A0A096NS93_PAPAN Loading...

Carbohydrate deacetylase

Probably catalyzes the deacetylation of acetylated carbohydrates an important step in the degradation of oligosaccharides.

AlphaFold DB , UniProt , Accession A0A096NS93, Species PAPAN (Papio anubis, Olive baboon), Gene YDJC, Length 323 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
1M50.1Low85.4Confident244 Ų24470 Ų70100%1.20233%0.331SS*.  0138.10-69.3177.3165.200108
2S66.1Low86.5Confident117 Ų11764.2 Ų64.282%0.81830%0.304SS*.PPolyproline II helixtrans-61.9143.6174.441.90000110.1
3R73.5Confident87.4Confident215 Ų21559.4 Ų59.481%0.81128%0.281SS*.PPolyproline II helixtrans-61.9142.7174.8-74.9-176.1176.8176.1-0.7109.8
4P79.8Confident88.1Confident26 Ų2655.4 Ų55.417%0.16926%0.262CS..PPolyproline II helixtrans-63.9145.9177.230.3-38.1000110.5R7 T237 Q292P4-R7 HydrophobicContact CG-CG 4.31Å; P4-T237 HydrophobicContact CG-CG2 4.07Å; P4-T237 WeakPolarHBondContact O-CB 3.1Å; P4-T237 WeakPolarHBondContact O-CG2 3.36Å; P4-T237 PolarHBondContact O-OG1 3.49Å; P4-Q292 HydrophobicContact CB-CB 3.73Å; P4-Q292 HydrophobicContact CG-CB 4.27Å
5R88.5Confident88.8Confident140 Ų14051.7 Ų51.753%0.52825%0.245SC..SBendtrans-78-34.5171.7-63-177.468.7-168.41.1111L229 L238 G290R5-L229 HydrophobicContact CB-CD2 4.33Å; R5-L238 PolarHBondContact O-N 3.28Å; R5-G290 PolarHBondContact N-O 2.95Å
6V93.6Very high89.4Confident2 Ų248.4 Ų48.41%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-135.1135.4179.1-176.90000109.7L8 L229 L238 A240 G290 V291 Q292V6-L8 HydrophobicContact CG1-CB 4.45Å; V6-L229 HydrophobicContact CG2-CD1 4.01Å; V6-L229 HydrophobicContact CG2-CD2 3.81Å; V6-L229 HydrophobicContact CG2-CG 4.09Å; V6-L238 CarbonylContact C-O 3.47Å; V6-L238 VanDerWaalsContact CA-O 3.32Å; V6-L238 WeakPolarHBondContact CA-O 3.37Å; V6-A240 HydrophobicContact CG1-CB 3.77Å; V6-G290 PolarHBondContact N-O 3.48Å; V6-V291 HydrophobicContact CB-CB 4.44Å; V6-V291 HydrophobicContact CB-CG1 4.11Å; V6-V291 HydrophobicContact CB-CG2 4.12Å; V6-V291 HydrophobicContact CG1-CG1 4.23Å; V6-V291 HydrophobicContact CG2-CG2 4.46Å; V6-V291 WeakPolarHBondContact O-CA 3.31Å; V6-Q292 PolarHBondContact O-N 3.13Å
7R95.6Very high89.8Confident23 Ų2345.6 Ų45.69%0.08722%0.216CC..EExtended strand (participates in β ladder)trans-98.9113.1162.8-68.8-179.379.9-1666.2107.6P4 T237 L238 T239 A240 Q292 D298 L299 K302P4-R7 HydrophobicContact CG-CG 4.31Å; R7-T237 HydrophobicContact CG-CG2 3.67Å; R7-L238 PolarHBondContact N-O 3.09Å; R7-T239 HydrophobicContact CB-CG2 4.49Å; R7-T239 CarbonylContact O-C 3.53Å; R7-T239 WeakPolarHBondContact O-CA 3.34Å; R7-A240 PolarHBondContact O-N 3.49Å; R7-Q292 CarbonylContact C-O 3.58Å; R7-Q292 VanDerWaalsContact CA-O 3.31Å; R7-Q292 WeakPolarHBondContact CA-O 3.41Å; R7-D298 VanDerWaalsContact CZ-O 3.29Å; R7-D298 PolarHBondContact NH1-O 3.35Å; R7-D298 PolarHBondContact NH2-O 2.9Å; R7-L299 HydrophobicContact CB-CD2 4.2Å; R7-K302 VanDerWaalsContact NH1-CD 3.34Å; R7-K302 VanDerWaalsContact NH1-CE 3.28Å
8L97.4Very high90.1Very high0 Ų043.2 Ų43.20%021%0.205CC..EExtended strand (participates in β ladder)trans-108123.3-172.4-179.766.5000110.3V6 V10 L225 A240 L242 L286 V291 Q292 L293 C294V6-L8 HydrophobicContact CG1-CB 4.45Å; L8-V10 HydrophobicContact CD2-CG2 3.97Å; L8-V10 HydrophobicContact CG-CG2 4.02Å; L8-L225 HydrophobicContact CD1-CD2 4.21Å; L8-L225 HydrophobicContact CD2-CD1 4.14Å; L8-A240 WeakPolarHBondContact CA-O 3.32Å; L8-A240 HydrophobicContact CD1-CB 3.82Å; L8-L242 HydrophobicContact CD1-CB 3.93Å; L8-L286 HydrophobicContact CD2-CD1 4.01Å; L8-L286 HydrophobicContact CD2-CD2 4.01Å; L8-V291 HydrophobicContact CB-CG1 3.5Å; L8-V291 VanDerWaalsContact CB-CG1 3.5Å; L8-V291 HydrophobicContact CD2-CG1 3.96Å; L8-V291 HydrophobicContact CG-CG1 4.36Å; L8-Q292 PolarHBondContact N-O 3.43Å; L8-L293 HydrophobicContact CB-CD2 4.25Å; L8-L293 HydrophobicContact CD2-CD2 3.99Å; L8-L293 HydrophobicContact CG-CD2 4.22Å; L8-L293 CarbonylContact O-C 3.58Å; L8-L293 VanDerWaalsContact O-CA 3.31Å; L8-L293 WeakPolarHBondContact O-CA 3.45Å; L8-C294 PolarHBondContact O-N 3.43Å
9V97.8Very high90.4Very high1 Ų144.6 Ų44.61%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-92.3130.4163.7179.90000106.9A240 E241 L242 L296 L299V9-A240 PolarHBondContact N-O 3.37Å; V9-E241 CarbonylContact O-C 3.49Å; V9-E241 WeakPolarHBondContact O-CA 3.37Å; V9-L242 PolarHBondContact O-N 3.13Å; V9-L296 HydrophobicContact CB-CG 4.47Å; V9-L296 HydrophobicContact CG1-CD1 3.87Å; V9-L296 HydrophobicContact CG1-CG 3.88Å; V9-L296 HydrophobicContact CG2-CG 4.01Å; V9-L299 HydrophobicContact CG2-CD1 3.89Å; V9-L299 HydrophobicContact CG2-CG 4.47Å
10V98.5Very high90.6Very high2 Ų248.5 Ų48.51%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-109.8111.9170.9-177.70000107.7L8 A33 V34 T35 S36 L242 L277 L293L8-V10 HydrophobicContact CD2-CG2 3.97Å; L8-V10 HydrophobicContact CG-CG2 4.02Å; V10-A33 VanDerWaalsContact CB-O 3.25Å; V10-A33 WeakPolarHBondContact CB-O 3.5Å; V10-A33 VanDerWaalsContact CG2-O 3.28Å; V10-A33 WeakPolarHBondContact CG2-O 3.46Å; V10-V34 HydrophobicContact CG1-CG2 4.11Å; V10-T35 PolarHBondContact N-OG1 3.21Å; V10-T35 PolarHBondContact O-N 3.29Å; V10-T35 PolarHBondContact O-OG1 3.47Å; V10-S36 PolarHBondContact O-N 3Å; V10-S36 VanDerWaalsContact O-N 3.08Å; V10-L242 CarbonylContact C-O 3.52Å; V10-L242 WeakPolarHBondContact CA-O 3.41Å; V10-L242 HydrophobicContact CG1-CD2 4.21Å; V10-L242 HydrophobicContact CG1-CG 4.39Å; V10-L242 HydrophobicContact CG2-CB 4.22Å; V10-L242 HydrophobicContact CG2-CD2 4.15Å; V10-L277 HydrophobicContact CG1-CD2 4.12Å; V10-L293 HydrophobicContact CG2-CD2 3.67Å
11T98.6Very high90.9Very high0 Ų046.2 Ų46.20%022%0.219CC..EExtended strand (participates in β ladder)trans-102.4120.5-177.4-52.50000109.1S36 S38 E241 L242 A244T11-S36 WeakPolarHBondContact CA-O 3.45Å; T11-S38 VanDerWaalsContact CG2-OG 3.27Å; T11-S38 WeakPolarHBondContact CG2-OG 3.36Å; T11-E241 WeakPolarHBondContact CB-OE1 3.47Å; T11-E241 PolarHBondContact OG1-OE1 2.76Å; T11-L242 PolarHBondContact N-O 3.37Å; T11-A244 PolarHBondContact O-N 3.16Å
12A98.6Very high93.1Very high0 Ų034.6 Ų34.60%016%0.162CC..EExtended strand (participates in β ladder)trans-91.1115.4170.300000110.1I25 V34 S36 V37 S38 A244 P246A12-I25 HydrophobicContact CB-CG1 4.25Å; A12-I25 HydrophobicContact CB-CG2 3.87Å; A12-V34 HydrophobicContact CB-CG1 3.77Å; A12-V34 HydrophobicContact CB-CG2 4.22Å; A12-S36 PolarHBondContact N-O 3.19Å; A12-V37 HydrophobicContact CB-CG1 4.28Å; A12-V37 VanDerWaalsContact O-CA 3.28Å; A12-V37 WeakPolarHBondContact O-CA 3.34Å; A12-S38 PolarHBondContact O-N 3.04Å; A12-A244 WeakPolarHBondContact CA-O 3.36Å; A12-P246 HydrophobicContact CB-CG 3.72Å
13D98.4Very high94.6Very high2 Ų234.5 Ų34.51%0.01115%0.149CC..EExtended strand (participates in β ladder)trans-82.4163.8-177.3-73.520.7000111.9F15 H63 R160 M243 A244D13-F15 PolarHBondContact O-N 3.29Å; D13-H63 IonicContact OD2-CE1 2.83Å; D13-H63 PolarHBondContact OD2-CE1 3.21Å; D13-H63 VanDerWaalsContact OD2-CE1 3.28Å; D13-H63 IonicContact OD2-NE2 3.69Å; D13-R160 IonicContact OD1-CZ 3.13Å; D13-R160 IonicContact OD1-NH1 2.66Å; D13-R160 PolarHBondContact OD1-NH1 2.89Å; D13-R160 IonicContact OD1-NH2 3.4Å; D13-R160 PolarHBondContact OD1-NH2 3.35Å; D13-R160 IonicContact OD2-CZ 3.35Å; D13-R160 IonicContact OD2-NH1 3.4Å; D13-R160 PolarHBondContact OD2-NH1 3.48Å; D13-R160 IonicContact OD2-NH2 3.56Å; D13-M243 WeakPolarHBondContact OD2-CG 3.2Å; D13-A244 PolarHBondContact N-O 3.2Å
14D97.3Very high95.8Very high3 Ų324.3 Ų24.32%0.01611%0.11CC..EExtended strand (participates in β ladder)trans62.731.4176-44.2-53.8000116.3Y17 R21 S38 L40 H63 H134 H245 R270D14-Y17 VanDerWaalsContact O-CB 3.26Å; D14-Y17 WeakPolarHBondContact O-CB 3.5Å; D14-Y17 PolarHBondContact O-N 2.97Å; D14-R21 VanDerWaalsContact O-CD 3.27Å; D14-R21 WeakPolarHBondContact O-CD 3.47Å; D14-R21 IonicContact OD2-NH1 3.13Å; D14-R21 PolarHBondContact OD2-NH1 2.94Å; D14-S38 PolarHBondContact N-O 3.35Å; D14-L40 HydrophobicContact CB-CD1 3.87Å; D14-H63 IonicContact OD1-CD2 3.24Å; D14-H63 PolarHBondContact OD1-CD2 3.4Å; D14-H63 IonicContact OD1-NE2 3.39Å; D14-H63 PolarHBondContact OD1-NE2 3.26Å; D14-H134 IonicContact OD1-CE1 3.49Å; D14-H134 PolarHBondContact OD1-CE1 3.23Å; D14-H134 IonicContact OD1-ND1 3.61Å; D14-H134 PolarHBondContact OD1-ND1 2.62Å; D14-H245 IonicContact OD2-CD2 3.91Å; D14-H245 PolarHBondContact OD2-CD2 3.39Å; D14-R270 IonicContact OD2-CZ 3.84Å; D14-R270 IonicContact OD2-NH1 3.67Å; D14-R270 PolarHBondContact OD2-NH1 3.33Å; D14-R270 VanDerWaalsContact OD2-NH1 3.13Å; D14-R270 IonicContact OD2-NH2 2.97Å; D14-R270 PolarHBondContact OD2-NH2 3.29Å
15F98.4Very high96.7Very high0 Ų023 Ų230%010%0.102CC..EExtended strand (participates in β ladder)trans-63.9140.9170.2-165.1-128.8000109.9D13 D22 I25 V26 V37 S38 L39 L40 A49 L52 A53D13-F15 PolarHBondContact O-N 3.29Å; F15-D22 HydrophobicContact CD2-CB 3.94Å; F15-D22 VanDerWaalsContact CD2-OD1 3.3Å; F15-D22 WeakPolarHBondContact CD2-OD1 3.28Å; F15-D22 HydrophobicContact CE2-CB 3.61Å; F15-I25 HydrophobicContact CB-CD1 4.12Å; F15-I25 HydrophobicContact CD2-CB 4.05Å; F15-I25 HydrophobicContact CD2-CD1 3.9Å; F15-I25 HydrophobicContact CD2-CG2 3.79Å; F15-I25 HydrophobicContact CE2-CB 4.37Å; F15-I25 HydrophobicContact CE2-CG2 4.16Å; F15-I25 HydrophobicContact CG-CD1 4.5Å; F15-I25 HydrophobicContact CG-CG2 4.49Å; F15-V26 HydrophobicContact CE2-CG2 4.17Å; F15-V26 HydrophobicContact CZ-CG2 4.33Å; F15-V37 HydrophobicContact CB-CB 4.21Å; F15-V37 HydrophobicContact CB-CG2 4.4Å; F15-V37 HydrophobicContact CD1-CB 4.38Å; F15-V37 HydrophobicContact CD1-CG2 3.75Å; F15-V37 HydrophobicContact CE1-CG2 4.24Å; F15-V37 HydrophobicContact CG-CB 4.32Å; F15-V37 HydrophobicContact CG-CG2 4.19Å; F15-S38 WeakPolarHBondContact CB-O 3.31Å; F15-S38 PolarHBondContact N-O 3.27Å; F15-L39 HydrophobicContact CD1-CD1 4Å; F15-L39 CarbonylContact O-C 3.51Å; F15-L39 WeakPolarHBondContact O-CA 3.43Å; F15-L39 WeakPolarHBondContact O-CD1 3.35Å; F15-L40 PolarHBondContact O-N 2.87Å; F15-A49 HydrophobicContact CD1-CB 3.82Å; F15-A49 HydrophobicContact CD2-CB 4.32Å; F15-A49 HydrophobicContact CE1-CB 3.63Å; F15-A49 WeakPolarHBondContact CE1-O 3.28Å; F15-A49 HydrophobicContact CE2-CB 4.18Å; F15-A49 HydrophobicContact CG-CB 4.16Å; F15-A49 HydrophobicContact CZ-CB 3.84Å; F15-A49 VanDerWaalsContact CZ-O 3.31Å; F15-A49 WeakPolarHBondContact CZ-O 3.25Å; F15-L52 HydrophobicContact CZ-CB 3.87Å; F15-L52 HydrophobicContact CZ-CD1 4.49Å; F15-A53 HydrophobicContact CE1-CB 3.88Å
16G97.6Very high97.2Very high0 Ų017 Ų170%08%0.081CC..THydrogen-bonded Turntrans87.2-0.4-173.200000115D22 G43 A44 A45 T46 A49G16-D22 PolarHBondContact N-OD1 2.83Å; G16-D22 PolarHBondContact N-OD2 3.14Å; G16-G43 CarbonylContact O-C 3.28Å; G16-G43 VanDerWaalsContact O-CA 3.3Å; G16-G43 WeakPolarHBondContact O-CA 3.39Å; G16-A44 PolarHBondContact O-N 3.29Å; G16-A45 CarbonylContact O-C 3.52Å; G16-A45 WeakPolarHBondContact O-CA 3.36Å; G16-A45 PolarHBondContact O-N 3.04Å; G16-T46 PolarHBondContact O-N 2.85Å; G16-A49 VanDerWaalsContact CA-CB 3.43Å
17Y96.2Very high97.4Very high0 Ų020.3 Ų20.30%010%0.096CC..SBendtrans-70.8-46.1-180-166.6-86.1000112.9D14 L40 E68 G255 G256 P261 D262 S265D14-Y17 VanDerWaalsContact O-CB 3.26Å; D14-Y17 WeakPolarHBondContact O-CB 3.5Å; D14-Y17 PolarHBondContact O-N 2.97Å; Y17-L40 HydrophobicContact CD2-CD1 3.76Å; Y17-E68 WeakPolarHBondContact CE2-OE1 3.21Å; Y17-E68 VanDerWaalsContact CZ-OE1 3.29Å; Y17-E68 PolarHBondContact OH-OE1 2.86Å; Y17-G255 WeakPolarHBondContact O-CA 3.31Å; Y17-G256 VanDerWaalsContact CD1-N 3.26Å; Y17-G256 VanDerWaalsContact CE1-CA 3.49Å; Y17-G256 PolarHBondContact O-N 2.73Å; Y17-G256 WeakPolarHBondContact OH-CA 3.34Å; Y17-P261 HydrophobicContact CE1-CB 4.05Å; Y17-P261 WeakPolarHBondContact OH-CA 3.42Å; Y17-D262 PolarHBondContact OH-N 2.69Å; Y17-S265 WeakPolarHBondContact CE1-OG 3.44Å; Y17-S265 PolarHBondContact OH-OG 3.22Å
18C95.4Very high97.6Very high2 Ų219.2 Ų19.21%0.0149%0.092CC..  trans-162.2155.4176.178.50000111R20 R21 D22 S250C18-R20 VanDerWaalsContact C-N 3.28Å; C18-R20 PolarHBondContact O-N 3.13Å; C18-R21 WeakPolarHBondContact O-CB 3.35Å; C18-R21 PolarHBondContact O-N 3.02Å; C18-R21 VanDerWaalsContact SG-CB 3.58Å; C18-R21 PolarHBondContact SG-N 2.76Å; C18-R21 VanDerWaalsContact SG-N 3.4Å; C18-D22 VanDerWaalsContact O-CG 3.24Å; C18-D22 PolarHBondContact O-N 3.33Å; C18-S250 PolarHBondContact SG-OG 3.06Å
19P95.6Very high97.6Very high71 Ų7121.1 Ų21.146%0.46110%0.101SC..Hα-helixtrans-59.3-37.2-174-26.336.3000113.8D22 E23 A45P19-D22 PolarHBondContact O-N 2.91Å; P19-E23 WeakPolarHBondContact O-CB 3.23Å; P19-E23 PolarHBondContact O-N 3.25Å; P19-A45 HydrophobicContact CG-CB 4.2Å
20R95.6Very high97.6Very high122 Ų12226.2 Ų26.246%0.4613%0.127SC..Hα-helixtrans-67.8-35.5178.9-67.9-168.170.8139.15.6112.4C18 G24 Y248C18-R20 VanDerWaalsContact C-N 3.28Å; C18-R20 PolarHBondContact O-N 3.13Å; R20-G24 PolarHBondContact O-N 3.12Å; R20-Y248 WeakPolarHBondContact O-CB 3.27Å; R20-Y248 VanDerWaalsContact O-CD2 3.32Å; R20-Y248 WeakPolarHBondContact O-CD2 3.44Å; R20-Y248 PolarHBondContact O-N 3.32Å
21R95.4Very high97.5Very high0 Ų027.7 Ų27.70%014%0.139CC..Hα-helixtrans-68.5-48.2175.2-175.9-179.5-56.9-173.11.3109.8D14 C18 E23 G24 I25 S265 R270D14-R21 VanDerWaalsContact O-CD 3.27Å; D14-R21 WeakPolarHBondContact O-CD 3.47Å; D14-R21 IonicContact OD2-NH1 3.13Å; D14-R21 PolarHBondContact OD2-NH1 2.94Å; C18-R21 WeakPolarHBondContact O-CB 3.35Å; C18-R21 PolarHBondContact O-N 3.02Å; C18-R21 VanDerWaalsContact SG-CB 3.58Å; C18-R21 PolarHBondContact SG-N 2.76Å; C18-R21 VanDerWaalsContact SG-N 3.4Å; R21-E23 VanDerWaalsContact C-N 3.29Å; R21-E23 PolarHBondContact O-N 3.01Å; R21-G24 PolarHBondContact O-N 3.03Å; R21-G24 VanDerWaalsContact O-N 3.08Å; R21-I25 HydrophobicContact CG-CD1 3.87Å; R21-I25 HydrophobicContact CG-CG1 4.41Å; R21-I25 WeakPolarHBondContact O-CG1 3.33Å; R21-I25 PolarHBondContact O-N 2.9Å; R21-S265 PolarHBondContact NH2-OG 3.24Å; R21-R270 VanDerWaalsContact NH1-NH2 3.12Å
22D97.9Very high97.4Very high0 Ų029.1 Ų29.10%015%0.154CC..Hα-helixtrans-60.6-39.5-177.6-61.7-19.7000111.8F15 G16 C18 P19 G24 I25 V26 A45 L52F15-D22 HydrophobicContact CD2-CB 3.94Å; F15-D22 VanDerWaalsContact CD2-OD1 3.3Å; F15-D22 WeakPolarHBondContact CD2-OD1 3.28Å; F15-D22 HydrophobicContact CE2-CB 3.61Å; G16-D22 PolarHBondContact N-OD1 2.83Å; G16-D22 PolarHBondContact N-OD2 3.14Å; C18-D22 VanDerWaalsContact O-CG 3.24Å; C18-D22 PolarHBondContact O-N 3.33Å; P19-D22 PolarHBondContact O-N 2.91Å; D22-G24 PolarHBondContact O-N 3.35Å; D22-I25 PolarHBondContact O-N 3.4Å; D22-V26 VanDerWaalsContact O-CG2 3.29Å; D22-V26 WeakPolarHBondContact O-CG2 3.32Å; D22-V26 PolarHBondContact O-N 2.96Å; D22-A45 WeakPolarHBondContact OD2-CB 3.48Å; D22-L52 HydrophobicContact CB-CD1 4.04Å
23E97.9Very high97.2Very high116 Ų11629.2 Ų29.254%0.54216%0.155SC..Hα-helixtrans-57.1-47.8173.1-177178.5-167.100112.1P19 R21 V26 E27 Y248P19-E23 WeakPolarHBondContact O-CB 3.23Å; P19-E23 PolarHBondContact O-N 3.25Å; R21-E23 VanDerWaalsContact C-N 3.29Å; R21-E23 PolarHBondContact O-N 3.01Å; E23-V26 PolarHBondContact O-N 2.75Å; E23-E27 PolarHBondContact O-N 3.25Å; E23-Y248 HydrophobicContact CB-CD2 4.43Å; E23-Y248 HydrophobicContact CG-CD2 4.45Å; E23-Y248 HydrophobicContact CG-CE2 4.16Å
24G98Very high97.2Very high0 Ų029.2 Ų29.20%016%0.155CC..Hα-helixtrans-69.1-35.3178.100000113.1R20 R21 D22 V26 E27 A28 L274R20-G24 PolarHBondContact O-N 3.12Å; R21-G24 PolarHBondContact O-N 3.03Å; R21-G24 VanDerWaalsContact O-N 3.08Å; D22-G24 PolarHBondContact O-N 3.35Å; G24-V26 VanDerWaalsContact C-N 3.35Å; G24-E27 PolarHBondContact O-N 3.4Å; G24-A28 PolarHBondContact O-N 2.78Å; G24-L274 WeakPolarHBondContact O-CD1 3.43Å
25I98.5Very high97.2Very high0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-61.5-45.3173-70172.4000110.3A12 F15 R21 D22 A28 F29 V37 P246A12-I25 HydrophobicContact CB-CG1 4.25Å; A12-I25 HydrophobicContact CB-CG2 3.87Å; F15-I25 HydrophobicContact CB-CD1 4.12Å; F15-I25 HydrophobicContact CD2-CB 4.05Å; F15-I25 HydrophobicContact CD2-CD1 3.9Å; F15-I25 HydrophobicContact CD2-CG2 3.79Å; F15-I25 HydrophobicContact CE2-CB 4.37Å; F15-I25 HydrophobicContact CE2-CG2 4.16Å; F15-I25 HydrophobicContact CG-CD1 4.5Å; F15-I25 HydrophobicContact CG-CG2 4.49Å; R21-I25 HydrophobicContact CG-CD1 3.87Å; R21-I25 HydrophobicContact CG-CG1 4.41Å; R21-I25 WeakPolarHBondContact O-CG1 3.33Å; R21-I25 PolarHBondContact O-N 2.9Å; D22-I25 PolarHBondContact O-N 3.4Å; I25-A28 PolarHBondContact O-N 3.16Å; I25-F29 PolarHBondContact O-N 2.82Å; I25-V37 HydrophobicContact CG2-CB 4.35Å; I25-V37 HydrophobicContact CG2-CG1 3.43Å; I25-V37 VanDerWaalsContact CG2-CG1 3.43Å; I25-P246 HydrophobicContact CG1-CG 4.2Å; I25-P246 WeakPolarHBondContact CG1-O 3.46Å
26V98.7Very high97.1Very high12 Ų1229.9 Ų29.97%0.07316%0.159CC..Hα-helixtrans-62.7-42.4176.21710000110.9F15 D22 E23 G24 A28 F29 L30 L52 I58F15-V26 HydrophobicContact CE2-CG2 4.17Å; F15-V26 HydrophobicContact CZ-CG2 4.33Å; D22-V26 VanDerWaalsContact O-CG2 3.29Å; D22-V26 WeakPolarHBondContact O-CG2 3.32Å; D22-V26 PolarHBondContact O-N 2.96Å; E23-V26 PolarHBondContact O-N 2.75Å; G24-V26 VanDerWaalsContact C-N 3.35Å; V26-A28 PolarHBondContact O-N 3.49Å; V26-F29 PolarHBondContact O-N 2.88Å; V26-L30 HydrophobicContact CG1-CD1 3.79Å; V26-L30 HydrophobicContact CG1-CG 4.16Å; V26-L30 WeakPolarHBondContact O-CB 3.46Å; V26-L30 VanDerWaalsContact O-CG 3.28Å; V26-L30 WeakPolarHBondContact O-CG 3.3Å; V26-L30 PolarHBondContact O-N 2.84Å; V26-L52 HydrophobicContact CG2-CB 4.1Å; V26-L52 HydrophobicContact CG2-CD1 4.21Å; V26-L52 HydrophobicContact CG2-CD2 4.43Å; V26-L52 HydrophobicContact CG2-CG 4.48Å; V26-I58 HydrophobicContact CG2-CD1 4.11Å
27E98.5Very high97.2Very high72 Ų7229.9 Ų29.934%0.33616%0.159SC..Hα-helixtrans-57.8-46.6174.9-173.6-173.3141.300111.8E23 G24 F29 L30 A31 Y248 L274 T278E23-E27 PolarHBondContact O-N 3.25Å; G24-E27 PolarHBondContact O-N 3.4Å; E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 PolarHBondContact O-N 2.75Å; E27-L30 PolarHBondContact O-N 2.88Å; E27-A31 WeakPolarHBondContact O-CB 3.24Å; E27-A31 PolarHBondContact O-N 3.5Å; E27-Y248 PolarHBondContact OE2-OH 3.33Å; E27-L274 HydrophobicContact CB-CD1 4.29Å; E27-L274 HydrophobicContact CG-CD1 4.47Å; E27-T278 HydrophobicContact CG-CG2 4.14Å
28A98.3Very high97.3Very high0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-64.7-35.3178.400000112.9G24 I25 V26 G32 V34 P246 L274 L277 T278G24-A28 PolarHBondContact O-N 2.78Å; I25-A28 PolarHBondContact O-N 3.16Å; V26-A28 PolarHBondContact O-N 3.49Å; A28-G32 PolarHBondContact O-N 3.09Å; A28-V34 HydrophobicContact CB-CB 4.3Å; A28-V34 HydrophobicContact CB-CG2 3.58Å; A28-V34 PolarHBondContact O-N 3.41Å; A28-P246 HydrophobicContact CB-CB 4.11Å; A28-P246 HydrophobicContact CB-CG 4.11Å; A28-L274 HydrophobicContact CB-CD1 3.84Å; A28-L277 HydrophobicContact CB-CB 4.28Å; A28-L277 HydrophobicContact CB-CD1 4.47Å; A28-T278 HydrophobicContact CB-CG2 4.49Å
29F98.3Very high97.5Very high41 Ų4129.8 Ų29.818%0.1816%0.159CC..Hα-helixtrans-67.5-48.3173.3178-98.6000111.5I25 V26 E27 A31 G32 V34 H56 I58I25-F29 PolarHBondContact O-N 2.82Å; V26-F29 PolarHBondContact O-N 2.88Å; E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 PolarHBondContact O-N 2.75Å; F29-A31 VanDerWaalsContact C-N 3.26Å; F29-A31 PolarHBondContact O-N 2.85Å; F29-G32 WeakPolarHBondContact O-CA 3.44Å; F29-G32 PolarHBondContact O-N 3.41Å; F29-V34 HydrophobicContact CB-CB 4.37Å; F29-V34 HydrophobicContact CB-CG1 4.37Å; F29-V34 HydrophobicContact CD2-CG1 4.49Å; F29-V34 VanDerWaalsContact CD2-O 3.28Å; F29-V34 WeakPolarHBondContact CD2-O 3.48Å; F29-H56 HydrophobicContact CE1-CB 4.49Å; F29-I58 HydrophobicContact CB-CD1 4.46Å; F29-I58 HydrophobicContact CD1-CD1 3.98Å; F29-I58 HydrophobicContact CD1-CG1 3.74Å; F29-I58 HydrophobicContact CD2-CG2 3.81Å; F29-I58 HydrophobicContact CE1-CB 4.39Å; F29-I58 HydrophobicContact CE1-CD1 4.46Å; F29-I58 HydrophobicContact CE1-CG1 3.72Å; F29-I58 HydrophobicContact CE2-CB 4.4Å; F29-I58 HydrophobicContact CE2-CG2 3.85Å; F29-I58 HydrophobicContact CG-CD1 4.17Å; F29-I58 HydrophobicContact CG-CG1 4.16Å; F29-I58 HydrophobicContact CG-CG2 4.15Å; F29-I58 HydrophobicContact CZ-CB 4.27Å; F29-I58 HydrophobicContact CZ-CG1 4.11Å; F29-I58 HydrophobicContact CZ-CG2 4.23Å
30L97.9Very high97.6Very high108 Ų10826.4 Ų26.457%0.56514%0.137SC*.Hα-helixtrans-65.5-28.1178.9-67.4177.4000112.8V26 E27 G32V26-L30 HydrophobicContact CG1-CD1 3.79Å; V26-L30 HydrophobicContact CG1-CG 4.16Å; V26-L30 WeakPolarHBondContact O-CB 3.46Å; V26-L30 VanDerWaalsContact O-CG 3.28Å; V26-L30 WeakPolarHBondContact O-CG 3.3Å; V26-L30 PolarHBondContact O-N 2.84Å; E27-L30 PolarHBondContact O-N 2.88Å; L30-G32 PolarHBondContact O-N 3.39Å
31A97.3Very high97.7Very high32 Ų3220.9 Ų20.926%0.26412%0.116SC..THydrogen-bonded Turntrans-71.3-12.6170.700000113.6E27 F29 T278 R283E27-A31 WeakPolarHBondContact O-CB 3.24Å; E27-A31 PolarHBondContact O-N 3.5Å; F29-A31 VanDerWaalsContact C-N 3.26Å; F29-A31 PolarHBondContact O-N 2.85Å; A31-T278 HydrophobicContact CB-CG2 3.87Å; A31-R283 PolarHBondContact O-NH1 3.2Å
32G95.2Very high97.8Very high30 Ų3021.9 Ų21.931%0.30912%0.122SC..THydrogen-bonded Turntrans83.913.7170.300000115.6A28 F29 L30 L293A28-G32 PolarHBondContact O-N 3.09Å; F29-G32 WeakPolarHBondContact O-CA 3.44Å; F29-G32 PolarHBondContact O-N 3.41Å; L30-G32 PolarHBondContact O-N 3.39Å; G32-L293 VanDerWaalsContact O-CD1 3.24Å; G32-L293 WeakPolarHBondContact O-CD1 3.45Å
33A94.4Very high97.7Very high2 Ų222.2 Ų22.22%0.01713%0.125CC..SBendtrans-91.5-43.7172.100000112V10 L277 R283V10-A33 VanDerWaalsContact CB-O 3.25Å; V10-A33 WeakPolarHBondContact CB-O 3.5Å; V10-A33 VanDerWaalsContact CG2-O 3.28Å; V10-A33 WeakPolarHBondContact CG2-O 3.46Å; A33-L277 HydrophobicContact CB-CB 4.26Å; A33-L277 HydrophobicContact CB-CD2 4.33Å; A33-L277 WeakPolarHBondContact CB-O 3.36Å; A33-R283 HydrophobicContact CB-CG 4.17Å
34V98Very high97.6Very high3 Ų320.2 Ų20.22%0.01813%0.128CC..  trans-76.3133.2172.9172.90000109V10 A12 A28 F29 S36 V37 P246 L277V10-V34 HydrophobicContact CG1-CG2 4.11Å; A12-V34 HydrophobicContact CB-CG1 3.77Å; A12-V34 HydrophobicContact CB-CG2 4.22Å; A28-V34 HydrophobicContact CB-CB 4.3Å; A28-V34 HydrophobicContact CB-CG2 3.58Å; A28-V34 PolarHBondContact O-N 3.41Å; F29-V34 HydrophobicContact CB-CB 4.37Å; F29-V34 HydrophobicContact CB-CG1 4.37Å; F29-V34 HydrophobicContact CD2-CG1 4.49Å; F29-V34 VanDerWaalsContact CD2-O 3.28Å; F29-V34 WeakPolarHBondContact CD2-O 3.48Å; V34-S36 VanDerWaalsContact CG1-O 3.23Å; V34-S36 WeakPolarHBondContact CG1-O 3.5Å; V34-V37 HydrophobicContact CG1-CG1 4.4Å; V34-P246 HydrophobicContact CG2-CG 4.38Å; V34-L277 HydrophobicContact CG2-CD1 3.8Å
35T97.9Very high97.5Very high17 Ų1720.5 Ų20.510%0.10413%0.13CC..  trans-116.1-14.5-17758.80000112.9V10 P59 L293 C294V10-T35 PolarHBondContact N-OG1 3.21Å; V10-T35 PolarHBondContact O-N 3.29Å; V10-T35 PolarHBondContact O-OG1 3.47Å; T35-P59 WeakPolarHBondContact O-CG 3.09Å; T35-L293 HydrophobicContact CG2-CB 4.01Å; T35-L293 HydrophobicContact CG2-CD2 4.5Å; T35-C294 WeakPolarHBondContact CB-O 3.28Å; T35-C294 PolarHBondContact OG1-O 2.91Å
36S97.6Very high97.5Very high0 Ų021.3 Ų21.30%014%0.136CC..EExtended strand (participates in β ladder)trans-153.2157.6-178-171.30000110.1V10 T11 A12 V34 P59 H130V10-S36 PolarHBondContact O-N 3Å; V10-S36 VanDerWaalsContact O-N 3.08Å; T11-S36 WeakPolarHBondContact CA-O 3.45Å; A12-S36 PolarHBondContact N-O 3.19Å; V34-S36 VanDerWaalsContact CG1-O 3.23Å; V34-S36 WeakPolarHBondContact CG1-O 3.5Å; S36-P59 WeakPolarHBondContact CA-O 3.44Å; S36-P59 PolarHBondContact OG-O 2.9Å; S36-H130 PolarHBondContact OG-CE1 3Å
37V98.6Very high97.4Very high0 Ų027.1 Ų27.10%016%0.162CC..EExtended strand (participates in β ladder)trans-130.5152.8173.3-55.90000110.8A12 F15 I25 V34 I58 P59 T60 G61A12-V37 HydrophobicContact CB-CG1 4.28Å; A12-V37 VanDerWaalsContact O-CA 3.28Å; A12-V37 WeakPolarHBondContact O-CA 3.34Å; F15-V37 HydrophobicContact CB-CB 4.21Å; F15-V37 HydrophobicContact CB-CG2 4.4Å; F15-V37 HydrophobicContact CD1-CB 4.38Å; F15-V37 HydrophobicContact CD1-CG2 3.75Å; F15-V37 HydrophobicContact CE1-CG2 4.24Å; F15-V37 HydrophobicContact CG-CB 4.32Å; F15-V37 HydrophobicContact CG-CG2 4.19Å; I25-V37 HydrophobicContact CG2-CB 4.35Å; I25-V37 HydrophobicContact CG2-CG1 3.43Å; I25-V37 VanDerWaalsContact CG2-CG1 3.43Å; V34-V37 HydrophobicContact CG1-CG1 4.4Å; V37-I58 HydrophobicContact CB-CG2 4.31Å; V37-I58 HydrophobicContact CG1-CG2 3.66Å; V37-I58 HydrophobicContact CG2-CG2 3.76Å; V37-P59 PolarHBondContact N-O 3.07Å; V37-T60 HydrophobicContact CG2-CG2 3.94Å; V37-T60 CarbonylContact O-C 3.2Å; V37-T60 WeakPolarHBondContact O-CA 3.42Å; V37-G61 PolarHBondContact O-N 3.25Å
38S98.4Very high97.4Very high0 Ų026 Ų260%016%0.162CC..EExtended strand (participates in β ladder)trans-113118.4173.2-57.90000109.9T11 A12 D14 F15 H130 D132T11-S38 VanDerWaalsContact CG2-OG 3.27Å; T11-S38 WeakPolarHBondContact CG2-OG 3.36Å; A12-S38 PolarHBondContact O-N 3.04Å; D14-S38 PolarHBondContact N-O 3.35Å; F15-S38 WeakPolarHBondContact CB-O 3.31Å; F15-S38 PolarHBondContact N-O 3.27Å; S38-H130 PolarHBondContact OG-NE2 3.38Å; S38-H130 VanDerWaalsContact OG-NE2 3.14Å; S38-D132 WeakPolarHBondContact CB-OD1 3.28Å; S38-D132 PolarHBondContact OG-OD1 2.67Å; S38-D132 PolarHBondContact OG-OD2 2.79Å
39L98.8Very high97.4Very high0 Ų026 Ų260%016%0.162CC..EExtended strand (participates in β ladder)trans-90.2126.5-17417867.8000111.9F15 V41 A49 T60 G61 H63 F120 M124F15-L39 HydrophobicContact CD1-CD1 4Å; F15-L39 CarbonylContact O-C 3.51Å; F15-L39 WeakPolarHBondContact O-CA 3.43Å; F15-L39 WeakPolarHBondContact O-CD1 3.35Å; L39-V41 HydrophobicContact CD2-CG1 4.42Å; L39-V41 PolarHBondContact O-N 3Å; L39-A49 HydrophobicContact CD1-CB 3.79Å; L39-T60 HydrophobicContact CB-CG2 3.92Å; L39-G61 PolarHBondContact N-O 3.46Å; L39-H63 PolarHBondContact O-N 3.03Å; L39-F120 HydrophobicContact CB-CD2 4.42Å; L39-F120 HydrophobicContact CB-CE2 4.08Å; L39-F120 HydrophobicContact CD2-CD2 4.04Å; L39-F120 HydrophobicContact CD2-CE2 4.02Å; L39-M124 HydrophobicContact CD2-CG 4.31Å; L39-M124 HydrophobicContact CD2-SD 4.35Å
40L98.7Very high97.4Very high0 Ų024 Ų240%015%0.153CC..  trans-81.1107.7165.4-72.2165.8000109.6D14 F15 Y17 N42 G43 T46 H63 N65 H134D14-L40 HydrophobicContact CB-CD1 3.87Å; F15-L40 PolarHBondContact O-N 2.87Å; Y17-L40 HydrophobicContact CD2-CD1 3.76Å; L40-N42 VanDerWaalsContact C-N 3.27Å; L40-N42 PolarHBondContact O-N 2.73Å; L40-G43 PolarHBondContact O-N 2.97Å; L40-T46 WeakPolarHBondContact O-CB 3.24Å; L40-T46 PolarHBondContact O-OG1 2.85Å; L40-H63 HydrophobicContact CD2-CB 4.05Å; L40-H63 HydrophobicContact CG-CB 4.14Å; L40-N65 HydrophobicContact CD2-CB 3.8Å; L40-H134 HydrophobicContact CD2-CB 4.24Å
41V98.4Very high97.4Very high6 Ų623.4 Ų23.44%0.03615%0.147CC..THydrogen-bonded Turntrans-73.8-18.9-179.5-64.20000113.5L39 T46 L62 V72 Q116 C119 F120 L123L39-V41 HydrophobicContact CD2-CG1 4.42Å; L39-V41 PolarHBondContact O-N 3Å; V41-T46 WeakPolarHBondContact CA-OG1 3.36Å; V41-L62 HydrophobicContact CB-CD1 4.42Å; V41-L62 HydrophobicContact CG1-CD1 3.64Å; V41-L62 HydrophobicContact CG2-CD1 3.95Å; V41-V72 HydrophobicContact CG2-CG1 4.38Å; V41-Q116 HydrophobicContact CG2-CB 3.7Å; V41-Q116 HydrophobicContact CG2-CG 3.63Å; V41-C119 HydrophobicContact CB-CB 4.38Å; V41-F120 HydrophobicContact CG1-CB 3.87Å; V41-F120 HydrophobicContact CG1-CD2 4.15Å; V41-L123 HydrophobicContact CB-CD1 4.38Å; V41-L123 HydrophobicContact CG1-CD1 4.2Å
42N96.9Very high97.5Very high21 Ų2123.6 Ų23.611%0.11214%0.144CC..THydrogen-bonded Turntrans-96.56.6171.370.8-27.3000113.4L40 N65 E68 R70 V72 C257L40-N42 VanDerWaalsContact C-N 3.27Å; L40-N42 PolarHBondContact O-N 2.73Å; N42-N65 PolarHBondContact ND2-ND2 2.78Å; N42-N65 PolarHBondContact OD1-ND2 3.39Å; N42-E68 PolarHBondContact ND2-O 3.08Å; N42-E68 VanDerWaalsContact ND2-O 3.14Å; N42-R70 PolarHBondContact ND2-O 2.75Å; N42-V72 HydrophobicContact CB-CG1 3.73Å; N42-C257 WeakPolarHBondContact O-CA 3.45Å; N42-C257 PolarHBondContact OD1-SG 3.14Å
43G96.3Very high97.6Very high6 Ų622.2 Ų22.26%0.06213%0.129CC..SBendtrans-72.2147.5178.900000113G16 L40 A45 T46G16-G43 CarbonylContact O-C 3.28Å; G16-G43 VanDerWaalsContact O-CA 3.3Å; G16-G43 WeakPolarHBondContact O-CA 3.39Å; L40-G43 PolarHBondContact O-N 2.97Å; G43-A45 PolarHBondContact O-N 3.05Å; G43-A45 VanDerWaalsContact O-N 3.12Å; G43-T46 WeakPolarHBondContact O-CB 3.47Å; G43-T46 PolarHBondContact O-N 3.31Å; G43-T46 VanDerWaalsContact O-N 3.14Å
44A94.7Very high97.7Very high74 Ų7427.6 Ų27.661%0.61215%0.149SC*.THydrogen-bonded Turntrans-61.6-21.8-176.600000114.6G16 G256G16-A44 PolarHBondContact O-N 3.29Å; A44-G256 WeakPolarHBondContact CB-O 3.42Å; A44-G256 PolarHBondContact N-O 3.44Å
45A96.5Very high97.7Very high6 Ų634.9 Ų34.95%0.0518%0.177CC..THydrogen-bonded Turntrans-111.915.8-179.700000113.2G16 P19 D22 G43 E47 S48 A49G16-A45 CarbonylContact O-C 3.52Å; G16-A45 WeakPolarHBondContact O-CA 3.36Å; G16-A45 PolarHBondContact O-N 3.04Å; P19-A45 HydrophobicContact CG-CB 4.2Å; D22-A45 WeakPolarHBondContact OD2-CB 3.48Å; G43-A45 PolarHBondContact O-N 3.05Å; G43-A45 VanDerWaalsContact O-N 3.12Å; A45-E47 VanDerWaalsContact C-N 3.33Å; A45-E47 PolarHBondContact O-N 3.3Å; A45-S48 PolarHBondContact O-N 2.96Å; A45-S48 PolarHBondContact O-OG 3.27Å; A45-A49 WeakPolarHBondContact O-CB 3.29Å; A45-A49 PolarHBondContact O-N 3.32Å
46T97.6Very high97.7Very high18 Ų1836.8 Ų36.811%0.1118%0.184CC..Hα-helixtrans-56.1-41.8-171.2-1590000113.9G16 L40 V41 G43 A49 A50 L123G16-T46 PolarHBondContact O-N 2.85Å; L40-T46 WeakPolarHBondContact O-CB 3.24Å; L40-T46 PolarHBondContact O-OG1 2.85Å; V41-T46 WeakPolarHBondContact CA-OG1 3.36Å; G43-T46 WeakPolarHBondContact O-CB 3.47Å; G43-T46 PolarHBondContact O-N 3.31Å; G43-T46 VanDerWaalsContact O-N 3.14Å; T46-A49 PolarHBondContact O-N 2.98Å; T46-A50 WeakPolarHBondContact O-CB 3.34Å; T46-A50 PolarHBondContact O-N 2.94Å; T46-L123 HydrophobicContact CG2-CD1 4.18Å
47E97.8Very high97.6Very high134 Ų13441.6 Ų41.663%0.62622%0.218SC*.Hα-helixtrans-60.7-50.4177.7-73.5-80.8-178.300111.8A45 A49 A50 E51 L123A45-E47 VanDerWaalsContact C-N 3.33Å; A45-E47 PolarHBondContact O-N 3.3Å; E47-A49 VanDerWaalsContact C-N 3.34Å; E47-A49 PolarHBondContact O-N 3.08Å; E47-A50 PolarHBondContact O-N 3.45Å; E47-E51 PolarHBondContact O-N 3.18Å; E47-E51 VanDerWaalsContact O-N 3.08Å; E47-L123 HydrophobicContact CG-CD2 4.42Å
48S97.9Very high97.6Very high48 Ų4841.6 Ų41.634%0.33622%0.218SC..Hα-helixtrans-66.5-35.3177.648.40000112.5A45 E51 L52A45-S48 PolarHBondContact O-N 2.96Å; A45-S48 PolarHBondContact O-OG 3.27Å; S48-E51 WeakPolarHBondContact O-CB 3.33Å; S48-E51 PolarHBondContact O-N 3.38Å; S48-L52 WeakPolarHBondContact O-CG 3.28Å; S48-L52 PolarHBondContact O-N 2.91Å
49A98.4Very high97.5Very high0 Ų042.7 Ų42.70%023%0.225CC..Hα-helixtrans-65.6-44.2175.400000111.2F15 G16 L39 A45 T46 E47 E51 L52 A53F15-A49 HydrophobicContact CD1-CB 3.82Å; F15-A49 HydrophobicContact CD2-CB 4.32Å; F15-A49 HydrophobicContact CE1-CB 3.63Å; F15-A49 WeakPolarHBondContact CE1-O 3.28Å; F15-A49 HydrophobicContact CE2-CB 4.18Å; F15-A49 HydrophobicContact CG-CB 4.16Å; F15-A49 HydrophobicContact CZ-CB 3.84Å; F15-A49 VanDerWaalsContact CZ-O 3.31Å; F15-A49 WeakPolarHBondContact CZ-O 3.25Å; G16-A49 VanDerWaalsContact CA-CB 3.43Å; L39-A49 HydrophobicContact CD1-CB 3.79Å; A45-A49 WeakPolarHBondContact O-CB 3.29Å; A45-A49 PolarHBondContact O-N 3.32Å; T46-A49 PolarHBondContact O-N 2.98Å; E47-A49 VanDerWaalsContact C-N 3.34Å; E47-A49 PolarHBondContact O-N 3.08Å; A49-E51 VanDerWaalsContact C-N 3.28Å; A49-E51 PolarHBondContact O-N 2.89Å; A49-L52 WeakPolarHBondContact O-CB 3.38Å; A49-L52 PolarHBondContact O-N 2.92Å; A49-L52 VanDerWaalsContact O-N 3.12Å; A49-A53 PolarHBondContact O-N 3.18Å
50A98.3Very high97.5Very high0 Ų042.7 Ų42.70%023%0.225CC..Hα-helixtrans-59.3-39.9174.800000111.6T46 E47 A53 R54 L123 M124T46-A50 WeakPolarHBondContact O-CB 3.34Å; T46-A50 PolarHBondContact O-N 2.94Å; E47-A50 PolarHBondContact O-N 3.45Å; A50-A53 PolarHBondContact O-N 3.29Å; A50-R54 WeakPolarHBondContact O-CG 3.43Å; A50-R54 PolarHBondContact O-N 3.39Å; A50-R54 VanDerWaalsContact O-N 3.08Å; A50-R54 PolarHBondContact O-NH1 3.42Å; A50-L123 HydrophobicContact CB-CB 4.26Å; A50-M124 HydrophobicContact CB-SD 3.75Å
51E98.1Very high97.4Very high94 Ų9442.7 Ų42.744%0.43923%0.225SC..Hα-helixtrans-61.7-46.8172.6-167.1-16915800112.3E47 S48 A49 A53 R54 R55E47-E51 PolarHBondContact O-N 3.18Å; E47-E51 VanDerWaalsContact O-N 3.08Å; S48-E51 WeakPolarHBondContact O-CB 3.33Å; S48-E51 PolarHBondContact O-N 3.38Å; A49-E51 VanDerWaalsContact C-N 3.28Å; A49-E51 PolarHBondContact O-N 2.89Å; E51-A53 PolarHBondContact O-N 3.49Å; E51-R54 PolarHBondContact O-N 3.32Å; E51-R55 VanDerWaalsContact O-CB 3.3Å; E51-R55 WeakPolarHBondContact O-CB 3.34Å; E51-R55 PolarHBondContact O-N 3.25Å; E51-R55 IonicContact OE1-CZ 3.34Å; E51-R55 IonicContact OE1-NH2 3.76Å; E51-R55 PolarHBondContact OE1-NH2 3.39Å
52L98.4Very high97.5Very high36 Ų3642.4 Ų42.419%0.18822%0.223CC..Hα-helixtrans-60.5-44.2177.2-74169.6000112F15 D22 V26 S48 A49 R54 R55 H56F15-L52 HydrophobicContact CZ-CB 3.87Å; F15-L52 HydrophobicContact CZ-CD1 4.49Å; D22-L52 HydrophobicContact CB-CD1 4.04Å; V26-L52 HydrophobicContact CG2-CB 4.1Å; V26-L52 HydrophobicContact CG2-CD1 4.21Å; V26-L52 HydrophobicContact CG2-CD2 4.43Å; V26-L52 HydrophobicContact CG2-CG 4.48Å; S48-L52 WeakPolarHBondContact O-CG 3.28Å; S48-L52 PolarHBondContact O-N 2.91Å; A49-L52 WeakPolarHBondContact O-CB 3.38Å; A49-L52 PolarHBondContact O-N 2.92Å; A49-L52 VanDerWaalsContact O-N 3.12Å; L52-R54 PolarHBondContact O-N 3.06Å; L52-R55 PolarHBondContact O-N 2.83Å; L52-H56 PolarHBondContact O-CD2 3.33Å; L52-H56 VanDerWaalsContact O-CD2 3.31Å; L52-H56 PolarHBondContact O-N 3.41Å
53A97.9Very high97.5Very high1 Ų141.5 Ų41.51%0.00822%0.218CC..Hα-helixtrans-60-44176.500000112F15 A49 A50 E51 S57 I58 T60 M124F15-A53 HydrophobicContact CE1-CB 3.88Å; A49-A53 PolarHBondContact O-N 3.18Å; A50-A53 PolarHBondContact O-N 3.29Å; E51-A53 PolarHBondContact O-N 3.49Å; A53-S57 CarbonylContact O-C 3.55Å; A53-S57 WeakPolarHBondContact O-CA 3.17Å; A53-S57 PolarHBondContact O-N 3.08Å; A53-I58 HydrophobicContact CB-CB 4.37Å; A53-I58 PolarHBondContact O-N 2.87Å; A53-T60 WeakPolarHBondContact CB-OG1 3.41Å; A53-M124 HydrophobicContact CB-CE 3.78Å; A53-M124 HydrophobicContact CB-SD 4.4Å
54R97.1Very high97.7Very high115 Ų11541.3 Ų41.343%0.43422%0.216SC..Hα-helixtrans-64.4-47.7175.1-72-174-63.2-86.36.3111.7A50 E51 L52 H56 S57 L123A50-R54 WeakPolarHBondContact O-CG 3.43Å; A50-R54 PolarHBondContact O-N 3.39Å; A50-R54 VanDerWaalsContact O-N 3.08Å; A50-R54 PolarHBondContact O-NH1 3.42Å; E51-R54 PolarHBondContact O-N 3.32Å; L52-R54 PolarHBondContact O-N 3.06Å; R54-H56 VanDerWaalsContact C-N 3.28Å; R54-H56 PolarHBondContact O-N 2.97Å; R54-S57 PolarHBondContact O-N 2.91Å; R54-L123 PolarHBondContact NH1-O 3.46Å
55R97.7Very high97.8Very high156 Ų15637.8 Ų37.859%0.58919%0.187SC*.Hα-helixtrans-57.2-41.5-178.4-177.2-176.5-64.8176.9-0.6112.2E51 L52E51-R55 VanDerWaalsContact O-CB 3.3Å; E51-R55 WeakPolarHBondContact O-CB 3.34Å; E51-R55 PolarHBondContact O-N 3.25Å; E51-R55 IonicContact OE1-CZ 3.34Å; E51-R55 IonicContact OE1-NH2 3.76Å; E51-R55 PolarHBondContact OE1-NH2 3.39Å; L52-R55 PolarHBondContact O-N 2.83Å
56H97.7Very high97.9Very high58 Ų5837.6 Ų37.627%0.26919%0.185SC..THydrogen-bonded Turntrans-98.95-178.1-63.6-68.4000113.7F29 L52 R54 I58F29-H56 HydrophobicContact CE1-CB 4.49Å; L52-H56 PolarHBondContact O-CD2 3.33Å; L52-H56 VanDerWaalsContact O-CD2 3.31Å; L52-H56 PolarHBondContact O-N 3.41Å; R54-H56 VanDerWaalsContact C-N 3.28Å; R54-H56 PolarHBondContact O-N 2.97Å; H56-I58 HydrophobicContact CB-CD1 3.99Å; H56-I58 HydrophobicContact CB-CG1 3.67Å; H56-I58 PolarHBondContact O-N 3.15Å
57S96.1Very high97.9Very high100 Ų10036.8 Ų36.870%0.69918%0.18SC*.THydrogen-bonded Turntrans51.141.6-177.3-59.60000113.1A53 R54A53-S57 CarbonylContact O-C 3.55Å; A53-S57 WeakPolarHBondContact O-CA 3.17Å; A53-S57 PolarHBondContact O-N 3.08Å; R54-S57 PolarHBondContact O-N 2.91Å
58I97.2Very high97.8Very high1 Ų131.2 Ų31.21%0.00515%0.154CC..  trans-73.4130.7-178.3-48-173.3000108.8V26 F29 V37 A53 H56 T60 R126V26-I58 HydrophobicContact CG2-CD1 4.11Å; F29-I58 HydrophobicContact CB-CD1 4.46Å; F29-I58 HydrophobicContact CD1-CD1 3.98Å; F29-I58 HydrophobicContact CD1-CG1 3.74Å; F29-I58 HydrophobicContact CD2-CG2 3.81Å; F29-I58 HydrophobicContact CE1-CB 4.39Å; F29-I58 HydrophobicContact CE1-CD1 4.46Å; F29-I58 HydrophobicContact CE1-CG1 3.72Å; F29-I58 HydrophobicContact CE2-CB 4.4Å; F29-I58 HydrophobicContact CE2-CG2 3.85Å; F29-I58 HydrophobicContact CG-CD1 4.17Å; F29-I58 HydrophobicContact CG-CG1 4.16Å; F29-I58 HydrophobicContact CG-CG2 4.15Å; F29-I58 HydrophobicContact CZ-CB 4.27Å; F29-I58 HydrophobicContact CZ-CG1 4.11Å; F29-I58 HydrophobicContact CZ-CG2 4.23Å; V37-I58 HydrophobicContact CB-CG2 4.31Å; V37-I58 HydrophobicContact CG1-CG2 3.66Å; V37-I58 HydrophobicContact CG2-CG2 3.76Å; A53-I58 HydrophobicContact CB-CB 4.37Å; A53-I58 PolarHBondContact O-N 2.87Å; H56-I58 HydrophobicContact CB-CD1 3.99Å; H56-I58 HydrophobicContact CB-CG1 3.67Å; H56-I58 PolarHBondContact O-N 3.15Å; I58-T60 PolarHBondContact O-N 3.4Å; I58-T60 PolarHBondContact O-OG1 3.23Å; I58-R126 PolarHBondContact O-NH2 2.87Å
59P96.9Very high97.6Very high22 Ų2228.9 Ų28.914%0.14314%0.138CC..  trans-59.3124.6165.3-24.936.6000109.9T35 S36 V37 A295T35-P59 WeakPolarHBondContact O-CG 3.09Å; S36-P59 WeakPolarHBondContact CA-O 3.44Å; S36-P59 PolarHBondContact OG-O 2.9Å; V37-P59 PolarHBondContact N-O 3.07Å; P59-A295 HydrophobicContact CG-CB 4.21Å
60T98.1Very high97.4Very high0 Ų033.6 Ų33.60%016%0.156CC..EExtended strand (participates in β ladder)trans-129123.9-169.5-48.20000109.9V37 L39 A53 I58 F120 M124 T129V37-T60 HydrophobicContact CG2-CG2 3.94Å; V37-T60 CarbonylContact O-C 3.2Å; V37-T60 WeakPolarHBondContact O-CA 3.42Å; L39-T60 HydrophobicContact CB-CG2 3.92Å; A53-T60 WeakPolarHBondContact CB-OG1 3.41Å; I58-T60 PolarHBondContact O-N 3.4Å; I58-T60 PolarHBondContact O-OG1 3.23Å; T60-F120 HydrophobicContact CG2-CE2 3.81Å; T60-F120 HydrophobicContact CG2-CZ 3.9Å; T60-M124 HydrophobicContact CG2-CE 4.11Å; T60-T129 PolarHBondContact O-N 3.1Å; T60-T129 PolarHBondContact O-OG1 3.11Å
61G98.3Very high97.3Very high0 Ų033.8 Ų33.80%016%0.157CC..EExtended strand (participates in β ladder)trans-101.5171.3167.300000112.4V37 L39 F120 H130V37-G61 PolarHBondContact O-N 3.25Å; L39-G61 PolarHBondContact N-O 3.46Å; G61-F120 VanDerWaalsContact O-CE2 3.28Å; G61-F120 WeakPolarHBondContact O-CE2 3.2Å; G61-H130 CarbonylContact C-O 3.49Å; G61-H130 WeakPolarHBondContact CA-CE1 3.42Å; G61-H130 WeakPolarHBondContact CA-ND1 3.31Å; G61-H130 WeakPolarHBondContact CA-O 3.37Å; G61-H130 PolarHBondContact N-CE1 3.02Å
62L98.8Very high97.2Very high1 Ų131.6 Ų31.61%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-89.2127.3170.2168.965.4000109.1V41 A64 Q116 L117 F120 P128 H130 V131 D132V41-L62 HydrophobicContact CB-CD1 4.42Å; V41-L62 HydrophobicContact CG1-CD1 3.64Å; V41-L62 HydrophobicContact CG2-CD1 3.95Å; L62-A64 PolarHBondContact O-N 3.46Å; L62-Q116 HydrophobicContact CD1-CB 4.3Å; L62-Q116 HydrophobicContact CD2-CB 4.08Å; L62-L117 HydrophobicContact CD2-CD2 3.67Å; L62-L117 HydrophobicContact CD2-CG 3.82Å; L62-F120 HydrophobicContact CB-CD2 3.92Å; L62-F120 HydrophobicContact CB-CE2 4.4Å; L62-F120 HydrophobicContact CB-CG 4.34Å; L62-F120 HydrophobicContact CD1-CB 4.39Å; L62-F120 HydrophobicContact CD1-CD2 4.26Å; L62-P128 HydrophobicContact CB-CB 4.1Å; L62-P128 HydrophobicContact CB-CG 4.28Å; L62-H130 PolarHBondContact N-O 3.43Å; L62-V131 HydrophobicContact CB-CB 4.49Å; L62-V131 HydrophobicContact CB-CG1 4.15Å; L62-V131 HydrophobicContact CB-CG2 4.01Å; L62-V131 HydrophobicContact CD2-CG1 4.12Å; L62-V131 HydrophobicContact CD2-CG2 4.37Å; L62-V131 HydrophobicContact CG-CG1 4.12Å; L62-V131 WeakPolarHBondContact O-CA 3.45Å; L62-V131 WeakPolarHBondContact O-CG1 3.47Å; L62-D132 PolarHBondContact O-N 3.17Å; L62-D132 VanDerWaalsContact O-N 3.1Å
63H98.8Very high97Very high2 Ų230.3 Ų30.31%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-8987.7167.7-155.545.3000108.8D13 D14 L39 L40 N65 D132 H134D13-H63 IonicContact OD2-CE1 2.83Å; D13-H63 PolarHBondContact OD2-CE1 3.21Å; D13-H63 VanDerWaalsContact OD2-CE1 3.28Å; D13-H63 IonicContact OD2-NE2 3.69Å; D14-H63 IonicContact OD1-CD2 3.24Å; D14-H63 PolarHBondContact OD1-CD2 3.4Å; D14-H63 IonicContact OD1-NE2 3.39Å; D14-H63 PolarHBondContact OD1-NE2 3.26Å; L39-H63 PolarHBondContact O-N 3.03Å; L40-H63 HydrophobicContact CD2-CB 4.05Å; L40-H63 HydrophobicContact CG-CB 4.14Å; H63-N65 PolarHBondContact O-N 3.02Å; H63-D132 WeakPolarHBondContact CA-OD1 3.25Å; H63-D132 IonicContact CE1-OD1 3.59Å; H63-D132 IonicContact CG-OD1 3.52Å; H63-D132 IonicContact ND1-OD1 3.38Å; H63-D132 PolarHBondContact ND1-OD1 3.14Å; H63-D132 IonicContact ND1-OD2 3.3Å; H63-H134 AromaticContact CD2-CG 3.93Å; H63-H134 AromaticContact CD2-ND1 3.5Å; H63-H134 PolarHBondContact CD2-ND1 2.99Å; H63-H134 VanDerWaalsContact NE2-CA 3.31Å; H63-H134 WeakPolarHBondContact NE2-CA 3.34Å; H63-H134 AromaticContact NE2-CG 3.77Å; H63-H134 AromaticContact NE2-ND1 3.19Å; H63-H134 PolarHBondContact NE2-ND1 2.87Å; H63-H134 VanDerWaalsContact NE2-ND1 3.19Å
64A98.8Very high96.7Very high2 Ų233.8 Ų33.82%0.01717%0.167CC..EExtended strand (participates in β ladder)trans-63.1124.5-174.700000110.6L62 L113 V131 D132 G133 H134 F147L62-A64 PolarHBondContact O-N 3.46Å; A64-L113 HydrophobicContact CB-CD2 3.76Å; A64-V131 HydrophobicContact CB-CG1 3.83Å; A64-D132 VanDerWaalsContact CB-O 3.29Å; A64-D132 WeakPolarHBondContact CB-O 3.36Å; A64-D132 PolarHBondContact N-O 3.33Å; A64-G133 CarbonylContact O-C 3.59Å; A64-G133 WeakPolarHBondContact O-CA 3.37Å; A64-H134 PolarHBondContact O-N 2.9Å; A64-F147 HydrophobicContact CB-CE2 4.01Å
65N98.4Very high96.4Very high0 Ų029 Ų290%015%0.152CC..  trans-119.7119.6-171.6-17911.3000111.3L40 N42 H63 S67 E68 Q116 H134L40-N65 HydrophobicContact CD2-CB 3.8Å; N42-N65 PolarHBondContact ND2-ND2 2.78Å; N42-N65 PolarHBondContact OD1-ND2 3.39Å; H63-N65 PolarHBondContact O-N 3.02Å; N65-S67 PolarHBondContact OD1-N 3.45Å; N65-E68 PolarHBondContact ND2-O 2.91Å; N65-E68 PolarHBondContact OD1-N 2.99Å; N65-Q116 PolarHBondContact O-NE2 3.43Å; N65-H134 HydrophobicContact CB-CB 4.12Å
66L98.1Very high96Very high2 Ų229.1 Ų29.11%0.0115%0.153CC..SBendtrans-122.111.3176-62.6167.4000111.8F89 F95 V109 E112 L113 V137 V143L66-F89 WeakPolarHBondContact O-CD1 3.41Å; L66-F95 HydrophobicContact CB-CD1 4.31Å; L66-F95 HydrophobicContact CB-CE1 3.84Å; L66-F95 HydrophobicContact CB-CE2 4.34Å; L66-F95 HydrophobicContact CB-CZ 3.86Å; L66-F95 HydrophobicContact CD1-CE1 4.1Å; L66-F95 HydrophobicContact CD1-CZ 3.96Å; L66-F95 HydrophobicContact CG-CZ 4.49Å; L66-V109 HydrophobicContact CD1-CG1 3.69Å; L66-V109 HydrophobicContact CD2-CG1 4.3Å; L66-E112 HydrophobicContact CD2-CB 4.18Å; L66-E112 HydrophobicContact CD2-CG 3.81Å; L66-L113 HydrophobicContact CD1-CD2 4.47Å; L66-V137 HydrophobicContact CB-CG2 4.01Å; L66-V137 HydrophobicContact CD1-CG2 4.16Å; L66-V137 HydrophobicContact CG-CG2 4.31Å; L66-V143 HydrophobicContact CD1-CG1 3.9Å
67S96.4Very high95.4Very high1 Ų137 Ų371%0.00718%0.18CC..SBendtrans-138.3-11.1-164.458.10000115.2N65 G91 Q135N65-S67 PolarHBondContact OD1-N 3.45Å; S67-G91 CarbonylContact O-C 3.55Å; S67-G91 VanDerWaalsContact O-C 3.28Å; S67-G91 WeakPolarHBondContact O-CA 3.32Å; S67-G91 PolarHBondContact O-N 3.49Å; S67-Q135 VanDerWaalsContact CB-OE1 3.24Å; S67-Q135 PolarHBondContact OG-OE1 3.46Å
68E95.3Very high94.8Very high16 Ų1634.5 Ų34.58%0.07517%0.17CC..SBendtrans-132.9131.2178.4-170.8-178.6151.600112.1Y17 N42 N65 F89 H134 C257Y17-E68 WeakPolarHBondContact CE2-OE1 3.21Å; Y17-E68 VanDerWaalsContact CZ-OE1 3.29Å; Y17-E68 PolarHBondContact OH-OE1 2.86Å; N42-E68 PolarHBondContact ND2-O 3.08Å; N42-E68 VanDerWaalsContact ND2-O 3.14Å; N65-E68 PolarHBondContact ND2-O 2.91Å; N65-E68 PolarHBondContact OD1-N 2.99Å; E68-F89 WeakPolarHBondContact O-CD2 3.31Å; E68-H134 IonicContact OE2-CE1 2.7Å; E68-H134 IonicContact OE2-NE2 3.69Å; E68-H134 PolarHBondContact OE2-NE2 3.13Å; E68-C257 HydrophobicContact CB-CB 4.5Å; E68-C257 HydrophobicContact CG-CB 4.2Å; E68-C257 WeakPolarHBondContact O-CB 3.38Å
69G93.8Very high94.4Very high0 Ų039.7 Ų39.70%021%0.213CC..SBendtrans78.3-158.2171.600000114.6F88 F89 C257 E259G69-F88 CarbonylContact O-C 3.54Å; G69-F88 WeakPolarHBondContact O-CA 3.42Å; G69-F89 WeakPolarHBondContact O-CD2 3.04Å; G69-F89 PolarHBondContact O-N 3.44Å; G69-C257 CarbonylContact C-O 3.49Å; G69-C257 WeakPolarHBondContact CA-O 3.4Å; G69-E259 WeakPolarHBondContact CA-OE1 3.5Å; G69-E259 PolarHBondContact N-OE1 2.75Å
70R95Very high94.3Very high98 Ų9839.5 Ų39.537%0.3721%0.213SC..  trans-91.3145.5-177.1-63.2-170.2176.6-80.5-1.6111.2N42 E86 G87 F88 C257N42-R70 PolarHBondContact ND2-O 2.75Å; R70-E86 PolarHBondContact NH1-O 3.06Å; R70-E86 PolarHBondContact NH2-O 3.41Å; R70-G87 VanDerWaalsContact NH1-C 3.31Å; R70-G87 PolarHBondContact NH1-O 3.46Å; R70-F88 HydrophobicContact CG-CD1 3.48Å; R70-F88 VanDerWaalsContact CG-CD1 3.48Å; R70-F88 HydrophobicContact CG-CE1 3.55Å; R70-F88 HydrophobicContact CG-CG 4.45Å; R70-F88 VanDerWaalsContact NH2-CZ 3.3Å; R70-C257 PolarHBondContact N-O 3.23Å
71P96.3Very high94.3Very high4 Ų441 Ų413%0.02622%0.224CC..  trans-67.6155.4173.529.3-36.2000111.2A75 R76 L83 F89 E112P71-A75 HydrophobicContact CB-CB 4.24Å; P71-A75 HydrophobicContact CG-CB 4.03Å; P71-R76 HydrophobicContact CG-CB 4.13Å; P71-L83 HydrophobicContact CG-CD1 4.05Å; P71-L83 HydrophobicContact CG-CD2 3.84Å; P71-F89 HydrophobicContact CB-CE1 4.07Å; P71-F89 HydrophobicContact CB-CE2 4.27Å; P71-F89 HydrophobicContact CB-CZ 3.63Å; P71-E112 WeakPolarHBondContact CA-OE1 3.45Å; P71-E112 WeakPolarHBondContact CB-OE2 3.21Å
72V96.6Very high94.2Very high49 Ų4941 Ų4130%0.29722%0.224SC..SBendtrans-91.9-23.7170.1-55.80000112.1V41 N42 E112 A115 Q116V41-V72 HydrophobicContact CG2-CG1 4.38Å; N42-V72 HydrophobicContact CB-CG1 3.73Å; V72-E112 PolarHBondContact N-OE1 2.86Å; V72-E112 PolarHBondContact N-OE2 2.87Å; V72-A115 HydrophobicContact CG2-CB 3.86Å; V72-Q116 HydrophobicContact CG2-CB 4.26Å; V72-Q116 HydrophobicContact CG2-CG 3.45Å; V72-Q116 VanDerWaalsContact CG2-CG 3.45Å
73G94Very high94.1Very high8 Ų842.1 Ų42.18%0.08223%0.229CC..SBendtrans-85.4-166.4-174.600000115.3A75 R76 E112 A115G73-A75 PolarHBondContact O-N 3.37Å; G73-A75 VanDerWaalsContact O-N 3.16Å; G73-R76 WeakPolarHBondContact O-CB 3.42Å; G73-R76 PolarHBondContact O-N 2.95Å; G73-R76 VanDerWaalsContact O-N 3.13Å; G73-E112 VanDerWaalsContact CA-OE2 3.26Å; G73-E112 WeakPolarHBondContact CA-OE2 3.47Å; G73-E112 PolarHBondContact N-OE2 3.12Å; G73-A115 VanDerWaalsContact CA-CB 3.43Å
74P91.6Very high93.9Very high74 Ų7443 Ų4348%0.48124%0.239SC..G310 helixtrans-56.7-31.9-173.8-26.535.5000114.6R76 R77 E111P74-R76 PolarHBondContact O-N 2.81Å; P74-R77 PolarHBondContact O-N 2.86Å; P74-E111 HydrophobicContact CG-CB 4.32Å
75A90.3Very high93.5Very high14 Ų1449 Ų4912%0.11628%0.278CS..G310 helixtrans-52.6-24.7177.900000113.2P71 G73 R77 G78 L83P71-A75 HydrophobicContact CB-CB 4.24Å; P71-A75 HydrophobicContact CG-CB 4.03Å; G73-A75 PolarHBondContact O-N 3.37Å; G73-A75 VanDerWaalsContact O-N 3.16Å; A75-R77 PolarHBondContact O-N 2.97Å; A75-R77 VanDerWaalsContact O-N 3.07Å; A75-G78 PolarHBondContact O-N 2.88Å; A75-L83 HydrophobicContact CB-CD1 4.16Å; A75-L83 WeakPolarHBondContact O-CD1 3.46Å
76R88.4Confident93.2Very high159 Ų15955.1 Ų55.160%0.631%0.306SS*.G310 helixtrans-58.7-20.9176.3-167177.8-174.1-81.21.7114.2P71 G73 P74P71-R76 HydrophobicContact CG-CB 4.13Å; G73-R76 WeakPolarHBondContact O-CB 3.42Å; G73-R76 PolarHBondContact O-N 2.95Å; G73-R76 VanDerWaalsContact O-N 3.13Å; P74-R76 PolarHBondContact O-N 2.81Å
77R86.1Confident92.9Very high223 Ų22355.9 Ų55.984%0.84232%0.315SS*.G310 helixtrans-108.43-171.1-59.4-176.4-172.9-911.1114.3P74 A75P74-R77 PolarHBondContact O-N 2.86Å; A75-R77 PolarHBondContact O-N 2.97Å; A75-R77 VanDerWaalsContact O-N 3.07Å
78G82.9Confident92.9Very high48 Ų4857.7 Ų57.750%0.49532%0.323SS..SBendtrans-163.1-174.5-174.900000114.1A75A75-G78 PolarHBondContact O-N 2.88Å
79A88.4Confident92.9Very high110 Ų11057.2 Ų57.291%0.90932%0.321SS*.  trans-66.8138.2171.200000109.8
80S95.9Very high93.1Very high19 Ų1960 Ų6013%0.13334%0.335CS..  trans-147.8145.6-178.2168.50000109.5L82 L83 Q108S80-L82 PolarHBondContact O-N 3.28Å; S80-L82 WeakPolarHBondContact OG-CB 3.46Å; S80-L82 PolarHBondContact OG-N 3.35Å; S80-L82 VanDerWaalsContact OG-N 3.09Å; S80-L83 PolarHBondContact O-N 3.45Å; S80-Q108 VanDerWaalsContact CA-OE1 3.27Å; S80-Q108 VanDerWaalsContact CB-OE1 3.31Å; S80-Q108 PolarHBondContact OG-OE1 3.29Å
81S97.1Very high93.1Very high32 Ų3256.6 Ų56.622%0.22433%0.33CS..THydrogen-bonded Turntrans-69.1-1117361.70000112.9L90 D103 D105 Q108S81-L90 WeakPolarHBondContact O-CD1 3.49Å; S81-D103 WeakPolarHBondContact CB-O 3.47Å; S81-D105 VanDerWaalsContact OG-CB 3.3Å; S81-D105 WeakPolarHBondContact OG-CB 3.42Å; S81-D105 PolarHBondContact OG-N 3.38Å; S81-Q108 PolarHBondContact OG-OE1 3.27Å
82L97.4Very high93Very high0 Ų060 Ų600%035%0.345CS..THydrogen-bonded Turntrans-85.4-13.8179-51.1-176.8000112.4S80 F89 L90 F95 V104 Q108 V109 E112S80-L82 PolarHBondContact O-N 3.28Å; S80-L82 WeakPolarHBondContact OG-CB 3.46Å; S80-L82 PolarHBondContact OG-N 3.35Å; S80-L82 VanDerWaalsContact OG-N 3.09Å; L82-F89 HydrophobicContact CB-CD1 4.07Å; L82-F89 HydrophobicContact CB-CE1 4.1Å; L82-F89 HydrophobicContact CD1-CE1 4.31Å; L82-F89 WeakPolarHBondContact O-CA 3.47Å; L82-L90 PolarHBondContact O-N 3.32Å; L82-F95 HydrophobicContact CD2-CE2 3.86Å; L82-V104 HydrophobicContact CD2-CG1 3.78Å; L82-Q108 HydrophobicContact CD1-CB 4.07Å; L82-Q108 HydrophobicContact CG-CB 4.16Å; L82-V109 HydrophobicContact CD2-CG2 3.65Å; L82-E112 HydrophobicContact CD1-CB 4.17Å
83L97.1Very high93Very high23 Ų2362.3 Ų62.312%0.1235%0.354CS..BIsolated β-bridgetrans-120144.8-164.6-52.1-178.5000113P71 A75 S80 F88 F89P71-L83 HydrophobicContact CG-CD1 4.05Å; P71-L83 HydrophobicContact CG-CD2 3.84Å; A75-L83 HydrophobicContact CB-CD1 4.16Å; A75-L83 WeakPolarHBondContact O-CD1 3.46Å; S80-L83 PolarHBondContact O-N 3.45Å; L83-F88 CarbonylContact C-O 3.58Å; L83-F88 WeakPolarHBondContact CA-O 3.36Å; L83-F89 HydrophobicContact CD2-CD1 3.8Å; L83-F89 HydrophobicContact CD2-CE1 4.16Å; L83-F89 HydrophobicContact CD2-CG 4.32Å
84G94.7Very high93.1Very high21 Ų2163 Ų6322%0.21636%0.361CS..  trans-76.9176.1163.900000112.8E86 G87 F88G84-E86 PolarHBondContact O-N 3.24Å; G84-E86 VanDerWaalsContact O-N 3.11Å; G84-G87 PolarHBondContact O-N 3.4Å; G84-F88 PolarHBondContact N-O 2.91Å
85P90.6Very high93.4Very high128 Ų12859.5 Ų59.583%0.83134%0.338SS*.THydrogen-bonded Turntrans-56.2-29.9-176.8-25.234.4000114.8G87P85-G87 VanDerWaalsContact C-N 3.27Å; P85-G87 PolarHBondContact O-N 2.95Å
86E90.5Very high93.8Very high128 Ų12860 Ų6060%0.59834%0.337SS*.THydrogen-bonded Turntrans-84.90.5-178.5-60.573.9-159.300113.1R70 G84 F88R70-E86 PolarHBondContact NH1-O 3.06Å; R70-E86 PolarHBondContact NH2-O 3.41Å; G84-E86 PolarHBondContact O-N 3.24Å; G84-E86 VanDerWaalsContact O-N 3.11Å; E86-F88 HydrophobicContact CB-CD2 3.67Å; E86-F88 HydrophobicContact CB-CE2 3.95Å
87G93.1Very high94.3Very high19 Ų1958.4 Ų58.420%0.19634%0.336CS..SBendtrans74.624.9179.600000114.1R70 G84 P85R70-G87 VanDerWaalsContact NH1-C 3.31Å; R70-G87 PolarHBondContact NH1-O 3.46Å; G84-G87 PolarHBondContact O-N 3.4Å; P85-G87 VanDerWaalsContact C-N 3.27Å; P85-G87 PolarHBondContact O-N 2.95Å
88F94.9Very high94.9Very high38 Ų3848.3 Ų48.317%0.16730%0.301CS..SBendtrans-99.9156.5167.5-61.7-75.8000109.6G69 R70 L83 G84 E86 G258 E259G69-F88 CarbonylContact O-C 3.54Å; G69-F88 WeakPolarHBondContact O-CA 3.42Å; R70-F88 HydrophobicContact CG-CD1 3.48Å; R70-F88 VanDerWaalsContact CG-CD1 3.48Å; R70-F88 HydrophobicContact CG-CE1 3.55Å; R70-F88 HydrophobicContact CG-CG 4.45Å; R70-F88 VanDerWaalsContact NH2-CZ 3.3Å; L83-F88 CarbonylContact C-O 3.58Å; L83-F88 WeakPolarHBondContact CA-O 3.36Å; G84-F88 PolarHBondContact N-O 2.91Å; E86-F88 HydrophobicContact CB-CD2 3.67Å; E86-F88 HydrophobicContact CB-CE2 3.95Å; F88-G258 WeakPolarHBondContact CE1-O 3.46Å; F88-E259 HydrophobicContact CB-CG 4.35Å; F88-E259 HydrophobicContact CD1-CG 3.38Å; F88-E259 HydrophobicContact CD2-CG 4.09Å; F88-E259 HydrophobicContact CE1-CG 3.5Å; F88-E259 VanDerWaalsContact CE1-CG 3.5Å; F88-E259 HydrophobicContact CE2-CG 4.21Å; F88-E259 HydrophobicContact CG-CG 3.69Å; F88-E259 HydrophobicContact CZ-CG 3.91Å
89F97.3Very high95.6Very high7 Ų747 Ų473%0.03128%0.283CS..BIsolated β-bridgetrans-55.1154.4170.9-71.9-62.1000111.4L66 E68 G69 P71 L82 L83 G91 E112L66-F89 WeakPolarHBondContact O-CD1 3.41Å; E68-F89 WeakPolarHBondContact O-CD2 3.31Å; G69-F89 WeakPolarHBondContact O-CD2 3.04Å; G69-F89 PolarHBondContact O-N 3.44Å; P71-F89 HydrophobicContact CB-CE1 4.07Å; P71-F89 HydrophobicContact CB-CE2 4.27Å; P71-F89 HydrophobicContact CB-CZ 3.63Å; L82-F89 HydrophobicContact CB-CD1 4.07Å; L82-F89 HydrophobicContact CB-CE1 4.1Å; L82-F89 HydrophobicContact CD1-CE1 4.31Å; L82-F89 WeakPolarHBondContact O-CA 3.47Å; L83-F89 HydrophobicContact CD2-CD1 3.8Å; L83-F89 HydrophobicContact CD2-CE1 4.16Å; L83-F89 HydrophobicContact CD2-CG 4.32Å; F89-G91 PolarHBondContact O-N 3.11Å; F89-E112 HydrophobicContact CE1-CG 4.32Å; F89-E112 HydrophobicContact CZ-CG 3.9Å
90L96.5Very high96.1Very high59 Ų5946 Ų4631%0.30928%0.275SS..  trans-64.34.3-176.5-66.5171.3000115.3S81 L82 G94 F95 A98S81-L90 WeakPolarHBondContact O-CD1 3.49Å; L82-L90 PolarHBondContact O-N 3.32Å; L90-G94 VanDerWaalsContact O-CA 3.26Å; L90-G94 WeakPolarHBondContact O-CA 3.29Å; L90-F95 HydrophobicContact CB-CB 4.33Å; L90-A98 HydrophobicContact CD1-CB 3.78Å
91G95.3Very high96.2Very high26 Ų2648.1 Ų48.127%0.26829%0.294SS..Hα-helixtrans78.8168.2-174.700000112.8S67 F89 M93 F95S67-G91 CarbonylContact O-C 3.55Å; S67-G91 VanDerWaalsContact O-C 3.28Å; S67-G91 WeakPolarHBondContact O-CA 3.32Å; S67-G91 PolarHBondContact O-N 3.49Å; F89-G91 PolarHBondContact O-N 3.11Å; G91-M93 PolarHBondContact O-N 3.31Å; G91-F95 VanDerWaalsContact O-CB 3.29Å; G91-F95 WeakPolarHBondContact O-CB 3.38Å; G91-F95 PolarHBondContact O-N 3.48Å
92K94.7Very high96.2Very high75 Ų7549.5 Ų49.533%0.32631%0.313SS..Hα-helixtrans-50.4-51.4178.5-175.8175.5175.4179.40113.8R96 Q135K92-R96 WeakPolarHBondContact O-CD 3.34Å; K92-R96 VanDerWaalsContact O-CG 3.26Å; K92-R96 WeakPolarHBondContact O-CG 3.47Å; K92-Q135 HydrophobicContact CD-CB 4.31Å; K92-Q135 HydrophobicContact CD-CG 4.15Å; K92-Q135 HydrophobicContact CG-CB 4.13Å; K92-Q135 HydrophobicContact CG-CG 4.23Å
93M95.7Very high96.2Very high98 Ų9855.1 Ų55.148%0.48334%0.343SS..Hα-helixtrans-86.1-40.1-175-65.3-52.9-56.200111.3G91 F95 R96 E97G91-M93 PolarHBondContact O-N 3.31Å; M93-F95 VanDerWaalsContact C-N 3.35Å; M93-F95 PolarHBondContact O-N 2.85Å; M93-R96 PolarHBondContact O-N 2.73Å; M93-R96 VanDerWaalsContact O-N 3.13Å; M93-E97 WeakPolarHBondContact O-CB 3.39Å; M93-E97 VanDerWaalsContact O-CG 3.3Å; M93-E97 WeakPolarHBondContact O-CG 3.47Å; M93-E97 PolarHBondContact O-N 3.28Å
94G97.4Very high96.3Very high23 Ų2354.8 Ų54.824%0.23734%0.342CS..Hα-helixtrans-62.1-40.1178.700000112.7L90 R96 E97 A98L90-G94 VanDerWaalsContact O-CA 3.26Å; L90-G94 WeakPolarHBondContact O-CA 3.29Å; G94-R96 PolarHBondContact O-N 2.86Å; G94-E97 PolarHBondContact O-N 3.38Å; G94-A98 WeakPolarHBondContact O-CB 3.4Å; G94-A98 PolarHBondContact O-N 3.37Å
95F98.1Very high96.4Very high0 Ų057.1 Ų57.10%035%0.349CS..Hα-helixtrans-63.8-41.4174.3-173.8-111.9000112L66 L82 L90 G91 M93 A98 V99 V104 V109 V137 L140 V143L66-F95 HydrophobicContact CB-CD1 4.31Å; L66-F95 HydrophobicContact CB-CE1 3.84Å; L66-F95 HydrophobicContact CB-CE2 4.34Å; L66-F95 HydrophobicContact CB-CZ 3.86Å; L66-F95 HydrophobicContact CD1-CE1 4.1Å; L66-F95 HydrophobicContact CD1-CZ 3.96Å; L66-F95 HydrophobicContact CG-CZ 4.49Å; L82-F95 HydrophobicContact CD2-CE2 3.86Å; L90-F95 HydrophobicContact CB-CB 4.33Å; G91-F95 VanDerWaalsContact O-CB 3.29Å; G91-F95 WeakPolarHBondContact O-CB 3.38Å; G91-F95 PolarHBondContact O-N 3.48Å; M93-F95 VanDerWaalsContact C-N 3.35Å; M93-F95 PolarHBondContact O-N 2.85Å; F95-A98 PolarHBondContact O-N 3.25Å; F95-V99 HydrophobicContact CD1-CG2 4.36Å; F95-V99 HydrophobicContact CE1-CG2 3.98Å; F95-V99 HydrophobicContact CE2-CG2 4.24Å; F95-V99 HydrophobicContact CZ-CG2 3.91Å; F95-V99 WeakPolarHBondContact O-CG2 3.32Å; F95-V99 PolarHBondContact O-N 3.18Å; F95-V104 HydrophobicContact CD2-CG2 4.3Å; F95-V104 HydrophobicContact CE2-CG1 4.02Å; F95-V104 HydrophobicContact CE2-CG2 3.97Å; F95-V104 HydrophobicContact CZ-CG1 4.4Å; F95-V109 HydrophobicContact CZ-CG2 4.38Å; F95-V137 HydrophobicContact CD1-CB 4.17Å; F95-V137 HydrophobicContact CD1-CG1 3.91Å; F95-V137 HydrophobicContact CE1-CB 4.07Å; F95-V137 HydrophobicContact CE1-CG1 4.33Å; F95-L140 HydrophobicContact CD1-CD1 3.89Å; F95-L140 HydrophobicContact CE1-CD1 3.86Å; F95-V143 HydrophobicContact CE1-CG2 4.22Å; F95-V143 HydrophobicContact CZ-CG2 4.1Å
96R98.3Very high96.8Very high25 Ų2553.9 Ų53.99%0.09432%0.324CS..Hα-helixtrans-65-41.3177.5-71.7-179.2171.1-84.4-7.2112.3K92 M93 G94 V99 A100 Q135 H136 L140 D187K92-R96 WeakPolarHBondContact O-CD 3.34Å; K92-R96 VanDerWaalsContact O-CG 3.26Å; K92-R96 WeakPolarHBondContact O-CG 3.47Å; M93-R96 PolarHBondContact O-N 2.73Å; M93-R96 VanDerWaalsContact O-N 3.13Å; G94-R96 PolarHBondContact O-N 2.86Å; R96-V99 PolarHBondContact O-N 3.29Å; R96-A100 WeakPolarHBondContact O-CB 3.28Å; R96-A100 PolarHBondContact O-N 3.17Å; R96-Q135 PolarHBondContact NH2-O 2.96Å; R96-H136 PolarHBondContact NH2-O 3.33Å; R96-L140 HydrophobicContact CG-CD1 3.91Å; R96-L140 HydrophobicContact CG-CD2 4.14Å; R96-D187 IonicContact NH1-OD2 2.73Å; R96-D187 PolarHBondContact NH1-OD2 3.33Å
97E98.3Very high97.1Very high124 Ų12451.5 Ų51.558%0.57932%0.32SS*.Hα-helixtrans-64.5-45.5176.7-72.9163.8-167.800110.9M93 G94 V99 A100 A101M93-E97 WeakPolarHBondContact O-CB 3.39Å; M93-E97 VanDerWaalsContact O-CG 3.3Å; M93-E97 WeakPolarHBondContact O-CG 3.47Å; M93-E97 PolarHBondContact O-N 3.28Å; G94-E97 PolarHBondContact O-N 3.38Å; E97-V99 PolarHBondContact O-N 3.1Å; E97-A100 PolarHBondContact O-N 3.45Å; E97-A101 WeakPolarHBondContact O-CB 3.39Å; E97-A101 PolarHBondContact O-N 3.3Å
98A98.3Very high97.4Very high12 Ų1252.5 Ų52.510%0.09932%0.32CS..Hα-helixtrans-62.9-41.4176.300000112.3L90 G94 F95 A101 G102 D103 V104L90-A98 HydrophobicContact CD1-CB 3.78Å; G94-A98 WeakPolarHBondContact O-CB 3.4Å; G94-A98 PolarHBondContact O-N 3.37Å; F95-A98 PolarHBondContact O-N 3.25Å; A98-A101 PolarHBondContact O-N 3.24Å; A98-G102 PolarHBondContact O-N 3.07Å; A98-D103 HydrophobicContact CB-CB 4.34Å; A98-D103 PolarHBondContact O-N 2.73Å; A98-V104 HydrophobicContact CB-CG2 3.64Å
99V98.4Very high97.6Very high20 Ų2050.7 Ų50.712%0.12131%0.312CS..Hα-helixtrans-62.3-44173.5170.60000111.1F95 R96 E97 A101 G102 V104 L140 P141 V143F95-V99 HydrophobicContact CD1-CG2 4.36Å; F95-V99 HydrophobicContact CE1-CG2 3.98Å; F95-V99 HydrophobicContact CE2-CG2 4.24Å; F95-V99 HydrophobicContact CZ-CG2 3.91Å; F95-V99 WeakPolarHBondContact O-CG2 3.32Å; F95-V99 PolarHBondContact O-N 3.18Å; R96-V99 PolarHBondContact O-N 3.29Å; E97-V99 PolarHBondContact O-N 3.1Å; V99-A101 VanDerWaalsContact C-N 3.29Å; V99-A101 PolarHBondContact O-N 3.44Å; V99-G102 PolarHBondContact O-N 2.91Å; V99-G102 VanDerWaalsContact O-N 3.17Å; V99-V104 HydrophobicContact CG2-CB 4.15Å; V99-V104 HydrophobicContact CG2-CG1 4.46Å; V99-V104 HydrophobicContact CG2-CG2 3.8Å; V99-L140 HydrophobicContact CG1-CB 4.29Å; V99-L140 HydrophobicContact CG2-CD1 4.31Å; V99-P141 VanDerWaalsContact CG1-O 3.3Å; V99-P141 WeakPolarHBondContact CG1-O 3.42Å; V99-V143 HydrophobicContact CG2-CG2 4Å
100A97.7Very high97.6Very high89 Ų8953.9 Ų53.974%0.73632%0.324SS*.Hα-helixtrans-66.3-31.9179.400000112.9R96 E97 G102R96-A100 WeakPolarHBondContact O-CB 3.28Å; R96-A100 PolarHBondContact O-N 3.17Å; E97-A100 PolarHBondContact O-N 3.45Å; A100-G102 VanDerWaalsContact C-N 3.33Å
101A98Very high97.7Very high64 Ų6455.5 Ų55.553%0.52933%0.33SS..Hα-helixtrans-77.6-16.5174.900000113.4E97 A98 V99 D103E97-A101 WeakPolarHBondContact O-CB 3.39Å; E97-A101 PolarHBondContact O-N 3.3Å; A98-A101 PolarHBondContact O-N 3.24Å; V99-A101 VanDerWaalsContact C-N 3.29Å; V99-A101 PolarHBondContact O-N 3.44Å; A101-D103 VanDerWaalsContact CB-OD2 3.25Å; A101-D103 WeakPolarHBondContact CB-OD2 3.39Å
102G97.8Very high97.9Very high61 Ų6154.3 Ų54.363%0.62932%0.317SS*.THydrogen-bonded Turntrans80.117.5-17400000113.7A98 V99 A100 V104A98-G102 PolarHBondContact O-N 3.07Å; V99-G102 PolarHBondContact O-N 2.91Å; V99-G102 VanDerWaalsContact O-N 3.17Å; A100-G102 VanDerWaalsContact C-N 3.33Å; G102-V104 VanDerWaalsContact C-N 3.32Å
103D97.9Very high98.1Very high117 Ų11751 Ų5163%0.62630%0.303SS*.  trans-85.7-5-176.3-65.4-30.9000113.1S81 A98 A101S81-D103 WeakPolarHBondContact CB-O 3.47Å; A98-D103 HydrophobicContact CB-CB 4.34Å; A98-D103 PolarHBondContact O-N 2.73Å; A101-D103 VanDerWaalsContact CB-OD2 3.25Å; A101-D103 WeakPolarHBondContact CB-OD2 3.39Å
104V98.2Very high98.2Very high17 Ų1748.8 Ų48.810%0.10329%0.292CS..SBendtrans-92.8121.7179.91740000111.3L82 F95 A98 V99 G102 L106 V109L82-V104 HydrophobicContact CD2-CG1 3.78Å; F95-V104 HydrophobicContact CD2-CG2 4.3Å; F95-V104 HydrophobicContact CE2-CG1 4.02Å; F95-V104 HydrophobicContact CE2-CG2 3.97Å; F95-V104 HydrophobicContact CZ-CG1 4.4Å; A98-V104 HydrophobicContact CB-CG2 3.64Å; V99-V104 HydrophobicContact CG2-CB 4.15Å; V99-V104 HydrophobicContact CG2-CG1 4.46Å; V99-V104 HydrophobicContact CG2-CG2 3.8Å; G102-V104 VanDerWaalsContact C-N 3.32Å; V104-L106 PolarHBondContact O-N 3.41Å; V104-V109 HydrophobicContact CG1-CG2 3.54Å
105D97.9Very high98.3Very high69 Ų6948.8 Ų48.837%0.36929%0.289SS..  trans-74.2102.7171.9-170.52.7000110.5S81 P107 Q108 V109S81-D105 VanDerWaalsContact OG-CB 3.3Å; S81-D105 WeakPolarHBondContact OG-CB 3.42Å; S81-D105 PolarHBondContact OG-N 3.38Å; D105-P107 WeakPolarHBondContact OD1-CD 3.28Å; D105-P107 WeakPolarHBondContact OD1-CG 3.41Å; D105-Q108 HydrophobicContact CB-CB 4.38Å; D105-Q108 HydrophobicContact CB-CG 3.97Å; D105-Q108 WeakPolarHBondContact O-CB 3.37Å; D105-Q108 PolarHBondContact O-N 3.49Å; D105-Q108 PolarHBondContact OD2-NE2 2.92Å; D105-V109 PolarHBondContact O-N 3Å
106L98.2Very high98.3Very high60 Ų6048.8 Ų48.831%0.31429%0.289SS..Hα-helixtrans-59.1-37.5-177-71.8-176.9000114.4V104 Q108 V109 R110 V143 V146V104-L106 PolarHBondContact O-N 3.41Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-Q108 PolarHBondContact O-N 3.3Å; L106-V109 HydrophobicContact CD2-CG2 4.42Å; L106-V109 WeakPolarHBondContact O-CB 3.01Å; L106-V109 PolarHBondContact O-N 3.42Å; L106-V109 VanDerWaalsContact O-N 3.13Å; L106-R110 PolarHBondContact O-N 2.85Å; L106-V143 HydrophobicContact CD2-CG2 4.39Å; L106-V146 HydrophobicContact CB-CG2 3.91Å; L106-V146 HydrophobicContact CD1-CG2 4.39Å; L106-V146 HydrophobicContact CD2-CG2 4.23Å; L106-V146 HydrophobicContact CG-CG2 4.41Å
107P97.9Very high98.3Very high78 Ų7847.9 Ų47.951%0.50629%0.286SS..Hα-helixtrans-48.5-42.9164.5-3331.1000114.9D105 V109 R110 E111D105-P107 WeakPolarHBondContact OD1-CD 3.28Å; D105-P107 WeakPolarHBondContact OD1-CG 3.41Å; P107-V109 VanDerWaalsContact C-N 3.33Å; P107-V109 PolarHBondContact O-N 3.46Å; P107-R110 WeakPolarHBondContact O-CB 3.44Å; P107-R110 PolarHBondContact O-N 2.68Å; P107-E111 WeakPolarHBondContact O-CG 3.03Å; P107-E111 PolarHBondContact O-N 3.21Å
108Q98.1Very high98.3Very high41 Ų4143.4 Ų43.419%0.19227%0.268CS..Hα-helixtrans-68.7-35.1177.8-62.4177.62400111.6S80 S81 L82 D105 L106 R110 E111 E112S80-Q108 VanDerWaalsContact CA-OE1 3.27Å; S80-Q108 VanDerWaalsContact CB-OE1 3.31Å; S80-Q108 PolarHBondContact OG-OE1 3.29Å; S81-Q108 PolarHBondContact OG-OE1 3.27Å; L82-Q108 HydrophobicContact CD1-CB 4.07Å; L82-Q108 HydrophobicContact CG-CB 4.16Å; D105-Q108 HydrophobicContact CB-CB 4.38Å; D105-Q108 HydrophobicContact CB-CG 3.97Å; D105-Q108 WeakPolarHBondContact O-CB 3.37Å; D105-Q108 PolarHBondContact O-N 3.49Å; D105-Q108 PolarHBondContact OD2-NE2 2.92Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-Q108 PolarHBondContact O-N 3.3Å; Q108-R110 VanDerWaalsContact C-N 3.3Å; Q108-R110 PolarHBondContact O-N 2.68Å; Q108-E111 PolarHBondContact O-N 3.35Å; Q108-E112 PolarHBondContact O-N 3.34Å
109V98.6Very high98.3Very high0 Ų044.2 Ų44.20%027%0.273CS..Hα-helixtrans-59.7-43.7171.8176.60000110.5L66 L82 F95 V104 D105 L106 P107 E112 L113 V143 V146L66-V109 HydrophobicContact CD1-CG1 3.69Å; L66-V109 HydrophobicContact CD2-CG1 4.3Å; L82-V109 HydrophobicContact CD2-CG2 3.65Å; F95-V109 HydrophobicContact CZ-CG2 4.38Å; V104-V109 HydrophobicContact CG1-CG2 3.54Å; D105-V109 PolarHBondContact O-N 3Å; L106-V109 HydrophobicContact CD2-CG2 4.42Å; L106-V109 WeakPolarHBondContact O-CB 3.01Å; L106-V109 PolarHBondContact O-N 3.42Å; L106-V109 VanDerWaalsContact O-N 3.13Å; P107-V109 VanDerWaalsContact C-N 3.33Å; P107-V109 PolarHBondContact O-N 3.46Å; V109-E112 PolarHBondContact O-N 3.48Å; V109-L113 HydrophobicContact CG1-CD1 3.88Å; V109-L113 HydrophobicContact CG1-CG 4.36Å; V109-L113 WeakPolarHBondContact O-CB 3.32Å; V109-L113 VanDerWaalsContact O-CG 3.25Å; V109-L113 WeakPolarHBondContact O-CG 3.23Å; V109-L113 PolarHBondContact O-N 3.31Å; V109-V143 HydrophobicContact CG1-CG1 4.17Å; V109-V146 HydrophobicContact CB-CG1 4.45Å; V109-V146 HydrophobicContact CG1-CG1 4.2Å
110R98.5Very high98.3Very high74 Ų7443.3 Ų43.328%0.27927%0.268SS..Hα-helixtrans-59.9-52.1176.5-179-179.7-90.7-96.210.8111.2L106 P107 Q108 E112 L113 E114 V146 E149L106-R110 PolarHBondContact O-N 2.85Å; P107-R110 WeakPolarHBondContact O-CB 3.44Å; P107-R110 PolarHBondContact O-N 2.68Å; Q108-R110 VanDerWaalsContact C-N 3.3Å; Q108-R110 PolarHBondContact O-N 2.68Å; R110-E112 VanDerWaalsContact C-N 3.26Å; R110-E112 PolarHBondContact O-N 2.86Å; R110-L113 PolarHBondContact O-N 2.95Å; R110-E114 WeakPolarHBondContact CD-OE1 3.19Å; R110-E114 HydrophobicContact CG-CG 4.16Å; R110-E114 WeakPolarHBondContact CG-OE1 3.44Å; R110-E114 IonicContact CZ-OE1 2.98Å; R110-E114 IonicContact NH1-OE1 3.13Å; R110-E114 PolarHBondContact NH1-OE1 3.39Å; R110-E114 WeakPolarHBondContact O-CB 3.26Å; R110-E114 VanDerWaalsContact O-CG 3.32Å; R110-E114 WeakPolarHBondContact O-CG 3.42Å; R110-E114 PolarHBondContact O-N 3.03Å; R110-V146 VanDerWaalsContact CA-CG1 3.44Å; R110-V146 HydrophobicContact CB-CG1 3.45Å; R110-V146 VanDerWaalsContact CB-CG1 3.45Å; R110-V146 HydrophobicContact CG-CG1 4.2Å; R110-E149 IonicContact CZ-OE2 3.98Å; R110-E149 IonicContact NE-OE2 2.93Å; R110-E149 IonicContact NH2-OE2 3.15Å; R110-E149 PolarHBondContact NH2-OE2 2.88Å
111E98.4Very high98.4Very high92 Ų9245.6 Ų45.643%0.4326%0.257SS..Hα-helixtrans-56.5-42.3-179-72174.9-177.700111.8P74 P107 Q108 A115P74-E111 HydrophobicContact CG-CB 4.32Å; P107-E111 WeakPolarHBondContact O-CG 3.03Å; P107-E111 PolarHBondContact O-N 3.21Å; Q108-E111 PolarHBondContact O-N 3.35Å; E111-A115 VanDerWaalsContact O-CB 3.28Å; E111-A115 WeakPolarHBondContact O-CB 3.32Å; E111-A115 PolarHBondContact O-N 3.12Å
112E98.7Very high98.3Very high2 Ų249.8 Ų49.81%0.00927%0.266CS..Hα-helixtrans-67.1-44.6177.1179.357.2-161.100112.2L66 P71 V72 G73 L82 F89 Q108 V109 R110 E114 A115 Q116L66-E112 HydrophobicContact CD2-CB 4.18Å; L66-E112 HydrophobicContact CD2-CG 3.81Å; P71-E112 WeakPolarHBondContact CA-OE1 3.45Å; P71-E112 WeakPolarHBondContact CB-OE2 3.21Å; V72-E112 PolarHBondContact N-OE1 2.86Å; V72-E112 PolarHBondContact N-OE2 2.87Å; G73-E112 VanDerWaalsContact CA-OE2 3.26Å; G73-E112 WeakPolarHBondContact CA-OE2 3.47Å; G73-E112 PolarHBondContact N-OE2 3.12Å; L82-E112 HydrophobicContact CD1-CB 4.17Å; F89-E112 HydrophobicContact CE1-CG 4.32Å; F89-E112 HydrophobicContact CZ-CG 3.9Å; Q108-E112 PolarHBondContact O-N 3.34Å; V109-E112 PolarHBondContact O-N 3.48Å; R110-E112 VanDerWaalsContact C-N 3.26Å; R110-E112 PolarHBondContact O-N 2.86Å; E112-E114 PolarHBondContact O-N 3.38Å; E112-A115 PolarHBondContact O-N 3.08Å; E112-Q116 WeakPolarHBondContact O-CG 3.18Å; E112-Q116 PolarHBondContact O-N 2.84Å; E112-Q116 PolarHBondContact OE1-NE2 2.86Å
113L98.8Very high98.3Very high4 Ų447.9 Ų47.92%0.02124%0.241CC..Hα-helixtrans-62.7-43.1177.7-71.2172.4000112.1A64 L66 V109 R110 A115 Q116 L117 V146 F147 A150A64-L113 HydrophobicContact CB-CD2 3.76Å; L66-L113 HydrophobicContact CD1-CD2 4.47Å; V109-L113 HydrophobicContact CG1-CD1 3.88Å; V109-L113 HydrophobicContact CG1-CG 4.36Å; V109-L113 WeakPolarHBondContact O-CB 3.32Å; V109-L113 VanDerWaalsContact O-CG 3.25Å; V109-L113 WeakPolarHBondContact O-CG 3.23Å; V109-L113 PolarHBondContact O-N 3.31Å; R110-L113 PolarHBondContact O-N 2.95Å; L113-A115 VanDerWaalsContact C-N 3.33Å; L113-Q116 PolarHBondContact O-N 2.97Å; L113-L117 WeakPolarHBondContact O-CB 3.37Å; L113-L117 VanDerWaalsContact O-CG 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.27Å; L113-L117 PolarHBondContact O-N 3.42Å; L113-V146 HydrophobicContact CD1-CG1 4.32Å; L113-F147 HydrophobicContact CD1-CB 4.11Å; L113-F147 HydrophobicContact CD1-CD2 4.13Å; L113-F147 HydrophobicContact CD2-CD2 4.15Å; L113-A150 HydrophobicContact CB-CB 4.32Å
114E98.6Very high98.3Very high53 Ų5342.9 Ų42.925%0.24821%0.214CC..Hα-helixtrans-65.5-37.3176.8-67.8-178.2-177.900111.4R110 E112 L117 S118 A150 Y154R110-E114 WeakPolarHBondContact CD-OE1 3.19Å; R110-E114 HydrophobicContact CG-CG 4.16Å; R110-E114 WeakPolarHBondContact CG-OE1 3.44Å; R110-E114 IonicContact CZ-OE1 2.98Å; R110-E114 IonicContact NH1-OE1 3.13Å; R110-E114 PolarHBondContact NH1-OE1 3.39Å; R110-E114 WeakPolarHBondContact O-CB 3.26Å; R110-E114 VanDerWaalsContact O-CG 3.32Å; R110-E114 WeakPolarHBondContact O-CG 3.42Å; R110-E114 PolarHBondContact O-N 3.03Å; E112-E114 PolarHBondContact O-N 3.38Å; E114-L117 PolarHBondContact O-N 2.95Å; E114-S118 WeakPolarHBondContact O-CB 3.34Å; E114-S118 PolarHBondContact O-N 2.88Å; E114-S118 PolarHBondContact O-OG 2.99Å; E114-A150 HydrophobicContact CG-CB 4.25Å; E114-Y154 HydrophobicContact CB-CE2 3.94Å; E114-Y154 HydrophobicContact CG-CE2 3.76Å; E114-Y154 PolarHBondContact O-OH 3.35Å
115A98.6Very high98.2Very high23 Ų2345.4 Ų45.419%0.1924%0.243CC..Hα-helixtrans-66-41.1173.400000112.1V72 G73 E111 E112 L113 S118 C119V72-A115 HydrophobicContact CG2-CB 3.86Å; G73-A115 VanDerWaalsContact CA-CB 3.43Å; E111-A115 VanDerWaalsContact O-CB 3.28Å; E111-A115 WeakPolarHBondContact O-CB 3.32Å; E111-A115 PolarHBondContact O-N 3.12Å; E112-A115 PolarHBondContact O-N 3.08Å; L113-A115 VanDerWaalsContact C-N 3.33Å; A115-S118 PolarHBondContact O-N 3.26Å; A115-C119 VanDerWaalsContact O-CB 3.32Å; A115-C119 WeakPolarHBondContact O-CB 3.27Å; A115-C119 PolarHBondContact O-N 3.46Å
116Q98.8Very high98.1Very high0 Ų046.7 Ų46.70%024%0.243CC..Hα-helixtrans-65.6-41.3175.2-71.7-177.433.700112.6V41 L62 N65 V72 E112 L113 S118 C119 F120V41-Q116 HydrophobicContact CG2-CB 3.7Å; V41-Q116 HydrophobicContact CG2-CG 3.63Å; L62-Q116 HydrophobicContact CD1-CB 4.3Å; L62-Q116 HydrophobicContact CD2-CB 4.08Å; N65-Q116 PolarHBondContact O-NE2 3.43Å; V72-Q116 HydrophobicContact CG2-CB 4.26Å; V72-Q116 HydrophobicContact CG2-CG 3.45Å; V72-Q116 VanDerWaalsContact CG2-CG 3.45Å; E112-Q116 WeakPolarHBondContact O-CG 3.18Å; E112-Q116 PolarHBondContact O-N 2.84Å; E112-Q116 PolarHBondContact OE1-NE2 2.86Å; L113-Q116 PolarHBondContact O-N 2.97Å; Q116-S118 VanDerWaalsContact C-N 3.35Å; Q116-C119 PolarHBondContact O-N 2.9Å; Q116-F120 WeakPolarHBondContact O-CB 3.34Å; Q116-F120 PolarHBondContact O-N 3.3Å
117L98.8Very high98Very high5 Ų546.4 Ų46.43%0.02625%0.249CC..Hα-helixtrans-62.2-41.8174.2-75.4162.6000111.8L62 L113 E114 R121 P128 V131 A150 Y154 V156L62-L117 HydrophobicContact CD2-CD2 3.67Å; L62-L117 HydrophobicContact CD2-CG 3.82Å; L113-L117 WeakPolarHBondContact O-CB 3.37Å; L113-L117 VanDerWaalsContact O-CG 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.27Å; L113-L117 PolarHBondContact O-N 3.42Å; E114-L117 PolarHBondContact O-N 2.95Å; L117-R121 PolarHBondContact O-N 3.32Å; L117-R121 VanDerWaalsContact O-N 3.08Å; L117-P128 HydrophobicContact CD2-CG 4.08Å; L117-V131 HydrophobicContact CD2-CG2 3.9Å; L117-A150 HydrophobicContact CD1-CB 4.27Å; L117-Y154 HydrophobicContact CB-CD1 3.63Å; L117-Y154 HydrophobicContact CB-CD2 4.47Å; L117-Y154 HydrophobicContact CB-CE1 3.71Å; L117-Y154 HydrophobicContact CB-CG 4.03Å; L117-Y154 HydrophobicContact CD1-CD1 4.3Å; L117-Y154 HydrophobicContact CD1-CD2 3.81Å; L117-Y154 HydrophobicContact CD1-CE2 4.31Å; L117-Y154 HydrophobicContact CD1-CG 3.8Å; L117-Y154 HydrophobicContact CG-CD1 4.45Å; L117-Y154 HydrophobicContact CG-CG 4.4Å; L117-V156 HydrophobicContact CD2-CG2 4.24Å
118S98.5Very high97.9Very high30 Ų3043.2 Ų43.221%0.2123%0.228CC..Hα-helixtrans-64.4-48.2175.5-68.20000111.8E114 A115 Q116 F120 R121 E122 Y154E114-S118 WeakPolarHBondContact O-CB 3.34Å; E114-S118 PolarHBondContact O-N 2.88Å; E114-S118 PolarHBondContact O-OG 2.99Å; A115-S118 PolarHBondContact O-N 3.26Å; Q116-S118 VanDerWaalsContact C-N 3.35Å; S118-F120 VanDerWaalsContact C-N 3.34Å; S118-F120 PolarHBondContact O-N 2.96Å; S118-R121 PolarHBondContact O-N 3.14Å; S118-R121 VanDerWaalsContact O-N 3.12Å; S118-E122 WeakPolarHBondContact O-CG 3.47Å; S118-E122 PolarHBondContact O-N 3.3Å; S118-Y154 PolarHBondContact OG-OH 3.43Å
119C98.5Very high97.8Very high30 Ų3042 Ų4220%0.20322%0.224CC..Hα-helixtrans-59.7-43.2176.8-178.10000111.6V41 A115 Q116 R121 E122 L123V41-C119 HydrophobicContact CB-CB 4.38Å; A115-C119 VanDerWaalsContact O-CB 3.32Å; A115-C119 WeakPolarHBondContact O-CB 3.27Å; A115-C119 PolarHBondContact O-N 3.46Å; Q116-C119 PolarHBondContact O-N 2.9Å; C119-R121 VanDerWaalsContact C-N 3.32Å; C119-R121 PolarHBondContact O-N 3.49Å; C119-E122 PolarHBondContact O-N 3Å; C119-L123 WeakPolarHBondContact O-CB 3.28Å; C119-L123 WeakPolarHBondContact O-CG 3.46Å; C119-L123 PolarHBondContact O-N 3Å
120F98.7Very high97.8Very high0 Ų042.1 Ų42.10%023%0.225CC..Hα-helixtrans-56.2-47.9173.8-177-81.1000111.4L39 V41 T60 G61 L62 Q116 S118 E122 L123 M124 P128L39-F120 HydrophobicContact CB-CD2 4.42Å; L39-F120 HydrophobicContact CB-CE2 4.08Å; L39-F120 HydrophobicContact CD2-CD2 4.04Å; L39-F120 HydrophobicContact CD2-CE2 4.02Å; V41-F120 HydrophobicContact CG1-CB 3.87Å; V41-F120 HydrophobicContact CG1-CD2 4.15Å; T60-F120 HydrophobicContact CG2-CE2 3.81Å; T60-F120 HydrophobicContact CG2-CZ 3.9Å; G61-F120 VanDerWaalsContact O-CE2 3.28Å; G61-F120 WeakPolarHBondContact O-CE2 3.2Å; L62-F120 HydrophobicContact CB-CD2 3.92Å; L62-F120 HydrophobicContact CB-CE2 4.4Å; L62-F120 HydrophobicContact CB-CG 4.34Å; L62-F120 HydrophobicContact CD1-CB 4.39Å; L62-F120 HydrophobicContact CD1-CD2 4.26Å; Q116-F120 WeakPolarHBondContact O-CB 3.34Å; Q116-F120 PolarHBondContact O-N 3.3Å; S118-F120 VanDerWaalsContact C-N 3.34Å; S118-F120 PolarHBondContact O-N 2.96Å; F120-E122 VanDerWaalsContact C-N 3.31Å; F120-E122 PolarHBondContact O-N 2.85Å; F120-L123 PolarHBondContact O-N 2.93Å; F120-M124 HydrophobicContact CD1-CB 4.22Å; F120-M124 HydrophobicContact CD1-CG 4.18Å; F120-M124 HydrophobicContact CD2-CG 4.35Å; F120-M124 HydrophobicContact CE1-CB 3.79Å; F120-M124 HydrophobicContact CE1-CG 3.71Å; F120-M124 HydrophobicContact CE2-CG 3.93Å; F120-M124 HydrophobicContact CG-CG 4.46Å; F120-M124 HydrophobicContact CZ-CB 4.16Å; F120-M124 HydrophobicContact CZ-CG 3.6Å; F120-M124 WeakPolarHBondContact O-CB 3.4Å; F120-M124 PolarHBondContact O-N 3.07Å; F120-P128 HydrophobicContact CD1-CB 3.85Å; F120-P128 HydrophobicContact CD1-CG 4.15Å; F120-P128 HydrophobicContact CD2-CB 4.46Å; F120-P128 HydrophobicContact CE1-CB 3.51Å; F120-P128 HydrophobicContact CE1-CG 4.25Å; F120-P128 VanDerWaalsContact CE1-N 3.32Å; F120-P128 HydrophobicContact CE2-CB 4.14Å; F120-P128 HydrophobicContact CG-CB 4.33Å; F120-P128 HydrophobicContact CZ-CB 3.65Å
121R98.1Very high97.8Very high137 Ų13738.7 Ų38.752%0.51721%0.212SC..Hα-helixtrans-63.1-38.8-178.7-175177.165.2179.7-2111.8L117 S118 C119 G125 R126L117-R121 PolarHBondContact O-N 3.32Å; L117-R121 VanDerWaalsContact O-N 3.08Å; S118-R121 PolarHBondContact O-N 3.14Å; S118-R121 VanDerWaalsContact O-N 3.12Å; C119-R121 VanDerWaalsContact C-N 3.32Å; C119-R121 PolarHBondContact O-N 3.49Å; R121-G125 VanDerWaalsContact O-CA 3.24Å; R121-G125 WeakPolarHBondContact O-CA 3.24Å; R121-G125 PolarHBondContact O-N 2.92Å; R121-R126 WeakPolarHBondContact CA-O 3.34Å
122E97.8Very high97.8Very high152 Ų15234.3 Ų34.371%0.7119%0.191SC*.Hα-helixtrans-64.6-48174.8-70.8172.1-173.600111.4S118 C119 F120S118-E122 WeakPolarHBondContact O-CG 3.47Å; S118-E122 PolarHBondContact O-N 3.3Å; C119-E122 PolarHBondContact O-N 3Å; F120-E122 VanDerWaalsContact C-N 3.31Å; F120-E122 PolarHBondContact O-N 2.85Å
123L97.3Very high97.8Very high22 Ų2234.2 Ų34.212%0.11519%0.191CC..Hα-helixtrans-64.2-41.8179.8-73.8169.2000112.6V41 T46 E47 A50 R54 C119 F120V41-L123 HydrophobicContact CB-CD1 4.38Å; V41-L123 HydrophobicContact CG1-CD1 4.2Å; T46-L123 HydrophobicContact CG2-CD1 4.18Å; E47-L123 HydrophobicContact CG-CD2 4.42Å; A50-L123 HydrophobicContact CB-CB 4.26Å; R54-L123 PolarHBondContact NH1-O 3.46Å; C119-L123 WeakPolarHBondContact O-CB 3.28Å; C119-L123 WeakPolarHBondContact O-CG 3.46Å; C119-L123 PolarHBondContact O-N 3Å; F120-L123 PolarHBondContact O-N 2.93Å
124M97.3Very high97.7Very high12 Ų1234.6 Ų34.66%0.05919%0.192CC..Hα-helixtrans-97.8-15.1-171.7-67.4-59.3-65.100114.1L39 A50 A53 T60 F120 R126L39-M124 HydrophobicContact CD2-CG 4.31Å; L39-M124 HydrophobicContact CD2-SD 4.35Å; A50-M124 HydrophobicContact CB-SD 3.75Å; A53-M124 HydrophobicContact CB-CE 3.78Å; A53-M124 HydrophobicContact CB-SD 4.4Å; T60-M124 HydrophobicContact CG2-CE 4.11Å; F120-M124 HydrophobicContact CD1-CB 4.22Å; F120-M124 HydrophobicContact CD1-CG 4.18Å; F120-M124 HydrophobicContact CD2-CG 4.35Å; F120-M124 HydrophobicContact CE1-CB 3.79Å; F120-M124 HydrophobicContact CE1-CG 3.71Å; F120-M124 HydrophobicContact CE2-CG 3.93Å; F120-M124 HydrophobicContact CG-CG 4.46Å; F120-M124 HydrophobicContact CZ-CB 4.16Å; F120-M124 HydrophobicContact CZ-CG 3.6Å; F120-M124 WeakPolarHBondContact O-CB 3.4Å; F120-M124 PolarHBondContact O-N 3.07Å; M124-R126 HydrophobicContact CB-CG 4.23Å; M124-R126 PolarHBondContact O-N 3.07Å
125G96.5Very high97.6Very high69 Ų6933.7 Ų33.771%0.71119%0.188SC*.SBendtrans69.29.6-174.200000114.4R121R121-G125 VanDerWaalsContact O-CA 3.24Å; R121-G125 WeakPolarHBondContact O-CA 3.24Å; R121-G125 PolarHBondContact O-N 2.92Å
126R95.1Very high97.6Very high97 Ų9733.2 Ų33.237%0.36618%0.182SC..SBendtrans-153.6163.4-178.261.2176177.5140.6-3.2111I58 R121 M124I58-R126 PolarHBondContact O-NH2 2.87Å; R121-R126 WeakPolarHBondContact CA-O 3.34Å; M124-R126 HydrophobicContact CB-CG 4.23Å; M124-R126 PolarHBondContact O-N 3.07Å
127A95.7Very high97.6Very high53 Ų5333.2 Ų33.244%0.43818%0.182SC..  trans-67.4152.917100000111.1
128P97.1Very high97.6Very high11 Ų1133 Ų337%0.07118%0.181CC..  trans-67.8146.8176.629.4-34.8000111.1L62 L117 F120 H130 V131 V156L62-P128 HydrophobicContact CB-CB 4.1Å; L62-P128 HydrophobicContact CB-CG 4.28Å; L117-P128 HydrophobicContact CD2-CG 4.08Å; F120-P128 HydrophobicContact CD1-CB 3.85Å; F120-P128 HydrophobicContact CD1-CG 4.15Å; F120-P128 HydrophobicContact CD2-CB 4.46Å; F120-P128 HydrophobicContact CE1-CB 3.51Å; F120-P128 HydrophobicContact CE1-CG 4.25Å; F120-P128 VanDerWaalsContact CE1-N 3.32Å; F120-P128 HydrophobicContact CE2-CB 4.14Å; F120-P128 HydrophobicContact CG-CB 4.33Å; F120-P128 HydrophobicContact CZ-CB 3.65Å; P128-H130 WeakPolarHBondContact CB-O 3.23Å; P128-H130 PolarHBondContact O-N 2.94Å; P128-V131 HydrophobicContact CB-CG2 4.46Å; P128-V131 HydrophobicContact CG-CG2 3.87Å; P128-V156 HydrophobicContact CG-CG2 3.71Å
129T95.7Very high97.6Very high17 Ų1731.7 Ų31.710%0.10417%0.172CC..SBendtrans-67.3-29.817757.90000112.1T60 D297T60-T129 PolarHBondContact O-N 3.1Å; T60-T129 PolarHBondContact O-OG1 3.11Å; T129-D297 WeakPolarHBondContact CB-OD1 3.35Å; T129-D297 WeakPolarHBondContact CG2-OD1 3.26Å
130H97.6Very high97.6Very high2 Ų230.6 Ų30.61%0.00916%0.164CC..  trans-156.7164.3176.963.2-62.3000109S36 S38 G61 L62 P128 F158 L296S36-H130 PolarHBondContact OG-CE1 3Å; S38-H130 PolarHBondContact OG-NE2 3.38Å; S38-H130 VanDerWaalsContact OG-NE2 3.14Å; G61-H130 CarbonylContact C-O 3.49Å; G61-H130 WeakPolarHBondContact CA-CE1 3.42Å; G61-H130 WeakPolarHBondContact CA-ND1 3.31Å; G61-H130 WeakPolarHBondContact CA-O 3.37Å; G61-H130 PolarHBondContact N-CE1 3.02Å; L62-H130 PolarHBondContact N-O 3.43Å; P128-H130 WeakPolarHBondContact CB-O 3.23Å; P128-H130 PolarHBondContact O-N 2.94Å; H130-F158 VanDerWaalsContact CA-O 3.29Å; H130-F158 WeakPolarHBondContact CA-O 3.38Å; H130-F158 HydrophobicContact CB-CB 3.86Å; H130-L296 HydrophobicContact CB-CD1 3.98Å
131V98.6Very high97.6Very high1 Ų134.3 Ų34.31%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-125.9130.3167.2-176.40000108.1L62 A64 L117 P128 F147 L151 V156 F158 T159L62-V131 HydrophobicContact CB-CB 4.49Å; L62-V131 HydrophobicContact CB-CG1 4.15Å; L62-V131 HydrophobicContact CB-CG2 4.01Å; L62-V131 HydrophobicContact CD2-CG1 4.12Å; L62-V131 HydrophobicContact CD2-CG2 4.37Å; L62-V131 HydrophobicContact CG-CG1 4.12Å; L62-V131 WeakPolarHBondContact O-CA 3.45Å; L62-V131 WeakPolarHBondContact O-CG1 3.47Å; A64-V131 HydrophobicContact CB-CG1 3.83Å; L117-V131 HydrophobicContact CD2-CG2 3.9Å; P128-V131 HydrophobicContact CB-CG2 4.46Å; P128-V131 HydrophobicContact CG-CG2 3.87Å; V131-F147 HydrophobicContact CB-CE2 4.32Å; V131-F147 HydrophobicContact CB-CZ 3.88Å; V131-F147 HydrophobicContact CG1-CE2 3.51Å; V131-F147 HydrophobicContact CG1-CZ 3.55Å; V131-L151 HydrophobicContact CB-CD1 4.01Å; V131-L151 HydrophobicContact CB-CD2 4.04Å; V131-L151 HydrophobicContact CB-CG 4.18Å; V131-L151 HydrophobicContact CG1-CD1 4.13Å; V131-L151 HydrophobicContact CG2-CD1 4.03Å; V131-L151 HydrophobicContact CG2-CD2 4.35Å; V131-L151 HydrophobicContact CG2-CG 4.04Å; V131-V156 HydrophobicContact CG2-CB 4.46Å; V131-V156 HydrophobicContact CG2-CG1 3.79Å; V131-V156 HydrophobicContact CG2-CG2 4.4Å; V131-F158 PolarHBondContact N-O 2.8Å; V131-T159 WeakPolarHBondContact O-CA 3.33Å; V131-T159 WeakPolarHBondContact O-CB 3.23Å; V131-T159 PolarHBondContact O-OG1 2.78Å; V131-T159 VanDerWaalsContact O-OG1 3.11Å
132D98.6Very high97.6Very high0 Ų029.3 Ų29.30%018%0.179CC..EExtended strand (participates in β ladder)trans-119-179.4167.659.711.8000109.4S38 L62 H63 A64 R160S38-D132 WeakPolarHBondContact CB-OD1 3.28Å; S38-D132 PolarHBondContact OG-OD1 2.67Å; S38-D132 PolarHBondContact OG-OD2 2.79Å; L62-D132 PolarHBondContact O-N 3.17Å; L62-D132 VanDerWaalsContact O-N 3.1Å; H63-D132 WeakPolarHBondContact CA-OD1 3.25Å; H63-D132 IonicContact CE1-OD1 3.59Å; H63-D132 IonicContact CG-OD1 3.52Å; H63-D132 IonicContact ND1-OD1 3.38Å; H63-D132 PolarHBondContact ND1-OD1 3.14Å; H63-D132 IonicContact ND1-OD2 3.3Å; A64-D132 VanDerWaalsContact CB-O 3.29Å; A64-D132 WeakPolarHBondContact CB-O 3.36Å; A64-D132 PolarHBondContact N-O 3.33Å; D132-R160 HydrophobicContact CB-CB 3.55Å; D132-R160 HydrophobicContact CB-CG 4.49Å; D132-R160 IonicContact OD2-CZ 3.28Å; D132-R160 VanDerWaalsContact OD2-CZ 3.23Å; D132-R160 IonicContact OD2-NE 3.14Å; D132-R160 IonicContact OD2-NH1 3.88Å; D132-R160 IonicContact OD2-NH2 2.68Å; D132-R160 PolarHBondContact OD2-NH2 2.79Å; D132-R160 VanDerWaalsContact OD2-NH2 3.17Å
133G98.3Very high97.6Very high0 Ų022 Ų220%015%0.145CC..EExtended strand (participates in β ladder)trans-116.4127.7-178.400000112A64 Q135 H136 H138A64-G133 CarbonylContact O-C 3.59Å; A64-G133 WeakPolarHBondContact O-CA 3.37Å; G133-Q135 PolarHBondContact O-N 2.63Å; G133-H136 WeakPolarHBondContact O-CA 3.41Å; G133-H136 PolarHBondContact O-N 2.88Å; G133-H138 WeakPolarHBondContact CA-ND1 3.44Å; G133-H138 PolarHBondContact N-ND1 2.88Å
134H98.1Very high97.7Very high12 Ų1221.4 Ų21.46%0.05614%0.142CC..G310 helixtrans-55129.1167.6-172.162.8000109.6D14 L40 H63 A64 N65 E68 H136 V137D14-H134 IonicContact OD1-CE1 3.49Å; D14-H134 PolarHBondContact OD1-CE1 3.23Å; D14-H134 IonicContact OD1-ND1 3.61Å; D14-H134 PolarHBondContact OD1-ND1 2.62Å; L40-H134 HydrophobicContact CD2-CB 4.24Å; H63-H134 AromaticContact CD2-CG 3.93Å; H63-H134 AromaticContact CD2-ND1 3.5Å; H63-H134 PolarHBondContact CD2-ND1 2.99Å; H63-H134 VanDerWaalsContact NE2-CA 3.31Å; H63-H134 WeakPolarHBondContact NE2-CA 3.34Å; H63-H134 AromaticContact NE2-CG 3.77Å; H63-H134 AromaticContact NE2-ND1 3.19Å; H63-H134 PolarHBondContact NE2-ND1 2.87Å; H63-H134 VanDerWaalsContact NE2-ND1 3.19Å; A64-H134 PolarHBondContact O-N 2.9Å; N65-H134 HydrophobicContact CB-CB 4.12Å; E68-H134 IonicContact OE2-CE1 2.7Å; E68-H134 IonicContact OE2-NE2 3.69Å; E68-H134 PolarHBondContact OE2-NE2 3.13Å; H134-H136 PolarHBondContact O-N 3Å; H134-V137 WeakPolarHBondContact O-CG2 3.44Å; H134-V137 PolarHBondContact O-N 3.34Å
135Q96.6Very high97.7Very high35 Ų3523.3 Ų23.316%0.16415%0.151CC..G310 helixtrans54.623.2-175.4-57.1163.6-6.300114.3S67 K92 R96 G133 V137S67-Q135 VanDerWaalsContact CB-OE1 3.24Å; S67-Q135 PolarHBondContact OG-OE1 3.46Å; K92-Q135 HydrophobicContact CD-CB 4.31Å; K92-Q135 HydrophobicContact CD-CG 4.15Å; K92-Q135 HydrophobicContact CG-CB 4.13Å; K92-Q135 HydrophobicContact CG-CG 4.23Å; R96-Q135 PolarHBondContact NH2-O 2.96Å; G133-Q135 PolarHBondContact O-N 2.63Å; Q135-V137 VanDerWaalsContact C-N 3.28Å; Q135-V137 PolarHBondContact O-N 3.04Å
136H98.4Very high97.8Very high12 Ų1220.5 Ų20.56%0.05612%0.12CC..G310 helixtrans58.232.6179.9-45.6-59.8000114.3R96 G133 H134 H138 V139 P162 V184 L209 M243R96-H136 PolarHBondContact NH2-O 3.33Å; G133-H136 WeakPolarHBondContact O-CA 3.41Å; G133-H136 PolarHBondContact O-N 2.88Å; H134-H136 PolarHBondContact O-N 3Å; H136-H138 PolarHBondContact O-N 2.82Å; H136-V139 HydrophobicContact CB-CG2 4.34Å; H136-V139 VanDerWaalsContact O-CG2 3.29Å; H136-V139 WeakPolarHBondContact O-CG2 3.35Å; H136-P162 HydrophobicContact CB-CG 4.48Å; H136-V184 HydrophobicContact CB-CG1 3.79Å; H136-V184 HydrophobicContact CB-CG2 4.16Å; H136-L209 WeakPolarHBondContact NE2-CD2 3.34Å; H136-M243 VanDerWaalsContact CE1-SD 3.56Å
137V98Very high98Very high1 Ų115.9 Ų15.91%0.00610%0.103CC..G310 helixtrans-67.9-23.2177.9-63.90000112.7L66 F95 H134 Q135 V139 L140 V143L66-V137 HydrophobicContact CB-CG2 4.01Å; L66-V137 HydrophobicContact CD1-CG2 4.16Å; L66-V137 HydrophobicContact CG-CG2 4.31Å; F95-V137 HydrophobicContact CD1-CB 4.17Å; F95-V137 HydrophobicContact CD1-CG1 3.91Å; F95-V137 HydrophobicContact CE1-CB 4.07Å; F95-V137 HydrophobicContact CE1-CG1 4.33Å; H134-V137 WeakPolarHBondContact O-CG2 3.44Å; H134-V137 PolarHBondContact O-N 3.34Å; Q135-V137 VanDerWaalsContact C-N 3.28Å; Q135-V137 PolarHBondContact O-N 3.04Å; V137-V139 PolarHBondContact O-N 3.45Å; V137-L140 HydrophobicContact CB-CD1 4.05Å; V137-L140 HydrophobicContact CG1-CD1 4.27Å; V137-L140 VanDerWaalsContact O-CB 3.27Å; V137-L140 WeakPolarHBondContact O-CB 3.32Å; V137-L140 WeakPolarHBondContact O-CG 3.15Å; V137-L140 PolarHBondContact O-N 3.41Å; V137-L140 VanDerWaalsContact O-N 3.14Å; V137-V143 WeakPolarHBondContact O-CG1 3.42Å
138H98.8Very high98.1Very high1 Ų113.4 Ų13.41%0.0058%0.082CC..G310 helixtrans-67.4-17.8-177.370.5-56.1000114.5G133 H136 C144 F147 R160G133-H138 WeakPolarHBondContact CA-ND1 3.44Å; G133-H138 PolarHBondContact N-ND1 2.88Å; H136-H138 PolarHBondContact O-N 2.82Å; H138-C144 WeakPolarHBondContact O-CA 3.38Å; H138-C144 WeakPolarHBondContact O-CB 3.44Å; H138-F147 HydrophobicContact CB-CD1 4.31Å; H138-F147 HydrophobicContact CB-CD2 3.71Å; H138-F147 HydrophobicContact CB-CE1 4.3Å; H138-F147 HydrophobicContact CB-CE2 3.68Å; H138-F147 HydrophobicContact CB-CG 4.03Å; H138-F147 HydrophobicContact CB-CZ 3.98Å; H138-F147 AromaticContact CD2-CZ 3.99Å; H138-R160 PolarHBondContact NE2-O 3.46Å
139V98.8Very high98.2Very high1 Ų115.3 Ų15.31%0.0069%0.09CC..G310 helixtrans-95.7-1.4176-66.20000113.8H136 V137 P162 D187 A188 A191 F195H136-V139 HydrophobicContact CB-CG2 4.34Å; H136-V139 VanDerWaalsContact O-CG2 3.29Å; H136-V139 WeakPolarHBondContact O-CG2 3.35Å; V137-V139 PolarHBondContact O-N 3.45Å; V139-P162 HydrophobicContact CG1-CG 4.15Å; V139-P162 HydrophobicContact CG2-CG 4.21Å; V139-D187 HydrophobicContact CB-CB 4.34Å; V139-D187 HydrophobicContact CG2-CB 3.92Å; V139-A188 HydrophobicContact CB-CB 4.42Å; V139-A188 HydrophobicContact CG1-CB 4.19Å; V139-A188 HydrophobicContact CG2-CB 4.49Å; V139-A191 HydrophobicContact CB-CB 4.06Å; V139-A191 HydrophobicContact CG1-CB 3.99Å; V139-F195 HydrophobicContact CG1-CE2 4.1Å; V139-F195 HydrophobicContact CG1-CZ 4.06Å
140L98.8Very high98.3Very high7 Ų714.5 Ų14.54%0.0379%0.085CC..SBendtrans-61.1150.5-179.4-76.5171.9000112.4F95 R96 V99 V137 G142 V143 C144F95-L140 HydrophobicContact CD1-CD1 3.89Å; F95-L140 HydrophobicContact CE1-CD1 3.86Å; R96-L140 HydrophobicContact CG-CD1 3.91Å; R96-L140 HydrophobicContact CG-CD2 4.14Å; V99-L140 HydrophobicContact CG1-CB 4.29Å; V99-L140 HydrophobicContact CG2-CD1 4.31Å; V137-L140 HydrophobicContact CB-CD1 4.05Å; V137-L140 HydrophobicContact CG1-CD1 4.27Å; V137-L140 VanDerWaalsContact O-CB 3.27Å; V137-L140 WeakPolarHBondContact O-CB 3.32Å; V137-L140 WeakPolarHBondContact O-CG 3.15Å; V137-L140 PolarHBondContact O-N 3.41Å; V137-L140 VanDerWaalsContact O-N 3.14Å; L140-G142 PolarHBondContact O-N 3.09Å; L140-V143 HydrophobicContact CB-CB 3.99Å; L140-V143 HydrophobicContact CB-CG2 4.03Å; L140-V143 PolarHBondContact O-N 2.85Å; L140-C144 PolarHBondContact O-N 2.81Å; L140-C144 PolarHBondContact O-SG 3.19Å; L140-C144 VanDerWaalsContact O-SG 3.42Å
141P98.1Very high98.4Very high78 Ų7814.5 Ų14.551%0.5069%0.085SC..THydrogen-bonded Turntrans-52.4135.1174.9-26.435.2000112.2V99 V143V99-P141 VanDerWaalsContact CG1-O 3.3Å; V99-P141 WeakPolarHBondContact CG1-O 3.42Å; P141-V143 PolarHBondContact O-N 3.13Å
142G97.6Very high98.3Very high32 Ų3219.3 Ų19.333%0.3311%0.107SC..THydrogen-bonded Turntrans75.8-48.6-175.900000113.6L140 C144 Q145 V146L140-G142 PolarHBondContact O-N 3.09Å; G142-C144 VanDerWaalsContact C-N 3.32Å; G142-C144 PolarHBondContact O-N 3.17Å; G142-Q145 PolarHBondContact O-N 2.64Å; G142-V146 PolarHBondContact O-N 3.02Å
143V98.7Very high98.2Very high0 Ų022.7 Ų22.70%014%0.135CC..Hα-helixtrans-59.4-42177.4178.60000111.3L66 F95 V99 L106 V109 V137 L140 P141 Q145 V146 F147L66-V143 HydrophobicContact CD1-CG1 3.9Å; F95-V143 HydrophobicContact CE1-CG2 4.22Å; F95-V143 HydrophobicContact CZ-CG2 4.1Å; V99-V143 HydrophobicContact CG2-CG2 4Å; L106-V143 HydrophobicContact CD2-CG2 4.39Å; V109-V143 HydrophobicContact CG1-CG1 4.17Å; V137-V143 WeakPolarHBondContact O-CG1 3.42Å; L140-V143 HydrophobicContact CB-CB 3.99Å; L140-V143 HydrophobicContact CB-CG2 4.03Å; L140-V143 PolarHBondContact O-N 2.85Å; P141-V143 PolarHBondContact O-N 3.13Å; V143-Q145 VanDerWaalsContact C-N 3.25Å; V143-Q145 PolarHBondContact O-N 2.98Å; V143-V146 PolarHBondContact O-N 2.87Å; V143-F147 WeakPolarHBondContact O-CB 3.32Å; V143-F147 PolarHBondContact O-N 3.36Å
144C98.7Very high98.1Very high8 Ų826.2 Ų26.25%0.05415%0.149CC..Hα-helixtrans-61.5-31.2-179.7620000113.9H138 L140 G142 A148 A191 F195H138-C144 WeakPolarHBondContact O-CA 3.38Å; H138-C144 WeakPolarHBondContact O-CB 3.44Å; L140-C144 PolarHBondContact O-N 2.81Å; L140-C144 PolarHBondContact O-SG 3.19Å; L140-C144 VanDerWaalsContact O-SG 3.42Å; G142-C144 VanDerWaalsContact C-N 3.32Å; G142-C144 PolarHBondContact O-N 3.17Å; C144-A148 WeakPolarHBondContact O-CB 3.45Å; C144-A148 PolarHBondContact O-N 2.79Å; C144-A148 VanDerWaalsContact O-N 3.09Å; C144-A191 HydrophobicContact CB-CB 3.78Å; C144-F195 HydrophobicContact CB-CE1 3.86Å; C144-F195 HydrophobicContact CB-CZ 4.34Å; C144-F195 WeakPolarHBondContact O-CE1 3.44Å
145Q98.6Very high97.9Very high52 Ų5228.3 Ų28.324%0.24317%0.174CC..Hα-helixtrans-69.9-51.5175.3-179.463.332.900110.5G142 V143 F147 A148 E149 H198G142-Q145 PolarHBondContact O-N 2.64Å; V143-Q145 VanDerWaalsContact C-N 3.25Å; V143-Q145 PolarHBondContact O-N 2.98Å; Q145-F147 VanDerWaalsContact C-N 3.31Å; Q145-F147 PolarHBondContact O-N 3.23Å; Q145-A148 PolarHBondContact O-N 3Å; Q145-E149 PolarHBondContact NE2-OE1 3.37Å; Q145-E149 WeakPolarHBondContact O-CG 3.49Å; Q145-E149 PolarHBondContact O-N 3.21Å; Q145-H198 PolarHBondContact NE2-NE2 3.33Å
146V98.5Very high97.9Very high10 Ų1027 Ų276%0.06117%0.169CC..Hα-helixtrans-60.7-43.1178.7176.10000111.6L106 V109 R110 L113 G142 V143 A148 E149 A150L106-V146 HydrophobicContact CB-CG2 3.91Å; L106-V146 HydrophobicContact CD1-CG2 4.39Å; L106-V146 HydrophobicContact CD2-CG2 4.23Å; L106-V146 HydrophobicContact CG-CG2 4.41Å; V109-V146 HydrophobicContact CB-CG1 4.45Å; V109-V146 HydrophobicContact CG1-CG1 4.2Å; R110-V146 VanDerWaalsContact CA-CG1 3.44Å; R110-V146 HydrophobicContact CB-CG1 3.45Å; R110-V146 VanDerWaalsContact CB-CG1 3.45Å; R110-V146 HydrophobicContact CG-CG1 4.2Å; L113-V146 HydrophobicContact CD1-CG1 4.32Å; G142-V146 PolarHBondContact O-N 3.02Å; V143-V146 PolarHBondContact O-N 2.87Å; V146-A148 VanDerWaalsContact C-N 3.34Å; V146-A148 PolarHBondContact O-N 2.76Å; V146-E149 PolarHBondContact O-N 2.88Å; V146-A150 WeakPolarHBondContact O-CB 3.3Å; V146-A150 PolarHBondContact O-N 3.35Å
147F98.8Very high97.6Very high1 Ų132 Ų320%0.00419%0.187CC..Hα-helixtrans-56.8-47.9175.2179.3-90.7000111.3A64 L113 V131 H138 V143 Q145 E149 A150 L151 T159 F195 L200A64-F147 HydrophobicContact CB-CE2 4.01Å; L113-F147 HydrophobicContact CD1-CB 4.11Å; L113-F147 HydrophobicContact CD1-CD2 4.13Å; L113-F147 HydrophobicContact CD2-CD2 4.15Å; V131-F147 HydrophobicContact CB-CE2 4.32Å; V131-F147 HydrophobicContact CB-CZ 3.88Å; V131-F147 HydrophobicContact CG1-CE2 3.51Å; V131-F147 HydrophobicContact CG1-CZ 3.55Å; H138-F147 HydrophobicContact CB-CD1 4.31Å; H138-F147 HydrophobicContact CB-CD2 3.71Å; H138-F147 HydrophobicContact CB-CE1 4.3Å; H138-F147 HydrophobicContact CB-CE2 3.68Å; H138-F147 HydrophobicContact CB-CG 4.03Å; H138-F147 HydrophobicContact CB-CZ 3.98Å; H138-F147 AromaticContact CD2-CZ 3.99Å; V143-F147 WeakPolarHBondContact O-CB 3.32Å; V143-F147 PolarHBondContact O-N 3.36Å; Q145-F147 VanDerWaalsContact C-N 3.31Å; Q145-F147 PolarHBondContact O-N 3.23Å; F147-E149 PolarHBondContact O-N 3.44Å; F147-A150 PolarHBondContact O-N 3.33Å; F147-L151 HydrophobicContact CD1-CD1 4.07Å; F147-L151 HydrophobicContact CD1-CD2 4.17Å; F147-L151 HydrophobicContact CD2-CD1 4.05Å; F147-L151 HydrophobicContact CE1-CD1 3.8Å; F147-L151 HydrophobicContact CE1-CD2 3.45Å; F147-L151 VanDerWaalsContact CE1-CD2 3.45Å; F147-L151 HydrophobicContact CE1-CG 4.26Å; F147-L151 HydrophobicContact CE2-CD1 3.79Å; F147-L151 HydrophobicContact CG-CD1 4.19Å; F147-L151 HydrophobicContact CZ-CD1 3.66Å; F147-L151 HydrophobicContact CZ-CD2 3.78Å; F147-L151 HydrophobicContact CZ-CG 4.38Å; F147-L151 VanDerWaalsContact O-CD1 3.26Å; F147-L151 WeakPolarHBondContact O-CD1 3.42Å; F147-L151 PolarHBondContact O-N 3.1Å; F147-T159 WeakPolarHBondContact CE1-OG1 3.35Å; F147-F195 AromaticContact CD1-CE1 3.81Å; F147-F195 HydrophobicContact CD1-CE1 3.81Å; F147-F195 HydrophobicContact CD1-CZ 4.12Å; F147-F195 HydrophobicContact CE1-CE1 4.4Å; F147-F195 HydrophobicContact CE1-CZ 4.35Å; F147-L200 HydrophobicContact CE1-CD1 4.5Å
148A98.7Very high97.6Very high0 Ų032.6 Ų32.60%019%0.19CC..Hα-helixtrans-63.6-41-179.900000113.1C144 Q145 V146 Q152 F195 H198 L200C144-A148 WeakPolarHBondContact O-CB 3.45Å; C144-A148 PolarHBondContact O-N 2.79Å; C144-A148 VanDerWaalsContact O-N 3.09Å; Q145-A148 PolarHBondContact O-N 3Å; V146-A148 VanDerWaalsContact C-N 3.34Å; V146-A148 PolarHBondContact O-N 2.76Å; A148-Q152 WeakPolarHBondContact O-CB 3.47Å; A148-Q152 PolarHBondContact O-N 2.94Å; A148-F195 HydrophobicContact CB-CD1 3.97Å; A148-H198 HydrophobicContact CB-CB 3.88Å; A148-L200 HydrophobicContact CB-CD1 3.92Å
149E98.5Very high97.5Very high52 Ų5232.9 Ų32.924%0.24319%0.191CC..Hα-helixtrans-65.1-41.5176.8-66.9165.3177.900112.2R110 Q145 V146 F147 Q152 A153 H198R110-E149 IonicContact CZ-OE2 3.98Å; R110-E149 IonicContact NE-OE2 2.93Å; R110-E149 IonicContact NH2-OE2 3.15Å; R110-E149 PolarHBondContact NH2-OE2 2.88Å; Q145-E149 PolarHBondContact NE2-OE1 3.37Å; Q145-E149 WeakPolarHBondContact O-CG 3.49Å; Q145-E149 PolarHBondContact O-N 3.21Å; V146-E149 PolarHBondContact O-N 2.88Å; F147-E149 PolarHBondContact O-N 3.44Å; E149-Q152 PolarHBondContact O-N 3.37Å; E149-A153 WeakPolarHBondContact O-CB 3.22Å; E149-A153 PolarHBondContact O-N 2.94Å; E149-H198 WeakPolarHBondContact CG-CE1 3.44Å
150A98.4Very high97.5Very high0 Ų032.9 Ų32.90%019%0.191CC..Hα-helixtrans-64.5-46.6177.500000111.4L113 E114 L117 V146 F147 Q152 A153 Y154L113-A150 HydrophobicContact CB-CB 4.32Å; E114-A150 HydrophobicContact CG-CB 4.25Å; L117-A150 HydrophobicContact CD1-CB 4.27Å; V146-A150 WeakPolarHBondContact O-CB 3.3Å; V146-A150 PolarHBondContact O-N 3.35Å; F147-A150 PolarHBondContact O-N 3.33Å; A150-Q152 VanDerWaalsContact C-N 3.34Å; A150-Q152 PolarHBondContact O-N 3.09Å; A150-A153 PolarHBondContact O-N 3.17Å; A150-Y154 WeakPolarHBondContact O-CD2 3.16Å; A150-Y154 PolarHBondContact O-N 3.14Å; A150-Y154 VanDerWaalsContact O-N 3.07Å
151L98.3Very high97.5Very high1 Ų132.9 Ų32.91%0.00519%0.191CC..Hα-helixtrans-59.4-44.8176.3-92.963.1000111.7V131 F147 A153 Y154 G155 V156 L200V131-L151 HydrophobicContact CB-CD1 4.01Å; V131-L151 HydrophobicContact CB-CD2 4.04Å; V131-L151 HydrophobicContact CB-CG 4.18Å; V131-L151 HydrophobicContact CG1-CD1 4.13Å; V131-L151 HydrophobicContact CG2-CD1 4.03Å; V131-L151 HydrophobicContact CG2-CD2 4.35Å; V131-L151 HydrophobicContact CG2-CG 4.04Å; F147-L151 HydrophobicContact CD1-CD1 4.07Å; F147-L151 HydrophobicContact CD1-CD2 4.17Å; F147-L151 HydrophobicContact CD2-CD1 4.05Å; F147-L151 HydrophobicContact CE1-CD1 3.8Å; F147-L151 HydrophobicContact CE1-CD2 3.45Å; F147-L151 VanDerWaalsContact CE1-CD2 3.45Å; F147-L151 HydrophobicContact CE1-CG 4.26Å; F147-L151 HydrophobicContact CE2-CD1 3.79Å; F147-L151 HydrophobicContact CG-CD1 4.19Å; F147-L151 HydrophobicContact CZ-CD1 3.66Å; F147-L151 HydrophobicContact CZ-CD2 3.78Å; F147-L151 HydrophobicContact CZ-CG 4.38Å; F147-L151 VanDerWaalsContact O-CD1 3.26Å; F147-L151 WeakPolarHBondContact O-CD1 3.42Å; F147-L151 PolarHBondContact O-N 3.1Å; L151-A153 PolarHBondContact O-N 3.42Å; L151-Y154 CarbonylContact O-C 3.41Å; L151-Y154 PolarHBondContact O-N 3.47Å; L151-G155 PolarHBondContact O-N 3.24Å; L151-V156 HydrophobicContact CB-CB 4.21Å; L151-V156 HydrophobicContact CD2-CG1 4.28Å; L151-V156 HydrophobicContact CG-CB 4.01Å; L151-V156 HydrophobicContact CG-CG1 4.16Å; L151-V156 PolarHBondContact O-N 2.88Å; L151-L200 HydrophobicContact CB-CD1 4.36Å; L151-L200 HydrophobicContact CB-CD2 3.81Å; L151-L200 HydrophobicContact CD2-CD1 3.7Å; L151-L200 HydrophobicContact CD2-CD2 3.94Å; L151-L200 HydrophobicContact CD2-CG 4.5Å
152Q96.9Very high97.5Very high103 Ų10329.1 Ų29.148%0.48117%0.167SC..Hα-helixtrans-59-45.7176.8-178.1-17951.800111.6A148 E149 A150 Y154 G155 H198A148-Q152 WeakPolarHBondContact O-CB 3.47Å; A148-Q152 PolarHBondContact O-N 2.94Å; E149-Q152 PolarHBondContact O-N 3.37Å; A150-Q152 VanDerWaalsContact C-N 3.34Å; A150-Q152 PolarHBondContact O-N 3.09Å; Q152-Y154 VanDerWaalsContact C-N 3.26Å; Q152-Y154 PolarHBondContact O-N 3.15Å; Q152-G155 PolarHBondContact O-N 3.31Å; Q152-G155 VanDerWaalsContact O-N 3.12Å; Q152-H198 HydrophobicContact CB-CB 4.29Å; Q152-H198 PolarHBondContact NE2-O 3.35Å; Q152-H198 PolarHBondContact OE1-ND1 3.28Å
153A96.7Very high97.5Very high71 Ų7129.6 Ų29.659%0.58716%0.161SC*.Hα-helixtrans-63.1-32.1179.100000112.8E149 A150 L151E149-A153 WeakPolarHBondContact O-CB 3.22Å; E149-A153 PolarHBondContact O-N 2.94Å; A150-A153 PolarHBondContact O-N 3.17Å; L151-A153 PolarHBondContact O-N 3.42Å
154Y96.2Very high97.4Very high73 Ų7329.6 Ų29.629%0.28616%0.162SC..THydrogen-bonded Turntrans-90.93177.4-80.6-107.3000113.6E114 L117 S118 A150 L151 Q152 V156E114-Y154 HydrophobicContact CB-CE2 3.94Å; E114-Y154 HydrophobicContact CG-CE2 3.76Å; E114-Y154 PolarHBondContact O-OH 3.35Å; L117-Y154 HydrophobicContact CB-CD1 3.63Å; L117-Y154 HydrophobicContact CB-CD2 4.47Å; L117-Y154 HydrophobicContact CB-CE1 3.71Å; L117-Y154 HydrophobicContact CB-CG 4.03Å; L117-Y154 HydrophobicContact CD1-CD1 4.3Å; L117-Y154 HydrophobicContact CD1-CD2 3.81Å; L117-Y154 HydrophobicContact CD1-CE2 4.31Å; L117-Y154 HydrophobicContact CD1-CG 3.8Å; L117-Y154 HydrophobicContact CG-CD1 4.45Å; L117-Y154 HydrophobicContact CG-CG 4.4Å; S118-Y154 PolarHBondContact OG-OH 3.43Å; A150-Y154 WeakPolarHBondContact O-CD2 3.16Å; A150-Y154 PolarHBondContact O-N 3.14Å; A150-Y154 VanDerWaalsContact O-N 3.07Å; L151-Y154 CarbonylContact O-C 3.41Å; L151-Y154 PolarHBondContact O-N 3.47Å; Q152-Y154 VanDerWaalsContact C-N 3.26Å; Q152-Y154 PolarHBondContact O-N 3.15Å; Y154-V156 VanDerWaalsContact C-N 3.27Å; Y154-V156 PolarHBondContact O-N 3.08Å
155G94.5Very high97.1Very high57 Ų5735.1 Ų35.159%0.58818%0.181SC*.THydrogen-bonded Turntrans71.816.2178.800000114.6L151 Q152L151-G155 PolarHBondContact O-N 3.24Å; Q152-G155 PolarHBondContact O-N 3.31Å; Q152-G155 VanDerWaalsContact O-N 3.12Å
156V95.3Very high96.9Very high7 Ų734.4 Ų34.44%0.04219%0.188CC..  trans-84.3125.2176.4-1770000109.1L117 P128 V131 L151 Y154 L200L117-V156 HydrophobicContact CD2-CG2 4.24Å; P128-V156 HydrophobicContact CG-CG2 3.71Å; V131-V156 HydrophobicContact CG2-CB 4.46Å; V131-V156 HydrophobicContact CG2-CG1 3.79Å; V131-V156 HydrophobicContact CG2-CG2 4.4Å; L151-V156 HydrophobicContact CB-CB 4.21Å; L151-V156 HydrophobicContact CD2-CG1 4.28Å; L151-V156 HydrophobicContact CG-CB 4.01Å; L151-V156 HydrophobicContact CG-CG1 4.16Å; L151-V156 PolarHBondContact O-N 2.88Å; Y154-V156 VanDerWaalsContact C-N 3.27Å; Y154-V156 PolarHBondContact O-N 3.08Å; V156-L200 WeakPolarHBondContact O-CD2 3.28Å
157R93.4Very high96.8Very high117 Ų11733.9 Ų33.944%0.44219%0.185SC..  trans-108.4-10.3-171.6-61-170.7-67-163.12114.7R201 D300R157-R201 WeakPolarHBondContact O-CB 3.49Å; R157-R201 PolarHBondContact O-N 3.41Å; R157-D300 IonicContact CZ-OD2 3.73Å; R157-D300 IonicContact NE-OD2 3.23Å; R157-D300 IonicContact NH2-OD1 3.66Å; R157-D300 IonicContact NH2-OD2 3.54Å; R157-D300 PolarHBondContact NH2-OD2 2.89Å
158F96.6Very high96.6Very high14 Ų1435.7 Ų35.76%0.06120%0.204CC..BIsolated β-bridgetrans-117134-177.5-81.4-80.5000111.5H130 V131 R201 L296 L299 D300H130-F158 VanDerWaalsContact CA-O 3.29Å; H130-F158 WeakPolarHBondContact CA-O 3.38Å; H130-F158 HydrophobicContact CB-CB 3.86Å; V131-F158 PolarHBondContact N-O 2.8Å; F158-R201 CarbonylContact C-O 3.6Å; F158-R201 WeakPolarHBondContact CA-O 3.48Å; F158-R201 HydrophobicContact CD1-CB 3.78Å; F158-R201 HydrophobicContact CE1-CB 3.62Å; F158-R201 HydrophobicContact CG-CB 4.46Å; F158-R201 HydrophobicContact CZ-CB 4.18Å; F158-L296 HydrophobicContact CB-CD2 4.33Å; F158-L296 HydrophobicContact CD1-CD2 4Å; F158-L296 HydrophobicContact CG-CD2 4.19Å; F158-L299 HydrophobicContact CZ-CB 4.47Å; F158-D300 HydrophobicContact CE2-CB 3.9Å; F158-D300 HydrophobicContact CZ-CB 4.45Å
159T98.1Very high96.4Very high6 Ų638.6 Ų38.64%0.03723%0.234CC..BIsolated β-bridgetrans-133.8154.6171.1-178.20000110.8V131 F147 F195 L200 R201 W202V131-T159 WeakPolarHBondContact O-CA 3.33Å; V131-T159 WeakPolarHBondContact O-CB 3.23Å; V131-T159 PolarHBondContact O-OG1 2.78Å; V131-T159 VanDerWaalsContact O-OG1 3.11Å; F147-T159 WeakPolarHBondContact CE1-OG1 3.35Å; T159-F195 HydrophobicContact CG2-CD2 3.67Å; T159-F195 HydrophobicContact CG2-CE2 3.82Å; T159-F195 HydrophobicContact CG2-CG 4.21Å; T159-F195 HydrophobicContact CG2-CZ 4.46Å; T159-L200 HydrophobicContact CG2-CB 4.04Å; T159-L200 HydrophobicContact CG2-CD1 3.84Å; T159-R201 PolarHBondContact N-O 3.42Å; T159-W202 HydrophobicContact CG2-CE3 4.39Å; T159-W202 WeakPolarHBondContact O-CA 3.33Å; T159-W202 WeakPolarHBondContact O-CB 3.46Å
160R98.4Very high96.3Very high2 Ų236.2 Ų36.21%0.00822%0.223CC..  trans-69.6136.9165173.7175.5-64.5171.20.6110.3D13 D132 H138 F206 E241 M243D13-R160 IonicContact OD1-CZ 3.13Å; D13-R160 IonicContact OD1-NH1 2.66Å; D13-R160 PolarHBondContact OD1-NH1 2.89Å; D13-R160 IonicContact OD1-NH2 3.4Å; D13-R160 PolarHBondContact OD1-NH2 3.35Å; D13-R160 IonicContact OD2-CZ 3.35Å; D13-R160 IonicContact OD2-NH1 3.4Å; D13-R160 PolarHBondContact OD2-NH1 3.48Å; D13-R160 IonicContact OD2-NH2 3.56Å; D132-R160 HydrophobicContact CB-CB 3.55Å; D132-R160 HydrophobicContact CB-CG 4.49Å; D132-R160 IonicContact OD2-CZ 3.28Å; D132-R160 VanDerWaalsContact OD2-CZ 3.23Å; D132-R160 IonicContact OD2-NE 3.14Å; D132-R160 IonicContact OD2-NH1 3.88Å; D132-R160 IonicContact OD2-NH2 2.68Å; D132-R160 PolarHBondContact OD2-NH2 2.79Å; D132-R160 VanDerWaalsContact OD2-NH2 3.17Å; H138-R160 PolarHBondContact NE2-O 3.46Å; R160-F206 VanDerWaalsContact CD-CE2 3.41Å; R160-F206 HydrophobicContact CG-CD2 3.98Å; R160-F206 HydrophobicContact CG-CE2 3.82Å; R160-E241 WeakPolarHBondContact CB-OE2 3.5Å; R160-E241 VanDerWaalsContact CG-OE2 3.24Å; R160-E241 WeakPolarHBondContact CG-OE2 3.44Å; R160-E241 IonicContact CZ-OE1 3.24Å; R160-E241 VanDerWaalsContact CZ-OE1 3.3Å; R160-E241 VanDerWaalsContact NE-CD 3.3Å; R160-E241 IonicContact NE-OE1 2.62Å; R160-E241 PolarHBondContact NE-OE1 3.17Å; R160-E241 IonicContact NE-OE2 3.26Å; R160-E241 PolarHBondContact NE-OE2 3.47Å; R160-E241 VanDerWaalsContact NE-OE2 3.13Å; R160-E241 IonicContact NH2-OE1 3.04Å; R160-E241 PolarHBondContact NH2-OE1 2.91Å; R160-M243 VanDerWaalsContact NH1-CG 3.31Å; R160-M243 PolarHBondContact NH1-SD 3.13Å
161L98.4Very high96.1Very high6 Ų642.1 Ų42.13%0.03126%0.259CS..  trans-119.2101.9165.4-171.369.8000109L163 A188 A191 V192 F195 W202 F206L161-L163 HydrophobicContact CD2-CD1 3.55Å; L161-L163 HydrophobicContact CD2-CG 4.11Å; L161-L163 HydrophobicContact CG-CD1 4.03Å; L161-L163 HydrophobicContact CG-CG 4.01Å; L161-L163 PolarHBondContact O-N 2.95Å; L161-A188 HydrophobicContact CD1-CB 4.03Å; L161-A188 WeakPolarHBondContact CD1-O 3.49Å; L161-A188 HydrophobicContact CG-CB 4.46Å; L161-A191 HydrophobicContact CD1-CB 4.47Å; L161-V192 HydrophobicContact CD1-CG2 4.42Å; L161-V192 HydrophobicContact CD2-CG2 3.75Å; L161-F195 HydrophobicContact CD1-CD2 3.92Å; L161-F195 HydrophobicContact CD1-CE2 3.89Å; L161-W202 HydrophobicContact CB-CB 3.78Å; L161-W202 HydrophobicContact CB-CD2 4.18Å; L161-W202 HydrophobicContact CB-CG 3.62Å; L161-W202 HydrophobicContact CD2-CD2 3.95Å; L161-W202 HydrophobicContact CD2-CG 3.95Å; L161-W202 HydrophobicContact CD2-CZ2 4.11Å; L161-W202 VanDerWaalsContact CD2-NE1 3.29Å; L161-W202 HydrophobicContact CG-CG 4.41Å; L161-F206 WeakPolarHBondContact O-CB 3.33Å
162P98.1Very high96Very high0 Ų045.1 Ų45.10%027%0.27CS..  trans-78.758.5-170.932.2-33.1000112.9H136 V139 V184 A188 F206H136-P162 HydrophobicContact CB-CG 4.48Å; V139-P162 HydrophobicContact CG1-CG 4.15Å; V139-P162 HydrophobicContact CG2-CG 4.21Å; P162-V184 HydrophobicContact CB-CG1 3.84Å; P162-V184 HydrophobicContact CG-CG1 3.6Å; P162-A188 HydrophobicContact CG-CB 3.9Å; P162-F206 HydrophobicContact CB-CD1 4.08Å; P162-F206 HydrophobicContact CB-CE1 4.01Å; P162-F206 HydrophobicContact CB-CG 4.43Å; P162-F206 HydrophobicContact CB-CZ 4.27Å
163L96.7Very high96Very high41 Ų4140.6 Ų40.622%0.21525%0.249CC..  trans-94.891.9173.1-72.5179.5000110.5L161 E185 A188 R189 V192L161-L163 HydrophobicContact CD2-CD1 3.55Å; L161-L163 HydrophobicContact CD2-CG 4.11Å; L161-L163 HydrophobicContact CG-CD1 4.03Å; L161-L163 HydrophobicContact CG-CG 4.01Å; L161-L163 PolarHBondContact O-N 2.95Å; L163-E185 HydrophobicContact CD2-CG 3.63Å; L163-E185 WeakPolarHBondContact CD2-O 3.25Å; L163-A188 HydrophobicContact CD2-CB 3.76Å; L163-A188 HydrophobicContact CG-CB 3.94Å; L163-R189 HydrophobicContact CD2-CB 4.08Å; L163-V192 HydrophobicContact CD1-CG2 4.4Å
164E96.8Very high95.9Very high1 Ų141.6 Ų41.61%0.00524%0.242CC..  trans-94.6109.9177.9-174.1167.716600112.6G166 V167 F206 G208 L209 S210 R227E164-G166 PolarHBondContact O-N 3.36Å; E164-V167 HydrophobicContact CB-CB 4.11Å; E164-V167 HydrophobicContact CG-CB 4.2Å; E164-V167 WeakPolarHBondContact O-CB 3.4Å; E164-V167 WeakPolarHBondContact O-CG1 3.29Å; E164-V167 PolarHBondContact O-N 2.92Å; E164-F206 WeakPolarHBondContact CA-O 3.49Å; E164-F206 HydrophobicContact CB-CD1 4.22Å; E164-G208 PolarHBondContact OE2-N 2.99Å; E164-L209 HydrophobicContact CB-CB 4.48Å; E164-L209 HydrophobicContact CB-CD1 4.24Å; E164-L209 WeakPolarHBondContact OE2-CA 3.3Å; E164-L209 WeakPolarHBondContact OE2-CB 3.41Å; E164-L209 PolarHBondContact OE2-N 2.9Å; E164-S210 WeakPolarHBondContact OE1-CB 3.32Å; E164-S210 PolarHBondContact OE1-OG 2.96Å; E164-S210 PolarHBondContact OE2-N 3.49Å; E164-R227 IonicContact OE1-NH2 3.37Å
165R93.9Very high95.9Very high123 Ų12341 Ų4146%0.46425%0.252SS..THydrogen-bonded Turntrans-61.5119.8-178.5-174172.1175.7-180-7.4112.3R227 E230R165-R227 WeakPolarHBondContact CD-O 3.26Å; R165-R227 PolarHBondContact NE-O 3.4Å; R165-R227 PolarHBondContact NH1-O 2.77Å; R165-R227 PolarHBondContact O-NE 3.49Å; R165-R227 VanDerWaalsContact O-NE 3.17Å; R165-E230 VanDerWaalsContact CZ-O 3.22Å; R165-E230 PolarHBondContact NH1-O 3.15Å; R165-E230 PolarHBondContact NH2-O 2.93Å
166G93.7Very high95.9Very high37 Ų3743.1 Ų43.138%0.38126%0.256SS..THydrogen-bonded Turntrans81.514175.400000114.3E164 G168 G169 C170E164-G166 PolarHBondContact O-N 3.36Å; G166-G168 VanDerWaalsContact C-N 3.27Å; G166-G168 PolarHBondContact O-N 3.17Å; G166-G169 PolarHBondContact O-N 3.42Å; G166-C170 PolarHBondContact O-SG 2.93Å
167V95.6Very high95.8Very high0 Ų044.7 Ų44.70%027%0.269CS..G310 helixtrans-57.9-38.3-179.867.90000112.9E164 G169 C170 L173 A181 E185 L209E164-V167 HydrophobicContact CB-CB 4.11Å; E164-V167 HydrophobicContact CG-CB 4.2Å; E164-V167 WeakPolarHBondContact O-CB 3.4Å; E164-V167 WeakPolarHBondContact O-CG1 3.29Å; E164-V167 PolarHBondContact O-N 2.92Å; V167-G169 PolarHBondContact O-N 2.75Å; V167-C170 WeakPolarHBondContact O-CB 3.44Å; V167-C170 PolarHBondContact O-N 2.8Å; V167-C170 VanDerWaalsContact O-N 3.1Å; V167-L173 HydrophobicContact CG2-CD1 4.02Å; V167-A181 HydrophobicContact CG1-CB 4.5Å; V167-A181 HydrophobicContact CG2-CB 3.57Å; V167-E185 WeakPolarHBondContact CG1-OE2 3.31Å; V167-L209 HydrophobicContact CG2-CB 3.9Å
168G95.1Very high96Very high39 Ų3943 Ų4340%0.40226%0.263SS..G310 helixtrans-64.7-17.6175.600000114.9G166 R178 C182G166-G168 VanDerWaalsContact C-N 3.27Å; G166-G168 PolarHBondContact O-N 3.17Å; G168-R178 WeakPolarHBondContact O-CD 3.44Å; G168-C182 VanDerWaalsContact CA-SG 3.57Å
169G94.6Very high96Very high61 Ų6145.3 Ų45.363%0.62929%0.285SS*.G310 helixtrans-94-1.4175.700000114.3G166 V167 T171G166-G169 PolarHBondContact O-N 3.42Å; V167-G169 PolarHBondContact O-N 2.75Å; G169-T171 PolarHBondContact O-N 3.47Å; G169-T171 VanDerWaalsContact O-N 3.13Å
170C95.8Very high96Very high2 Ų247.4 Ų47.41%0.01429%0.293CS..  trans-75.2104.3-176.8-66.80000110.7G166 V167 W172 L173G166-C170 PolarHBondContact O-SG 2.93Å; V167-C170 WeakPolarHBondContact O-CB 3.44Å; V167-C170 PolarHBondContact O-N 2.8Å; V167-C170 VanDerWaalsContact O-N 3.1Å; C170-W172 VanDerWaalsContact C-N 3.26Å; C170-W172 HydrophobicContact CB-CD2 4.17Å; C170-W172 HydrophobicContact CB-CE3 4.44Å; C170-W172 HydrophobicContact CB-CH2 3.97Å; C170-W172 HydrophobicContact CB-CZ2 3.66Å; C170-W172 HydrophobicContact CB-CZ3 4.34Å; C170-W172 PolarHBondContact O-N 3.08Å; C170-W172 WeakPolarHBondContact SG-CZ2 3.5Å; C170-L173 HydrophobicContact CB-CD1 3.98Å; C170-L173 HydrophobicContact CB-CG 4.08Å; C170-L173 PolarHBondContact O-N 3.29Å
171T95Very high96Very high123 Ų12347.4 Ų47.476%0.75529%0.293SS*.THydrogen-bonded Turntrans-70.1-18.4-174.454.50000114.2G169 L173G169-T171 PolarHBondContact O-N 3.47Å; G169-T171 VanDerWaalsContact O-N 3.13Å; T171-L173 VanDerWaalsContact C-N 3.34Å
172W96.3Very high95.9Very high64 Ų6449.3 Ų49.324%0.24231%0.307CS..THydrogen-bonded Turntrans-82.3-9.9177.659.882.4000113.9C170 S210 H215 R220C170-W172 VanDerWaalsContact C-N 3.26Å; C170-W172 HydrophobicContact CB-CD2 4.17Å; C170-W172 HydrophobicContact CB-CE3 4.44Å; C170-W172 HydrophobicContact CB-CH2 3.97Å; C170-W172 HydrophobicContact CB-CZ2 3.66Å; C170-W172 HydrophobicContact CB-CZ3 4.34Å; C170-W172 PolarHBondContact O-N 3.08Å; C170-W172 WeakPolarHBondContact SG-CZ2 3.5Å; W172-S210 PolarHBondContact NE1-O 2.85Å; W172-H215 AromaticContact CD1-CG 3.83Å; W172-H215 AromaticContact CD1-ND1 3.57Å; W172-H215 PolarHBondContact O-CE1 3.43Å; W172-R220 HydrophobicContact CZ2-CG 4.38Å
173L95.6Very high95.9Very high9 Ų950.4 Ų50.45%0.04732%0.316CS..SBendtrans-82.6131.1173.6-66.2179.9000109.9V167 C170 T171 R178V167-L173 HydrophobicContact CG2-CD1 4.02Å; C170-L173 HydrophobicContact CB-CD1 3.98Å; C170-L173 HydrophobicContact CB-CG 4.08Å; C170-L173 PolarHBondContact O-N 3.29Å; T171-L173 VanDerWaalsContact C-N 3.34Å; L173-R178 HydrophobicContact CB-CB 3.96Å; L173-R178 HydrophobicContact CD1-CB 4.44Å; L173-R178 PolarHBondContact O-NH1 3.45Å
174E95.2Very high96Very high91 Ų9148.5 Ų48.543%0.42531%0.306SS..  trans-63.9157.2169.3-6184.8-158.200111A177 R178 R214E174-A177 PolarHBondContact O-N 2.97Å; E174-A177 VanDerWaalsContact O-N 3.16Å; E174-R178 WeakPolarHBondContact O-CB 3.03Å; E174-R178 PolarHBondContact O-N 2.88Å; E174-R214 IonicContact OE1-CZ 2.69Å; E174-R214 IonicContact OE1-NH2 3.77Å; E174-R214 PolarHBondContact OE1-NH2 3.4Å; E174-R214 IonicContact OE2-NH2 3.79Å; E174-R214 PolarHBondContact OE2-NH2 2.93Å
175A95.7Very high96.1Very high62 Ų6250.2 Ų50.251%0.51231%0.314SS..Hα-helixtrans-53-43.8-176.600000114A179A175-A179 VanDerWaalsContact O-CB 3.31Å; A175-A179 WeakPolarHBondContact O-CB 3.42Å; A175-A179 PolarHBondContact O-N 2.85Å
176P95.1Very high96.3Very high101 Ų10152.5 Ų52.566%0.65632%0.323SS*.Hα-helixtrans-65.4-44.5177.4-21.934.7000113.2R178 A179 F180P176-R178 PolarHBondContact O-N 3.27Å; P176-A179 PolarHBondContact O-N 2.98Å; P176-F180 WeakPolarHBondContact O-CB 3.33Å; P176-F180 PolarHBondContact O-N 3.48Å
177A94.5Very high96.5Very high40 Ų4052 Ų5233%0.33131%0.311SS..Hα-helixtrans-64.2-41.7178.500000111.5E174 F180 A181E174-A177 PolarHBondContact O-N 2.97Å; E174-A177 VanDerWaalsContact O-N 3.16Å; A177-F180 PolarHBondContact O-N 3.49Å; A177-A181 WeakPolarHBondContact O-CB 3.29Å; A177-A181 PolarHBondContact O-N 2.89Å
178R97.1Very high96.6Very high82 Ų8252 Ų5231%0.30931%0.311SS..Hα-helixtrans-64.6-43.7175.3-175.5169.758.9-124.91112.1G168 L173 E174 P176 F180 A181 C182G168-R178 WeakPolarHBondContact O-CD 3.44Å; L173-R178 HydrophobicContact CB-CB 3.96Å; L173-R178 HydrophobicContact CD1-CB 4.44Å; L173-R178 PolarHBondContact O-NH1 3.45Å; E174-R178 WeakPolarHBondContact O-CB 3.03Å; E174-R178 PolarHBondContact O-N 2.88Å; P176-R178 PolarHBondContact O-N 3.27Å; R178-F180 VanDerWaalsContact C-N 3.35Å; R178-A181 PolarHBondContact O-N 2.88Å; R178-C182 PolarHBondContact O-N 3Å; R178-C182 PolarHBondContact O-SG 3.26Å
179A97.2Very high96.8Very high62 Ų6257.4 Ų57.451%0.51232%0.319SS..Hα-helixtrans-62.2-43.5176.900000111.5A175 P176 C182 A183A175-A179 VanDerWaalsContact O-CB 3.31Å; A175-A179 WeakPolarHBondContact O-CB 3.42Å; A175-A179 PolarHBondContact O-N 2.85Å; P176-A179 PolarHBondContact O-N 2.98Å; A179-C182 PolarHBondContact O-N 3.22Å; A179-A183 WeakPolarHBondContact O-CB 3.44Å; A179-A183 PolarHBondContact O-N 3.37Å
180F97.1Very high96.9Very high49 Ų4957.7 Ų57.722%0.21532%0.316CS..Hα-helixtrans-60.3-47.8174.4178.4-102.1000111.6P176 A177 R178 C182 A183 V184P176-F180 WeakPolarHBondContact O-CB 3.33Å; P176-F180 PolarHBondContact O-N 3.48Å; A177-F180 PolarHBondContact O-N 3.49Å; R178-F180 VanDerWaalsContact C-N 3.35Å; F180-C182 PolarHBondContact O-N 3.46Å; F180-A183 WeakPolarHBondContact O-CB 3.31Å; F180-A183 PolarHBondContact O-N 3.47Å; F180-A183 VanDerWaalsContact O-N 3.15Å; F180-V184 HydrophobicContact CD1-CG2 4.28Å; F180-V184 HydrophobicContact CE1-CG2 3.8Å; F180-V184 HydrophobicContact CE2-CG2 4.08Å; F180-V184 HydrophobicContact CZ-CG2 3.67Å; F180-V184 WeakPolarHBondContact O-CG2 3.45Å; F180-V184 PolarHBondContact O-N 3.45Å
181A97.8Very high97.1Very high2 Ų257.6 Ų57.62%0.01732%0.316CS..Hα-helixtrans-60.7-43.8178.500000112.8V167 A177 R178 A183 V184 E185 L209V167-A181 HydrophobicContact CG1-CB 4.5Å; V167-A181 HydrophobicContact CG2-CB 3.57Å; A177-A181 WeakPolarHBondContact O-CB 3.29Å; A177-A181 PolarHBondContact O-N 2.89Å; R178-A181 PolarHBondContact O-N 2.88Å; A181-A183 VanDerWaalsContact C-N 3.31Å; A181-A183 PolarHBondContact O-N 2.92Å; A181-V184 PolarHBondContact O-N 2.9Å; A181-E185 PolarHBondContact O-N 3.1Å; A181-L209 HydrophobicContact CB-CB 3.96Å; A181-L209 HydrophobicContact CB-CD1 4.15Å; A181-L209 HydrophobicContact CB-CG 4.46Å
182C97.9Very high97.3Very high46 Ų4654 Ų5431%0.31129%0.294SS..Hα-helixtrans-64.5-34.3175.1-68.30000112.6G168 R178 A179 F180 R186G168-C182 VanDerWaalsContact CA-SG 3.57Å; R178-C182 PolarHBondContact O-N 3Å; R178-C182 PolarHBondContact O-SG 3.26Å; A179-C182 PolarHBondContact O-N 3.22Å; F180-C182 PolarHBondContact O-N 3.46Å; C182-R186 WeakPolarHBondContact O-CB 3.36Å; C182-R186 PolarHBondContact O-N 3Å; C182-R186 VanDerWaalsContact O-N 3.13Å
183A98.1Very high97.3Very high24 Ų2452.3 Ų52.320%0.19830%0.295CS..Hα-helixtrans-65.9-47.7174.300000111.1A179 F180 A181 E185 R186 D187A179-A183 WeakPolarHBondContact O-CB 3.44Å; A179-A183 PolarHBondContact O-N 3.37Å; F180-A183 WeakPolarHBondContact O-CB 3.31Å; F180-A183 PolarHBondContact O-N 3.47Å; F180-A183 VanDerWaalsContact O-N 3.15Å; A181-A183 VanDerWaalsContact C-N 3.31Å; A181-A183 PolarHBondContact O-N 2.92Å; A183-E185 VanDerWaalsContact C-N 3.32Å; A183-E185 PolarHBondContact O-N 3.36Å; A183-R186 WeakPolarHBondContact O-CB 3.45Å; A183-R186 PolarHBondContact O-N 3.23Å; A183-R186 VanDerWaalsContact O-N 3.16Å; A183-D187 VanDerWaalsContact O-CG 3.32Å; A183-D187 PolarHBondContact O-N 3Å
184V98.4Very high97.5Very high0 Ų052.6 Ų52.60%030%0.298CS..Hα-helixtrans-58.5-43.2175.6172.40000111.5H136 P162 F180 A181 R186 D187 A188 L209H136-V184 HydrophobicContact CB-CG1 3.79Å; H136-V184 HydrophobicContact CB-CG2 4.16Å; P162-V184 HydrophobicContact CB-CG1 3.84Å; P162-V184 HydrophobicContact CG-CG1 3.6Å; F180-V184 HydrophobicContact CD1-CG2 4.28Å; F180-V184 HydrophobicContact CE1-CG2 3.8Å; F180-V184 HydrophobicContact CE2-CG2 4.08Å; F180-V184 HydrophobicContact CZ-CG2 3.67Å; F180-V184 WeakPolarHBondContact O-CG2 3.45Å; F180-V184 PolarHBondContact O-N 3.45Å; A181-V184 PolarHBondContact O-N 2.9Å; V184-R186 VanDerWaalsContact C-N 3.32Å; V184-R186 PolarHBondContact O-N 2.96Å; V184-D187 PolarHBondContact O-N 3.39Å; V184-A188 VanDerWaalsContact O-CB 3.28Å; V184-A188 WeakPolarHBondContact O-CB 3.11Å; V184-A188 PolarHBondContact O-N 3.47Å; V184-L209 HydrophobicContact CB-CD1 4.39Å; V184-L209 HydrophobicContact CB-CD2 4.45Å; V184-L209 HydrophobicContact CG1-CD1 4.22Å; V184-L209 HydrophobicContact CG1-CD2 4.16Å
185E97.7Very high97.6Very high38 Ų3848.3 Ų48.318%0.17828%0.278CS..Hα-helixtrans-61.6-40.9177.8-167.8-166.6174.200111.8L163 V167 A181 A183 A188 R189L163-E185 HydrophobicContact CD2-CG 3.63Å; L163-E185 WeakPolarHBondContact CD2-O 3.25Å; V167-E185 WeakPolarHBondContact CG1-OE2 3.31Å; A181-E185 PolarHBondContact O-N 3.1Å; A183-E185 VanDerWaalsContact C-N 3.32Å; A183-E185 PolarHBondContact O-N 3.36Å; E185-A188 PolarHBondContact O-N 3.18Å; E185-R189 WeakPolarHBondContact O-CB 3.32Å; E185-R189 PolarHBondContact O-N 3.17Å; E185-R189 IonicContact OE1-NH2 3.85Å; E185-R189 PolarHBondContact OE1-NH2 3.45Å; E185-R189 VanDerWaalsContact OE1-NH2 3.14Å
186R98.1Very high97.7Very high170 Ų17048.4 Ų48.464%0.64228%0.275SS*.Hα-helixtrans-65.9-44.2177.1171.4173.341.4166.3-5.3111.9C182 A183 V184 R189 A190C182-R186 WeakPolarHBondContact O-CB 3.36Å; C182-R186 PolarHBondContact O-N 3Å; C182-R186 VanDerWaalsContact O-N 3.13Å; A183-R186 WeakPolarHBondContact O-CB 3.45Å; A183-R186 PolarHBondContact O-N 3.23Å; A183-R186 VanDerWaalsContact O-N 3.16Å; V184-R186 VanDerWaalsContact C-N 3.32Å; V184-R186 PolarHBondContact O-N 2.96Å; R186-R189 WeakPolarHBondContact O-CB 3.21Å; R186-R189 PolarHBondContact O-N 3Å; R186-A190 PolarHBondContact O-N 3.02Å; R186-A190 VanDerWaalsContact O-N 3.15Å
187D98.5Very high97.8Very high26 Ų2652.5 Ų52.514%0.13928%0.277CS..Hα-helixtrans-62.2-45.4176.2-66.3-17000110.5R96 V139 A183 V184 R189 A190 A191R96-D187 IonicContact NH1-OD2 2.73Å; R96-D187 PolarHBondContact NH1-OD2 3.33Å; V139-D187 HydrophobicContact CB-CB 4.34Å; V139-D187 HydrophobicContact CG2-CB 3.92Å; A183-D187 VanDerWaalsContact O-CG 3.32Å; A183-D187 PolarHBondContact O-N 3Å; V184-D187 PolarHBondContact O-N 3.39Å; D187-R189 VanDerWaalsContact C-N 3.31Å; D187-R189 PolarHBondContact O-N 3.32Å; D187-A190 WeakPolarHBondContact O-CB 3.35Å; D187-A190 PolarHBondContact O-N 3.48Å; D187-A190 VanDerWaalsContact O-N 3.09Å; D187-A191 PolarHBondContact O-N 3.37Å
188A98.4Very high98Very high0 Ų052.1 Ų52.10%027%0.268CS..Hα-helixtrans-59.2-40.8175.200000112.3V139 L161 P162 L163 V184 E185 A190 A191 V192V139-A188 HydrophobicContact CB-CB 4.42Å; V139-A188 HydrophobicContact CG1-CB 4.19Å; V139-A188 HydrophobicContact CG2-CB 4.49Å; L161-A188 HydrophobicContact CD1-CB 4.03Å; L161-A188 WeakPolarHBondContact CD1-O 3.49Å; L161-A188 HydrophobicContact CG-CB 4.46Å; P162-A188 HydrophobicContact CG-CB 3.9Å; L163-A188 HydrophobicContact CD2-CB 3.76Å; L163-A188 HydrophobicContact CG-CB 3.94Å; V184-A188 VanDerWaalsContact O-CB 3.28Å; V184-A188 WeakPolarHBondContact O-CB 3.11Å; V184-A188 PolarHBondContact O-N 3.47Å; E185-A188 PolarHBondContact O-N 3.18Å; A188-A190 VanDerWaalsContact C-N 3.27Å; A188-A190 PolarHBondContact O-N 2.99Å; A188-A191 WeakPolarHBondContact O-CB 3.2Å; A188-A191 PolarHBondContact O-N 2.82Å; A188-A191 VanDerWaalsContact O-N 3.1Å; A188-V192 PolarHBondContact O-N 3.19Å
189R98.4Very high97.9Very high153 Ų15350.4 Ų50.458%0.57728%0.277SS*.Hα-helixtrans-62.1-37.9176.6-166.2178-60.2-82.2-4.6111.6L163 E185 R186 D187L163-R189 HydrophobicContact CD2-CB 4.08Å; E185-R189 WeakPolarHBondContact O-CB 3.32Å; E185-R189 PolarHBondContact O-N 3.17Å; E185-R189 IonicContact OE1-NH2 3.85Å; E185-R189 PolarHBondContact OE1-NH2 3.45Å; E185-R189 VanDerWaalsContact OE1-NH2 3.14Å; R186-R189 WeakPolarHBondContact O-CB 3.21Å; R186-R189 PolarHBondContact O-N 3Å; D187-R189 VanDerWaalsContact C-N 3.31Å; D187-R189 PolarHBondContact O-N 3.32Å
190A98.2Very high97.9Very high68 Ų6847.9 Ų47.956%0.56225%0.254SS*.Hα-helixtrans-70.1-32.6174.700000112.4R186 D187 A188 V192 P194R186-A190 PolarHBondContact O-N 3.02Å; R186-A190 VanDerWaalsContact O-N 3.15Å; D187-A190 WeakPolarHBondContact O-CB 3.35Å; D187-A190 PolarHBondContact O-N 3.48Å; D187-A190 VanDerWaalsContact O-N 3.09Å; A188-A190 VanDerWaalsContact C-N 3.27Å; A188-A190 PolarHBondContact O-N 2.99Å; A190-V192 VanDerWaalsContact C-N 3.28Å; A190-V192 PolarHBondContact O-N 2.82Å; A190-P194 VanDerWaalsContact O-CD 3.32Å; A190-P194 WeakPolarHBondContact O-CD 3.29Å
191A98.6Very high97.8Very high0 Ų049.4 Ų49.40%026%0.259CS..Hα-helixtrans-69.6-17.3178.800000114.5V139 C144 L161 D187 A188 G193 P194 F195V139-A191 HydrophobicContact CB-CB 4.06Å; V139-A191 HydrophobicContact CG1-CB 3.99Å; C144-A191 HydrophobicContact CB-CB 3.78Å; L161-A191 HydrophobicContact CD1-CB 4.47Å; D187-A191 PolarHBondContact O-N 3.37Å; A188-A191 WeakPolarHBondContact O-CB 3.2Å; A188-A191 PolarHBondContact O-N 2.82Å; A188-A191 VanDerWaalsContact O-N 3.1Å; A191-G193 VanDerWaalsContact C-N 3.26Å; A191-G193 PolarHBondContact O-N 3.5Å; A191-P194 WeakPolarHBondContact O-CD 3.34Å; A191-F195 HydrophobicContact CB-CD1 4.48Å; A191-F195 HydrophobicContact CB-CD2 4.22Å; A191-F195 HydrophobicContact CB-CE1 4.19Å; A191-F195 HydrophobicContact CB-CE2 3.9Å; A191-F195 HydrophobicContact CB-CZ 3.89Å; A191-F195 WeakPolarHBondContact O-CB 3.18Å; A191-F195 VanDerWaalsContact O-CG 3.23Å; A191-F195 WeakPolarHBondContact O-CG 3.37Å; A191-F195 PolarHBondContact O-N 2.68Å
192V98.5Very high97.7Very high48 Ų4852.4 Ų52.429%0.29127%0.27SS..Hα-helixtrans-54.4-41.2177.9171.90000112.5L161 L163 A188 A190 S196 W202L161-V192 HydrophobicContact CD1-CG2 4.42Å; L161-V192 HydrophobicContact CD2-CG2 3.75Å; L163-V192 HydrophobicContact CD1-CG2 4.4Å; A188-V192 PolarHBondContact O-N 3.19Å; A190-V192 VanDerWaalsContact C-N 3.28Å; A190-V192 PolarHBondContact O-N 2.82Å; V192-S196 WeakPolarHBondContact O-CB 3.49Å; V192-S196 PolarHBondContact O-N 2.71Å; V192-S196 PolarHBondContact O-OG 3.28Å; V192-W202 HydrophobicContact CG1-CH2 4.33Å; V192-W202 HydrophobicContact CG1-CZ2 4.08Å; V192-W202 HydrophobicContact CG2-CZ2 4.47Å
193G98.2Very high97.6Very high27 Ų2750.6 Ų50.628%0.27826%0.257SS..Hα-helixtrans-64-59.8179.900000112.1A191 F195 S196 R197A191-G193 VanDerWaalsContact C-N 3.26Å; A191-G193 PolarHBondContact O-N 3.5Å; G193-F195 PolarHBondContact O-N 3.38Å; G193-S196 PolarHBondContact O-N 3.24Å; G193-R197 VanDerWaalsContact O-CG 3.32Å; G193-R197 WeakPolarHBondContact O-CG 3.28Å; G193-R197 PolarHBondContact O-N 2.93Å
194P98.1Very high97.5Very high16 Ų1654.5 Ų54.510%0.10428%0.275CS..Hα-helixtrans-49.2-52.2172-31.537.7000113.3A190 A191 S196 R197 H198A190-P194 VanDerWaalsContact O-CD 3.32Å; A190-P194 WeakPolarHBondContact O-CD 3.29Å; A191-P194 WeakPolarHBondContact O-CD 3.34Å; P194-S196 PolarHBondContact O-N 3.26Å; P194-R197 PolarHBondContact O-N 3.24Å; P194-H198 PolarHBondContact O-CD2 2.95Å; P194-H198 VanDerWaalsContact O-CD2 3.28Å; P194-H198 PolarHBondContact O-N 2.92Å
195F98.4Very high97.3Very high0 Ų054.9 Ų54.90%028%0.278CS..Hα-helixtrans-62.6-44.7-176.5-66.4-5000112V139 C144 F147 A148 T159 L161 A191 G193 R197 H198 G199 L200 W202V139-F195 HydrophobicContact CG1-CE2 4.1Å; V139-F195 HydrophobicContact CG1-CZ 4.06Å; C144-F195 HydrophobicContact CB-CE1 3.86Å; C144-F195 HydrophobicContact CB-CZ 4.34Å; C144-F195 WeakPolarHBondContact O-CE1 3.44Å; F147-F195 AromaticContact CD1-CE1 3.81Å; F147-F195 HydrophobicContact CD1-CE1 3.81Å; F147-F195 HydrophobicContact CD1-CZ 4.12Å; F147-F195 HydrophobicContact CE1-CE1 4.4Å; F147-F195 HydrophobicContact CE1-CZ 4.35Å; A148-F195 HydrophobicContact CB-CD1 3.97Å; T159-F195 HydrophobicContact CG2-CD2 3.67Å; T159-F195 HydrophobicContact CG2-CE2 3.82Å; T159-F195 HydrophobicContact CG2-CG 4.21Å; T159-F195 HydrophobicContact CG2-CZ 4.46Å; L161-F195 HydrophobicContact CD1-CD2 3.92Å; L161-F195 HydrophobicContact CD1-CE2 3.89Å; A191-F195 HydrophobicContact CB-CD1 4.48Å; A191-F195 HydrophobicContact CB-CD2 4.22Å; A191-F195 HydrophobicContact CB-CE1 4.19Å; A191-F195 HydrophobicContact CB-CE2 3.9Å; A191-F195 HydrophobicContact CB-CZ 3.89Å; A191-F195 WeakPolarHBondContact O-CB 3.18Å; A191-F195 VanDerWaalsContact O-CG 3.23Å; A191-F195 WeakPolarHBondContact O-CG 3.37Å; A191-F195 PolarHBondContact O-N 2.68Å; G193-F195 PolarHBondContact O-N 3.38Å; F195-R197 PolarHBondContact O-N 3.14Å; F195-H198 PolarHBondContact O-N 3.15Å; F195-G199 PolarHBondContact O-N 2.89Å; F195-L200 HydrophobicContact CB-CB 4.12Å; F195-L200 HydrophobicContact CB-CD1 4.33Å; F195-L200 HydrophobicContact CD1-CD1 4.05Å; F195-L200 HydrophobicContact CG-CD1 4.22Å; F195-L200 WeakPolarHBondContact O-CB 3.46Å; F195-L200 PolarHBondContact O-N 3.39Å; F195-W202 HydrophobicContact CB-CE3 4.07Å; F195-W202 HydrophobicContact CB-CH2 4Å; F195-W202 HydrophobicContact CB-CZ3 3.36Å; F195-W202 HydrophobicContact CD2-CE3 4.34Å; F195-W202 HydrophobicContact CD2-CZ3 4.37Å; F195-W202 HydrophobicContact CG-CZ3 4.39Å
196S97.6Very high97.3Very high64 Ų6453.1 Ų53.145%0.44827%0.27SS..Hα-helixtrans-58.9-44.7175.9-63.20000112.7V192 G193 P194 H198 G199 W202V192-S196 WeakPolarHBondContact O-CB 3.49Å; V192-S196 PolarHBondContact O-N 2.71Å; V192-S196 PolarHBondContact O-OG 3.28Å; G193-S196 PolarHBondContact O-N 3.24Å; P194-S196 PolarHBondContact O-N 3.26Å; S196-H198 PolarHBondContact O-N 3.39Å; S196-G199 PolarHBondContact O-N 3.24Å; S196-W202 WeakPolarHBondContact OG-CH2 3.44Å
197R97.9Very high97.3Very high188 Ų18845.1 Ų45.171%0.70924%0.239SC*.Hα-helixtrans-62.8-29.6-176.9-74.9175.5-167.5138.10.9113.1G193 P194 F195G193-R197 VanDerWaalsContact O-CG 3.32Å; G193-R197 WeakPolarHBondContact O-CG 3.28Å; G193-R197 PolarHBondContact O-N 2.93Å; P194-R197 PolarHBondContact O-N 3.24Å; F195-R197 PolarHBondContact O-N 3.14Å
198H97.6Very high97.3Very high31 Ų3143.9 Ų43.914%0.14423%0.233CC..THydrogen-bonded Turntrans-95.49.1177.8-69.3-76.6000113.3Q145 A148 E149 Q152 P194 F195 S196 L200Q145-H198 PolarHBondContact NE2-NE2 3.33Å; A148-H198 HydrophobicContact CB-CB 3.88Å; E149-H198 WeakPolarHBondContact CG-CE1 3.44Å; Q152-H198 HydrophobicContact CB-CB 4.29Å; Q152-H198 PolarHBondContact NE2-O 3.35Å; Q152-H198 PolarHBondContact OE1-ND1 3.28Å; P194-H198 PolarHBondContact O-CD2 2.95Å; P194-H198 VanDerWaalsContact O-CD2 3.28Å; P194-H198 PolarHBondContact O-N 2.92Å; F195-H198 PolarHBondContact O-N 3.15Å; S196-H198 PolarHBondContact O-N 3.39Å; H198-L200 VanDerWaalsContact C-N 3.26Å; H198-L200 PolarHBondContact O-N 3.13Å
199G95.7Very high97.2Very high47 Ų4744.7 Ų44.749%0.48524%0.237SC..THydrogen-bonded Turntrans71.520176.200000113.9F195 S196F195-G199 PolarHBondContact O-N 2.89Å; S196-G199 PolarHBondContact O-N 3.24Å
200L96.4Very high97.2Very high8 Ų837.4 Ų37.44%0.04221%0.21CC..  trans-72.7148.2172.9-58.6-169.5000110.6F147 A148 L151 V156 T159 F195 H198 W202F147-L200 HydrophobicContact CE1-CD1 4.5Å; A148-L200 HydrophobicContact CB-CD1 3.92Å; L151-L200 HydrophobicContact CB-CD1 4.36Å; L151-L200 HydrophobicContact CB-CD2 3.81Å; L151-L200 HydrophobicContact CD2-CD1 3.7Å; L151-L200 HydrophobicContact CD2-CD2 3.94Å; L151-L200 HydrophobicContact CD2-CG 4.5Å; V156-L200 WeakPolarHBondContact O-CD2 3.28Å; T159-L200 HydrophobicContact CG2-CB 4.04Å; T159-L200 HydrophobicContact CG2-CD1 3.84Å; F195-L200 HydrophobicContact CB-CB 4.12Å; F195-L200 HydrophobicContact CB-CD1 4.33Å; F195-L200 HydrophobicContact CD1-CD1 4.05Å; F195-L200 HydrophobicContact CG-CD1 4.22Å; F195-L200 WeakPolarHBondContact O-CB 3.46Å; F195-L200 PolarHBondContact O-N 3.39Å; H198-L200 VanDerWaalsContact C-N 3.26Å; H198-L200 PolarHBondContact O-N 3.13Å; L200-W202 VanDerWaalsContact O-CZ3 3.23Å; L200-W202 WeakPolarHBondContact O-CZ3 3.43Å
201R95.1Very high97.1Very high82 Ų8234.2 Ų34.231%0.30918%0.183SC..BIsolated β-bridgetrans-120.6155.5178.5-62.4179.2-67.9-178.40.2109.7R157 F158 T159 D300R157-R201 WeakPolarHBondContact O-CB 3.49Å; R157-R201 PolarHBondContact O-N 3.41Å; F158-R201 CarbonylContact C-O 3.6Å; F158-R201 WeakPolarHBondContact CA-O 3.48Å; F158-R201 HydrophobicContact CD1-CB 3.78Å; F158-R201 HydrophobicContact CE1-CB 3.62Å; F158-R201 HydrophobicContact CG-CB 4.46Å; F158-R201 HydrophobicContact CZ-CB 4.18Å; T159-R201 PolarHBondContact N-O 3.42Å; R201-D300 IonicContact CZ-OD1 2.67Å; R201-D300 IonicContact NH1-OD1 3.63Å; R201-D300 PolarHBondContact NH1-OD1 2.97Å; R201-D300 IonicContact NH2-OD1 3.6Å; R201-D300 PolarHBondContact NH2-OD1 2.95Å; R201-D300 IonicContact NH2-OD2 3.17Å; R201-D300 PolarHBondContact NH2-OD2 2.95Å
202W96.5Very high96.9Very high65 Ų6535.8 Ų35.825%0.24619%0.194CC..  trans-149.4169.6177.65288.2000108.5T159 L161 V192 F195 S196 L200T159-W202 HydrophobicContact CG2-CE3 4.39Å; T159-W202 WeakPolarHBondContact O-CA 3.33Å; T159-W202 WeakPolarHBondContact O-CB 3.46Å; L161-W202 HydrophobicContact CB-CB 3.78Å; L161-W202 HydrophobicContact CB-CD2 4.18Å; L161-W202 HydrophobicContact CB-CG 3.62Å; L161-W202 HydrophobicContact CD2-CD2 3.95Å; L161-W202 HydrophobicContact CD2-CG 3.95Å; L161-W202 HydrophobicContact CD2-CZ2 4.11Å; L161-W202 VanDerWaalsContact CD2-NE1 3.29Å; L161-W202 HydrophobicContact CG-CG 4.41Å; V192-W202 HydrophobicContact CG1-CH2 4.33Å; V192-W202 HydrophobicContact CG1-CZ2 4.08Å; V192-W202 HydrophobicContact CG2-CZ2 4.47Å; F195-W202 HydrophobicContact CB-CE3 4.07Å; F195-W202 HydrophobicContact CB-CH2 4Å; F195-W202 HydrophobicContact CB-CZ3 3.36Å; F195-W202 HydrophobicContact CD2-CE3 4.34Å; F195-W202 HydrophobicContact CD2-CZ3 4.37Å; F195-W202 HydrophobicContact CG-CZ3 4.39Å; S196-W202 WeakPolarHBondContact OG-CH2 3.44Å; L200-W202 VanDerWaalsContact O-CZ3 3.23Å; L200-W202 WeakPolarHBondContact O-CZ3 3.43Å
203T96Very high96.7Very high8 Ų833.5 Ų33.55%0.04918%0.18CC..  trans-73152.8175.849.60000111.7A205 T239 E241 L299T203-A205 PolarHBondContact O-N 2.5Å; T203-A205 VanDerWaalsContact O-N 3.11Å; T203-A205 PolarHBondContact OG1-O 2.95Å; T203-T239 WeakPolarHBondContact CA-OG1 3.45Å; T203-E241 HydrophobicContact CG2-CB 4.22Å; T203-E241 PolarHBondContact OG1-N 3.41Å; T203-L299 HydrophobicContact CG2-CD1 3.92Å
204D94.9Very high96.6Very high106 Ų10637.2 Ų37.257%0.56719%0.186SC*.SBendtrans-59.4-26.4179-55.6-64.6000112.8L238 T239D204-L238 HydrophobicContact CB-CD2 4.17Å; D204-T239 WeakPolarHBondContact CA-O 3.27Å; D204-T239 WeakPolarHBondContact CB-O 3.01Å; D204-T239 PolarHBondContact N-O 2.98Å; D204-T239 PolarHBondContact N-OG1 3.09Å; D204-T239 PolarHBondContact OD2-N 3.5Å; D204-T239 PolarHBondContact OD2-OG1 3.14Å
205A95Very high96.5Very high8 Ų837.4 Ų37.47%0.06619%0.185CC..EExtended strand (participates in β ladder)trans-141.5159.9176.300000113.7T203 V228 T239 A240 E241T203-A205 PolarHBondContact O-N 2.5Å; T203-A205 VanDerWaalsContact O-N 3.11Å; T203-A205 PolarHBondContact OG1-O 2.95Å; A205-V228 HydrophobicContact CB-CB 4.1Å; A205-V228 HydrophobicContact CB-CG1 3.36Å; A205-V228 HydrophobicContact CB-CG2 3.58Å; A205-T239 PolarHBondContact N-O 3.18Å; A205-T239 VanDerWaalsContact N-O 3.08Å; A205-A240 HydrophobicContact CB-CB 4.24Å; A205-A240 CarbonylContact O-C 3.1Å; A205-A240 VanDerWaalsContact O-CA 3.31Å; A205-A240 WeakPolarHBondContact O-CA 3.37Å; A205-E241 PolarHBondContact O-N 2.96Å
206F97.9Very high96.5Very high1 Ų137.4 Ų37.40%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-129140.5174.6179.3-93.6000110.5R160 L161 P162 E164 L209 E241 M243R160-F206 VanDerWaalsContact CD-CE2 3.41Å; R160-F206 HydrophobicContact CG-CD2 3.98Å; R160-F206 HydrophobicContact CG-CE2 3.82Å; L161-F206 WeakPolarHBondContact O-CB 3.33Å; P162-F206 HydrophobicContact CB-CD1 4.08Å; P162-F206 HydrophobicContact CB-CE1 4.01Å; P162-F206 HydrophobicContact CB-CG 4.43Å; P162-F206 HydrophobicContact CB-CZ 4.27Å; E164-F206 WeakPolarHBondContact CA-O 3.49Å; E164-F206 HydrophobicContact CB-CD1 4.22Å; F206-L209 HydrophobicContact CE1-CG 3.99Å; F206-E241 CarbonylContact C-O 3.59Å; F206-E241 WeakPolarHBondContact CA-O 3.3Å; F206-E241 HydrophobicContact CD2-CB 4.18Å; F206-E241 HydrophobicContact CD2-CG 4.33Å; F206-E241 HydrophobicContact CE2-CG 4.44Å; F206-M243 HydrophobicContact CE2-CB 3.71Å; F206-M243 HydrophobicContact CZ-CB 3.52Å; F206-M243 HydrophobicContact CZ-CE 4.2Å; F206-M243 HydrophobicContact CZ-CG 4.38Å; F206-M243 HydrophobicContact CZ-SD 4.07Å
207V98.1Very high96.5Very high1 Ų136 Ų361%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-132.9134.2172.1-179.40000107.8T211 A224 L225 E241 L242 M243V207-T211 HydrophobicContact CG1-CG2 4.11Å; V207-A224 HydrophobicContact CB-CB 4.41Å; V207-A224 HydrophobicContact CG1-CB 3.63Å; V207-A224 HydrophobicContact CG2-CB 3.83Å; V207-L225 HydrophobicContact CG2-CD2 3.93Å; V207-L225 HydrophobicContact CG2-CG 4.43Å; V207-E241 PolarHBondContact N-O 3.36Å; V207-L242 HydrophobicContact CB-CD1 4.01Å; V207-L242 HydrophobicContact CG1-CD1 3.72Å; V207-L242 CarbonylContact O-C 3.48Å; V207-L242 VanDerWaalsContact O-CA 3.28Å; V207-L242 WeakPolarHBondContact O-CA 3.32Å; V207-M243 PolarHBondContact O-N 3.28Å
208G97.1Very high96.4Very high0 Ų028 Ų280%015%0.149CC..  trans157.2-25174.800000114.2E164 T211 C212 M243E164-G208 PolarHBondContact OE2-N 2.99Å; G208-T211 WeakPolarHBondContact CA-OG1 3.26Å; G208-C212 VanDerWaalsContact O-CB 3.32Å; G208-C212 WeakPolarHBondContact O-CB 3.33Å; G208-C212 PolarHBondContact O-N 2.75Å; G208-C212 VanDerWaalsContact O-N 3.14Å; G208-M243 VanDerWaalsContact C-CE 3.46Å; G208-M243 VanDerWaalsContact O-CE 3.31Å; G208-M243 WeakPolarHBondContact O-CE 3.42Å
209L97.7Very high96.4Very high18 Ų1833 Ų339%0.09417%0.172CC..THydrogen-bonded Turntrans-65.7-42.3173.1-64.7176.7000110.7H136 E164 V167 A181 V184 F206H136-L209 WeakPolarHBondContact NE2-CD2 3.34Å; E164-L209 HydrophobicContact CB-CB 4.48Å; E164-L209 HydrophobicContact CB-CD1 4.24Å; E164-L209 WeakPolarHBondContact OE2-CA 3.3Å; E164-L209 WeakPolarHBondContact OE2-CB 3.41Å; E164-L209 PolarHBondContact OE2-N 2.9Å; V167-L209 HydrophobicContact CG2-CB 3.9Å; A181-L209 HydrophobicContact CB-CB 3.96Å; A181-L209 HydrophobicContact CB-CD1 4.15Å; A181-L209 HydrophobicContact CB-CG 4.46Å; V184-L209 HydrophobicContact CB-CD1 4.39Å; V184-L209 HydrophobicContact CB-CD2 4.45Å; V184-L209 HydrophobicContact CG1-CD1 4.22Å; V184-L209 HydrophobicContact CG1-CD2 4.16Å; F206-L209 HydrophobicContact CE1-CG 3.99Å
210S97.2Very high96.4Very high0 Ų034 Ų340%016%0.161CC..THydrogen-bonded Turntrans-86.7-12.3-179.581.30000114.6E164 W172E164-S210 WeakPolarHBondContact OE1-CB 3.32Å; E164-S210 PolarHBondContact OE1-OG 2.96Å; E164-S210 PolarHBondContact OE2-N 3.49Å; W172-S210 PolarHBondContact NE1-O 2.85Å
211T97.1Very high96.5Very high0 Ų033.6 Ų33.60%016%0.159CC..THydrogen-bonded Turntrans-116.21.6-171.757.70000113.8V207 G208 H215 M216 R220 V221V207-T211 HydrophobicContact CG1-CG2 4.11Å; G208-T211 WeakPolarHBondContact CA-OG1 3.26Å; T211-H215 CarbonylContact O-C 3.59Å; T211-M216 WeakPolarHBondContact O-CA 3.22Å; T211-M216 WeakPolarHBondContact O-CB 3.46Å; T211-M216 PolarHBondContact O-N 3.33Å; T211-R220 HydrophobicContact CG2-CB 4.05Å; T211-V221 HydrophobicContact CG2-CG2 4.36Å
212C94.5Very high96.5Very high33 Ų3329.9 Ų29.922%0.22315%0.146CC..SBendtrans-61.5146177.5-174.90000113G208 H215 H245G208-C212 VanDerWaalsContact O-CB 3.32Å; G208-C212 WeakPolarHBondContact O-CB 3.33Å; G208-C212 PolarHBondContact O-N 2.75Å; G208-C212 VanDerWaalsContact O-N 3.14Å; C212-H215 WeakPolarHBondContact O-CB 3.4Å; C212-H215 PolarHBondContact O-N 3.19Å; C212-H245 VanDerWaalsContact SG-CE1 3.53Å; C212-H245 PolarHBondContact SG-ND1 2.96Å
213G94.1Very high96.4Very high0 Ų028 Ų280%015%0.147CC..G310 helixtrans62.7-133.4173.600000113H215 M216 E269 H272 E273G213-H215 PolarHBondContact O-N 3.42Å; G213-M216 PolarHBondContact O-N 3.16Å; G213-E269 WeakPolarHBondContact CA-OE2 3.32Å; G213-H272 PolarHBondContact O-CD2 3.13Å; G213-E273 VanDerWaalsContact CA-OE1 3.3Å; G213-E273 WeakPolarHBondContact CA-OE1 3.46Å; G213-E273 PolarHBondContact N-OE1 2.84Å
214R94.7Very high96.4Very high106 Ų10627.7 Ų27.740%0.415%0.145SC..G310 helixtrans-56.8-15.9177.766.3-178177.8-72.7-6.8113.7E174 M216 E269E174-R214 IonicContact OE1-CZ 2.69Å; E174-R214 IonicContact OE1-NH2 3.77Å; E174-R214 PolarHBondContact OE1-NH2 3.4Å; E174-R214 IonicContact OE2-NH2 3.79Å; E174-R214 PolarHBondContact OE2-NH2 2.93Å; R214-M216 VanDerWaalsContact C-N 3.34Å; R214-E269 HydrophobicContact CB-CG 3.93Å; R214-E269 WeakPolarHBondContact CD-OE1 3.35Å; R214-E269 WeakPolarHBondContact CG-OE1 3.39Å; R214-E269 IonicContact CZ-OE1 3.71Å; R214-E269 PolarHBondContact N-OE2 3.45Å; R214-E269 IonicContact NE-OE1 2.76Å; R214-E269 IonicContact NH1-OE1 2.62Å; R214-E269 PolarHBondContact NH1-OE1 3.44Å; R214-E269 IonicContact NH1-OE2 3.94Å
215H96.9Very high96.5Very high19 Ų1922.9 Ų22.99%0.08812%0.119CC..G310 helixtrans-81.4-13-179.1-60.6-66.6000113.7W172 T211 C212 G213 S217 R220W172-H215 AromaticContact CD1-CG 3.83Å; W172-H215 AromaticContact CD1-ND1 3.57Å; W172-H215 PolarHBondContact O-CE1 3.43Å; T211-H215 CarbonylContact O-C 3.59Å; C212-H215 WeakPolarHBondContact O-CB 3.4Å; C212-H215 PolarHBondContact O-N 3.19Å; G213-H215 PolarHBondContact O-N 3.42Å; H215-S217 PolarHBondContact O-N 2.99Å; H215-R220 VanDerWaalsContact CA-NH1 3.26Å; H215-R220 WeakPolarHBondContact O-CD 3.26Å; H215-R220 PolarHBondContact O-NH1 3.23Å
216M98.1Very high96.3Very high1 Ų124.9 Ų24.91%0.00514%0.136CC..  trans-65.4127.8-179.3-169170.6-79.100110.9T211 G213 R214 V221 A244 H272 E273 V276 L277T211-M216 WeakPolarHBondContact O-CA 3.22Å; T211-M216 WeakPolarHBondContact O-CB 3.46Å; T211-M216 PolarHBondContact O-N 3.33Å; G213-M216 PolarHBondContact O-N 3.16Å; R214-M216 VanDerWaalsContact C-N 3.34Å; M216-V221 HydrophobicContact CG-CG2 4.42Å; M216-A244 HydrophobicContact CE-CB 3.73Å; M216-H272 PolarHBondContact O-NE2 3.07Å; M216-E273 HydrophobicContact CB-CG 3.93Å; M216-E273 HydrophobicContact CE-CB 4.47Å; M216-E273 HydrophobicContact CE-CG 4.07Å; M216-E273 WeakPolarHBondContact CE-OE2 3.43Å; M216-E273 HydrophobicContact SD-CB 3.96Å; M216-E273 HydrophobicContact SD-CG 3.93Å; M216-V276 HydrophobicContact CG-CB 4.19Å; M216-V276 HydrophobicContact CG-CG1 3.88Å; M216-V276 HydrophobicContact SD-CB 4.28Å; M216-V276 HydrophobicContact SD-CG1 4.24Å; M216-L277 HydrophobicContact SD-CD1 4.48Å; M216-L277 HydrophobicContact SD-CD2 4.19Å; M216-L277 HydrophobicContact SD-CG 4.05Å
217S97.6Very high96.1Very high34 Ų3427.3 Ų27.324%0.23815%0.145CC..  trans-157154169.372.80000109.8H215 H219 R220 V221H215-S217 PolarHBondContact O-N 2.99Å; S217-H219 PolarHBondContact O-N 3.04Å; S217-R220 PolarHBondContact O-N 3.3Å; S217-R220 VanDerWaalsContact O-N 3.13Å; S217-R220 PolarHBondContact OG-N 3.14Å; S217-R220 VanDerWaalsContact OG-N 3.15Å; S217-V221 WeakPolarHBondContact O-CG2 3.27Å; S217-V221 PolarHBondContact O-N 3.31Å
218A96.5Very high95.5Very high19 Ų1928 Ų2816%0.15715%0.149CC..Hα-helixtrans-53.8-39.2175.100000111.9S222 L282 R285A218-S222 VanDerWaalsContact O-CB 3.23Å; A218-S222 WeakPolarHBondContact O-CB 3.27Å; A218-S222 PolarHBondContact O-N 2.87Å; A218-S222 PolarHBondContact O-OG 3.12Å; A218-L282 HydrophobicContact CB-CB 4.36Å; A218-L282 HydrophobicContact CB-CD1 4.03Å; A218-R285 HydrophobicContact CB-CB 4.41Å
219H96.4Very high95Very high138 Ų13829.1 Ų29.164%0.63916%0.155SC*.Hα-helixtrans-62.7-48.3177.2177.672.2000112.7S217 G223S217-H219 PolarHBondContact O-N 3.04Å; H219-G223 PolarHBondContact O-N 3.16Å
220R97.3Very high94.4Very high67 Ų6733.5 Ų33.525%0.25318%0.175SC..Hα-helixtrans-71.8-39.6-177.6-75.7170.9177.2150.80.9112.5W172 T211 H215 S217 G223 A224W172-R220 HydrophobicContact CZ2-CG 4.38Å; T211-R220 HydrophobicContact CG2-CB 4.05Å; H215-R220 VanDerWaalsContact CA-NH1 3.26Å; H215-R220 WeakPolarHBondContact O-CD 3.26Å; H215-R220 PolarHBondContact O-NH1 3.23Å; S217-R220 PolarHBondContact O-N 3.3Å; S217-R220 VanDerWaalsContact O-N 3.13Å; S217-R220 PolarHBondContact OG-N 3.14Å; S217-R220 VanDerWaalsContact OG-N 3.15Å; R220-G223 PolarHBondContact O-N 3.04Å; R220-A224 WeakPolarHBondContact O-CB 3.34Å; R220-A224 PolarHBondContact O-N 3Å
221V97.4Very high93.2Very high0 Ų037.4 Ų37.40%022%0.215CC..Hα-helixtrans-59.6-49.3173.9172.20000110T211 M216 S217 G223 A224 L225 L242 L282 L286T211-V221 HydrophobicContact CG2-CG2 4.36Å; M216-V221 HydrophobicContact CG-CG2 4.42Å; S217-V221 WeakPolarHBondContact O-CG2 3.27Å; S217-V221 PolarHBondContact O-N 3.31Å; V221-G223 PolarHBondContact O-N 3.18Å; V221-A224 PolarHBondContact O-N 3.37Å; V221-L225 HydrophobicContact CG1-CD1 4.16Å; V221-L225 WeakPolarHBondContact O-CG 3.43Å; V221-L225 PolarHBondContact O-N 3.42Å; V221-L242 HydrophobicContact CG1-CD1 4.49Å; V221-L242 HydrophobicContact CG1-CD2 3.89Å; V221-L242 HydrophobicContact CG2-CD1 4.23Å; V221-L242 HydrophobicContact CG2-CD2 4.2Å; V221-L282 HydrophobicContact CB-CD1 4.24Å; V221-L282 HydrophobicContact CG1-CD1 4.21Å; V221-L286 HydrophobicContact CG1-CD2 4.28Å
222S95.5Very high92.2Very high3 Ų339.5 Ų39.52%0.02123%0.228CC..Hα-helixtrans-63.4-41.3178.8-54.50000112.3A218 A224 L225 A226 R285 D289A218-S222 VanDerWaalsContact O-CB 3.23Å; A218-S222 WeakPolarHBondContact O-CB 3.27Å; A218-S222 PolarHBondContact O-N 2.87Å; A218-S222 PolarHBondContact O-OG 3.12Å; S222-A224 VanDerWaalsContact C-N 3.34Å; S222-A224 PolarHBondContact O-N 3.4Å; S222-L225 PolarHBondContact O-N 2.63Å; S222-A226 WeakPolarHBondContact O-CB 3.29Å; S222-A226 PolarHBondContact O-N 3.13Å; S222-R285 WeakPolarHBondContact OG-CG 3.38Å; S222-D289 VanDerWaalsContact CB-OD2 3.25Å; S222-D289 WeakPolarHBondContact CB-OD2 3.39Å; S222-D289 PolarHBondContact OG-OD2 2.97Å
223G95.6Very high91.2Very high26 Ų2644 Ų4427%0.26825%0.249SC..Hα-helixtrans-63.2-38175.200000112.9H219 R220 V221 A226 R227H219-G223 PolarHBondContact O-N 3.16Å; R220-G223 PolarHBondContact O-N 3.04Å; V221-G223 PolarHBondContact O-N 3.18Å; G223-A226 PolarHBondContact O-N 2.95Å; G223-R227 WeakPolarHBondContact O-CG 3.41Å; G223-R227 PolarHBondContact O-N 3.49Å; G223-R227 VanDerWaalsContact O-N 3.1Å; G223-R227 PolarHBondContact O-NH1 2.71Å
224A95.9Very high90.1Very high2 Ų249 Ų492%0.01729%0.291CS..Hα-helixtrans-65.7-45.3174.900000112V207 R220 V221 S222 A226 R227 V228V207-A224 HydrophobicContact CB-CB 4.41Å; V207-A224 HydrophobicContact CG1-CB 3.63Å; V207-A224 HydrophobicContact CG2-CB 3.83Å; R220-A224 WeakPolarHBondContact O-CB 3.34Å; R220-A224 PolarHBondContact O-N 3Å; V221-A224 PolarHBondContact O-N 3.37Å; S222-A224 VanDerWaalsContact C-N 3.34Å; S222-A224 PolarHBondContact O-N 3.4Å; A224-A226 VanDerWaalsContact C-N 3.32Å; A224-A226 PolarHBondContact O-N 3.28Å; A224-R227 PolarHBondContact O-N 3.34Å; A224-V228 WeakPolarHBondContact O-CG2 3.3Å; A224-V228 PolarHBondContact O-N 3.47Å
225L95.2Very high89.1Confident5 Ų547.5 Ų47.53%0.02631%0.307CS..Hα-helixtrans-64.5-36.3175-65.2172.8000112.3L8 V207 V221 S222 V228 L229 A240 L286 V291L8-L225 HydrophobicContact CD1-CD2 4.21Å; L8-L225 HydrophobicContact CD2-CD1 4.14Å; V207-L225 HydrophobicContact CG2-CD2 3.93Å; V207-L225 HydrophobicContact CG2-CG 4.43Å; V221-L225 HydrophobicContact CG1-CD1 4.16Å; V221-L225 WeakPolarHBondContact O-CG 3.43Å; V221-L225 PolarHBondContact O-N 3.42Å; S222-L225 PolarHBondContact O-N 2.63Å; L225-V228 WeakPolarHBondContact O-CB 3.39Å; L225-V228 PolarHBondContact O-N 3.01Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.14Å; L225-A240 HydrophobicContact CD2-CB 3.91Å; L225-L286 HydrophobicContact CD1-CD2 3.71Å; L225-V291 HydrophobicContact CD1-CG1 4.44Å; L225-V291 HydrophobicContact CD1-CG2 4.12Å
226A92.6Very high88.4Confident50 Ų5052.5 Ų52.541%0.41333%0.331SS..Hα-helixtrans-62.2-4317500000112S222 G223 A224 V228 L229 E230S222-A226 WeakPolarHBondContact O-CB 3.29Å; S222-A226 PolarHBondContact O-N 3.13Å; G223-A226 PolarHBondContact O-N 2.95Å; A224-A226 VanDerWaalsContact C-N 3.32Å; A224-A226 PolarHBondContact O-N 3.28Å; A226-V228 PolarHBondContact O-N 3.07Å; A226-L229 WeakPolarHBondContact O-CB 3.34Å; A226-L229 PolarHBondContact O-N 3Å; A226-L229 VanDerWaalsContact O-N 3.07Å; A226-E230 PolarHBondContact O-N 3.33Å
227R91.8Very high87.9Confident51 Ų5154.8 Ų54.819%0.19235%0.345CS..Hα-helixtrans-60.4-33.3175.3-71.9-169.8-56.7-87.47113E164 R165 G223 A224 E230E164-R227 IonicContact OE1-NH2 3.37Å; R165-R227 WeakPolarHBondContact CD-O 3.26Å; R165-R227 PolarHBondContact NE-O 3.4Å; R165-R227 PolarHBondContact NH1-O 2.77Å; R165-R227 PolarHBondContact O-NE 3.49Å; R165-R227 VanDerWaalsContact O-NE 3.17Å; G223-R227 WeakPolarHBondContact O-CG 3.41Å; G223-R227 PolarHBondContact O-N 3.49Å; G223-R227 VanDerWaalsContact O-N 3.1Å; G223-R227 PolarHBondContact O-NH1 2.71Å; A224-R227 PolarHBondContact O-N 3.34Å; R227-E230 WeakPolarHBondContact O-CB 3.44Å; R227-E230 PolarHBondContact O-N 2.77Å
228V86.8Confident87.7Confident17 Ų1754.2 Ų54.210%0.10334%0.339CS..Hα-helixtrans-66.6-42.1175.5171.10000110.5A205 A224 L225 A226 E230 T232 L238A205-V228 HydrophobicContact CB-CB 4.1Å; A205-V228 HydrophobicContact CB-CG1 3.36Å; A205-V228 HydrophobicContact CB-CG2 3.58Å; A224-V228 WeakPolarHBondContact O-CG2 3.3Å; A224-V228 PolarHBondContact O-N 3.47Å; L225-V228 WeakPolarHBondContact O-CB 3.39Å; L225-V228 PolarHBondContact O-N 3.01Å; A226-V228 PolarHBondContact O-N 3.07Å; V228-E230 PolarHBondContact O-N 2.8Å; V228-T232 PolarHBondContact O-OG1 2.66Å; V228-L238 HydrophobicContact CG1-CD1 3.63Å
229L87Confident87.6Confident22 Ų2254.6 Ų54.612%0.11534%0.34CS..Hα-helixtrans-68.4-20.8179.4-68.7166.2000113.3R5 V6 L225 A226 G231 T232 L238R5-L229 HydrophobicContact CB-CD2 4.33Å; V6-L229 HydrophobicContact CG2-CD1 4.01Å; V6-L229 HydrophobicContact CG2-CD2 3.81Å; V6-L229 HydrophobicContact CG2-CG 4.09Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.14Å; A226-L229 WeakPolarHBondContact O-CB 3.34Å; A226-L229 PolarHBondContact O-N 3Å; A226-L229 VanDerWaalsContact O-N 3.07Å; L229-G231 PolarHBondContact O-N 3.24Å; L229-T232 PolarHBondContact O-N 3.4Å; L229-L238 HydrophobicContact CD2-CD1 3.79Å; L229-L238 HydrophobicContact CD2-CG 4.47Å
230E84.6Confident87.6Confident111 Ų11148.1 Ų48.152%0.51931%0.31SS..THydrogen-bonded Turntrans-60.9107.1175.3-70.2169.1-162.800111R165 A226 R227 V228R165-E230 VanDerWaalsContact CZ-O 3.22Å; R165-E230 PolarHBondContact NH1-O 3.15Å; R165-E230 PolarHBondContact NH2-O 2.93Å; A226-E230 PolarHBondContact O-N 3.33Å; R227-E230 WeakPolarHBondContact O-CB 3.44Å; R227-E230 PolarHBondContact O-N 2.77Å; V228-E230 PolarHBondContact O-N 2.8Å
231G71.1Confident87.7Confident81 Ų8145.2 Ų45.284%0.83530%0.299SS*.THydrogen-bonded Turntrans95.75.7-178.400000114.8L229L229-G231 PolarHBondContact O-N 3.24Å
232T77.6Confident87.7Confident44 Ų4445.3 Ų45.327%0.2730%0.299SS..PPolyproline II helixtrans-81.6134.3170.2-57.70000110.4V228 L229 H236 L238V228-T232 PolarHBondContact O-OG1 2.66Å; L229-T232 PolarHBondContact O-N 3.4Å; T232-H236 HydrophobicContact CG2-CB 4.24Å; T232-L238 HydrophobicContact CG2-CD1 4.05Å; T232-L238 HydrophobicContact CG2-CD2 3.83Å; T232-L238 HydrophobicContact CG2-CG 3.91Å; T232-L238 WeakPolarHBondContact OG1-CD1 3.38Å
233L72.9Confident87.9Confident128 Ų12845.4 Ų45.467%0.6730%0.3SS*.PPolyproline II helixtrans-60.7137177.9-66.9174.2000111.3G235 H236L233-G235 PolarHBondContact O-N 3.13Å; L233-H236 PolarHBondContact O-N 3.37Å
234A71.8Confident88Confident106 Ų10644.1 Ų44.188%0.87629%0.287SS*.THydrogen-bonded Turntrans-55.3129.8175.300000110.5
235G72.9Confident88.1Confident73 Ų7344.9 Ų44.975%0.75329%0.29SS*.THydrogen-bonded Turntrans95.3-7.3178.400000116.1L233L233-G235 PolarHBondContact O-N 3.13Å
236H82.3Confident88.2Confident124 Ų12444.7 Ų44.757%0.57429%0.289SS*.PPolyproline II helixtrans-86.7131.1170.5-74.471.1000110.9T232 L233T232-H236 HydrophobicContact CG2-CB 4.24Å; L233-H236 PolarHBondContact O-N 3.37Å
237T88.3Confident88.4Confident50 Ų5042.3 Ų42.331%0.30727%0.269SS..PPolyproline II helixtrans-90.3119.4170.7-62.40000108.4P4 R7P4-T237 HydrophobicContact CG-CG2 4.07Å; P4-T237 WeakPolarHBondContact O-CB 3.1Å; P4-T237 WeakPolarHBondContact O-CG2 3.36Å; P4-T237 PolarHBondContact O-OG1 3.49Å; R7-T237 HydrophobicContact CG-CG2 3.67Å
238L92.2Very high88.6Confident22 Ų2242.5 Ų42.512%0.11527%0.27CS..EExtended strand (participates in β ladder)trans-83.3154.9174.4-62.8178.2000111.5R5 V6 R7 D204 V228 L229 T232R5-L238 PolarHBondContact O-N 3.28Å; V6-L238 CarbonylContact C-O 3.47Å; V6-L238 VanDerWaalsContact CA-O 3.32Å; V6-L238 WeakPolarHBondContact CA-O 3.37Å; R7-L238 PolarHBondContact N-O 3.09Å; D204-L238 HydrophobicContact CB-CD2 4.17Å; V228-L238 HydrophobicContact CG1-CD1 3.63Å; L229-L238 HydrophobicContact CD2-CD1 3.79Å; L229-L238 HydrophobicContact CD2-CG 4.47Å; T232-L238 HydrophobicContact CG2-CD1 4.05Å; T232-L238 HydrophobicContact CG2-CD2 3.83Å; T232-L238 HydrophobicContact CG2-CG 3.91Å; T232-L238 WeakPolarHBondContact OG1-CD1 3.38Å
239T95.2Very high88.9Confident27 Ų2742.4 Ų42.417%0.16627%0.27CS..EExtended strand (participates in β ladder)trans-102.7139165.160.20000109.6R7 T203 D204 A205 L299R7-T239 HydrophobicContact CB-CG2 4.49Å; R7-T239 CarbonylContact O-C 3.53Å; R7-T239 WeakPolarHBondContact O-CA 3.34Å; T203-T239 WeakPolarHBondContact CA-OG1 3.45Å; D204-T239 WeakPolarHBondContact CA-O 3.27Å; D204-T239 WeakPolarHBondContact CB-O 3.01Å; D204-T239 PolarHBondContact N-O 2.98Å; D204-T239 PolarHBondContact N-OG1 3.09Å; D204-T239 PolarHBondContact OD2-N 3.5Å; D204-T239 PolarHBondContact OD2-OG1 3.14Å; A205-T239 PolarHBondContact N-O 3.18Å; A205-T239 VanDerWaalsContact N-O 3.08Å; T239-L299 HydrophobicContact CG2-CD1 4.14Å; T239-L299 HydrophobicContact CG2-CD2 3.69Å; T239-L299 HydrophobicContact CG2-CG 4.46Å
240A96.6Very high89.1Confident1 Ų141.6 Ų41.61%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-138.4149.6177.500000110.4V6 R7 L8 V9 A205 L225V6-A240 HydrophobicContact CG1-CB 3.77Å; R7-A240 PolarHBondContact O-N 3.49Å; L8-A240 WeakPolarHBondContact CA-O 3.32Å; L8-A240 HydrophobicContact CD1-CB 3.82Å; V9-A240 PolarHBondContact N-O 3.37Å; A205-A240 HydrophobicContact CB-CB 4.24Å; A205-A240 CarbonylContact O-C 3.1Å; A205-A240 VanDerWaalsContact O-CA 3.31Å; A205-A240 WeakPolarHBondContact O-CA 3.37Å; L225-A240 HydrophobicContact CD2-CB 3.91Å
241E98.2Very high89.3Confident7 Ų740.1 Ų40.13%0.03326%0.264CS..EExtended strand (participates in β ladder)trans-109.3132.7166.5-176.2-178.3-16500109.3V9 T11 R160 T203 A205 F206 V207V9-E241 CarbonylContact O-C 3.49Å; V9-E241 WeakPolarHBondContact O-CA 3.37Å; T11-E241 WeakPolarHBondContact CB-OE1 3.47Å; T11-E241 PolarHBondContact OG1-OE1 2.76Å; R160-E241 WeakPolarHBondContact CB-OE2 3.5Å; R160-E241 VanDerWaalsContact CG-OE2 3.24Å; R160-E241 WeakPolarHBondContact CG-OE2 3.44Å; R160-E241 IonicContact CZ-OE1 3.24Å; R160-E241 VanDerWaalsContact CZ-OE1 3.3Å; R160-E241 VanDerWaalsContact NE-CD 3.3Å; R160-E241 IonicContact NE-OE1 2.62Å; R160-E241 PolarHBondContact NE-OE1 3.17Å; R160-E241 IonicContact NE-OE2 3.26Å; R160-E241 PolarHBondContact NE-OE2 3.47Å; R160-E241 VanDerWaalsContact NE-OE2 3.13Å; R160-E241 IonicContact NH2-OE1 3.04Å; R160-E241 PolarHBondContact NH2-OE1 2.91Å; T203-E241 HydrophobicContact CG2-CB 4.22Å; T203-E241 PolarHBondContact OG1-N 3.41Å; A205-E241 PolarHBondContact O-N 2.96Å; F206-E241 CarbonylContact C-O 3.59Å; F206-E241 WeakPolarHBondContact CA-O 3.3Å; F206-E241 HydrophobicContact CD2-CB 4.18Å; F206-E241 HydrophobicContact CD2-CG 4.33Å; F206-E241 HydrophobicContact CE2-CG 4.44Å; V207-E241 PolarHBondContact N-O 3.36Å
242L98.4Very high90Very high1 Ų140.3 Ų40.31%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-106.4110.5163.417264.3000108.4L8 V9 V10 T11 V207 V221L8-L242 HydrophobicContact CD1-CB 3.93Å; V9-L242 PolarHBondContact O-N 3.13Å; V10-L242 CarbonylContact C-O 3.52Å; V10-L242 WeakPolarHBondContact CA-O 3.41Å; V10-L242 HydrophobicContact CG1-CD2 4.21Å; V10-L242 HydrophobicContact CG1-CG 4.39Å; V10-L242 HydrophobicContact CG2-CB 4.22Å; V10-L242 HydrophobicContact CG2-CD2 4.15Å; T11-L242 PolarHBondContact N-O 3.37Å; V207-L242 HydrophobicContact CB-CD1 4.01Å; V207-L242 HydrophobicContact CG1-CD1 3.72Å; V207-L242 CarbonylContact O-C 3.48Å; V207-L242 VanDerWaalsContact O-CA 3.28Å; V207-L242 WeakPolarHBondContact O-CA 3.32Å; V221-L242 HydrophobicContact CG1-CD1 4.49Å; V221-L242 HydrophobicContact CG1-CD2 3.89Å; V221-L242 HydrophobicContact CG2-CD1 4.23Å; V221-L242 HydrophobicContact CG2-CD2 4.2Å
243M98.5Very high90.4Very high5 Ų543.8 Ų43.83%0.02528%0.275CS..EExtended strand (participates in β ladder)trans-76.4136.1168.5175-16769.600109.9D13 H136 R160 F206 V207 G208D13-M243 WeakPolarHBondContact OD2-CG 3.2Å; H136-M243 VanDerWaalsContact CE1-SD 3.56Å; R160-M243 VanDerWaalsContact NH1-CG 3.31Å; R160-M243 PolarHBondContact NH1-SD 3.13Å; F206-M243 HydrophobicContact CE2-CB 3.71Å; F206-M243 HydrophobicContact CZ-CB 3.52Å; F206-M243 HydrophobicContact CZ-CE 4.2Å; F206-M243 HydrophobicContact CZ-CG 4.38Å; F206-M243 HydrophobicContact CZ-SD 4.07Å; V207-M243 PolarHBondContact O-N 3.28Å; G208-M243 VanDerWaalsContact C-CE 3.46Å; G208-M243 VanDerWaalsContact O-CE 3.31Å; G208-M243 WeakPolarHBondContact O-CE 3.42Å
244A98.2Very high90.8Very high0 Ų041.6 Ų41.60%027%0.267CS..EExtended strand (participates in β ladder)trans-140.6160.6176.700000111.4T11 A12 D13 M216 E273 L277T11-A244 PolarHBondContact O-N 3.16Å; A12-A244 WeakPolarHBondContact CA-O 3.36Å; D13-A244 PolarHBondContact N-O 3.2Å; M216-A244 HydrophobicContact CE-CB 3.73Å; A244-E273 VanDerWaalsContact CA-OE2 3.29Å; A244-E273 WeakPolarHBondContact CA-OE2 3.34Å; A244-E273 WeakPolarHBondContact CB-OE2 2.98Å; A244-L277 HydrophobicContact CB-CD1 3.78Å
245H97.8Very high91.4Very high18 Ų1836.9 Ų36.98%0.08323%0.228CC..  trans-128.249.2178.3-54.791.5000111.5D14 C212 F264 R270 E273D14-H245 IonicContact OD2-CD2 3.91Å; D14-H245 PolarHBondContact OD2-CD2 3.39Å; C212-H245 VanDerWaalsContact SG-CE1 3.53Å; C212-H245 PolarHBondContact SG-ND1 2.96Å; H245-F264 HydrophobicContact CB-CE1 4.19Å; H245-F264 HydrophobicContact CB-CZ 4.14Å; H245-R270 HydrophobicContact CB-CG 4.49Å; H245-R270 WeakPolarHBondContact O-CA 3.49Å; H245-R270 VanDerWaalsContact O-CB 3.29Å; H245-R270 WeakPolarHBondContact O-CB 3.21Å; H245-R270 VanDerWaalsContact O-CG 3.27Å; H245-R270 WeakPolarHBondContact O-CG 3.07Å; H245-E273 PolarHBondContact N-OE2 3.43Å; H245-E273 IonicContact ND1-OE1 3.67Å
246P97.8Very high92Very high0 Ų033.4 Ų33.40%019%0.193CC..  trans-63.8150.1178.729.7-33.8000110.8A12 I25 A28 V34 L274 L277A12-P246 HydrophobicContact CB-CG 3.72Å; I25-P246 HydrophobicContact CG1-CG 4.2Å; I25-P246 WeakPolarHBondContact CG1-O 3.46Å; A28-P246 HydrophobicContact CB-CB 4.11Å; A28-P246 HydrophobicContact CB-CG 4.11Å; V34-P246 HydrophobicContact CG2-CG 4.38Å; P246-L274 HydrophobicContact CB-CB 4Å; P246-L274 HydrophobicContact CB-CD1 4.24Å; P246-L277 HydrophobicContact CB-CD1 3.75Å; P246-L277 HydrophobicContact CG-CD1 3.68Å
247G96.7Very high92.2Very high0 Ų027.8 Ų27.80%017%0.167CC..  trans159.1161.9175.300000112.3R270 L271G247-R270 PolarHBondContact N-O 3.03Å; G247-R270 CarbonylContact O-C 3.48Å; G247-R270 WeakPolarHBondContact O-CB 3.48Å; G247-L271 WeakPolarHBondContact O-CA 3.08Å; G247-L271 PolarHBondContact O-N 3.18Å; G247-L271 VanDerWaalsContact O-N 3.09Å
248Y96.3Very high91.7Very high55 Ų5527.8 Ų27.822%0.21618%0.177CC..PPolyproline II helixtrans-75.4147166.3-62.9-77.7000110R20 E23 E27 S250 L271 L274R20-Y248 WeakPolarHBondContact O-CB 3.27Å; R20-Y248 VanDerWaalsContact O-CD2 3.32Å; R20-Y248 WeakPolarHBondContact O-CD2 3.44Å; R20-Y248 PolarHBondContact O-N 3.32Å; E23-Y248 HydrophobicContact CB-CD2 4.43Å; E23-Y248 HydrophobicContact CG-CD2 4.45Å; E23-Y248 HydrophobicContact CG-CE2 4.16Å; E27-Y248 PolarHBondContact OE2-OH 3.33Å; Y248-S250 PolarHBondContact O-N 2.69Å; Y248-L271 HydrophobicContact CD1-CD1 3.91Å; Y248-L271 HydrophobicContact CE1-CD1 3.86Å; Y248-L274 HydrophobicContact CD2-CD2 4.43Å; Y248-L274 HydrophobicContact CE1-CD2 4.16Å; Y248-L274 HydrophobicContact CE2-CD2 4Å
249P92.8Very high90.9Very high15 Ų1531.9 Ų31.910%0.09720%0.196CC..PPolyproline II helixtrans-56.3140.4175-24.434.1000111.6W268P249-W268 HydrophobicContact CG-CD2 4.1Å; P249-W268 HydrophobicContact CG-CE3 3.94Å; P249-W268 HydrophobicContact CG-CZ3 4.34Å
250S90.5Very high90.2Very high6 Ų631.6 Ų31.64%0.04220%0.197CC..PPolyproline II helixtrans-70.5149.6174.4-50.70000109.8C18 Y248 P261 S265C18-S250 PolarHBondContact SG-OG 3.06Å; Y248-S250 PolarHBondContact O-N 2.69Å; S250-P261 VanDerWaalsContact CB-CB 3.49Å; S250-S265 WeakPolarHBondContact CB-O 3.45Å; S250-S265 PolarHBondContact N-O 2.98Å; S250-S265 PolarHBondContact OG-O 2.92Å; S250-S265 VanDerWaalsContact OG-O 3.05Å
251V88.7Confident89.4Confident79 Ų7932.6 Ų32.648%0.47920%0.204SC..  trans-118.9111.8176.7-179.70000107.5T254V251-T254 WeakPolarHBondContact O-CB 3.48Å; V251-T254 PolarHBondContact O-N 3.33Å
252P86.8Confident88.5Confident85 Ų8535.5 Ų35.555%0.55222%0.22SC*.THydrogen-bonded Turntrans-53.3145.1177-25.231.7000112.4T254 P261P252-T254 VanDerWaalsContact C-N 3.32Å; P252-P261 HydrophobicContact CB-CG 4.35Å; P252-P261 HydrophobicContact CG-CG 3.91Å
253P84.9Confident87.7Confident118 Ų11839.8 Ų39.877%0.76626%0.255SS*.THydrogen-bonded Turncis-84.33.12.135.5-36.1000113.8G255P253-G255 PolarHBondContact O-N 2.78Å
254T82.3Confident86.7Confident82 Ų8242.2 Ų42.250%0.50327%0.266SS..SBendtrans-75.5119.6-172.7-53.70000112V251 P252V251-T254 WeakPolarHBondContact O-CB 3.48Å; V251-T254 PolarHBondContact O-N 3.33Å; P252-T254 VanDerWaalsContact C-N 3.32Å
255G83.8Confident85.8Confident7 Ų742.3 Ų42.37%0.07227%0.266CS..  trans129.2-178.317200000112.9Y17 P253 G260Y17-G255 WeakPolarHBondContact O-CA 3.31Å; P253-G255 PolarHBondContact O-N 2.78Å; G255-G260 CarbonylContact O-C 3.6Å; G255-G260 VanDerWaalsContact O-CA 3.28Å; G255-G260 WeakPolarHBondContact O-CA 3.49Å
256G86.5Confident85.2Confident0 Ų043.6 Ų43.60%028%0.277CS..THydrogen-bonded Turntrans88.8-178.7-179.800000113.1Y17 A44Y17-G256 VanDerWaalsContact CD1-N 3.26Å; Y17-G256 VanDerWaalsContact CE1-CA 3.49Å; Y17-G256 PolarHBondContact O-N 2.73Å; Y17-G256 WeakPolarHBondContact OH-CA 3.34Å; A44-G256 WeakPolarHBondContact CB-O 3.42Å; A44-G256 PolarHBondContact N-O 3.44Å
257C85.7Confident84.8Confident5 Ų545 Ų453%0.03429%0.286CS..THydrogen-bonded Turntrans-101.221174.4-58.30000112.1N42 E68 G69 R70N42-C257 WeakPolarHBondContact O-CA 3.45Å; N42-C257 PolarHBondContact OD1-SG 3.14Å; E68-C257 HydrophobicContact CB-CB 4.5Å; E68-C257 HydrophobicContact CG-CB 4.2Å; E68-C257 WeakPolarHBondContact O-CB 3.38Å; G69-C257 CarbonylContact C-O 3.49Å; G69-C257 WeakPolarHBondContact CA-O 3.4Å; R70-C257 PolarHBondContact N-O 3.23Å
258G77.4Confident84.6Confident50 Ų5053.7 Ų53.752%0.51532%0.319SS..THydrogen-bonded Turntrans132.7-12.5176.300000115.8F88F88-G258 WeakPolarHBondContact CE1-O 3.46Å
259E76.3Confident84.5Confident109 Ų10953 Ų5351%0.50932%0.318SS..THydrogen-bonded Turntrans-102.6-4.9-178.2-65.1173.9-103.900113.2G69 F88G69-E259 WeakPolarHBondContact CA-OE1 3.5Å; G69-E259 PolarHBondContact N-OE1 2.75Å; F88-E259 HydrophobicContact CB-CG 4.35Å; F88-E259 HydrophobicContact CD1-CG 3.38Å; F88-E259 HydrophobicContact CD2-CG 4.09Å; F88-E259 HydrophobicContact CE1-CG 3.5Å; F88-E259 VanDerWaalsContact CE1-CG 3.5Å; F88-E259 HydrophobicContact CE2-CG 4.21Å; F88-E259 HydrophobicContact CG-CG 3.69Å; F88-E259 HydrophobicContact CZ-CG 3.91Å
260G79.3Confident84.6Confident20 Ų2052.5 Ų52.521%0.20631%0.314CS..  trans88.4173.2-164.900000111.8G255G255-G260 CarbonylContact O-C 3.6Å; G255-G260 VanDerWaalsContact O-CA 3.28Å; G255-G260 WeakPolarHBondContact O-CA 3.49Å
261P81.6Confident84.9Confident22 Ų2252.9 Ų52.914%0.14332%0.316CS..  trans-73.8139.4-177.930.2-35.5000112.8Y17 S250 P252Y17-P261 HydrophobicContact CE1-CB 4.05Å; Y17-P261 WeakPolarHBondContact OH-CA 3.42Å; S250-P261 VanDerWaalsContact CB-CB 3.49Å; P252-P261 HydrophobicContact CB-CG 4.35Å; P252-P261 HydrophobicContact CG-CG 3.91Å
262D78.9Confident85.4Confident69 Ų6952.3 Ų52.337%0.36931%0.308SS..  trans-77176.9172.281.2-15.5000113.3Y17 F264 S265 C266Y17-D262 PolarHBondContact OH-N 2.69Å; D262-F264 VanDerWaalsContact C-N 3.3Å; D262-F264 PolarHBondContact O-N 3.22Å; D262-F264 PolarHBondContact OD1-N 3.34Å; D262-S265 WeakPolarHBondContact O-CB 3.28Å; D262-S265 PolarHBondContact O-N 2.81Å; D262-S265 VanDerWaalsContact O-N 3.15Å; D262-S265 WeakPolarHBondContact OD1-CA 3.48Å; D262-S265 WeakPolarHBondContact OD1-CB 3.37Å; D262-S265 PolarHBondContact OD1-N 2.96Å; D262-S265 PolarHBondContact OD1-OG 3.03Å; D262-C266 PolarHBondContact O-N 3.27Å; D262-C266 VanDerWaalsContact O-N 3.07Å; D262-C266 PolarHBondContact O-SG 2.77Å
263A80.5Confident85.9Confident90 Ų9048.2 Ų48.274%0.74428%0.281SS*.THydrogen-bonded Turntrans-61.3-37-179.100000112.7S265 C266 S267A263-S265 VanDerWaalsContact C-N 3.34Å; A263-C266 PolarHBondContact O-N 3.39Å; A263-S267 PolarHBondContact O-N 2.94Å
264F77.8Confident86.5Confident57 Ų5742.7 Ų42.725%0.2525%0.245CC..THydrogen-bonded Turntrans-68.4-36.6176.5-178.2-111.5000111.4H245 D262 C266 S267H245-F264 HydrophobicContact CB-CE1 4.19Å; H245-F264 HydrophobicContact CB-CZ 4.14Å; D262-F264 VanDerWaalsContact C-N 3.3Å; D262-F264 PolarHBondContact O-N 3.22Å; D262-F264 PolarHBondContact OD1-N 3.34Å; F264-C266 VanDerWaalsContact C-N 3.3Å; F264-C266 PolarHBondContact O-N 3Å; F264-S267 WeakPolarHBondContact O-CB 3.08Å; F264-S267 PolarHBondContact O-N 3.33Å; F264-S267 VanDerWaalsContact O-N 3.08Å
265S79.6Confident87.3Confident2 Ų246.4 Ų46.41%0.01425%0.25CS..THydrogen-bonded Turntrans-66.7-29.7177-64.60000113.4Y17 R21 S250 D262 A263 S267Y17-S265 WeakPolarHBondContact CE1-OG 3.44Å; Y17-S265 PolarHBondContact OH-OG 3.22Å; R21-S265 PolarHBondContact NH2-OG 3.24Å; S250-S265 WeakPolarHBondContact CB-O 3.45Å; S250-S265 PolarHBondContact N-O 2.98Å; S250-S265 PolarHBondContact OG-O 2.92Å; S250-S265 VanDerWaalsContact OG-O 3.05Å; D262-S265 WeakPolarHBondContact O-CB 3.28Å; D262-S265 PolarHBondContact O-N 2.81Å; D262-S265 VanDerWaalsContact O-N 3.15Å; D262-S265 WeakPolarHBondContact OD1-CA 3.48Å; D262-S265 WeakPolarHBondContact OD1-CB 3.37Å; D262-S265 PolarHBondContact OD1-N 2.96Å; D262-S265 PolarHBondContact OD1-OG 3.03Å; A263-S265 VanDerWaalsContact C-N 3.34Å; S265-S267 VanDerWaalsContact C-N 3.34Å
266C86Confident88Confident45 Ų4547 Ų4730%0.30425%0.252SS..THydrogen-bonded Turntrans-88.2-3.6173.9-580000112.8D262 A263 F264D262-C266 PolarHBondContact O-N 3.27Å; D262-C266 VanDerWaalsContact O-N 3.07Å; D262-C266 PolarHBondContact O-SG 2.77Å; A263-C266 PolarHBondContact O-N 3.39Å; F264-C266 VanDerWaalsContact C-N 3.3Å; F264-C266 PolarHBondContact O-N 3Å
267S88.8Confident88.5Confident28 Ų2847 Ų4720%0.19625%0.252CS..  trans-77142.4-173.8-173.90000112.5A263 F264 S265 E269A263-S267 PolarHBondContact O-N 2.94Å; F264-S267 WeakPolarHBondContact O-CB 3.08Å; F264-S267 PolarHBondContact O-N 3.33Å; F264-S267 VanDerWaalsContact O-N 3.08Å; S265-S267 VanDerWaalsContact C-N 3.34Å; S267-E269 PolarHBondContact O-N 3.15Å; S267-E269 WeakPolarHBondContact OG-CB 3.36Å; S267-E269 VanDerWaalsContact OG-CG 3.26Å; S267-E269 WeakPolarHBondContact OG-CG 3.17Å; S267-E269 PolarHBondContact OG-N 2.98Å; S267-E269 VanDerWaalsContact OG-N 3.16Å
268W92.7Very high89.1Confident183 Ų18348.9 Ų48.969%0.69326%0.264SS*.THydrogen-bonded Turntrans-66.5-9.2169.1-69.498.1000113.4P249 R270 L271 H272P249-W268 HydrophobicContact CG-CD2 4.1Å; P249-W268 HydrophobicContact CG-CE3 3.94Å; P249-W268 HydrophobicContact CG-CZ3 4.34Å; W268-R270 VanDerWaalsContact C-N 3.29Å; W268-R270 PolarHBondContact O-N 2.95Å; W268-L271 HydrophobicContact CE3-CB 4.24Å; W268-L271 HydrophobicContact CE3-CD2 3.44Å; W268-L271 VanDerWaalsContact CE3-CD2 3.44Å; W268-L271 HydrophobicContact CE3-CG 4.46Å; W268-L271 HydrophobicContact CZ3-CD2 3.39Å; W268-L271 WeakPolarHBondContact O-CB 3.35Å; W268-L271 PolarHBondContact O-N 3.1Å; W268-L271 VanDerWaalsContact O-N 3.14Å; W268-H272 PolarHBondContact O-N 3.13Å
269E94.6Very high90Very high41 Ų4147.8 Ų47.819%0.19225%0.25CC..Hα-helixtrans-63-33.5177.2-69.3-169.3-175.800113.1G213 R214 S267 L271 H272 E273G213-E269 WeakPolarHBondContact CA-OE2 3.32Å; R214-E269 HydrophobicContact CB-CG 3.93Å; R214-E269 WeakPolarHBondContact CD-OE1 3.35Å; R214-E269 WeakPolarHBondContact CG-OE1 3.39Å; R214-E269 IonicContact CZ-OE1 3.71Å; R214-E269 PolarHBondContact N-OE2 3.45Å; R214-E269 IonicContact NE-OE1 2.76Å; R214-E269 IonicContact NH1-OE1 2.62Å; R214-E269 PolarHBondContact NH1-OE1 3.44Å; R214-E269 IonicContact NH1-OE2 3.94Å; S267-E269 PolarHBondContact O-N 3.15Å; S267-E269 WeakPolarHBondContact OG-CB 3.36Å; S267-E269 VanDerWaalsContact OG-CG 3.26Å; S267-E269 WeakPolarHBondContact OG-CG 3.17Å; S267-E269 PolarHBondContact OG-N 2.98Å; S267-E269 VanDerWaalsContact OG-N 3.16Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.3Å; E269-H272 WeakPolarHBondContact O-CB 3.33Å; E269-H272 PolarHBondContact O-N 3.3Å; E269-E273 PolarHBondContact O-N 3.02Å
270R94.6Very high90.9Very high4 Ų447.1 Ų47.12%0.01526%0.255CS..Hα-helixtrans-65.8-37.3172.7-65.1-168.9172.5-103.80.2112.4D14 R21 H245 G247 W268 H272 E273 L274D14-R270 IonicContact OD2-CZ 3.84Å; D14-R270 IonicContact OD2-NH1 3.67Å; D14-R270 PolarHBondContact OD2-NH1 3.33Å; D14-R270 VanDerWaalsContact OD2-NH1 3.13Å; D14-R270 IonicContact OD2-NH2 2.97Å; D14-R270 PolarHBondContact OD2-NH2 3.29Å; R21-R270 VanDerWaalsContact NH1-NH2 3.12Å; H245-R270 HydrophobicContact CB-CG 4.49Å; H245-R270 WeakPolarHBondContact O-CA 3.49Å; H245-R270 VanDerWaalsContact O-CB 3.29Å; H245-R270 WeakPolarHBondContact O-CB 3.21Å; H245-R270 VanDerWaalsContact O-CG 3.27Å; H245-R270 WeakPolarHBondContact O-CG 3.07Å; G247-R270 PolarHBondContact N-O 3.03Å; G247-R270 CarbonylContact O-C 3.48Å; G247-R270 WeakPolarHBondContact O-CB 3.48Å; W268-R270 VanDerWaalsContact C-N 3.29Å; W268-R270 PolarHBondContact O-N 2.95Å; R270-H272 VanDerWaalsContact C-N 3.28Å; R270-H272 PolarHBondContact O-N 3.37Å; R270-E273 PolarHBondContact O-N 3.45Å; R270-L274 WeakPolarHBondContact O-CB 3.26Å; R270-L274 PolarHBondContact O-N 2.97Å
271L96.9Very high91.6Very high14 Ų1450.6 Ų50.67%0.07327%0.272CS..Hα-helixtrans-68-34.2174.4-177.759.8000111G247 Y248 W268 E269 L274 R275G247-L271 WeakPolarHBondContact O-CA 3.08Å; G247-L271 PolarHBondContact O-N 3.18Å; G247-L271 VanDerWaalsContact O-N 3.09Å; Y248-L271 HydrophobicContact CD1-CD1 3.91Å; Y248-L271 HydrophobicContact CE1-CD1 3.86Å; W268-L271 HydrophobicContact CE3-CB 4.24Å; W268-L271 HydrophobicContact CE3-CD2 3.44Å; W268-L271 VanDerWaalsContact CE3-CD2 3.44Å; W268-L271 HydrophobicContact CE3-CG 4.46Å; W268-L271 HydrophobicContact CZ3-CD2 3.39Å; W268-L271 WeakPolarHBondContact O-CB 3.35Å; W268-L271 PolarHBondContact O-N 3.1Å; W268-L271 VanDerWaalsContact O-N 3.14Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.3Å; L271-L274 HydrophobicContact CD1-CB 4.47Å; L271-L274 HydrophobicContact CD1-CD2 3.96Å; L271-L274 PolarHBondContact O-N 2.79Å; L271-R275 WeakPolarHBondContact O-CB 3.39Å; L271-R275 VanDerWaalsContact O-CG 3.26Å; L271-R275 WeakPolarHBondContact O-CG 3.49Å; L271-R275 PolarHBondContact O-N 3.04Å
272H97.8Very high92.2Very high67 Ų6749.6 Ų49.631%0.3127%0.266SS..Hα-helixtrans-62.6-48.6173.1174.779.1000111.3G213 M216 W268 E269 R270 L274 R275 V276G213-H272 PolarHBondContact O-CD2 3.13Å; M216-H272 PolarHBondContact O-NE2 3.07Å; W268-H272 PolarHBondContact O-N 3.13Å; E269-H272 WeakPolarHBondContact O-CB 3.33Å; E269-H272 PolarHBondContact O-N 3.3Å; R270-H272 VanDerWaalsContact C-N 3.28Å; R270-H272 PolarHBondContact O-N 3.37Å; H272-L274 VanDerWaalsContact C-N 3.35Å; H272-L274 PolarHBondContact O-N 3.03Å; H272-R275 PolarHBondContact O-N 2.58Å; H272-V276 WeakPolarHBondContact O-CG2 3.3Å; H272-V276 PolarHBondContact O-N 2.76Å
273E98.1Very high93Very high0 Ų052.2 Ų52.20%027%0.27CS..Hα-helixtrans-58.3-45.9174.4-69.1-162.4-136.600112.1G213 M216 A244 H245 E269 R270 R275 V276 L277G213-E273 VanDerWaalsContact CA-OE1 3.3Å; G213-E273 WeakPolarHBondContact CA-OE1 3.46Å; G213-E273 PolarHBondContact N-OE1 2.84Å; M216-E273 HydrophobicContact CB-CG 3.93Å; M216-E273 HydrophobicContact CE-CB 4.47Å; M216-E273 HydrophobicContact CE-CG 4.07Å; M216-E273 WeakPolarHBondContact CE-OE2 3.43Å; M216-E273 HydrophobicContact SD-CB 3.96Å; M216-E273 HydrophobicContact SD-CG 3.93Å; A244-E273 VanDerWaalsContact CA-OE2 3.29Å; A244-E273 WeakPolarHBondContact CA-OE2 3.34Å; A244-E273 WeakPolarHBondContact CB-OE2 2.98Å; H245-E273 PolarHBondContact N-OE2 3.43Å; H245-E273 IonicContact ND1-OE1 3.67Å; E269-E273 PolarHBondContact O-N 3.02Å; R270-E273 PolarHBondContact O-N 3.45Å; E273-R275 VanDerWaalsContact C-N 3.33Å; E273-R275 PolarHBondContact O-N 2.95Å; E273-V276 PolarHBondContact O-N 3.31Å; E273-V276 VanDerWaalsContact O-N 3.1Å; E273-L277 WeakPolarHBondContact O-CG 3.14Å; E273-L277 PolarHBondContact O-N 3.05Å
274L98.3Very high93.6Very high2 Ų251.3 Ų51.31%0.0126%0.256CS..Hα-helixtrans-52.9-50.5174.9175.456.8000111.3G24 E27 A28 P246 Y248 R270 L271 H272 V276 L277 T278G24-L274 WeakPolarHBondContact O-CD1 3.43Å; E27-L274 HydrophobicContact CB-CD1 4.29Å; E27-L274 HydrophobicContact CG-CD1 4.47Å; A28-L274 HydrophobicContact CB-CD1 3.84Å; P246-L274 HydrophobicContact CB-CB 4Å; P246-L274 HydrophobicContact CB-CD1 4.24Å; Y248-L274 HydrophobicContact CD2-CD2 4.43Å; Y248-L274 HydrophobicContact CE1-CD2 4.16Å; Y248-L274 HydrophobicContact CE2-CD2 4Å; R270-L274 WeakPolarHBondContact O-CB 3.26Å; R270-L274 PolarHBondContact O-N 2.97Å; L271-L274 HydrophobicContact CD1-CB 4.47Å; L271-L274 HydrophobicContact CD1-CD2 3.96Å; L271-L274 PolarHBondContact O-N 2.79Å; H272-L274 VanDerWaalsContact C-N 3.35Å; H272-L274 PolarHBondContact O-N 3.03Å; L274-V276 VanDerWaalsContact C-N 3.31Å; L274-V276 PolarHBondContact O-N 3.24Å; L274-L277 PolarHBondContact O-N 2.76Å; L274-T278 HydrophobicContact CD1-CG2 3.69Å; L274-T278 HydrophobicContact CG-CG2 4.46Å; L274-T278 WeakPolarHBondContact O-CG2 3.36Å; L274-T278 PolarHBondContact O-N 2.73Å; L274-T278 PolarHBondContact O-OG1 3.35Å
275R98.3Very high94.4Very high159 Ų15953.1 Ų53.160%0.626%0.261SS*.Hα-helixtrans-61.5-37178.5-73.1169.7177.5175.40.4112.8L271 H272 E273 A279L271-R275 WeakPolarHBondContact O-CB 3.39Å; L271-R275 VanDerWaalsContact O-CG 3.26Å; L271-R275 WeakPolarHBondContact O-CG 3.49Å; L271-R275 PolarHBondContact O-N 3.04Å; H272-R275 PolarHBondContact O-N 2.58Å; E273-R275 VanDerWaalsContact C-N 3.33Å; E273-R275 PolarHBondContact O-N 2.95Å; R275-A279 WeakPolarHBondContact O-CB 3.44Å; R275-A279 PolarHBondContact O-N 3.15Å
276V98.2Very high95.2Very high19 Ų1953.1 Ų53.112%0.11526%0.261CS..Hα-helixtrans-69.9-40.2177.5175.20000111.1M216 H272 E273 L274 L282M216-V276 HydrophobicContact CG-CB 4.19Å; M216-V276 HydrophobicContact CG-CG1 3.88Å; M216-V276 HydrophobicContact SD-CB 4.28Å; M216-V276 HydrophobicContact SD-CG1 4.24Å; H272-V276 WeakPolarHBondContact O-CG2 3.3Å; H272-V276 PolarHBondContact O-N 2.76Å; E273-V276 PolarHBondContact O-N 3.31Å; E273-V276 VanDerWaalsContact O-N 3.1Å; L274-V276 VanDerWaalsContact C-N 3.31Å; L274-V276 PolarHBondContact O-N 3.24Å; V276-L282 HydrophobicContact CG1-CD2 4.35Å
277L98.1Very high95.5Very high1 Ų154.3 Ų54.31%0.00527%0.274CS..Hα-helixtrans-72.8-33.1179.6-67.5172.1000112.5V10 A28 A33 V34 M216 A244 P246 E273 L274 L282V10-L277 HydrophobicContact CG1-CD2 4.12Å; A28-L277 HydrophobicContact CB-CB 4.28Å; A28-L277 HydrophobicContact CB-CD1 4.47Å; A33-L277 HydrophobicContact CB-CB 4.26Å; A33-L277 HydrophobicContact CB-CD2 4.33Å; A33-L277 WeakPolarHBondContact CB-O 3.36Å; V34-L277 HydrophobicContact CG2-CD1 3.8Å; M216-L277 HydrophobicContact SD-CD1 4.48Å; M216-L277 HydrophobicContact SD-CD2 4.19Å; M216-L277 HydrophobicContact SD-CG 4.05Å; A244-L277 HydrophobicContact CB-CD1 3.78Å; P246-L277 HydrophobicContact CB-CD1 3.75Å; P246-L277 HydrophobicContact CG-CD1 3.68Å; E273-L277 WeakPolarHBondContact O-CG 3.14Å; E273-L277 PolarHBondContact O-N 3.05Å; L274-L277 PolarHBondContact O-N 2.76Å; L277-L282 HydrophobicContact CD2-CD2 3.71Å
278T97.9Very high95.8Very high45 Ų4559.7 Ų59.728%0.27630%0.296SS..Hα-helixtrans-84.4-16.2176.859.50000113E27 A28 A31 L274E27-T278 HydrophobicContact CG-CG2 4.14Å; A28-T278 HydrophobicContact CB-CG2 4.49Å; A31-T278 HydrophobicContact CB-CG2 3.87Å; L274-T278 HydrophobicContact CD1-CG2 3.69Å; L274-T278 HydrophobicContact CG-CG2 4.46Å; L274-T278 WeakPolarHBondContact O-CG2 3.36Å; L274-T278 PolarHBondContact O-N 2.73Å; L274-T278 PolarHBondContact O-OG1 3.35Å
279A96.1Very high95.7Very high26 Ų2653.4 Ų53.422%0.21528%0.276CS..SBendtrans-70.4136.1176.600000112.3R275 T281 L282R275-A279 WeakPolarHBondContact O-CB 3.44Å; R275-A279 PolarHBondContact O-N 3.15Å; A279-T281 PolarHBondContact O-N 3.29Å; A279-L282 PolarHBondContact O-N 3.18Å
280P94.2Very high95.7Very high96 Ų9652.8 Ų52.862%0.62328%0.28SS*.Hα-helixtrans-59.7-22.6174.9-25.434.2000114.1L282 R283 T284P280-L282 PolarHBondContact O-N 3.08Å; P280-R283 PolarHBondContact O-N 2.64Å; P280-T284 VanDerWaalsContact O-CB 3.28Å; P280-T284 WeakPolarHBondContact O-CB 3.26Å; P280-T284 PolarHBondContact O-N 2.66Å; P280-T284 PolarHBondContact O-OG1 3.28Å
281T94.9Very high95.7Very high93 Ų9353.2 Ų53.257%0.57128%0.283SS*.Hα-helixtrans-61.2-42.1-175.752.40000112.4A279 R285A279-T281 PolarHBondContact O-N 3.29Å; T281-R285 VanDerWaalsContact O-CB 3.27Å; T281-R285 WeakPolarHBondContact O-CB 3.29Å; T281-R285 PolarHBondContact O-N 3.22Å
282L94.4Very high95.6Very high1 Ų157.3 Ų57.31%0.00530%0.302CS..Hα-helixtrans-65.4-52.5178.6176.865.6000110.8A218 V221 V276 L277 A279 P280 T284 R285 L286A218-L282 HydrophobicContact CB-CB 4.36Å; A218-L282 HydrophobicContact CB-CD1 4.03Å; V221-L282 HydrophobicContact CB-CD1 4.24Å; V221-L282 HydrophobicContact CG1-CD1 4.21Å; V276-L282 HydrophobicContact CG1-CD2 4.35Å; L277-L282 HydrophobicContact CD2-CD2 3.71Å; A279-L282 PolarHBondContact O-N 3.18Å; P280-L282 PolarHBondContact O-N 3.08Å; L282-T284 VanDerWaalsContact C-N 3.33Å; L282-T284 PolarHBondContact O-N 3.23Å; L282-R285 PolarHBondContact O-N 3.42Å; L282-R285 VanDerWaalsContact O-N 3.13Å; L282-L286 HydrophobicContact CD1-CD1 4.17Å; L282-L286 HydrophobicContact CD1-CG 4.15Å; L282-L286 HydrophobicContact CG-CD1 4Å; L282-L286 HydrophobicContact CG-CG 4.36Å; L282-L286 WeakPolarHBondContact O-CG 3.47Å; L282-L286 PolarHBondContact O-N 3.3Å
283R94.3Very high95.5Very high123 Ų12356.2 Ų56.246%0.46430%0.298SS..Hα-helixtrans-60.8-41.8-179.3-69.9-178.561.6-158.7-6.4112.2A31 A33 P280 R285 L286 A287A31-R283 PolarHBondContact O-NH1 3.2Å; A33-R283 HydrophobicContact CB-CG 4.17Å; P280-R283 PolarHBondContact O-N 2.64Å; R283-R285 VanDerWaalsContact C-N 3.33Å; R283-R285 PolarHBondContact O-N 2.87Å; R283-L286 PolarHBondContact O-N 3.09Å; R283-A287 WeakPolarHBondContact O-CB 3.49Å; R283-A287 PolarHBondContact O-N 3.26Å
284T94.6Very high95.4Very high72 Ų7256.5 Ų56.544%0.44230%0.3SS..Hα-helixtrans-60.4-45.2175.4-58.60000110.8P280 L282 A287 Q288P280-T284 VanDerWaalsContact O-CB 3.28Å; P280-T284 WeakPolarHBondContact O-CB 3.26Å; P280-T284 PolarHBondContact O-N 2.66Å; P280-T284 PolarHBondContact O-OG1 3.28Å; L282-T284 VanDerWaalsContact C-N 3.33Å; L282-T284 PolarHBondContact O-N 3.23Å; T284-A287 PolarHBondContact O-N 3.33Å; T284-Q288 VanDerWaalsContact O-CG 3.28Å; T284-Q288 WeakPolarHBondContact O-CG 3.44Å; T284-Q288 PolarHBondContact O-N 2.9Å
285R95.1Very high94.9Very high94 Ų9457.2 Ų57.236%0.35531%0.307SS..Hα-helixtrans-65.6-45.8179.4179.958.2-176.5-119.13.9112.3A218 S222 T281 L282 R283 A287 Q288 D289A218-R285 HydrophobicContact CB-CB 4.41Å; S222-R285 WeakPolarHBondContact OG-CG 3.38Å; T281-R285 VanDerWaalsContact O-CB 3.27Å; T281-R285 WeakPolarHBondContact O-CB 3.29Å; T281-R285 PolarHBondContact O-N 3.22Å; L282-R285 PolarHBondContact O-N 3.42Å; L282-R285 VanDerWaalsContact O-N 3.13Å; R283-R285 VanDerWaalsContact C-N 3.33Å; R283-R285 PolarHBondContact O-N 2.87Å; R285-A287 VanDerWaalsContact C-N 3.31Å; R285-A287 PolarHBondContact O-N 2.7Å; R285-Q288 WeakPolarHBondContact O-CB 3.38Å; R285-Q288 PolarHBondContact O-N 3.06Å; R285-D289 IonicContact CZ-OD2 2.79Å; R285-D289 IonicContact NE-OD1 3.97Å; R285-D289 PolarHBondContact NE-OD1 3.36Å; R285-D289 IonicContact NE-OD2 3.66Å; R285-D289 PolarHBondContact NE-OD2 3.21Å; R285-D289 IonicContact NH2-OD1 2.63Å; R285-D289 IonicContact NH2-OD2 2.79Å; R285-D289 PolarHBondContact O-N 3.16Å
286L94.9Very high94.3Very high3 Ų350.1 Ų50.12%0.01628%0.28CS..Hα-helixtrans-56.5-46175.6-70.7175.5000111.2L8 V221 L225 L282 R283 Q288 D289 G290 V291 L293L8-L286 HydrophobicContact CD2-CD1 4.01Å; L8-L286 HydrophobicContact CD2-CD2 4.01Å; V221-L286 HydrophobicContact CG1-CD2 4.28Å; L225-L286 HydrophobicContact CD1-CD2 3.71Å; L282-L286 HydrophobicContact CD1-CD1 4.17Å; L282-L286 HydrophobicContact CD1-CG 4.15Å; L282-L286 HydrophobicContact CG-CD1 4Å; L282-L286 HydrophobicContact CG-CG 4.36Å; L282-L286 WeakPolarHBondContact O-CG 3.47Å; L282-L286 PolarHBondContact O-N 3.3Å; R283-L286 PolarHBondContact O-N 3.09Å; L286-Q288 PolarHBondContact O-N 2.94Å; L286-D289 PolarHBondContact O-N 3.4Å; L286-G290 PolarHBondContact O-N 2.97Å; L286-V291 HydrophobicContact CB-CB 4.08Å; L286-V291 HydrophobicContact CB-CG1 4.47Å; L286-V291 HydrophobicContact CD2-CB 4.19Å; L286-V291 HydrophobicContact CD2-CG1 4.13Å; L286-V291 HydrophobicContact CD2-CG2 4.26Å; L286-V291 WeakPolarHBondContact O-CA 3.39Å; L286-V291 VanDerWaalsContact O-CB 3.27Å; L286-V291 WeakPolarHBondContact O-CB 3.45Å; L286-V291 PolarHBondContact O-N 2.86Å; L286-L293 HydrophobicContact CD1-CD2 4.18Å
287A93.7Very high93.5Very high69 Ų6952.7 Ų52.757%0.5729%0.293SS*.Hα-helixtrans-62.3-42.4177.400000112.5R283 T284 R285 D289 G290R283-A287 WeakPolarHBondContact O-CB 3.49Å; R283-A287 PolarHBondContact O-N 3.26Å; T284-A287 PolarHBondContact O-N 3.33Å; R285-A287 VanDerWaalsContact C-N 3.31Å; R285-A287 PolarHBondContact O-N 2.7Å; A287-D289 VanDerWaalsContact C-N 3.28Å; A287-D289 PolarHBondContact O-N 2.62Å; A287-G290 PolarHBondContact O-N 2.76Å; A287-G290 VanDerWaalsContact O-N 3.09Å
288Q93.8Very high92.6Very high142 Ų14255.9 Ų55.966%0.66431%0.311SS*.Hα-helixtrans-61.7-36175.4-73.7170.1-14.800112.5T284 R285 L286 G290T284-Q288 VanDerWaalsContact O-CG 3.28Å; T284-Q288 WeakPolarHBondContact O-CG 3.44Å; T284-Q288 PolarHBondContact O-N 2.9Å; R285-Q288 WeakPolarHBondContact O-CB 3.38Å; R285-Q288 PolarHBondContact O-N 3.06Å; L286-Q288 PolarHBondContact O-N 2.94Å; Q288-G290 PolarHBondContact O-N 3.49Å
289D92Very high91.7Very high51 Ų5154.9 Ų54.927%0.27330%0.303SS..THydrogen-bonded Turntrans-79.62.9178.1-66.9-22.9000112.6S222 R285 L286 A287 V291S222-D289 VanDerWaalsContact CB-OD2 3.25Å; S222-D289 WeakPolarHBondContact CB-OD2 3.39Å; S222-D289 PolarHBondContact OG-OD2 2.97Å; R285-D289 IonicContact CZ-OD2 2.79Å; R285-D289 IonicContact NE-OD1 3.97Å; R285-D289 PolarHBondContact NE-OD1 3.36Å; R285-D289 IonicContact NE-OD2 3.66Å; R285-D289 PolarHBondContact NE-OD2 3.21Å; R285-D289 IonicContact NH2-OD1 2.63Å; R285-D289 IonicContact NH2-OD2 2.79Å; R285-D289 PolarHBondContact O-N 3.16Å; L286-D289 PolarHBondContact O-N 3.4Å; A287-D289 VanDerWaalsContact C-N 3.28Å; A287-D289 PolarHBondContact O-N 2.62Å; D289-V291 VanDerWaalsContact C-N 3.33Å; D289-V291 HydrophobicContact CB-CG2 4.17Å
290G93.1Very high90.1Very high27 Ų2755.6 Ų55.628%0.27830%0.304SS..THydrogen-bonded Turntrans7326.2-179.700000113.2R5 V6 L286 A287 Q288R5-G290 PolarHBondContact N-O 2.95Å; V6-G290 PolarHBondContact N-O 3.48Å; L286-G290 PolarHBondContact O-N 2.97Å; A287-G290 PolarHBondContact O-N 2.76Å; A287-G290 VanDerWaalsContact O-N 3.09Å; Q288-G290 PolarHBondContact O-N 3.49Å
291V95.1Very high88Confident13 Ų1355.3 Ų55.38%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-93.2128.2175.9-175.30000109.3V6 L8 L225 L286 D289V6-V291 HydrophobicContact CB-CB 4.44Å; V6-V291 HydrophobicContact CB-CG1 4.11Å; V6-V291 HydrophobicContact CB-CG2 4.12Å; V6-V291 HydrophobicContact CG1-CG1 4.23Å; V6-V291 HydrophobicContact CG2-CG2 4.46Å; V6-V291 WeakPolarHBondContact O-CA 3.31Å; L8-V291 HydrophobicContact CB-CG1 3.5Å; L8-V291 VanDerWaalsContact CB-CG1 3.5Å; L8-V291 HydrophobicContact CD2-CG1 3.96Å; L8-V291 HydrophobicContact CG-CG1 4.36Å; L225-V291 HydrophobicContact CD1-CG1 4.44Å; L225-V291 HydrophobicContact CD1-CG2 4.12Å; L286-V291 HydrophobicContact CB-CB 4.08Å; L286-V291 HydrophobicContact CB-CG1 4.47Å; L286-V291 HydrophobicContact CD2-CB 4.19Å; L286-V291 HydrophobicContact CD2-CG1 4.13Å; L286-V291 HydrophobicContact CD2-CG2 4.26Å; L286-V291 WeakPolarHBondContact O-CA 3.39Å; L286-V291 VanDerWaalsContact O-CB 3.27Å; L286-V291 WeakPolarHBondContact O-CB 3.45Å; L286-V291 PolarHBondContact O-N 2.86Å; D289-V291 VanDerWaalsContact C-N 3.33Å; D289-V291 HydrophobicContact CB-CG2 4.17Å
292Q95.4Very high85.3Confident100 Ų10057.2 Ų57.247%0.46730%0.304SS..EExtended strand (participates in β ladder)trans-109.6125.1175.4178.5178.80.400109.6P4 V6 R7 L8P4-Q292 HydrophobicContact CB-CB 3.73Å; P4-Q292 HydrophobicContact CG-CB 4.27Å; V6-Q292 PolarHBondContact O-N 3.13Å; R7-Q292 CarbonylContact C-O 3.58Å; R7-Q292 VanDerWaalsContact CA-O 3.31Å; R7-Q292 WeakPolarHBondContact CA-O 3.41Å; L8-Q292 PolarHBondContact N-O 3.43Å
293L95.9Very high82.9Confident44 Ų4463.5 Ų63.523%0.2333%0.328CS..EExtended strand (participates in β ladder)trans-69141.5171.4-64.3174.5000110.8L8 V10 G32 T35 L286L8-L293 HydrophobicContact CB-CD2 4.25Å; L8-L293 HydrophobicContact CD2-CD2 3.99Å; L8-L293 HydrophobicContact CG-CD2 4.22Å; L8-L293 CarbonylContact O-C 3.58Å; L8-L293 VanDerWaalsContact O-CA 3.31Å; L8-L293 WeakPolarHBondContact O-CA 3.45Å; V10-L293 HydrophobicContact CG2-CD2 3.67Å; G32-L293 VanDerWaalsContact O-CD1 3.24Å; G32-L293 WeakPolarHBondContact O-CD1 3.45Å; T35-L293 HydrophobicContact CG2-CB 4.01Å; T35-L293 HydrophobicContact CG2-CD2 4.5Å; L286-L293 HydrophobicContact CD1-CD2 4.18Å
294C94.7Very high80.1Confident6 Ų664.2 Ų64.24%0.04135%0.349CS..  trans-152.2162175.162.80000111.9L8 T35 D298L8-C294 PolarHBondContact O-N 3.43Å; T35-C294 WeakPolarHBondContact CB-O 3.28Å; T35-C294 PolarHBondContact OG1-O 2.91Å; C294-D298 HydrophobicContact CB-CB 4.14Å
295A88.8Confident77.5Confident18 Ų1864.2 Ų64.215%0.14936%0.363CS..  trans-77.2157.816800000111P59 D297 D298P59-A295 HydrophobicContact CG-CB 4.21Å; A295-D297 PolarHBondContact O-N 3.16Å; A295-D298 PolarHBondContact N-OD2 3.5Å; A295-D298 WeakPolarHBondContact O-CB 3.25Å; A295-D298 PolarHBondContact O-N 3.43Å; A295-D298 VanDerWaalsContact O-N 3.14Å
296L85.9Confident74.6Confident10 Ų1065.8 Ų65.85%0.05237%0.374CS..SBendtrans-57.3-39.4171.1-96.5147.7000111.7V9 H130 F158 D298 L299V9-L296 HydrophobicContact CB-CG 4.47Å; V9-L296 HydrophobicContact CG1-CD1 3.87Å; V9-L296 HydrophobicContact CG1-CG 3.88Å; V9-L296 HydrophobicContact CG2-CG 4.01Å; H130-L296 HydrophobicContact CB-CD1 3.98Å; F158-L296 HydrophobicContact CB-CD2 4.33Å; F158-L296 HydrophobicContact CD1-CD2 4Å; F158-L296 HydrophobicContact CG-CD2 4.19Å; L296-D298 PolarHBondContact O-N 2.94Å; L296-L299 HydrophobicContact CD2-CD1 4.43Å; L296-L299 WeakPolarHBondContact O-CA 3.39Å; L296-L299 WeakPolarHBondContact O-CB 3.17Å; L296-L299 PolarHBondContact O-N 2.86Å
297D80.3Confident71.5Confident72 Ų7274.4 Ų74.439%0.38541%0.414SS..Hα-helixtrans-63.6-27.4178.6-61.3-10.9000112.3T129 A295 L299 D300 S301T129-D297 WeakPolarHBondContact CB-OD1 3.35Å; T129-D297 WeakPolarHBondContact CG2-OD1 3.26Å; A295-D297 PolarHBondContact O-N 3.16Å; D297-L299 PolarHBondContact O-N 3.05Å; D297-D300 PolarHBondContact O-N 2.98Å; D297-D300 VanDerWaalsContact O-N 3.13Å; D297-S301 PolarHBondContact O-N 2.98Å; D297-S301 PolarHBondContact O-OG 3.17Å
298D80.2Confident68.8Low69 Ų6977.1 Ų77.137%0.36942%0.424SS..Hα-helixtrans-71.2-17.7174.3-55.8-37.3000112.3R7 C294 A295 L296 S301R7-D298 VanDerWaalsContact CZ-O 3.29Å; R7-D298 PolarHBondContact NH1-O 3.35Å; R7-D298 PolarHBondContact NH2-O 2.9Å; C294-D298 HydrophobicContact CB-CB 4.14Å; A295-D298 PolarHBondContact N-OD2 3.5Å; A295-D298 WeakPolarHBondContact O-CB 3.25Å; A295-D298 PolarHBondContact O-N 3.43Å; A295-D298 VanDerWaalsContact O-N 3.14Å; L296-D298 PolarHBondContact O-N 2.94Å; D298-S301 WeakPolarHBondContact CA-OG 3.46Å
299L77.3Confident65.8Low24 Ų2475.8 Ų75.813%0.12643%0.427CS..Hα-helixtrans-79.7-27.2172.8-52.1-174.9000110.9R7 V9 F158 T203 T239 L296 D297R7-L299 HydrophobicContact CB-CD2 4.2Å; V9-L299 HydrophobicContact CG2-CD1 3.89Å; V9-L299 HydrophobicContact CG2-CG 4.47Å; F158-L299 HydrophobicContact CZ-CB 4.47Å; T203-L299 HydrophobicContact CG2-CD1 3.92Å; T239-L299 HydrophobicContact CG2-CD1 4.14Å; T239-L299 HydrophobicContact CG2-CD2 3.69Å; T239-L299 HydrophobicContact CG2-CG 4.46Å; L296-L299 HydrophobicContact CD2-CD1 4.43Å; L296-L299 WeakPolarHBondContact O-CA 3.39Å; L296-L299 WeakPolarHBondContact O-CB 3.17Å; L296-L299 PolarHBondContact O-N 2.86Å; D297-L299 PolarHBondContact O-N 3.05Å
300D62.9Low63Low41 Ų4179 Ų7922%0.21945%0.452CS..Hα-helixtrans-80.5-33.5178.8-149.43000112.7R157 F158 R201 D297 K302R157-D300 IonicContact CZ-OD2 3.73Å; R157-D300 IonicContact NE-OD2 3.23Å; R157-D300 IonicContact NH2-OD1 3.66Å; R157-D300 IonicContact NH2-OD2 3.54Å; R157-D300 PolarHBondContact NH2-OD2 2.89Å; F158-D300 HydrophobicContact CE2-CB 3.9Å; F158-D300 HydrophobicContact CZ-CB 4.45Å; R201-D300 IonicContact CZ-OD1 2.67Å; R201-D300 IonicContact NH1-OD1 3.63Å; R201-D300 PolarHBondContact NH1-OD1 2.97Å; R201-D300 IonicContact NH2-OD1 3.6Å; R201-D300 PolarHBondContact NH2-OD1 2.95Å; R201-D300 IonicContact NH2-OD2 3.17Å; R201-D300 PolarHBondContact NH2-OD2 2.95Å; D297-D300 PolarHBondContact O-N 2.98Å; D297-D300 VanDerWaalsContact O-N 3.13Å; D300-K302 VanDerWaalsContact C-N 3.25Å; D300-K302 PolarHBondContact O-N 3.11Å
301S49.7Very low60.2Low90 Ų9086.8 Ų86.863%0.62948%0.482SS*.SBendtrans-76.51.1-175.5400000115.3D297 D298 R303D297-S301 PolarHBondContact O-N 2.98Å; D297-S301 PolarHBondContact O-OG 3.17Å; D298-S301 WeakPolarHBondContact CA-OG 3.46Å; S301-R303 PolarHBondContact O-N 3.45Å
302K39.1Very low57.3Low132 Ų13290.2 Ų90.257%0.57451%0.511SS*.  trans-95.277.8171.9-72.4-167-177.2174.20111.6R7 D300R7-K302 VanDerWaalsContact NH1-CD 3.34Å; R7-K302 VanDerWaalsContact NH1-CE 3.28Å; D300-K302 VanDerWaalsContact C-N 3.25Å; D300-K302 PolarHBondContact O-N 3.11Å
303R44.2Very low54.4Low133 Ų13391.3 Ų91.350%0.50253%0.525SS..  trans-100.2122.9152.8-68-167.2-167.9-179.221.1110S301 E306S301-R303 PolarHBondContact O-N 3.45Å; R303-E306 WeakPolarHBondContact CD-OE2 3.3Å; R303-E306 IonicContact CZ-OE1 2.68Å; R303-E306 IonicContact CZ-OE2 2.86Å; R303-E306 IonicContact NE-OE1 3.71Å; R303-E306 IonicContact NE-OE2 3.72Å; R303-E306 PolarHBondContact NE-OE2 3.35Å; R303-E306 IonicContact NH1-OE1 3.9Å; R303-E306 PolarHBondContact NH1-OE1 2.81Å; R303-E306 IonicContact NH1-OE2 3.38Å; R303-E306 IonicContact NH2-OE1 2.94Å; R303-E306 PolarHBondContact NH2-OE1 3.29Å; R303-E306 IonicContact NH2-OE2 3.92Å
304P35.6Very low51.3Low139 Ų13997.7 Ų97.790%0.90356%0.558SS**SBendtrans-75.5104.8138.1134.3000106.7
305G39.6Very low48.4Very low72 Ų72105.6 Ų105.674%0.74259%0.594SS**SBendtrans145.9-3.9174.100000117.6
306E33.9Very low46Very low127 Ų127110.1 Ų110.159%0.59362%0.622SS**  trans-109.558.3167.1-82.7-178.6160.700109.7R303 V308R303-E306 WeakPolarHBondContact CD-OE2 3.3Å; R303-E306 IonicContact CZ-OE1 2.68Å; R303-E306 IonicContact CZ-OE2 2.86Å; R303-E306 IonicContact NE-OE1 3.71Å; R303-E306 IonicContact NE-OE2 3.72Å; R303-E306 PolarHBondContact NE-OE2 3.35Å; R303-E306 IonicContact NH1-OE1 3.9Å; R303-E306 PolarHBondContact NH1-OE1 2.81Å; R303-E306 IonicContact NH1-OE2 3.38Å; R303-E306 IonicContact NH2-OE1 2.94Å; R303-E306 PolarHBondContact NH2-OE1 3.29Å; R303-E306 IonicContact NH2-OE2 3.92Å; E306-V308 PolarHBondContact O-N 3.07Å
307E31.1Very low43.5Very low183 Ų183119.8 Ų119.886%0.85566%0.664SS**  trans-80.1106.2150-77.5-178.9-178.800106
308V35.5Very low41.6Very low126 Ų126124 Ų12476%0.76469%0.686SS**  trans-55.1123.7160.6179.40000106E306 C310E306-V308 PolarHBondContact O-N 3.07Å; V308-C310 PolarHBondContact O-N 3.33Å
309P32.4Very low39.8Very low115 Ų115129.5 Ų129.575%0.74771%0.709SS**  trans-60.9111.2172.4-13.927.1000106.5E311P309-E311 PolarHBondContact O-N 3.43Å
310C32.3Very low38.4Very low117 Ų117134.2 Ų134.279%0.79174%0.742SS**  trans-53.5122.3164.6-173.40000106.4V308 A312V308-C310 PolarHBondContact O-N 3.33Å; C310-A312 VanDerWaalsContact C-N 3.26Å; C310-A312 PolarHBondContact O-N 2.87Å
311E34Very low37.5Very low192 Ų192137.6 Ų137.690%0.89777%0.768SS**  trans-55.494171.4-86.5179.1145.400108.7P309 T313P309-E311 PolarHBondContact O-N 3.43Å; E311-T313 PolarHBondContact O-N 2.93Å; E311-T313 VanDerWaalsContact O-N 3.16Å
312A33.5Very low37.3Very low84 Ų84141.1 Ų141.169%0.69478%0.779SS**  trans-75.299.3164.100000106.9C310 L314C310-A312 VanDerWaalsContact C-N 3.26Å; C310-A312 PolarHBondContact O-N 2.87Å; A312-L314 PolarHBondContact O-N 3.4Å
313T34.5Very low37.3Very low123 Ų123146.6 Ų146.676%0.75581%0.813SS**  trans17.7100142.947.30000115.3E311 E315E311-T313 PolarHBondContact O-N 2.93Å; E311-T313 VanDerWaalsContact O-N 3.16Å; T313-E315 PolarHBondContact O-N 3.48Å; T313-E315 VanDerWaalsContact O-N 3.13Å
314L32.3Very low37Very low179 Ų179147.3 Ų147.394%0.93783%0.829SS**  trans-68.498.8157.4-75.9163.6000108.3A312A312-L314 PolarHBondContact O-N 3.4Å
315E33.5Very low37Very low171 Ų171147.7 Ų147.780%0.79983%0.825SS**  trans-85.8139.3154.8-76.3-154.8159.300109.7T313T313-E315 PolarHBondContact O-N 3.48Å; T313-E315 VanDerWaalsContact O-N 3.13Å
316P37.4Very low36.9Very low113 Ų113151.9 Ų151.973%0.73483%0.83SS**  trans-81.6128.6-177.232.4-31.5000110.5L318P316-L318 PolarHBondContact O-N 2.89Å; P316-L318 VanDerWaalsContact O-N 3.09Å
317F33.8Very low37.1Very low213 Ų213153.4 Ų153.493%0.93484%0.844SS**  trans-65.9108.2165.6-86.2-90.6000109.4
318L39.8Very low37.4Very low160 Ų160151.5 Ų151.584%0.83884%0.843SS**PPolyproline II helixtrans-71.7122.8159.1-78.6159.5000108.5P316P316-L318 PolarHBondContact O-N 2.89Å; P316-L318 VanDerWaalsContact O-N 3.09Å
319E42.6Very low37.6Very low185 Ų185153.2 Ų153.286%0.86485%0.848SS**PPolyproline II helixtrans-66.7139.2167.3-70.4-171.6155.100110.7
320P48.4Very low37.9Very low124 Ų124155.9 Ų155.981%0.80586%0.855SS**PPolyproline II helixtrans-87.4123.1161.115.90000110
321S43.7Very low38.4Very low111 Ų111158.9 Ų158.978%0.77686%0.86SS**PPolyproline II helixtrans-58.4138.9160.5-47.40000110.7
322L45.2Very low38.7Very low165 Ų165156.2 Ų156.286%0.86486%0.857SS**  trans166.3100131.2-88.4158.7000111.1
323L39.9Very low39.2Very low246 Ų246162.7 Ų162.7100%1.28887%0.872SS**  178.30112.5-93.8167.2000110.2

Retrieved 323 of 323 residues in 110.1 ms (Link to these results)

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