å; L186-G190 PolarHBondContact O-N 2.74Å; L186-G190 VanDerWaalsContact O-N 3.13Å; V187-G190 PolarHBondContact O-N 2.77Å; G190-D192 PolarHBondContact O-N 3.06Å
191A96.6Very high96.6Very high1 Ų136.1 Ų36.11%0.00817%0.172CC..  trans-67.9121.6-162.600000113.4A159 N160 L171 L186 P193A159-A191 HydrophobicContact CB-CB 4.15Å; N160-A191 WeakPolarHBondContact OD1-CA 3.19Å; L171-A191 HydrophobicContact CB-CB 4.1Å; L171-A191 HydrophobicContact CD2-CB 3.88Å; L171-A191 HydrophobicContact CG-CB 4.44Å; L186-A191 HydrophobicContact CB-CB 3.8Å; L186-A191 VanDerWaalsContact O-CB 3.27Å; L186-A191 WeakPolarHBondContact O-CB 3.41Å; L186-A191 PolarHBondContact O-N 3.49Å; A191-P193 VanDerWaalsContact O-CD 3.27Å; A191-P193 WeakPolarHBondContact O-CD 3.44Å
192D94.8Very high96.5Very high25 Ų2535.5 Ų35.513%0.13417%0.169CC..  trans-75.2114.2178.3169.821.4000110.9N160 G190 G194 A195 Q537N160-D192 PolarHBondContact OD1-N 3.35Å; G190-D192 PolarHBondContact O-N 3.06Å; D192-G194 PolarHBondContact O-N 2.65Å; D192-G194 VanDerWaalsContact OD1-CA 3.31Å; D192-G194 WeakPolarHBondContact OD1-CA 3.42Å; D192-G194 PolarHBondContact OD1-N 3.15Å; D192-A195 HydrophobicContact CB-CB 4.07Å; D192-A195 VanDerWaalsContact CG-N 3.31Å; D192-A195 VanDerWaalsContact O-CB 3.28Å; D192-A195 WeakPolarHBondContact O-CB 3.24Å; D192-A195 PolarHBondContact O-N 3.33Å; D192-A195 PolarHBondContact OD1-N 3.44Å; D192-A195 WeakPolarHBondContact OD2-CA 2.97Å; D192-A195 PolarHBondContact OD2-N 2.95Å; D192-A195 VanDerWaalsContact OD2-N 3.11Å; D192-Q537 PolarHBondContact OD2-NE2 3.47Å
193P95.9Very high96.5Very high7 Ų735.4 Ų35.45%0.04517%0.169CC..THydrogen-bonded Turntrans-70.7-15.9176.5-16.432.7000113.7L171 V187 A191 P203 L219 C222 Q223L171-P193 HydrophobicContact CD2-CB 4.28Å; L171-P193 HydrophobicContact CD2-CG 4.32Å; V187-P193 HydrophobicContact CG2-CG 4.08Å; A191-P193 VanDerWaalsContact O-CD 3.27Å; A191-P193 WeakPolarHBondContact O-CD 3.44Å; P193-P203 WeakPolarHBondContact O-CD 3.22Å; P193-L219 HydrophobicContact CB-CD2 4.13Å; P193-L219 WeakPolarHBondContact CB-O 3.4Å; P193-C222 HydrophobicContact CG-CB 3.75Å; P193-Q223 HydrophobicContact CB-CB 4.12Å; P193-Q223 HydrophobicContact CG-CB 4.43Å
194G93.8Very high96.4Very high4 Ų436.5 Ų36.54%0.04117%0.174CC..THydrogen-bonded Turntrans-91.41.5173.300000114.2D192 Q537D192-G194 PolarHBondContact O-N 2.65Å; D192-G194 VanDerWaalsContact OD1-CA 3.31Å; D192-G194 WeakPolarHBondContact OD1-CA 3.42Å; D192-G194 PolarHBondContact OD1-N 3.15Å; G194-Q537 PolarHBondContact O-NE2 3.03Å
195A93.7Very high96.3Very high11 Ų1138.9 Ų38.99%0.09119%0.187CC..  trans-62.8144.718000000111.2H172 D192 T202 P203H172-A195 PolarHBondContact CE1-O 2.96Å; H172-A195 PolarHBondContact NE2-O 2.79Å; D192-A195 HydrophobicContact CB-CB 4.07Å; D192-A195 VanDerWaalsContact CG-N 3.31Å; D192-A195 VanDerWaalsContact O-CB 3.28Å; D192-A195 WeakPolarHBondContact O-CB 3.24Å; D192-A195 PolarHBondContact O-N 3.33Å; D192-A195 PolarHBondContact OD1-N 3.44Å; D192-A195 WeakPolarHBondContact OD2-CA 2.97Å; D192-A195 PolarHBondContact OD2-N 2.95Å; D192-A195 VanDerWaalsContact OD2-N 3.11Å; A195-T202 WeakPolarHBondContact O-CA 3.49Å; A195-P203 WeakPolarHBondContact O-CD 3.48Å
196L95.7Very high96.3Very high87 Ų8739.7 Ų39.746%0.45519%0.19SC..  trans-102.8137.3-179.5-62.5179.2000112R201 T202L196-R201 WeakPolarHBondContact CA-O 3.49Å; L196-T202 HydrophobicContact CD2-CG2 3.8Å
197D95.9Very high96.3Very high6 Ų639.7 Ų39.73%0.03219%0.19CC..  trans-77174.5167.291.5-21.9000112.1G167 T168 H172 N199 R200 R201 Y206G167-D197 CarbonylContact O-C 3.55Å; G167-D197 VanDerWaalsContact O-CA 3.31Å; G167-D197 WeakPolarHBondContact O-CA 3.39Å; G167-D197 VanDerWaalsContact O-CB 3.3Å; G167-D197 WeakPolarHBondContact O-CB 3.31Å; T168-D197 HydrophobicContact CG2-CB 3.85Å; H172-D197 PolarHBondContact NE2-N 2.95Å; D197-N199 PolarHBondContact O-N 2.65Å; D197-N199 VanDerWaalsContact O-N 3.08Å; D197-N199 WeakPolarHBondContact OD1-CA 3.4Å; D197-N199 VanDerWaalsContact OD1-CB 3.25Å; D197-N199 WeakPolarHBondContact OD1-CB 3.46Å; D197-N199 PolarHBondContact OD1-N 2.92Å; D197-N199 PolarHBondContact OD2-ND2 3.26Å; D197-R200 WeakPolarHBondContact O-CA 3.21Å; D197-R200 PolarHBondContact O-N 3.03Å; D197-R200 PolarHBondContact OD1-N 3.31Å; D197-R201 PolarHBondContact N-O 3.42Å; D197-R201 PolarHBondContact OD1-N 3.05Å; D197-R201 IonicContact OD2-NE 2.73Å; D197-R201 IonicContact OD2-NH2 3.58Å; D197-Y206 HydrophobicContact CB-CE2 4.37Å; D197-Y206 VanDerWaalsContact OD2-CE2 3.3Å; D197-Y206 WeakPolarHBondContact OD2-CE2 3.44Å; D197-Y206 PolarHBondContact OD2-OH 2.87Å
198I96.5Very high96.3Very high121 Ų12146 Ų4662%0.62121%0.212SC*.THydrogen-bonded Turntrans-58.7-19.9177-166.3164.8000113.9G167G167-I198 PolarHBondContact O-N 3.09Å
199N95.8Very high96.3Very high96 Ų9652 Ų5251%0.51324%0.24SC..THydrogen-bonded Turntrans-95.95.9176.1-44.7-83.2000112.5D197 R201D197-N199 PolarHBondContact O-N 2.65Å; D197-N199 VanDerWaalsContact O-N 3.08Å; D197-N199 WeakPolarHBondContact OD1-CA 3.4Å; D197-N199 VanDerWaalsContact OD1-CB 3.25Å; D197-N199 WeakPolarHBondContact OD1-CB 3.46Å; D197-N199 PolarHBondContact OD1-N 2.92Å; D197-N199 PolarHBondContact OD2-ND2 3.26Å; N199-R201 VanDerWaalsContact C-N 3.31Å; N199-R201 PolarHBondContact ND2-NH2 3.38Å; N199-R201 PolarHBondContact O-N 2.9Å
200R96Very high96.3Very high203 Ų20351.3 Ų51.377%0.76625%0.247SC*.SBendtrans59.731.4-172.9-58.5-177.6172.3-178.3-1.9114.9D197D197-R200 WeakPolarHBondContact O-CA 3.21Å; D197-R200 PolarHBondContact O-N 3.03Å; D197-R200 PolarHBondContact OD1-N 3.31Å
201R97.1Very high96.5Very high72 Ų7253.5 Ų53.527%0.27227%0.269SS..  trans-94.5149.3167.5-70.2180-72.6-161.3-14.7111H172 L196 D197 N199 D205 Y206H172-R201 PolarHBondContact NE2-O 2.84Å; H172-R201 VanDerWaalsContact NE2-O 3.16Å; L196-R201 WeakPolarHBondContact CA-O 3.49Å; D197-R201 PolarHBondContact N-O 3.42Å; D197-R201 PolarHBondContact OD1-N 3.05Å; D197-R201 IonicContact OD2-NE 2.73Å; D197-R201 IonicContact OD2-NH2 3.58Å; N199-R201 VanDerWaalsContact C-N 3.31Å; N199-R201 PolarHBondContact ND2-NH2 3.38Å; N199-R201 PolarHBondContact O-N 2.9Å; R201-D205 HydrophobicContact CB-CB 4.2Å; R201-D205 HydrophobicContact CG-CB 4.44Å; R201-Y206 HydrophobicContact CB-CD2 4.24Å; R201-Y206 HydrophobicContact CB-CE2 3.89Å; R201-Y206 VanDerWaalsContact CZ-OH 3.29Å; R201-Y206 PolarHBondContact NE-OH 3.2Å; R201-Y206 PolarHBondContact NH2-OH 3.39Å
202T97Very high96.6Very high17 Ų1756.5 Ų56.510%0.10428%0.283CS..  trans-89.5166169.864.30000111.8A195 L196 M204 D205 Y206A195-T202 WeakPolarHBondContact O-CA 3.49Å; L196-T202 HydrophobicContact CD2-CG2 3.8Å; T202-M204 PolarHBondContact O-N 3.43Å; T202-M204 PolarHBondContact OG1-N 2.76Å; T202-D205 WeakPolarHBondContact CB-OD2 3.47Å; T202-D205 PolarHBondContact N-OD2 3.28Å; T202-D205 PolarHBondContact O-N 3.42Å; T202-D205 VanDerWaalsContact O-N 3.15Å; T202-D205 PolarHBondContact OG1-N 3.03Å; T202-D205 VanDerWaalsContact OG1-N 3.14Å; T202-D205 PolarHBondContact OG1-OD2 2.92Å; T202-Y206 WeakPolarHBondContact O-CD2 3.36Å; T202-Y206 PolarHBondContact O-N 2.96Å
203P98.1Very high96.7Very high0 Ų059.7 Ų59.70%030%0.303CS..Hα-helixtrans-53.6-39.5165.9-26.234.7000113L171 H172 A175 P193 A195 D205 Y206 A207 L219L171-P203 HydrophobicContact CB-CG 4.16Å; L171-P203 HydrophobicContact CD2-CB 4.38Å; L171-P203 HydrophobicContact CD2-CG 4.03Å; L171-P203 HydrophobicContact CG-CB 3.94Å; L171-P203 HydrophobicContact CG-CG 3.88Å; H172-P203 WeakPolarHBondContact NE2-CD 3.38Å; A175-P203 HydrophobicContact CB-CB 3.87Å; A175-P203 WeakPolarHBondContact CB-O 3.44Å; P193-P203 WeakPolarHBondContact O-CD 3.22Å; A195-P203 WeakPolarHBondContact O-CD 3.48Å; P203-D205 VanDerWaalsContact C-N 3.31Å; P203-D205 PolarHBondContact O-N 3.09Å; P203-Y206 PolarHBondContact O-N 3.34Å; P203-A207 PolarHBondContact O-N 3.11Å; P203-L219 HydrophobicContact CB-CD1 4.17Å
204M96.9Very high96.8Very high27 Ų2765.7 Ų65.713%0.13333%0.33CS..Hα-helixtrans-59.1-41176.5169.9-169.163.500111.7T202 Y206 A207 R208 A216 L219 V220T202-M204 PolarHBondContact O-N 3.43Å; T202-M204 PolarHBondContact OG1-N 2.76Å; M204-Y206 VanDerWaalsContact C-N 3.32Å; M204-Y206 PolarHBondContact O-N 2.68Å; M204-A207 PolarHBondContact O-N 2.85Å; M204-R208 WeakPolarHBondContact O-CG 3.19Å; M204-R208 PolarHBondContact O-N 2.68Å; M204-R208 PolarHBondContact SD-NH1 3Å; M204-R208 PolarHBondContact SD-NH2 2.92Å; M204-A216 HydrophobicContact CG-CB 4.41Å; M204-L219 HydrophobicContact CB-CB 4.35Å; M204-V220 HydrophobicContact CG-CG2 4.48Å; M204-V220 HydrophobicContact SD-CG2 3.46Å; M204-V220 WeakPolarHBondContact SD-CG2 3.32Å
205D97.2Very high97Very high54 Ų5465.7 Ų65.729%0.28933%0.33SS..Hα-helixtrans-65.7-36.6178.5-58.4-49.3000111.8R201 T202 P203 R208 Q209R201-D205 HydrophobicContact CB-CB 4.2Å; R201-D205 HydrophobicContact CG-CB 4.44Å; T202-D205 WeakPolarHBondContact CB-OD2 3.47Å; T202-D205 PolarHBondContact N-OD2 3.28Å; T202-D205 PolarHBondContact O-N 3.42Å; T202-D205 VanDerWaalsContact O-N 3.15Å; T202-D205 PolarHBondContact OG1-N 3.03Å; T202-D205 VanDerWaalsContact OG1-N 3.14Å; T202-D205 PolarHBondContact OG1-OD2 2.92Å; P203-D205 VanDerWaalsContact C-N 3.31Å; P203-D205 PolarHBondContact O-N 3.09Å; D205-R208 PolarHBondContact O-N 3.02Å; D205-Q209 VanDerWaalsContact O-CB 3.24Å; D205-Q209 WeakPolarHBondContact O-CB 3.37Å; D205-Q209 PolarHBondContact O-N 3.12Å
206Y98.1Very high97.2Very high17 Ų1765.3 Ų65.37%0.06733%0.326CS..Hα-helixtrans-67.4-40.4172.5-82.5-80000112.7H172 K176 D197 R201 T202 P203 M204 Q209 A210H172-Y206 HydrophobicContact CB-CD2 4.47Å; H172-Y206 AromaticContact CD2-CD2 3.73Å; H172-Y206 AromaticContact CD2-CE2 3.74Å; K176-Y206 HydrophobicContact CB-CD1 4.01Å; K176-Y206 HydrophobicContact CB-CG 4.34Å; K176-Y206 HydrophobicContact CD-CD1 3.75Å; K176-Y206 HydrophobicContact CD-CE1 3.95Å; K176-Y206 HydrophobicContact CG-CD1 3.93Å; D197-Y206 HydrophobicContact CB-CE2 4.37Å; D197-Y206 VanDerWaalsContact OD2-CE2 3.3Å; D197-Y206 WeakPolarHBondContact OD2-CE2 3.44Å; D197-Y206 PolarHBondContact OD2-OH 2.87Å; R201-Y206 HydrophobicContact CB-CD2 4.24Å; R201-Y206 HydrophobicContact CB-CE2 3.89Å; R201-Y206 VanDerWaalsContact CZ-OH 3.29Å; R201-Y206 PolarHBondContact NE-OH 3.2Å; R201-Y206 PolarHBondContact NH2-OH 3.39Å; T202-Y206 WeakPolarHBondContact O-CD2 3.36Å; T202-Y206 PolarHBondContact O-N 2.96Å; P203-Y206 PolarHBondContact O-N 3.34Å; M204-Y206 VanDerWaalsContact C-N 3.32Å; M204-Y206 PolarHBondContact O-N 2.68Å; Y206-Q209 PolarHBondContact O-N 3.26Å; Y206-A210 WeakPolarHBondContact O-CB 3.28Å; Y206-A210 PolarHBondContact O-N 2.84Å
207A98.3Very high97.2Very high0 Ų065.3 Ų65.30%032%0.324CS..Hα-helixtrans-61.6-45.2174.300000111.2A175 P203 M204 A210 G211 H212 L215 A216 L219A175-A207 HydrophobicContact CB-CB 4.25Å; P203-A207 PolarHBondContact O-N 3.11Å; M204-A207 PolarHBondContact O-N 2.85Å; A207-A210 PolarHBondContact O-N 3.27Å; A207-G211 PolarHBondContact O-N 3.2Å; A207-H212 HydrophobicContact CB-CB 4.32Å; A207-H212 PolarHBondContact O-N 2.92Å; A207-L215 HydrophobicContact CB-CB 4.41Å; A207-L215 HydrophobicContact CB-CG 4.18Å; A207-A216 HydrophobicContact CB-CB 3.93Å; A207-L219 HydrophobicContact CB-CD1 4.16Å
208R97.4Very high97.2Very high141 Ų14166 Ų6653%0.53233%0.326SS..Hα-helixtrans-61.7-47.7174.4-70.6177.5175.8162.2-0.4112.1M204 D205 A210 G211 A216M204-R208 WeakPolarHBondContact O-CG 3.19Å; M204-R208 PolarHBondContact O-N 2.68Å; M204-R208 PolarHBondContact SD-NH1 3Å; M204-R208 PolarHBondContact SD-NH2 2.92Å; D205-R208 PolarHBondContact O-N 3.02Å; R208-A210 PolarHBondContact O-N 3.4Å; R208-G211 PolarHBondContact O-N 3Å; R208-A216 HydrophobicContact CG-CB 3.54Å
209Q97.4Very high97.2Very high137 Ų13760.3 Ų60.364%0.6430%0.297SS*.Hα-helixtrans-62.3-29.1179.7-174.3169.928.800112.8D205 Y206D205-Q209 VanDerWaalsContact O-CB 3.24Å; D205-Q209 WeakPolarHBondContact O-CB 3.37Å; D205-Q209 PolarHBondContact O-N 3.12Å; Y206-Q209 PolarHBondContact O-N 3.26Å
210A97.4Very high97.2Very high45 Ų4556.3 Ų56.337%0.37228%0.276SS..THydrogen-bonded Turntrans-90.60.7175.900000114.3Y206 A207 R208 H212Y206-A210 WeakPolarHBondContact O-CB 3.28Å; Y206-A210 PolarHBondContact O-N 2.84Å; A207-A210 PolarHBondContact O-N 3.27Å; R208-A210 PolarHBondContact O-N 3.4Å; A210-H212 VanDerWaalsContact C-N 3.34Å; A210-H212 VanDerWaalsContact CB-CD2 3.44Å; A210-H212 WeakPolarHBondContact CB-CD2 3.4Å
211G98Very high97.2Very high52 Ų5250.3 Ų50.354%0.53626%0.257SS..THydrogen-bonded Turntrans799.8-179.800000115.2A207 R208 V213A207-G211 PolarHBondContact O-N 3.2Å; R208-G211 PolarHBondContact O-N 3Å; G211-V213 VanDerWaalsContact C-N 3.27Å; G211-V213 PolarHBondContact O-N 3.47Å
212H98.3Very high97.1Very high64 Ų6447.4 Ų47.430%0.29625%0.247SC..  trans-82.767.4179.6-55.8-47.1000111.2A175 G178 A207 A210 E214 L215 A216A175-H212 PolarHBondContact O-CD2 3.45Å; G178-H212 WeakPolarHBondContact CA-CD2 3.45Å; G178-H212 WeakPolarHBondContact CA-NE2 3.43Å; G178-H212 PolarHBondContact N-CD2 2.96Å; G178-H212 VanDerWaalsContact N-CD2 3.31Å; G178-H212 PolarHBondContact N-NE2 3Å; A207-H212 HydrophobicContact CB-CB 4.32Å; A207-H212 PolarHBondContact O-N 2.92Å; A210-H212 VanDerWaalsContact C-N 3.34Å; A210-H212 VanDerWaalsContact CB-CD2 3.44Å; A210-H212 WeakPolarHBondContact CB-CD2 3.4Å; H212-E214 PolarHBondContact O-N 3.25Å; H212-L215 HydrophobicContact CB-CB 4.1Å; H212-L215 PolarHBondContact O-N 3.21Å; H212-A216 PolarHBondContact O-N 3.15Å
213V96.6Very high97Very high92 Ų9248 Ų4856%0.55825%0.249SC*.Hα-helixtrans-58-47.6-172.9-178.60000112.7G211 L215 A216 E217G211-V213 VanDerWaalsContact C-N 3.27Å; G211-V213 PolarHBondContact O-N 3.47Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.3Å; V213-A216 WeakPolarHBondContact O-CA 3.22Å; V213-A216 WeakPolarHBondContact O-CB 3.44Å; V213-A216 PolarHBondContact O-N 3.43Å; V213-E217 HydrophobicContact CG1-CG 4.43Å; V213-E217 PolarHBondContact O-N 3.16Å
214E97.3Very high96.8Very high133 Ų13348.6 Ų48.662%0.62125%0.251SS*.Hα-helixtrans-56.1-44177.7-177-176.7-176.100112I180 H212 E217 R218I180-E214 HydrophobicContact CD1-CG 3.97Å; H212-E214 PolarHBondContact O-N 3.25Å; E214-E217 PolarHBondContact O-N 3.08Å; E214-R218 VanDerWaalsContact O-CB 3.29Å; E214-R218 WeakPolarHBondContact O-CB 3.5Å; E214-R218 PolarHBondContact O-N 2.85Å
215L98.1Very high96.7Very high5 Ų548.7 Ų48.73%0.02625%0.251CS..Hα-helixtrans-68.7-36.1176.3-179.549.6000111.9I180 A183 A207 H212 V213 L219I180-L215 HydrophobicContact CB-CD1 4.12Å; I180-L215 HydrophobicContact CB-CD2 4.46Å; I180-L215 HydrophobicContact CD1-CB 4.17Å; I180-L215 HydrophobicContact CD1-CD1 4.27Å; I180-L215 HydrophobicContact CG1-CD1 3.93Å; A183-L215 HydrophobicContact CB-CD1 3.75Å; A207-L215 HydrophobicContact CB-CB 4.41Å; A207-L215 HydrophobicContact CB-CG 4.18Å; H212-L215 HydrophobicContact CB-CB 4.1Å; H212-L215 PolarHBondContact O-N 3.21Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.3Å; L215-L219 HydrophobicContact CD1-CD1 4.01Å; L215-L219 HydrophobicContact CD1-CG 3.95Å; L215-L219 HydrophobicContact CG-CD1 4.03Å; L215-L219 HydrophobicContact CG-CG 4.46Å; L215-L219 VanDerWaalsContact O-CB 3.31Å; L215-L219 WeakPolarHBondContact O-CB 3.44Å; L215-L219 WeakPolarHBondContact O-CD1 3.43Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 3Å
216A97.6Very high96.7Very high2 Ų246.2 Ų46.22%0.01724%0.238CC..Hα-helixtrans-66.9-37.817500000112.8M204 A207 R208 H212 V213 V220M204-A216 HydrophobicContact CG-CB 4.41Å; A207-A216 HydrophobicContact CB-CB 3.93Å; R208-A216 HydrophobicContact CG-CB 3.54Å; H212-A216 PolarHBondContact O-N 3.15Å; V213-A216 WeakPolarHBondContact O-CA 3.22Å; V213-A216 WeakPolarHBondContact O-CB 3.44Å; V213-A216 PolarHBondContact O-N 3.43Å; A216-V220 WeakPolarHBondContact O-CG2 3.44Å
217E95.5Very high96.6Very high88 Ų8845.7 Ų45.741%0.41124%0.237SC..Hα-helixtrans-69.7-46.6173.9-65.3-168.2153.400110.7V213 E214 L219 V220 E221 K242V213-E217 HydrophobicContact CG1-CG 4.43Å; V213-E217 PolarHBondContact O-N 3.16Å; E214-E217 PolarHBondContact O-N 3.08Å; E217-L219 VanDerWaalsContact C-N 3.32Å; E217-L219 PolarHBondContact O-N 3.41Å; E217-V220 WeakPolarHBondContact O-CB 3.5Å; E217-V220 PolarHBondContact O-N 2.91Å; E217-E221 PolarHBondContact O-N 3.29Å; E217-K242 VanDerWaalsContact CD-NZ 3.27Å; E217-K242 WeakPolarHBondContact OE1-CE 3.29Å; E217-K242 IonicContact OE1-NZ 2.65Å; E217-K242 PolarHBondContact OE1-NZ 2.92Å; E217-K242 IonicContact OE2-NZ 3.08Å; E217-K242 PolarHBondContact OE2-NZ 3.44Å
218R96.8Very high96.5Very high20 Ų2045.9 Ų45.98%0.07524%0.238CC..Hα-helixtrans-62.4-34.3178.1-177.258.6-17113318.1113.3I180 E184 E214 V220 E221 C222I180-R218 HydrophobicContact CD1-CB 4.41Å; E184-R218 IonicContact OE1-CZ 3.46Å; E184-R218 IonicContact OE1-NE 2.66Å; E184-R218 PolarHBondContact OE1-NE 3.33Å; E184-R218 IonicContact OE1-NH2 3.37Å; E184-R218 PolarHBondContact OE1-NH2 3.13Å; E184-R218 IonicContact OE2-CZ 2.74Å; E184-R218 IonicContact OE2-NE 3.12Å; E184-R218 IonicContact OE2-NH2 3.89Å; E184-R218 PolarHBondContact OE2-NH2 2.86Å; E214-R218 VanDerWaalsContact O-CB 3.29Å; E214-R218 WeakPolarHBondContact O-CB 3.5Å; E214-R218 PolarHBondContact O-N 2.85Å; R218-V220 VanDerWaalsContact C-N 3.27Å; R218-V220 PolarHBondContact O-N 3.06Å; R218-E221 WeakPolarHBondContact CD-OE2 3.29Å; R218-E221 IonicContact CZ-OE2 3.92Å; R218-E221 IonicContact NE-OE2 3.51Å; R218-E221 IonicContact NH1-OE2 3.49Å; R218-E221 PolarHBondContact NH1-OE2 2.68Å; R218-E221 WeakPolarHBondContact O-CB 3.48Å; R218-E221 PolarHBondContact O-N 3.12Å; R218-C222 PolarHBondContact NH2-SG 3.14Å; R218-C222 PolarHBondContact O-N 3.21Å; R218-C222 PolarHBondContact O-SG 3.29Å
219L97.1Very high96.4Very high1 Ų140 Ų401%0.00522%0.215CC..Hα-helixtrans-64.6-29.4174.4-79165.2000112.8L171 A175 P193 P203 M204 A207 L215 E217 Q223L171-L219 HydrophobicContact CD1-CD2 4.1Å; L171-L219 HydrophobicContact CD2-CD2 4.18Å; L171-L219 HydrophobicContact CG-CD2 4.27Å; A175-L219 HydrophobicContact CB-CD1 3.98Å; P193-L219 HydrophobicContact CB-CD2 4.13Å; P193-L219 WeakPolarHBondContact CB-O 3.4Å; P203-L219 HydrophobicContact CB-CD1 4.17Å; M204-L219 HydrophobicContact CB-CB 4.35Å; A207-L219 HydrophobicContact CB-CD1 4.16Å; L215-L219 HydrophobicContact CD1-CD1 4.01Å; L215-L219 HydrophobicContact CD1-CG 3.95Å; L215-L219 HydrophobicContact CG-CD1 4.03Å; L215-L219 HydrophobicContact CG-CG 4.46Å; L215-L219 VanDerWaalsContact O-CB 3.31Å; L215-L219 WeakPolarHBondContact O-CB 3.44Å; L215-L219 WeakPolarHBondContact O-CD1 3.43Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 3Å; E217-L219 VanDerWaalsContact C-N 3.32Å; E217-L219 PolarHBondContact O-N 3.41Å; L219-Q223 WeakPolarHBondContact O-CB 3.22Å; L219-Q223 PolarHBondContact O-N 3.2Å
220V95.3Very high96.4Very high13 Ų1333.4 Ų33.48%0.07919%0.185CC..Hα-helixtrans-71.4-43.6173.1-1750000110M204 A216 E217 R218 C222 Q223 Y224 H241M204-V220 HydrophobicContact CG-CG2 4.48Å; M204-V220 HydrophobicContact SD-CG2 3.46Å; M204-V220 WeakPolarHBondContact SD-CG2 3.32Å; A216-V220 WeakPolarHBondContact O-CG2 3.44Å; E217-V220 WeakPolarHBondContact O-CB 3.5Å; E217-V220 PolarHBondContact O-N 2.91Å; R218-V220 VanDerWaalsContact C-N 3.27Å; R218-V220 PolarHBondContact O-N 3.06Å; V220-C222 VanDerWaalsContact C-N 3.31Å; V220-C222 PolarHBondContact O-N 3.18Å; V220-Q223 WeakPolarHBondContact O-CA 3.29Å; V220-Q223 VanDerWaalsContact O-CB 3.31Å; V220-Q223 WeakPolarHBondContact O-CB 3.42Å; V220-Q223 PolarHBondContact O-N 3.05Å; V220-Y224 HydrophobicContact CG1-CD2 3.93Å; V220-Y224 HydrophobicContact CG1-CE2 4.04Å; V220-Y224 WeakPolarHBondContact O-CD2 3.41Å; V220-Y224 PolarHBondContact O-N 3.45Å; V220-Y224 VanDerWaalsContact O-N 3.15Å; V220-H241 HydrophobicContact CG1-CB 3.86Å
221E95.3Very high96.4Very high76 Ų7631.3 Ų31.336%0.35517%0.168SC..Hα-helixtrans-58.1-44.5173.3-59.8-179.5174.400111.6E217 R218 Q223 Y224 E225E217-E221 PolarHBondContact O-N 3.29Å; R218-E221 WeakPolarHBondContact CD-OE2 3.29Å; R218-E221 IonicContact CZ-OE2 3.92Å; R218-E221 IonicContact NE-OE2 3.51Å; R218-E221 IonicContact NH1-OE2 3.49Å; R218-E221 PolarHBondContact NH1-OE2 2.68Å; R218-E221 WeakPolarHBondContact O-CB 3.48Å; R218-E221 PolarHBondContact O-N 3.12Å; E221-Q223 PolarHBondContact O-N 3Å; E221-Y224 PolarHBondContact O-N 3.27Å; E221-E225 PolarHBondContact O-N 3.25Å
222C95.5Very high96.2Very high11 Ų1133 Ų337%0.07416%0.16CC..Hα-helixtrans-60.3-32.1174.1-69.50000112.9V187 P193 R218 V220V187-C222 HydrophobicContact CG1-CB 4.11Å; V187-C222 HydrophobicContact CG2-CB 4.17Å; P193-C222 HydrophobicContact CG-CB 3.75Å; R218-C222 PolarHBondContact NH2-SG 3.14Å; R218-C222 PolarHBondContact O-N 3.21Å; R218-C222 PolarHBondContact O-SG 3.29Å; V220-C222 VanDerWaalsContact C-N 3.31Å; V220-C222 PolarHBondContact O-N 3.18Å
223Q94.7Very high96.1Very high30 Ų3033.4 Ų33.414%0.1416%0.16CC..Hα-helixtrans-72.4-28.9179-173171.420.600112.7P193 L219 V220 E221 A538P193-Q223 HydrophobicContact CB-CB 4.12Å; P193-Q223 HydrophobicContact CG-CB 4.43Å; L219-Q223 WeakPolarHBondContact O-CB 3.22Å; L219-Q223 PolarHBondContact O-N 3.2Å; V220-Q223 WeakPolarHBondContact O-CA 3.29Å; V220-Q223 VanDerWaalsContact O-CB 3.31Å; V220-Q223 WeakPolarHBondContact O-CB 3.42Å; V220-Q223 PolarHBondContact O-N 3.05Å; E221-Q223 PolarHBondContact O-N 3Å; Q223-A538 HydrophobicContact CG-CB 3.58Å; Q223-A538 VanDerWaalsContact O-CB 3.31Å; Q223-A538 WeakPolarHBondContact O-CB 3.47Å
224Y95Very high96Very high13 Ų1331.4 Ų31.45%0.05115%0.146CC..Hα-helixtrans-112.40.2-176.7-68.7-82000114.7V220 E221 L226 T227 D228 H245 Y246 Q355 A538V220-Y224 HydrophobicContact CG1-CD2 3.93Å; V220-Y224 HydrophobicContact CG1-CE2 4.04Å; V220-Y224 WeakPolarHBondContact O-CD2 3.41Å; V220-Y224 PolarHBondContact O-N 3.45Å; V220-Y224 VanDerWaalsContact O-N 3.15Å; E221-Y224 PolarHBondContact O-N 3.27Å; Y224-L226 CarbonylContact O-C 3.57Å; Y224-L226 PolarHBondContact O-N 3.31Å; Y224-T227 PolarHBondContact O-N 3.1Å; Y224-T227 PolarHBondContact O-OG1 3.27Å; Y224-T227 VanDerWaalsContact O-OG1 3.04Å; Y224-D228 WeakPolarHBondContact O-CB 3.21Å; Y224-D228 PolarHBondContact O-N 2.98Å; Y224-H245 HydrophobicContact CD1-CB 3.78Å; Y224-H245 HydrophobicContact CD2-CB 4.1Å; Y224-H245 AromaticContact CD2-ND1 3.96Å; Y224-H245 HydrophobicContact CE1-CB 3.42Å; Y224-H245 VanDerWaalsContact CE1-CB 3.42Å; Y224-H245 HydrophobicContact CE2-CB 3.79Å; Y224-H245 AromaticContact CE2-CG 3.52Å; Y224-H245 AromaticContact CE2-ND1 3.54Å; Y224-H245 HydrophobicContact CG-CB 4.1Å; Y224-H245 VanDerWaalsContact CZ-CB 3.41Å; Y224-H245 AromaticContact CZ-CD2 3.8Å; Y224-H245 AromaticContact CZ-CG 3.43Å; Y224-H245 VanDerWaalsContact CZ-CG 3.43Å; Y224-H245 AromaticContact CZ-ND1 3.97Å; Y224-H245 PolarHBondContact OH-CD2 2.81Å; Y224-Y246 HydrophobicContact CE1-CE2 4.24Å; Y224-Q355 VanDerWaalsContact OH-CD 3.26Å; Y224-Q355 PolarHBondContact OH-NE2 3.36Å; Y224-Q355 PolarHBondContact OH-OE1 3.05Å; Y224-A538 HydrophobicContact CD1-CB 4.07Å; Y224-A538 HydrophobicContact CE1-CB 3.77Å
225E94.9Very high95.8Very high29 Ų2926.8 Ų26.814%0.13613%0.128CC..Hα-helixtrans-46.5-34.2-177178.762.6-150.200114.2E221 R229 R238 Y284 M541E221-E225 PolarHBondContact O-N 3.25Å; E225-R229 VanDerWaalsContact O-CB 3.27Å; E225-R229 WeakPolarHBondContact O-CB 3.46Å; E225-R229 PolarHBondContact O-N 3.24Å; E225-R238 IonicContact OE1-CZ 3.31Å; E225-R238 IonicContact OE1-NH1 3.69Å; E225-R238 IonicContact OE1-NH2 3.76Å; E225-R238 PolarHBondContact OE1-NH2 3.24Å; E225-R238 IonicContact OE2-CZ 3.45Å; E225-R238 IonicContact OE2-NH1 2.68Å; E225-R238 PolarHBondContact OE2-NH1 3.18Å; E225-R238 IonicContact OE2-NH2 2.74Å; E225-R238 PolarHBondContact OE2-NH2 3.31Å; E225-R238 VanDerWaalsContact OE2-NH2 3.15Å; E225-Y284 HydrophobicContact CG-CE2 4.49Å; E225-M541 HydrophobicContact CB-CG 4.18Å; E225-M541 HydrophobicContact CG-CG 4.35Å
226L95.4Very high95.6Very high1 Ų129 Ų291%0.00515%0.152CC..Hα-helixtrans-60.2-60.7174.6-164.9149.8000111Y224 D228 R229 L230 A280 M281 Y284 I539 M541Y224-L226 CarbonylContact O-C 3.57Å; Y224-L226 PolarHBondContact O-N 3.31Å; L226-D228 VanDerWaalsContact C-N 3.3Å; L226-D228 PolarHBondContact O-N 3.42Å; L226-R229 PolarHBondContact O-N 3.32Å; L226-L230 HydrophobicContact CD2-CD1 3.68Å; L226-L230 HydrophobicContact CD2-CG 4.1Å; L226-L230 WeakPolarHBondContact O-CB 3.31Å; L226-L230 WeakPolarHBondContact O-CG 3.43Å; L226-L230 PolarHBondContact O-N 3.11Å; L226-A280 HydrophobicContact CD1-CB 4.06Å; L226-A280 HydrophobicContact CD2-CB 3.97Å; L226-M281 HydrophobicContact CD1-CG 4.07Å; L226-Y284 HydrophobicContact CB-CD2 4.45Å; L226-Y284 HydrophobicContact CG-CD2 4.08Å; L226-Y284 HydrophobicContact CG-CG 4.49Å; L226-I539 HydrophobicContact CD1-CB 4.44Å; L226-I539 HydrophobicContact CD1-CG2 3.69Å; L226-I539 HydrophobicContact CD2-CD1 4.28Å; L226-M541 HydrophobicContact CB-CG 3.81Å; L226-M541 HydrophobicContact CB-SD 3.45Å; L226-M541 WeakPolarHBondContact CB-SD 3.14Å; L226-M541 HydrophobicContact CD1-SD 3.69Å; L226-M541 HydrophobicContact CG-SD 3.66Å
227T96.2Very high95.3Very high7 Ų736.7 Ų36.74%0.04318%0.18CC..Hα-helixtrans-70.4-29.7-176.445.90000112.1Y224 A231 Y246 L348 A351 I539Y224-T227 PolarHBondContact O-N 3.1Å; Y224-T227 PolarHBondContact O-OG1 3.27Å; Y224-T227 VanDerWaalsContact O-OG1 3.04Å; T227-A231 VanDerWaalsContact O-CB 3.31Å; T227-A231 WeakPolarHBondContact O-CB 3.4Å; T227-A231 PolarHBondContact O-N 3.48Å; T227-Y246 HydrophobicContact CG2-CE1 4.14Å; T227-L348 HydrophobicContact CG2-CD2 4.04Å; T227-L348 VanDerWaalsContact O-CD2 3.3Å; T227-L348 WeakPolarHBondContact O-CD2 3.5Å; T227-A351 HydrophobicContact CG2-CB 3.93Å; T227-I539 HydrophobicContact CG2-CD1 4.23Å
228D96Very high95Very high3 Ų336.9 Ų36.92%0.01618%0.177CC..Hα-helixtrans-64.6-46172.9-93.742000112.3Y224 L226 A231 F232 R238 P239 H241Y224-D228 WeakPolarHBondContact O-CB 3.21Å; Y224-D228 PolarHBondContact O-N 2.98Å; L226-D228 VanDerWaalsContact C-N 3.3Å; L226-D228 PolarHBondContact O-N 3.42Å; D228-A231 PolarHBondContact O-N 3.24Å; D228-F232 WeakPolarHBondContact O-CB 3.41Å; D228-F232 PolarHBondContact O-N 3.25Å; D228-R238 HydrophobicContact CB-CG 4.22Å; D228-R238 WeakPolarHBondContact OD2-CB 3.26Å; D228-R238 IonicContact OD2-NH1 2.68Å; D228-P239 WeakPolarHBondContact OD1-CD 3.47Å; D228-P239 WeakPolarHBondContact OD1-CG 3.48Å; D228-P239 WeakPolarHBondContact OD2-CD 3.33Å; D228-H241 IonicContact OD1-CE1 3.15Å; D228-H241 PolarHBondContact OD1-CE1 2.99Å; D228-H241 VanDerWaalsContact OD1-CE1 3.31Å; D228-H241 IonicContact OD1-NE2 3.96Å; D228-H241 IonicContact OD2-CE1 3.12Å; D228-H241 IonicContact OD2-NE2 3.93Å
229R96.4Very high94.8Very high17 Ų1736.6 Ų36.66%0.06418%0.178CC..Hα-helixtrans-69.4-40.4177.8-164.4176.4-169.1176.7-5.6111.8E225 L226 A231 F232 Y233 Y284 V287 D288 E291E225-R229 VanDerWaalsContact O-CB 3.27Å; E225-R229 WeakPolarHBondContact O-CB 3.46Å; E225-R229 PolarHBondContact O-N 3.24Å; L226-R229 PolarHBondContact O-N 3.32Å; R229-A231 PolarHBondContact O-N 2.89Å; R229-F232 PolarHBondContact O-N 3.1Å; R229-Y233 WeakPolarHBondContact O-CB 3.47Å; R229-Y233 PolarHBondContact O-N 2.97Å; R229-Y284 HydrophobicContact CB-CD2 4.09Å; R229-Y284 HydrophobicContact CB-CE2 3.62Å; R229-Y284 VanDerWaalsContact CD-CZ 3.42Å; R229-Y284 HydrophobicContact CG-CE2 4.04Å; R229-Y284 VanDerWaalsContact NH1-CZ 3.32Å; R229-Y284 PolarHBondContact NH1-OH 3.15Å; R229-V287 HydrophobicContact CG-CG1 4.1Å; R229-D288 IonicContact CZ-OD1 2.81Å; R229-D288 IonicContact NH1-OD1 2.75Å; R229-D288 PolarHBondContact NH1-OD1 3.03Å; R229-D288 IonicContact NH2-OD1 3.62Å; R229-D288 PolarHBondContact NH2-OD1 2.92Å; R229-E291 IonicContact CZ-OE2 3.64Å; R229-E291 IonicContact NE-OE2 3.72Å; R229-E291 PolarHBondContact NE-OE2 2.95Å; R229-E291 IonicContact NH2-OE2 3.58Å; R229-E291 PolarHBondContact NH2-OE2 3.33Å
230L97.3Very high94.5Very high0 Ų040.5 Ų40.50%020%0.199CC..Hα-helixtrans-59.5-42.8173.4-74-164.5000112.4L226 V283 V287 I344 I347 L348L226-L230 HydrophobicContact CD2-CD1 3.68Å; L226-L230 HydrophobicContact CD2-CG 4.1Å; L226-L230 WeakPolarHBondContact O-CB 3.31Å; L226-L230 WeakPolarHBondContact O-CG 3.43Å; L226-L230 PolarHBondContact O-N 3.11Å; L230-V283 HydrophobicContact CD2-CG1 4.1Å; L230-V287 HydrophobicContact CD2-CB 4.31Å; L230-V287 HydrophobicContact CD2-CG2 3.68Å; L230-I344 HydrophobicContact CB-CG2 3.92Å; L230-I344 HydrophobicContact CD2-CD1 4.34Å; L230-I344 HydrophobicContact CD2-CG1 4.23Å; L230-I344 HydrophobicContact CD2-CG2 4.48Å; L230-I347 HydrophobicContact CD1-CG2 3.81Å; L230-L348 HydrophobicContact CB-CD1 4.42Å; L230-L348 HydrophobicContact CB-CD2 3.92Å; L230-L348 HydrophobicContact CB-CG 4.24Å
231A96.3Very high94.2Very high1 Ų141.4 Ų41.41%0.00820%0.202CC..Hα-helixtrans-70.1-41.2175.500000112.2T227 D228 R229 L234 C235 I247 L348T227-A231 VanDerWaalsContact O-CB 3.31Å; T227-A231 WeakPolarHBondContact O-CB 3.4Å; T227-A231 PolarHBondContact O-N 3.48Å; D228-A231 PolarHBondContact O-N 3.24Å; R229-A231 PolarHBondContact O-N 2.89Å; A231-L234 PolarHBondContact O-N 3.42Å; A231-C235 PolarHBondContact O-N 3.47Å; A231-C235 VanDerWaalsContact O-N 3.09Å; A231-C235 PolarHBondContact O-SG 2.9Å; A231-I247 HydrophobicContact CB-CB 4.14Å; A231-I247 HydrophobicContact CB-CG2 4.48Å; A231-L348 HydrophobicContact CB-CD1 4.16Å; A231-L348 HydrophobicContact CB-CD2 4.39Å
232F95.7Very high93.8Very high88 Ų8844.7 Ų44.739%0.38622%0.215SC..Hα-helixtrans-61.8-44178.6-178-95.2000112D228 R229 L234 C235 G236 R237 R238D228-F232 WeakPolarHBondContact O-CB 3.41Å; D228-F232 PolarHBondContact O-N 3.25Å; R229-F232 PolarHBondContact O-N 3.1Å; F232-L234 PolarHBondContact O-N 2.94Å; F232-C235 PolarHBondContact O-N 3.33Å; F232-G236 VanDerWaalsContact CD2-C 3.47Å; F232-G236 WeakPolarHBondContact CE2-O 3.41Å; F232-G236 WeakPolarHBondContact O-CA 3.48Å; F232-G236 PolarHBondContact O-N 3.17Å; F232-R237 WeakPolarHBondContact CA-O 3.26Å; F232-R237 PolarHBondContact N-O 3.06Å; F232-R238 HydrophobicContact CB-CG 4.22Å; F232-R238 HydrophobicContact CD2-CG 4.22Å
233Y95.9Very high93.2Very high72 Ų7251 Ų5128%0.28225%0.249SC..Hα-helixtrans-56.1-34.5177.4175-96.2000113.1R229 V287 R290 E291 F340 I344R229-Y233 WeakPolarHBondContact O-CB 3.47Å; R229-Y233 PolarHBondContact O-N 2.97Å; Y233-V287 HydrophobicContact CD1-CG2 3.99Å; Y233-V287 HydrophobicContact CD2-CB 4.5Å; Y233-V287 HydrophobicContact CD2-CG1 3.8Å; Y233-V287 HydrophobicContact CD2-CG2 4.29Å; Y233-V287 HydrophobicContact CE1-CG2 4.4Å; Y233-V287 HydrophobicContact CG-CG1 3.85Å; Y233-V287 HydrophobicContact CG-CG2 3.95Å; Y233-R290 HydrophobicContact CE2-CB 4.11Å; Y233-R290 WeakPolarHBondContact OH-CD 3.36Å; Y233-E291 HydrophobicContact CD2-CG 3.98Å; Y233-E291 HydrophobicContact CE2-CG 4.49Å; Y233-F340 AromaticContact CE1-CD1 3.79Å; Y233-F340 HydrophobicContact CE1-CD1 3.79Å; Y233-F340 AromaticContact CE1-CE1 3.8Å; Y233-F340 HydrophobicContact CE1-CE1 3.8Å; Y233-I344 HydrophobicContact CD1-CD1 3.74Å; Y233-I344 HydrophobicContact CE1-CD1 3.98Å
234L94.8Very high92.8Very high50 Ų5051.1 Ų51.126%0.26226%0.258SS..Hα-helixtrans-89.9-28.6179.8-66.6-171.8000115.2A231 F232 P249 A341 I344 I345A231-L234 PolarHBondContact O-N 3.42Å; F232-L234 PolarHBondContact O-N 2.94Å; L234-P249 HydrophobicContact CB-CB 4.44Å; L234-P249 HydrophobicContact CB-CG 3.99Å; L234-P249 HydrophobicContact CD1-CB 4.43Å; L234-P249 HydrophobicContact CD1-CG 4.09Å; L234-A341 HydrophobicContact CD1-CB 4.32Å; L234-A341 HydrophobicContact CD2-CB 3.7Å; L234-I344 HydrophobicContact CD1-CB 3.89Å; L234-I344 HydrophobicContact CD1-CG2 3.48Å; L234-I344 VanDerWaalsContact CD1-CG2 3.48Å; L234-I344 HydrophobicContact CD2-CD1 4.44Å; L234-I344 HydrophobicContact CG-CB 4.47Å; L234-I344 HydrophobicContact CG-CG2 3.94Å; L234-I345 HydrophobicContact CD1-CD1 4.18Å; L234-I345 HydrophobicContact CD1-CG1 3.67Å
235C92.8Very high92.6Very high36 Ų3653.4 Ų53.424%0.24327%0.268CS..Hα-helixtrans-139.711.4-170.476.60000116.2A231 F232 R237A231-C235 PolarHBondContact O-N 3.47Å; A231-C235 VanDerWaalsContact O-N 3.09Å; A231-C235 PolarHBondContact O-SG 2.9Å; F232-C235 PolarHBondContact O-N 3.33Å; C235-R237 PolarHBondContact O-N 3.01Å; C235-R237 VanDerWaalsContact O-N 3.14Å
236G92.8Very high92.4Very high52 Ų5253.6 Ų53.654%0.53627%0.268SS..SBendtrans64.115.1175.500000115.2F232F232-G236 VanDerWaalsContact CD2-C 3.47Å; F232-G236 WeakPolarHBondContact CE2-O 3.41Å; F232-G236 WeakPolarHBondContact O-CA 3.48Å; F232-G236 PolarHBondContact O-N 3.17Å
237R91.5Very high92.3Very high163 Ų16355.6 Ų55.662%0.61528%0.278SS*.  trans-136.5143.2-172.7-67.4177.7-67.1170.93111.1F232 C235 I247F232-R237 WeakPolarHBondContact CA-O 3.26Å; F232-R237 PolarHBondContact N-O 3.06Å; C235-R237 PolarHBondContact O-N 3.01Å; C235-R237 VanDerWaalsContact O-N 3.14Å; R237-I247 HydrophobicContact CB-CD1 4.17Å
238R90.4Very high92.1Very high91 Ų9158 Ų5834%0.34329%0.29SS..  trans-102.7155.7169.2-71.3-176.4174.8-135-4.4110E225 D228 F232 I247E225-R238 IonicContact OE1-CZ 3.31Å; E225-R238 IonicContact OE1-NH1 3.69Å; E225-R238 IonicContact OE1-NH2 3.76Å; E225-R238 PolarHBondContact OE1-NH2 3.24Å; E225-R238 IonicContact OE2-CZ 3.45Å; E225-R238 IonicContact OE2-NH1 2.68Å; E225-R238 PolarHBondContact OE2-NH1 3.18Å; E225-R238 IonicContact OE2-NH2 2.74Å; E225-R238 PolarHBondContact OE2-NH2 3.31Å; E225-R238 VanDerWaalsContact OE2-NH2 3.15Å; D228-R238 HydrophobicContact CB-CG 4.22Å; D228-R238 WeakPolarHBondContact OD2-CB 3.26Å; D228-R238 IonicContact OD2-NH1 2.68Å; F232-R238 HydrophobicContact CB-CG 4.22Å; F232-R238 HydrophobicContact CD2-CG 4.22Å; R238-I247 VanDerWaalsContact C-CD1 3.47Å; R238-I247 WeakPolarHBondContact O-CD1 3.47Å
239P91.2Very high91.8Very high14 Ų1458.7 Ų58.79%0.09130%0.295CS..  trans-65.5142.9174.3-12.328.7000111.1D228 H241 G244 I247D228-P239 WeakPolarHBondContact OD1-CD 3.47Å; D228-P239 WeakPolarHBondContact OD1-CG 3.48Å; D228-P239 WeakPolarHBondContact OD2-CD 3.33Å; P239-H241 PolarHBondContact O-N 2.84Å; P239-G244 WeakPolarHBondContact CB-O 3.22Å; P239-I247 HydrophobicContact CB-CG1 4.19Å; P239-I247 HydrophobicContact CG-CD1 4.44Å; P239-I247 HydrophobicContact CG-CG1 4.09Å
240D90.5Very high91.1Very high84 Ų8466.9 Ų66.945%0.44933%0.334SS..  trans-77.6100.2163.3172.79.5000108.7K242 N243 G244D240-K242 PolarHBondContact O-N 3.22Å; D240-K242 WeakPolarHBondContact OD1-CB 3.47Å; D240-K242 PolarHBondContact OD1-N 3.34Å; D240-N243 CarbonylContact O-C 3.55Å; D240-N243 PolarHBondContact O-N 3.09Å; D240-N243 PolarHBondContact OD2-ND2 2.9Å; D240-G244 CarbonylContact C-O 3.51Å; D240-G244 PolarHBondContact O-N 3.37Å
241H90.3Very high90Very high32 Ų3270.4 Ų70.415%0.14835%0.352CS..THydrogen-bonded Turntrans-59.3-10.8-179-64.7-18000115.2V220 D228 P239 H245V220-H241 HydrophobicContact CG1-CB 3.86Å; D228-H241 IonicContact OD1-CE1 3.15Å; D228-H241 PolarHBondContact OD1-CE1 2.99Å; D228-H241 VanDerWaalsContact OD1-CE1 3.31Å; D228-H241 IonicContact OD1-NE2 3.96Å; D228-H241 IonicContact OD2-CE1 3.12Å; D228-H241 IonicContact OD2-NE2 3.93Å; P239-H241 PolarHBondContact O-N 2.84Å; H241-H245 AromaticContact CG-ND1 3.85Å; H241-H245 AromaticContact ND1-ND1 3.77Å; H241-H245 PolarHBondContact O-CE1 2.97Å; H241-H245 VanDerWaalsContact O-CE1 3.27Å
242K86Confident88.3Confident145 Ų14575.4 Ų75.463%0.6339%0.393SS*.THydrogen-bonded Turntrans-80-22.4172.2-53.1-174.3-169.2-164.30111.9E217 D240E217-K242 VanDerWaalsContact CD-NZ 3.27Å; E217-K242 WeakPolarHBondContact OE1-CE 3.29Å; E217-K242 IonicContact OE1-NZ 2.65Å; E217-K242 PolarHBondContact OE1-NZ 2.92Å; E217-K242 IonicContact OE2-NZ 3.08Å; E217-K242 PolarHBondContact OE2-NZ 3.44Å; D240-K242 PolarHBondContact O-N 3.22Å; D240-K242 WeakPolarHBondContact OD1-CB 3.47Å; D240-K242 PolarHBondContact OD1-N 3.34Å
243N83.3Confident86.4Confident144 Ų14476.1 Ų76.177%0.7740%0.401SS*.THydrogen-bonded Turntrans-117-17.5-178.9-72.2-61.7000113.8D240D240-N243 CarbonylContact O-C 3.55Å; D240-N243 PolarHBondContact O-N 3.09Å; D240-N243 PolarHBondContact OD2-ND2 2.9Å
244G86.5Confident84.3Confident32 Ų3278 Ų7833%0.3343%0.425SS..  trans167.3152.3170.300000114.5P239 D240P239-G244 WeakPolarHBondContact CB-O 3.22Å; D240-G244 CarbonylContact C-O 3.51Å; D240-G244 PolarHBondContact O-N 3.37Å
245H90.4Very high82.2Confident60 Ų6082.3 Ų82.328%0.27845%0.447SS..SBendtrans-95.66.9-171.6-50.4-65000115.9Y224 H241Y224-H245 HydrophobicContact CD1-CB 3.78Å; Y224-H245 HydrophobicContact CD2-CB 4.1Å; Y224-H245 AromaticContact CD2-ND1 3.96Å; Y224-H245 HydrophobicContact CE1-CB 3.42Å; Y224-H245 VanDerWaalsContact CE1-CB 3.42Å; Y224-H245 HydrophobicContact CE2-CB 3.79Å; Y224-H245 AromaticContact CE2-CG 3.52Å; Y224-H245 AromaticContact CE2-ND1 3.54Å; Y224-H245 HydrophobicContact CG-CB 4.1Å; Y224-H245 VanDerWaalsContact CZ-CB 3.41Å; Y224-H245 AromaticContact CZ-CD2 3.8Å; Y224-H245 AromaticContact CZ-CG 3.43Å; Y224-H245 VanDerWaalsContact CZ-CG 3.43Å; Y224-H245 AromaticContact CZ-ND1 3.97Å; Y224-H245 PolarHBondContact OH-CD2 2.81Å; H241-H245 AromaticContact CG-ND1 3.85Å; H241-H245 AromaticContact ND1-ND1 3.77Å; H241-H245 PolarHBondContact O-CE1 2.97Å; H241-H245 VanDerWaalsContact O-CE1 3.27Å
246Y92Very high80.4Confident33 Ų3387.6 Ų87.613%0.12947%0.473CS..  trans-143.1127.5-176.5-63.3-82.8000112.9Y224 T227 A351 K352 Q355Y224-Y246 HydrophobicContact CE1-CE2 4.24Å; T227-Y246 HydrophobicContact CG2-CE1 4.14Å; Y246-A351 HydrophobicContact CE1-CB 3.93Å; Y246-A351 PolarHBondContact OH-O 3.42Å; Y246-K352 HydrophobicContact CD1-CB 3.96Å; Y246-K352 HydrophobicContact CD2-CB 3.98Å; Y246-K352 HydrophobicContact CD2-CD 4.27Å; Y246-K352 HydrophobicContact CD2-CG 3.78Å; Y246-K352 HydrophobicContact CE1-CB 4.19Å; Y246-K352 HydrophobicContact CE2-CB 4.21Å; Y246-K352 HydrophobicContact CE2-CG 4.23Å; Y246-K352 HydrophobicContact CG-CB 3.85Å; Y246-K352 HydrophobicContact CG-CD 4.16Å; Y246-K352 HydrophobicContact CG-CG 3.98Å; Y246-Q355 HydrophobicContact CE2-CB 4.45Å; Y246-Q355 WeakPolarHBondContact OH-CB 3.16Å; Y246-Q355 PolarHBondContact OH-OE1 3.3Å
247I92.3Very high78.9Confident43 Ų4390.5 Ų90.522%0.22148%0.475CS..  trans-102.2130160.5-69175.3000107.8A231 R237 R238 P239A231-I247 HydrophobicContact CB-CB 4.14Å; A231-I247 HydrophobicContact CB-CG2 4.48Å; R237-I247 HydrophobicContact CB-CD1 4.17Å; R238-I247 VanDerWaalsContact C-CD1 3.47Å; R238-I247 WeakPolarHBondContact O-CD1 3.47Å; P239-I247 HydrophobicContact CB-CG1 4.19Å; P239-I247 HydrophobicContact CG-CD1 4.44Å; P239-I247 HydrophobicContact CG-CG1 4.09Å
248I91.9Very high78.3Confident57 Ų5786.1 Ų86.129%0.29247%0.47SS..  trans-111.4107.9171.3-48.4-57.4000107.4I345 L348 S349 K352I248-I345 HydrophobicContact CG2-CG2 4.24Å; I248-L348 VanDerWaalsContact CD1-C 3.48Å; I248-L348 HydrophobicContact CD1-CB 3.79Å; I248-L348 WeakPolarHBondContact CD1-O 3.41Å; I248-S349 WeakPolarHBondContact CG2-OG 3.19Å; I248-K352 HydrophobicContact CD1-CB 4.47Å; I248-K352 HydrophobicContact CD1-CD 4.2Å; I248-K352 HydrophobicContact CG1-CD 4.2Å
249P89.4Confident78Confident19 Ų1988 Ų8812%0.12348%0.483CS..  trans-64151.6175-22.334.4000112.2L234 I345 L348L234-P249 HydrophobicContact CB-CB 4.44Å; L234-P249 HydrophobicContact CB-CG 3.99Å; L234-P249 HydrophobicContact CD1-CB 4.43Å; L234-P249 HydrophobicContact CD1-CG 4.09Å; P249-I345 HydrophobicContact CB-CD1 4.19Å; P249-I345 HydrophobicContact CB-CG1 4.09Å; P249-I345 HydrophobicContact CG-CG1 4.41Å; P249-L348 HydrophobicContact CG-CD1 4.43Å
250Q81.9Confident77.7Confident188 Ų18894 Ų9488%0.87951%0.513SS*.  trans-109.4141.4171.3-67.2-179.2-8.600109.4
251M73.5Confident77.5Confident75 Ų7591.3 Ų91.337%0.36950%0.503SS..  trans-81.6135.3172.9-62.5-66.1-86.400109.3D253 R338 A341 I345M251-D253 PolarHBondContact O-N 3.28Å; M251-R338 HydrophobicContact CE-CG 3.84Å; M251-A341 HydrophobicContact CE-CB 4.15Å; M251-A341 HydrophobicContact SD-CB 4.14Å; M251-I345 HydrophobicContact CG-CD1 3.7Å; M251-I345 HydrophobicContact SD-CD1 3.6Å; M251-I345 VanDerWaalsContact SD-CD1 3.6Å
252A60.5Low77.4Confident105 Ų10593.9 Ų93.987%0.86851%0.514SS*.SBendtrans-64.4-39-178.800000112.7S254A252-S254 PolarHBondContact O-N 3.34Å
253D56.3Low77.6Confident103 Ų10389.2 Ų89.255%0.55150%0.502SS*.  trans-87.577.8176.1-60.2-39.8000110.6M251 L255M251-D253 PolarHBondContact O-N 3.28Å; D253-L255 PolarHBondContact O-N 2.95Å
254S52.1Low78Confident113 Ų11385 Ų8579%0.7949%0.487SS*.  trans-76.929.117376.40000113.5A252A252-S254 PolarHBondContact O-N 3.34Å
255L51.1Low78.3Confident139 Ų13986.2 Ų86.273%0.72848%0.483SS*.SBendtrans-65.2140.4165.3-65.8171.8000108.1D253 L257D253-L255 PolarHBondContact O-N 2.95Å; L255-L257 PolarHBondContact O-N 3.21Å
256D54.4Low78.5Confident148 Ų14890.9 Ų90.979%0.79150%0.503SS*.  trans-33.5125.6-157.8-74.6-70.5000115.7S258D256-S258 PolarHBondContact O-N 3.07Å
257L62.3Low78.7Confident112 Ų11297.1 Ų97.159%0.58653%0.53SS*.  trans-55.6103.1165.6-73.3173000107.8L255 K262L255-L257 PolarHBondContact O-N 3.21Å; L257-K262 HydrophobicContact CB-CG 4.27Å; L257-K262 WeakPolarHBondContact O-CD 3.31Å; L257-K262 WeakPolarHBondContact O-CE 3.5Å; L257-K262 PolarHBondContact O-NZ 3.49Å; L257-K262 VanDerWaalsContact O-NZ 3.1Å
258S77.7Confident78.9Confident72 Ų7295.7 Ų95.750%0.50352%0.523SS..  trans-46.6143.6179.4175.10000110.6D256 L260 A261 K262D256-S258 PolarHBondContact O-N 3.07Å; S258-L260 PolarHBondContact O-N 3.02Å; S258-L260 VanDerWaalsContact O-N 3.09Å; S258-L260 PolarHBondContact OG-N 3.02Å; S258-A261 WeakPolarHBondContact O-CA 3.36Å; S258-A261 WeakPolarHBondContact O-CB 3.44Å; S258-A261 PolarHBondContact O-N 2.99Å; S258-K262 PolarHBondContact O-N 3.45Å
259E84.4Confident79Confident131 Ų13196.5 Ų96.561%0.61253%0.526SS*.Hα-helixtrans-55.1-29.8175.5-61.5-49.5134.400112K262 A263E259-K262 PolarHBondContact O-N 3.34Å; E259-K262 WeakPolarHBondContact OE1-CD 3.18Å; E259-K262 IonicContact OE1-NZ 3.22Å; E259-K262 PolarHBondContact OE1-NZ 2.89Å; E259-K262 WeakPolarHBondContact OE2-CD 3.49Å; E259-K262 IonicContact OE2-NZ 2.8Å; E259-A263 WeakPolarHBondContact O-CB 3.44Å; E259-A263 PolarHBondContact O-N 3.2Å
260L85.6Confident79.3Confident139 Ų13999.6 Ų99.673%0.72855%0.553SS**Hα-helixtrans-63-40.5171.4-174.863.6000112.7S258 A264S258-L260 PolarHBondContact O-N 3.02Å; S258-L260 VanDerWaalsContact O-N 3.09Å; S258-L260 PolarHBondContact OG-N 3.02Å; L260-A264 VanDerWaalsContact O-CB 3.29Å; L260-A264 WeakPolarHBondContact O-CB 3.46Å; L260-A264 PolarHBondContact O-N 3.41Å
261A85.4Confident79.9Confident28 Ų2893 Ų9323%0.23152%0.524CS..Hα-helixtrans-71.9-41.3176.400000111.7S258 A263 A264 K265S258-A261 WeakPolarHBondContact O-CA 3.36Å; S258-A261 WeakPolarHBondContact O-CB 3.44Å; S258-A261 PolarHBondContact O-N 2.99Å; A261-A263 VanDerWaalsContact C-N 3.35Å; A261-A263 PolarHBondContact O-N 3.49Å; A261-A264 PolarHBondContact O-N 2.89Å; A261-K265 WeakPolarHBondContact O-CB 3.42Å; A261-K265 PolarHBondContact O-N 3.49Å
262K87.5Confident80.9Confident86 Ų8693.7 Ų93.737%0.37453%0.529SS..Hα-helixtrans-59.6-44.5172.2-70.4163.1172.7154.30111.3L257 S258 E259 K265 K266L257-K262 HydrophobicContact CB-CG 4.27Å; L257-K262 WeakPolarHBondContact O-CD 3.31Å; L257-K262 WeakPolarHBondContact O-CE 3.5Å; L257-K262 PolarHBondContact O-NZ 3.49Å; L257-K262 VanDerWaalsContact O-NZ 3.1Å; S258-K262 PolarHBondContact O-N 3.45Å; E259-K262 PolarHBondContact O-N 3.34Å; E259-K262 WeakPolarHBondContact OE1-CD 3.18Å; E259-K262 IonicContact OE1-NZ 3.22Å; E259-K262 PolarHBondContact OE1-NZ 2.89Å; E259-K262 WeakPolarHBondContact OE2-CD 3.49Å; E259-K262 IonicContact OE2-NZ 2.8Å; K262-K265 PolarHBondContact O-N 3.31Å; K262-K266 PolarHBondContact O-N 2.94Å
263A91.3Very high82.4Confident47 Ų4790.6 Ų90.639%0.38850%0.498SS..Hα-helixtrans-66.6-41.5176.600000112.6E259 A261 K266 K267E259-A263 WeakPolarHBondContact O-CB 3.44Å; E259-A263 PolarHBondContact O-N 3.2Å; A261-A263 VanDerWaalsContact C-N 3.35Å; A261-A263 PolarHBondContact O-N 3.49Å; A263-K266 PolarHBondContact O-N 3.21Å; A263-K267 WeakPolarHBondContact O-CG 3.17Å; A263-K267 PolarHBondContact O-N 2.94Å
264A91.6Very high84.1Confident55 Ų5592.7 Ų92.746%0.45550%0.498SS..Hα-helixtrans-60.8-43.9173.700000111.6L260 A261 K266 K267 L268L260-A264 VanDerWaalsContact O-CB 3.29Å; L260-A264 WeakPolarHBondContact O-CB 3.46Å; L260-A264 PolarHBondContact O-N 3.41Å; A261-A264 PolarHBondContact O-N 2.89Å; A264-K266 PolarHBondContact O-N 2.9Å; A264-K267 PolarHBondContact O-N 3.41Å; A264-L268 PolarHBondContact O-N 3.28Å
265K92.7Very high86.1Confident57 Ų5791 Ų9125%0.24848%0.48CS..Hα-helixtrans-61.8-41.4174.6-169.4171.2-169.1142.10112.5A261 K262 K267 L268 Q269 D346A261-K265 WeakPolarHBondContact O-CB 3.42Å; A261-K265 PolarHBondContact O-N 3.49Å; K262-K265 PolarHBondContact O-N 3.31Å; K265-K267 VanDerWaalsContact C-N 3.35Å; K265-K267 PolarHBondContact O-N 2.75Å; K265-L268 PolarHBondContact O-N 2.62Å; K265-Q269 WeakPolarHBondContact O-CB 3.4Å; K265-Q269 VanDerWaalsContact O-CG 3.23Å; K265-Q269 WeakPolarHBondContact O-CG 3.45Å; K265-Q269 PolarHBondContact O-N 2.94Å; K265-D346 WeakPolarHBondContact CB-OD2 3.3Å; K265-D346 WeakPolarHBondContact CD-OD1 3.39Å; K265-D346 WeakPolarHBondContact CE-OD1 3.19Å; K265-D346 IonicContact NZ-OD1 3.71Å; K265-D346 PolarHBondContact NZ-OD1 3.3Å
266K94.3Very high88.3Confident158 Ų15884.6 Ų84.669%0.68745%0.446SS*.Hα-helixtrans-62-40.3173.3-170.1179179.7-176.90111.6K262 A263 A264 Q269 A270K262-K266 PolarHBondContact O-N 2.94Å; A263-K266 PolarHBondContact O-N 3.21Å; A264-K266 PolarHBondContact O-N 2.9Å; K266-Q269 PolarHBondContact O-N 2.72Å; K266-A270 PolarHBondContact O-N 2.7Å
267K96.1Very high90.2Very high164 Ų16479.2 Ų79.271%0.71342%0.416SS*.Hα-helixtrans-66.1-39.2174.9-72.6179.3177.3-177.80112.5A263 A264 K265 A270A263-K267 WeakPolarHBondContact O-CG 3.17Å; A263-K267 PolarHBondContact O-N 2.94Å; A264-K267 PolarHBondContact O-N 3.41Å; K265-K267 VanDerWaalsContact C-N 3.35Å; K265-K267 PolarHBondContact O-N 2.75Å; K267-A270 PolarHBondContact O-N 2.8Å
268L95.9Very high91.8Very high13 Ų1375.6 Ų75.67%0.06840%0.396CS..Hα-helixtrans-62.5-43.9172.1-178.670.6000111.7A264 K265 A270 L271 F276 L279 D346 I347 D350 R354A264-L268 PolarHBondContact O-N 3.28Å; K265-L268 PolarHBondContact O-N 2.62Å; L268-A270 VanDerWaalsContact C-N 3.29Å; L268-A270 PolarHBondContact O-N 3.15Å; L268-L271 HydrophobicContact CD1-CD1 4.16Å; L268-L271 WeakPolarHBondContact O-CB 3.35Å; L268-L271 WeakPolarHBondContact O-CG 3.31Å; L268-L271 PolarHBondContact O-N 2.7Å; L268-F276 HydrophobicContact CD1-CD2 3.98Å; L268-F276 HydrophobicContact CD1-CE2 4.16Å; L268-F276 HydrophobicContact CG-CD2 4.46Å; L268-F276 HydrophobicContact CG-CE2 4.46Å; L268-L279 HydrophobicContact CD1-CD2 3.56Å; L268-D346 HydrophobicContact CD2-CB 3.79Å; L268-I347 HydrophobicContact CD1-CG1 4.26Å; L268-I347 HydrophobicContact CD2-CG1 4.1Å; L268-D350 HydrophobicContact CD2-CB 4.35Å; L268-R354 PolarHBondContact O-NH2 3.02Å
269Q95.1Very high92.7Very high74 Ų7474.7 Ų74.735%0.34639%0.385SS..Hα-helixtrans-63.8-33.1179.3-75.9173.4-100113K265 K266 L271 D350 R354K265-Q269 WeakPolarHBondContact O-CB 3.4Å; K265-Q269 VanDerWaalsContact O-CG 3.23Å; K265-Q269 WeakPolarHBondContact O-CG 3.45Å; K265-Q269 PolarHBondContact O-N 2.94Å; K266-Q269 PolarHBondContact O-N 2.72Å; Q269-L271 VanDerWaalsContact C-N 3.26Å; Q269-L271 PolarHBondContact O-N 2.75Å; Q269-D350 WeakPolarHBondContact CG-OD1 3.3Å; Q269-R354 PolarHBondContact O-NH2 2.9Å
270A96Very high93.4Very high85 Ų8568.4 Ų68.470%0.70236%0.356SS*.THydrogen-bonded Turntrans-71.6-13.4177.300000114.2K266 K267 L268K266-A270 PolarHBondContact O-N 2.7Å; K267-A270 PolarHBondContact O-N 2.8Å; L268-A270 VanDerWaalsContact C-N 3.29Å; L268-A270 PolarHBondContact O-N 3.15Å
271L95.1Very high93.9Very high50 Ų5062.7 Ų62.726%0.26233%0.326SS..SBendtrans-65.4137.2174.2-61.3-177000110.9L268 Q269 L275 F276 L279 R354L268-L271 HydrophobicContact CD1-CD1 4.16Å; L268-L271 WeakPolarHBondContact O-CB 3.35Å; L268-L271 WeakPolarHBondContact O-CG 3.31Å; L268-L271 PolarHBondContact O-N 2.7Å; Q269-L271 VanDerWaalsContact C-N 3.26Å; Q269-L271 PolarHBondContact O-N 2.75Å; L271-L275 HydrophobicContact CB-CB 4.36Å; L271-L275 HydrophobicContact CD2-CB 4.34Å; L271-F276 HydrophobicContact CB-CB 4.15Å; L271-L279 HydrophobicContact CD1-CD2 3.84Å; L271-R354 VanDerWaalsContact O-CZ 3.29Å; L271-R354 PolarHBondContact O-NH1 2.74Å; L271-R354 PolarHBondContact O-NH2 3.2Å
272N93.9Very high94.5Very high88 Ų8862 Ų6247%0.47132%0.318SS..  trans-65.6162.8165.770.253.1000110.7R274 L275 F276N272-R274 VanDerWaalsContact C-N 3.29Å; N272-R274 PolarHBondContact O-N 3.41Å; N272-R274 WeakPolarHBondContact OD1-CB 3.36Å; N272-R274 PolarHBondContact OD1-N 3.37Å; N272-R274 VanDerWaalsContact OD1-N 3.16Å; N272-L275 WeakPolarHBondContact ND2-CD1 3.35Å; N272-L275 PolarHBondContact O-N 2.84Å; N272-L275 PolarHBondContact OD1-N 2.79Å; N272-F276 WeakPolarHBondContact O-CB 3.45Å; N272-F276 PolarHBondContact O-N 3.34Å
273N91.3Very high95Very high40 Ų4057.9 Ų57.921%0.21430%0.3CS..Hα-helixtrans-56.9-40.3-173.9-67.3-23.1000112.7F276 E277 R354 D535N273-F276 PolarHBondContact O-N 2.89Å; N273-E277 WeakPolarHBondContact O-CB 3.46Å; N273-E277 VanDerWaalsContact O-CD 3.27Å; N273-E277 WeakPolarHBondContact O-CG 3.46Å; N273-E277 PolarHBondContact O-N 2.77Å; N273-R354 WeakPolarHBondContact OD1-CD 3.4Å; N273-R354 PolarHBondContact OD1-NH1 2.92Å; N273-D535 PolarHBondContact ND2-OD1 3.31Å
274R92.5Very high95.3Very high148 Ų14856 Ų5656%0.55828%0.283SS*.Hα-helixtrans-62.4-50.8177.8177-175.5168.1173.2-0.3112.6N272 F276 E277 E278N272-R274 VanDerWaalsContact C-N 3.29Å; N272-R274 PolarHBondContact O-N 3.41Å; N272-R274 WeakPolarHBondContact OD1-CB 3.36Å; N272-R274 PolarHBondContact OD1-N 3.37Å; N272-R274 VanDerWaalsContact OD1-N 3.16Å; R274-F276 PolarHBondContact O-N 3.16Å; R274-E277 WeakPolarHBondContact O-CB 3.35Å; R274-E277 PolarHBondContact O-N 2.88Å; R274-E278 IonicContact CZ-OE1 2.8Å; R274-E278 VanDerWaalsContact CZ-OE1 3.31Å; R274-E278 IonicContact NE-OE1 3.09Å; R274-E278 PolarHBondContact NE-OE1 3.33Å; R274-E278 IonicContact NH2-OE1 3.67Å; R274-E278 PolarHBondContact NH2-OE1 3.22Å; R274-E278 WeakPolarHBondContact O-CG 3.48Å; R274-E278 PolarHBondContact O-N 2.75Å
275L94.9Very high95.6Very high78 Ų7854 Ų5441%0.40827%0.265SS..Hα-helixtrans-66.6-30.3-180-66.9176.1000111.8L271 N272 L279L271-L275 HydrophobicContact CB-CB 4.36Å; L271-L275 HydrophobicContact CD2-CB 4.34Å; N272-L275 WeakPolarHBondContact ND2-CD1 3.35Å; N272-L275 PolarHBondContact O-N 2.84Å; N272-L275 PolarHBondContact OD1-N 2.79Å; L275-L279 WeakPolarHBondContact O-CB 3.49Å; L275-L279 PolarHBondContact O-N 2.87Å; L275-L279 VanDerWaalsContact O-N 3.08Å
276F96.6Very high95.9Very high3 Ų351.3 Ų51.31%0.01325%0.253CS..Hα-helixtrans-71-41.5172.3173.7-102000112.5L268 L271 N272 N273 R274 L279 A280 I347 D350 A351 R354 I539L268-F276 HydrophobicContact CD1-CD2 3.98Å; L268-F276 HydrophobicContact CD1-CE2 4.16Å; L268-F276 HydrophobicContact CG-CD2 4.46Å; L268-F276 HydrophobicContact CG-CE2 4.46Å; L271-F276 HydrophobicContact CB-CB 4.15Å; N272-F276 WeakPolarHBondContact O-CB 3.45Å; N272-F276 PolarHBondContact O-N 3.34Å; N273-F276 PolarHBondContact O-N 2.89Å; R274-F276 PolarHBondContact O-N 3.16Å; F276-L279 PolarHBondContact O-N 2.84Å; F276-A280 VanDerWaalsContact O-CB 3.25Å; F276-A280 WeakPolarHBondContact O-CB 3.37Å; F276-A280 PolarHBondContact O-N 3.2Å; F276-I347 HydrophobicContact CE2-CB 4.44Å; F276-I347 HydrophobicContact CE2-CG1 4.29Å; F276-I347 HydrophobicContact CE2-CG2 4.18Å; F276-I347 HydrophobicContact CZ-CG2 4.05Å; F276-D350 HydrophobicContact CD2-CB 4.42Å; F276-D350 HydrophobicContact CE2-CB 3.56Å; F276-D350 HydrophobicContact CZ-CB 3.67Å; F276-A351 HydrophobicContact CE1-CB 4.24Å; F276-A351 HydrophobicContact CZ-CB 4.14Å; F276-R354 VanDerWaalsContact CD1-CD 3.47Å; F276-I539 HydrophobicContact CD1-CD1 4.49Å; F276-I539 HydrophobicContact CE1-CD1 3.62Å; F276-I539 HydrophobicContact CE1-CG1 4.25Å; F276-I539 HydrophobicContact CZ-CD1 4.14Å
277E94.1Very high96.1Very high36 Ų3643.8 Ų43.817%0.16822%0.22CC..Hα-helixtrans-58.9-48.1171.7-72.4153.1-155.200110.7N273 R274 L279 A280 M281 R534 I539N273-E277 WeakPolarHBondContact O-CB 3.46Å; N273-E277 VanDerWaalsContact O-CD 3.27Å; N273-E277 WeakPolarHBondContact O-CG 3.46Å; N273-E277 PolarHBondContact O-N 2.77Å; R274-E277 WeakPolarHBondContact O-CB 3.35Å; R274-E277 PolarHBondContact O-N 2.88Å; E277-L279 PolarHBondContact O-N 3.49Å; E277-A280 PolarHBondContact O-N 3.25Å; E277-M281 WeakPolarHBondContact O-CG 3.37Å; E277-M281 PolarHBondContact O-N 2.9Å; E277-R534 IonicContact OE2-NH1 2.75Å; E277-R534 PolarHBondContact OE2-NH1 3.07Å; E277-I539 HydrophobicContact CB-CG2 4.28Å; E277-I539 HydrophobicContact CG-CG2 4.04Å
278E95.3Very high96.1Very high35 Ų3536.5 Ų36.516%0.16419%0.189CC..Hα-helixtrans-59.8-44.9177.4-72.6173.7-168.400112.1R274 M281 D282R274-E278 IonicContact CZ-OE1 2.8Å; R274-E278 VanDerWaalsContact CZ-OE1 3.31Å; R274-E278 IonicContact NE-OE1 3.09Å; R274-E278 PolarHBondContact NE-OE1 3.33Å; R274-E278 IonicContact NH2-OE1 3.67Å; R274-E278 PolarHBondContact NH2-OE1 3.22Å; R274-E278 WeakPolarHBondContact O-CG 3.48Å; R274-E278 PolarHBondContact O-N 2.75Å; E278-M281 HydrophobicContact CG-CE 4.41Å; E278-M281 PolarHBondContact O-N 3.14Å; E278-D282 PolarHBondContact O-N 2.81Å; E278-D282 VanDerWaalsContact O-N 3.07Å
279L97.6Very high96.2Very high53 Ų5337.1 Ų37.128%0.27719%0.191SC..Hα-helixtrans-66.7-38.7174.8176.560.8000112.8L268 L271 L275 F276 E277 M281 D282 V283L268-L279 HydrophobicContact CD1-CD2 3.56Å; L271-L279 HydrophobicContact CD1-CD2 3.84Å; L275-L279 WeakPolarHBondContact O-CB 3.49Å; L275-L279 PolarHBondContact O-N 2.87Å; L275-L279 VanDerWaalsContact O-N 3.08Å; F276-L279 PolarHBondContact O-N 2.84Å; E277-L279 PolarHBondContact O-N 3.49Å; L279-M281 VanDerWaalsContact C-N 3.34Å; L279-D282 PolarHBondContact O-N 2.97Å; L279-V283 HydrophobicContact CD1-CG2 4.29Å; L279-V283 WeakPolarHBondContact O-CG2 3.23Å; L279-V283 PolarHBondContact O-N 3.14Å
280A97.9Very high96.3Very high0 Ų035.7 Ų35.70%018%0.182CC..Hα-helixtrans-65.3-38.2178.300000111.6L226 F276 E277 V283 Y284 I347 I539L226-A280 HydrophobicContact CD1-CB 4.06Å; L226-A280 HydrophobicContact CD2-CB 3.97Å; F276-A280 VanDerWaalsContact O-CB 3.25Å; F276-A280 WeakPolarHBondContact O-CB 3.37Å; F276-A280 PolarHBondContact O-N 3.2Å; E277-A280 PolarHBondContact O-N 3.25Å; A280-V283 PolarHBondContact O-N 3.39Å; A280-Y284 WeakPolarHBondContact O-CB 3.44Å; A280-Y284 PolarHBondContact O-N 3.25Å; A280-I347 HydrophobicContact CB-CG2 4.11Å; A280-I539 HydrophobicContact CB-CD1 4.07Å; A280-I539 HydrophobicContact CB-CG2 4.35Å
281M96.2Very high96.2Very high18 Ų1833.8 Ų33.89%0.08916%0.159CC..Hα-helixtrans-65.8-41.1171.5-72.3-176-69.100112L226 E277 E278 L279 V283 Y284 D285 E543L226-M281 HydrophobicContact CD1-CG 4.07Å; E277-M281 WeakPolarHBondContact O-CG 3.37Å; E277-M281 PolarHBondContact O-N 2.9Å; E278-M281 HydrophobicContact CG-CE 4.41Å; E278-M281 PolarHBondContact O-N 3.14Å; L279-M281 VanDerWaalsContact C-N 3.34Å; M281-V283 VanDerWaalsContact C-N 3.32Å; M281-V283 PolarHBondContact O-N 3.12Å; M281-Y284 PolarHBondContact O-N 3.23Å; M281-D285 PolarHBondContact O-N 3.5Å; M281-E543 HydrophobicContact CE-CG 3.58Å; M281-E543 HydrophobicContact SD-CG 4.05Å
282D98.3Very high96.1Very high13 Ų1331.7 Ų31.77%0.0715%0.148CC..Hα-helixtrans-64.6-33.8177-73.3-14.3000112.3E278 L279 E286 R325 R329 L332E278-D282 PolarHBondContact O-N 2.81Å; E278-D282 VanDerWaalsContact O-N 3.07Å; L279-D282 PolarHBondContact O-N 2.97Å; D282-E286 PolarHBondContact O-N 3.46Å; D282-R325 IonicContact OD1-CZ 2.69Å; D282-R325 IonicContact OD1-NE 2.68Å; D282-R325 IonicContact OD1-NH2 2.64Å; D282-R325 PolarHBondContact OD1-NH2 3.38Å; D282-R325 WeakPolarHBondContact OD2-CG 3.31Å; D282-R325 IonicContact OD2-NE 2.85Å; D282-R325 PolarHBondContact OD2-NE 3.11Å; D282-R325 VanDerWaalsContact OD2-NE 3.12Å; D282-R329 HydrophobicContact CB-CG 3.75Å; D282-R329 VanDerWaalsContact OD1-CD 3.28Å; D282-R329 WeakPolarHBondContact OD1-CD 3.39Å; D282-R329 WeakPolarHBondContact OD1-CG 3.42Å; D282-R329 IonicContact OD1-CZ 3.5Å; D282-R329 IonicContact OD1-NE 3.55Å; D282-R329 IonicContact OD1-NH1 3.6Å; D282-R329 PolarHBondContact OD1-NH1 3.1Å; D282-R329 WeakPolarHBondContact OD2-CG 3.31Å; D282-L332 HydrophobicContact CB-CD1 4.43Å; D282-L332 VanDerWaalsContact O-CD1 3.23Å; D282-L332 WeakPolarHBondContact O-CD1 3.4Å
283V98.6Very high96.1Very high0 Ų029.1 Ų29.10%013%0.134CC..Hα-helixtrans-76.6-35.6173.1174.50000112.6L230 L279 A280 M281 D285 E286 V287 L332 F340 L343 I344 I347L230-V283 HydrophobicContact CD2-CG1 4.1Å; L279-V283 HydrophobicContact CD1-CG2 4.29Å; L279-V283 WeakPolarHBondContact O-CG2 3.23Å; L279-V283 PolarHBondContact O-N 3.14Å; A280-V283 PolarHBondContact O-N 3.39Å; M281-V283 VanDerWaalsContact C-N 3.32Å; M281-V283 PolarHBondContact O-N 3.12Å; V283-D285 VanDerWaalsContact C-N 3.31Å; V283-D285 PolarHBondContact O-N 3.11Å; V283-E286 PolarHBondContact O-N 3.17Å; V283-V287 PolarHBondContact O-N 3.28Å; V283-L332 HydrophobicContact CG2-CD1 3.99Å; V283-L332 HydrophobicContact CG2-CD2 4.19Å; V283-F340 HydrophobicContact CG1-CE2 4.09Å; V283-F340 HydrophobicContact CG1-CZ 4.19Å; V283-L343 HydrophobicContact CG2-CD2 3.78Å; V283-L343 HydrophobicContact CG2-CG 4.31Å; V283-I344 HydrophobicContact CG1-CD1 4.46Å; V283-I344 HydrophobicContact CG1-CG1 3.8Å; V283-I347 HydrophobicContact CB-CD1 4.02Å; V283-I347 HydrophobicContact CG1-CD1 4.15Å; V283-I347 HydrophobicContact CG2-CD1 3.73Å
284Y98.3Very high96.1Very high9 Ų929.8 Ų29.84%0.03515%0.145CC..Hα-helixtrans-60.5-42170.9177.5-77.8000111.4E225 L226 R229 A280 M281 E286 V287 D288 M541E225-Y284 HydrophobicContact CG-CE2 4.49Å; L226-Y284 HydrophobicContact CB-CD2 4.45Å; L226-Y284 HydrophobicContact CG-CD2 4.08Å; L226-Y284 HydrophobicContact CG-CG 4.49Å; R229-Y284 HydrophobicContact CB-CD2 4.09Å; R229-Y284 HydrophobicContact CB-CE2 3.62Å; R229-Y284 VanDerWaalsContact CD-CZ 3.42Å; R229-Y284 HydrophobicContact CG-CE2 4.04Å; R229-Y284 VanDerWaalsContact NH1-CZ 3.32Å; R229-Y284 PolarHBondContact NH1-OH 3.15Å; A280-Y284 WeakPolarHBondContact O-CB 3.44Å; A280-Y284 PolarHBondContact O-N 3.25Å; M281-Y284 PolarHBondContact O-N 3.23Å; Y284-E286 VanDerWaalsContact C-N 3.31Å; Y284-E286 PolarHBondContact O-N 2.77Å; Y284-V287 WeakPolarHBondContact O-CB 3.42Å; Y284-V287 PolarHBondContact O-N 2.87Å; Y284-D288 HydrophobicContact CE1-CB 4.42Å; Y284-D288 PolarHBondContact O-N 3.15Å; Y284-M541 HydrophobicContact CD1-CE 3.34Å; Y284-M541 HydrophobicContact CD1-SD 3.96Å; Y284-M541 HydrophobicContact CD2-CE 3.9Å; Y284-M541 HydrophobicContact CD2-SD 3.39Å; Y284-M541 WeakPolarHBondContact CD2-SD 3.07Å; Y284-M541 HydrophobicContact CE1-CE 3.15Å; Y284-M541 HydrophobicContact CE1-SD 4.03Å; Y284-M541 HydrophobicContact CE2-CE 3.68Å; Y284-M541 HydrophobicContact CE2-SD 3.4Å; Y284-M541 WeakPolarHBondContact CE2-SD 3.25Å; Y284-M541 HydrophobicContact CG-CE 3.72Å; Y284-M541 HydrophobicContact CG-SD 3.65Å
285D98.1Very high96.2Very high13 Ų1323.7 Ų23.77%0.0712%0.124CC..Hα-helixtrans-58.6-42.3176.4-89.317.6000111.6R43 M281 V283 D288 R289 L315 R329R43-D285 VanDerWaalsContact CD-OD1 3.31Å; R43-D285 WeakPolarHBondContact CD-OD1 3.22Å; R43-D285 IonicContact CZ-OD1 3.65Å; R43-D285 IonicContact NE-OD1 2.75Å; R43-D285 IonicContact NH1-OD1 2.7Å; R43-D285 PolarHBondContact NH1-OD1 3.05Å; M281-D285 PolarHBondContact O-N 3.5Å; V283-D285 VanDerWaalsContact C-N 3.31Å; V283-D285 PolarHBondContact O-N 3.11Å; D285-D288 PolarHBondContact O-N 2.97Å; D285-R289 WeakPolarHBondContact O-CB 3.45Å; D285-R289 PolarHBondContact O-N 3.38Å; D285-L315 HydrophobicContact CB-CD1 3.76Å; D285-L315 HydrophobicContact CB-CD2 3.87Å; D285-R329 IonicContact OD2-CZ 3.71Å; D285-R329 VanDerWaalsContact OD2-CZ 3.22Å; D285-R329 IonicContact OD2-NH1 3.92Å; D285-R329 PolarHBondContact OD2-NH1 3.35Å; D285-R329 IonicContact OD2-NH2 2.72Å; D285-R329 PolarHBondContact OD2-NH2 2.97Å
286E98.3Very high95.9Very high0 Ų020.4 Ų20.40%011%0.106CC..Hα-helixtrans-69.9-33.6176.6178.361.9-167.900112.4D282 V283 Y284 R289 R290 L315 L332 A333 F340D282-E286 PolarHBondContact O-N 3.46Å; V283-E286 PolarHBondContact O-N 3.17Å; Y284-E286 VanDerWaalsContact C-N 3.31Å; Y284-E286 PolarHBondContact O-N 2.77Å; E286-R289 PolarHBondContact O-N 2.94Å; E286-R289 IonicContact OE1-CZ 2.62Å; E286-R289 IonicContact OE1-NE 3.96Å; E286-R289 IonicContact OE1-NH2 3.89Å; E286-R289 PolarHBondContact OE1-NH2 3.13Å; E286-R289 IonicContact OE2-CZ 3.28Å; E286-R289 IonicContact OE2-NE 3.79Å; E286-R289 PolarHBondContact OE2-NE 3.44Å; E286-R289 IonicContact OE2-NH2 3.39Å; E286-R290 WeakPolarHBondContact O-CB 3.46Å; E286-R290 VanDerWaalsContact O-CG 3.31Å; E286-R290 WeakPolarHBondContact O-CG 3.43Å; E286-R290 PolarHBondContact O-N 3.09Å; E286-R290 IonicContact OE1-CZ 3.71Å; E286-R290 IonicContact OE1-NE 2.7Å; E286-R290 PolarHBondContact OE1-NE 2.93Å; E286-R290 IonicContact OE1-NH2 3.24Å; E286-R290 PolarHBondContact OE1-NH2 3.48Å; E286-L315 HydrophobicContact CB-CD1 4.2Å; E286-L332 HydrophobicContact CB-CB 4.07Å; E286-L332 HydrophobicContact CB-CD1 4.11Å; E286-L332 HydrophobicContact CG-CB 3.87Å; E286-A333 WeakPolarHBondContact OE1-CA 3.35Å; E286-F340 HydrophobicContact CB-CE2 4.12Å; E286-F340 HydrophobicContact CB-CZ 3.86Å; E286-F340 HydrophobicContact CG-CE1 4.33Å; E286-F340 HydrophobicContact CG-CE2 3.64Å; E286-F340 HydrophobicContact CG-CZ 3.48Å; E286-F340 VanDerWaalsContact CG-CZ 3.48Å
287V97.9Very high95.6Very high0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-62.7-46.9169163.80000110.9R229 L230 Y233 V283 Y284 R289 R290 E291 F340 I344R229-V287 HydrophobicContact CG-CG1 4.1Å; L230-V287 HydrophobicContact CD2-CB 4.31Å; L230-V287 HydrophobicContact CD2-CG2 3.68Å; Y233-V287 HydrophobicContact CD1-CG2 3.99Å; Y233-V287 HydrophobicContact CD2-CB 4.5Å; Y233-V287 HydrophobicContact CD2-CG1 3.8Å; Y233-V287 HydrophobicContact CD2-CG2 4.29Å; Y233-V287 HydrophobicContact CE1-CG2 4.4Å; Y233-V287 HydrophobicContact CG-CG1 3.85Å; Y233-V287 HydrophobicContact CG-CG2 3.95Å; V283-V287 PolarHBondContact O-N 3.28Å; Y284-V287 WeakPolarHBondContact O-CB 3.42Å; Y284-V287 PolarHBondContact O-N 2.87Å; V287-R289 VanDerWaalsContact C-N 3.29Å; V287-R289 PolarHBondContact O-N 3.13Å; V287-R290 PolarHBondContact O-N 2.87Å; V287-E291 HydrophobicContact CG1-CG 4.37Å; V287-E291 WeakPolarHBondContact O-CB 3.29Å; V287-E291 WeakPolarHBondContact O-CG 3.47Å; V287-E291 PolarHBondContact O-N 2.99Å; V287-F340 HydrophobicContact CG2-CE1 3.71Å; V287-F340 HydrophobicContact CG2-CZ 3.83Å; V287-I344 HydrophobicContact CG2-CD1 3.72Å
288D96.6Very high95.3Very high10 Ų1029.3 Ų29.35%0.05316%0.158CC..Hα-helixtrans-59.2-39.9175.8-177.390.9000111.9R43 R229 Y284 D285 N292R43-D288 WeakPolarHBondContact CD-OD2 2.93Å; R43-D288 IonicContact NE-OD2 3.34Å; R229-D288 IonicContact CZ-OD1 2.81Å; R229-D288 IonicContact NH1-OD1 2.75Å; R229-D288 PolarHBondContact NH1-OD1 3.03Å; R229-D288 IonicContact NH2-OD1 3.62Å; R229-D288 PolarHBondContact NH2-OD1 2.92Å; Y284-D288 HydrophobicContact CE1-CB 4.42Å; Y284-D288 PolarHBondContact O-N 3.15Å; D285-D288 PolarHBondContact O-N 2.97Å; D288-N292 VanDerWaalsContact O-CB 3.24Å; D288-N292 WeakPolarHBondContact O-CB 3.37Å; D288-N292 PolarHBondContact O-N 3.2Å; D288-N292 PolarHBondContact O-ND2 3.07Å; D288-N292 PolarHBondContact OD2-ND2 3.04Å
289R97.3Very high94.9Very high27 Ų2729.3 Ų29.310%0.10216%0.161CC..Hα-helixtrans-64-50.1174.4-162.5-167.167.666.716111.7D285 E286 V287 E291 N292 D293 V312 F314 L315D285-R289 WeakPolarHBondContact O-CB 3.45Å; D285-R289 PolarHBondContact O-N 3.38Å; E286-R289 PolarHBondContact O-N 2.94Å; E286-R289 IonicContact OE1-CZ 2.62Å; E286-R289 IonicContact OE1-NE 3.96Å; E286-R289 IonicContact OE1-NH2 3.89Å; E286-R289 PolarHBondContact OE1-NH2 3.13Å; E286-R289 IonicContact OE2-CZ 3.28Å; E286-R289 IonicContact OE2-NE 3.79Å; E286-R289 PolarHBondContact OE2-NE 3.44Å; E286-R289 IonicContact OE2-NH2 3.39Å; V287-R289 VanDerWaalsContact C-N 3.29Å; V287-R289 PolarHBondContact O-N 3.13Å; R289-E291 PolarHBondContact O-N 3.16Å; R289-N292 PolarHBondContact O-N 3.26Å; R289-D293 IonicContact CZ-OD2 3.83Å; R289-D293 IonicContact NH1-OD2 3.68Å; R289-D293 PolarHBondContact NH1-OD2 3.04Å; R289-D293 WeakPolarHBondContact O-CB 3.22Å; R289-D293 VanDerWaalsContact O-CG 3.32Å; R289-D293 PolarHBondContact O-N 2.71Å; R289-V312 PolarHBondContact NH1-O 2.89Å; R289-F314 VanDerWaalsContact CD-C 3.49Å; R289-L315 HydrophobicContact CB-CD2 4.03Å; R289-L315 HydrophobicContact CG-CD2 4.42Å
290R96.8Very high94.2Very high43 Ų4328 Ų2816%0.16215%0.153CC..Hα-helixtrans-64.4-38.8-179.6-71.8-179.5-172.3-142.45.2112.7Y233 E286 V287 A294 L332 F335Y233-R290 HydrophobicContact CE2-CB 4.11Å; Y233-R290 WeakPolarHBondContact OH-CD 3.36Å; E286-R290 WeakPolarHBondContact O-CB 3.46Å; E286-R290 VanDerWaalsContact O-CG 3.31Å; E286-R290 WeakPolarHBondContact O-CG 3.43Å; E286-R290 PolarHBondContact O-N 3.09Å; E286-R290 IonicContact OE1-CZ 3.71Å; E286-R290 IonicContact OE1-NE 2.7Å; E286-R290 PolarHBondContact OE1-NE 2.93Å; E286-R290 IonicContact OE1-NH2 3.24Å; E286-R290 PolarHBondContact OE1-NH2 3.48Å; V287-R290 PolarHBondContact O-N 2.87Å; R290-A294 PolarHBondContact O-N 3.18Å; R290-A294 VanDerWaalsContact O-N 3.11Å; R290-L332 PolarHBondContact NH2-O 2.94Å; R290-F335 PolarHBondContact NH1-O 3.42Å; R290-F335 VanDerWaalsContact NH1-O 3.14Å; R290-F335 PolarHBondContact NH2-O 3.07Å
291E94.8Very high93.1Very high46 Ų4634 Ų3422%0.21519%0.185CC..Hα-helixtrans-66-48173.2-72.8-176.9155.500111.7R229 Y233 V287 R289 D293 A294 V295R229-E291 IonicContact CZ-OE2 3.64Å; R229-E291 IonicContact NE-OE2 3.72Å; R229-E291 PolarHBondContact NE-OE2 2.95Å; R229-E291 IonicContact NH2-OE2 3.58Å; R229-E291 PolarHBondContact NH2-OE2 3.33Å; Y233-E291 HydrophobicContact CD2-CG 3.98Å; Y233-E291 HydrophobicContact CE2-CG 4.49Å; V287-E291 HydrophobicContact CG1-CG 4.37Å; V287-E291 WeakPolarHBondContact O-CB 3.29Å; V287-E291 WeakPolarHBondContact O-CG 3.47Å; V287-E291 PolarHBondContact O-N 2.99Å; R289-E291 PolarHBondContact O-N 3.16Å; E291-D293 VanDerWaalsContact C-N 3.29Å; E291-D293 PolarHBondContact O-N 3.39Å; E291-A294 PolarHBondContact O-N 3.28Å; E291-V295 WeakPolarHBondContact O-CG2 3.35Å; E291-V295 PolarHBondContact O-N 3.27Å
292N93.8Very high91.7Very high6 Ų640.3 Ų40.33%0.03222%0.215CC..Hα-helixtrans-64.8-31.8178.3-81.2-50.4000112.4V48 D288 R289 W296V48-N292 PolarHBondContact O-ND2 3.26Å; D288-N292 VanDerWaalsContact O-CB 3.24Å; D288-N292 WeakPolarHBondContact O-CB 3.37Å; D288-N292 PolarHBondContact O-N 3.2Å; D288-N292 PolarHBondContact O-ND2 3.07Å; D288-N292 PolarHBondContact OD2-ND2 3.04Å; R289-N292 PolarHBondContact O-N 3.26Å; N292-W296 VanDerWaalsContact O-CB 3.26Å; N292-W296 WeakPolarHBondContact O-CB 3.42Å; N292-W296 PolarHBondContact O-N 3.45Å
293D92.9Very high90.2Very high34 Ų3444.6 Ų44.618%0.18225%0.245CC..Hα-helixtrans-65-44.5171.3-80.23.6000112.1R39 R289 E291 V295 W296 L297R39-D293 IonicContact CZ-OD1 3.91Å; R39-D293 IonicContact NH2-OD1 2.61Å; R39-D293 PolarHBondContact NH2-OD1 2.91Å; R289-D293 IonicContact CZ-OD2 3.83Å; R289-D293 IonicContact NH1-OD2 3.68Å; R289-D293 PolarHBondContact NH1-OD2 3.04Å; R289-D293 WeakPolarHBondContact O-CB 3.22Å; R289-D293 VanDerWaalsContact O-CG 3.32Å; R289-D293 PolarHBondContact O-N 2.71Å; E291-D293 VanDerWaalsContact C-N 3.29Å; E291-D293 PolarHBondContact O-N 3.39Å; D293-V295 VanDerWaalsContact C-N 3.34Å; D293-V295 PolarHBondContact O-N 3.36Å; D293-W296 WeakPolarHBondContact O-CB 3.24Å; D293-W296 PolarHBondContact O-N 3.01Å; D293-L297 WeakPolarHBondContact O-CB 3.49Å; D293-L297 WeakPolarHBondContact O-CG 3.34Å; D293-L297 PolarHBondContact O-N 2.85Å
294A92.4Very high88.6Confident54 Ų5446.6 Ų46.645%0.44626%0.257SS..Hα-helixtrans-64.6-39177.200000112R290 E291 T298R290-A294 PolarHBondContact O-N 3.18Å; R290-A294 VanDerWaalsContact O-N 3.11Å; E291-A294 PolarHBondContact O-N 3.28Å; A294-T298 WeakPolarHBondContact O-CG2 3.45Å; A294-T298 PolarHBondContact O-N 3.43Å; A294-T298 PolarHBondContact O-OG1 2.91Å
295V92.8Very high87.1Confident19 Ų1949.1 Ų49.112%0.11527%0.271CS..Hα-helixtrans-66.6-40.9172.51770000111.1W21 H50 H53 E291 D293 T298 T299W21-V295 HydrophobicContact CH2-CB 4.2Å; W21-V295 HydrophobicContact CH2-CG1 3.72Å; W21-V295 HydrophobicContact CZ2-CG1 4.12Å; W21-V295 HydrophobicContact CZ3-CG1 4.44Å; H50-V295 HydrophobicContact CB-CG1 3.63Å; H53-V295 HydrophobicContact CB-CG1 3.87Å; H53-V295 WeakPolarHBondContact O-CG2 3.4Å; E291-V295 WeakPolarHBondContact O-CG2 3.35Å; E291-V295 PolarHBondContact O-N 3.27Å; D293-V295 VanDerWaalsContact C-N 3.34Å; D293-V295 PolarHBondContact O-N 3.36Å; V295-T298 WeakPolarHBondContact CA-OG1 3.19Å; V295-T298 PolarHBondContact O-N 3.25Å; V295-T298 PolarHBondContact O-OG1 2.91Å; V295-T299 HydrophobicContact CG1-CG2 4.1Å; V295-T299 WeakPolarHBondContact O-CB 3.18Å; V295-T299 VanDerWaalsContact O-CG2 3.26Å; V295-T299 WeakPolarHBondContact O-CG2 3.27Å; V295-T299 PolarHBondContact O-N 3.38Å; V295-T299 PolarHBondContact O-OG1 3.14Å
296W90.3Very high85.1Confident10 Ų1053.2 Ų53.24%0.03830%0.296CS..Hα-helixtrans-60.5-49.1176.2-174-99.4000111.7W21 D32 C35 N292 D293 T298 T299 Q300 T304W21-W296 HydrophobicContact CH2-CE3 4.29Å; W21-W296 AromaticContact CZ2-CE3 3.74Å; W21-W296 HydrophobicContact CZ2-CE3 3.74Å; W21-W296 HydrophobicContact CZ2-CZ3 4.32Å; D32-W296 HydrophobicContact CB-CH2 4.28Å; D32-W296 HydrophobicContact CB-CZ3 4.22Å; D32-W296 VanDerWaalsContact O-CH2 3.3Å; D32-W296 WeakPolarHBondContact O-CH2 3.3Å; C35-W296 HydrophobicContact CB-CZ3 4.28Å; N292-W296 VanDerWaalsContact O-CB 3.26Å; N292-W296 WeakPolarHBondContact O-CB 3.42Å; N292-W296 PolarHBondContact O-N 3.45Å; D293-W296 WeakPolarHBondContact O-CB 3.24Å; D293-W296 PolarHBondContact O-N 3.01Å; W296-T298 PolarHBondContact O-N 2.96Å; W296-T299 PolarHBondContact O-N 3.13Å; W296-T299 PolarHBondContact O-OG1 3.03Å; W296-Q300 HydrophobicContact CD2-CG 3.58Å; W296-Q300 VanDerWaalsContact CE2-CG 3.41Å; W296-Q300 HydrophobicContact CE3-CG 3.98Å; W296-Q300 HydrophobicContact CG-CG 4.04Å; W296-Q300 HydrophobicContact CH2-CG 3.98Å; W296-Q300 HydrophobicContact CZ2-CG 3.64Å; W296-Q300 HydrophobicContact CZ3-CG 4.16Å; W296-Q300 WeakPolarHBondContact O-CB 3.37Å; W296-Q300 WeakPolarHBondContact O-CG 3.32Å; W296-Q300 PolarHBondContact O-N 3.03Å; W296-T304 HydrophobicContact CZ2-CG2 4.32Å
297L88.6Confident83.3Confident116 Ų11656.7 Ų56.761%0.60732%0.318SS*.Hα-helixtrans-62.6-26.1178.6-71.9167.5000113.9D293 L305D293-L297 WeakPolarHBondContact O-CB 3.49Å; D293-L297 WeakPolarHBondContact O-CG 3.34Å; D293-L297 PolarHBondContact O-N 2.85Å; L297-L305 HydrophobicContact CD2-CD1 4.33Å; L297-L305 HydrophobicContact CD2-CD2 4.08Å
298T88.6Confident81.1Confident109 Ų10965.1 Ų65.167%0.66936%0.357SS*.Hα-helixtrans-95.6-10.6179.649.80000114.4A294 V295 W296A294-T298 WeakPolarHBondContact O-CG2 3.45Å; A294-T298 PolarHBondContact O-N 3.43Å; A294-T298 PolarHBondContact O-OG1 2.91Å; V295-T298 WeakPolarHBondContact CA-OG1 3.19Å; V295-T298 PolarHBondContact O-N 3.25Å; V295-T298 PolarHBondContact O-OG1 2.91Å; W296-T298 PolarHBondContact O-N 2.96Å
299T86.8Confident79.4Confident35 Ų3574.8 Ų74.822%0.21539%0.393CS..Hα-helixtrans-111.7-23.9-177.854.30000113.8H53 V295 W296H53-T299 HydrophobicContact CB-CG2 4.02Å; V295-T299 HydrophobicContact CG1-CG2 4.1Å; V295-T299 WeakPolarHBondContact O-CB 3.18Å; V295-T299 VanDerWaalsContact O-CG2 3.26Å; V295-T299 WeakPolarHBondContact O-CG2 3.27Å; V295-T299 PolarHBondContact O-N 3.38Å; V295-T299 PolarHBondContact O-OG1 3.14Å; W296-T299 PolarHBondContact O-N 3.13Å; W296-T299 PolarHBondContact O-OG1 3.03Å
300Q82.1Confident78Confident25 Ų2574.1 Ų74.112%0.11739%0.393CS..SBendtrans-84144.7-179.8-64.5-42.2-71.300113.8D32 W296 T304 L305D32-Q300 PolarHBondContact OD1-NE2 3.36Å; W296-Q300 HydrophobicContact CD2-CG 3.58Å; W296-Q300 VanDerWaalsContact CE2-CG 3.41Å; W296-Q300 HydrophobicContact CE3-CG 3.98Å; W296-Q300 HydrophobicContact CG-CG 4.04Å; W296-Q300 HydrophobicContact CH2-CG 3.98Å; W296-Q300 HydrophobicContact CZ2-CG 3.64Å; W296-Q300 HydrophobicContact CZ3-CG 4.16Å; W296-Q300 WeakPolarHBondContact O-CB 3.37Å; W296-Q300 WeakPolarHBondContact O-CG 3.32Å; W296-Q300 PolarHBondContact O-N 3.03Å; Q300-T304 HydrophobicContact CG-CG2 4.48Å; Q300-L305 HydrophobicContact CB-CD1 4.37Å; Q300-L305 HydrophobicContact CB-CD2 3.72Å; Q300-L305 HydrophobicContact CB-CG 3.82Å; Q300-L305 HydrophobicContact CG-CD2 4.21Å
301N75.8Confident77Confident126 Ų12675.3 Ų75.367%0.67441%0.411SS*.  trans-65147.4168.4-70.9-57.7000111.3S303 T304 L305N301-S303 PolarHBondContact O-N 2.87Å; N301-S303 VanDerWaalsContact O-N 3.08Å; N301-T304 WeakPolarHBondContact O-CB 3.29Å; N301-T304 PolarHBondContact O-N 3.37Å; N301-L305 PolarHBondContact O-N 3.09Å
302H65.9Low76.5Confident152 Ų15273.8 Ų73.870%0.70441%0.405SS*.Hα-helixtrans-54.8-31.7-179.7-166.3-58.3000113.3T304 L305 V306H302-T304 VanDerWaalsContact C-N 3.31Å; H302-T304 PolarHBondContact O-N 3.28Å; H302-L305 PolarHBondContact O-N 3.39Å; H302-V306 WeakPolarHBondContact ND1-CG2 3.33Å; H302-V306 WeakPolarHBondContact O-CG2 3.47Å; H302-V306 PolarHBondContact O-N 3.12Å
303S66.9Low76.3Confident102 Ų10277.4 Ų77.471%0.71343%0.429SS*.Hα-helixtrans-67.4-27.6175.6-169.20000113.7N301N301-S303 PolarHBondContact O-N 2.87Å; N301-S303 VanDerWaalsContact O-N 3.08Å
304T65.9Low76.5Confident42 Ų4280.4 Ų80.426%0.25844%0.441SS..Hα-helixtrans-78.3-42.3175.4-44.40000110.2W296 Q300 N301 H302 V306 T307W296-T304 HydrophobicContact CZ2-CG2 4.32Å; Q300-T304 HydrophobicContact CG-CG2 4.48Å; N301-T304 WeakPolarHBondContact O-CB 3.29Å; N301-T304 PolarHBondContact O-N 3.37Å; H302-T304 VanDerWaalsContact C-N 3.31Å; H302-T304 PolarHBondContact O-N 3.28Å; T304-V306 VanDerWaalsContact C-N 3.34Å; T304-V306 PolarHBondContact O-N 3.16Å; T304-T307 PolarHBondContact O-N 3.47Å; T304-T307 VanDerWaalsContact O-N 3.15Å; T304-T307 PolarHBondContact O-OG1 2.85Å
305L66.1Low76.7Confident62 Ų6278.2 Ų78.233%0.32542%0.422SS..Hα-helixtrans-67.2-29.9-176.6-66.5179.2000113.9L297 Q300 N301 H302 T307L297-L305 HydrophobicContact CD2-CD1 4.33Å; L297-L305 HydrophobicContact CD2-CD2 4.08Å; Q300-L305 HydrophobicContact CB-CD1 4.37Å; Q300-L305 HydrophobicContact CB-CD2 3.72Å; Q300-L305 HydrophobicContact CB-CG 3.82Å; Q300-L305 HydrophobicContact CG-CD2 4.21Å; N301-L305 PolarHBondContact O-N 3.09Å; H302-L305 PolarHBondContact O-N 3.39Å; L305-T307 PolarHBondContact O-N 3.12Å
306V56.6Low76.9Confident99 Ų9978.2 Ų78.260%0.642%0.422SS*.THydrogen-bonded Turntrans-71.9-12.7175.4171.70000112.6H302 T304 E308H302-V306 WeakPolarHBondContact ND1-CG2 3.33Å; H302-V306 WeakPolarHBondContact O-CG2 3.47Å; H302-V306 PolarHBondContact O-N 3.12Å; T304-V306 VanDerWaalsContact C-N 3.34Å; T304-V306 PolarHBondContact O-N 3.16Å; V306-E308 PolarHBondContact O-N 3.17Å
307T61.4Low77.2Confident73 Ų7381.6 Ų81.645%0.44844%0.444SS..  trans-86.7101.817465.80000111.4T304 L305 R309 S310T304-T307 PolarHBondContact O-N 3.47Å; T304-T307 VanDerWaalsContact O-N 3.15Å; T304-T307 PolarHBondContact O-OG1 2.85Å; L305-T307 PolarHBondContact O-N 3.12Å; T307-R309 PolarHBondContact O-N 3.44Å; T307-S310 PolarHBondContact O-N 3.41Å; T307-S310 VanDerWaalsContact O-N 3.14Å
308E50.8Low77.5Confident177 Ų17776.5 Ų76.583%0.82742%0.417SS*.G310 helixtrans-47.8-31.6-176.5-59.4178.6136.200114.3V306 S310 A311V306-E308 PolarHBondContact O-N 3.17Å; E308-S310 PolarHBondContact O-N 3.05Å; E308-A311 PolarHBondContact O-N 2.95Å
309R61.4Low77.8Confident213 Ų21375.5 Ų75.580%0.80441%0.412SS*.G310 helixtrans-67.1-2.9-176.4-59.2-177.2-176.7-174.20.4115T307T307-R309 PolarHBondContact O-N 3.44Å
310S67.1Low78Confident14 Ų1481.6 Ų81.610%0.09844%0.438CS..G310 helixtrans-1040.9176.6-58.50000114.2R39 T307 E308R39-S310 PolarHBondContact NH1-O 2.91Å; T307-S310 PolarHBondContact O-N 3.41Å; T307-S310 VanDerWaalsContact O-N 3.14Å; E308-S310 PolarHBondContact O-N 3.05Å
311A75.2Confident78.6Confident67 Ų6782.2 Ų82.255%0.55444%0.44SS*.  trans-84.6142.5176.500000111.9E308E308-A311 PolarHBondContact O-N 2.95Å
312V84.9Confident79.5Confident14 Ų1479.6 Ų79.69%0.08543%0.432CS..  trans-123.976.5173.8-177.10000107.7R39 R289 F314 P316R39-V312 HydrophobicContact CB-CG2 3.93Å; R289-V312 PolarHBondContact NH1-O 2.89Å; V312-F314 WeakPolarHBondContact CG1-O 3.29Å; V312-F314 PolarHBondContact O-N 3.14Å; V312-F314 VanDerWaalsContact O-N 3.16Å; V312-P316 HydrophobicContact CG1-CG 3.94Å
313P90.2Very high81Confident82 Ų8276.4 Ų76.453%0.53243%0.432SS..  trans-69.7-14.6-163.927.7-36.3000114.5A333P313-A333 WeakPolarHBondContact O-CB 3.46Å
314F96Very high82.4Confident98 Ų9877 Ų7743%0.4343%0.431SS..SBendtrans-151168.7176.247.3-108.8000109.4R289 V312 Q330 A333R289-F314 VanDerWaalsContact CD-C 3.49Å; V312-F314 WeakPolarHBondContact CG1-O 3.29Å; V312-F314 PolarHBondContact O-N 3.14Å; V312-F314 VanDerWaalsContact O-N 3.16Å; F314-Q330 HydrophobicContact CB-CB 4.34Å; F314-Q330 HydrophobicContact CB-CG 4.3Å; F314-Q330 HydrophobicContact CD2-CB 4.44Å; F314-Q330 HydrophobicContact CD2-CG 3.75Å; F314-Q330 HydrophobicContact CE2-CG 4.45Å; F314-Q330 HydrophobicContact CG-CB 4.47Å; F314-Q330 HydrophobicContact CG-CG 4.24Å; F314-A333 HydrophobicContact CB-CB 3.64Å
315L97.2Very high83.9Confident8 Ų876.9 Ų76.94%0.04243%0.425CS..PPolyproline II helixtrans-59128.6-179.8-72.5173.2000112.6D285 E286 R289 R329 Q330D285-L315 HydrophobicContact CB-CD1 3.76Å; D285-L315 HydrophobicContact CB-CD2 3.87Å; E286-L315 HydrophobicContact CB-CD1 4.2Å; R289-L315 HydrophobicContact CB-CD2 4.03Å; R289-L315 HydrophobicContact CG-CD2 4.42Å; L315-R329 HydrophobicContact CB-CB 4.34Å; L315-R329 HydrophobicContact CD1-CB 3.86Å; L315-R329 HydrophobicContact CD1-CG 4.37Å; L315-Q330 VanDerWaalsContact O-CG 3.27Å; L315-Q330 WeakPolarHBondContact O-CG 3.29Å; L315-Q330 PolarHBondContact O-NE2 2.92Å; L315-Q330 VanDerWaalsContact O-NE2 3.1Å
316P96.6Very high85.3Confident18 Ų1874.4 Ų74.412%0.11741%0.413CS..PPolyproline II helixtrans-56.6147.5172-27.236000112.6R39 S40 V312 N318R39-P316 WeakPolarHBondContact O-CG 3.31Å; S40-P316 WeakPolarHBondContact O-CB 3.33Å; V312-P316 HydrophobicContact CG1-CG 3.94Å; P316-N318 PolarHBondContact O-N 3.33Å
317V96.4Very high87.3Confident82 Ų8274.7 Ų74.750%0.49741%0.408SS..PPolyproline II helixtrans-64129.7176.4178.20000109.6H44 N326H44-V317 PolarHBondContact CE1-O 3.46Å; V317-N326 WeakPolarHBondContact CA-OD1 3.43Å
318N95.8Very high89Confident8 Ų872.8 Ų72.84%0.04340%0.402CS..PPolyproline II helixtrans-94.7118.6165.2-179.710.9000108.9H44 P316 E320 Y321 N326H44-N318 PolarHBondContact CD2-OD1 2.76Å; P316-N318 PolarHBondContact O-N 3.33Å; N318-E320 PolarHBondContact O-N 3.49Å; N318-E320 PolarHBondContact OD1-N 3.37Å; N318-Y321 HydrophobicContact CB-CD2 3.69Å; N318-Y321 HydrophobicContact CB-CE2 4.21Å; N318-Y321 HydrophobicContact CB-CG 3.95Å; N318-Y321 WeakPolarHBondContact ND2-CD1 3.38Å; N318-Y321 WeakPolarHBondContact ND2-CD2 3.42Å; N318-Y321 VanDerWaalsContact ND2-CE1 3.32Å; N318-Y321 WeakPolarHBondContact ND2-CE1 3.18Å; N318-Y321 WeakPolarHBondContact ND2-CE2 3.31Å; N318-Y321 PolarHBondContact O-N 2.64Å; N318-Y321 VanDerWaalsContact O-N 3.09Å; N318-N326 PolarHBondContact N-OD1 3.39Å; N318-N326 PolarHBondContact O-ND2 3.23Å
319P94.6Very high91.3Very high89 Ų8964.7 Ų64.758%0.57836%0.364SS*.THydrogen-bonded Turntrans-57.6-30.2176.9-25.836000114.1H44 Y321H44-P319 WeakPolarHBondContact NE2-CD 3.5Å; P319-Y321 PolarHBondContact O-N 3.04Å
320E90.9Very high93Very high162 Ų16257.1 Ų57.176%0.75734%0.338SS*.THydrogen-bonded Turntrans-73.3-9.2179.4-48.5-49.8132.900113.2N318N318-E320 PolarHBondContact O-N 3.49Å; N318-E320 PolarHBondContact OD1-N 3.37Å
321Y94.2Very high94.5Very high38 Ų3861.6 Ų61.615%0.14936%0.356CS..SBendtrans-104.9142.3-178.7-68.9-10.2000111.8N318 P319 R325 N326 E543N318-Y321 HydrophobicContact CB-CD2 3.69Å; N318-Y321 HydrophobicContact CB-CE2 4.21Å; N318-Y321 HydrophobicContact CB-CG 3.95Å; N318-Y321 WeakPolarHBondContact ND2-CD1 3.38Å; N318-Y321 WeakPolarHBondContact ND2-CD2 3.42Å; N318-Y321 VanDerWaalsContact ND2-CE1 3.32Å; N318-Y321 WeakPolarHBondContact ND2-CE1 3.18Å; N318-Y321 WeakPolarHBondContact ND2-CE2 3.31Å; N318-Y321 PolarHBondContact O-N 2.64Å; N318-Y321 VanDerWaalsContact O-N 3.09Å; P319-Y321 PolarHBondContact O-N 3.04Å; Y321-R325 HydrophobicContact CD2-CG 4.31Å; Y321-R325 VanDerWaalsContact CE1-NH1 3.32Å; Y321-R325 HydrophobicContact CG-CG 4.48Å; Y321-R325 VanDerWaalsContact CZ-CZ 3.49Å; Y321-R325 PolarHBondContact OH-NH2 2.71Å; Y321-N326 WeakPolarHBondContact CB-ND2 3.29Å; Y321-N326 PolarHBondContact O-ND2 2.9Å; Y321-E543 WeakPolarHBondContact CE1-OE2 3.36Å; Y321-E543 VanDerWaalsContact OH-CD 3.28Å; Y321-E543 PolarHBondContact OH-OE1 3.18Å; Y321-E543 PolarHBondContact OH-OE2 3.26Å
322S96.3Very high95.6Very high72 Ų7259 Ų5950%0.50333%0.332SS..  trans-57.4152.9174.771.40000112T324 R325 N326S322-T324 PolarHBondContact O-N 2.95Å; S322-T324 VanDerWaalsContact O-N 3.16Å; S322-R325 PolarHBondContact O-N 3.05Å; S322-R325 PolarHBondContact OG-N 3.34Å; S322-N326 PolarHBondContact O-N 3.39Å; S322-N326 PolarHBondContact O-ND2 3.25Å
323A95.8Very high96.2Very high85 Ų8559.7 Ų59.770%0.70234%0.34SS*.Hα-helixtrans-54-36.317600000112.1Q327A323-Q327 VanDerWaalsContact O-CB 3.29Å; A323-Q327 WeakPolarHBondContact O-CB 3.04Å; A323-Q327 PolarHBondContact O-N 3.15Å
324T96.7Very high96.5Very high113 Ų11366.4 Ų66.469%0.69335%0.354SS*.Hα-helixtrans-64-45.4176.1-48.50000112.5S322 Q327 G328S322-T324 PolarHBondContact O-N 2.95Å; S322-T324 VanDerWaalsContact O-N 3.16Å; T324-Q327 PolarHBondContact O-N 2.68Å; T324-G328 PolarHBondContact O-N 3.27Å
325R97.1Very high96.5Very high40 Ų4065 Ų6515%0.15135%0.348CS..Hα-helixtrans-69.4-41.8178.3-173.8172.7178.6-168.4-4.7111.6D282 Y321 S322 Q327 G328 R329 E543D282-R325 IonicContact OD1-CZ 2.69Å; D282-R325 IonicContact OD1-NE 2.68Å; D282-R325 IonicContact OD1-NH2 2.64Å; D282-R325 PolarHBondContact OD1-NH2 3.38Å; D282-R325 WeakPolarHBondContact OD2-CG 3.31Å; D282-R325 IonicContact OD2-NE 2.85Å; D282-R325 PolarHBondContact OD2-NE 3.11Å; D282-R325 VanDerWaalsContact OD2-NE 3.12Å; Y321-R325 HydrophobicContact CD2-CG 4.31Å; Y321-R325 VanDerWaalsContact CE1-NH1 3.32Å; Y321-R325 HydrophobicContact CG-CG 4.48Å; Y321-R325 VanDerWaalsContact CZ-CZ 3.49Å; Y321-R325 PolarHBondContact OH-NH2 2.71Å; S322-R325 PolarHBondContact O-N 3.05Å; S322-R325 PolarHBondContact OG-N 3.34Å; R325-Q327 VanDerWaalsContact C-N 3.34Å; R325-Q327 PolarHBondContact O-N 3.31Å; R325-G328 PolarHBondContact O-N 3.01Å; R325-R329 WeakPolarHBondContact O-CG 3.48Å; R325-R329 PolarHBondContact O-N 3.03Å; R325-E543 IonicContact CZ-OE1 3.21Å; R325-E543 VanDerWaalsContact CZ-OE1 3.24Å; R325-E543 IonicContact NH1-OE1 2.79Å; R325-E543 PolarHBondContact NH1-OE1 2.86Å; R325-E543 IonicContact NH2-OE1 2.81Å; R325-E543 PolarHBondContact NH2-OE1 3.27Å
326N97.3Very high96.3Very high11 Ų1168.5 Ų68.56%0.05937%0.367CS..Hα-helixtrans-59-42.8172.3-83.3-57.2000112.2V317 N318 Y321 S322 R329 Q330V317-N326 WeakPolarHBondContact CA-OD1 3.43Å; N318-N326 PolarHBondContact N-OD1 3.39Å; N318-N326 PolarHBondContact O-ND2 3.23Å; Y321-N326 WeakPolarHBondContact CB-ND2 3.29Å; Y321-N326 PolarHBondContact O-ND2 2.9Å; S322-N326 PolarHBondContact O-N 3.39Å; S322-N326 PolarHBondContact O-ND2 3.25Å; N326-R329 PolarHBondContact O-N 3.4Å; N326-Q330 WeakPolarHBondContact O-CB 3.16Å; N326-Q330 WeakPolarHBondContact O-CG 3.44Å; N326-Q330 PolarHBondContact O-N 2.94Å
327Q97.4Very high96.1Very high105 Ų10571.6 Ų71.649%0.49139%0.394SS..Hα-helixtrans-65.3-38.2174.7-167.9-166.792.800112.1A323 T324 R325 Q330 K331A323-Q327 VanDerWaalsContact O-CB 3.29Å; A323-Q327 WeakPolarHBondContact O-CB 3.04Å; A323-Q327 PolarHBondContact O-N 3.15Å; T324-Q327 PolarHBondContact O-N 2.68Å; R325-Q327 VanDerWaalsContact C-N 3.34Å; R325-Q327 PolarHBondContact O-N 3.31Å; Q327-Q330 PolarHBondContact O-N 3.39Å; Q327-K331 HydrophobicContact CG-CD 4.32Å; Q327-K331 WeakPolarHBondContact O-CB 3.5Å; Q327-K331 VanDerWaalsContact O-CG 3.29Å; Q327-K331 WeakPolarHBondContact O-CG 3.45Å; Q327-K331 PolarHBondContact O-N 3.04Å; Q327-K331 VanDerWaalsContact OE1-CE 3.3Å
328G97.6Very high95.8Very high33 Ų3374.2 Ų74.234%0.3440%0.395SS..Hα-helixtrans-58.8-53.2173.400000112T324 R325 Q330 K331 L332T324-G328 PolarHBondContact O-N 3.27Å; R325-G328 PolarHBondContact O-N 3.01Å; G328-Q330 VanDerWaalsContact C-N 3.32Å; G328-Q330 PolarHBondContact O-N 2.99Å; G328-K331 WeakPolarHBondContact O-CB 3.44Å; G328-K331 PolarHBondContact O-N 3.31Å; G328-K331 VanDerWaalsContact O-N 3.14Å; G328-L332 PolarHBondContact O-N 2.72Å
329R98.3Very high95.7Very high6 Ų678.2 Ų78.22%0.02341%0.413CS..Hα-helixtrans-53-46174.3-72.2163.161.579.44.7112.2D282 D285 L315 R325 N326 L332D282-R329 HydrophobicContact CB-CG 3.75Å; D282-R329 VanDerWaalsContact OD1-CD 3.28Å; D282-R329 WeakPolarHBondContact OD1-CD 3.39Å; D282-R329 WeakPolarHBondContact OD1-CG 3.42Å; D282-R329 IonicContact OD1-CZ 3.5Å; D282-R329 IonicContact OD1-NE 3.55Å; D282-R329 IonicContact OD1-NH1 3.6Å; D282-R329 PolarHBondContact OD1-NH1 3.1Å; D282-R329 WeakPolarHBondContact OD2-CG 3.31Å; D285-R329 IonicContact OD2-CZ 3.71Å; D285-R329 VanDerWaalsContact OD2-CZ 3.22Å; D285-R329 IonicContact OD2-NH1 3.92Å; D285-R329 PolarHBondContact OD2-NH1 3.35Å; D285-R329 IonicContact OD2-NH2 2.72Å; D285-R329 PolarHBondContact OD2-NH2 2.97Å; L315-R329 HydrophobicContact CB-CB 4.34Å; L315-R329 HydrophobicContact CD1-CB 3.86Å; L315-R329 HydrophobicContact CD1-CG 4.37Å; R325-R329 WeakPolarHBondContact O-CG 3.48Å; R325-R329 PolarHBondContact O-N 3.03Å; N326-R329 PolarHBondContact O-N 3.4Å; R329-L332 WeakPolarHBondContact O-CB 3.46Å; R329-L332 PolarHBondContact O-N 2.8Å
330Q97.9Very high95.8Very high54 Ų5474 Ų7425%0.25239%0.386SS..Hα-helixtrans-70.9-30.3179.8-71.8175.4-1200113.6F314 L315 N326 Q327 G328 L332 A333F314-Q330 HydrophobicContact CB-CB 4.34Å; F314-Q330 HydrophobicContact CB-CG 4.3Å; F314-Q330 HydrophobicContact CD2-CB 4.44Å; F314-Q330 HydrophobicContact CD2-CG 3.75Å; F314-Q330 HydrophobicContact CE2-CG 4.45Å; F314-Q330 HydrophobicContact CG-CB 4.47Å; F314-Q330 HydrophobicContact CG-CG 4.24Å; L315-Q330 VanDerWaalsContact O-CG 3.27Å; L315-Q330 WeakPolarHBondContact O-CG 3.29Å; L315-Q330 PolarHBondContact O-NE2 2.92Å; L315-Q330 VanDerWaalsContact O-NE2 3.1Å; N326-Q330 WeakPolarHBondContact O-CB 3.16Å; N326-Q330 WeakPolarHBondContact O-CG 3.44Å; N326-Q330 PolarHBondContact O-N 2.94Å; Q327-Q330 PolarHBondContact O-N 3.39Å; G328-Q330 VanDerWaalsContact C-N 3.32Å; G328-Q330 PolarHBondContact O-N 2.99Å; Q330-L332 VanDerWaalsContact C-N 3.26Å; Q330-L332 PolarHBondContact O-N 3.15Å; Q330-A333 PolarHBondContact O-N 3.04Å
331K98Very high96Very high109 Ų10966.8 Ų66.847%0.47435%0.354SS..Hα-helixtrans-64.3-27.6173.6-80165.7168.3173.40112.7Q327 G328 A333 R334Q327-K331 HydrophobicContact CG-CD 4.32Å; Q327-K331 WeakPolarHBondContact O-CB 3.5Å; Q327-K331 VanDerWaalsContact O-CG 3.29Å; Q327-K331 WeakPolarHBondContact O-CG 3.45Å; Q327-K331 PolarHBondContact O-N 3.04Å; Q327-K331 VanDerWaalsContact OE1-CE 3.3Å; G328-K331 WeakPolarHBondContact O-CB 3.44Å; G328-K331 PolarHBondContact O-N 3.31Å; G328-K331 VanDerWaalsContact O-N 3.14Å; K331-A333 PolarHBondContact O-N 2.94Å; K331-R334 WeakPolarHBondContact O-CB 3.41Å; K331-R334 PolarHBondContact O-N 2.86Å
332L98.1Very high96Very high11 Ų1166.9 Ų66.96%0.05836%0.359CS..G310 helixtrans-59.9-29.3177.3-60175.5000112.9D282 V283 E286 R290 G328 R329 Q330 R334 F335 L343D282-L332 HydrophobicContact CB-CD1 4.43Å; D282-L332 VanDerWaalsContact O-CD1 3.23Å; D282-L332 WeakPolarHBondContact O-CD1 3.4Å; V283-L332 HydrophobicContact CG2-CD1 3.99Å; V283-L332 HydrophobicContact CG2-CD2 4.19Å; E286-L332 HydrophobicContact CB-CB 4.07Å; E286-L332 HydrophobicContact CB-CD1 4.11Å; E286-L332 HydrophobicContact CG-CB 3.87Å; R290-L332 PolarHBondContact NH2-O 2.94Å; G328-L332 PolarHBondContact O-N 2.72Å; R329-L332 WeakPolarHBondContact O-CB 3.46Å; R329-L332 PolarHBondContact O-N 2.8Å; Q330-L332 VanDerWaalsContact C-N 3.26Å; Q330-L332 PolarHBondContact O-N 3.15Å; L332-R334 PolarHBondContact O-N 3.03Å; L332-F335 HydrophobicContact CD2-CE2 4.38Å; L332-F335 WeakPolarHBondContact O-CB 3.45Å; L332-F335 PolarHBondContact O-N 2.97Å; L332-F335 VanDerWaalsContact O-N 3.15Å; L332-L343 HydrophobicContact CD2-CD2 3.94Å
333A97.2Very high96Very high29 Ų2965 Ų6524%0.2434%0.343CS..G310 helixtrans-66.7-21.2175.500000113.8E286 P313 F314 Q330 K331 F335E286-A333 WeakPolarHBondContact OE1-CA 3.35Å; P313-A333 WeakPolarHBondContact O-CB 3.46Å; F314-A333 HydrophobicContact CB-CB 3.64Å; Q330-A333 PolarHBondContact O-N 3.04Å; K331-A333 PolarHBondContact O-N 2.94Å; A333-F335 VanDerWaalsContact C-N 3.34Å
334R96.5Very high96.1Very high224 Ų22461 Ų6185%0.84531%0.309SS*.G310 helixtrans-77.5-16.8173.9-70.6-176.7161.6-163-6.9113.5K331 L332 N336K331-R334 WeakPolarHBondContact O-CB 3.41Å; K331-R334 PolarHBondContact O-N 2.86Å; L332-R334 PolarHBondContact O-N 3.03Å; R334-N336 PolarHBondContact O-N 3.36Å
335F96.3Very high96.1Very high69 Ų6956.6 Ų56.630%0.30328%0.281SS..  trans-68123.7-177.1-79.1-130.3000110.3R290 L332 A333 E339 F340 L343R290-F335 PolarHBondContact NH1-O 3.42Å; R290-F335 VanDerWaalsContact NH1-O 3.14Å; R290-F335 PolarHBondContact NH2-O 3.07Å; L332-F335 HydrophobicContact CD2-CE2 4.38Å; L332-F335 WeakPolarHBondContact O-CB 3.45Å; L332-F335 PolarHBondContact O-N 2.97Å; L332-F335 VanDerWaalsContact O-N 3.15Å; A333-F335 VanDerWaalsContact C-N 3.34Å; F335-E339 WeakPolarHBondContact CA-OE2 3.39Å; F335-E339 HydrophobicContact CB-CB 4.17Å; F335-E339 HydrophobicContact CD1-CB 3.76Å; F335-E339 HydrophobicContact CG-CB 4.26Å; F335-F340 HydrophobicContact CB-CB 3.93Å; F335-F340 HydrophobicContact CB-CD2 4.16Å; F335-F340 HydrophobicContact CB-CG 4.46Å; F335-L343 HydrophobicContact CD1-CD2 4.34Å; F335-L343 HydrophobicContact CE1-CB 4.46Å; F335-L343 HydrophobicContact CE1-CD2 3.87Å; F335-L343 HydrophobicContact CZ-CD2 4.42Å
336N93.7Very high96Very high81 Ų8155.6 Ų55.643%0.43328%0.279SS..  trans-66.9169.2172.278.853.3000111R334 R338 E339 F340R334-N336 PolarHBondContact O-N 3.36Å; N336-R338 VanDerWaalsContact C-N 3.28Å; N336-R338 PolarHBondContact O-N 2.93Å; N336-R338 WeakPolarHBondContact OD1-CA 3.45Å; N336-R338 WeakPolarHBondContact OD1-CB 3.27Å; N336-R338 PolarHBondContact OD1-N 3.19Å; N336-E339 VanDerWaalsContact CG-CD 3.47Å; N336-E339 PolarHBondContact N-OE2 3.46Å; N336-E339 WeakPolarHBondContact ND2-CG 3.5Å; N336-E339 PolarHBondContact ND2-OE1 3.38Å; N336-E339 PolarHBondContact ND2-OE2 2.97Å; N336-E339 VanDerWaalsContact ND2-OE2 3.13Å; N336-E339 PolarHBondContact O-N 3.49Å; N336-E339 PolarHBondContact OD1-N 3.42Å; N336-E339 VanDerWaalsContact OD1-N 3.12Å; N336-F340 WeakPolarHBondContact O-CB 3.46Å; N336-F340 PolarHBondContact O-N 2.97Å
337A92.5Very high96Very high82 Ų8255.1 Ų55.168%0.67828%0.276SS*.Hα-helixtrans-58.1-35.6-174.400000113.9A341A337-A341 WeakPolarHBondContact O-CB 3.27Å; A337-A341 PolarHBondContact O-N 2.8Å; A337-A341 VanDerWaalsContact O-N 3.08Å
338R90.7Very high95.9Very high137 Ų13750.1 Ų50.152%0.51725%0.253SS..Hα-helixtrans-75.2-43.4179.6-171.1177.9-175.2164.34.9111.6M251 N336 T342M251-R338 HydrophobicContact CE-CG 3.84Å; N336-R338 VanDerWaalsContact C-N 3.28Å; N336-R338 PolarHBondContact O-N 2.93Å; N336-R338 WeakPolarHBondContact OD1-CA 3.45Å; N336-R338 WeakPolarHBondContact OD1-CB 3.27Å; N336-R338 PolarHBondContact OD1-N 3.19Å; R338-T342 WeakPolarHBondContact O-CB 3.34Å; R338-T342 PolarHBondContact O-N 2.86Å; R338-T342 PolarHBondContact O-OG1 2.84Å
339E93.6Very high95.7Very high93 Ų9350 Ų5044%0.43525%0.247SC..Hα-helixtrans-61.6-48.8176-68.9161.7174.500111.1F335 N336 T342 L343F335-E339 WeakPolarHBondContact CA-OE2 3.39Å; F335-E339 HydrophobicContact CB-CB 4.17Å; F335-E339 HydrophobicContact CD1-CB 3.76Å; F335-E339 HydrophobicContact CG-CB 4.26Å; N336-E339 VanDerWaalsContact CG-CD 3.47Å; N336-E339 PolarHBondContact N-OE2 3.46Å; N336-E339 WeakPolarHBondContact ND2-CG 3.5Å; N336-E339 PolarHBondContact ND2-OE1 3.38Å; N336-E339 PolarHBondContact ND2-OE2 2.97Å; N336-E339 VanDerWaalsContact ND2-OE2 3.13Å; N336-E339 PolarHBondContact O-N 3.49Å; N336-E339 PolarHBondContact OD1-N 3.42Å; N336-E339 VanDerWaalsContact OD1-N 3.12Å; E339-T342 WeakPolarHBondContact O-CB 3.5Å; E339-T342 PolarHBondContact O-N 3.01Å; E339-L343 PolarHBondContact O-N 3.3Å
340F96.4Very high95.6Very high0 Ų049.8 Ų49.80%025%0.246CC..Hα-helixtrans-67.1-40.5-177.8-163.7-120.6000111.7Y233 V283 E286 V287 F335 N336 T342 L343 I344Y233-F340 AromaticContact CE1-CD1 3.79Å; Y233-F340 HydrophobicContact CE1-CD1 3.79Å; Y233-F340 AromaticContact CE1-CE1 3.8Å; Y233-F340 HydrophobicContact CE1-CE1 3.8Å; V283-F340 HydrophobicContact CG1-CE2 4.09Å; V283-F340 HydrophobicContact CG1-CZ 4.19Å; E286-F340 HydrophobicContact CB-CE2 4.12Å; E286-F340 HydrophobicContact CB-CZ 3.86Å; E286-F340 HydrophobicContact CG-CE1 4.33Å; E286-F340 HydrophobicContact CG-CE2 3.64Å; E286-F340 HydrophobicContact CG-CZ 3.48Å; E286-F340 VanDerWaalsContact CG-CZ 3.48Å; V287-F340 HydrophobicContact CG2-CE1 3.71Å; V287-F340 HydrophobicContact CG2-CZ 3.83Å; F335-F340 HydrophobicContact CB-CB 3.93Å; F335-F340 HydrophobicContact CB-CD2 4.16Å; F335-F340 HydrophobicContact CB-CG 4.46Å; N336-F340 WeakPolarHBondContact O-CB 3.46Å; N336-F340 PolarHBondContact O-N 2.97Å; F340-T342 VanDerWaalsContact C-N 3.33Å; F340-T342 PolarHBondContact O-N 2.73Å; F340-L343 PolarHBondContact O-N 3.19Å; F340-I344 HydrophobicContact CD1-CD1 3.78Å; F340-I344 HydrophobicContact CE1-CD1 3.58Å; F340-I344 HydrophobicContact CG-CD1 4.38Å; F340-I344 HydrophobicContact CZ-CD1 4.01Å; F340-I344 WeakPolarHBondContact O-CG1 3.36Å; F340-I344 PolarHBondContact O-N 3.49Å
341A95.4Very high95.4Very high11 Ų1147.3 Ų47.39%0.09124%0.236CC..Hα-helixtrans-62.1-39.3172.100000112.6L234 M251 A337 I344 I345L234-A341 HydrophobicContact CD1-CB 4.32Å; L234-A341 HydrophobicContact CD2-CB 3.7Å; M251-A341 HydrophobicContact CE-CB 4.15Å; M251-A341 HydrophobicContact SD-CB 4.14Å; A337-A341 WeakPolarHBondContact O-CB 3.27Å; A337-A341 PolarHBondContact O-N 2.8Å; A337-A341 VanDerWaalsContact O-N 3.08Å; A341-I344 PolarHBondContact O-N 3.32Å; A341-I345 WeakPolarHBondContact O-CB 3.1Å; A341-I345 VanDerWaalsContact O-CG1 3.27Å; A341-I345 WeakPolarHBondContact O-CG1 3.34Å; A341-I345 PolarHBondContact O-N 3.47Å
342T93.9Very high95.2Very high40 Ų4045.5 Ų45.525%0.24523%0.227CC..Hα-helixtrans-63.8-47.2177.6-56.10000111.2R338 E339 F340 I344 I345 D346R338-T342 WeakPolarHBondContact O-CB 3.34Å; R338-T342 PolarHBondContact O-N 2.86Å; R338-T342 PolarHBondContact O-OG1 2.84Å; E339-T342 WeakPolarHBondContact O-CB 3.5Å; E339-T342 PolarHBondContact O-N 3.01Å; F340-T342 VanDerWaalsContact C-N 3.33Å; F340-T342 PolarHBondContact O-N 2.73Å; T342-I344 VanDerWaalsContact C-N 3.34Å; T342-I344 PolarHBondContact O-N 3.45Å; T342-I345 PolarHBondContact O-N 2.89Å; T342-D346 PolarHBondContact O-N 2.74Å
343L96.3Very high94.9Very high33 Ų3347.9 Ų47.917%0.17324%0.236CC..Hα-helixtrans-58.5-43.3175.3177.760.2000112.1V283 L332 F335 E339 F340 D346 I347V283-L343 HydrophobicContact CG2-CD2 3.78Å; V283-L343 HydrophobicContact CG2-CG 4.31Å; L332-L343 HydrophobicContact CD2-CD2 3.94Å; F335-L343 HydrophobicContact CD1-CD2 4.34Å; F335-L343 HydrophobicContact CE1-CB 4.46Å; F335-L343 HydrophobicContact CE1-CD2 3.87Å; F335-L343 HydrophobicContact CZ-CD2 4.42Å; E339-L343 PolarHBondContact O-N 3.3Å; F340-L343 PolarHBondContact O-N 3.19Å; L343-D346 PolarHBondContact O-N 3.37Å; L343-I347 HydrophobicContact CD1-CD1 3.9Å; L343-I347 HydrophobicContact CD1-CG1 4.3Å; L343-I347 HydrophobicContact CG-CD1 3.98Å; L343-I347 WeakPolarHBondContact O-CG1 3.31Å; L343-I347 PolarHBondContact O-N 3Å
344I97.3Very high94.7Very high0 Ų048.3 Ų48.30%023%0.231CC..Hα-helixtrans-65.8-45.1178-71.5171.5000111.6L230 Y233 L234 V283 V287 F340 A341 T342 D346 I347 L348L230-I344 HydrophobicContact CB-CG2 3.92Å; L230-I344 HydrophobicContact CD2-CD1 4.34Å; L230-I344 HydrophobicContact CD2-CG1 4.23Å; L230-I344 HydrophobicContact CD2-CG2 4.48Å; Y233-I344 HydrophobicContact CD1-CD1 3.74Å; Y233-I344 HydrophobicContact CE1-CD1 3.98Å; L234-I344 HydrophobicContact CD1-CB 3.89Å; L234-I344 HydrophobicContact CD1-CG2 3.48Å; L234-I344 VanDerWaalsContact CD1-CG2 3.48Å; L234-I344 HydrophobicContact CD2-CD1 4.44Å; L234-I344 HydrophobicContact CG-CB 4.47Å; L234-I344 HydrophobicContact CG-CG2 3.94Å; V283-I344 HydrophobicContact CG1-CD1 4.46Å; V283-I344 HydrophobicContact CG1-CG1 3.8Å; V287-I344 HydrophobicContact CG2-CD1 3.72Å; F340-I344 HydrophobicContact CD1-CD1 3.78Å; F340-I344 HydrophobicContact CE1-CD1 3.58Å; F340-I344 HydrophobicContact CG-CD1 4.38Å; F340-I344 HydrophobicContact CZ-CD1 4.01Å; F340-I344 WeakPolarHBondContact O-CG1 3.36Å; F340-I344 PolarHBondContact O-N 3.49Å; A341-I344 PolarHBondContact O-N 3.32Å; T342-I344 VanDerWaalsContact C-N 3.34Å; T342-I344 PolarHBondContact O-N 3.45Å; I344-D346 VanDerWaalsContact C-N 3.28Å; I344-D346 PolarHBondContact O-N 2.92Å; I344-I347 PolarHBondContact O-N 3.33Å; I344-L348 HydrophobicContact CG2-CD1 3.82Å; I344-L348 HydrophobicContact CG2-CG 4.29Å; I344-L348 WeakPolarHBondContact O-CB 3.34Å; I344-L348 VanDerWaalsContact O-CG 3.27Å; I344-L348 WeakPolarHBondContact O-CG 3.43Å; I344-L348 PolarHBondContact O-N 2.85Å
345I95.8Very high94.1Very high20 Ų2039.5 Ų39.510%0.10320%0.2CC..Hα-helixtrans-61.6-39.1177.8-70.9165.8000110.9L234 I248 P249 M251 A341 T342 S349L234-I345 HydrophobicContact CD1-CD1 4.18Å; L234-I345 HydrophobicContact CD1-CG1 3.67Å; I248-I345 HydrophobicContact CG2-CG2 4.24Å; P249-I345 HydrophobicContact CB-CD1 4.19Å; P249-I345 HydrophobicContact CB-CG1 4.09Å; P249-I345 HydrophobicContact CG-CG1 4.41Å; M251-I345 HydrophobicContact CG-CD1 3.7Å; M251-I345 HydrophobicContact SD-CD1 3.6Å; M251-I345 VanDerWaalsContact SD-CD1 3.6Å; A341-I345 WeakPolarHBondContact O-CB 3.1Å; A341-I345 VanDerWaalsContact O-CG1 3.27Å; A341-I345 WeakPolarHBondContact O-CG1 3.34Å; A341-I345 PolarHBondContact O-N 3.47Å; T342-I345 PolarHBondContact O-N 2.89Å; I345-S349 WeakPolarHBondContact O-CB 3.39Å; I345-S349 PolarHBondContact O-N 3.2Å; I345-S349 PolarHBondContact O-OG 3.29Å
346D95.4Very high93.4Very high20 Ų2042 Ų4211%0.10721%0.212CC..Hα-helixtrans-67.6-45.4175.5-82.3-11.1000112.1K265 L268 T342 L343 I344 L348 S349 D350K265-D346 WeakPolarHBondContact CB-OD2 3.3Å; K265-D346 WeakPolarHBondContact CD-OD1 3.39Å; K265-D346 WeakPolarHBondContact CE-OD1 3.19Å; K265-D346 IonicContact NZ-OD1 3.71Å; K265-D346 PolarHBondContact NZ-OD1 3.3Å; L268-D346 HydrophobicContact CD2-CB 3.79Å; T342-D346 PolarHBondContact O-N 2.74Å; L343-D346 PolarHBondContact O-N 3.37Å; I344-D346 VanDerWaalsContact C-N 3.28Å; I344-D346 PolarHBondContact O-N 2.92Å; D346-L348 PolarHBondContact O-N 3.38Å; D346-S349 WeakPolarHBondContact O-CB 3.38Å; D346-S349 PolarHBondContact O-N 3.09Å; D346-D350 WeakPolarHBondContact O-CB 3.21Å; D346-D350 PolarHBondContact O-N 2.89Å
347I97Very high91.9Very high0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-59.4-45.1174.8-72.3169.3000111.6L230 L268 F276 A280 V283 L343 I344 S349 D350 A351L230-I347 HydrophobicContact CD1-CG2 3.81Å; L268-I347 HydrophobicContact CD1-CG1 4.26Å; L268-I347 HydrophobicContact CD2-CG1 4.1Å; F276-I347 HydrophobicContact CE2-CB 4.44Å; F276-I347 HydrophobicContact CE2-CG1 4.29Å; F276-I347 HydrophobicContact CE2-CG2 4.18Å; F276-I347 HydrophobicContact CZ-CG2 4.05Å; A280-I347 HydrophobicContact CB-CG2 4.11Å; V283-I347 HydrophobicContact CB-CD1 4.02Å; V283-I347 HydrophobicContact CG1-CD1 4.15Å; V283-I347 HydrophobicContact CG2-CD1 3.73Å; L343-I347 HydrophobicContact CD1-CD1 3.9Å; L343-I347 HydrophobicContact CD1-CG1 4.3Å; L343-I347 HydrophobicContact CG-CD1 3.98Å; L343-I347 WeakPolarHBondContact O-CG1 3.31Å; L343-I347 PolarHBondContact O-N 3Å; I344-I347 PolarHBondContact O-N 3.33Å; I347-S349 VanDerWaalsContact C-N 3.31Å; I347-S349 PolarHBondContact O-N 3.22Å; I347-D350 PolarHBondContact O-N 3.15Å; I347-A351 WeakPolarHBondContact O-CB 3.47Å; I347-A351 PolarHBondContact O-N 2.8Å
348L96.1Very high89.7Confident1 Ų143.5 Ų43.51%0.00521%0.211CC..Hα-helixtrans-60.2-41.2175.8-72.1169.9000111.9T227 L230 A231 I248 P249 I344 D346 K352T227-L348 HydrophobicContact CG2-CD2 4.04Å; T227-L348 VanDerWaalsContact O-CD2 3.3Å; T227-L348 WeakPolarHBondContact O-CD2 3.5Å; L230-L348 HydrophobicContact CB-CD1 4.42Å; L230-L348 HydrophobicContact CB-CD2 3.92Å; L230-L348 HydrophobicContact CB-CG 4.24Å; A231-L348 HydrophobicContact CB-CD1 4.16Å; A231-L348 HydrophobicContact CB-CD2 4.39Å; I248-L348 VanDerWaalsContact CD1-C 3.48Å; I248-L348 HydrophobicContact CD1-CB 3.79Å; I248-L348 WeakPolarHBondContact CD1-O 3.41Å; P249-L348 HydrophobicContact CG-CD1 4.43Å; I344-L348 HydrophobicContact CG2-CD1 3.82Å; I344-L348 HydrophobicContact CG2-CG 4.29Å; I344-L348 WeakPolarHBondContact O-CB 3.34Å; I344-L348 VanDerWaalsContact O-CG 3.27Å; I344-L348 WeakPolarHBondContact O-CG 3.43Å; I344-L348 PolarHBondContact O-N 2.85Å; D346-L348 PolarHBondContact O-N 3.38Å; L348-K352 WeakPolarHBondContact O-CB 3.39Å; L348-K352 PolarHBondContact O-N 3.29Å
349S94.2Very high87.2Confident31 Ų3139.7 Ų39.722%0.21721%0.214CC..Hα-helixtrans-67-39.4176.9-59.10000112I248 I345 D346 I347 R353I248-S349 WeakPolarHBondContact CG2-OG 3.19Å; I345-S349 WeakPolarHBondContact O-CB 3.39Å; I345-S349 PolarHBondContact O-N 3.2Å; I345-S349 PolarHBondContact O-OG 3.29Å; D346-S349 WeakPolarHBondContact O-CB 3.38Å; D346-S349 PolarHBondContact O-N 3.09Å; I347-S349 VanDerWaalsContact C-N 3.31Å; I347-S349 PolarHBondContact O-N 3.22Å; S349-R353 PolarHBondContact O-N 2.6Å; S349-R353 VanDerWaalsContact O-N 3.1Å
350D94.5Very high84.5Confident0 Ų043.3 Ų43.30%024%0.236CC..Hα-helixtrans-68.9-45.6179.2-128.968000111.7L268 Q269 F276 D346 I347 K352 R353 R354L268-D350 HydrophobicContact CD2-CB 4.35Å; Q269-D350 WeakPolarHBondContact CG-OD1 3.3Å; F276-D350 HydrophobicContact CD2-CB 4.42Å; F276-D350 HydrophobicContact CE2-CB 3.56Å; F276-D350 HydrophobicContact CZ-CB 3.67Å; D346-D350 WeakPolarHBondContact O-CB 3.21Å; D346-D350 PolarHBondContact O-N 2.89Å; I347-D350 PolarHBondContact O-N 3.15Å; D350-K352 VanDerWaalsContact C-N 3.32Å; D350-K352 PolarHBondContact O-N 3.22Å; D350-R353 VanDerWaalsContact CG-NH1 3.3Å; D350-R353 PolarHBondContact O-N 2.8Å; D350-R353 VanDerWaalsContact O-N 3.15Å; D350-R353 IonicContact OD1-CZ 3.37Å; D350-R353 IonicContact OD1-NH1 2.72Å; D350-R353 PolarHBondContact OD1-NH1 3.25Å; D350-R353 IonicContact OD1-NH2 3.89Å; D350-R353 PolarHBondContact OD1-NH2 3.14Å; D350-R353 VanDerWaalsContact OD1-NH2 3.09Å; D350-R353 IonicContact OD2-CZ 2.6Å; D350-R353 IonicContact OD2-NH1 2.68Å; D350-R353 IonicContact OD2-NH2 3.34Å; D350-R353 PolarHBondContact OD2-NH2 3.32Å; D350-R354 WeakPolarHBondContact O-CG 3.3Å; D350-R354 PolarHBondContact O-N 3.3Å; D350-R354 IonicContact OD2-CZ 2.64Å; D350-R354 IonicContact OD2-NE 3.58Å; D350-R354 PolarHBondContact OD2-NE 2.66Å; D350-R354 IonicContact OD2-NH2 2.71Å; D350-R354 PolarHBondContact OD2-NH2 3.19Å
351A94.7Very high81.5Confident3 Ų348.6 Ų48.63%0.02527%0.272CS..Hα-helixtrans-55.4-47.8176.100000111.2T227 Y246 F276 I347 R354 Q355 I539T227-A351 HydrophobicContact CG2-CB 3.93Å; Y246-A351 HydrophobicContact CE1-CB 3.93Å; Y246-A351 PolarHBondContact OH-O 3.42Å; F276-A351 HydrophobicContact CE1-CB 4.24Å; F276-A351 HydrophobicContact CZ-CB 4.14Å; I347-A351 WeakPolarHBondContact O-CB 3.47Å; I347-A351 PolarHBondContact O-N 2.8Å; A351-R354 PolarHBondContact O-N 3.22Å; A351-Q355 PolarHBondContact O-N 2.89Å; A351-I539 HydrophobicContact CB-CD1 3.72Å; A351-I539 HydrophobicContact CB-CG1 4.5Å
352K93.2Very high78.4Confident70 Ų7052.7 Ų52.730%0.30430%0.3SS..Hα-helixtrans-61.3-43.9176.4-175.6174.6-177.6171.80112.2Y246 I248 L348 D350 Q356Y246-K352 HydrophobicContact CD1-CB 3.96Å; Y246-K352 HydrophobicContact CD2-CB 3.98Å; Y246-K352 HydrophobicContact CD2-CD 4.27Å; Y246-K352 HydrophobicContact CD2-CG 3.78Å; Y246-K352 HydrophobicContact CE1-CB 4.19Å; Y246-K352 HydrophobicContact CE2-CB 4.21Å; Y246-K352 HydrophobicContact CE2-CG 4.23Å; Y246-K352 HydrophobicContact CG-CB 3.85Å; Y246-K352 HydrophobicContact CG-CD 4.16Å; Y246-K352 HydrophobicContact CG-CG 3.98Å; I248-K352 HydrophobicContact CD1-CB 4.47Å; I248-K352 HydrophobicContact CD1-CD 4.2Å; I248-K352 HydrophobicContact CG1-CD 4.2Å; L348-K352 WeakPolarHBondContact O-CB 3.39Å; L348-K352 PolarHBondContact O-N 3.29Å; D350-K352 VanDerWaalsContact C-N 3.32Å; D350-K352 PolarHBondContact O-N 3.22Å; K352-Q356 WeakPolarHBondContact O-CB 3.15Å; K352-Q356 VanDerWaalsContact O-CG 3.25Å; K352-Q356 WeakPolarHBondContact O-CG 3.31Å; K352-Q356 PolarHBondContact O-N 3.08Å; K352-Q356 VanDerWaalsContact O-N 3.13Å
353R92.9Very high75.6Confident61 Ų6156.4 Ų56.423%0.2333%0.325CS..Hα-helixtrans-62.6-46.4177.4-174.1-172.968.9-94.9-5.3111.5S349 D350 Q356 G357 K358S349-R353 PolarHBondContact O-N 2.6Å; S349-R353 VanDerWaalsContact O-N 3.1Å; D350-R353 VanDerWaalsContact CG-NH1 3.3Å; D350-R353 PolarHBondContact O-N 2.8Å; D350-R353 VanDerWaalsContact O-N 3.15Å; D350-R353 IonicContact OD1-CZ 3.37Å; D350-R353 IonicContact OD1-NH1 2.72Å; D350-R353 PolarHBondContact OD1-NH1 3.25Å; D350-R353 IonicContact OD1-NH2 3.89Å; D350-R353 PolarHBondContact OD1-NH2 3.14Å; D350-R353 VanDerWaalsContact OD1-NH2 3.09Å; D350-R353 IonicContact OD2-CZ 2.6Å; D350-R353 IonicContact OD2-NH1 2.68Å; D350-R353 IonicContact OD2-NH2 3.34Å; D350-R353 PolarHBondContact OD2-NH2 3.32Å; R353-Q356 PolarHBondContact O-N 3.22Å; R353-G357 PolarHBondContact O-N 3.32Å; R353-K358 WeakPolarHBondContact CD-O 3.47Å; R353-K358 HydrophobicContact CG-CB 4.41Å; R353-K358 WeakPolarHBondContact CG-O 3.39Å
354R91.6Very high72.7Confident39 Ų3961.1 Ų61.115%0.14736%0.355CS..Hα-helixtrans-59.9-52.5-178.9-71.5170.9-168.3-94.20.3111.1L268 Q269 L271 N273 F276 D350 A351 Q356 G357L268-R354 PolarHBondContact O-NH2 3.02Å; Q269-R354 PolarHBondContact O-NH2 2.9Å; L271-R354 VanDerWaalsContact O-CZ 3.29Å; L271-R354 PolarHBondContact O-NH1 2.74Å; L271-R354 PolarHBondContact O-NH2 3.2Å; N273-R354 WeakPolarHBondContact OD1-CD 3.4Å; N273-R354 PolarHBondContact OD1-NH1 2.92Å; F276-R354 VanDerWaalsContact CD1-CD 3.47Å; D350-R354 WeakPolarHBondContact O-CG 3.3Å; D350-R354 PolarHBondContact O-N 3.3Å; D350-R354 IonicContact OD2-CZ 2.64Å; D350-R354 IonicContact OD2-NE 3.58Å; D350-R354 PolarHBondContact OD2-NE 2.66Å; D350-R354 IonicContact OD2-NH2 2.71Å; D350-R354 PolarHBondContact OD2-NH2 3.19Å; A351-R354 PolarHBondContact O-N 3.22Å; R354-Q356 VanDerWaalsContact C-N 3.29Å; R354-Q356 PolarHBondContact O-N 3Å; R354-G357 PolarHBondContact O-N 2.74Å
355Q85Confident69.4Low39 Ų3968.3 Ų68.318%0.18239%0.394CS..Hα-helixtrans-61-36.3177.9-178.9169.395.800112.9Y224 Y246 A351 G357Y224-Q355 VanDerWaalsContact OH-CD 3.26Å; Y224-Q355 PolarHBondContact OH-NE2 3.36Å; Y224-Q355 PolarHBondContact OH-OE1 3.05Å; Y246-Q355 HydrophobicContact CE2-CB 4.45Å; Y246-Q355 WeakPolarHBondContact OH-CB 3.16Å; Y246-Q355 PolarHBondContact OH-OE1 3.3Å; A351-Q355 PolarHBondContact O-N 2.89Å; Q355-G357 PolarHBondContact O-N 3.08Å
356Q81.4Confident66.6Low121 Ų12172.4 Ų72.457%0.56542%0.422SS*.THydrogen-bonded Turntrans-71.4-4.4177.2-72.8-176.1-16.500114.2K352 R353 R354 K358K352-Q356 WeakPolarHBondContact O-CB 3.15Å; K352-Q356 VanDerWaalsContact O-CG 3.25Å; K352-Q356 WeakPolarHBondContact O-CG 3.31Å; K352-Q356 PolarHBondContact O-N 3.08Å; K352-Q356 VanDerWaalsContact O-N 3.13Å; R353-Q356 PolarHBondContact O-N 3.22Å; R354-Q356 VanDerWaalsContact C-N 3.29Å; R354-Q356 PolarHBondContact O-N 3Å; Q356-K358 PolarHBondContact O-N 3.37Å; Q356-K358 VanDerWaalsContact O-N 3.13Å
357G62.1Low63.7Low39 Ų3979.3 Ų79.340%0.40246%0.458SS..THydrogen-bonded Turntrans68.28.6176.300000114.8R353 R354 Q355 G359R353-G357 PolarHBondContact O-N 3.32Å; R354-G357 PolarHBondContact O-N 2.74Å; Q355-G357 PolarHBondContact O-N 3.08Å; G357-G359 PolarHBondContact O-N 2.88Å
358K45.5Very low60.5Low156 Ų15687 Ų8768%0.67850%0.499SS*.  trans-78.378169-78.1-167.5171.9-170.80109.6R353 Q356R353-K358 WeakPolarHBondContact CD-O 3.47Å; R353-K358 HydrophobicContact CG-CB 4.41Å; R353-K358 WeakPolarHBondContact CG-O 3.39Å; Q356-K358 PolarHBondContact O-N 3.37Å; Q356-K358 VanDerWaalsContact O-N 3.13Å
359G38.8Very low57.8Low57 Ų5794.7 Ų94.759%0.58854%0.539SS*.  trans-57.4168.6152.700000110.5G357 S361G357-G359 PolarHBondContact O-N 2.88Å; G359-S361 PolarHBondContact O-N 3.48Å
360L37.7Very low54.8Low169 Ų16996.9 Ų96.989%0.88557%0.567SS**  trans-61.8110.6171.2-68168.1000108.1S362L360-S362 PolarHBondContact O-N 3.11Å
361S33.1Very low52Low110 Ų110104 Ų10477%0.76960%0.604SS**  trans-68.2112.2171.549.70000108.1G359G359-S361 PolarHBondContact O-N 3.48Å
362S30.3Very low49.2Very low97 Ų97111.1 Ų111.168%0.67864%0.641SS**  trans-53.6135170.6-166.60000109.4L360 T364L360-S362 PolarHBondContact O-N 3.11Å; S362-T364 PolarHBondContact O-N 2.79Å
363P35.5Very low46.3Very low118 Ų118115.7 Ų115.777%0.76667%0.669SS**  trans-66.9107.2174.2-15.530000109.4
364T34.9Very low43.9Very low132 Ų132119.8 Ų119.881%0.8170%0.695SS**  trans-91.696.716651.70000108.7S362S362-T364 PolarHBondContact O-N 2.79Å
365D27.2Very low41.3Very low152 Ų152126.2 Ų126.281%0.81373%0.727SS**  trans-107.1156.8155.7-91.6-46.9000109.3
366P36.9Very low39.5Very low106 Ų106132.5 Ų132.569%0.68876%0.756SS**  trans-103.2142.8-157.62.419.8000114.2
367L35.7Very low37.3Very low165 Ų165134.5 Ų134.586%0.86477%0.771SS**  trans64.6102.6155.1-55.8171.8000117.7
368D29.3Very low36.3Very low162 Ų162142.8 Ų142.887%0.86679%0.791SS**  -140.2161.4118.8-156.2-2000109.6
369L38.8Very low36Very low161 Ų161142.1 Ų142.184%0.84380%0.795SS**  trans-118.486.3-177-77.3170.1000111
370G32.1Very low36Very low78 Ų78147.2 Ų147.280%0.80481%0.809SS**  trans-95.6149163.400000111.4
371I35.6Very low35.9Very low150 Ų150146 Ų14677%0.76981%0.809SS**  trans-106.8143.2-177.2-66.7172.9000109.6
372D36.2Very low35.9Very low151 Ų151144.3 Ų144.381%0.80780%0.801SS**  trans25.4124.3162.1-47.9-19.2000120
373D31.8Very low36Very low167 Ų167145.2 Ų145.289%0.89381%0.807SS**  -154160.5108.4-139.7-22.2000111.4
374D43Very low35.9Very low146 Ų146147 Ų14778%0.78181%0.811SS**  trans-106108.9-176-105.7-39.9000111.8
375E36.8Very low35.9Very low175 Ų175149.4 Ų149.482%0.81881%0.812SS**  trans-150.3162.6157.3-140.2160.1-167.100112.6
376H46.1Very low36.1Very low170 Ų170150.2 Ų150.279%0.78782%0.817SS**  trans-128.876.2-173.8-84.918.6000111.4Y378H376-Y378 PolarHBondContact O-N 3.12Å
377D36.8Very low36.1Very low163 Ų163151 Ų15187%0.87282%0.82SS**  trans-63107.9174.8-81.3-29.9000111.9
378Y40.4Very low35.9Very low213 Ų213150.7 Ų150.784%0.83582%0.819SS**  trans-80166.3160.4-111.8-105.9000110.6H376H376-Y378 PolarHBondContact O-N 3.12Å
379D39.9Very low36.1Very low142 Ų142149 Ų14976%0.75982%0.82SS**  trans62123.9174-69.7-23.9000118.7
380N37.2Very low35.7Very low165 Ų165149.4 Ų149.488%0.88282%0.817SS**  trans-171.981.2143.5-109.8-71.7000111.1
381V35.3Very low35.5Very low144 Ų144152.4 Ų152.487%0.87381%0.814SS**SBendtrans-149.5116.5151.4-157.60000111.8
382A33.3Very low35.1Very low73 Ų73150.6 Ų150.660%0.60381%0.81SS**  trans45.810215400000119.7
383S32.8Very low34.8Very low117 Ų117148.8 Ų148.882%0.81881%0.805SS**  trans-79.2102147.453.30000110E385S383-E385 PolarHBondContact O-N 3.04Å
384D33.2Very low34.7Very low156 Ų156148.5 Ų148.583%0.83480%0.798SS**  trans-94.864.1172.7-69.9-13.6000110.3
385E35Very low34Very low182 Ų182147.2 Ų147.285%0.8579%0.791SS**  trans-124.9124.2165.3-71.8-167.6140.300109.2S383S383-E385 PolarHBondContact O-N 3.04Å
386D32.8Very low33.6Very low168 Ų168144.8 Ų144.890%0.89878%0.784SS**  trans-153.4152.7149.2-131.6-28.5000110
387T35.4Very low32.8Very low124 Ų124143 Ų14376%0.76178%0.78SS**  trans-121.7148-162.5-58.50000112.4S389T387-S389 PolarHBondContact O-N 3.31Å
388D33.1Very low32.4Very low158 Ų158142.2 Ų142.285%0.84578%0.776SS**  trans-52.9133.1172.8-79.3-51.2000112.8
389S31.8Very low31.8Very low126 Ų126137 Ų13788%0.88177%0.766SS**  trans-152.9152.3159.7-82.80000110.6T387T387-S389 PolarHBondContact O-N 3.31Å
390E31.6Very low31.3Very low170 Ų170137.4 Ų137.479%0.79476%0.764SS**  trans-115.2162.5-143.8-149.6-170.6175.500114.2
391L27.8Very low30.8Very low140 Ų140140.5 Ų140.573%0.73376%0.763SS**  trans74.8149.9167-51170.3000115
392T27.6Very low30.7Very low113 Ų113138.2 Ų138.269%0.69375%0.754SS**  cis-155136.735.7-32.80000114.1
393T28.4Very low30.7Very low112 Ų112141.8 Ų141.869%0.68776%0.763SS**  trans56.6126.6149.546.40000124.8
394Q30.9Very low30.6Very low161 Ų161147.9 Ų147.975%0.75277%0.768SS**  100.2115.9124.7-80.3178.215.200123.5
395N28Very low30.6Very low120 Ų120144.9 Ų144.964%0.64276%0.764SS**  trans84.1103.6130.3-69.5-10.3000122.8
396N29Very low30.4Very low123 Ų123146.6 Ų146.666%0.65877%0.769SS**  89.2107.6118-69.7-12.4000122.3
397N28.5Very low30.4Very low132 Ų132144.1 Ų144.171%0.70677%0.765SS**  90122122.2-65.7-18.4000121.6
398N28.1Very low30.5Very low148 Ų148145.5 Ų145.579%0.79176%0.764SS**  trans70.4143.4139.9-89.21.4000118.8
399T27.5Very low30.5Very low102 Ų102144.7 Ų144.763%0.62676%0.76SS**  cis-159161.2-3.2-13.30000110.1
400Q29.4Very low30.5Very low151 Ų151143.5 Ų143.571%0.70675%0.752SS**  trans65.9144.6160.7-63.3178.527.400115.8
401R28.4Very low30.9Very low230 Ų230140.7 Ų140.787%0.86875%0.751SS**  cis-155.4164.217-132.4159.4-177.21730.6110.9
402S31.7Very low31.3Very low97 Ų97139.7 Ų139.768%0.67875%0.746SS**  trans-70.5163.5-168.7-157.40000116.4
403N33.5Very low31.9Very low148 Ų148142.9 Ų142.979%0.79176%0.758SS**  trans80.2103.4158.8-52.7-17.8000118.8
404R31Very low32.3Very low245 Ų245141.8 Ų141.893%0.92576%0.755SS**  -175.4154.2105.6-166.6160.4-179147.6-4.2111
405A32.3Very low33Very low92 Ų92142.7 Ų142.776%0.7677%0.765SS**  trans51.4101.8167.200000118.3
406K32.1Very low34.4Very low218 Ų218139.2 Ų139.295%0.94876%0.757SS**  trans-84.8109.3149.2-77.3-170.1171.7-169.10108.4
407S33.2Very low35.8Very low116 Ų116139.4 Ų139.481%0.81177%0.766SS**  trans-89.8138.8157.2-167.30000107.6D409S407-D409 PolarHBondContact O-N 2.95Å
408M35.8Very low37.7Very low153 Ų153139.9 Ų139.975%0.75477%0.767SS**  trans-85.3111.4175.8-74.5160.363.300108.9
409D33.3Very low40.3Very low142 Ų142136.2 Ų136.276%0.75975%0.75SS**  trans-84.1144.4149.3-172.410.2000108S407S407-D409 PolarHBondContact O-N 2.95Å
410S33.1Very low42.8Very low100 Ų100137.5 Ų137.570%0.69975%0.752SS**  trans-169.942.1-172.3-1720000112.2D412S410-D412 VanDerWaalsContact C-N 3.32Å; S410-D412 PolarHBondContact O-N 2.68Å; S410-D412 VanDerWaalsContact O-N 3.13Å
411S40.3Very low45.2Very low112 Ų112135.7 Ų135.778%0.78374%0.744SS**  trans-83.570.1173.964.30000112.7
412D35.4Very low47.6Very low118 Ų118129.5 Ų129.563%0.63172%0.724SS**  trans-140.9117.6162.4-171.92.3000109.6S410 S414S410-D412 VanDerWaalsContact C-N 3.32Å; S410-D412 PolarHBondContact O-N 2.68Å; S410-D412 VanDerWaalsContact O-N 3.13Å; D412-S414 PolarHBondContact OD1-N 2.61Å; D412-S414 VanDerWaalsContact OD1-N 3.1Å
413L39.8Very low49.9Very low180 Ų180131.3 Ų131.394%0.94272%0.717SS**  trans-119.862.5173.2-72.7-179.8000109
414S37.7Very low52.5Low90 Ų90128.3 Ų128.363%0.62970%0.701SS**  trans-67.8136.4162.547.70000110.3D412 G416D412-S414 PolarHBondContact OD1-N 2.61Å; D412-S414 VanDerWaalsContact OD1-N 3.1Å; S414-G416 PolarHBondContact O-N 2.84Å
415D45.6Very low55.2Low180 Ų180121.2 Ų121.296%0.96368%0.678SS**  trans-8059.2-173.5-159.314.3000111.1
416G57.6Low57.6Low46 Ų46121.5 Ų121.547%0.47467%0.67SS.*  trans-93.8165.9-17600000113.9S414 I418S414-G416 PolarHBondContact O-N 2.84Å; G416-I418 PolarHBondContact O-N 3.06Å
417P58.1Low60.3Low128 Ų128116.9 Ų116.983%0.83165%0.65SS**  trans-66.4118.2174.528-33.5000110.7T419P417-T419 PolarHBondContact O-N 3.4Å
418I67.3Low63Low142 Ų142119.2 Ų119.273%0.72865%0.646SS**  trans-43.1122.2-176.7-58170.6000111.4G416 E422G416-I418 PolarHBondContact O-N 3.06Å; I418-E422 HydrophobicContact CG2-CB 4.23Å
419T84.2Confident65.4Low71 Ų71114.9 Ų114.944%0.43663%0.634SS.*  trans-73.2153.9179.971.40000111.4P417 Q421 E422 Y423P417-T419 PolarHBondContact O-N 3.4Å; T419-Q421 PolarHBondContact O-N 3.07Å; T419-Q421 VanDerWaalsContact O-N 3.17Å; T419-E422 WeakPolarHBondContact CA-OE2 3.39Å; T419-E422 WeakPolarHBondContact CB-OE2 3.17Å; T419-E422 VanDerWaalsContact CG2-OE2 3.3Å; T419-E422 WeakPolarHBondContact CG2-OE2 3.32Å; T419-E422 PolarHBondContact N-OE2 2.9Å; T419-E422 PolarHBondContact O-N 3.13Å; T419-E422 WeakPolarHBondContact OG1-CG 3.35Å; T419-E422 PolarHBondContact OG1-N 3.28Å; T419-E422 PolarHBondContact OG1-OE2 2.99Å; T419-Y423 PolarHBondContact O-N 3.4Å; T419-Y423 VanDerWaalsContact O-N 3.12Å
420L78.7Confident67.9Low128 Ų128112.8 Ų112.867%0.6762%0.622SS**Hα-helixtrans-59.5-27.5175.2-177.360.1000112.3Y423 L424L420-Y423 HydrophobicContact CD1-CD1 4.28Å; L420-L424 HydrophobicContact CD1-CD1 4.5Å; L420-L424 HydrophobicContact CG-CD1 4.23Å; L420-L424 VanDerWaalsContact O-CG 3.23Å; L420-L424 WeakPolarHBondContact O-CG 3.21Å; L420-L424 PolarHBondContact O-N 3.41Å; L420-L424 VanDerWaalsContact O-N 3.14Å
421Q79.9Confident70.6Confident114 Ų114110.5 Ų110.553%0.53361%0.61SS.*Hα-helixtrans-69.1-51.2177.6-176.562.223.200111.3T419 Y423 L424 E425T419-Q421 PolarHBondContact O-N 3.07Å; T419-Q421 VanDerWaalsContact O-N 3.17Å; Q421-Y423 VanDerWaalsContact C-N 3.31Å; Q421-Y423 PolarHBondContact O-N 3.48Å; Q421-L424 PolarHBondContact O-N 3.09Å; Q421-L424 VanDerWaalsContact O-N 3.11Å; Q421-E425 PolarHBondContact NE2-OE1 3.19Å; Q421-E425 PolarHBondContact O-N 3.42Å
422E79.9Confident72.8Confident100 Ų100109.1 Ų109.147%0.46760%0.6SS.*Hα-helixtrans-59.4-42.7177.3-66.9159.6107.900111.3I418 T419 L424 E425 V426I418-E422 HydrophobicContact CG2-CB 4.23Å; T419-E422 WeakPolarHBondContact CA-OE2 3.39Å; T419-E422 WeakPolarHBondContact CB-OE2 3.17Å; T419-E422 VanDerWaalsContact CG2-OE2 3.3Å; T419-E422 WeakPolarHBondContact CG2-OE2 3.32Å; T419-E422 PolarHBondContact N-OE2 2.9Å; T419-E422 PolarHBondContact O-N 3.13Å; T419-E422 WeakPolarHBondContact OG1-CG 3.35Å; T419-E422 PolarHBondContact OG1-N 3.28Å; T419-E422 PolarHBondContact OG1-OE2 2.99Å; E422-L424 VanDerWaalsContact C-N 3.32Å; E422-L424 PolarHBondContact O-N 3.42Å; E422-E425 PolarHBondContact O-N 3.46Å; E422-V426 WeakPolarHBondContact O-CB 3.5Å; E422-V426 WeakPolarHBondContact O-CG2 3.26Å; E422-V426 PolarHBondContact O-N 3.31Å
423Y79.4Confident75Confident134 Ų134106.8 Ų106.853%0.52559%0.593SS.*Hα-helixtrans-59.3-40.5175.4174.9-109000112.6T419 L420 Q421 K427T419-Y423 PolarHBondContact O-N 3.4Å; T419-Y423 VanDerWaalsContact O-N 3.12Å; L420-Y423 HydrophobicContact CD1-CD1 4.28Å; Q421-Y423 VanDerWaalsContact C-N 3.31Å; Q421-Y423 PolarHBondContact O-N 3.48Å; Y423-K427 WeakPolarHBondContact O-CB 3.24Å; Y423-K427 PolarHBondContact O-N 3.4Å
424L88.5Confident77.3Confident86 Ų86103 Ų10345%0.4557%0.571SS.*Hα-helixtrans-70.4-34.5176.9-72.8170.7000112.6L420 Q421 E422 K428L420-L424 HydrophobicContact CD1-CD1 4.5Å; L420-L424 HydrophobicContact CG-CD1 4.23Å; L420-L424 VanDerWaalsContact O-CG 3.23Å; L420-L424 WeakPolarHBondContact O-CG 3.21Å; L420-L424 PolarHBondContact O-N 3.41Å; L420-L424 VanDerWaalsContact O-N 3.14Å; Q421-L424 PolarHBondContact O-N 3.09Å; Q421-L424 VanDerWaalsContact O-N 3.11Å; E422-L424 VanDerWaalsContact C-N 3.32Å; E422-L424 PolarHBondContact O-N 3.42Å; L424-K428 WeakPolarHBondContact O-CB 3.44Å; L424-K428 PolarHBondContact O-N 3.15Å
425E86.1Confident79.9Confident95 Ų95101.5 Ų101.544%0.44456%0.563SS.*Hα-helixtrans-71.3-43.6175.3-70.9-174.1-158.500112.1Q421 E422 K427 K428 A429Q421-E425 PolarHBondContact NE2-OE1 3.19Å; Q421-E425 PolarHBondContact O-N 3.42Å; E422-E425 PolarHBondContact O-N 3.46Å; E425-K427 VanDerWaalsContact C-N 3.35Å; E425-K427 PolarHBondContact O-N 3.34Å; E425-K428 WeakPolarHBondContact O-CB 3.45Å; E425-K428 PolarHBondContact O-N 3.16Å; E425-A429 WeakPolarHBondContact O-CB 3.4Å; E425-A429 PolarHBondContact O-N 3.37Å
426V84.2Confident82.1Confident98 Ų98100.1 Ų100.159%0.59455%0.549SS*.Hα-helixtrans-60.1-43.5171.3171.40000110.9E422 K428 A429 L430E422-V426 WeakPolarHBondContact O-CB 3.5Å; E422-V426 WeakPolarHBondContact O-CG2 3.26Å; E422-V426 PolarHBondContact O-N 3.31Å; V426-K428 VanDerWaalsContact C-N 3.32Å; V426-K428 PolarHBondContact O-N 3.41Å; V426-A429 PolarHBondContact O-N 3.5Å; V426-L430 WeakPolarHBondContact O-CB 3.41Å; V426-L430 PolarHBondContact O-N 3.26Å
427K87.8Confident83.7Confident121 Ų121101.3 Ų101.353%0.52655%0.546SS..Hα-helixtrans-61.3-38.5175.7-175178-178.4-179.90112.4Y423 E425 A431Y423-K427 WeakPolarHBondContact O-CB 3.24Å; Y423-K427 PolarHBondContact O-N 3.4Å; E425-K427 VanDerWaalsContact C-N 3.35Å; E425-K427 PolarHBondContact O-N 3.34Å; K427-A431 PolarHBondContact O-N 2.77Å; K427-A431 VanDerWaalsContact O-N 3.12Å
428K90.6Very high85.1Confident166 Ų166101.6 Ų101.672%0.72254%0.537SS*.Hα-helixtrans-69.6-39.4175.7-175.4-178.3176.8-173.50112L424 E425 V426 S432L424-K428 WeakPolarHBondContact O-CB 3.44Å; L424-K428 PolarHBondContact O-N 3.15Å; E425-K428 WeakPolarHBondContact O-CB 3.45Å; E425-K428 PolarHBondContact O-N 3.16Å; V426-K428 VanDerWaalsContact C-N 3.32Å; V426-K428 PolarHBondContact O-N 3.41Å; K428-S432 PolarHBondContact O-N 3.24Å; K428-S432 VanDerWaalsContact O-N 3.15Å
429A85.6Confident86.3Confident62 Ų62100.2 Ų100.251%0.51253%0.527SS..Hα-helixtrans-65.2-41.9174.200000111.8E425 V426 S432 S433E425-A429 WeakPolarHBondContact O-CB 3.4Å; E425-A429 PolarHBondContact O-N 3.37Å; V426-A429 PolarHBondContact O-N 3.5Å; A429-S432 WeakPolarHBondContact O-CB 3.34Å; A429-S432 PolarHBondContact O-N 3.4Å; A429-S433 PolarHBondContact O-N 3.25Å
430L87.3Confident86.4Confident97 Ų97102 Ų10251%0.50853%0.534SS..Hα-helixtrans-59.2-51.8175.717960000111.5V426 S432 S433 E434V426-L430 WeakPolarHBondContact O-CB 3.41Å; V426-L430 PolarHBondContact O-N 3.26Å; L430-S432 PolarHBondContact O-N 2.91Å; L430-S433 CarbonylContact O-C 3.53Å; L430-S433 WeakPolarHBondContact O-CA 3.34Å; L430-S433 VanDerWaalsContact O-CB 3.31Å; L430-S433 WeakPolarHBondContact O-CB 3.35Å; L430-S433 PolarHBondContact O-N 3.18Å; L430-E434 HydrophobicContact CD1-CG 4.33Å; L430-E434 WeakPolarHBondContact O-CG 3.49Å; L430-E434 PolarHBondContact O-N 2.94Å
431A88.7Confident86.8Confident53 Ų53101.7 Ų101.744%0.43853%0.53SS..Hα-helixtrans-60-34.2177.700000112.9K427 A435K427-A431 PolarHBondContact O-N 2.77Å; K427-A431 VanDerWaalsContact O-N 3.12Å; A431-A435 WeakPolarHBondContact O-CB 3.43Å; A431-A435 PolarHBondContact O-N 3.36Å; A431-A435 VanDerWaalsContact O-N 3.15Å
432S86.6Confident87.3Confident83 Ų83102.3 Ų102.358%0.5853%0.531SS*.Hα-helixtrans-68.1-38.7173.2-1700000112.4K428 A429 L430 K436K428-S432 PolarHBondContact O-N 3.24Å; K428-S432 VanDerWaalsContact O-N 3.15Å; A429-S432 WeakPolarHBondContact O-CB 3.34Å; A429-S432 PolarHBondContact O-N 3.4Å; L430-S432 PolarHBondContact O-N 2.91Å; S432-K436 WeakPolarHBondContact O-CB 3.27Å; S432-K436 PolarHBondContact O-N 2.99Å; S432-K436 VanDerWaalsContact O-N 3.16Å
433S81.7Confident88Confident68 Ų68101.2 Ų101.248%0.47653%0.531SS..Hα-helixtrans-65.6-47174.7-165.10000111.8A429 L430 A435 K436 V437A429-S433 PolarHBondContact O-N 3.25Å; L430-S433 CarbonylContact O-C 3.53Å; L430-S433 WeakPolarHBondContact O-CA 3.34Å; L430-S433 VanDerWaalsContact O-CB 3.31Å; L430-S433 WeakPolarHBondContact O-CB 3.35Å; L430-S433 PolarHBondContact O-N 3.18Å; S433-A435 PolarHBondContact O-N 3.28Å; S433-K436 CarbonylContact O-C 3.52Å; S433-K436 WeakPolarHBondContact O-CA 3.45Å; S433-K436 WeakPolarHBondContact O-CB 3.49Å; S433-K436 PolarHBondContact O-N 3.1Å; S433-V437 WeakPolarHBondContact O-CG2 3.48Å; S433-V437 PolarHBondContact O-N 3.42Å
434E89Confident88.2Confident102 Ų10299.6 Ų99.648%0.47753%0.531SS..Hα-helixtrans-57.3-47.1176.9-71.2175.1159.900112L430 K436 V437 Q438L430-E434 HydrophobicContact CD1-CG 4.33Å; L430-E434 WeakPolarHBondContact O-CG 3.49Å; L430-E434 PolarHBondContact O-N 2.94Å; E434-K436 VanDerWaalsContact C-N 3.27Å; E434-K436 PolarHBondContact O-N 3.42Å; E434-V437 PolarHBondContact O-N 3.13Å; E434-Q438 WeakPolarHBondContact O-CG 3.31Å; E434-Q438 PolarHBondContact O-N 3.18Å
435A91.7Very high88.3Confident57 Ų57100.4 Ų100.447%0.47154%0.536SS..Hα-helixtrans-60.2-37.2175.100000112.3A431 S433 Q439A431-A435 WeakPolarHBondContact O-CB 3.43Å; A431-A435 PolarHBondContact O-N 3.36Å; A431-A435 VanDerWaalsContact O-N 3.15Å; S433-A435 PolarHBondContact O-N 3.28Å; A435-Q439 PolarHBondContact O-N 3.12Å
436K90.7Very high88.6Confident151 Ų151100.1 Ų100.166%0.65754%0.538SS*.Hα-helixtrans-71.4-36.8177.1-161.9171-174.4177.20112.2S432 S433 E434 Q439 L440S432-K436 WeakPolarHBondContact O-CB 3.27Å; S432-K436 PolarHBondContact O-N 2.99Å; S432-K436 VanDerWaalsContact O-N 3.16Å; S433-K436 CarbonylContact O-C 3.52Å; S433-K436 WeakPolarHBondContact O-CA 3.45Å; S433-K436 WeakPolarHBondContact O-CB 3.49Å; S433-K436 PolarHBondContact O-N 3.1Å; E434-K436 VanDerWaalsContact C-N 3.27Å; E434-K436 PolarHBondContact O-N 3.42Å; K436-Q439 PolarHBondContact O-N 3.26Å; K436-L440 WeakPolarHBondContact O-CB 3.39Å; K436-L440 WeakPolarHBondContact O-CG 3.33Å; K436-L440 PolarHBondContact O-N 3.39Å
437V91.2Very high88.9Confident71 Ų71100.4 Ų100.443%0.4354%0.536SS..Hα-helixtrans-64.3-45.2172.6171.10000110.8S433 E434 Q439 L440 M441S433-V437 WeakPolarHBondContact O-CG2 3.48Å; S433-V437 PolarHBondContact O-N 3.42Å; E434-V437 PolarHBondContact O-N 3.13Å; V437-Q439 VanDerWaalsContact C-N 3.34Å; V437-Q439 PolarHBondContact O-N 2.91Å; V437-L440 PolarHBondContact O-N 2.93Å; V437-M441 HydrophobicContact CG1-CE 4.26Å; V437-M441 HydrophobicContact CG1-SD 4.47Å; V437-M441 WeakPolarHBondContact O-CG 3.43Å; V437-M441 PolarHBondContact O-N 3.3Å
438Q88.1Confident89Confident135 Ų13597.2 Ų97.263%0.63153%0.528SS*.Hα-helixtrans-60-42.5175.6-70.717714.100112.1E434 M441 K442E434-Q438 WeakPolarHBondContact O-CG 3.31Å; E434-Q438 PolarHBondContact O-N 3.18Å; Q438-M441 PolarHBondContact O-N 3.14Å; Q438-K442 PolarHBondContact O-N 3.4Å
439Q92.1Very high89.1Confident112 Ų11295.5 Ų95.552%0.52352%0.523SS..Hα-helixtrans-65.3-39.5175.6-179.464.10.500112.2A435 K436 V437 K442 V443A435-Q439 PolarHBondContact O-N 3.12Å; K436-Q439 PolarHBondContact O-N 3.26Å; V437-Q439 VanDerWaalsContact C-N 3.34Å; V437-Q439 PolarHBondContact O-N 2.91Å; Q439-K442 PolarHBondContact O-N 2.64Å; Q439-V443 WeakPolarHBondContact O-CG2 3.32Å; Q439-V443 PolarHBondContact O-N 3.35Å
440L87.1Confident89.5Confident110 Ų11096.5 Ų96.558%0.57652%0.517SS*.Hα-helixtrans-66-40.3174.8-74.7169.4000112.2K436 V437 K442 V443 N444K436-L440 WeakPolarHBondContact O-CB 3.39Å; K436-L440 WeakPolarHBondContact O-CG 3.33Å; K436-L440 PolarHBondContact O-N 3.39Å; V437-L440 PolarHBondContact O-N 2.93Å; L440-K442 VanDerWaalsContact C-N 3.32Å; L440-K442 PolarHBondContact O-N 2.78Å; L440-V443 PolarHBondContact O-N 3.41Å; L440-N444 WeakPolarHBondContact O-CB 3.46Å; L440-N444 PolarHBondContact O-N 3.44Å
441M86.6Confident89.6Confident121 Ų12195.1 Ų95.160%0.59651%0.512SS*.Hα-helixtrans-59.1-43.4172.2-75.1-178.4166.600111.5V437 Q438 N444 N445V437-M441 HydrophobicContact CG1-CE 4.26Å; V437-M441 HydrophobicContact CG1-SD 4.47Å; V437-M441 WeakPolarHBondContact O-CG 3.43Å; V437-M441 PolarHBondContact O-N 3.3Å; Q438-M441 PolarHBondContact O-N 3.14Å; M441-N444 PolarHBondContact O-N 3.22Å; M441-N445 VanDerWaalsContact O-CG 3.31Å; M441-N445 PolarHBondContact O-N 2.82Å
442K91.6Very high89.9Confident127 Ų12799.7 Ų99.755%0.55252%0.518SS*.Hα-helixtrans-61.8-44.8176-171.4175.3-178.1176.90112.2Q438 Q439 L440 N445 N446Q438-K442 PolarHBondContact O-N 3.4Å; Q439-K442 PolarHBondContact O-N 2.64Å; L440-K442 VanDerWaalsContact C-N 3.32Å; L440-K442 PolarHBondContact O-N 2.78Å; K442-N445 PolarHBondContact O-N 3.3Å; K442-N446 PolarHBondContact O-N 3.34Å; K442-N446 VanDerWaalsContact O-N 3.09Å; K442-N446 PolarHBondContact O-OD1 2.87Å; K442-N446 VanDerWaalsContact O-OD1 3.09Å
443V93.2Very high90.3Very high76 Ų76101 Ų10146%0.46151%0.51SS..Hα-helixtrans-63.7-40.1175.7172.20000111.6Q439 L440 N446 L447Q439-V443 WeakPolarHBondContact O-CG2 3.32Å; Q439-V443 PolarHBondContact O-N 3.35Å; L440-V443 PolarHBondContact O-N 3.41Å; V443-N446 PolarHBondContact O-N 3.25Å; V443-L447 WeakPolarHBondContact O-CB 3.49Å; V443-L447 PolarHBondContact O-N 2.85Å
444N84.6Confident90.9Very high100 Ų100101.9 Ų101.954%0.53551%0.509SS..Hα-helixtrans-68.4-36.1179.4-163.320.4000112.5L440 M441 L447 S448L440-N444 WeakPolarHBondContact O-CB 3.46Å; L440-N444 PolarHBondContact O-N 3.44Å; M441-N444 PolarHBondContact O-N 3.22Å; N444-L447 PolarHBondContact O-N 3.42Å; N444-S448 WeakPolarHBondContact O-CB 3.25Å; N444-S448 PolarHBondContact O-N 3.12Å; N444-S448 PolarHBondContact O-OG 3.28Å
445N90.9Very high90.9Very high103 Ų103102.3 Ų102.355%0.55151%0.512SS*.Hα-helixtrans-62.3-50.3171.3-72-12.4000111M441 K442 L447 S448 E449M441-N445 VanDerWaalsContact O-CG 3.31Å; M441-N445 PolarHBondContact O-N 2.82Å; K442-N445 PolarHBondContact O-N 3.3Å; N445-L447 VanDerWaalsContact C-N 3.32Å; N445-L447 PolarHBondContact O-N 3.24Å; N445-S448 WeakPolarHBondContact O-CB 3.29Å; N445-S448 PolarHBondContact O-N 3.03Å; N445-S448 VanDerWaalsContact O-N 3.1Å; N445-E449 PolarHBondContact O-N 3.11Å
446N92.3Very high91Very high90 Ų90106.5 Ų106.548%0.48152%0.519SS..Hα-helixtrans-56.7-45.1176.1-68.316.1000111.6K442 V443 S448 E449 E450K442-N446 PolarHBondContact O-N 3.34Å; K442-N446 VanDerWaalsContact O-N 3.09Å; K442-N446 PolarHBondContact O-OD1 2.87Å; K442-N446 VanDerWaalsContact O-OD1 3.09Å; V443-N446 PolarHBondContact O-N 3.25Å; N446-S448 VanDerWaalsContact C-N 3.3Å; N446-S448 PolarHBondContact O-N 3.41Å; N446-E449 WeakPolarHBondContact O-CB 3.33Å; N446-E449 PolarHBondContact O-N 3.37Å; N446-E449 VanDerWaalsContact O-N 3.14Å; N446-E450 WeakPolarHBondContact O-CG 3.35Å; N446-E450 PolarHBondContact O-N 3.49Å
447L90.2Very high91.1Very high104 Ų104102.3 Ų102.355%0.54550%0.502SS..Hα-helixtrans-65.6-33178.5-169.864.7000112.3V443 N444 N445 E449 E450 V451V443-L447 WeakPolarHBondContact O-CB 3.49Å; V443-L447 PolarHBondContact O-N 2.85Å; N444-L447 PolarHBondContact O-N 3.42Å; N445-L447 VanDerWaalsContact C-N 3.32Å; N445-L447 PolarHBondContact O-N 3.24Å; L447-E449 VanDerWaalsContact C-N 3.33Å; L447-E450 WeakPolarHBondContact O-CB 3.47Å; L447-E450 PolarHBondContact O-N 3.09Å; L447-V451 WeakPolarHBondContact O-CB 3.49Å; L447-V451 WeakPolarHBondContact O-CG2 3.28Å; L447-V451 PolarHBondContact O-N 3.49Å
448S90.3Very high91.1Very high53 Ų53103 Ų10337%0.37150%0.502SS..Hα-helixtrans-68.8-30.7173.4-60.50000112.5N444 N445 N446 R452N444-S448 WeakPolarHBondContact O-CB 3.25Å; N444-S448 PolarHBondContact O-N 3.12Å; N444-S448 PolarHBondContact O-OG 3.28Å; N445-S448 WeakPolarHBondContact O-CB 3.29Å; N445-S448 PolarHBondContact O-N 3.03Å; N445-S448 VanDerWaalsContact O-N 3.1Å; N446-S448 VanDerWaalsContact C-N 3.3Å; N446-S448 PolarHBondContact O-N 3.41Å; S448-R452 VanDerWaalsContact O-CB 3.3Å; S448-R452 WeakPolarHBondContact O-CB 3.39Å; S448-R452 PolarHBondContact O-N 3.48Å; S448-R452 VanDerWaalsContact O-N 3.1Å
449E92.7Very high91.3Very high130 Ų130100.4 Ų100.461%0.60750%0.495SS*.Hα-helixtrans-73.8-41.9171.5-67.8-176.1163.300112.1N445 N446 L447 R452 R453N445-E449 PolarHBondContact O-N 3.11Å; N446-E449 WeakPolarHBondContact O-CB 3.33Å; N446-E449 PolarHBondContact O-N 3.37Å; N446-E449 VanDerWaalsContact O-N 3.14Å; L447-E449 VanDerWaalsContact C-N 3.33Å; E449-R452 PolarHBondContact O-N 2.91Å; E449-R453 PolarHBondContact O-N 3.34Å
450E92.4Very high91.4Very high83 Ų83100.4 Ų100.439%0.38849%0.491SS..Hα-helixtrans-55.3-52.1171.3-73.4-65.7125.900111.4N446 L447 R452 R453 L454N446-E450 WeakPolarHBondContact O-CG 3.35Å; N446-E450 PolarHBondContact O-N 3.49Å; L447-E450 WeakPolarHBondContact O-CB 3.47Å; L447-E450 PolarHBondContact O-N 3.09Å; E450-R452 VanDerWaalsContact C-N 3.34Å; E450-R452 PolarHBondContact O-N 2.86Å; E450-R453 WeakPolarHBondContact O-CB 3.49Å; E450-R453 PolarHBondContact O-N 3.45Å; E450-R453 VanDerWaalsContact O-N 3.11Å; E450-R453 IonicContact OE1-CZ 3.01Å; E450-R453 IonicContact OE1-NH1 2.69Å; E450-R453 PolarHBondContact OE1-NH1 3.12Å; E450-R453 IonicContact OE1-NH2 3.64Å; E450-R453 IonicContact OE2-CZ 2.87Å; E450-R453 IonicContact OE2-NH1 3.68Å; E450-R453 PolarHBondContact OE2-NH1 3.49Å; E450-R453 IonicContact OE2-NH2 3.35Å; E450-R453 PolarHBondContact OE2-NH2 2.98Å; E450-L454 WeakPolarHBondContact O-CG 3.31Å; E450-L454 PolarHBondContact O-N 3.45Å
451V91.1Very high91.5Very high68 Ų6899.3 Ų99.341%0.41248%0.484SS..Hα-helixtrans-59.5-43.4177168.80000111.1L447 R453 L454 Q455L447-V451 WeakPolarHBondContact O-CB 3.49Å; L447-V451 WeakPolarHBondContact O-CG2 3.28Å; L447-V451 PolarHBondContact O-N 3.49Å; V451-R453 VanDerWaalsContact C-N 3.32Å; V451-R453 PolarHBondContact O-N 3.35Å; V451-L454 PolarHBondContact O-N 3.17Å; V451-Q455 HydrophobicContact CG1-CG 4.43Å; V451-Q455 WeakPolarHBondContact O-CB 3.34Å; V451-Q455 VanDerWaalsContact O-CG 3.26Å; V451-Q455 WeakPolarHBondContact O-CG 3.45Å; V451-Q455 PolarHBondContact O-N 2.91Å
452R93.7Very high91.5Very high149 Ų14999.1 Ų99.156%0.56248%0.482SS*.Hα-helixtrans-65.3-31.7176.4-178.5176.8-78116.5-6.6112.6S448 E449 E450 K456S448-R452 VanDerWaalsContact O-CB 3.3Å; S448-R452 WeakPolarHBondContact O-CB 3.39Å; S448-R452 PolarHBondContact O-N 3.48Å; S448-R452 VanDerWaalsContact O-N 3.1Å; E449-R452 PolarHBondContact O-N 2.91Å; E450-R452 VanDerWaalsContact C-N 3.34Å; E450-R452 PolarHBondContact O-N 2.86Å; R452-K456 WeakPolarHBondContact O-CG 3.23Å; R452-K456 PolarHBondContact O-N 2.88Å
453R96.3Very high91.4Very high110 Ų11097.2 Ų97.242%0.41548%0.48SS..Hα-helixtrans-69.1-50.8172.3-169.9-17569.1-109.5-7110.6E449 E450 V451 Q455 K456 E457E449-R453 PolarHBondContact O-N 3.34Å; E450-R453 WeakPolarHBondContact O-CB 3.49Å; E450-R453 PolarHBondContact O-N 3.45Å; E450-R453 VanDerWaalsContact O-N 3.11Å; E450-R453 IonicContact OE1-CZ 3.01Å; E450-R453 IonicContact OE1-NH1 2.69Å; E450-R453 PolarHBondContact OE1-NH1 3.12Å; E450-R453 IonicContact OE1-NH2 3.64Å; E450-R453 IonicContact OE2-CZ 2.87Å; E450-R453 IonicContact OE2-NH1 3.68Å; E450-R453 PolarHBondContact OE2-NH1 3.49Å; E450-R453 IonicContact OE2-NH2 3.35Å; E450-R453 PolarHBondContact OE2-NH2 2.98Å; V451-R453 VanDerWaalsContact C-N 3.32Å; V451-R453 PolarHBondContact O-N 3.35Å; R453-Q455 VanDerWaalsContact C-N 3.28Å; R453-Q455 PolarHBondContact O-N 2.74Å; R453-K456 WeakPolarHBondContact O-CA 3.48Å; R453-K456 WeakPolarHBondContact O-CB 3.33Å; R453-K456 PolarHBondContact O-N 3.4Å; R453-E457 WeakPolarHBondContact O-CG 3.38Å; R453-E457 PolarHBondContact O-N 3.21Å
454L93.3Very high91.1Very high87 Ų8797.9 Ų97.946%0.45548%0.479SS..Hα-helixtrans-58.5-39.3179.4-68.6170.2000112.1E450 V451 K456 E457 I458E450-L454 WeakPolarHBondContact O-CG 3.31Å; E450-L454 PolarHBondContact O-N 3.45Å; V451-L454 PolarHBondContact O-N 3.17Å; L454-K456 PolarHBondContact O-N 2.98Å; L454-E457 PolarHBondContact O-N 2.7Å; L454-I458 WeakPolarHBondContact O-CG1 3.45Å; L454-I458 PolarHBondContact O-N 3.3Å
455Q90Very high90.9Very high112 Ų11297.6 Ų97.652%0.52348%0.477SS..Hα-helixtrans-60.3-41.4172.7-75.3170.1-12.800112.9V451 R453 I458 T459V451-Q455 HydrophobicContact CG1-CG 4.43Å; V451-Q455 WeakPolarHBondContact O-CB 3.34Å; V451-Q455 VanDerWaalsContact O-CG 3.26Å; V451-Q455 WeakPolarHBondContact O-CG 3.45Å; V451-Q455 PolarHBondContact O-N 2.91Å; R453-Q455 VanDerWaalsContact C-N 3.28Å; R453-Q455 PolarHBondContact O-N 2.74Å; Q455-I458 PolarHBondContact O-N 3.44Å; Q455-T459 PolarHBondContact O-N 3.27Å; Q455-T459 PolarHBondContact O-OG1 2.92Å
456K93.3Very high90.5Very high145 Ų14596.5 Ų96.563%0.6348%0.478SS*.Hα-helixtrans-64.2-39.2173.8-72.4176.6177.9-176.60111.9R452 R453 L454 T459 R460R452-K456 WeakPolarHBondContact O-CG 3.23Å; R452-K456 PolarHBondContact O-N 2.88Å; R453-K456 WeakPolarHBondContact O-CA 3.48Å; R453-K456 WeakPolarHBondContact O-CB 3.33Å; R453-K456 PolarHBondContact O-N 3.4Å; L454-K456 PolarHBondContact O-N 2.98Å; K456-T459 PolarHBondContact O-N 3.38Å; K456-R460 WeakPolarHBondContact O-CB 3.46Å; K456-R460 PolarHBondContact O-N 3.41Å
457E91.9Very high90Very high63 Ų6395.6 Ų95.629%0.29448%0.483SS..Hα-helixtrans-69.6-40.1178-58.4-147.188.800112.4R453 L454 T459 R460 M461R453-E457 WeakPolarHBondContact O-CG 3.38Å; R453-E457 PolarHBondContact O-N 3.21Å; L454-E457 PolarHBondContact O-N 2.7Å; E457-T459 VanDerWaalsContact C-N 3.32Å; E457-T459 PolarHBondContact O-N 3.28Å; E457-R460 WeakPolarHBondContact O-CB 3.29Å; E457-R460 PolarHBondContact O-N 3.47Å; E457-R460 IonicContact OE1-CZ 3.71Å; E457-R460 VanDerWaalsContact OE1-CZ 3.25Å; E457-R460 IonicContact OE1-NH1 2.77Å; E457-R460 PolarHBondContact OE1-NH1 2.97Å; E457-R460 IonicContact OE1-NH2 3.25Å; E457-R460 PolarHBondContact OE1-NH2 3.26Å; E457-M461 WeakPolarHBondContact O-CG 3.4Å; E457-M461 PolarHBondContact O-N 3.14Å
458I92.4Very high89.3Confident85 Ų8596.3 Ų96.344%0.43649%0.486SS..Hα-helixtrans-59.3-45.1171.7-69.5165.8000110.2L454 Q455 R460 M461 Q462L454-I458 WeakPolarHBondContact O-CG1 3.45Å; L454-I458 PolarHBondContact O-N 3.3Å; Q455-I458 PolarHBondContact O-N 3.44Å; I458-R460 PolarHBondContact O-N 3.18Å; I458-M461 HydrophobicContact CG1-CE 4.3Å; I458-M461 PolarHBondContact O-N 2.94Å; I458-Q462 HydrophobicContact CG2-CG 4.41Å; I458-Q462 WeakPolarHBondContact O-CB 3.33Å; I458-Q462 VanDerWaalsContact O-CG 3.24Å; I458-Q462 WeakPolarHBondContact O-CG 3.41Å; I458-Q462 PolarHBondContact O-N 3.42Å
459T91.1Very high88.5Confident80 Ų80102.5 Ų102.549%0.49150%0.502SS..Hα-helixtrans-61.7-44176.9-51.70000111.3Q455 K456 E457 Q462 T463Q455-T459 PolarHBondContact O-N 3.27Å; Q455-T459 PolarHBondContact O-OG1 2.92Å; K456-T459 PolarHBondContact O-N 3.38Å; E457-T459 VanDerWaalsContact C-N 3.32Å; E457-T459 PolarHBondContact O-N 3.28Å; T459-Q462 PolarHBondContact O-N 3.32Å; T459-T463 PolarHBondContact O-N 2.84Å; T459-T463 PolarHBondContact O-OG1 2.92Å
460R93.9Very high87.1Confident112 Ų11298.3 Ų98.342%0.42349%0.493SS..Hα-helixtrans-58.1-52.7175.7-172.6-174.670.4-126-5.2111.1K456 E457 I458 Q462 T463 E464K456-R460 WeakPolarHBondContact O-CB 3.46Å; K456-R460 PolarHBondContact O-N 3.41Å; E457-R460 WeakPolarHBondContact O-CB 3.29Å; E457-R460 PolarHBondContact O-N 3.47Å; E457-R460 IonicContact OE1-CZ 3.71Å; E457-R460 VanDerWaalsContact OE1-CZ 3.25Å; E457-R460 IonicContact OE1-NH1 2.77Å; E457-R460 PolarHBondContact OE1-NH1 2.97Å; E457-R460 IonicContact OE1-NH2 3.25Å; E457-R460 PolarHBondContact OE1-NH2 3.26Å; I458-R460 PolarHBondContact O-N 3.18Å; R460-Q462 VanDerWaalsContact C-N 3.28Å; R460-Q462 PolarHBondContact O-N 3.39Å; R460-T463 PolarHBondContact O-N 3.32Å; R460-T463 VanDerWaalsContact O-N 3.13Å; R460-T463 PolarHBondContact O-OG1 3.4Å; R460-E464 VanDerWaalsContact CG-OE1 3.31Å; R460-E464 WeakPolarHBondContact CG-OE1 3.48Å; R460-E464 IonicContact NE-OE1 3.99Å; R460-E464 WeakPolarHBondContact O-CG 3.27Å; R460-E464 PolarHBondContact O-N 3.37Å
461M89.9Confident85.6Confident88 Ų8896.8 Ų96.843%0.43350%0.5SS..Hα-helixtrans-62.3-33178.2-69.6-175-63.800112.8E457 I458 N465E457-M461 WeakPolarHBondContact O-CG 3.4Å; E457-M461 PolarHBondContact O-N 3.14Å; I458-M461 HydrophobicContact CG1-CE 4.3Å; I458-M461 PolarHBondContact O-N 2.94Å; M461-N465 WeakPolarHBondContact O-CB 3.27Å; M461-N465 PolarHBondContact O-N 3.02Å; M461-N465 PolarHBondContact O-ND2 3.35Å
462Q87.3Confident83.9Confident117 Ų117101.5 Ų101.555%0.54752%0.517SS..Hα-helixtrans-69-41.1173.9-76.5172-10.800111.9I458 T459 R460 S466I458-Q462 HydrophobicContact CG2-CG 4.41Å; I458-Q462 WeakPolarHBondContact O-CB 3.33Å; I458-Q462 VanDerWaalsContact O-CG 3.24Å; I458-Q462 WeakPolarHBondContact O-CG 3.41Å; I458-Q462 PolarHBondContact O-N 3.42Å; T459-Q462 PolarHBondContact O-N 3.32Å; R460-Q462 VanDerWaalsContact C-N 3.28Å; R460-Q462 PolarHBondContact O-N 3.39Å; Q462-S466 WeakPolarHBondContact O-CB 3.48Å; Q462-S466 PolarHBondContact O-N 3.42Å; Q462-S466 PolarHBondContact O-OG 2.93Å
463T88.2Confident81.8Confident86 Ų86103 Ų10353%0.52853%0.531SS..Hα-helixtrans-67.4-39.2173.849.60000112.5T459 R460 S466 A467T459-T463 PolarHBondContact O-N 2.84Å; T459-T463 PolarHBondContact O-OG1 2.92Å; R460-T463 PolarHBondContact O-N 3.32Å; R460-T463 VanDerWaalsContact O-N 3.13Å; R460-T463 PolarHBondContact O-OG1 3.4Å; T463-S466 PolarHBondContact O-N 3.08Å; T463-A467 WeakPolarHBondContact O-CB 3.4Å; T463-A467 PolarHBondContact O-N 2.99Å
464E88.3Confident79.5Confident91 Ų91102.3 Ų102.343%0.42555%0.548SS..Hα-helixtrans-63.2-46.9174.4-71.8163.717600111.3R460 S466 A467 L468R460-E464 VanDerWaalsContact CG-OE1 3.31Å; R460-E464 WeakPolarHBondContact CG-OE1 3.48Å; R460-E464 IonicContact NE-OE1 3.99Å; R460-E464 WeakPolarHBondContact O-CG 3.27Å; R460-E464 PolarHBondContact O-N 3.37Å; E464-S466 VanDerWaalsContact C-N 3.29Å; E464-S466 PolarHBondContact O-N 3.43Å; E464-A467 PolarHBondContact O-N 3.2Å; E464-L468 WeakPolarHBondContact O-CG 3.43Å; E464-L468 PolarHBondContact O-N 2.68Å
465N79.9Confident77.2Confident93 Ų93101.7 Ų101.750%0.49756%0.563SS.*Hα-helixtrans-60.9-36.8174-89.4-86.9000112.7M461 R469M461-N465 WeakPolarHBondContact O-CB 3.27Å; M461-N465 PolarHBondContact O-N 3.02Å; M461-N465 PolarHBondContact O-ND2 3.35Å; N465-R469 WeakPolarHBondContact O-CB 3.49Å; N465-R469 WeakPolarHBondContact O-CG 3.39Å; N465-R469 PolarHBondContact O-N 2.98Å
466S82.7Confident74.8Confident81 Ų81100 Ų10057%0.56658%0.575SS**Hα-helixtrans-68.2-41.7177.2-58.40000111.4Q462 T463 E464 R469 G470Q462-S466 WeakPolarHBondContact O-CB 3.48Å; Q462-S466 PolarHBondContact O-N 3.42Å; Q462-S466 PolarHBondContact O-OG 2.93Å; T463-S466 PolarHBondContact O-N 3.08Å; E464-S466 VanDerWaalsContact C-N 3.29Å; E464-S466 PolarHBondContact O-N 3.43Å; S466-R469 PolarHBondContact O-N 3.47Å; S466-G470 PolarHBondContact O-N 3.12Å
467A81.1Confident72.2Confident71 Ų7198.1 Ų98.159%0.58759%0.587SS**Hα-helixtrans-64.9-43175.100000112.2T463 E464 G470 G471T463-A467 WeakPolarHBondContact O-CB 3.4Å; T463-A467 PolarHBondContact O-N 2.99Å; E464-A467 PolarHBondContact O-N 3.2Å; A467-G470 PolarHBondContact O-N 3.13Å; A467-G471 PolarHBondContact O-N 2.84Å
468L76Confident69.6Low118 Ų118100.1 Ų100.162%0.61862%0.615SS**Hα-helixtrans-62.4-42.8176.1-71.9168.9000112.1E464 G471 Q472E464-L468 WeakPolarHBondContact O-CG 3.43Å; E464-L468 PolarHBondContact O-N 2.68Å; L468-G471 PolarHBondContact O-N 3.48Å; L468-Q472 PolarHBondContact O-N 3.2Å; L468-Q472 VanDerWaalsContact O-N 3.15Å
469R72.6Confident66.8Low184 Ų18499.8 Ų99.869%0.69463%0.632SS**Hα-helixtrans-64.8-38.6174.5-77.4175.6168.9-91-1.3112.6N465 S466N465-R469 WeakPolarHBondContact O-CB 3.49Å; N465-R469 WeakPolarHBondContact O-CG 3.39Å; N465-R469 PolarHBondContact O-N 2.98Å; S466-R469 PolarHBondContact O-N 3.47Å
470G64.4Low64.1Low42 Ų42105.7 Ų105.743%0.43365%0.653SS.*Hα-helixtrans-63.8-43.917300000112.7S466 A467 Q472 Q473S466-G470 PolarHBondContact O-N 3.12Å; A467-G470 PolarHBondContact O-N 3.13Å; G470-Q472 VanDerWaalsContact C-N 3.3Å; G470-Q472 PolarHBondContact O-N 2.95Å; G470-Q473 PolarHBondContact O-N 3.03Å; G470-Q473 VanDerWaalsContact O-N 3.08Å
471G59.3Low61.2Low51 Ų51103.8 Ų103.853%0.52667%0.669SS.*Hα-helixtrans-60.2-37.3177.500000113.4A467 L468 Q473 A474A467-G471 PolarHBondContact O-N 2.84Å; L468-G471 PolarHBondContact O-N 3.48Å; G471-Q473 PolarHBondContact O-N 3.47Å; G471-A474 PolarHBondContact O-N 3.42Å
472Q55.6Low58.6Low166 Ų166107 Ų10778%0.77669%0.693SS**Hα-helixtrans-69-17.1176.2-73.3-179.5-2800114.2L468 G470L468-Q472 PolarHBondContact O-N 3.2Å; L468-Q472 VanDerWaalsContact O-N 3.15Å; G470-Q472 VanDerWaalsContact C-N 3.3Å; G470-Q472 PolarHBondContact O-N 2.95Å
473Q51.3Low55.9Low182 Ų182105 Ų10585%0.8570%0.704SS**Hα-helixtrans-93.9-7.8178.7-101.7177.3-13.900114.7G470 G471G470-Q473 PolarHBondContact O-N 3.03Å; G470-Q473 VanDerWaalsContact O-N 3.08Å; G471-Q473 PolarHBondContact O-N 3.47Å
474A46.8Very low53.1Low94 Ų94104.6 Ų104.678%0.77772%0.717SS**SBendtrans-94.5-4-179.900000114.5G471G471-A474 PolarHBondContact O-N 3.42Å
475G46.3Very low51.8Low75 Ų75107 Ų10777%0.77374%0.74SS**SBendtrans-111.726.1-163.800000117.3
476G38.5Very low49.4Very low75 Ų75106.2 Ų106.277%0.77375%0.754SS**  trans-156.570.5-171.500000116.3
477A39.4Very low46.8Very low106 Ų106106.5 Ų106.588%0.87677%0.77SS**  trans-149.155.6178.400000114.8
478A35.7Very low44.4Very low106 Ų106106.8 Ų106.888%0.87678%0.78SS**  trans-164.6152.916300000112.1
479G34Very low42.2Very low77 Ų77105.4 Ų105.479%0.79479%0.794SS**  trans108.911015800000117
480H35.8Very low40.2Very low204 Ų204100.7 Ų100.794%0.94480%0.803SS**  trans-68.6160.4164.9-61.1-98.8000112
481G31.8Very low38.6Very low73 Ų73102.3 Ų102.375%0.75382%0.82SS**  trans153.897.614700000118.6
482V34.6Very low37.4Very low155 Ų155107.5 Ų107.594%0.93983%0.83SS**  trans10.5122.6141.1-173.70000119.1
483G31.7Very low36.1Very low75 Ų75112.1 Ų112.177%0.77384%0.84SS**  115133.8124.700000120.4
484G29.4Very low35.2Very low78 Ų78108.5 Ų108.580%0.80483%0.831SS**  trans100.5152.7146.200000118
485P59.9Low34.4Very low140 Ų140110.2 Ų110.291%0.90984%0.837SS**  trans-116.8161.7-176.641.4-31000115.7
486G29.9Very low33.7Very low77 Ų77110.1 Ų110.179%0.79484%0.836SS**  trans152.3145.8176.200000109
487G29.3Very low33.4Very low87 Ų87109.8 Ų109.890%0.89783%0.833SS**  cis96.3118.916.500000110.7
488G29.5Very low33.2Very low78 Ų78112.6 Ų112.680%0.80483%0.83SS**  cis174168.5-4.400000112.1
489G30.1Very low33Very low89 Ų89117 Ų11792%0.91883%0.83SS**  trans80.5156.7-177.800000114.1
490G31.1Very low32.8Very low85 Ų85116.7 Ų116.788%0.87683%0.826SS**  cis-179.4161.8-6.100000109.7
491G30.7Very low32.5Very low76 Ų76110.6 Ų110.678%0.78482%0.818SS**  cis-173.4-175.7-1.800000113.7
492H34Very low32.5Very low159 Ų159114.1 Ų114.174%0.73683%0.825SS**  trans-19143.2172.8-66110.4000120.9V494H492-V494 HydrophobicContact CB-CG2 4.2Å
493W27.8Very low32.2Very low263 Ų263113.3 Ų113.3100%0.99682%0.82SS**  -129.5162.1117.1-84.296.4000110
494V32.1Very low32.1Very low107 Ų107114.6 Ų114.665%0.64882%0.823SS**  trans-135.1138.2-156.9175.10000113.7H492H492-V494 HydrophobicContact CB-CG2 4.2Å
495S30.2Very low32.1Very low129 Ų129114.8 Ų114.890%0.90283%0.825SS**  trans-173.2138.2146.5-78.50000110.2
496G31.5Very low30.5Very low73 Ų73111.9 Ų111.975%0.75382%0.821SS**  cis170.2108.3-11.700000113.8
497G32.6Very low30.6Very low69 Ų69117.1 Ų117.171%0.71183%0.83SS**  trans75.3166.1164.300000118.4
498M35.4Very low30.6Very low164 Ų164117 Ų11781%0.80883%0.828SS**  cis-167127.8-14-135.994.8157.800111
499F31.2Very low30.5Very low200 Ų200116.4 Ų116.488%0.87782%0.822SS**  trans49.9152.3164.7-60.7-74.9000120.9
500G29.9Very low30.3Very low69 Ų69122.7 Ų122.771%0.71182%0.824SS**  cis-138.4-179.1-7.600000109.8
501G30.1Very low30.1Very low76 Ų76122 Ų12278%0.78482%0.817SS**  cis91.4120.633.500000109.1
502V30.9Very low29.9Very low148 Ų148124.4 Ų124.490%0.89782%0.821SS**  cis-139.717318.5-177.60000111.4
503V30Very low29.5Very low138 Ų138120.7 Ų120.784%0.83683%0.827SS**  trans-93.8174.4-167.1-155.80000113.3
504A29.6Very low29.6Very low102 Ų102113 Ų11384%0.84382%0.819SS**  trans85.8144.9167.900000116.8
505G27.8Very low29.4Very low82 Ų82115.3 Ų115.385%0.84583%0.827SS**  cis142.4123.9-4.900000112.2
506G27.9Very low29.7Very low79 Ų79114.9 Ų114.981%0.81482%0.822SS**  trans-169.8152.8-17800000113.6
507L31.6Very low29.6Very low187 Ų187117.7 Ų117.798%0.97983%0.825SS**  trans-125.1153-176.8-74.9165.6000111.1
508G28.1Very low29.2Very low84 Ų84118.3 Ų118.387%0.86683%0.831SS**  trans95.9159.7173.400000115
509G27.7Very low28.8Very low65 Ų65118.7 Ų118.767%0.6784%0.835SS**  cis157.5123.3-10.600000114.9
510F27.3Very low28.5Very low222 Ų222114.8 Ų114.897%0.97483%0.832SS**  trans69.3158.5166.9-61.9-83.3000119.9
511G25.3Very low28.4Very low69 Ų69117.9 Ų117.971%0.71184%0.838SS**  trans93.7115.5-179.800000113.6
512S27.8Very low29.3Very low127 Ų127119.6 Ų119.689%0.88884%0.835SS**  cis91.4115.516.7-49.40000117.1
513G25.3Very low29.4Very low82 Ų82117.8 Ų117.885%0.84583%0.826SS**  trans92.6152174.500000114.8
514A28.7Very low29.2Very low100 Ų100116.4 Ų116.483%0.82682%0.823SS**  cis-163.8158.9-16.400000109.7
515D28.1Very low29.1Very low156 Ų156116.6 Ų116.683%0.83482%0.824SS**  trans-68160.9167.7-71.5-58.1000111.7
516P37.2Very low29Very low121 Ų121117.4 Ų117.479%0.78682%0.817SS**  -138.9139.1102.135.6-22.8000116.4
517T29Very low29.2Very low132 Ų132119 Ų11981%0.8181%0.813SS**  trans-22.9142.9160.454.30000119.5
518G25Very low28.8Very low81 Ų81119.5 Ų119.584%0.83580%0.803SS**  trans-149.8119.1156.600000111.8
519L27.1Very low29Very low172 Ų172120.8 Ų120.890%0.90180%0.796SS**  trans-105.4138.9-174.7-77.1162000112.4
520S24.3Very low28.9Very low118 Ų118123.8 Ų123.883%0.82580%0.804SS**  trans-161.9125.8155.847.60000113.1
521V28.1Very low29.2Very low135 Ų135120.5 Ų120.582%0.81880%0.796SS**  trans-163.5144.8-173.5166.90000107.7
522P48.8Very low29.7Very low111 Ų111125 Ų12572%0.72180%0.798SS**  cis-119.2-147.4-26.431.6-8.1000110.1
523P32.6Very low30Very low111 Ų111128.1 Ų128.172%0.72179%0.79SS**  -143.616472.938.7-20.3000117.6
524S26.7Very low31Very low109 Ų109129.6 Ų129.676%0.76277%0.77SS**  trans48.3107.5151.857.30000121.8
525A27.1Very low31.4Very low105 Ų105128.6 Ų128.687%0.86875%0.751SS**  trans-32.4155155.400000119.2
526S25.5Very low32.5Very low100 Ų100129.1 Ų129.170%0.69974%0.741SS**  trans-134.2134.4153.6-1750000109.6Y528S526-Y528 PolarHBondContact O-N 3.31Å
527P31.1Very low33.6Very low113 Ų113126.2 Ų126.273%0.73472%0.717SS**  trans-99.456.3-159.839.9-38.5000115
528Y25.2Very low35.1Very low196 Ų196120.5 Ų120.577%0.76968%0.683SS**  trans-131.8133.2174.1-67.1-81.7000112.1S526 P530S526-Y528 PolarHBondContact O-N 3.31Å; Y528-P530 WeakPolarHBondContact O-CD 3.43Å
529P30.6Very low37.1Very low112 Ų112117.4 Ų117.473%0.72765%0.647SS**PPolyproline II helixtrans-75.5127.9175.430.4-32.5000110.5L531P529-L531 PolarHBondContact O-N 2.9Å
530P27.3Very low38.6Very low128 Ų128110.3 Ų110.383%0.83161%0.612SS**PPolyproline II helixtrans-64.8117.7172.3-21.233.6000110.8Y528Y528-P530 WeakPolarHBondContact O-CD 3.43Å
531L32.4Very low40Very low153 Ų153105.1 Ų105.180%0.80158%0.575SS**PPolyproline II helixtrans-69.3158.5167.4-76.1166000110.5P529P529-L531 PolarHBondContact O-N 2.9Å
532H36.5Very low40.8Very low162 Ų162100.8 Ų100.875%0.7554%0.544SS*.  trans62100.5175.9-68.1-85.6000117.9
533R33.4Very low40.3Very low194 Ų19499 Ų9973%0.73253%0.526SS*.  trans-150.155.5139.8-151.1-178.5-156.5-175.310.5113D535R533-D535 WeakPolarHBondContact CA-OD2 3.49Å; R533-D535 PolarHBondContact O-N 2.84Å
534R46.3Very low40.2Very low113 Ų11396.4 Ų96.443%0.42651%0.509SS..  trans-70.2-12.9174.5-76.9-167.1-178.7-173.83113.2E277 R536 Q537E277-R534 IonicContact OE2-NH1 2.75Å; E277-R534 PolarHBondContact OE2-NH1 3.07Å; R534-R536 PolarHBondContact O-N 3.18Å; R534-Q537 PolarHBondContact O-N 2.96Å
535D37.6Very low40.4Very low79 Ų7994.2 Ų94.242%0.42250%0.504SS..THydrogen-bonded Turntrans-69.910.3-158.1-39.8-72.5000116.2N273 R533N273-D535 PolarHBondContact ND2-OD1 3.31Å; R533-D535 WeakPolarHBondContact CA-OD2 3.49Å; R533-D535 PolarHBondContact O-N 2.84Å
536R52.1Low40.3Very low167 Ų16793.1 Ų93.163%0.6350%0.495SS*.THydrogen-bonded Turntrans-142.73.5178.2-62.9-170.7179.2-164.8-3.6114R534R534-R536 PolarHBondContact O-N 3.18Å
537Q58.8Low40.3Very low60 Ų6092.5 Ų92.528%0.2850%0.496SS..SBendtrans-76.1162.8174.5-67.4175.7-72.800110.3D192 G194 R534D192-Q537 PolarHBondContact OD2-NE2 3.47Å; G194-Q537 PolarHBondContact O-NE2 3.03Å; R534-Q537 PolarHBondContact O-N 2.96Å
538A61Low40.1Very low11 Ų1193.1 Ų93.19%0.09150%0.5CS..  trans-75.6165165.900000109.8Q223 Y224 S540Q223-A538 HydrophobicContact CG-CB 3.58Å; Q223-A538 VanDerWaalsContact O-CB 3.31Å; Q223-A538 WeakPolarHBondContact O-CB 3.47Å; Y224-A538 HydrophobicContact CD1-CB 4.07Å; Y224-A538 HydrophobicContact CE1-CB 3.77Å; A538-S540 PolarHBondContact O-N 2.58Å
539I67.8Low40.1Very low17 Ų1786.4 Ų86.49%0.08749%0.49CS..  trans-69.8115177.8-53.7170.5000108.6L226 T227 F276 E277 A280 A351 M541L226-I539 HydrophobicContact CD1-CB 4.44Å; L226-I539 HydrophobicContact CD1-CG2 3.69Å; L226-I539 HydrophobicContact CD2-CD1 4.28Å; T227-I539 HydrophobicContact CG2-CD1 4.23Å; F276-I539 HydrophobicContact CD1-CD1 4.49Å; F276-I539 HydrophobicContact CE1-CD1 3.62Å; F276-I539 HydrophobicContact CE1-CG1 4.25Å; F276-I539 HydrophobicContact CZ-CD1 4.14Å; E277-I539 HydrophobicContact CB-CG2 4.28Å; E277-I539 HydrophobicContact CG-CG2 4.04Å; A280-I539 HydrophobicContact CB-CD1 4.07Å; A280-I539 HydrophobicContact CB-CG2 4.35Å; A351-I539 HydrophobicContact CB-CD1 3.72Å; A351-I539 HydrophobicContact CB-CG1 4.5Å; I539-M541 PolarHBondContact O-N 3.05Å
540S57.8Low39.8Very low23 Ų2387.6 Ų87.616%0.16150%0.498CS..  trans-59.8130169.2178.90000109.7A538 Y542A538-S540 PolarHBondContact O-N 2.58Å; S540-Y542 PolarHBondContact O-N 2.75Å; S540-Y542 PolarHBondContact OG-N 3.45Å; S540-Y542 PolarHBondContact OG-O 3.08Å
541M54.3Low39.7Very low8 Ų887.8 Ų87.84%0.03950%0.497CS..SBendtrans-67.7-13.6175.7-105.5-53.8-5700113.8E225 L226 Y284 I539E225-M541 HydrophobicContact CB-CG 4.18Å; E225-M541 HydrophobicContact CG-CG 4.35Å; L226-M541 HydrophobicContact CB-CG 3.81Å; L226-M541 HydrophobicContact CB-SD 3.45Å; L226-M541 WeakPolarHBondContact CB-SD 3.14Å; L226-M541 HydrophobicContact CD1-SD 3.69Å; L226-M541 HydrophobicContact CG-SD 3.66Å; Y284-M541 HydrophobicContact CD1-CE 3.34Å; Y284-M541 HydrophobicContact CD1-SD 3.96Å; Y284-M541 HydrophobicContact CD2-CE 3.9Å; Y284-M541 HydrophobicContact CD2-SD 3.39Å; Y284-M541 WeakPolarHBondContact CD2-SD 3.07Å; Y284-M541 HydrophobicContact CE1-CE 3.15Å; Y284-M541 HydrophobicContact CE1-SD 4.03Å; Y284-M541 HydrophobicContact CE2-CE 3.68Å; Y284-M541 HydrophobicContact CE2-SD 3.4Å; Y284-M541 WeakPolarHBondContact CE2-SD 3.25Å; Y284-M541 HydrophobicContact CG-CE 3.72Å; Y284-M541 HydrophobicContact CG-SD 3.65Å; I539-M541 PolarHBondContact O-N 3.05Å
542Y44.1Very low39.6Very low44 Ų4485.1 Ų85.117%0.17350%0.497CS..SBendtrans-138.1140.5-168.4-54.4-93000110.5I47 V187 V188 S540 P544I47-Y542 HydrophobicContact CD1-CE1 4.23Å; V187-Y542 HydrophobicContact CG1-CE2 3.83Å; V187-Y542 WeakPolarHBondContact O-CD2 3.41Å; V187-Y542 WeakPolarHBondContact O-CE2 3.45Å; V188-Y542 WeakPolarHBondContact O-CE1 3.24Å; S540-Y542 PolarHBondContact O-N 2.75Å; S540-Y542 PolarHBondContact OG-N 3.45Å; S540-Y542 PolarHBondContact OG-O 3.08Å; Y542-P544 WeakPolarHBondContact O-CD 3.46Å
543E37.5Very low39.1Very low75 Ų7586.1 Ų86.135%0.3550%0.502SS..  trans-67.1125.2178.3-72.5-179.4159.900111.2M281 Y321 R325 G545M281-E543 HydrophobicContact CE-CG 3.58Å; M281-E543 HydrophobicContact SD-CG 4.05Å; Y321-E543 WeakPolarHBondContact CE1-OE2 3.36Å; Y321-E543 VanDerWaalsContact OH-CD 3.28Å; Y321-E543 PolarHBondContact OH-OE1 3.18Å; Y321-E543 PolarHBondContact OH-OE2 3.26Å; R325-E543 IonicContact CZ-OE1 3.21Å; R325-E543 VanDerWaalsContact CZ-OE1 3.24Å; R325-E543 IonicContact NH1-OE1 2.79Å; R325-E543 PolarHBondContact NH1-OE1 2.86Å; R325-E543 IonicContact NH2-OE1 2.81Å; R325-E543 PolarHBondContact NH2-OE1 3.27Å; E543-G545 PolarHBondContact O-N 3.42Å
544P31.3Very low38.8Very low55 Ų5580.3 Ų80.336%0.35750%0.502SS..  trans-67.9114.6159.8-9.426000107.4Y542 A546Y542-P544 WeakPolarHBondContact O-CD 3.46Å; P544-A546 PolarHBondContact O-N 3.19Å
545G30.8Very low37.9Very low63 Ų6380.6 Ų80.665%0.64952%0.519SS*.  trans-51.3110.9175.800000110.7E543 A547E543-G545 PolarHBondContact O-N 3.42Å; G545-A547 PolarHBondContact O-N 3.18Å
546A24.9Very low37.5Very low83 Ų8383.1 Ų83.169%0.68654%0.539SS*.  trans-86.4100.6-166.100000110.9P544P544-A546 PolarHBondContact O-N 3.19Å
547A25.8Very low36.3Very low86 Ų8679.8 Ų79.871%0.71155%0.547SS*.PPolyproline II helixtrans-60.8130.9163.400000109.3G545G545-A547 PolarHBondContact O-N 3.18Å
548P26.8Very low34.9Very low127 Ų12785.7 Ų85.783%0.82558%0.58SS**PPolyproline II helixtrans-63.4138.117526-33.1000110.6
549G24.2Very low33.2Very low55 Ų5592.6 Ų92.657%0.56762%0.615SS**PPolyproline II helixtrans-71.4155.2171.500000111.5T551G549-T551 PolarHBondContact O-N 3.44Å; G549-T551 VanDerWaalsContact O-N 3.08Å
550P26.2Very low31.3Very low137 Ų13796.5 Ų96.589%0.8964%0.644SS**  trans-74.2100.6-176.330-34.7000111.8A552P550-A552 PolarHBondContact O-N 3.41Å
551T25.2Very low29.8Very low132 Ų132104.2 Ų104.281%0.8168%0.682SS**  trans-79.7108.7164.337.50000109.9G549 H553G549-T551 PolarHBondContact O-N 3.44Å; G549-T551 VanDerWaalsContact O-N 3.08Å; T551-H553 PolarHBondContact O-N 3Å; T551-H553 VanDerWaalsContact O-N 3.08Å
552A29Very low28.4Very low97 Ų97108.5 Ų108.580%0.80272%0.719SS**  trans-82.882.6-17600000112.5P550P550-A552 PolarHBondContact O-N 3.41Å
553H26Very low27.6Very low183 Ų183110.6 Ų110.685%0.84775%0.746SS**  trans-127109161-69.4-72.1000109.4T551T551-H553 PolarHBondContact O-N 3Å; T551-H553 VanDerWaalsContact O-N 3.08Å
554G26.5Very low27.1Very low71 Ų71117.9 Ų117.973%0.73277%0.77SS**PPolyproline II helixtrans-79.3145.5176.100000111.6
555P28Very low26.8Very low120 Ų120123 Ų12378%0.77979%0.794SS**PPolyproline II helixtrans-69150.7171.330.8-34.8000110.8
556P29.2Very low26.7Very low131 Ų131127.1 Ų127.185%0.85180%0.796SS**PPolyproline II helixtrans-69.9147.6177.430.3-35.1000111.5
557A27.4Very low27Very low98 Ų98129.4 Ų129.481%0.8180%0.804SS**PPolyproline II helixtrans-93.6133173.300000111.1
558L29Very low26.9Very low183 Ų183131.1 Ų131.196%0.95880%0.8SS**  trans-136.8154.5158.4-86.2177.4000109.2
559D25.9Very low26.8Very low157 Ų157132.9 Ų132.984%0.8480%0.803SS**  trans-107-176.1-150.4-145.6-28.6000114.8
560S27.9Very low26.9Very low98 Ų98135.6 Ų135.669%0.68581%0.809SS**  trans-79.7150.3-159.7-50.10000115
561L25.1Very low27.2Very low185 Ų185134.8 Ų134.897%0.96980%0.803SS**  trans-133.4147.2153.2-89.9173.5000110.5
562A25.6Very low27.3Very low99 Ų99133.1 Ų133.182%0.81880%0.797SS**  trans-138.1142.9-160.300000115.4
563A28Very low27.2Very low88 Ų88133.9 Ų133.973%0.72779%0.791SS**  trans-149.2123165.600000107.9
564R27.2Very low27.2Very low228 Ų228136 Ų13686%0.8679%0.792SS**  67.1124.177.2-72.8-179.1-175.5-1232.4111.7
565L25.2Very low27.2Very low162 Ų162141.7 Ų141.785%0.84880%0.796SS**  cis-144.8171.516.4-88.5131.7000113.2
566Q28.2Very low27.2Very low149 Ų149139.8 Ų139.870%0.69680%0.799SS**  trans-88.5179.1166.7-61.4-174-24.100111.7
567P31.3Very low27.1Very low131 Ų131137.1 Ų137.185%0.85180%0.795SS**  -133.6165.187.929.2-12.9000115
568L23Very low27.1Very low122 Ų122139.2 Ų139.264%0.63980%0.797SS**  trans-86.5159.5-178.9-50.895000112.4
569N25.6Very low27.1Very low165 Ų165136.2 Ų136.288%0.88279%0.792SS**  -161.5149.1107.5-100.8-30000114
570T26.6Very low27.1Very low112 Ų112134.1 Ų134.169%0.68779%0.79SS**  trans-121.1162.6170.672.70000107.7
571P32.2Very low27.9Very low120 Ų120135.1 Ų135.178%0.77979%0.793SS**  -123.5151.264.95.718.5000112.2
572S26.3Very low28Very low97 Ų97129.7 Ų129.768%0.67878%0.782SS**  cis75.9119.933.4-163.20000115
573V27.5Very low28.1Very low112 Ų112131 Ų13168%0.67978%0.775SS**  trans146.9107134.2167.50000113.3
574R26Very low28Very low227 Ų227136.8 Ų136.886%0.85778%0.779SS**  trans66.8154.4146-73.7176.7-168.3-172.82.6119.6
575K26.5Very low28Very low191 Ų191129.3 Ų129.383%0.8377%0.773SS**  cis-163146.9-22.3-135.4-177.2179.6-170.20109.7
576G26.8Very low28.1Very low81 Ų81127.8 Ų127.884%0.83577%0.77SS**  trans75.5164.2163.700000115.6
577G27Very low28.1Very low74 Ų74129 Ų12976%0.76378%0.775SS**  cis160.7111.4-8.200000113.6
578V28.2Very low27.8Very low142 Ų142130.7 Ų130.786%0.86177%0.772SS**  trans38.3107.1158.3-170.60000117.8
579S28.6Very low28Very low120 Ų120130.4 Ų130.484%0.83978%0.775SS**  -170.1133129.9-81.50000112.2
580S26.2Very low28Very low114 Ų114128.3 Ų128.380%0.79777%0.773SS**  trans-96.1-171.2162.1-36.30000108.6
581P45.4Very low27.9Very low118 Ų118126.5 Ų126.577%0.76678%0.777SS**  cis-134.4152-16.235.5-17.9000115.3
582G27.1Very low27.7Very low71 Ų71126.7 Ų126.773%0.73278%0.781SS**  trans74.6-178.8152.200000118.4
583L26.7Very low27.9Very low126 Ų126128.8 Ų128.866%0.6679%0.79SS**  cis-168.7166.8-8.4-108.6152.8000109.7
584Y26.7Very low27.9Very low211 Ų211131.2 Ų131.283%0.82779%0.794SS**  trans67.4151165.5-22.1-78.8000120.6
585G26.3Very low27.9Very low70 Ų70128 Ų12872%0.72279%0.791SS**  trans9490.5162.700000116.3
586V27.4Very low27.9Very low130 Ų130122 Ų12279%0.78878%0.783SS**  cis86.7135.746.8178.40000114
587Q27.7Very low28Very low174 Ų174127.6 Ų127.681%0.81378%0.779SS**  trans75.4147.6173.9-76.8163.90.300118.8
588H25.9Very low28Very low167 Ų167132 Ų13277%0.77377%0.773SS**  cis-172.2166-32.1-131.6-94.5000111
589V27.1Very low27.9Very low117 Ų117133.4 Ų133.471%0.70977%0.772SS**  trans73.2104.9158.1-179.50000120.9
590S26.2Very low27.8Very low121 Ų121134.1 Ų134.185%0.84677%0.771SS**  47.4143.5122.2-43.20000125.7
591G24.6Very low27.7Very low74 Ų74134.4 Ų134.476%0.76377%0.774SS**  trans122.3102.5163.900000112.2
592S27.3Very low26.8Very low123 Ų123138.1 Ų138.186%0.8678%0.778SS**  cis81.1100.732.6-161.90000115.3
593T31Very low27.6Very low141 Ų141139.6 Ų139.687%0.86577%0.774SS**  trans-157152156.7-42.30000109.8
594E27.7Very low27.5Very low164 Ų164140.6 Ų140.677%0.76678%0.776SS**  trans-77-176.7176.1-59.6167.696.900111.2
595M25.9Very low27.7Very low160 Ų160137.6 Ų137.679%0.78877%0.767SS**  cis-177.5138.842.8-177.558118.700114.3
596G26.4Very low27.7Very low64 Ų64143 Ų14366%0.6677%0.773SS**  trans78.4169.8158.300000118.5
597R28.1Very low27.6Very low199 Ų199140 Ų14075%0.75177%0.769SS**  cis-169.2144.3-3.4-127.7171.4179.4-158.72.5111.7
598Y27.4Very low27.7Very low167 Ų167138 Ų13866%0.65577%0.773SS**  trans66.5155.2163.8-52.9-52.4000117.8
599M27.2Very low27.7Very low170 Ų170133.3 Ų133.384%0.83777%0.77SS**  cis-149.7176-8.5-127.9175.5-162.100112
600V25.6Very low27.8Very low135 Ų135134.1 Ų134.182%0.81878%0.776SS**  trans-109.8148-176.7167.90000111.5
601S24.2Very low27.8Very low121 Ų121136 Ų13685%0.84678%0.776SS**  trans-161.6156151.2-105.20000115
602K25.7Very low28.3Very low196 Ų196137 Ų13785%0.85277%0.771SS**  trans-160.3179.4180-123.8-176.4179.8-178.70105.7
603P45.5Very low28.5Very low102 Ų102137.3 Ų137.366%0.66276%0.763SS**  cis-134.9-156.9-13.825.12.6000112.5
604E24.8Very low28.3Very low147 Ų147140.8 Ų140.869%0.68776%0.762SS**  trans76.6154.6156-54.4-144.3139.400119.2
605K29.4Very low28.4Very low148 Ų148139.5 Ų139.564%0.64376%0.761SS**  cis-163.2153.6-13.3-111.1177.8-177.6139.40111.5
606H26.5Very low28.7Very low184 Ų184137.1 Ų137.185%0.85275%0.751SS**  trans23.4146.8153.2-61.890.8000125.8
607G25.2Very low29Very low67 Ų67138.6 Ų138.669%0.69175%0.748SS**  trans117116.715600000113.4
608S29.9Very low29.1Very low130 Ų130136.4 Ų136.491%0.90975%0.745SS**  cis91.2114.539.575.20000114.9
609G26.3Very low29.2Very low69 Ų69133.9 Ų133.971%0.71174%0.743SS**  trans134.5118.6155.200000118.7
610T29.6Very low29.3Very low134 Ų134132.7 Ų132.782%0.82274%0.735SS**  trans61.6133.9135.1550000124.6
611D24.8Very low29.4Very low161 Ų161132.6 Ų132.686%0.86173%0.73SS**  trans85.2155.2142.7-72.1-10.4000123.7
612S36.6Very low29.6Very low94 Ų94134.8 Ų134.866%0.65773%0.726SS**  trans-113.6-178.7-163.349.80000112.9
613D30.2Very low29.6Very low130 Ų130129.9 Ų129.970%0.69572%0.717SS**  173.6172.6116.2-86.5-0.7000113.1
614Y27.9Very low28.8Very low215 Ų215133 Ų13384%0.84373%0.727SS**  trans70.697.5178.8-61.4-78.1000115.7
615D29.3Very low28.8Very low137 Ų137129.2 Ų129.273%0.73373%0.727SS**  cis81.4151.416-164.840.4000117.8
616N31.7Very low28.8Very low110 Ų110133.6 Ų133.659%0.58874%0.739SS**  trans83.7136.6174.3-73.7-78.5000119.2
617T33.5Very low28.8Very low95 Ų95129 Ų12958%0.58373%0.728SS**  cis-171-174.6-23.3110000106.1
618H30.2Very low29.1Very low152 Ų152130.3 Ų130.370%0.70473%0.726SS**  cis-169.3168.3-2.2-108.9-32.1000105.2
619D29.1Very low29.1Very low114 Ų114131.9 Ų131.961%0.6172%0.719SS**  cis-173.6-173.8-33.8-137.5-67.7000111.8
620H28.7Very low29.3Very low145 Ų145137 Ų13767%0.67173%0.725SS**  trans73.595.5144.8-76.115.9000122.6
621L27.4Very low29.4Very low134 Ų134139.3 Ų139.370%0.70273%0.726SS**  78.8127.3113.7-73.7163.1000124.5
622Q28.8Very low29.6Very low166 Ų166134.4 Ų134.478%0.77671%0.713SS**  trans91.2113.9134.1-85.8171.91.600124.5
623S26.8Very low29.4Very low94 Ų94140.7 Ų140.766%0.65772%0.723SS**  70.7120.9129.3-72.90000124.8
624I29Very low29.3Very low168 Ų168137.9 Ų137.986%0.86273%0.725SS**  trans63.4121.6130.9-56.3167.8000119.7
625G24.3Very low29.4Very low67 Ų67136 Ų13669%0.69172%0.723SS**  129.9100.6126.600000121.7
626R28.7Very low29.5Very low239 Ų239135 Ų13590%0.90273%0.727SS**  trans53.8117131.8-105.8-172.2179.2-147.9-1.6124
627S26.9Very low29.6Very low88 Ų88138.9 Ų138.962%0.61574%0.742SS**  70135.4121.862.60000125.1
628S31.3Very low29.6Very low94 Ų94143.6 Ų143.666%0.65776%0.757SS**  trans79.3152.3141.9-66.60000119.4
629E30.8Very low29.5Very low164 Ų164140.3 Ų140.377%0.76677%0.765SS**  cis-159.2-176.22.6-138.3124-110.200113.6
630E29.5Very low29.5Very low176 Ų176139.1 Ų139.182%0.82278%0.779SS**  trans68.3128.2163.1-71.2-178.2163.900119.1
631E32.1Very low29.4Very low182 Ų182136.4 Ų136.485%0.8579%0.79SS**  cis98.5139.848.7-81.8-114.6153.300112.8
632G29.8Very low29.4Very low58 Ų58133.5 Ų133.560%0.59879%0.793SS**  cis174173.2-500000113.9
633R31.1Very low29.5Very low227 Ų227133.6 Ų133.686%0.85780%0.798SS**  trans67.2146.1171.3-55.7174.2179-118.4-2.9117.3
634G28.9Very low30Very low71 Ų71133.3 Ų133.373%0.73280%0.802SS**  cis176.9-170.72.600000109.7
635E29.3Very low30.2Very low174 Ų174128.5 Ų128.581%0.81379%0.794SS**  cis-140.1-116.4-1.9-63.7-167.1140.100111.5
636S31.8Very low30.8Very low117 Ų117134.5 Ų134.582%0.81880%0.804SS**  trans-142.2150.8-161.8-50.10000117.7
637E34.6Very low31.3Very low191 Ų191128.8 Ų128.889%0.89380%0.798SS**  179.1177.9116.2-102.2-176.3-17900115.4
638E33.7Very low31.9Very low195 Ų195131 Ų13191%0.91180%0.803SS**  trans-66160.2-154.1-51.1-176.3127.800120
639G27.5Very low33Very low83 Ų83131.9 Ų131.986%0.85681%0.806SS**  trans151.3101.9141.700000119
640G27.9Very low34.6Very low89 Ų89127.7 Ų127.792%0.91879%0.792SS**  trans107.3132.4161.400000115.7
641G28.1Very low36.2Very low87 Ų87121.5 Ų121.590%0.89776%0.764SS**  trans-105.9158.1-175.700000114.6
642G27.6Very low38.2Very low73 Ų73113.9 Ų113.975%0.75373%0.731SS**  trans170.898.4176.700000108.8
643D29.6Very low40.5Very low168 Ų168113.7 Ų113.790%0.89872%0.719SS**  trans-65.1140.7-171.5-172.826000112.4
644A38.7Very low42.8Very low88 Ų88103.7 Ų103.773%0.72768%0.684SS**  trans-125.770.6-17200000110.5E646A644-E646 PolarHBondContact O-N 2.92Å
645G31.6Very low45.3Very low68 Ų68106.8 Ų106.870%0.70168%0.679SS**  trans-74101.5174.400000112.6
646E36.6Very low47.9Very low192 Ų192102.2 Ų102.290%0.89766%0.66SS**PPolyproline II helixtrans-72.5137.3162.1-73.6-160137.500111A644A644-E646 PolarHBondContact O-N 2.92Å
647P39.7Very low50.5Low119 Ų11996.6 Ų96.677%0.77362%0.621SS**PPolyproline II helixtrans-88.8134.9172.433.4-32.2000112.7
648D40.1Very low53Low135 Ų13590.5 Ų90.572%0.72259%0.594SS**PPolyproline II helixtrans-71123.8178.3-179.625.5000112.8T650D648-T650 PolarHBondContact O-N 3.38Å
649P55.2Low55.7Low113 Ų11385.7 Ų85.773%0.73457%0.574SS**  trans-97.688.3-173.736.4-33.5000113.5
650T62.4Low58.6Low76 Ų7684.7 Ų84.747%0.46655%0.546SS..  trans-85.2-14.1-177.1490000115.9D648D648-T650 PolarHBondContact O-N 3.38Å
651L63.1Low61.7Low45 Ų4581.3 Ų81.324%0.23651%0.507CS..SBendtrans-139.1150.2175.7-76.6-177000113.2F701 V710 T768 E771L651-F701 HydrophobicContact CD2-CD1 4.3Å; L651-F701 HydrophobicContact CD2-CE1 4.33Å; L651-V710 HydrophobicContact CD2-CG2 4.38Å; L651-T768 HydrophobicContact CD1-CG2 4.44Å; L651-E771 HydrophobicContact CD1-CB 4.09Å; L651-E771 HydrophobicContact CD1-CG 4.45Å; L651-E771 WeakPolarHBondContact CD1-OE2 3.3Å
652P75.9Confident64.7Low23 Ų2382.7 Ų82.715%0.14949%0.491CS..  trans-66.5160.2171.326.8-34.1000113T654 V657 L700 F701P652-T654 PolarHBondContact O-N 3.03Å; P652-V657 HydrophobicContact CB-CG2 4.12Å; P652-V657 HydrophobicContact CG-CG2 3.67Å; P652-L700 HydrophobicContact CB-CB 3.93Å; P652-L700 WeakPolarHBondContact CB-O 3.3Å; P652-L700 HydrophobicContact CG-CB 4.09Å; P652-L700 WeakPolarHBondContact CG-O 3.44Å; P652-F701 HydrophobicContact CG-CD1 3.79Å; P652-F701 HydrophobicContact CG-CD2 4.36Å; P652-F701 HydrophobicContact CG-CE1 3.71Å; P652-F701 HydrophobicContact CG-CE2 4.29Å; P652-F701 HydrophobicContact CG-CG 4.14Å; P652-F701 HydrophobicContact CG-CZ 3.98Å
653C77.8Confident67.7Low53 Ų5382.4 Ų82.436%0.35847%0.47SS..  trans-59.5130.7175-172.80000111.2E655 D656 V657C653-E655 PolarHBondContact O-N 2.83Å; C653-D656 WeakPolarHBondContact CB-OD2 3.4Å; C653-D656 PolarHBondContact O-N 3.24Å; C653-D656 VanDerWaalsContact O-N 3.15Å; C653-V657 PolarHBondContact O-N 3.45Å
654T79.1Confident70.7Confident17 Ų1774.4 Ų74.410%0.10443%0.427CS..Hα-helixtrans-54.3-25.9176.4-39.20000113.6P652 V657 I658 T768 T769 K772P652-T654 PolarHBondContact O-N 3.03Å; T654-V657 WeakPolarHBondContact O-CA 3.31Å; T654-I658 HydrophobicContact CG2-CD1 4.24Å; T654-I658 WeakPolarHBondContact O-CD1 3.22Å; T654-I658 VanDerWaalsContact O-CG1 3.25Å; T654-I658 WeakPolarHBondContact O-CG1 3.44Å; T654-I658 PolarHBondContact O-N 2.83Å; T654-T768 WeakPolarHBondContact CG2-O 3.28Å; T654-T768 PolarHBondContact OG1-O 3.01Å; T654-T769 HydrophobicContact CG2-CG2 3.34Å; T654-K772 WeakPolarHBondContact OG1-CD 3.45Å
655E81.1Confident73.4Confident136 Ų13672.3 Ų72.364%0.63641%0.405SS*.Hα-helixtrans-73.7-46.3178.8-165.7164.6-177.800111.5C653 V657 I658 L659C653-E655 PolarHBondContact O-N 2.83Å; E655-V657 VanDerWaalsContact C-N 3.34Å; E655-V657 PolarHBondContact O-N 3.13Å; E655-I658 PolarHBondContact O-N 2.86Å; E655-I658 VanDerWaalsContact O-N 3.1Å; E655-L659 HydrophobicContact CG-CD1 4.35Å; E655-L659 WeakPolarHBondContact O-CG 3.38Å; E655-L659 PolarHBondContact O-N 2.84Å
656D83.6Confident76.4Confident78 Ų7874.4 Ų74.442%0.41740%0.395SS..Hα-helixtrans-61.8-44.2171.5-60.7-55.7000111.4C653 I658 L659 K660 L700C653-D656 WeakPolarHBondContact CB-OD2 3.4Å; C653-D656 PolarHBondContact O-N 3.24Å; C653-D656 VanDerWaalsContact O-N 3.15Å; D656-I658 PolarHBondContact O-N 3.02Å; D656-L659 PolarHBondContact O-N 2.86Å; D656-K660 PolarHBondContact O-N 2.87Å; D656-L700 HydrophobicContact CB-CD1 3.88Å; D656-L700 HydrophobicContact CB-CD2 4.33Å
657V87.2Confident79.1Confident0 Ų065.9 Ų65.90%036%0.356CS..Hα-helixtrans-14.7-75148.9-144.40000116.5P652 C653 T654 E655 T661 M697 L700 F701 L764 V765P652-V657 HydrophobicContact CB-CG2 4.12Å; P652-V657 HydrophobicContact CG-CG2 3.67Å; C653-V657 PolarHBondContact O-N 3.45Å; T654-V657 WeakPolarHBondContact O-CA 3.31Å; E655-V657 VanDerWaalsContact C-N 3.34Å; E655-V657 PolarHBondContact O-N 3.13Å; V657-T661 WeakPolarHBondContact O-CB 3.47Å; V657-T661 PolarHBondContact O-N 3.4Å; V657-T661 PolarHBondContact O-OG1 2.83Å; V657-M697 HydrophobicContact CG1-CE 3.79Å; V657-L700 HydrophobicContact CG2-CD1 3.79Å; V657-F701 HydrophobicContact CG1-CE2 4.47Å; V657-F701 HydrophobicContact CG1-CZ 4.08Å; V657-F701 HydrophobicContact CG2-CE2 3.97Å; V657-F701 HydrophobicContact CG2-CZ 3.73Å; V657-L764 HydrophobicContact CG1-CB 4.47Å; V657-V765 HydrophobicContact CG1-CG2 4.2Å
658I87.5Confident81.7Confident62 Ų6260.7 Ų60.732%0.31832%0.321SS..Hα-helixtrans-70.9-47.7-175.5-70.9162.1000110.2T654 E655 D656 K660 T661 E662 V765T654-I658 HydrophobicContact CG2-CD1 4.24Å; T654-I658 WeakPolarHBondContact O-CD1 3.22Å; T654-I658 VanDerWaalsContact O-CG1 3.25Å; T654-I658 WeakPolarHBondContact O-CG1 3.44Å; T654-I658 PolarHBondContact O-N 2.83Å; E655-I658 PolarHBondContact O-N 2.86Å; E655-I658 VanDerWaalsContact O-N 3.1Å; D656-I658 PolarHBondContact O-N 3.02Å; I658-K660 PolarHBondContact O-N 2.98Å; I658-T661 CarbonylContact O-C 3.57Å; I658-T661 WeakPolarHBondContact O-CA 3.48Å; I658-T661 VanDerWaalsContact O-CB 3.3Å; I658-T661 WeakPolarHBondContact O-CB 3.28Å; I658-T661 PolarHBondContact O-N 3.13Å; I658-E662 HydrophobicContact CG2-CG 4.37Å; I658-E662 WeakPolarHBondContact O-CG 3.39Å; I658-E662 PolarHBondContact O-N 2.89Å; I658-V765 HydrophobicContact CG1-CG1 3.86Å; I658-V765 HydrophobicContact CG1-CG2 4.32Å
659L88.9Confident84.3Confident94 Ų9460.1 Ų60.149%0.49231%0.314SS..Hα-helixtrans-59.9-41.4-178-70.1170.1000112.6E655 D656 E662 Q663E655-L659 HydrophobicContact CG-CD1 4.35Å; E655-L659 WeakPolarHBondContact O-CG 3.38Å; E655-L659 PolarHBondContact O-N 2.84Å; D656-L659 PolarHBondContact O-N 2.86Å; L659-E662 PolarHBondContact O-N 3.42Å; L659-Q663 PolarHBondContact O-N 3.49Å
660K89.8Confident86.2Confident63 Ų6358.1 Ų58.127%0.27430%0.295SS..Hα-helixtrans-70.1-34173.1-67.1-59.6-172.4-178.40112.3D656 I658 Q663 V664 E696 M697 L700D656-K660 PolarHBondContact O-N 2.87Å; I658-K660 PolarHBondContact O-N 2.98Å; K660-Q663 PolarHBondContact O-N 2.88Å; K660-V664 WeakPolarHBondContact O-CG2 3.39Å; K660-V664 PolarHBondContact O-N 2.69Å; K660-E696 HydrophobicContact CD-CB 4.31Å; K660-E696 IonicContact NZ-OE2 2.68Å; K660-E696 PolarHBondContact NZ-OE2 2.73Å; K660-M697 HydrophobicContact CB-CB 3.95Å; K660-M697 HydrophobicContact CB-CG 3.99Å; K660-L700 HydrophobicContact CB-CD1 4.33Å; K660-L700 HydrophobicContact CG-CD1 3.79Å
661T91.6Very high87.6Confident17 Ų1754.5 Ų54.510%0.10427%0.273CS..Hα-helixtrans-64.1-40.1172.5-57.60000111.7V657 I658 V664 T665 M697 A761 V765V657-T661 WeakPolarHBondContact O-CB 3.47Å; V657-T661 PolarHBondContact O-N 3.4Å; V657-T661 PolarHBondContact O-OG1 2.83Å; I658-T661 CarbonylContact O-C 3.57Å; I658-T661 WeakPolarHBondContact O-CA 3.48Å; I658-T661 VanDerWaalsContact O-CB 3.3Å; I658-T661 WeakPolarHBondContact O-CB 3.28Å; I658-T661 PolarHBondContact O-N 3.13Å; T661-V664 PolarHBondContact O-N 3.28Å; T661-T665 WeakPolarHBondContact O-CB 3.43Å; T661-T665 WeakPolarHBondContact O-CG2 3.45Å; T661-T665 PolarHBondContact O-N 3.06Å; T661-T665 PolarHBondContact O-OG1 2.96Å; T661-M697 WeakPolarHBondContact OG1-CE 3.12Å; T661-A761 HydrophobicContact CG2-CB 3.98Å; T661-V765 HydrophobicContact CG2-CG2 3.83Å; T661-V765 WeakPolarHBondContact OG1-CG2 3.42Å
662E91.1Very high89.1Confident117 Ų11755 Ų5555%0.54728%0.275SS..Hα-helixtrans-63.8-41.2173.9-71.3-174.6168.100111.3I658 L659 T665 K666I658-E662 HydrophobicContact CG2-CG 4.37Å; I658-E662 WeakPolarHBondContact O-CG 3.39Å; I658-E662 PolarHBondContact O-N 2.89Å; L659-E662 PolarHBondContact O-N 3.42Å; E662-T665 WeakPolarHBondContact CA-OG1 3.41Å; E662-T665 PolarHBondContact O-N 2.96Å; E662-T665 PolarHBondContact O-OG1 3.16Å; E662-T665 VanDerWaalsContact O-OG1 3.13Å; E662-K666 VanDerWaalsContact O-CB 3.22Å; E662-K666 WeakPolarHBondContact O-CB 3.37Å; E662-K666 PolarHBondContact O-N 3.25Å
663Q92.2Very high90Very high67 Ų6761.1 Ų61.131%0.31330%0.295SS..Hα-helixtrans-67.5-38.2175.6-173.549.781.900112.8L659 K660 N667 A693L659-Q663 PolarHBondContact O-N 3.49Å; K660-Q663 PolarHBondContact O-N 2.88Å; Q663-N667 VanDerWaalsContact NE2-CG 3.31Å; Q663-N667 PolarHBondContact NE2-ND2 2.85Å; Q663-N667 PolarHBondContact NE2-OD1 3.28Å; Q663-N667 VanDerWaalsContact O-CG 3.28Å; Q663-N667 PolarHBondContact O-N 3.21Å; Q663-N667 PolarHBondContact O-ND2 3.11Å; Q663-A693 HydrophobicContact CG-CB 4.33Å
664V92.6Very high90.6Very high0 Ų058.9 Ų58.90%028%0.281CS..Hα-helixtrans-64.2-47.8172.2168.80000111K660 T661 K666 N667 I668 A693 V694 M697 I757K660-V664 WeakPolarHBondContact O-CG2 3.39Å; K660-V664 PolarHBondContact O-N 2.69Å; T661-V664 PolarHBondContact O-N 3.28Å; V664-K666 PolarHBondContact O-N 3.23Å; V664-N667 PolarHBondContact O-N 2.94Å; V664-I668 HydrophobicContact CG1-CD1 3.88Å; V664-I668 WeakPolarHBondContact O-CG1 3.35Å; V664-I668 PolarHBondContact O-N 3.38Å; V664-A693 HydrophobicContact CG2-CB 3.68Å; V664-V694 HydrophobicContact CG1-CG2 4.23Å; V664-V694 HydrophobicContact CG2-CG2 4.04Å; V664-M697 HydrophobicContact CG2-SD 4.34Å; V664-I757 HydrophobicContact CG1-CG2 3.77Å
665T93.6Very high91.1Very high44 Ų4458.3 Ų58.327%0.2728%0.278SS..Hα-helixtrans-69.1-32.8-178.551.70000113.1T661 E662 I668 Q669T661-T665 WeakPolarHBondContact O-CB 3.43Å; T661-T665 WeakPolarHBondContact O-CG2 3.45Å; T661-T665 PolarHBondContact O-N 3.06Å; T661-T665 PolarHBondContact O-OG1 2.96Å; E662-T665 WeakPolarHBondContact CA-OG1 3.41Å; E662-T665 PolarHBondContact O-N 2.96Å; E662-T665 PolarHBondContact O-OG1 3.16Å; E662-T665 VanDerWaalsContact O-OG1 3.13Å; T665-I668 WeakPolarHBondContact O-CB 3.46Å; T665-I668 PolarHBondContact O-N 3Å; T665-Q669 WeakPolarHBondContact O-CG 3.4Å; T665-Q669 PolarHBondContact O-N 3.49Å
666K94.3Very high91.4Very high112 Ų11259 Ų5949%0.48728%0.281SS..Hα-helixtrans-60.7-46.9169.4179.5-178174.2-172.80112E662 V664 I668 Q669 E670E662-K666 VanDerWaalsContact O-CB 3.22Å; E662-K666 WeakPolarHBondContact O-CB 3.37Å; E662-K666 PolarHBondContact O-N 3.25Å; V664-K666 PolarHBondContact O-N 3.23Å; K666-I668 VanDerWaalsContact C-N 3.29Å; K666-I668 PolarHBondContact O-N 3.34Å; K666-Q669 WeakPolarHBondContact O-CB 3.45Å; K666-Q669 PolarHBondContact O-N 2.98Å; K666-Q669 VanDerWaalsContact O-N 3.1Å; K666-E670 PolarHBondContact O-N 3.49Å; K666-E670 VanDerWaalsContact O-N 3.12Å
667N93.4Very high91.7Very high13 Ų1359.7 Ų59.77%0.0728%0.282CS..Hα-helixtrans-65.8-34.1177.9-67.5-14.2000111.6Q663 V664 E670 L671 K689 I690Q663-N667 VanDerWaalsContact NE2-CG 3.31Å; Q663-N667 PolarHBondContact NE2-ND2 2.85Å; Q663-N667 PolarHBondContact NE2-OD1 3.28Å; Q663-N667 VanDerWaalsContact O-CG 3.28Å; Q663-N667 PolarHBondContact O-N 3.21Å; Q663-N667 PolarHBondContact O-ND2 3.11Å; V664-N667 PolarHBondContact O-N 2.94Å; N667-E670 PolarHBondContact O-N 3.5Å; N667-L671 PolarHBondContact O-N 3.2Å; N667-L671 VanDerWaalsContact O-N 3.16Å; N667-K689 HydrophobicContact CB-CB 4.3Å; N667-K689 PolarHBondContact ND2-O 2.98Å; N667-I690 HydrophobicContact CB-CG1 3.6Å
668I95.4Very high91.6Very high10 Ų1066.9 Ų66.95%0.05131%0.313CS..Hα-helixtrans-63.4-39.7170-73.3165.5000112V664 T665 K666 E670 L671 L672 I690 A754 I757 A758V664-I668 HydrophobicContact CG1-CD1 3.88Å; V664-I668 WeakPolarHBondContact O-CG1 3.35Å; V664-I668 PolarHBondContact O-N 3.38Å; T665-I668 WeakPolarHBondContact O-CB 3.46Å; T665-I668 PolarHBondContact O-N 3Å; K666-I668 VanDerWaalsContact C-N 3.29Å; K666-I668 PolarHBondContact O-N 3.34Å; I668-E670 VanDerWaalsContact C-N 3.34Å; I668-E670 PolarHBondContact O-N 2.98Å; I668-L671 PolarHBondContact O-N 2.8Å; I668-L672 HydrophobicContact CG2-CD1 3.77Å; I668-L672 HydrophobicContact CG2-CG 4.15Å; I668-L672 WeakPolarHBondContact O-CB 3.13Å; I668-L672 VanDerWaalsContact O-CG 3.32Å; I668-L672 WeakPolarHBondContact O-CG 3.38Å; I668-L672 PolarHBondContact O-N 3.23Å; I668-I690 HydrophobicContact CG1-CD1 3.97Å; I668-I690 HydrophobicContact CG1-CG1 4.26Å; I668-A754 HydrophobicContact CG2-CB 4.13Å; I668-I757 HydrophobicContact CD1-CB 4.12Å; I668-I757 HydrophobicContact CD1-CG2 3.84Å; I668-A758 HydrophobicContact CD1-CB 4.15Å
669Q94.6Very high91.6Very high122 Ų12268.9 Ų68.957%0.5732%0.32SS*.Hα-helixtrans-65.8-34176.3-71.5171.626.300112.8T665 K666 R673T665-Q669 WeakPolarHBondContact O-CG 3.4Å; T665-Q669 PolarHBondContact O-N 3.49Å; K666-Q669 WeakPolarHBondContact O-CB 3.45Å; K666-Q669 PolarHBondContact O-N 2.98Å; K666-Q669 VanDerWaalsContact O-N 3.1Å; Q669-R673 WeakPolarHBondContact O-CB 3.29Å; Q669-R673 PolarHBondContact O-N 3.07Å; Q669-R673 VanDerWaalsContact O-N 3.09Å
670E94.3Very high91.5Very high71 Ų7165.9 Ų65.933%0.33230%0.303SS..Hα-helixtrans-63.9-45.9171.4-67.9-175-169.900111.4K666 N667 I668 R673 A674 K689K666-E670 PolarHBondContact O-N 3.49Å; K666-E670 VanDerWaalsContact O-N 3.12Å; N667-E670 PolarHBondContact O-N 3.5Å; I668-E670 VanDerWaalsContact C-N 3.34Å; I668-E670 PolarHBondContact O-N 2.98Å; E670-R673 PolarHBondContact O-N 3.48Å; E670-A674 PolarHBondContact O-N 3.49Å; E670-K689 IonicContact OE1-NZ 2.77Å; E670-K689 IonicContact OE2-NZ 2.75Å; E670-K689 PolarHBondContact OE2-NZ 3.1Å
671L93.6Very high91.3Very high0 Ų069.4 Ų69.40%033%0.325CS..Hα-helixtrans-61.8-47.4176178.264.6000112.6N667 I668 R673 A674 A675 F683 C686 I690 L724 V750 A754N667-L671 PolarHBondContact O-N 3.2Å; N667-L671 VanDerWaalsContact O-N 3.16Å; I668-L671 PolarHBondContact O-N 2.8Å; L671-R673 VanDerWaalsContact C-N 3.26Å; L671-R673 PolarHBondContact O-N 2.91Å; L671-A674 WeakPolarHBondContact O-CB 3.38Å; L671-A674 PolarHBondContact O-N 2.98Å; L671-A674 VanDerWaalsContact O-N 3.17Å; L671-A675 PolarHBondContact O-N 2.92Å; L671-F683 HydrophobicContact CD1-CD1 4.29Å; L671-F683 HydrophobicContact CD1-CG 4.42Å; L671-C686 HydrophobicContact CB-CB 3.98Å; L671-C686 HydrophobicContact CD1-CB 3.9Å; L671-I690 HydrophobicContact CB-CD1 3.95Å; L671-I690 HydrophobicContact CD2-CD1 3.6Å; L671-I690 HydrophobicContact CG-CD1 4.41Å; L671-L724 HydrophobicContact CD2-CD1 3.74Å; L671-L724 HydrophobicContact CD2-CD2 3.91Å; L671-L724 HydrophobicContact CD2-CG 4.39Å; L671-V750 HydrophobicContact CD1-CG1 3.86Å; L671-V750 HydrophobicContact CD2-CG1 3.93Å; L671-V750 HydrophobicContact CG-CG1 4.07Å; L671-A754 HydrophobicContact CD2-CB 4.13Å
672L93.8Very high91.3Very high55 Ų5570.8 Ų70.829%0.28834%0.335SS..Hα-helixtrans-64.4-31.9179.9-70.2175.8000111.8I668 Q676 I751 A754I668-L672 HydrophobicContact CG2-CD1 3.77Å; I668-L672 HydrophobicContact CG2-CG 4.15Å; I668-L672 WeakPolarHBondContact O-CB 3.13Å; I668-L672 VanDerWaalsContact O-CG 3.32Å; I668-L672 WeakPolarHBondContact O-CG 3.38Å; I668-L672 PolarHBondContact O-N 3.23Å; L672-Q676 VanDerWaalsContact O-CG 3.26Å; L672-Q676 WeakPolarHBondContact O-CG 3.46Å; L672-Q676 PolarHBondContact O-N 2.89Å; L672-I751 HydrophobicContact CD2-CB 4.35Å; L672-I751 HydrophobicContact CD2-CG1 3.88Å; L672-I751 HydrophobicContact CD2-CG2 4.16Å; L672-A754 HydrophobicContact CD2-CB 4.34Å
673R93.8Very high91.4Very high152 Ų15265.2 Ų65.257%0.57431%0.309SS*.Hα-helixtrans-68.1-46.1171.3-170.5-176.7-53-160.52.9111.7Q669 E670 L671 A675 Q676 E677Q669-R673 WeakPolarHBondContact O-CB 3.29Å; Q669-R673 PolarHBondContact O-N 3.07Å; Q669-R673 VanDerWaalsContact O-N 3.09Å; E670-R673 PolarHBondContact O-N 3.48Å; L671-R673 VanDerWaalsContact C-N 3.26Å; L671-R673 PolarHBondContact O-N 2.91Å; R673-A675 PolarHBondContact O-N 3.43Å; R673-Q676 PolarHBondContact O-N 3.25Å; R673-E677 WeakPolarHBondContact CD-OE1 3.25Å; R673-E677 HydrophobicContact CG-CG 4.43Å; R673-E677 VanDerWaalsContact CG-OE1 3.22Å; R673-E677 WeakPolarHBondContact CG-OE1 3.35Å; R673-E677 WeakPolarHBondContact O-CB 3.23Å; R673-E677 WeakPolarHBondContact O-CG 3.28Å; R673-E677 PolarHBondContact O-N 3.08Å
674A90.7Very high91.4Very high7 Ų763.6 Ų63.66%0.05830%0.304CS..Hα-helixtrans-58.6-38.217500000112.1E670 L671 E677 F678 K679 F683E670-A674 PolarHBondContact O-N 3.49Å; L671-A674 WeakPolarHBondContact O-CB 3.38Å; L671-A674 PolarHBondContact O-N 2.98Å; L671-A674 VanDerWaalsContact O-N 3.17Å; A674-E677 CarbonylContact O-C 3.41Å; A674-E677 PolarHBondContact O-N 3.44Å; A674-F678 PolarHBondContact O-N 3.25Å; A674-F678 VanDerWaalsContact O-N 3.13Å; A674-K679 HydrophobicContact CB-CB 4.35Å; A674-K679 PolarHBondContact O-N 2.74Å; A674-F683 HydrophobicContact CB-CD1 4.33Å; A674-F683 HydrophobicContact CB-CE1 4.31Å
675A89.3Confident91.4Very high5 Ų566.6 Ų66.64%0.04132%0.324CS..Hα-helixtrans-64.9-43.9174.200000112.9L671 R673 E677 F678 F683 T747 I751L671-A675 PolarHBondContact O-N 2.92Å; R673-A675 PolarHBondContact O-N 3.43Å; A675-E677 VanDerWaalsContact C-N 3.3Å; A675-E677 PolarHBondContact O-N 3.03Å; A675-F678 PolarHBondContact O-N 2.67Å; A675-F683 HydrophobicContact CB-CE1 4.27Å; A675-F683 HydrophobicContact CB-CZ 4.14Å; A675-T747 HydrophobicContact CB-CG2 3.9Å; A675-I751 HydrophobicContact CB-CD1 4.34Å; A675-I751 HydrophobicContact CB-CG1 4.28Å
676Q88.6Confident91.3Very high149 Ų14965.1 Ų65.170%0.69632%0.315SS*.Hα-helixtrans-66.4-30.4175.6-72.6168.7600113.1L672 R673L672-Q676 VanDerWaalsContact O-CG 3.26Å; L672-Q676 WeakPolarHBondContact O-CG 3.46Å; L672-Q676 PolarHBondContact O-N 2.89Å; R673-Q676 PolarHBondContact O-N 3.25Å
677E89Confident91.4Very high93 Ų9359.9 Ų59.944%0.43529%0.292SS..THydrogen-bonded Turntrans-89.74.1177.7-66.2177.4-164.100113.3R673 A674 A675 K679R673-E677 WeakPolarHBondContact CD-OE1 3.25Å; R673-E677 HydrophobicContact CG-CG 4.43Å; R673-E677 VanDerWaalsContact CG-OE1 3.22Å; R673-E677 WeakPolarHBondContact CG-OE1 3.35Å; R673-E677 WeakPolarHBondContact O-CB 3.23Å; R673-E677 WeakPolarHBondContact O-CG 3.28Å; R673-E677 PolarHBondContact O-N 3.08Å; A674-E677 CarbonylContact O-C 3.41Å; A674-E677 PolarHBondContact O-N 3.44Å; A675-E677 VanDerWaalsContact C-N 3.3Å; A675-E677 PolarHBondContact O-N 3.03Å; E677-K679 HydrophobicContact CB-CD 4Å; E677-K679 HydrophobicContact CB-CG 4.06Å; E677-K679 PolarHBondContact O-N 2.78Å; E677-K679 WeakPolarHBondContact OE2-CD 3.41Å; E677-K679 VanDerWaalsContact OE2-CE 3.22Å; E677-K679 WeakPolarHBondContact OE2-CE 3.5Å; E677-K679 IonicContact OE2-NZ 2.68Å; E677-K679 PolarHBondContact OE2-NZ 3.44Å
678F85.7Confident91.4Very high151 Ų15163.6 Ų63.666%0.66231%0.309SS*.THydrogen-bonded Turntrans54.729.7-176.1-61.2-91.5000114.5A674 A675 H680A674-F678 PolarHBondContact O-N 3.25Å; A674-F678 VanDerWaalsContact O-N 3.13Å; A675-F678 PolarHBondContact O-N 2.67Å; F678-H680 PolarHBondContact O-CD2 3.4Å; F678-H680 PolarHBondContact O-N 3.39Å; F678-H680 VanDerWaalsContact O-N 3.13Å
679K87.8Confident91.4Very high104 Ų10467.6 Ų67.645%0.45233%0.326SS..  trans-88.870.4-178.2-71.5177.2177.7170.30111.6A674 E677 D681 S682 F683A674-K679 HydrophobicContact CB-CB 4.35Å; A674-K679 PolarHBondContact O-N 2.74Å; E677-K679 HydrophobicContact CB-CD 4Å; E677-K679 HydrophobicContact CB-CG 4.06Å; E677-K679 PolarHBondContact O-N 2.78Å; E677-K679 WeakPolarHBondContact OE2-CD 3.41Å; E677-K679 VanDerWaalsContact OE2-CE 3.22Å; E677-K679 WeakPolarHBondContact OE2-CE 3.5Å; E677-K679 IonicContact OE2-NZ 2.68Å; E677-K679 PolarHBondContact OE2-NZ 3.44Å; K679-D681 VanDerWaalsContact C-N 3.27Å; K679-D681 PolarHBondContact O-N 3.02Å; K679-S682 WeakPolarHBondContact O-CB 3.44Å; K679-S682 PolarHBondContact O-N 2.88Å; K679-F683 WeakPolarHBondContact O-CD1 3.47Å
680H86.6Confident91.4Very high31 Ų3161.8 Ų61.814%0.14430%0.299CS..G310 helixtrans-58.2-34.5-176.4-60.3-51.8000113.5F678 S682 F683 A731 Y743 T747F678-H680 PolarHBondContact O-CD2 3.4Å; F678-H680 PolarHBondContact O-N 3.39Å; F678-H680 VanDerWaalsContact O-N 3.13Å; H680-S682 PolarHBondContact O-N 3.45Å; H680-S682 VanDerWaalsContact O-N 3.1Å; H680-F683 AromaticContact CE1-CZ 3.88Å; H680-F683 AromaticContact ND1-CE1 3.86Å; H680-F683 AromaticContact ND1-CE2 3.47Å; H680-F683 WeakPolarHBondContact ND1-CE2 3.34Å; H680-F683 AromaticContact ND1-CZ 3.26Å; H680-F683 VanDerWaalsContact ND1-CZ 3.26Å; H680-F683 WeakPolarHBondContact ND1-CZ 3.49Å; H680-F683 VanDerWaalsContact O-CB 3.29Å; H680-F683 WeakPolarHBondContact O-CB 3.33Å; H680-F683 WeakPolarHBondContact O-CG 3.37Å; H680-F683 PolarHBondContact O-N 3.08Å; H680-A731 HydrophobicContact CB-CB 4.23Å; H680-Y743 HydrophobicContact CB-CD1 4.19Å; H680-Y743 HydrophobicContact CB-CE1 4.06Å; H680-Y743 AromaticContact CD2-CD1 3.41Å; H680-Y743 VanDerWaalsContact CD2-CD1 3.41Å; H680-Y743 WeakPolarHBondContact CD2-CD1 3.4Å; H680-Y743 AromaticContact CD2-CE1 3.93Å; H680-Y743 AromaticContact CE1-CD1 4Å; H680-Y743 AromaticContact CG-CD1 3.55Å; H680-Y743 AromaticContact CG-CE1 3.92Å; H680-Y743 AromaticContact ND1-CD1 3.91Å; H680-Y743 AromaticContact NE2-CD1 3.72Å; H680-T747 PolarHBondContact CE1-OG1 3.06Å
681D85.8Confident91.4Very high138 Ų13860.8 Ų60.874%0.73829%0.294SS*.G310 helixtrans-58-25.9174.7-49.6-44.4000113.4K679K679-D681 VanDerWaalsContact C-N 3.27Å; K679-D681 PolarHBondContact O-N 3.02Å
682S90.9Very high91.4Very high45 Ų4563.7 Ų63.732%0.31532%0.315SS..G310 helixtrans-84.6-8179-57.10000113.4K679 H680 C686K679-S682 WeakPolarHBondContact O-CB 3.44Å; K679-S682 PolarHBondContact O-N 2.88Å; H680-S682 PolarHBondContact O-N 3.45Å; H680-S682 VanDerWaalsContact O-N 3.1Å; S682-C686 WeakPolarHBondContact O-CB 3.33Å; S682-C686 PolarHBondContact O-N 3.24Å; S682-C686 PolarHBondContact O-SG 2.72Å
683F93Very high91.4Very high0 Ų061.1 Ų61.10%030%0.301CS..Hα-helixtrans-66.9-44.5-175.5-74.817.5000111.6L671 A674 A675 K679 H680 C686 S687 C728 A731 T747 V750L671-F683 HydrophobicContact CD1-CD1 4.29Å; L671-F683 HydrophobicContact CD1-CG 4.42Å; A674-F683 HydrophobicContact CB-CD1 4.33Å; A674-F683 HydrophobicContact CB-CE1 4.31Å; A675-F683 HydrophobicContact CB-CE1 4.27Å; A675-F683 HydrophobicContact CB-CZ 4.14Å; K679-F683 WeakPolarHBondContact O-CD1 3.47Å; H680-F683 AromaticContact CE1-CZ 3.88Å; H680-F683 AromaticContact ND1-CE1 3.86Å; H680-F683 AromaticContact ND1-CE2 3.47Å; H680-F683 WeakPolarHBondContact ND1-CE2 3.34Å; H680-F683 AromaticContact ND1-CZ 3.26Å; H680-F683 VanDerWaalsContact ND1-CZ 3.26Å; H680-F683 WeakPolarHBondContact ND1-CZ 3.49Å; H680-F683 VanDerWaalsContact O-CB 3.29Å; H680-F683 WeakPolarHBondContact O-CB 3.33Å; H680-F683 WeakPolarHBondContact O-CG 3.37Å; H680-F683 PolarHBondContact O-N 3.08Å; F683-C686 PolarHBondContact O-N 3.42Å; F683-S687 WeakPolarHBondContact O-CB 3.34Å; F683-S687 PolarHBondContact O-N 3.2Å; F683-C728 HydrophobicContact CB-CB 3.98Å; F683-A731 HydrophobicContact CB-CB 4.21Å; F683-A731 HydrophobicContact CD2-CB 4.05Å; F683-A731 HydrophobicContact CG-CB 4.42Å; F683-T747 HydrophobicContact CZ-CG2 4.47Å; F683-V750 HydrophobicContact CD2-CG1 4.29Å; F683-V750 HydrophobicContact CD2-CG2 4.02Å; F683-V750 HydrophobicContact CE2-CB 4.39Å; F683-V750 HydrophobicContact CE2-CG1 4.26Å; F683-V750 HydrophobicContact CE2-CG2 4.14Å
684V92.8Very high91.4Very high33 Ų3354.1 Ų54.120%0.228%0.275CS..Hα-helixtrans-62.8-55-179.4176.30000111.7C686 S687 E688 C728 R729V684-C686 VanDerWaalsContact C-N 3.3Å; V684-C686 PolarHBondContact O-N 3.29Å; V684-S687 PolarHBondContact O-N 3.4Å; V684-S687 PolarHBondContact O-OG 2.87Å; V684-E688 PolarHBondContact O-N 3.45Å; V684-C728 HydrophobicContact CG2-CB 4.45Å; V684-C728 VanDerWaalsContact CG2-O 3.24Å; V684-C728 WeakPolarHBondContact CG2-O 3.17Å; V684-R729 HydrophobicContact CG2-CG 4.43Å
685P91.9Very high91.5Very high64 Ų6457.4 Ų57.442%0.41630%0.295SS..Hα-helixtrans-58.3-37.2177.3-25.635.2000113.9E688 K689P685-E688 PolarHBondContact O-N 2.89Å; P685-K689 WeakPolarHBondContact O-CG 3.34Å; P685-K689 PolarHBondContact O-N 2.64Å; P685-K689 VanDerWaalsContact O-N 3.09Å
686C93.3Very high91.6Very high12 Ų1260.4 Ų60.48%0.08131%0.308CS..Hα-helixtrans-67.1-39.1175.2-72.30000112.2L671 S682 F683 V684 E688 K689 I690L671-C686 HydrophobicContact CB-CB 3.98Å; L671-C686 HydrophobicContact CD1-CB 3.9Å; S682-C686 WeakPolarHBondContact O-CB 3.33Å; S682-C686 PolarHBondContact O-N 3.24Å; S682-C686 PolarHBondContact O-SG 2.72Å; F683-C686 PolarHBondContact O-N 3.42Å; V684-C686 VanDerWaalsContact C-N 3.3Å; V684-C686 PolarHBondContact O-N 3.29Å; C686-E688 VanDerWaalsContact C-N 3.29Å; C686-E688 PolarHBondContact O-N 2.94Å; C686-K689 PolarHBondContact O-N 3.44Å; C686-I690 WeakPolarHBondContact O-CD1 3.19Å; C686-I690 VanDerWaalsContact O-CG1 3.26Å; C686-I690 WeakPolarHBondContact O-CG1 3.25Å; C686-I690 PolarHBondContact O-N 3.13Å
687S94.8Very high91.6Very high2 Ų253.3 Ų53.31%0.01428%0.275CS..Hα-helixtrans-64.4-33.317677.40000112.7F683 V684 I690 H691F683-S687 WeakPolarHBondContact O-CB 3.34Å; F683-S687 PolarHBondContact O-N 3.2Å; V684-S687 PolarHBondContact O-N 3.4Å; V684-S687 PolarHBondContact O-OG 2.87Å; S687-I690 PolarHBondContact O-N 3.47Å; S687-H691 WeakPolarHBondContact O-CB 3.48Å; S687-H691 PolarHBondContact O-N 3.18Å
688E94.2Very high91.6Very high92 Ų9250.6 Ų50.643%0.4327%0.268SS..Hα-helixtrans-71.8-43.9176.6-69171.4161.200111.5V684 P685 C686 I690 H691 S692V684-E688 PolarHBondContact O-N 3.45Å; P685-E688 PolarHBondContact O-N 2.89Å; C686-E688 VanDerWaalsContact C-N 3.29Å; C686-E688 PolarHBondContact O-N 2.94Å; E688-I690 VanDerWaalsContact C-N 3.31Å; E688-I690 PolarHBondContact O-N 3.08Å; E688-H691 PolarHBondContact O-N 2.99Å; E688-S692 PolarHBondContact O-N 3.12Å
689K94.3Very high91.8Very high94 Ų9447.7 Ų47.741%0.40927%0.267SS..Hα-helixtrans-57-42.5170.2-71.5-178-175.7-172.40112.6N667 E670 P685 C686 A693N667-K689 HydrophobicContact CB-CB 4.3Å; N667-K689 PolarHBondContact ND2-O 2.98Å; E670-K689 IonicContact OE1-NZ 2.77Å; E670-K689 IonicContact OE2-NZ 2.75Å; E670-K689 PolarHBondContact OE2-NZ 3.1Å; P685-K689 WeakPolarHBondContact O-CG 3.34Å; P685-K689 PolarHBondContact O-N 2.64Å; P685-K689 VanDerWaalsContact O-N 3.09Å; C686-K689 PolarHBondContact O-N 3.44Å; K689-A693 WeakPolarHBondContact O-CB 3.3Å; K689-A693 PolarHBondContact O-N 3.35Å
690I94.8Very high91.7Very high0 Ų045 Ų450%026%0.257CS..Hα-helixtrans-66.8-43.7178.2-68.1164.8000110N667 I668 L671 C686 S687 E688 A693 V694 L724 I757N667-I690 HydrophobicContact CB-CG1 3.6Å; I668-I690 HydrophobicContact CG1-CD1 3.97Å; I668-I690 HydrophobicContact CG1-CG1 4.26Å; L671-I690 HydrophobicContact CB-CD1 3.95Å; L671-I690 HydrophobicContact CD2-CD1 3.6Å; L671-I690 HydrophobicContact CG-CD1 4.41Å; C686-I690 WeakPolarHBondContact O-CD1 3.19Å; C686-I690 VanDerWaalsContact O-CG1 3.26Å; C686-I690 WeakPolarHBondContact O-CG1 3.25Å; C686-I690 PolarHBondContact O-N 3.13Å; S687-I690 PolarHBondContact O-N 3.47Å; E688-I690 VanDerWaalsContact C-N 3.31Å; E688-I690 PolarHBondContact O-N 3.08Å; I690-A693 PolarHBondContact O-N 3.3Å; I690-V694 HydrophobicContact CG2-CG2 4.46Å; I690-V694 WeakPolarHBondContact O-CB 3.47Å; I690-V694 WeakPolarHBondContact O-CG2 3.38Å; I690-V694 PolarHBondContact O-N 2.82Å; I690-L724 HydrophobicContact CB-CD2 4.21Å; I690-L724 HydrophobicContact CD1-CD2 3.69Å; I690-L724 HydrophobicContact CG2-CD2 3.89Å; I690-I757 HydrophobicContact CG2-CD1 3.85Å; I690-I757 HydrophobicContact CG2-CG2 4.44Å
691H94.9Very high91.7Very high50 Ų5044.1 Ų44.123%0.23125%0.253CS..Hα-helixtrans-62.5-47.7178.3-164.4106.7000111.9S687 E688 A693 V694 T695 Q725S687-H691 WeakPolarHBondContact O-CB 3.48Å; S687-H691 PolarHBondContact O-N 3.18Å; E688-H691 PolarHBondContact O-N 2.99Å; H691-A693 PolarHBondContact O-N 3.22Å; H691-V694 CarbonylContact O-C 3.57Å; H691-V694 PolarHBondContact O-N 3.43Å; H691-V694 VanDerWaalsContact O-N 3.13Å; H691-T695 PolarHBondContact CD2-OG1 3.3Å; H691-T695 PolarHBondContact O-N 3.06Å; H691-T695 PolarHBondContact O-OG1 2.68Å; H691-Q725 HydrophobicContact CB-CG 4.32Å; H691-Q725 VanDerWaalsContact CB-NE2 3.34Å; H691-Q725 PolarHBondContact CE1-OE1 3.5Å; H691-Q725 VanDerWaalsContact ND1-CD 3.3Å; H691-Q725 PolarHBondContact ND1-OE1 3.19Å
692S94.9Very high91.3Very high61 Ų6140.3 Ų40.343%0.42724%0.235SC..Hα-helixtrans-55.9-49.8176.2-170.90000111.8E688 V694 T695 E696E688-S692 PolarHBondContact O-N 3.12Å; S692-V694 VanDerWaalsContact C-N 3.27Å; S692-V694 PolarHBondContact O-N 2.86Å; S692-T695 PolarHBondContact O-N 2.88Å; S692-T695 VanDerWaalsContact O-N 3.12Å; S692-E696 WeakPolarHBondContact O-CG 3.26Å; S692-E696 PolarHBondContact O-N 2.8Å; S692-E696 PolarHBondContact OG-OE1 3Å
693A93.1Very high90.3Very high1 Ų148.6 Ų48.61%0.00827%0.266CS..Hα-helixtrans-62.8-32.9179.200000112.6Q663 V664 K689 I690 H691 M697Q663-A693 HydrophobicContact CG-CB 4.33Å; V664-A693 HydrophobicContact CG2-CB 3.68Å; K689-A693 WeakPolarHBondContact O-CB 3.3Å; K689-A693 PolarHBondContact O-N 3.35Å; I690-A693 PolarHBondContact O-N 3.3Å; H691-A693 PolarHBondContact O-N 3.22Å; A693-M697 VanDerWaalsContact O-CB 3.26Å; A693-M697 WeakPolarHBondContact O-CB 3.31Å; A693-M697 PolarHBondContact O-N 2.92Å
694V94.4Very high89.1Confident4 Ų459.4 Ų59.42%0.02431%0.307CS..Hα-helixtrans-71.4-40.3172.9162.40000112V664 I690 H691 S692 M697 A698 L717 A721 I757V664-V694 HydrophobicContact CG1-CG2 4.23Å; V664-V694 HydrophobicContact CG2-CG2 4.04Å; I690-V694 HydrophobicContact CG2-CG2 4.46Å; I690-V694 WeakPolarHBondContact O-CB 3.47Å; I690-V694 WeakPolarHBondContact O-CG2 3.38Å; I690-V694 PolarHBondContact O-N 2.82Å; H691-V694 CarbonylContact O-C 3.57Å; H691-V694 PolarHBondContact O-N 3.43Å; H691-V694 VanDerWaalsContact O-N 3.13Å; S692-V694 VanDerWaalsContact C-N 3.27Å; S692-V694 PolarHBondContact O-N 2.86Å; V694-M697 PolarHBondContact O-N 2.93Å; V694-A698 VanDerWaalsContact O-CB 3.31Å; V694-A698 WeakPolarHBondContact O-CB 3.4Å; V694-A698 PolarHBondContact O-N 2.87Å; V694-L717 HydrophobicContact CB-CD2 4.45Å; V694-L717 HydrophobicContact CB-CG 4.45Å; V694-L717 HydrophobicContact CG1-CD2 3.88Å; V694-L717 HydrophobicContact CG1-CG 3.76Å; V694-L717 HydrophobicContact CG2-CD1 4.2Å; V694-L717 HydrophobicContact CG2-CD2 4.2Å; V694-L717 HydrophobicContact CG2-CG 3.95Å; V694-A721 HydrophobicContact CB-CB 4.17Å; V694-A721 HydrophobicContact CG1-CB 3.89Å; V694-A721 HydrophobicContact CG2-CB 4.21Å; V694-I757 HydrophobicContact CG2-CG2 4Å
695T91.7Very high88.1Confident77 Ų7758.8 Ų58.847%0.47230%0.303SS..Hα-helixtrans-63.4-44.1174.3-52.60000111H691 S692 A698 S699H691-T695 PolarHBondContact CD2-OG1 3.3Å; H691-T695 PolarHBondContact O-N 3.06Å; H691-T695 PolarHBondContact O-OG1 2.68Å; S692-T695 PolarHBondContact O-N 2.88Å; S692-T695 VanDerWaalsContact O-N 3.12Å; T695-A698 PolarHBondContact O-N 3.41Å; T695-S699 WeakPolarHBondContact O-CB 3.15Å; T695-S699 PolarHBondContact O-N 3.35Å
696E91.3Very high86.9Confident68 Ų6859.9 Ų59.932%0.31832%0.318SS..Hα-helixtrans-61.5-47.3173.9-70.8168.2-123.200111.6K660 S692 A698 S699K660-E696 HydrophobicContact CD-CB 4.31Å; K660-E696 IonicContact NZ-OE2 2.68Å; K660-E696 PolarHBondContact NZ-OE2 2.73Å; S692-E696 WeakPolarHBondContact O-CG 3.26Å; S692-E696 PolarHBondContact O-N 2.8Å; S692-E696 PolarHBondContact OG-OE1 3Å; E696-A698 VanDerWaalsContact C-N 3.31Å; E696-A698 PolarHBondContact O-N 3.31Å; E696-S699 PolarHBondContact O-N 2.97Å; E696-S699 VanDerWaalsContact O-N 3.14Å; E696-S699 PolarHBondContact O-OG 3.32Å
697M89.8Confident86.2Confident0 Ų062.1 Ų62.10%033%0.329CS..Hα-helixtrans-60.3-40.9176.5-172.6-179.2-178.400111.7V657 K660 T661 V664 A693 V694 S699 L700 F701 L717 A761 L764V657-M697 HydrophobicContact CG1-CE 3.79Å; K660-M697 HydrophobicContact CB-CB 3.95Å; K660-M697 HydrophobicContact CB-CG 3.99Å; T661-M697 WeakPolarHBondContact OG1-CE 3.12Å; V664-M697 HydrophobicContact CG2-SD 4.34Å; A693-M697 VanDerWaalsContact O-CB 3.26Å; A693-M697 WeakPolarHBondContact O-CB 3.31Å; A693-M697 PolarHBondContact O-N 2.92Å; V694-M697 PolarHBondContact O-N 2.93Å; M697-S699 VanDerWaalsContact C-N 3.33Å; M697-L700 PolarHBondContact O-N 3.1Å; M697-F701 WeakPolarHBondContact O-CD2 3.38Å; M697-F701 WeakPolarHBondContact O-CE2 3.48Å; M697-L717 HydrophobicContact CG-CD2 4.42Å; M697-L717 HydrophobicContact SD-CD2 3.78Å; M697-A761 HydrophobicContact CE-CB 4.14Å; M697-A761 HydrophobicContact SD-CB 4.17Å; M697-L764 HydrophobicContact CE-CB 3.91Å; M697-L764 HydrophobicContact CE-CD1 3.78Å
698A88.8Confident85.4Confident35 Ų3567.6 Ų67.629%0.28936%0.358SS..Hα-helixtrans-68.7-31176.100000112.7V694 T695 E696 L700 F701 L714V694-A698 VanDerWaalsContact O-CB 3.31Å; V694-A698 WeakPolarHBondContact O-CB 3.4Å; V694-A698 PolarHBondContact O-N 2.87Å; T695-A698 PolarHBondContact O-N 3.41Å; E696-A698 VanDerWaalsContact C-N 3.31Å; E696-A698 PolarHBondContact O-N 3.31Å; A698-L700 PolarHBondContact O-N 3.26Å; A698-F701 PolarHBondContact O-N 3.43Å; A698-F701 VanDerWaalsContact O-N 3.14Å; A698-L714 HydrophobicContact CB-CD2 4.08Å
699S88.2Confident84.7Confident90 Ų9066.9 Ų66.963%0.62936%0.36SS*.Hα-helixtrans-69.5-15.3179.375.50000114.5T695 E696 M697 F701T695-S699 WeakPolarHBondContact O-CB 3.15Å; T695-S699 PolarHBondContact O-N 3.35Å; E696-S699 PolarHBondContact O-N 2.97Å; E696-S699 VanDerWaalsContact O-N 3.14Å; E696-S699 PolarHBondContact O-OG 3.32Å; M697-S699 VanDerWaalsContact C-N 3.33Å; S699-F701 PolarHBondContact O-N 2.95Å
700L85.9Confident84.3Confident48 Ų4862.4 Ų62.425%0.25134%0.34SS..THydrogen-bonded Turntrans-68-23.1170.8-61.3-179000112.7P652 D656 V657 K660 M697 A698P652-L700 HydrophobicContact CB-CB 3.93Å; P652-L700 WeakPolarHBondContact CB-O 3.3Å; P652-L700 HydrophobicContact CG-CB 4.09Å; P652-L700 WeakPolarHBondContact CG-O 3.44Å; D656-L700 HydrophobicContact CB-CD1 3.88Å; D656-L700 HydrophobicContact CB-CD2 4.33Å; V657-L700 HydrophobicContact CG2-CD1 3.79Å; K660-L700 HydrophobicContact CB-CD1 4.33Å; K660-L700 HydrophobicContact CG-CD1 3.79Å; M697-L700 PolarHBondContact O-N 3.1Å; A698-L700 PolarHBondContact O-N 3.26Å
701F86.9Confident83.8Confident13 Ų1365.9 Ų65.96%0.05736%0.356CS..SBendtrans-98.3145.8-174.2-64.8-94000111.5L651 P652 V657 M697 A698 S699 V710 L714 L764 T768L651-F701 HydrophobicContact CD2-CD1 4.3Å; L651-F701 HydrophobicContact CD2-CE1 4.33Å; P652-F701 HydrophobicContact CG-CD1 3.79Å; P652-F701 HydrophobicContact CG-CD2 4.36Å; P652-F701 HydrophobicContact CG-CE1 3.71Å; P652-F701 HydrophobicContact CG-CE2 4.29Å; P652-F701 HydrophobicContact CG-CG 4.14Å; P652-F701 HydrophobicContact CG-CZ 3.98Å; V657-F701 HydrophobicContact CG1-CE2 4.47Å; V657-F701 HydrophobicContact CG1-CZ 4.08Å; V657-F701 HydrophobicContact CG2-CE2 3.97Å; V657-F701 HydrophobicContact CG2-CZ 3.73Å; M697-F701 WeakPolarHBondContact O-CD2 3.38Å; M697-F701 WeakPolarHBondContact O-CE2 3.48Å; A698-F701 PolarHBondContact O-N 3.43Å; A698-F701 VanDerWaalsContact O-N 3.14Å; S699-F701 PolarHBondContact O-N 2.95Å; F701-V710 HydrophobicContact CD1-CG1 3.55Å; F701-V710 HydrophobicContact CE1-CG1 3.7Å; F701-V710 HydrophobicContact CG-CG1 4.39Å; F701-L714 HydrophobicContact CB-CD1 3.71Å; F701-L714 HydrophobicContact CD1-CD1 4.36Å; F701-L714 HydrophobicContact CD2-CD1 4.2Å; F701-L714 HydrophobicContact CD2-CD2 3.77Å; F701-L714 HydrophobicContact CD2-CG 4.48Å; F701-L714 HydrophobicContact CE2-CD2 4.12Å; F701-L714 HydrophobicContact CG-CD1 3.84Å; F701-L714 HydrophobicContact CG-CD2 4.27Å; F701-L764 HydrophobicContact CE1-CD2 4.37Å; F701-L764 HydrophobicContact CZ-CB 4.47Å; F701-L764 HydrophobicContact CZ-CD2 4.06Å; F701-T768 HydrophobicContact CE1-CG2 3.93Å; F701-T768 HydrophobicContact CZ-CG2 4.13Å
702P78.4Confident83.3Confident57 Ų5766.6 Ų66.637%0.3737%0.366SS..  trans-60.6146.9174.726-34.5000110.9R704 P705P702-R704 CarbonylContact O-C 3.59Å; P702-R704 PolarHBondContact O-N 3.48Å; P702-P705 WeakPolarHBondContact O-CD 3.37Å
703K69Low83.1Confident219 Ų21964.1 Ų64.195%0.95235%0.349SS*.SBendtrans-58.4-13.5-177.3-66.9179.7-179.61740114.5
704R66.9Low82.8Confident228 Ų22865.2 Ų65.286%0.8636%0.355SS*.SBendtrans-136.897.1165.4-66.7-179.3-179.6169.6-0.6107.5P702P702-R704 CarbonylContact O-C 3.59Å; P702-R704 PolarHBondContact O-N 3.48Å
705P73.6Confident82.6Confident19 Ų1971.8 Ų71.812%0.12338%0.379CS..  trans-63.2141.5170.2-18.532.1000110P702 L707 V710 H711 L714P702-P705 WeakPolarHBondContact O-CD 3.37Å; P705-L707 VanDerWaalsContact C-N 3.27Å; P705-L707 PolarHBondContact O-N 3Å; P705-V710 HydrophobicContact CB-CB 4.02Å; P705-V710 HydrophobicContact CB-CG1 3.86Å; P705-V710 HydrophobicContact CG-CG1 4.03Å; P705-H711 HydrophobicContact CG-CB 4.31Å; P705-L714 HydrophobicContact CG-CD1 3.94Å
706A65.2Low82.4Confident88 Ų8871.2 Ų71.273%0.72737%0.373SS*.SBendtrans-67.1-29.9176.500000112.3
707L79.4Confident82.5Confident59 Ų5968 Ų6831%0.30936%0.358SS..  trans-94.5123.1177.9-65.196.5000112.3P705 T709 V710 H711 E771P705-L707 VanDerWaalsContact C-N 3.27Å; P705-L707 PolarHBondContact O-N 3Å; L707-T709 PolarHBondContact O-N 3.07Å; L707-V710 HydrophobicContact CB-CB 4.47Å; L707-V710 HydrophobicContact CB-CG2 4.07Å; L707-V710 PolarHBondContact O-N 3.25Å; L707-V710 VanDerWaalsContact O-N 3.13Å; L707-H711 PolarHBondContact O-N 3.16Å; L707-H711 VanDerWaalsContact O-N 3.11Å; L707-E771 WeakPolarHBondContact CD1-OE2 3.18Å; L707-E771 WeakPolarHBondContact CD2-OE1 3.45Å
708D78.3Confident82.6Confident117 Ų11770 Ų7063%0.62638%0.375SS*.Hα-helixtrans-61.5-24.5174.5-89.2-44.8000113.3H711 C712D708-H711 PolarHBondContact O-N 3.35Å; D708-H711 IonicContact OD1-ND1 3.71Å; D708-H711 PolarHBondContact OD1-ND1 2.99Å; D708-C712 VanDerWaalsContact O-CB 3.25Å; D708-C712 WeakPolarHBondContact O-CB 3.44Å; D708-C712 PolarHBondContact O-N 3.26Å; D708-C712 PolarHBondContact O-SG 3.38Å
709T80.1Confident82.8Confident77 Ų7771.4 Ų71.447%0.47238%0.382SS..Hα-helixtrans-65.8-41.8174.654.30000112.1L707 S713L707-T709 PolarHBondContact O-N 3.07Å; T709-S713 WeakPolarHBondContact O-CB 3.4Å; T709-S713 PolarHBondContact O-N 2.79Å; T709-S713 PolarHBondContact O-OG 3.18Å
710V84.6Confident83Confident0 Ų067.1 Ų67.10%035%0.352CS..Hα-helixtrans-67.3-48.1174177.80000109.7L651 F701 P705 L707 C712 S713 L714 L764 I767L651-V710 HydrophobicContact CD2-CG2 4.38Å; F701-V710 HydrophobicContact CD1-CG1 3.55Å; F701-V710 HydrophobicContact CE1-CG1 3.7Å; F701-V710 HydrophobicContact CG-CG1 4.39Å; P705-V710 HydrophobicContact CB-CB 4.02Å; P705-V710 HydrophobicContact CB-CG1 3.86Å; P705-V710 HydrophobicContact CG-CG1 4.03Å; L707-V710 HydrophobicContact CB-CB 4.47Å; L707-V710 HydrophobicContact CB-CG2 4.07Å; L707-V710 PolarHBondContact O-N 3.25Å; L707-V710 VanDerWaalsContact O-N 3.13Å; V710-C712 PolarHBondContact O-N 2.97Å; V710-S713 PolarHBondContact O-N 3Å; V710-L714 HydrophobicContact CG1-CD1 3.95Å; V710-L714 HydrophobicContact CG1-CG 4.38Å; V710-L714 WeakPolarHBondContact O-CB 3.47Å; V710-L714 WeakPolarHBondContact O-CG 3.34Å; V710-L714 PolarHBondContact O-N 2.97Å; V710-L764 HydrophobicContact CG1-CD2 4Å; V710-I767 HydrophobicContact CG2-CB 4.44Å; V710-I767 HydrophobicContact CG2-CD1 4.31Å; V710-I767 HydrophobicContact CG2-CG2 3.6Å
711H84.1Confident83.4Confident72 Ų7264.9 Ų64.933%0.33334%0.341SS..Hα-helixtrans-58.4-43.6178.2178.7-159.7000112.7P705 L707 D708 R715P705-H711 HydrophobicContact CG-CB 4.31Å; L707-H711 PolarHBondContact O-N 3.16Å; L707-H711 VanDerWaalsContact O-N 3.11Å; D708-H711 PolarHBondContact O-N 3.35Å; D708-H711 IonicContact OD1-ND1 3.71Å; D708-H711 PolarHBondContact OD1-ND1 2.99Å; H711-R715 PolarHBondContact CE1-NH2 2.93Å; H711-R715 PolarHBondContact NE2-NH2 3.38Å; H711-R715 WeakPolarHBondContact O-CB 3.49Å; H711-R715 PolarHBondContact O-N 3.49Å
712C85.5Confident83.7Confident66 Ų6666.9 Ų66.945%0.44636%0.356SS..Hα-helixtrans-66.7-41.2174.8-71.10000112.2D708 V710 R715 L716D708-C712 VanDerWaalsContact O-CB 3.25Å; D708-C712 WeakPolarHBondContact O-CB 3.44Å; D708-C712 PolarHBondContact O-N 3.26Å; D708-C712 PolarHBondContact O-SG 3.38Å; V710-C712 PolarHBondContact O-N 2.97Å; C712-R715 PolarHBondContact O-N 3.04Å; C712-L716 WeakPolarHBondContact O-CB 3.47Å; C712-L716 PolarHBondContact O-N 2.93Å
713S89.1Confident84.5Confident9 Ų969.1 Ų69.16%0.06336%0.357CS..Hα-helixtrans-66.4-41.8179.2-58.20000111.9T709 V710 L716 L717T709-S713 WeakPolarHBondContact O-CB 3.4Å; T709-S713 PolarHBondContact O-N 2.79Å; T709-S713 PolarHBondContact O-OG 3.18Å; V710-S713 PolarHBondContact O-N 3Å; S713-L716 PolarHBondContact O-N 3.3Å; S713-L717 WeakPolarHBondContact O-CB 3.49Å; S713-L717 PolarHBondContact O-N 3.13Å
714L88.6Confident85.7Confident24 Ų2458.7 Ų58.713%0.12631%0.312CS..Hα-helixtrans-61.9-43.6172.3-74.4171.4000112.1A698 F701 P705 V710 L716 L717 A718 L764A698-L714 HydrophobicContact CB-CD2 4.08Å; F701-L714 HydrophobicContact CB-CD1 3.71Å; F701-L714 HydrophobicContact CD1-CD1 4.36Å; F701-L714 HydrophobicContact CD2-CD1 4.2Å; F701-L714 HydrophobicContact CD2-CD2 3.77Å; F701-L714 HydrophobicContact CD2-CG 4.48Å; F701-L714 HydrophobicContact CE2-CD2 4.12Å; F701-L714 HydrophobicContact CG-CD1 3.84Å; F701-L714 HydrophobicContact CG-CD2 4.27Å; P705-L714 HydrophobicContact CG-CD1 3.94Å; V710-L714 HydrophobicContact CG1-CD1 3.95Å; V710-L714 HydrophobicContact CG1-CG 4.38Å; V710-L714 WeakPolarHBondContact O-CB 3.47Å; V710-L714 WeakPolarHBondContact O-CG 3.34Å; V710-L714 PolarHBondContact O-N 2.97Å; L714-L716 VanDerWaalsContact C-N 3.35Å; L714-L716 PolarHBondContact O-N 2.7Å; L714-L717 PolarHBondContact O-N 3.35Å; L714-A718 WeakPolarHBondContact O-CB 3.4Å; L714-A718 PolarHBondContact O-N 3.2Å; L714-L764 HydrophobicContact CD2-CD1 3.84Å; L714-L764 HydrophobicContact CD2-CD2 4.31Å; L714-L764 HydrophobicContact CG-CD1 4.36Å; L714-L764 HydrophobicContact CG-CD2 4.07Å
715R88.6Confident87Confident141 Ų14149.5 Ų49.553%0.53228%0.279SS..Hα-helixtrans-62.8-40.9177.1-167.2-172.7-58.31574.7111.7H711 C712 S719H711-R715 PolarHBondContact CE1-NH2 2.93Å; H711-R715 PolarHBondContact NE2-NH2 3.38Å; H711-R715 WeakPolarHBondContact O-CB 3.49Å; H711-R715 PolarHBondContact O-N 3.49Å; C712-R715 PolarHBondContact O-N 3.04Å; R715-S719 VanDerWaalsContact O-CB 3.28Å; R715-S719 WeakPolarHBondContact O-CB 3.25Å; R715-S719 PolarHBondContact O-N 3.02Å; R715-S719 PolarHBondContact O-OG 2.9Å
716L89.2Confident87.9Confident65 Ų6552.8 Ų52.834%0.3430%0.298SS..Hα-helixtrans-66.1-42.9175.4-178.561.1000111.8C712 S713 L714 S719 S720 A760C712-L716 WeakPolarHBondContact O-CB 3.47Å; C712-L716 PolarHBondContact O-N 2.93Å; S713-L716 PolarHBondContact O-N 3.3Å; L714-L716 VanDerWaalsContact C-N 3.35Å; L714-L716 PolarHBondContact O-N 2.7Å; L716-S719 PolarHBondContact O-OG 3.3Å; L716-S720 VanDerWaalsContact O-CB 3.23Å; L716-S720 WeakPolarHBondContact O-CB 3.37Å; L716-S720 PolarHBondContact O-N 3.42Å; L716-S720 PolarHBondContact O-OG 2.79Å; L716-A760 HydrophobicContact CB-CB 4.29Å; L716-A760 HydrophobicContact CD2-CB 4.09Å; L716-A760 HydrophobicContact CG-CB 4.05Å
717L92.1Very high89.2Confident0 Ų049.7 Ų49.70%027%0.269CS..Hα-helixtrans-60-52.4177.4-16977000111.4V694 M697 S713 L714 S720 A721 I757 A760 A761 L764V694-L717 HydrophobicContact CB-CD2 4.45Å; V694-L717 HydrophobicContact CB-CG 4.45Å; V694-L717 HydrophobicContact CG1-CD2 3.88Å; V694-L717 HydrophobicContact CG1-CG 3.76Å; V694-L717 HydrophobicContact CG2-CD1 4.2Å; V694-L717 HydrophobicContact CG2-CD2 4.2Å; V694-L717 HydrophobicContact CG2-CG 3.95Å; M697-L717 HydrophobicContact CG-CD2 4.42Å; M697-L717 HydrophobicContact SD-CD2 3.78Å; S713-L717 WeakPolarHBondContact O-CB 3.49Å; S713-L717 PolarHBondContact O-N 3.13Å; L714-L717 PolarHBondContact O-N 3.35Å; L717-S720 PolarHBondContact O-N 2.81Å; L717-A721 WeakPolarHBondContact O-CB 3.1Å; L717-A721 PolarHBondContact O-N 2.79Å; L717-I757 HydrophobicContact CD1-CG2 3.7Å; L717-I757 WeakPolarHBondContact CD1-O 3.46Å; L717-A760 HydrophobicContact CB-CB 3.97Å; L717-A760 HydrophobicContact CD1-CB 3.89Å; L717-A761 HydrophobicContact CD1-CB 3.94Å; L717-L764 HydrophobicContact CD2-CD1 4.03Å
718A91.9Very high89.7Confident44 Ų4446.9 Ų46.936%0.36425%0.254SS..Hα-helixtrans-66.8-44.1-178.700000112.7L714 S720 A721 S722L714-A718 WeakPolarHBondContact O-CB 3.4Å; L714-A718 PolarHBondContact O-N 3.2Å; A718-S720 PolarHBondContact O-N 3.34Å; A718-A721 PolarHBondContact O-N 2.9Å; A718-S722 PolarHBondContact O-N 2.68Å; A718-S722 PolarHBondContact O-OG 3.09Å
719S92.5Very high90.2Very high63 Ų6348.6 Ų48.644%0.44125%0.252SS..Hα-helixtrans-66.1-37.6178.156.10000112.5R715 L716 S722 R723R715-S719 VanDerWaalsContact O-CB 3.28Å; R715-S719 WeakPolarHBondContact O-CB 3.25Å; R715-S719 PolarHBondContact O-N 3.02Å; R715-S719 PolarHBondContact O-OG 2.9Å; L716-S719 PolarHBondContact O-OG 3.3Å; S719-S722 PolarHBondContact O-N 2.8Å; S719-R723 WeakPolarHBondContact O-CB 3.35Å; S719-R723 PolarHBondContact O-N 2.83Å
720S93.7Very high90.6Very high1 Ų149.3 Ų49.31%0.00725%0.249CC..Hα-helixtrans-69.8-35.1175.4-56.10000112.4L716 L717 A718 R723 L724L716-S720 VanDerWaalsContact O-CB 3.23Å; L716-S720 WeakPolarHBondContact O-CB 3.37Å; L716-S720 PolarHBondContact O-N 3.42Å; L716-S720 PolarHBondContact O-OG 2.79Å; L717-S720 PolarHBondContact O-N 2.81Å; A718-S720 PolarHBondContact O-N 3.34Å; S720-R723 PolarHBondContact O-N 2.85Å; S720-L724 VanDerWaalsContact O-CB 3.29Å; S720-L724 WeakPolarHBondContact O-CB 3.29Å; S720-L724 PolarHBondContact O-N 3.39Å
721A93.9Very high90.4Very high1 Ų149.5 Ų49.51%0.00825%0.25CS..Hα-helixtrans-66.9-41.9173.400000112.8V694 L717 A718 L724 Q725 I757V694-A721 HydrophobicContact CB-CB 4.17Å; V694-A721 HydrophobicContact CG1-CB 3.89Å; V694-A721 HydrophobicContact CG2-CB 4.21Å; L717-A721 WeakPolarHBondContact O-CB 3.1Å; L717-A721 PolarHBondContact O-N 2.79Å; A718-A721 PolarHBondContact O-N 2.9Å; A721-L724 WeakPolarHBondContact O-CB 3.41Å; A721-L724 PolarHBondContact O-N 3.15Å; A721-Q725 PolarHBondContact O-N 3.1Å; A721-Q725 VanDerWaalsContact O-N 3.13Å; A721-I757 HydrophobicContact CB-CD1 4.23Å
722S93.8Very high90.1Very high55 Ų5548.2 Ų48.239%0.38525%0.252SS..Hα-helixtrans-65.9-41.3173-63.40000112.1A718 S719 L724 Q725 V726A718-S722 PolarHBondContact O-N 2.68Å; A718-S722 PolarHBondContact O-OG 3.09Å; S719-S722 PolarHBondContact O-N 2.8Å; S722-L724 VanDerWaalsContact C-N 3.34Å; S722-L724 PolarHBondContact O-N 3.31Å; S722-Q725 PolarHBondContact O-N 3.4Å; S722-V726 WeakPolarHBondContact O-CG2 3.49Å; S722-V726 PolarHBondContact O-N 2.89Å; S722-V726 VanDerWaalsContact O-N 3.12Å
723R94.1Very high89.3Confident103 Ų10350.9 Ų50.939%0.38927%0.268SS..Hα-helixtrans-62.1-42.5174.7-164179.873.1-155.6-0.6111.1S719 S720 Q725 V726 E727 C753 D756S719-R723 WeakPolarHBondContact O-CB 3.35Å; S719-R723 PolarHBondContact O-N 2.83Å; S720-R723 PolarHBondContact O-N 2.85Å; R723-Q725 VanDerWaalsContact C-N 3.34Å; R723-Q725 PolarHBondContact O-N 2.9Å; R723-V726 PolarHBondContact O-N 3.36Å; R723-E727 WeakPolarHBondContact O-CG 3.07Å; R723-E727 PolarHBondContact O-N 3.43Å; R723-C753 PolarHBondContact NE-SG 3Å; R723-C753 PolarHBondContact NH2-SG 3.33Å; R723-D756 IonicContact CZ-OD2 3.31Å; R723-D756 IonicContact NH1-OD2 2.97Å; R723-D756 IonicContact NH2-OD2 3.31Å; R723-D756 PolarHBondContact NH2-OD2 2.92Å
724L95.2Very high88Confident0 Ų054 Ų540%029%0.29CS..Hα-helixtrans-57.7-43.1175.3176.562.8000112.4L671 I690 S720 A721 S722 E727 C728 V750 C753 I757L671-L724 HydrophobicContact CD2-CD1 3.74Å; L671-L724 HydrophobicContact CD2-CD2 3.91Å; L671-L724 HydrophobicContact CD2-CG 4.39Å; I690-L724 HydrophobicContact CB-CD2 4.21Å; I690-L724 HydrophobicContact CD1-CD2 3.69Å; I690-L724 HydrophobicContact CG2-CD2 3.89Å; S720-L724 VanDerWaalsContact O-CB 3.29Å; S720-L724 WeakPolarHBondContact O-CB 3.29Å; S720-L724 PolarHBondContact O-N 3.39Å; A721-L724 WeakPolarHBondContact O-CB 3.41Å; A721-L724 PolarHBondContact O-N 3.15Å; S722-L724 VanDerWaalsContact C-N 3.34Å; S722-L724 PolarHBondContact O-N 3.31Å; L724-E727 PolarHBondContact O-N 2.9Å; L724-C728 VanDerWaalsContact CD1-SG 3.6Å; L724-C728 WeakPolarHBondContact O-CB 3.46Å; L724-C728 PolarHBondContact O-N 3.49Å; L724-C728 PolarHBondContact O-SG 2.81Å; L724-V750 HydrophobicContact CD1-CG1 4.01Å; L724-C753 HydrophobicContact CB-CB 3.86Å; L724-C753 HydrophobicContact CD1-CB 3.94Å; L724-C753 HydrophobicContact CG-CB 4.45Å; L724-I757 HydrophobicContact CB-CD1 4.19Å; L724-I757 HydrophobicContact CD2-CD1 3.66Å
725Q94.1Very high86.5Confident35 Ų3561 Ų6116%0.16432%0.322CS..Hα-helixtrans-64.2-41.4175.4-74.7179.8-41.600112.5H691 A721 S722 R723 C728 R729H691-Q725 HydrophobicContact CB-CG 4.32Å; H691-Q725 VanDerWaalsContact CB-NE2 3.34Å; H691-Q725 PolarHBondContact CE1-OE1 3.5Å; H691-Q725 VanDerWaalsContact ND1-CD 3.3Å; H691-Q725 PolarHBondContact ND1-OE1 3.19Å; A721-Q725 PolarHBondContact O-N 3.1Å; A721-Q725 VanDerWaalsContact O-N 3.13Å; S722-Q725 PolarHBondContact O-N 3.4Å; R723-Q725 VanDerWaalsContact C-N 3.34Å; R723-Q725 PolarHBondContact O-N 2.9Å; Q725-C728 PolarHBondContact O-N 3.49Å; Q725-R729 WeakPolarHBondContact O-CB 3.39Å; Q725-R729 VanDerWaalsContact O-CG 3.29Å; Q725-R729 WeakPolarHBondContact O-CG 3.25Å; Q725-R729 PolarHBondContact O-N 3.37Å
726V92.5Very high84.7Confident88 Ų8861.1 Ų61.153%0.53334%0.341SS..Hα-helixtrans-62.7-42.7176.7173.60000111S722 R723S722-V726 WeakPolarHBondContact O-CG2 3.49Å; S722-V726 PolarHBondContact O-N 2.89Å; S722-V726 VanDerWaalsContact O-N 3.12Å; R723-V726 PolarHBondContact O-N 3.36Å
727E91.2Very high83.3Confident24 Ų2461.8 Ų61.811%0.11236%0.363CS..Hα-helixtrans-64.3-51.1173.9-65.2-50.1133.300111.5R723 L724 R729 K730 L746 Q749 V750R723-E727 WeakPolarHBondContact O-CG 3.07Å; R723-E727 PolarHBondContact O-N 3.43Å; L724-E727 PolarHBondContact O-N 2.9Å; E727-R729 PolarHBondContact O-N 3.09Å; E727-R729 VanDerWaalsContact O-N 3.17Å; E727-K730 VanDerWaalsContact O-CB 3.29Å; E727-K730 WeakPolarHBondContact O-CB 3.38Å; E727-K730 PolarHBondContact O-N 3.1Å; E727-K730 WeakPolarHBondContact OE1-CE 3.36Å; E727-K730 IonicContact OE1-NZ 2.94Å; E727-K730 PolarHBondContact OE1-NZ 2.82Å; E727-K730 VanDerWaalsContact OE2-CE 3.29Å; E727-K730 WeakPolarHBondContact OE2-CE 3.35Å; E727-K730 IonicContact OE2-NZ 3.15Å; E727-K730 PolarHBondContact OE2-NZ 2.67Å; E727-L746 HydrophobicContact CB-CD1 4.32Å; E727-L746 VanDerWaalsContact O-CD1 3.29Å; E727-L746 WeakPolarHBondContact O-CD1 3.39Å; E727-Q749 HydrophobicContact CG-CB 4.42Å; E727-Q749 PolarHBondContact OE2-OE1 2.95Å; E727-V750 HydrophobicContact CB-CG2 4.02Å
728C90.9Very high81.9Confident0 Ų064.2 Ų64.20%038%0.383CS..Hα-helixtrans-60.2-30.6-179.2-67.50000113F683 V684 L724 Q725 K730 A731F683-C728 HydrophobicContact CB-CB 3.98Å; V684-C728 HydrophobicContact CG2-CB 4.45Å; V684-C728 VanDerWaalsContact CG2-O 3.24Å; V684-C728 WeakPolarHBondContact CG2-O 3.17Å; L724-C728 VanDerWaalsContact CD1-SG 3.6Å; L724-C728 WeakPolarHBondContact O-CB 3.46Å; L724-C728 PolarHBondContact O-N 3.49Å; L724-C728 PolarHBondContact O-SG 2.81Å; Q725-C728 PolarHBondContact O-N 3.49Å; C728-K730 VanDerWaalsContact C-N 3.27Å; C728-K730 PolarHBondContact O-N 3.44Å; C728-A731 WeakPolarHBondContact O-CB 3.35Å; C728-A731 PolarHBondContact O-N 3.42Å; C728-A731 VanDerWaalsContact O-N 3.09Å
729R88.9Confident80.7Confident153 Ų15367.7 Ų67.758%0.57740%0.402SS*.Hα-helixtrans-65.9-23.2173.3-76.8174.3-178.8-169.20.6113.9V684 Q725 E727 A731 A732V684-R729 HydrophobicContact CG2-CG 4.43Å; Q725-R729 WeakPolarHBondContact O-CB 3.39Å; Q725-R729 VanDerWaalsContact O-CG 3.29Å; Q725-R729 WeakPolarHBondContact O-CG 3.25Å; Q725-R729 PolarHBondContact O-N 3.37Å; E727-R729 PolarHBondContact O-N 3.09Å; E727-R729 VanDerWaalsContact O-N 3.17Å; R729-A731 PolarHBondContact O-N 3.14Å; R729-A732 WeakPolarHBondContact O-CB 3.49Å; R729-A732 PolarHBondContact O-N 2.92Å
730K87.6Confident79.7Confident92 Ų9269.7 Ų69.740%0.442%0.423SS..THydrogen-bonded Turntrans-70-13171.7-55.5176.1-167.4167.80113E727 C728 A732 L746E727-K730 VanDerWaalsContact O-CB 3.29Å; E727-K730 WeakPolarHBondContact O-CB 3.38Å; E727-K730 PolarHBondContact O-N 3.1Å; E727-K730 WeakPolarHBondContact OE1-CE 3.36Å; E727-K730 IonicContact OE1-NZ 2.94Å; E727-K730 PolarHBondContact OE1-NZ 2.82Å; E727-K730 VanDerWaalsContact OE2-CE 3.29Å; E727-K730 WeakPolarHBondContact OE2-CE 3.35Å; E727-K730 IonicContact OE2-NZ 3.15Å; E727-K730 PolarHBondContact OE2-NZ 2.67Å; C728-K730 VanDerWaalsContact C-N 3.27Å; C728-K730 PolarHBondContact O-N 3.44Å; K730-A732 VanDerWaalsContact C-N 3.35Å; K730-L746 HydrophobicContact CB-CD1 4.1Å; K730-L746 HydrophobicContact CB-CD2 4.21Å; K730-L746 HydrophobicContact CD-CD1 4.47Å
731A81Confident79Confident4 Ų471.8 Ų71.83%0.03344%0.436CS..THydrogen-bonded Turntrans-80.2-15.6173.600000113.2H680 F683 C728 R729 L746H680-A731 HydrophobicContact CB-CB 4.23Å; F683-A731 HydrophobicContact CB-CB 4.21Å; F683-A731 HydrophobicContact CD2-CB 4.05Å; F683-A731 HydrophobicContact CG-CB 4.42Å; C728-A731 WeakPolarHBondContact O-CB 3.35Å; C728-A731 PolarHBondContact O-N 3.42Å; C728-A731 VanDerWaalsContact O-N 3.09Å; R729-A731 PolarHBondContact O-N 3.14Å; A731-L746 HydrophobicContact CB-CD2 4.03Å
732A78.1Confident78.7Confident44 Ų4476.2 Ų76.236%0.36446%0.459SS..SBendtrans-73.7152-178.600000111.9R729 K730 S734R729-A732 WeakPolarHBondContact O-CB 3.49Å; R729-A732 PolarHBondContact O-N 2.92Å; K730-A732 VanDerWaalsContact C-N 3.35Å; A732-S734 PolarHBondContact O-N 3.36Å
733P67.3Low78.2Confident123 Ų12378.4 Ų78.480%0.79946%0.46SS*.PPolyproline II helixtrans-58.6120.1174.8-23.334.1000111.5
734S62.3Low77.8Confident73 Ų7381.3 Ų81.351%0.5148%0.478SS..PPolyproline II helixtrans-92.7156.8179.249.40000112.1A732 A738A732-S734 PolarHBondContact O-N 3.36Å; S734-A738 WeakPolarHBondContact OG-CB 3.35Å
735E58.6Low77.4Confident173 Ų17385 Ų8581%0.80850%0.497SS*.PPolyproline II helixtrans-63.8152.9179.8-73.1-156.4158.200113G737 A738E735-G737 PolarHBondContact O-N 2.87Å; E735-A738 PolarHBondContact O-N 3.35Å; E735-A738 VanDerWaalsContact O-N 3.16Å
736P49.1Very low77.2Confident142 Ų14283.5 Ų83.592%0.92249%0.49SS*.THydrogen-bonded Turntrans-63.591.4-178.626.7-36.1000112.3
737G60.7Low77Confident79 Ų7979.9 Ų79.981%0.81447%0.468SS*.THydrogen-bonded Turntrans154.9-16.5-176.300000113.8E735E735-G737 PolarHBondContact O-N 2.87Å
738A62Low77.1Confident51 Ų5185.2 Ų85.242%0.42149%0.493SS..SBendtrans-67.3148.7175.400000112.9S734 E735S734-A738 WeakPolarHBondContact OG-CB 3.35Å; E735-A738 PolarHBondContact O-N 3.35Å; E735-A738 VanDerWaalsContact O-N 3.16Å
739P67.3Low77.1Confident117 Ų11788.6 Ų88.676%0.7651%0.509SS*.PPolyproline II helixtrans-65149.5171.828.8-35000111.3V741P739-V741 PolarHBondContact O-N 3.1Å
740A71.4Confident77.3Confident105 Ų10581.4 Ų81.487%0.86848%0.482SS*.PPolyproline II helixtrans-60.9129.6179.900000111.7
741V80Confident77.5Confident46 Ų4680.4 Ų80.428%0.27948%0.48SS..PPolyproline II helixtrans-76.9123.5-179.1178.50000110P739 Y743 L746P739-V741 PolarHBondContact O-N 3.1Å; V741-Y743 HydrophobicContact CB-CD2 4.39Å; V741-Y743 HydrophobicContact CB-CE2 4.05Å; V741-Y743 HydrophobicContact CG1-CD1 4.38Å; V741-Y743 HydrophobicContact CG1-CD2 4.42Å; V741-Y743 HydrophobicContact CG1-CE1 4.33Å; V741-Y743 HydrophobicContact CG1-CE2 4.37Å; V741-Y743 HydrophobicContact CG1-CG 4.42Å; V741-Y743 VanDerWaalsContact O-CD2 3.24Å; V741-Y743 WeakPolarHBondContact O-CD2 3.47Å; V741-Y743 PolarHBondContact O-N 3.5Å; V741-L746 HydrophobicContact CG1-CD2 3.75Å
742D86.1Confident78Confident94 Ų9484.9 Ų84.950%0.50350%0.5SS..  trans-74.792166.6-176.8-16.2000109.2Q744 L745 L746D742-Q744 PolarHBondContact O-N 3.01Å; D742-Q744 WeakPolarHBondContact OD1-CA 3.49Å; D742-Q744 WeakPolarHBondContact OD1-CB 3.47Å; D742-Q744 PolarHBondContact OD1-N 3.48Å; D742-L745 HydrophobicContact CB-CB 4.02Å; D742-L745 VanDerWaalsContact CG-CB 3.47Å; D742-L745 PolarHBondContact O-N 3.04Å; D742-L745 PolarHBondContact OD1-N 3.29Å; D742-L745 WeakPolarHBondContact OD2-CB 3.45Å; D742-L746 WeakPolarHBondContact O-CB 3.49Å; D742-L746 PolarHBondContact O-N 3.41Å
743Y84.5Confident78.8Confident101 Ų10182.9 Ų82.940%0.39648%0.484SS..Hα-helixtrans-62.1-23.2178-72.6-81.8000113.4H680 V741 L746 T747H680-Y743 HydrophobicContact CB-CD1 4.19Å; H680-Y743 HydrophobicContact CB-CE1 4.06Å; H680-Y743 AromaticContact CD2-CD1 3.41Å; H680-Y743 VanDerWaalsContact CD2-CD1 3.41Å; H680-Y743 WeakPolarHBondContact CD2-CD1 3.4Å; H680-Y743 AromaticContact CD2-CE1 3.93Å; H680-Y743 AromaticContact CE1-CD1 4Å; H680-Y743 AromaticContact CG-CD1 3.55Å; H680-Y743 AromaticContact CG-CE1 3.92Å; H680-Y743 AromaticContact ND1-CD1 3.91Å; H680-Y743 AromaticContact NE2-CD1 3.72Å; V741-Y743 HydrophobicContact CB-CD2 4.39Å; V741-Y743 HydrophobicContact CB-CE2 4.05Å; V741-Y743 HydrophobicContact CG1-CD1 4.38Å; V741-Y743 HydrophobicContact CG1-CD2 4.42Å; V741-Y743 HydrophobicContact CG1-CE1 4.33Å; V741-Y743 HydrophobicContact CG1-CE2 4.37Å; V741-Y743 HydrophobicContact CG1-CG 4.42Å; V741-Y743 VanDerWaalsContact O-CD2 3.24Å; V741-Y743 WeakPolarHBondContact O-CD2 3.47Å; V741-Y743 PolarHBondContact O-N 3.5Å; Y743-L746 HydrophobicContact CD1-CD2 4.35Å; Y743-T747 VanDerWaalsContact O-CB 3.27Å; Y743-T747 WeakPolarHBondContact O-CB 3.46Å; Y743-T747 PolarHBondContact O-N 2.74Å; Y743-T747 PolarHBondContact O-OG1 3.18Å
744Q84.8Confident80Confident164 Ų16477.1 Ų77.177%0.76645%0.446SS*.Hα-helixtrans-77.1-48.9178.1-176.7174.5-29.500110.6D742 T747 Q748D742-Q744 PolarHBondContact O-N 3.01Å; D742-Q744 WeakPolarHBondContact OD1-CA 3.49Å; D742-Q744 WeakPolarHBondContact OD1-CB 3.47Å; D742-Q744 PolarHBondContact OD1-N 3.48Å; Q744-T747 PolarHBondContact O-N 2.66Å; Q744-Q748 PolarHBondContact O-N 3.14Å; Q744-Q748 VanDerWaalsContact O-N 3.09Å
745L87.8Confident81.5Confident76 Ų7680.9 Ų80.940%0.39845%0.45SS..Hα-helixtrans-62.1-43.2173.5179.461.3000111.5D742 T747 Q748 Q749D742-L745 HydrophobicContact CB-CB 4.02Å; D742-L745 VanDerWaalsContact CG-CB 3.47Å; D742-L745 PolarHBondContact O-N 3.04Å; D742-L745 PolarHBondContact OD1-N 3.29Å; D742-L745 WeakPolarHBondContact OD2-CB 3.45Å; L745-T747 PolarHBondContact O-N 3.29Å; L745-Q748 WeakPolarHBondContact O-CB 3.4Å; L745-Q748 PolarHBondContact O-N 2.98Å; L745-Q749 HydrophobicContact CD1-CG 4.47Å; L745-Q749 WeakPolarHBondContact O-CG 3.19Å; L745-Q749 PolarHBondContact O-N 3.32Å
746L88.8Confident83.1Confident4 Ų474 Ų742%0.02142%0.419CS..Hα-helixtrans-58.3-45.8175.4173.257.5000111.6E727 K730 A731 V741 D742 Y743 Q748 Q749 V750E727-L746 HydrophobicContact CB-CD1 4.32Å; E727-L746 VanDerWaalsContact O-CD1 3.29Å; E727-L746 WeakPolarHBondContact O-CD1 3.39Å; K730-L746 HydrophobicContact CB-CD1 4.1Å; K730-L746 HydrophobicContact CB-CD2 4.21Å; K730-L746 HydrophobicContact CD-CD1 4.47Å; A731-L746 HydrophobicContact CB-CD2 4.03Å; V741-L746 HydrophobicContact CG1-CD2 3.75Å; D742-L746 WeakPolarHBondContact O-CB 3.49Å; D742-L746 PolarHBondContact O-N 3.41Å; Y743-L746 HydrophobicContact CD1-CD2 4.35Å; L746-Q748 VanDerWaalsContact C-N 3.31Å; L746-Q748 PolarHBondContact O-N 3.49Å; L746-Q749 PolarHBondContact O-N 3.49Å; L746-V750 HydrophobicContact CD1-CG2 4.02Å; L746-V750 WeakPolarHBondContact O-CB 3.34Å; L746-V750 WeakPolarHBondContact O-CG2 3.33Å; L746-V750 PolarHBondContact O-N 3.41Å
747T89.8Confident85.2Confident13 Ų1367.3 Ų67.38%0.0838%0.376CS..Hα-helixtrans-63-38.7178.1-60.30000111.5A675 H680 F683 Y743 Q744 L745 V750 I751A675-T747 HydrophobicContact CB-CG2 3.9Å; H680-T747 PolarHBondContact CE1-OG1 3.06Å; F683-T747 HydrophobicContact CZ-CG2 4.47Å; Y743-T747 VanDerWaalsContact O-CB 3.27Å; Y743-T747 WeakPolarHBondContact O-CB 3.46Å; Y743-T747 PolarHBondContact O-N 2.74Å; Y743-T747 PolarHBondContact O-OG1 3.18Å; Q744-T747 PolarHBondContact O-N 2.66Å; L745-T747 PolarHBondContact O-N 3.29Å; T747-V750 PolarHBondContact O-N 3.02Å; T747-I751 HydrophobicContact CG2-CD1 3.91Å; T747-I751 WeakPolarHBondContact O-CB 3.34Å; T747-I751 WeakPolarHBondContact O-CD1 3.25Å; T747-I751 VanDerWaalsContact O-CG1 3.22Å; T747-I751 WeakPolarHBondContact O-CG1 3.37Å; T747-I751 PolarHBondContact O-N 3.44Å
748Q91.3Very high86.7Confident136 Ų13665 Ų6564%0.63635%0.349SS*.Hα-helixtrans-63.3-43.1173.8-168.8178.621.500112.1Q744 L745 L746 I751 Q752Q744-Q748 PolarHBondContact O-N 3.14Å; Q744-Q748 VanDerWaalsContact O-N 3.09Å; L745-Q748 WeakPolarHBondContact O-CB 3.4Å; L745-Q748 PolarHBondContact O-N 2.98Å; L746-Q748 VanDerWaalsContact C-N 3.31Å; L746-Q748 PolarHBondContact O-N 3.49Å; Q748-I751 PolarHBondContact O-N 3.04Å; Q748-Q752 PolarHBondContact O-N 3.18Å
749Q91Very high88.1Confident71 Ų7168.1 Ų68.133%0.33235%0.353SS..Hα-helixtrans-65.5-40.7178.1-71.8170.9-11.800112.2E727 L745 L746 Q752 C753E727-Q749 HydrophobicContact CG-CB 4.42Å; E727-Q749 PolarHBondContact OE2-OE1 2.95Å; L745-Q749 HydrophobicContact CD1-CG 4.47Å; L745-Q749 WeakPolarHBondContact O-CG 3.19Å; L745-Q749 PolarHBondContact O-N 3.32Å; L746-Q749 PolarHBondContact O-N 3.49Å; Q749-Q752 PolarHBondContact O-N 3.42Å; Q749-C753 PolarHBondContact O-N 3.09Å; Q749-C753 PolarHBondContact O-SG 2.98Å
750V93Very high89.2Confident1 Ų162.5 Ų62.51%0.00632%0.317CS..Hα-helixtrans-62.6-45.4173.9166.90000111.5L671 F683 L724 E727 L746 T747 Q752 C753 A754L671-V750 HydrophobicContact CD1-CG1 3.86Å; L671-V750 HydrophobicContact CD2-CG1 3.93Å; L671-V750 HydrophobicContact CG-CG1 4.07Å; F683-V750 HydrophobicContact CD2-CG1 4.29Å; F683-V750 HydrophobicContact CD2-CG2 4.02Å; F683-V750 HydrophobicContact CE2-CB 4.39Å; F683-V750 HydrophobicContact CE2-CG1 4.26Å; F683-V750 HydrophobicContact CE2-CG2 4.14Å; L724-V750 HydrophobicContact CD1-CG1 4.01Å; E727-V750 HydrophobicContact CB-CG2 4.02Å; L746-V750 HydrophobicContact CD1-CG2 4.02Å; L746-V750 WeakPolarHBondContact O-CB 3.34Å; L746-V750 WeakPolarHBondContact O-CG2 3.33Å; L746-V750 PolarHBondContact O-N 3.41Å; T747-V750 PolarHBondContact O-N 3.02Å; V750-Q752 PolarHBondContact O-N 2.73Å; V750-C753 PolarHBondContact O-N 3.05Å; V750-A754 PolarHBondContact O-N 3.34Å
751I92.8Very high90.1Very high72 Ų7257.5 Ų57.537%0.36928%0.275SS..Hα-helixtrans-62.1-42.6176.1-69.8166.4000111.2L672 A675 T747 Q748 A754 Y755L672-I751 HydrophobicContact CD2-CB 4.35Å; L672-I751 HydrophobicContact CD2-CG1 3.88Å; L672-I751 HydrophobicContact CD2-CG2 4.16Å; A675-I751 HydrophobicContact CB-CD1 4.34Å; A675-I751 HydrophobicContact CB-CG1 4.28Å; T747-I751 HydrophobicContact CG2-CD1 3.91Å; T747-I751 WeakPolarHBondContact O-CB 3.34Å; T747-I751 WeakPolarHBondContact O-CD1 3.25Å; T747-I751 VanDerWaalsContact O-CG1 3.22Å; T747-I751 WeakPolarHBondContact O-CG1 3.37Å; T747-I751 PolarHBondContact O-N 3.44Å; Q748-I751 PolarHBondContact O-N 3.04Å; I751-A754 PolarHBondContact O-N 3.2Å; I751-Y755 PolarHBondContact O-N 2.86Å
752Q92.4Very high90.7Very high97 Ų9762.5 Ų62.545%0.45329%0.293SS..Hα-helixtrans-63.1-43.8177.8-174.461.753.700111.8Q748 Q749 V750 A754 Y755 D756Q748-Q752 PolarHBondContact O-N 3.18Å; Q749-Q752 PolarHBondContact O-N 3.42Å; V750-Q752 PolarHBondContact O-N 2.73Å; Q752-A754 VanDerWaalsContact C-N 3.31Å; Q752-A754 PolarHBondContact O-N 3.4Å; Q752-Y755 PolarHBondContact O-N 3.13Å; Q752-D756 PolarHBondContact NE2-OD1 3.37Å; Q752-D756 VanDerWaalsContact O-CG 3.29Å; Q752-D756 PolarHBondContact O-N 3.43Å
753C93.3Very high90.8Very high3 Ų361.9 Ų61.92%0.0229%0.287CS..Hα-helixtrans-62-39.5176.2-60.60000111.9R723 L724 Q749 V750 Y755 D756 I757R723-C753 PolarHBondContact NE-SG 3Å; R723-C753 PolarHBondContact NH2-SG 3.33Å; L724-C753 HydrophobicContact CB-CB 3.86Å; L724-C753 HydrophobicContact CD1-CB 3.94Å; L724-C753 HydrophobicContact CG-CB 4.45Å; Q749-C753 PolarHBondContact O-N 3.09Å; Q749-C753 PolarHBondContact O-SG 2.98Å; V750-C753 PolarHBondContact O-N 3.05Å; C753-Y755 VanDerWaalsContact C-N 3.35Å; C753-Y755 PolarHBondContact O-N 2.82Å; C753-D756 PolarHBondContact O-N 2.94Å; C753-I757 WeakPolarHBondContact O-CD1 3.43Å; C753-I757 VanDerWaalsContact O-CG1 3.25Å; C753-I757 WeakPolarHBondContact O-CG1 3.23Å; C753-I757 PolarHBondContact O-N 3.03Å; C753-I757 VanDerWaalsContact O-N 3.11Å
754A93.1Very high90.9Very high1 Ų157 Ų571%0.00827%0.268CS..Hα-helixtrans-63.6-38175.400000112.7I668 L671 L672 V750 I751 Q752 A758I668-A754 HydrophobicContact CG2-CB 4.13Å; L671-A754 HydrophobicContact CD2-CB 4.13Å; L672-A754 HydrophobicContact CD2-CB 4.34Å; V750-A754 PolarHBondContact O-N 3.34Å; I751-A754 PolarHBondContact O-N 3.2Å; Q752-A754 VanDerWaalsContact C-N 3.31Å; Q752-A754 PolarHBondContact O-N 3.4Å; A754-A758 PolarHBondContact O-N 3.13Å; A754-A758 VanDerWaalsContact O-N 3.12Å
755Y93.6Very high91.1Very high152 Ų15250.5 Ų50.560%0.59624%0.24SC*.Hα-helixtrans-66.5-43.2174.3-176.8-100.4000112.6I751 Q752 C753 I757 A758 K759I751-Y755 PolarHBondContact O-N 2.86Å; Q752-Y755 PolarHBondContact O-N 3.13Å; C753-Y755 VanDerWaalsContact C-N 3.35Å; C753-Y755 PolarHBondContact O-N 2.82Å; Y755-I757 VanDerWaalsContact C-N 3.34Å; Y755-I757 PolarHBondContact O-N 2.95Å; Y755-A758 PolarHBondContact O-N 2.6Å; Y755-K759 WeakPolarHBondContact O-CB 3.18Å; Y755-K759 PolarHBondContact O-N 3.46Å
756D92.6Very high91Very high30 Ų3049.6 Ų49.616%0.1624%0.237CC..Hα-helixtrans-62.6-39.9178.9-65.9-10.5000111.7R723 Q752 C753 K759 A760R723-D756 IonicContact CZ-OD2 3.31Å; R723-D756 IonicContact NH1-OD2 2.97Å; R723-D756 IonicContact NH2-OD2 3.31Å; R723-D756 PolarHBondContact NH2-OD2 2.92Å; Q752-D756 PolarHBondContact NE2-OD1 3.37Å; Q752-D756 VanDerWaalsContact O-CG 3.29Å; Q752-D756 PolarHBondContact O-N 3.43Å; C753-D756 PolarHBondContact O-N 2.94Å; D756-K759 PolarHBondContact O-N 3.08Å; D756-A760 PolarHBondContact O-N 3.06Å
757I93.1Very high90.7Very high0 Ų050.7 Ų50.70%024%0.243CC..Hα-helixtrans-63.6-47.3173.7-63164000110.6V664 I668 I690 V694 L717 A721 L724 C753 Y755 K759 A760 A761V664-I757 HydrophobicContact CG1-CG2 3.77Å; I668-I757 HydrophobicContact CD1-CB 4.12Å; I668-I757 HydrophobicContact CD1-CG2 3.84Å; I690-I757 HydrophobicContact CG2-CD1 3.85Å; I690-I757 HydrophobicContact CG2-CG2 4.44Å; V694-I757 HydrophobicContact CG2-CG2 4Å; L717-I757 HydrophobicContact CD1-CG2 3.7Å; L717-I757 WeakPolarHBondContact CD1-O 3.46Å; A721-I757 HydrophobicContact CB-CD1 4.23Å; L724-I757 HydrophobicContact CB-CD1 4.19Å; L724-I757 HydrophobicContact CD2-CD1 3.66Å; C753-I757 WeakPolarHBondContact O-CD1 3.43Å; C753-I757 VanDerWaalsContact O-CG1 3.25Å; C753-I757 WeakPolarHBondContact O-CG1 3.23Å; C753-I757 PolarHBondContact O-N 3.03Å; C753-I757 VanDerWaalsContact O-N 3.11Å; Y755-I757 VanDerWaalsContact C-N 3.34Å; Y755-I757 PolarHBondContact O-N 2.95Å; I757-K759 VanDerWaalsContact C-N 3.3Å; I757-K759 PolarHBondContact O-N 2.94Å; I757-A760 PolarHBondContact O-N 3.3Å; I757-A761 WeakPolarHBondContact O-CB 3.19Å; I757-A761 PolarHBondContact O-N 2.82Å
758A92.6Very high90.2Very high30 Ų3050.2 Ų50.225%0.24824%0.24CC..Hα-helixtrans-62-36.8178.300000112.6I668 A754 Y755 K762I668-A758 HydrophobicContact CD1-CB 4.15Å; A754-A758 PolarHBondContact O-N 3.13Å; A754-A758 VanDerWaalsContact O-N 3.12Å; Y755-A758 PolarHBondContact O-N 2.6Å; A758-K762 WeakPolarHBondContact O-CB 3.43Å; A758-K762 PolarHBondContact O-N 3.33Å; A758-K762 VanDerWaalsContact O-N 3.08Å
759K91.5Very high89.5Confident117 Ų11746.4 Ų46.451%0.50923%0.226SC..Hα-helixtrans-63.4-49.8174.2-173.6-176177.9-175.80111.2Y755 D756 I757 K762 Q763Y755-K759 WeakPolarHBondContact O-CB 3.18Å; Y755-K759 PolarHBondContact O-N 3.46Å; D756-K759 PolarHBondContact O-N 3.08Å; I757-K759 VanDerWaalsContact C-N 3.3Å; I757-K759 PolarHBondContact O-N 2.94Å; K759-K762 PolarHBondContact O-N 3.07Å; K759-Q763 WeakPolarHBondContact O-CG 3.49Å; K759-Q763 PolarHBondContact O-N 3.38Å
760A90.3Very high88.4Confident0 Ų051.4 Ų51.40%024%0.242CC..Hα-helixtrans-63.5-42.6179.700000112.7L716 L717 D756 I757 K762 Q763 L764L716-A760 HydrophobicContact CB-CB 4.29Å; L716-A760 HydrophobicContact CD2-CB 4.09Å; L716-A760 HydrophobicContact CG-CB 4.05Å; L717-A760 HydrophobicContact CB-CB 3.97Å; L717-A760 HydrophobicContact CD1-CB 3.89Å; D756-A760 PolarHBondContact O-N 3.06Å; I757-A760 PolarHBondContact O-N 3.3Å; A760-K762 PolarHBondContact O-N 3.32Å; A760-Q763 WeakPolarHBondContact O-CB 3.34Å; A760-Q763 PolarHBondContact O-N 2.9Å; A760-L764 PolarHBondContact O-N 3.08Å
761A90.8Very high86.8Confident0 Ų054.1 Ų54.10%025%0.254CS..Hα-helixtrans-63.1-42.3176.800000111.7T661 M697 L717 I757 Q763 L764 V765T661-A761 HydrophobicContact CG2-CB 3.98Å; M697-A761 HydrophobicContact CE-CB 4.14Å; M697-A761 HydrophobicContact SD-CB 4.17Å; L717-A761 HydrophobicContact CD1-CB 3.94Å; I757-A761 WeakPolarHBondContact O-CB 3.19Å; I757-A761 PolarHBondContact O-N 2.82Å; A761-Q763 VanDerWaalsContact C-N 3.32Å; A761-Q763 PolarHBondContact O-N 3.19Å; A761-L764 PolarHBondContact O-N 3.46Å; A761-V765 PolarHBondContact O-N 3.15Å; A761-V765 VanDerWaalsContact O-N 3.1Å
762K90.9Very high84.9Confident151 Ų15157.4 Ų57.466%0.65727%0.266SS*.Hα-helixtrans-62.5-36.8173.4-175.4-178.6176.8-173.70112.5A758 K759 A760 V765 T766A758-K762 WeakPolarHBondContact O-CB 3.43Å; A758-K762 PolarHBondContact O-N 3.33Å; A758-K762 VanDerWaalsContact O-N 3.08Å; K759-K762 PolarHBondContact O-N 3.07Å; A760-K762 PolarHBondContact O-N 3.32Å; K762-V765 PolarHBondContact O-N 3.03Å; K762-T766 WeakPolarHBondContact O-CB 3.42Å; K762-T766 PolarHBondContact O-N 2.8Å; K762-T766 PolarHBondContact O-OG1 3.02Å
763Q88.6Confident82.6Confident80 Ų8061.5 Ų61.537%0.37428%0.282SS..Hα-helixtrans-64.4-43175.4-72.9175.7-83.100111.3K759 A760 A761 V765 T766 I767K759-Q763 WeakPolarHBondContact O-CG 3.49Å; K759-Q763 PolarHBondContact O-N 3.38Å; A760-Q763 WeakPolarHBondContact O-CB 3.34Å; A760-Q763 PolarHBondContact O-N 2.9Å; A761-Q763 VanDerWaalsContact C-N 3.32Å; A761-Q763 PolarHBondContact O-N 3.19Å; Q763-V765 PolarHBondContact O-N 3.25Å; Q763-T766 WeakPolarHBondContact O-CB 3.15Å; Q763-T766 PolarHBondContact O-N 3.48Å; Q763-T766 VanDerWaalsContact O-N 3.09Å; Q763-I767 WeakPolarHBondContact O-CG1 3.46Å; Q763-I767 PolarHBondContact O-N 3.37Å
764L87.3Confident80Confident0 Ų072 Ų720%033%0.331CS..Hα-helixtrans-58.7-47.9174.7-70.3166.5000112.1V657 M697 F701 V710 L714 L717 A760 A761 T766 I767 T768V657-L764 HydrophobicContact CG1-CB 4.47Å; M697-L764 HydrophobicContact CE-CB 3.91Å; M697-L764 HydrophobicContact CE-CD1 3.78Å; F701-L764 HydrophobicContact CE1-CD2 4.37Å; F701-L764 HydrophobicContact CZ-CB 4.47Å; F701-L764 HydrophobicContact CZ-CD2 4.06Å; V710-L764 HydrophobicContact CG1-CD2 4Å; L714-L764 HydrophobicContact CD2-CD1 3.84Å; L714-L764 HydrophobicContact CD2-CD2 4.31Å; L714-L764 HydrophobicContact CG-CD1 4.36Å; L714-L764 HydrophobicContact CG-CD2 4.07Å; L717-L764 HydrophobicContact CD2-CD1 4.03Å; A760-L764 PolarHBondContact O-N 3.08Å; A761-L764 PolarHBondContact O-N 3.46Å; L764-T766 VanDerWaalsContact C-N 3.27Å; L764-T766 PolarHBondContact O-N 3.2Å; L764-I767 PolarHBondContact O-N 3.02Å; L764-T768 PolarHBondContact O-N 2.91Å; L764-T768 PolarHBondContact O-OG1 3.08Å
765V87.9Confident79.4Confident27 Ų2775.6 Ų75.616%0.16435%0.347CS..Hα-helixtrans-58.2-39.8173.6175.30000111.6V657 I658 T661 A761 K762 Q763 I767 T768 T769V657-V765 HydrophobicContact CG1-CG2 4.2Å; I658-V765 HydrophobicContact CG1-CG1 3.86Å; I658-V765 HydrophobicContact CG1-CG2 4.32Å; T661-V765 HydrophobicContact CG2-CG2 3.83Å; T661-V765 WeakPolarHBondContact OG1-CG2 3.42Å; A761-V765 PolarHBondContact O-N 3.15Å; A761-V765 VanDerWaalsContact O-N 3.1Å; K762-V765 PolarHBondContact O-N 3.03Å; Q763-V765 PolarHBondContact O-N 3.25Å; V765-I767 VanDerWaalsContact C-N 3.32Å; V765-I767 PolarHBondContact O-N 3.13Å; V765-T768 PolarHBondContact O-OG1 3.46Å; V765-T769 HydrophobicContact CG1-CG2 4.18Å; V765-T769 WeakPolarHBondContact O-CB 3.28Å; V765-T769 VanDerWaalsContact O-CG2 3.28Å; V765-T769 WeakPolarHBondContact O-CG2 3Å; V765-T769 PolarHBondContact O-N 3.11Å; V765-T769 PolarHBondContact O-OG1 3.39Å
766T86.2Confident78.6Confident57 Ų5771.5 Ų71.535%0.3533%0.334SS..Hα-helixtrans-67.9-30.5-179.3-53.50000112.4K762 Q763 L764 T769 R770K762-T766 WeakPolarHBondContact O-CB 3.42Å; K762-T766 PolarHBondContact O-N 2.8Å; K762-T766 PolarHBondContact O-OG1 3.02Å; Q763-T766 WeakPolarHBondContact O-CB 3.15Å; Q763-T766 PolarHBondContact O-N 3.48Å; Q763-T766 VanDerWaalsContact O-N 3.09Å; L764-T766 VanDerWaalsContact C-N 3.27Å; L764-T766 PolarHBondContact O-N 3.2Å; T766-T769 WeakPolarHBondContact CA-OG1 3.21Å; T766-T769 PolarHBondContact O-OG1 3.43Å; T766-R770 WeakPolarHBondContact O-CD 3.33Å; T766-R770 VanDerWaalsContact O-CG 3.28Å; T766-R770 WeakPolarHBondContact O-CG 3.48Å
767I83.1Confident77.9Confident26 Ų2673.8 Ų73.813%0.13334%0.344CS..Hα-helixtrans-77.1-53.9176.1-63.4160.5000109.4V710 Q763 L764 V765 T769 R770 E771V710-I767 HydrophobicContact CG2-CB 4.44Å; V710-I767 HydrophobicContact CG2-CD1 4.31Å; V710-I767 HydrophobicContact CG2-CG2 3.6Å; Q763-I767 WeakPolarHBondContact O-CG1 3.46Å; Q763-I767 PolarHBondContact O-N 3.37Å; L764-I767 PolarHBondContact O-N 3.02Å; V765-I767 VanDerWaalsContact C-N 3.32Å; V765-I767 PolarHBondContact O-N 3.13Å; I767-T769 PolarHBondContact O-N 3.05Å; I767-R770 PolarHBondContact O-N 3.48Å; I767-E771 WeakPolarHBondContact CG2-OE1 3.42Å; I767-E771 PolarHBondContact O-N 3.2Å
768T78.6Confident77Confident4 Ų478.2 Ų78.23%0.02536%0.364CS..Hα-helixtrans-67-7.7-179.858.60000114.9L651 T654 F701 L764 V765L651-T768 HydrophobicContact CD1-CG2 4.44Å; T654-T768 WeakPolarHBondContact CG2-O 3.28Å; T654-T768 PolarHBondContact OG1-O 3.01Å; F701-T768 HydrophobicContact CE1-CG2 3.93Å; F701-T768 HydrophobicContact CZ-CG2 4.13Å; L764-T768 PolarHBondContact O-N 2.91Å; L764-T768 PolarHBondContact O-OG1 3.08Å; V765-T768 PolarHBondContact O-OG1 3.46Å
769T77.3Confident76Confident55 Ų5581.2 Ų81.234%0.33737%0.371SS..THydrogen-bonded Turntrans-98-12.6170.248.10000113.9T654 V765 T766 I767T654-T769 HydrophobicContact CG2-CG2 3.34Å; V765-T769 HydrophobicContact CG1-CG2 4.18Å; V765-T769 WeakPolarHBondContact O-CB 3.28Å; V765-T769 VanDerWaalsContact O-CG2 3.28Å; V765-T769 WeakPolarHBondContact O-CG2 3Å; V765-T769 PolarHBondContact O-N 3.11Å; V765-T769 PolarHBondContact O-OG1 3.39Å; T766-T769 WeakPolarHBondContact CA-OG1 3.21Å; T766-T769 PolarHBondContact O-OG1 3.43Å; I767-T769 PolarHBondContact O-N 3.05Å
770R67.8Low75Confident176 Ų17678.8 Ų78.866%0.66436%0.362SS*.THydrogen-bonded Turntrans-89.5-46.1175.7-78.4174171.3-149.3-6.5111.7T766 I767 K772 K773T766-R770 WeakPolarHBondContact O-CD 3.33Å; T766-R770 VanDerWaalsContact O-CG 3.28Å; T766-R770 WeakPolarHBondContact O-CG 3.48Å; I767-R770 PolarHBondContact O-N 3.48Å; R770-K772 PolarHBondContact O-N 3.05Å; R770-K772 VanDerWaalsContact O-N 3.08Å; R770-K773 WeakPolarHBondContact O-CB 3.37Å; R770-K773 PolarHBondContact O-N 3.22Å
771E59.6Low73.9Confident58 Ų5884.4 Ų84.427%0.27139%0.388SS..THydrogen-bonded Turntrans-70.6-1.9-179.8-69172.9-115.900113.9L651 L707 I767L651-E771 HydrophobicContact CD1-CB 4.09Å; L651-E771 HydrophobicContact CD1-CG 4.45Å; L651-E771 WeakPolarHBondContact CD1-OE2 3.3Å; L707-E771 WeakPolarHBondContact CD1-OE2 3.18Å; L707-E771 WeakPolarHBondContact CD2-OE1 3.45Å; I767-E771 WeakPolarHBondContact CG2-OE1 3.42Å; I767-E771 PolarHBondContact O-N 3.2Å
772K52Low72.6Confident141 Ų14190.9 Ų90.961%0.61342%0.418SS*.THydrogen-bonded Turntrans-98.118.7168.7-149.8178.3-171.7175.90112.8T654 R770T654-K772 WeakPolarHBondContact OG1-CD 3.45Å; R770-K772 PolarHBondContact O-N 3.05Å; R770-K772 VanDerWaalsContact O-N 3.08Å
773K43.8Very low71Confident184 Ų18485.9 Ų85.980%0.840%0.398SS*.  trans-136.82.5178.2-66.4-168.4169.5-160.80113.4R770R770-K773 WeakPolarHBondContact O-CB 3.37Å; R770-K773 PolarHBondContact O-N 3.22Å
774Q40.3Very low69.4Low223 Ų22386.5 Ų86.5100%1.04240%0.4SS*.  trans-105.10160-69.4177.8-49.700106.9

Retrieved 774 of 774 residues in 1569.9 ms (Link to these results)

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