A0A3Q0KNN5_SCHMA Loading...

Guanyl-nucleotide exchange factor, putative AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KNN5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 435 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
1M60.4Low83Confident184 Ų184104.2 Ų104.291%0.90652%0.522SS*.  0105.30-84.9-176.6-173.400107.8E5 L6M1-E5 WeakPolarHBondContact CA-OE2 3.46Å; M1-L6 HydrophobicContact SD-CD2 4.19Å
2D75.8Confident83.8Confident103 Ų103106 Ų10655%0.55153%0.528SS*.  trans-65.4151.8165.2-159.5-8.8000108.8D4 E5D2-D4 PolarHBondContact O-N 3.33Å; D2-D4 VanDerWaalsContact O-N 3.11Å; D2-E5 HydrophobicContact CB-CG 4.17Å; D2-E5 PolarHBondContact N-OE2 3.03Å; D2-E5 WeakPolarHBondContact O-CB 3.31Å; D2-E5 PolarHBondContact O-N 3.09Å
3Y76.1Confident84.5Confident95 Ų95111.8 Ų111.837%0.37354%0.54SS..G310 helixtrans-57.3-29.7-179.8178.7-99.8000111.6E5 L6 K11 L14Y3-E5 VanDerWaalsContact C-N 3.3Å; Y3-E5 PolarHBondContact O-N 2.91Å; Y3-L6 HydrophobicContact CD2-CD1 3.92Å; Y3-L6 HydrophobicContact CE2-CD1 4.41Å; Y3-L6 PolarHBondContact O-N 3.31Å; Y3-K11 HydrophobicContact CE1-CD 4.41Å; Y3-K11 HydrophobicContact CE2-CG 4.4Å; Y3-K11 WeakPolarHBondContact O-CE 3.45Å; Y3-L14 HydrophobicContact CD2-CD2 4.17Å; Y3-L14 HydrophobicContact CE2-CD2 4.04Å
4D79.9Confident85Confident123 Ų123107.6 Ų107.666%0.65852%0.521SS*.G310 helixtrans-73.8-19.5-179.4-66.6-28.3000113.6D2 L6D2-D4 PolarHBondContact O-N 3.33Å; D2-D4 VanDerWaalsContact O-N 3.11Å; D4-L6 VanDerWaalsContact C-N 3.33Å
5E86.7Confident85.4Confident136 Ų136106.1 Ų106.164%0.63652%0.516SS*.G310 helixtrans-81.8-8.9177.5-64175.5160.300113.4M1 D2 Y3M1-E5 WeakPolarHBondContact CA-OE2 3.46Å; D2-E5 HydrophobicContact CB-CG 4.17Å; D2-E5 PolarHBondContact N-OE2 3.03Å; D2-E5 WeakPolarHBondContact O-CB 3.31Å; D2-E5 PolarHBondContact O-N 3.09Å; Y3-E5 VanDerWaalsContact C-N 3.3Å; Y3-E5 PolarHBondContact O-N 2.91Å
6L83.1Confident85.9Confident34 Ų34106.8 Ų106.818%0.17852%0.516CS..SBendtrans-75.3138.4-179-66.3164000111.3M1 Y3 D4 E10 K11 L14M1-L6 HydrophobicContact SD-CD2 4.19Å; Y3-L6 HydrophobicContact CD2-CD1 3.92Å; Y3-L6 HydrophobicContact CE2-CD1 4.41Å; Y3-L6 PolarHBondContact O-N 3.31Å; D4-L6 VanDerWaalsContact C-N 3.33Å; L6-E10 HydrophobicContact CB-CB 4.13Å; L6-E10 HydrophobicContact CD2-CB 3.92Å; L6-K11 HydrophobicContact CB-CD 4.43Å; L6-K11 HydrophobicContact CB-CG 3.7Å; L6-K11 HydrophobicContact CD1-CG 4.37Å; L6-K11 VanDerWaalsContact O-CE 3.25Å; L6-K11 WeakPolarHBondContact O-CE 3.42Å; L6-L14 HydrophobicContact CD1-CD2 4.03Å
7T89.9Confident86.4Confident77 Ų77105.9 Ų105.947%0.47251%0.514SS..  trans-61.8159.4168.561.40000111E9 E10 K11T7-E9 PolarHBondContact O-N 2.98Å; T7-E10 PolarHBondContact N-OE2 3.42Å; T7-E10 PolarHBondContact O-N 3.24Å; T7-E10 VanDerWaalsContact O-N 3.16Å; T7-E10 WeakPolarHBondContact OG1-CB 3.33Å; T7-E10 VanDerWaalsContact OG1-CD 3.29Å; T7-E10 WeakPolarHBondContact OG1-CG 3.4Å; T7-E10 PolarHBondContact OG1-N 2.61Å; T7-E10 PolarHBondContact OG1-OE2 3.14Å; T7-K11 WeakPolarHBondContact O-CG 3.29Å; T7-K11 PolarHBondContact O-N 3.04Å
8V89.5Confident86.8Confident108 Ų108107.3 Ų107.366%0.65551%0.512SS*.Hα-helixtrans-56.5-42.7177.6178.50000110.9E10 K11 E12V8-E10 PolarHBondContact O-N 3.21Å; V8-K11 PolarHBondContact O-N 3.45Å; V8-E12 WeakPolarHBondContact O-CG 3.44Å; V8-E12 PolarHBondContact O-N 3.22Å
9E91.3Very high87.1Confident155 Ų155108.7 Ų108.772%0.72452%0.519SS*.Hα-helixtrans-63-41.6177.4-170.4179.8175.600112.3T7 E12 R13T7-E9 PolarHBondContact O-N 2.98Å; E9-E12 PolarHBondContact O-N 3.1Å; E9-R13 WeakPolarHBondContact O-CB 3.14Å; E9-R13 PolarHBondContact O-N 2.73Å
10E90.7Very high87.5Confident77 Ų77108.5 Ų108.536%0.3652%0.517SS..Hα-helixtrans-66.8-37.4175.2-73.2168.5137.300112.4L6 T7 V8 R13 L14L6-E10 HydrophobicContact CB-CB 4.13Å; L6-E10 HydrophobicContact CD2-CB 3.92Å; T7-E10 PolarHBondContact N-OE2 3.42Å; T7-E10 PolarHBondContact O-N 3.24Å; T7-E10 VanDerWaalsContact O-N 3.16Å; T7-E10 WeakPolarHBondContact OG1-CB 3.33Å; T7-E10 VanDerWaalsContact OG1-CD 3.29Å; T7-E10 WeakPolarHBondContact OG1-CG 3.4Å; T7-E10 PolarHBondContact OG1-N 2.61Å; T7-E10 PolarHBondContact OG1-OE2 3.14Å; V8-E10 PolarHBondContact O-N 3.21Å; E10-R13 PolarHBondContact O-N 2.84Å; E10-L14 VanDerWaalsContact O-CB 3.25Å; E10-L14 WeakPolarHBondContact O-CB 3.25Å; E10-L14 PolarHBondContact O-N 3.21Å
11K90.2Very high87.8Confident54 Ų54110.3 Ų110.324%0.23552%0.523CS..Hα-helixtrans-63.7-43.8174.8-72.3179.1-179.8174.70111.1Y3 L6 T7 V8 L14 L15Y3-K11 HydrophobicContact CE1-CD 4.41Å; Y3-K11 HydrophobicContact CE2-CG 4.4Å; Y3-K11 WeakPolarHBondContact O-CE 3.45Å; L6-K11 HydrophobicContact CB-CD 4.43Å; L6-K11 HydrophobicContact CB-CG 3.7Å; L6-K11 HydrophobicContact CD1-CG 4.37Å; L6-K11 VanDerWaalsContact O-CE 3.25Å; L6-K11 WeakPolarHBondContact O-CE 3.42Å; T7-K11 WeakPolarHBondContact O-CG 3.29Å; T7-K11 PolarHBondContact O-N 3.04Å; V8-K11 PolarHBondContact O-N 3.45Å; K11-L14 PolarHBondContact O-N 3.3Å; K11-L15 WeakPolarHBondContact O-CG 3.5Å; K11-L15 PolarHBondContact O-N 2.97Å
12E92.5Very high89.4Confident126 Ų126105.3 Ų105.359%0.58950%0.502SS*.Hα-helixtrans-63.7-45.2175.2-73.4-179.6171.500111.8V8 E9 L14 L15 F16V8-E12 WeakPolarHBondContact O-CG 3.44Å; V8-E12 PolarHBondContact O-N 3.22Å; E9-E12 PolarHBondContact O-N 3.1Å; E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 2.89Å; E12-L15 PolarHBondContact O-N 3.28Å; E12-F16 PolarHBondContact O-N 3.48Å
13R91.8Very high90.2Very high181 Ų181105.1 Ų105.168%0.68350%0.498SS*.Hα-helixtrans-61.9-40176.1-168.4173.6-174.8-178.82.1112E9 E10 F16 I17E9-R13 WeakPolarHBondContact O-CB 3.14Å; E9-R13 PolarHBondContact O-N 2.73Å; E10-R13 PolarHBondContact O-N 2.84Å; R13-F16 PolarHBondContact O-N 2.99Å; R13-I17 HydrophobicContact CG-CD1 4.24Å; R13-I17 VanDerWaalsContact O-CG1 3.29Å; R13-I17 WeakPolarHBondContact O-CG1 3.33Å; R13-I17 PolarHBondContact O-N 3.07Å
14L91.5Very high91.1Very high53 Ų53104.3 Ų104.328%0.27750%0.503SS..Hα-helixtrans-65.5-41.2176-178.163.1000111.8Y3 L6 E10 K11 E12 I17 R18Y3-L14 HydrophobicContact CD2-CD2 4.17Å; Y3-L14 HydrophobicContact CE2-CD2 4.04Å; L6-L14 HydrophobicContact CD1-CD2 4.03Å; E10-L14 VanDerWaalsContact O-CB 3.25Å; E10-L14 WeakPolarHBondContact O-CB 3.25Å; E10-L14 PolarHBondContact O-N 3.21Å; K11-L14 PolarHBondContact O-N 3.3Å; E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 2.89Å; L14-I17 PolarHBondContact O-N 2.6Å; L14-R18 WeakPolarHBondContact O-CB 3.32Å; L14-R18 VanDerWaalsContact O-CG 3.31Å; L14-R18 WeakPolarHBondContact O-CG 3.48Å; L14-R18 PolarHBondContact O-N 3.21Å
15L91.7Very high91.5Very high85 Ų85103 Ų10345%0.44549%0.494SS..Hα-helixtrans-61.4-44.4174.1-75.3169.4000111.2K11 E12 R18 Q19K11-L15 WeakPolarHBondContact O-CG 3.5Å; K11-L15 PolarHBondContact O-N 2.97Å; E12-L15 PolarHBondContact O-N 3.28Å; L15-R18 PolarHBondContact O-N 2.98Å; L15-Q19 WeakPolarHBondContact O-CG 3.31Å; L15-Q19 PolarHBondContact O-N 3.06Å
16F93.9Very high91.7Very high117 Ų117102.5 Ų102.551%0.51349%0.49SS..Hα-helixtrans-60.8-45.3176.1-178.1-110.5000112.4E12 R13 R18 Q19 Q20E12-F16 PolarHBondContact O-N 3.48Å; R13-F16 PolarHBondContact O-N 2.99Å; F16-R18 VanDerWaalsContact C-N 3.34Å; F16-R18 PolarHBondContact O-N 3.01Å; F16-Q19 PolarHBondContact O-N 3.42Å; F16-Q20 HydrophobicContact CE1-CG 4.47Å; F16-Q20 HydrophobicContact CZ-CG 4.44Å; F16-Q20 PolarHBondContact O-N 2.93Å
17I94Very high92.2Very high93 Ų93104.8 Ų104.848%0.47750%0.502SS..Hα-helixtrans-62.1-40.8175.4-68.6166.5000111.2R13 L14 Q20 K21R13-I17 HydrophobicContact CG-CD1 4.24Å; R13-I17 VanDerWaalsContact O-CG1 3.29Å; R13-I17 WeakPolarHBondContact O-CG1 3.33Å; R13-I17 PolarHBondContact O-N 3.07Å; L14-I17 PolarHBondContact O-N 2.6Å; I17-Q20 PolarHBondContact O-N 3.18Å; I17-K21 WeakPolarHBondContact O-CB 3.45Å; I17-K21 PolarHBondContact O-N 3.41Å
18R92.8Very high92.2Very high130 Ų130104.3 Ų104.349%0.49150%0.496SS..Hα-helixtrans-64.1-39.7176.7-75.7175177.9177.20.8112L14 L15 F16 T22L14-R18 WeakPolarHBondContact O-CB 3.32Å; L14-R18 VanDerWaalsContact O-CG 3.31Å; L14-R18 WeakPolarHBondContact O-CG 3.48Å; L14-R18 PolarHBondContact O-N 3.21Å; L15-R18 PolarHBondContact O-N 2.98Å; F16-R18 VanDerWaalsContact C-N 3.34Å; F16-R18 PolarHBondContact O-N 3.01Å; R18-T22 WeakPolarHBondContact O-CB 3.43Å; R18-T22 PolarHBondContact O-N 3.33Å; R18-T22 PolarHBondContact O-OG1 3.35Å
19Q94Very high92Very high135 Ų135104.6 Ų104.663%0.63149%0.491SS*.Hα-helixtrans-64.5-48.1174.4-73176.8-0.800111.3L15 F16 K21 T22 Q23L15-Q19 WeakPolarHBondContact O-CG 3.31Å; L15-Q19 PolarHBondContact O-N 3.06Å; F16-Q19 PolarHBondContact O-N 3.42Å; Q19-K21 PolarHBondContact O-N 3.3Å; Q19-T22 WeakPolarHBondContact O-CB 3.24Å; Q19-T22 PolarHBondContact O-N 2.96Å; Q19-T22 VanDerWaalsContact O-N 3.15Å; Q19-Q23 PolarHBondContact O-N 3.02Å
20Q94.6Very high92Very high104 Ų10499.9 Ų99.949%0.48648%0.475SS..Hα-helixtrans-58.9-45.5175.6-74.9-159.929.900112.3F16 I17 T22 Q23 V24F16-Q20 HydrophobicContact CE1-CG 4.47Å; F16-Q20 HydrophobicContact CZ-CG 4.44Å; F16-Q20 PolarHBondContact O-N 2.93Å; I17-Q20 PolarHBondContact O-N 3.18Å; Q20-T22 VanDerWaalsContact C-N 3.27Å; Q20-T22 PolarHBondContact O-N 3.4Å; Q20-Q23 PolarHBondContact O-N 3.35Å; Q20-Q23 VanDerWaalsContact O-N 3.14Å; Q20-V24 WeakPolarHBondContact O-CG2 3.25Å; Q20-V24 PolarHBondContact O-N 3.33Å
21K93.7Very high92Very high146 Ų146101 Ų10164%0.63548%0.482SS*.Hα-helixtrans-57.3-43175.9-178.8-178.9176.6-179.50111.3I17 Q19 V24 M25I17-K21 WeakPolarHBondContact O-CB 3.45Å; I17-K21 PolarHBondContact O-N 3.41Å; Q19-K21 PolarHBondContact O-N 3.3Å; K21-V24 PolarHBondContact O-N 3.39Å; K21-M25 WeakPolarHBondContact O-CB 3.37Å; K21-M25 VanDerWaalsContact O-CG 3.27Å; K21-M25 WeakPolarHBondContact O-CG 3.32Å; K21-M25 PolarHBondContact O-N 2.93Å
22T92.9Very high91.6Very high79 Ų79104.3 Ų104.349%0.48550%0.497SS..Hα-helixtrans-63.9-41.8177.8-55.70000111.1R18 Q19 Q20 M25 K26R18-T22 WeakPolarHBondContact O-CB 3.43Å; R18-T22 PolarHBondContact O-N 3.33Å; R18-T22 PolarHBondContact O-OG1 3.35Å; Q19-T22 WeakPolarHBondContact O-CB 3.24Å; Q19-T22 PolarHBondContact O-N 2.96Å; Q19-T22 VanDerWaalsContact O-N 3.15Å; Q20-T22 VanDerWaalsContact C-N 3.27Å; Q20-T22 PolarHBondContact O-N 3.4Å; T22-M25 PolarHBondContact O-N 2.8Å; T22-K26 WeakPolarHBondContact O-CG 3.2Å; T22-K26 PolarHBondContact O-N 3.11Å; T22-K26 VanDerWaalsContact O-N 3.07Å
23Q93.6Very high91Very high99 Ų99104.1 Ų104.146%0.46350%0.499SS..Hα-helixtrans-65.9-44.1177-171.858.542.600112.3Q19 Q20 M25 K26 N27Q19-Q23 PolarHBondContact O-N 3.02Å; Q20-Q23 PolarHBondContact O-N 3.35Å; Q20-Q23 VanDerWaalsContact O-N 3.14Å; Q23-M25 VanDerWaalsContact C-N 3.32Å; Q23-M25 PolarHBondContact O-N 3.49Å; Q23-K26 PolarHBondContact O-N 2.97Å; Q23-N27 PolarHBondContact NE2-OD1 3.43Å; Q23-N27 VanDerWaalsContact O-CG 3.32Å; Q23-N27 PolarHBondContact O-N 2.75Å; Q23-N27 PolarHBondContact O-OD1 2.92Å
24V94.2Very high90.8Very high79 Ų79100.1 Ų100.148%0.47949%0.488SS..Hα-helixtrans-61.4-41.5176.3171.10000111.1Q20 K21 K26 N27 I28Q20-V24 WeakPolarHBondContact O-CG2 3.25Å; Q20-V24 PolarHBondContact O-N 3.33Å; K21-V24 PolarHBondContact O-N 3.39Å; V24-K26 PolarHBondContact O-N 2.99Å; V24-N27 PolarHBondContact O-N 3.07Å; V24-I28 HydrophobicContact CG1-CD1 3.87Å; V24-I28 HydrophobicContact CG1-CG1 4.43Å; V24-I28 VanDerWaalsContact O-CG1 3.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.39Å; V24-I28 PolarHBondContact O-N 3.38Å
25M89.5Confident90.2Very high94 Ų94102.8 Ų102.846%0.46350%0.502SS..Hα-helixtrans-62.1-42.7175.9-73.8-64-60.700112.3K21 T22 Q23 I28 E29K21-M25 WeakPolarHBondContact O-CB 3.37Å; K21-M25 VanDerWaalsContact O-CG 3.27Å; K21-M25 WeakPolarHBondContact O-CG 3.32Å; K21-M25 PolarHBondContact O-N 2.93Å; T22-M25 PolarHBondContact O-N 2.8Å; Q23-M25 VanDerWaalsContact C-N 3.32Å; Q23-M25 PolarHBondContact O-N 3.49Å; M25-I28 PolarHBondContact O-N 3.4Å; M25-E29 WeakPolarHBondContact O-CG 3.5Å; M25-E29 PolarHBondContact O-N 3.16Å
26K91Very high89.4Confident126 Ų126103.9 Ų103.955%0.54851%0.509SS..Hα-helixtrans-61.2-43.4173.8-73.2179.5178.7-1780112T22 Q23 V24 I28 E29 S30T22-K26 WeakPolarHBondContact O-CG 3.2Å; T22-K26 PolarHBondContact O-N 3.11Å; T22-K26 VanDerWaalsContact O-N 3.07Å; Q23-K26 PolarHBondContact O-N 2.97Å; V24-K26 PolarHBondContact O-N 2.99Å; K26-I28 PolarHBondContact O-N 2.85Å; K26-E29 PolarHBondContact O-N 3.19Å; K26-S30 PolarHBondContact O-N 2.99Å
27N92.9Very high88.6Confident82 Ų82102.7 Ų102.744%0.43951%0.508SS..Hα-helixtrans-63.1-41.7177.4-67.92.9000111.5Q23 V24 E29 S30 L31Q23-N27 PolarHBondContact NE2-OD1 3.43Å; Q23-N27 VanDerWaalsContact O-CG 3.32Å; Q23-N27 PolarHBondContact O-N 2.75Å; Q23-N27 PolarHBondContact O-OD1 2.92Å; V24-N27 PolarHBondContact O-N 3.07Å; N27-E29 VanDerWaalsContact C-N 3.31Å; N27-E29 PolarHBondContact O-N 2.91Å; N27-S30 PolarHBondContact O-N 2.94Å; N27-L31 WeakPolarHBondContact O-CG 3.41Å; N27-L31 PolarHBondContact O-N 2.69Å
28I89.9Confident87.8Confident67 Ų67102.3 Ų102.334%0.34451%0.506SS..Hα-helixtrans-62-39.3175.2-70.7167.6000111.2V24 M25 K26 K32V24-I28 HydrophobicContact CG1-CD1 3.87Å; V24-I28 HydrophobicContact CG1-CG1 4.43Å; V24-I28 VanDerWaalsContact O-CG1 3.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.39Å; V24-I28 PolarHBondContact O-N 3.38Å; M25-I28 PolarHBondContact O-N 3.4Å; K26-I28 PolarHBondContact O-N 2.85Å; I28-K32 HydrophobicContact CG2-CD 4.17Å; I28-K32 WeakPolarHBondContact O-CB 3.4Å; I28-K32 VanDerWaalsContact O-CG 3.27Å; I28-K32 WeakPolarHBondContact O-CG 3.42Å; I28-K32 PolarHBondContact O-N 3.4Å
29E86.3Confident86.7Confident115 Ų11598 Ų9854%0.53749%0.494SS..Hα-helixtrans-66.6-43.1176.5-75.3177.9172.900112.1M25 K26 N27 K32 L33M25-E29 WeakPolarHBondContact O-CG 3.5Å; M25-E29 PolarHBondContact O-N 3.16Å; K26-E29 PolarHBondContact O-N 3.19Å; N27-E29 VanDerWaalsContact C-N 3.31Å; N27-E29 PolarHBondContact O-N 2.91Å; E29-K32 PolarHBondContact O-N 3.5Å; E29-L33 WeakPolarHBondContact O-CG 3.33Å; E29-L33 PolarHBondContact O-N 3.15Å; E29-L33 VanDerWaalsContact O-N 3.09Å
30S90.2Very high85.5Confident56 Ų5694 Ų9439%0.39248%0.48SS..Hα-helixtrans-58.8-50.8174.2-164.60000111.6K26 N27 K32 L33 E34K26-S30 PolarHBondContact O-N 2.99Å; N27-S30 PolarHBondContact O-N 2.94Å; S30-K32 VanDerWaalsContact C-N 3.26Å; S30-K32 PolarHBondContact O-N 3.4Å; S30-L33 WeakPolarHBondContact O-CB 3.2Å; S30-L33 PolarHBondContact O-N 3.4Å; S30-E34 PolarHBondContact O-N 2.82Å; S30-E34 PolarHBondContact OG-OE1 3.42Å
31L89.9Confident84.5Confident99 Ų9994 Ų9452%0.51848%0.481SS..Hα-helixtrans-61.4-33.8179.5-72.1172000112.5N27 L35N27-L31 WeakPolarHBondContact O-CG 3.41Å; N27-L31 PolarHBondContact O-N 2.69Å; L31-L35 WeakPolarHBondContact O-CB 3.4Å; L31-L35 VanDerWaalsContact O-CG 3.28Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 3.49Å
32K82.1Confident83.3Confident124 Ų12489.9 Ų89.954%0.53947%0.465SS..Hα-helixtrans-67.5-37.5174-79.3173.3178.8174.30112.4I28 E29 S30 N36I28-K32 HydrophobicContact CG2-CD 4.17Å; I28-K32 WeakPolarHBondContact O-CB 3.4Å; I28-K32 VanDerWaalsContact O-CG 3.27Å; I28-K32 WeakPolarHBondContact O-CG 3.42Å; I28-K32 PolarHBondContact O-N 3.4Å; E29-K32 PolarHBondContact O-N 3.5Å; S30-K32 VanDerWaalsContact C-N 3.26Å; S30-K32 PolarHBondContact O-N 3.4Å; K32-N36 WeakPolarHBondContact O-CB 3.46Å; K32-N36 PolarHBondContact O-N 3.47Å; K32-N36 PolarHBondContact O-ND2 3.47Å; K32-N36 VanDerWaalsContact O-ND2 3.1Å
33L81.3Confident81.9Confident123 Ų12388.8 Ų88.864%0.64445%0.454SS*.Hα-helixtrans-67.6-45.8176.2-69.9172000110.7E29 S30 N36 D37E29-L33 WeakPolarHBondContact O-CG 3.33Å; E29-L33 PolarHBondContact O-N 3.15Å; E29-L33 VanDerWaalsContact O-N 3.09Å; S30-L33 WeakPolarHBondContact O-CB 3.2Å; S30-L33 PolarHBondContact O-N 3.4Å; L33-N36 PolarHBondContact O-N 3.38Å; L33-D37 PolarHBondContact O-N 2.92Å
34E87.3Confident80.5Confident97 Ų9790.1 Ų90.145%0.45347%0.465SS..Hα-helixtrans-60-46.7175.7-72.2168.4-140.200111.9S30 N36 D37 I38S30-E34 PolarHBondContact O-N 2.82Å; S30-E34 PolarHBondContact OG-OE1 3.42Å; E34-N36 VanDerWaalsContact C-N 3.33Å; E34-N36 PolarHBondContact O-N 3.46Å; E34-D37 PolarHBondContact O-N 3.34Å; E34-I38 WeakPolarHBondContact O-CG1 3.5Å; E34-I38 PolarHBondContact O-N 3.08Å
35L78.9Confident79.2Confident109 Ų10992.7 Ų92.757%0.57148%0.475SS*.Hα-helixtrans-61.4-40176.1-78172000112.4L31 T39L31-L35 WeakPolarHBondContact O-CB 3.4Å; L31-L35 VanDerWaalsContact O-CG 3.28Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 3.49Å; L35-T39 VanDerWaalsContact O-CB 3.23Å; L35-T39 WeakPolarHBondContact O-CB 3.28Å; L35-T39 PolarHBondContact O-N 3.24Å; L35-T39 PolarHBondContact O-OG1 3.11Å
36N74.3Confident77.5Confident108 Ų10889.4 Ų89.458%0.57847%0.465SS*.Hα-helixtrans-65.9-39.8176.7-76.2-28.5000111.9K32 L33 E34 T39 S40K32-N36 WeakPolarHBondContact O-CB 3.46Å; K32-N36 PolarHBondContact O-N 3.47Å; K32-N36 PolarHBondContact O-ND2 3.47Å; K32-N36 VanDerWaalsContact O-ND2 3.1Å; L33-N36 PolarHBondContact O-N 3.38Å; E34-N36 VanDerWaalsContact C-N 3.33Å; E34-N36 PolarHBondContact O-N 3.46Å; N36-T39 PolarHBondContact O-N 3.28Å; N36-S40 WeakPolarHBondContact O-CB 3.4Å; N36-S40 PolarHBondContact O-N 3.46Å
37D77.3Confident76Confident92 Ų9289.2 Ų89.249%0.49247%0.465SS..Hα-helixtrans-65.2-50.4177.8-174.165.5000110.9L33 E34 T39 S40 Q41L33-D37 PolarHBondContact O-N 2.92Å; E34-D37 PolarHBondContact O-N 3.34Å; D37-T39 VanDerWaalsContact C-N 3.32Å; D37-T39 PolarHBondContact O-N 2.93Å; D37-S40 CarbonylContact O-C 3.59Å; D37-S40 WeakPolarHBondContact O-CB 3.46Å; D37-S40 PolarHBondContact O-N 3.42Å; D37-S40 VanDerWaalsContact O-N 3.09Å; D37-Q41 WeakPolarHBondContact O-CG 2.93Å; D37-Q41 PolarHBondContact O-N 3.46Å; D37-Q41 PolarHBondContact OD2-NE2 2.87Å
38I77.2Confident74.2Confident84 Ų8486.8 Ų86.843%0.43145%0.454SS..Hα-helixtrans-58.6-44.2175.7-66.6167.4000110.8E34 S40 Q41 I42E34-I38 WeakPolarHBondContact O-CG1 3.5Å; E34-I38 PolarHBondContact O-N 3.08Å; I38-S40 VanDerWaalsContact C-N 3.31Å; I38-S40 PolarHBondContact O-N 3.25Å; I38-Q41 PolarHBondContact O-N 3.18Å; I38-I42 HydrophobicContact CG2-CD1 3.7Å; I38-I42 HydrophobicContact CG2-CG1 4.28Å; I38-I42 WeakPolarHBondContact O-CB 3.49Å; I38-I42 VanDerWaalsContact O-CG1 3.26Å; I38-I42 WeakPolarHBondContact O-CG1 3.44Å; I38-I42 PolarHBondContact O-N 3.18Å
39T70.7Confident72.5Confident40 Ų4087.9 Ų87.925%0.24546%0.464CS..Hα-helixtrans-61.6-42.3177-56.90000110.6L35 N36 D37 Q41 I42 E43 V49L35-T39 VanDerWaalsContact O-CB 3.23Å; L35-T39 WeakPolarHBondContact O-CB 3.28Å; L35-T39 PolarHBondContact O-N 3.24Å; L35-T39 PolarHBondContact O-OG1 3.11Å; N36-T39 PolarHBondContact O-N 3.28Å; D37-T39 VanDerWaalsContact C-N 3.32Å; D37-T39 PolarHBondContact O-N 2.93Å; T39-Q41 VanDerWaalsContact C-N 3.34Å; T39-Q41 PolarHBondContact O-N 3.09Å; T39-I42 PolarHBondContact O-N 3Å; T39-E43 HydrophobicContact CG2-CG 4.24Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.37Å; T39-E43 VanDerWaalsContact O-CB 3.26Å; T39-E43 WeakPolarHBondContact O-CB 3.46Å; T39-E43 WeakPolarHBondContact O-CG 3.36Å; T39-E43 PolarHBondContact O-N 2.88Å; T39-V49 HydrophobicContact CG2-CG2 4.01Å
40S67.1Low71Confident50 Ų5087.7 Ų87.735%0.3547%0.466SS..Hα-helixtrans-63.7-38.1175.5-170.40000112.4N36 D37 I38 N44N36-S40 WeakPolarHBondContact O-CB 3.4Å; N36-S40 PolarHBondContact O-N 3.46Å; D37-S40 CarbonylContact O-C 3.59Å; D37-S40 WeakPolarHBondContact O-CB 3.46Å; D37-S40 PolarHBondContact O-N 3.42Å; D37-S40 VanDerWaalsContact O-N 3.09Å; I38-S40 VanDerWaalsContact C-N 3.31Å; I38-S40 PolarHBondContact O-N 3.25Å; S40-N44 WeakPolarHBondContact O-CB 3.39Å; S40-N44 PolarHBondContact O-N 2.91Å; S40-N44 PolarHBondContact O-ND2 3.4Å; S40-N44 VanDerWaalsContact O-ND2 3.16Å
41Q74.6Confident69.3Low105 Ų10589.2 Ų89.249%0.49149%0.491SS..Hα-helixtrans-66.4-45.6176.7-69-177.647.800111.5D37 I38 T39 E43 N44 L45D37-Q41 WeakPolarHBondContact O-CG 2.93Å; D37-Q41 PolarHBondContact O-N 3.46Å; D37-Q41 PolarHBondContact OD2-NE2 2.87Å; I38-Q41 PolarHBondContact O-N 3.18Å; T39-Q41 VanDerWaalsContact C-N 3.34Å; T39-Q41 PolarHBondContact O-N 3.09Å; Q41-E43 VanDerWaalsContact C-N 3.35Å; Q41-N44 PolarHBondContact O-N 2.86Å; Q41-L45 WeakPolarHBondContact O-CG 3.39Å; Q41-L45 PolarHBondContact O-N 3.36Å; Q41-L45 VanDerWaalsContact O-N 3.08Å
42I68.6Low67.7Low59 Ų5987.2 Ų87.230%0.30348%0.479SS..Hα-helixtrans-60.8-45.5176.2-70174.8000110.3I38 T39 N44 L45 G46 F47 V49I38-I42 HydrophobicContact CG2-CD1 3.7Å; I38-I42 HydrophobicContact CG2-CG1 4.28Å; I38-I42 WeakPolarHBondContact O-CB 3.49Å; I38-I42 VanDerWaalsContact O-CG1 3.26Å; I38-I42 WeakPolarHBondContact O-CG1 3.44Å; I38-I42 PolarHBondContact O-N 3.18Å; T39-I42 PolarHBondContact O-N 3Å; I42-N44 PolarHBondContact O-N 3.15Å; I42-L45 CarbonylContact O-C 3.58Å; I42-L45 PolarHBondContact O-N 2.84Å; I42-L45 VanDerWaalsContact O-N 3.12Å; I42-G46 PolarHBondContact O-N 2.95Å; I42-F47 CarbonylContact C-O 3.24Å; I42-F47 VanDerWaalsContact C-O 3.24Å; I42-F47 HydrophobicContact CG2-CB 3.44Å; I42-F47 VanDerWaalsContact CG2-CB 3.44Å; I42-F47 PolarHBondContact O-N 3.22Å; I42-V49 HydrophobicContact CG2-CG2 4.32Å
43E62.8Low66.9Low56 Ų5685.7 Ų85.726%0.26248%0.477SS..Hα-helixtrans-61.3-40.8175.8-73.7176177.700112.4T39 Q41 L45 G46 F47 R298T39-E43 HydrophobicContact CG2-CG 4.24Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.37Å; T39-E43 VanDerWaalsContact O-CB 3.26Å; T39-E43 WeakPolarHBondContact O-CB 3.46Å; T39-E43 WeakPolarHBondContact O-CG 3.36Å; T39-E43 PolarHBondContact O-N 2.88Å; Q41-E43 VanDerWaalsContact C-N 3.35Å; E43-L45 PolarHBondContact O-N 2.7Å; E43-G46 PolarHBondContact O-N 2.68Å; E43-F47 WeakPolarHBondContact CA-O 3.47Å; E43-F47 PolarHBondContact N-O 2.99Å; E43-R298 IonicContact OE1-CZ 3.71Å; E43-R298 IonicContact OE1-NH1 2.84Å; E43-R298 PolarHBondContact OE1-NH1 3.36Å; E43-R298 IonicContact OE1-NH2 3.74Å; E43-R298 PolarHBondContact OE1-NH2 3.04Å; E43-R298 IonicContact OE2-CZ 3.77Å; E43-R298 IonicContact OE2-NH1 2.74Å; E43-R298 IonicContact OE2-NH2 3.31Å; E43-R298 PolarHBondContact OE2-NH2 3.46Å
44N63.6Low66.4Low128 Ų12882.3 Ų82.368%0.68446%0.462SS*.Hα-helixtrans-66.3-26.4175.4-72.6-21.3000113S40 Q41 I42 G46S40-N44 WeakPolarHBondContact O-CB 3.39Å; S40-N44 PolarHBondContact O-N 2.91Å; S40-N44 PolarHBondContact O-ND2 3.4Å; S40-N44 VanDerWaalsContact O-ND2 3.16Å; Q41-N44 PolarHBondContact O-N 2.86Å; I42-N44 PolarHBondContact O-N 3.15Å; N44-G46 VanDerWaalsContact C-N 3.27Å
45L67.3Low65.9Low133 Ų13380 Ų8070%0.69646%0.457SS*.THydrogen-bonded Turntrans-84.73173.5-67.2170.3000113.1Q41 I42 E43 F47Q41-L45 WeakPolarHBondContact O-CG 3.39Å; Q41-L45 PolarHBondContact O-N 3.36Å; Q41-L45 VanDerWaalsContact O-N 3.08Å; I42-L45 CarbonylContact O-C 3.58Å; I42-L45 PolarHBondContact O-N 2.84Å; I42-L45 VanDerWaalsContact O-N 3.12Å; E43-L45 PolarHBondContact O-N 2.7Å; L45-F47 HydrophobicContact CB-CD2 3.83Å; L45-F47 HydrophobicContact CB-CE2 4.17Å; L45-F47 WeakPolarHBondContact O-CD2 3.26Å
46G55.1Low65.9Low25 Ų2579.1 Ų79.126%0.25846%0.455SS..THydrogen-bonded Turntrans83.79178.500000114.6I42 E43 N44 R57I42-G46 PolarHBondContact O-N 2.95Å; E43-G46 PolarHBondContact O-N 2.68Å; N44-G46 VanDerWaalsContact C-N 3.27Å; G46-R57 PolarHBondContact O-NH1 3.23Å
47F58.1Low65.7Low122 Ų12275.5 Ų75.554%0.53543%0.434SS..  trans-97.3144.4172.2-59.5-81.8000109.2I42 E43 L45I42-F47 CarbonylContact C-O 3.24Å; I42-F47 VanDerWaalsContact C-O 3.24Å; I42-F47 HydrophobicContact CG2-CB 3.44Å; I42-F47 VanDerWaalsContact CG2-CB 3.44Å; I42-F47 PolarHBondContact O-N 3.22Å; E43-F47 WeakPolarHBondContact CA-O 3.47Å; E43-F47 PolarHBondContact N-O 2.99Å; L45-F47 HydrophobicContact CB-CD2 3.83Å; L45-F47 HydrophobicContact CB-CE2 4.17Å; L45-F47 WeakPolarHBondContact O-CD2 3.26Å
48S55Low66.1Low30 Ų3075.3 Ų75.321%0.2143%0.426CS..  trans-129.2143174.9112.40000106.5D50 R57S48-D50 PolarHBondContact O-N 3.11Å; S48-D50 PolarHBondContact OG-N 3.11Å; S48-R57 VanDerWaalsContact N-CZ 3.3Å
49V56Low66.6Low91 Ų9173.2 Ų73.255%0.55242%0.416SS*.SBendtrans-77.5-12.9-176.3-169.50000110.4T39 I42T39-V49 HydrophobicContact CG2-CG2 4.01Å; I42-V49 HydrophobicContact CG2-CG2 4.32Å
50D54.1Low67.2Low111 Ų11173.6 Ų73.659%0.59442%0.423SS*.SBendtrans-111.373.7-169.6-69.6-30.2000111.6S48 E52S48-D50 PolarHBondContact O-N 3.11Å; S48-D50 PolarHBondContact OG-N 3.11Å; D50-E52 PolarHBondContact O-N 2.83Å
51G55.2Low68Low88 Ų8875.3 Ų75.391%0.90742%0.424SS*.SBendtrans51.9-4.815700000121
52E55.9Low68.7Low57 Ų5770.3 Ų70.327%0.26640%0.401SS..  trans-77.1132.6-177.9-82.6174.8-167.100109.1D50 P54 R57D50-E52 PolarHBondContact O-N 2.83Å; E52-P54 WeakPolarHBondContact O-CD 3.36Å; E52-P54 VanDerWaalsContact O-N 3.1Å; E52-R57 HydrophobicContact CB-CG 4.48Å; E52-R57 PolarHBondContact O-NE 3.31Å; E52-R57 PolarHBondContact O-NH2 2.94Å; E52-R57 VanDerWaalsContact OE2-CD 3.31Å; E52-R57 WeakPolarHBondContact OE2-CD 3.46Å; E52-R57 IonicContact OE2-NE 3.88Å
53D65.1Low69.6Low91 Ų9167.6 Ų67.649%0.48739%0.387SS..  trans-51.4118.9177.8-175.5-8.7000109.5S55 V56D53-S55 PolarHBondContact O-N 3.13Å; D53-S55 WeakPolarHBondContact OD1-CB 3.28Å; D53-S55 PolarHBondContact OD1-N 2.91Å; D53-S55 PolarHBondContact OD1-OG 3.42Å; D53-S55 VanDerWaalsContact OD1-OG 3.1Å; D53-S55 PolarHBondContact OD2-OG 3.03Å; D53-V56 HydrophobicContact CB-CG2 4.23Å; D53-V56 PolarHBondContact O-N 3.4Å; D53-V56 VanDerWaalsContact O-N 3.12Å
54P70.4Confident70.5Confident53 Ų5371.2 Ų71.234%0.34440%0.402SS..Hα-helixtrans-49.2-29.8175-27.834.5000113.3E52 R58E52-P54 WeakPolarHBondContact O-CD 3.36Å; E52-P54 VanDerWaalsContact O-N 3.1Å; P54-R58 WeakPolarHBondContact O-CG 3.46Å; P54-R58 PolarHBondContact O-N 3.37Å; P54-R58 VanDerWaalsContact O-N 3.09Å
55S77.6Confident71.5Confident49 Ų4966.5 Ų66.534%0.34338%0.376SS..Hα-helixtrans-60.5-47.9178.576.50000112.6D53 R57 R58 L59D53-S55 PolarHBondContact O-N 3.13Å; D53-S55 WeakPolarHBondContact OD1-CB 3.28Å; D53-S55 PolarHBondContact OD1-N 2.91Å; D53-S55 PolarHBondContact OD1-OG 3.42Å; D53-S55 VanDerWaalsContact OD1-OG 3.1Å; D53-S55 PolarHBondContact OD2-OG 3.03Å; S55-R57 VanDerWaalsContact C-N 3.34Å; S55-R57 PolarHBondContact O-N 3.11Å; S55-R58 PolarHBondContact O-N 2.95Å; S55-L59 PolarHBondContact O-N 3.48Å
56V78.6Confident72.7Confident89 Ų8960.1 Ų60.154%0.53934%0.343SS..Hα-helixtrans-65.3-39.2-177.6177.90000110.9D53 L59 A60D53-V56 HydrophobicContact CB-CG2 4.23Å; D53-V56 PolarHBondContact O-N 3.4Å; D53-V56 VanDerWaalsContact O-N 3.12Å; V56-L59 PolarHBondContact O-N 3.16Å; V56-A60 WeakPolarHBondContact O-CB 3.19Å; V56-A60 PolarHBondContact O-N 3.36Å
57R70.5Confident74.2Confident33 Ų3360.7 Ų60.713%0.12534%0.34CS..Hα-helixtrans-70.7-41.5-179.8-72.8-175.4-78.7113.7-5.9112.2G46 S48 E52 S55 L59 A60 F61G46-R57 PolarHBondContact O-NH1 3.23Å; S48-R57 VanDerWaalsContact N-CZ 3.3Å; E52-R57 HydrophobicContact CB-CG 4.48Å; E52-R57 PolarHBondContact O-NE 3.31Å; E52-R57 PolarHBondContact O-NH2 2.94Å; E52-R57 VanDerWaalsContact OE2-CD 3.31Å; E52-R57 WeakPolarHBondContact OE2-CD 3.46Å; E52-R57 IonicContact OE2-NE 3.88Å; S55-R57 VanDerWaalsContact C-N 3.34Å; S55-R57 PolarHBondContact O-N 3.11Å; R57-L59 VanDerWaalsContact C-N 3.32Å; R57-A60 PolarHBondContact O-N 3.04Å; R57-F61 WeakPolarHBondContact O-CB 3.42Å; R57-F61 PolarHBondContact O-N 3.38Å
58R84.5Confident75.4Confident87 Ų8764.1 Ų64.133%0.32835%0.349SS..Hα-helixtrans-61.8-42.5172.6-68.7-172.5-65.1-130.61.5110.6P54 S55 F61 G62 Y76 I82P54-R58 WeakPolarHBondContact O-CG 3.46Å; P54-R58 PolarHBondContact O-N 3.37Å; P54-R58 VanDerWaalsContact O-N 3.09Å; S55-R58 PolarHBondContact O-N 2.95Å; R58-F61 PolarHBondContact O-N 3.5Å; R58-G62 PolarHBondContact O-N 2.89Å; R58-Y76 HydrophobicContact CB-CE1 4.45Å; R58-Y76 VanDerWaalsContact O-CE1 3.31Å; R58-Y76 WeakPolarHBondContact O-CE1 3.27Å; R58-I82 HydrophobicContact CB-CD1 3.45Å; R58-I82 VanDerWaalsContact CB-CD1 3.45Å; R58-I82 HydrophobicContact CB-CG1 4.45Å
59L88.8Confident77.1Confident41 Ų4165.4 Ų65.422%0.21535%0.354CS..Hα-helixtrans-59.9-49.2176.1175.864.3000111.6S55 V56 R57 F61 G62 C63 L77 I82 F93 Q97S55-L59 PolarHBondContact O-N 3.48Å; V56-L59 PolarHBondContact O-N 3.16Å; R57-L59 VanDerWaalsContact C-N 3.32Å; L59-F61 VanDerWaalsContact C-N 3.32Å; L59-F61 PolarHBondContact O-N 3.5Å; L59-G62 PolarHBondContact O-N 2.8Å; L59-C63 PolarHBondContact O-N 3.37Å; L59-C63 PolarHBondContact O-SG 2.95Å; L59-C63 VanDerWaalsContact O-SG 3.34Å; L59-L77 HydrophobicContact CD1-CD2 4.33Å; L59-I82 HydrophobicContact CB-CG2 4.23Å; L59-I82 HydrophobicContact CD1-CG2 3.67Å; L59-F93 HydrophobicContact CD1-CD2 4.44Å; L59-F93 HydrophobicContact CD1-CE2 3.88Å; L59-Q97 HydrophobicContact CD1-CG 4.29Å
60A82Confident78.8Confident48 Ų4863.8 Ų63.840%0.39734%0.34SS..Hα-helixtrans-60.6-40.7178.600000112.5V56 R57 K64V56-A60 WeakPolarHBondContact O-CB 3.19Å; V56-A60 PolarHBondContact O-N 3.36Å; R57-A60 PolarHBondContact O-N 3.04Å; A60-K64 WeakPolarHBondContact O-CB 3.5Å; A60-K64 PolarHBondContact O-N 2.68Å
61F83.8Confident80.7Confident85 Ų8565.1 Ų65.137%0.37334%0.34SS..Hα-helixtrans-63.5-45.9173.8-176.9-88.8000111.5R57 R58 L59 C63 K64 E65 Y76R57-F61 WeakPolarHBondContact O-CB 3.42Å; R57-F61 PolarHBondContact O-N 3.38Å; R58-F61 PolarHBondContact O-N 3.5Å; L59-F61 VanDerWaalsContact C-N 3.32Å; L59-F61 PolarHBondContact O-N 3.5Å; F61-C63 PolarHBondContact O-N 2.8Å; F61-K64 WeakPolarHBondContact O-CB 3.46Å; F61-K64 PolarHBondContact O-N 2.75Å; F61-K64 VanDerWaalsContact O-N 3.12Å; F61-E65 HydrophobicContact CD1-CG 3.89Å; F61-E65 HydrophobicContact CE1-CG 3.4Å; F61-E65 HydrophobicContact CE2-CG 4.35Å; F61-E65 HydrophobicContact CZ-CG 3.66Å; F61-E65 PolarHBondContact O-N 3.09Å; F61-Y76 HydrophobicContact CB-CE1 4.41Å; F61-Y76 AromaticContact CD1-CD1 3.95Å; F61-Y76 HydrophobicContact CD1-CD1 3.95Å; F61-Y76 AromaticContact CD1-CD2 3.84Å; F61-Y76 HydrophobicContact CD1-CD2 3.84Å; F61-Y76 AromaticContact CD1-CE1 3.59Å; F61-Y76 HydrophobicContact CD1-CE1 3.59Å; F61-Y76 AromaticContact CD1-CE2 3.42Å; F61-Y76 HydrophobicContact CD1-CE2 3.42Å; F61-Y76 VanDerWaalsContact CD1-CE2 3.42Å; F61-Y76 HydrophobicContact CD1-CG 4.08Å; F61-Y76 AromaticContact CD1-CZ 3.28Å; F61-Y76 HydrophobicContact CE1-CD1 4.49Å; F61-Y76 AromaticContact CE1-CD2 3.65Å; F61-Y76 HydrophobicContact CE1-CD2 3.65Å; F61-Y76 HydrophobicContact CE1-CE1 4.39Å; F61-Y76 AromaticContact CE1-CE2 3.48Å; F61-Y76 HydrophobicContact CE1-CE2 3.48Å; F61-Y76 VanDerWaalsContact CE1-CE2 3.48Å; F61-Y76 HydrophobicContact CE1-CG 4.16Å; F61-Y76 AromaticContact CE1-CZ 3.89Å; F61-Y76 HydrophobicContact CG-CE1 4.46Å
62G88.7Confident82.4Confident0 Ų066.1 Ų66.10%032%0.322CS..Hα-helixtrans-60.8-42.2177.300000113.1R58 L59 K64 E65 F66R58-G62 PolarHBondContact O-N 2.89Å; L59-G62 PolarHBondContact O-N 2.8Å; G62-K64 VanDerWaalsContact C-N 3.33Å; G62-K64 PolarHBondContact O-N 3.48Å; G62-E65 PolarHBondContact O-N 3Å; G62-F66 WeakPolarHBondContact O-CB 3.48Å; G62-F66 PolarHBondContact O-N 3.35Å
63C88.4Confident84.1Confident3 Ų363.4 Ų63.42%0.0231%0.309CS..Hα-helixtrans-60.8-41.8172.4-67.10000111.9L59 F61 F66 N67 N100 L101L59-C63 PolarHBondContact O-N 3.37Å; L59-C63 PolarHBondContact O-SG 2.95Å; L59-C63 VanDerWaalsContact O-SG 3.34Å; F61-C63 PolarHBondContact O-N 2.8Å; C63-F66 PolarHBondContact O-N 2.99Å; C63-N67 PolarHBondContact O-N 3.5Å; C63-N67 PolarHBondContact O-ND2 3.28Å; C63-N67 PolarHBondContact O-OD1 3.23Å; C63-N100 HydrophobicContact CB-CB 4.2Å; C63-L101 HydrophobicContact CB-CD2 3.94Å
64K82.9Confident85.6Confident132 Ų13259.3 Ų59.357%0.57429%0.287SS*.Hα-helixtrans-65.2-44.6177.9-176.9-172.8174.3-168.20111.9A60 F61 G62 F66 N67 R68A60-K64 WeakPolarHBondContact O-CB 3.5Å; A60-K64 PolarHBondContact O-N 2.68Å; F61-K64 WeakPolarHBondContact O-CB 3.46Å; F61-K64 PolarHBondContact O-N 2.75Å; F61-K64 VanDerWaalsContact O-N 3.12Å; G62-K64 VanDerWaalsContact C-N 3.33Å; G62-K64 PolarHBondContact O-N 3.48Å; K64-F66 VanDerWaalsContact C-N 3.35Å; K64-N67 PolarHBondContact O-N 3.43Å; K64-R68 PolarHBondContact O-N 3.32Å
65E83.9Confident86.8Confident28 Ų2860.4 Ų60.413%0.13129%0.288CS..Hα-helixtrans-65.8-38.6176.2-70.9-53.6120.100111.1F61 G62 N67 R68 N69F61-E65 HydrophobicContact CD1-CG 3.89Å; F61-E65 HydrophobicContact CE1-CG 3.4Å; F61-E65 HydrophobicContact CE2-CG 4.35Å; F61-E65 HydrophobicContact CZ-CG 3.66Å; F61-E65 PolarHBondContact O-N 3.09Å; G62-E65 PolarHBondContact O-N 3Å; E65-N67 VanDerWaalsContact C-N 3.34Å; E65-N67 PolarHBondContact O-N 3.25Å; E65-R68 PolarHBondContact O-N 3.15Å; E65-R68 VanDerWaalsContact O-N 3.1Å; E65-N69 CarbonylContact O-C 3.56Å; E65-N69 PolarHBondContact O-N 3.09Å
66F92.7Very high87.5Confident0 Ų060.4 Ų60.40%028%0.28CS..Hα-helixtrans-58.7-45.2174.1178.9-91.4000112.1G62 C63 K64 R68 N69 Q70 L74 F94 L101 A105 V106 Y109G62-F66 WeakPolarHBondContact O-CB 3.48Å; G62-F66 PolarHBondContact O-N 3.35Å; C63-F66 PolarHBondContact O-N 2.99Å; K64-F66 VanDerWaalsContact C-N 3.35Å; F66-R68 PolarHBondContact O-N 3.42Å; F66-N69 CarbonylContact O-C 3.6Å; F66-N69 PolarHBondContact O-N 3.3Å; F66-Q70 HydrophobicContact CD2-CB 4.04Å; F66-Q70 HydrophobicContact CD2-CG 4.5Å; F66-Q70 WeakPolarHBondContact CD2-O 3.39Å; F66-Q70 HydrophobicContact CE1-CG 4.39Å; F66-Q70 HydrophobicContact CE2-CB 3.68Å; F66-Q70 HydrophobicContact CE2-CG 4.02Å; F66-Q70 HydrophobicContact CZ-CB 4.15Å; F66-Q70 HydrophobicContact CZ-CG 3.97Å; F66-Q70 WeakPolarHBondContact O-CA 3.31Å; F66-Q70 PolarHBondContact O-N 3.09Å; F66-L74 HydrophobicContact CD2-CD2 4.29Å; F66-L74 HydrophobicContact CD2-CG 3.9Å; F66-L74 HydrophobicContact CE2-CD1 4.17Å; F66-L74 HydrophobicContact CE2-CD2 4.39Å; F66-L74 HydrophobicContact CE2-CG 4Å; F66-F94 HydrophobicContact CD2-CE1 4.38Å; F66-F94 HydrophobicContact CE1-CE1 4.04Å; F66-F94 AromaticContact CE2-CE1 3.56Å; F66-F94 HydrophobicContact CE2-CE1 3.56Å; F66-F94 AromaticContact CE2-CZ 3.74Å; F66-F94 HydrophobicContact CE2-CZ 3.74Å; F66-F94 HydrophobicContact CZ-CD1 4.36Å; F66-F94 AromaticContact CZ-CE1 3.35Å; F66-F94 HydrophobicContact CZ-CE1 3.35Å; F66-F94 AromaticContact CZ-CZ 3.57Å; F66-F94 HydrophobicContact CZ-CZ 3.57Å; F66-L101 HydrophobicContact CB-CD2 4.29Å; F66-L101 HydrophobicContact CD1-CD2 3.63Å; F66-L101 HydrophobicContact CE1-CD2 4.31Å; F66-L101 HydrophobicContact CG-CD2 4.17Å; F66-A105 HydrophobicContact CD1-CB 4.26Å; F66-A105 HydrophobicContact CE1-CB 3.78Å; F66-V106 HydrophobicContact CE1-CG2 3.97Å; F66-V106 HydrophobicContact CZ-CG2 4.46Å; F66-Y109 HydrophobicContact CE2-CD2 4.46Å
67N87.1Confident88.3Confident36 Ų3656.2 Ų56.219%0.19326%0.255CS..Hα-helixtrans-63.9-24.5178.7-67.7-14.4000113C63 K64 E65 N100 L101 S102C63-N67 PolarHBondContact O-N 3.5Å; C63-N67 PolarHBondContact O-ND2 3.28Å; C63-N67 PolarHBondContact O-OD1 3.23Å; K64-N67 PolarHBondContact O-N 3.43Å; E65-N67 VanDerWaalsContact C-N 3.34Å; E65-N67 PolarHBondContact O-N 3.25Å; N67-N100 PolarHBondContact ND2-O 3.43Å; N67-L101 WeakPolarHBondContact OD1-CA 3.37Å; N67-S102 PolarHBondContact OD1-N 2.89Å
68R82.7Confident89.5Confident195 Ų19555.5 Ų55.574%0.73625%0.253SS*.Hα-helixtrans-87.6-44.9176.3-177.4-175.4179.6-168.7-0.4111.9K64 E65 F66K64-R68 PolarHBondContact O-N 3.32Å; E65-R68 PolarHBondContact O-N 3.15Å; E65-R68 VanDerWaalsContact O-N 3.1Å; F66-R68 PolarHBondContact O-N 3.42Å
69N89.7Confident90Very high57 Ų5756.3 Ų56.331%0.30526%0.264SS..  trans-151.7109-179.4-176.2-52.7000108.7E65 F66 K71 Q72 G73E65-N69 CarbonylContact O-C 3.56Å; E65-N69 PolarHBondContact O-N 3.09Å; F66-N69 CarbonylContact O-C 3.6Å; F66-N69 PolarHBondContact O-N 3.3Å; N69-K71 VanDerWaalsContact C-N 3.27Å; N69-K71 PolarHBondContact O-N 3.42Å; N69-K71 PolarHBondContact OD1-N 3.28Å; N69-Q72 HydrophobicContact CB-CB 4.11Å; N69-Q72 HydrophobicContact CB-CG 4.32Å; N69-Q72 PolarHBondContact O-N 3.37Å; N69-Q72 PolarHBondContact OD1-N 2.95Å; N69-G73 PolarHBondContact O-N 3.29Å
70Q92.4Very high90Very high56 Ų5657 Ų5726%0.26227%0.267SS..Hα-helixtrans-59.2-39.7-171.3-56.589-16.400112.1F66 L74 A105 Y109F66-Q70 HydrophobicContact CD2-CB 4.04Å; F66-Q70 HydrophobicContact CD2-CG 4.5Å; F66-Q70 WeakPolarHBondContact CD2-O 3.39Å; F66-Q70 HydrophobicContact CE1-CG 4.39Å; F66-Q70 HydrophobicContact CE2-CB 3.68Å; F66-Q70 HydrophobicContact CE2-CG 4.02Å; F66-Q70 HydrophobicContact CZ-CB 4.15Å; F66-Q70 HydrophobicContact CZ-CG 3.97Å; F66-Q70 WeakPolarHBondContact O-CA 3.31Å; F66-Q70 PolarHBondContact O-N 3.09Å; Q70-L74 WeakPolarHBondContact O-CG 3.11Å; Q70-L74 PolarHBondContact O-N 2.9Å; Q70-L74 VanDerWaalsContact O-N 3.1Å; Q70-A105 HydrophobicContact CG-CB 4.12Å; Q70-Y109 HydrophobicContact CB-CD2 3.72Å; Q70-Y109 HydrophobicContact CB-CE2 4.39Å; Q70-Y109 HydrophobicContact CG-CD2 4.37Å
71K92.9Very high90.4Very high139 Ų13961.7 Ų61.760%0.60429%0.286SS*.Hα-helixtrans-65.8-51.3179.4-174-177.7179.2-176.80111N69 G73 L74 E75N69-K71 VanDerWaalsContact C-N 3.27Å; N69-K71 PolarHBondContact O-N 3.42Å; N69-K71 PolarHBondContact OD1-N 3.28Å; K71-G73 VanDerWaalsContact C-N 3.33Å; K71-G73 PolarHBondContact O-N 3.21Å; K71-L74 PolarHBondContact O-N 3.22Å; K71-E75 WeakPolarHBondContact O-CG 3.45Å; K71-E75 PolarHBondContact O-N 2.55Å
72Q91.1Very high90.8Very high110 Ų11059.9 Ų59.951%0.51428%0.28SS..Hα-helixtrans-65-38-178.8-69.2179.7-9.100112.1N69 Y76N69-Q72 HydrophobicContact CB-CB 4.11Å; N69-Q72 HydrophobicContact CB-CG 4.32Å; N69-Q72 PolarHBondContact O-N 3.37Å; N69-Q72 PolarHBondContact OD1-N 2.95Å; Q72-Y76 WeakPolarHBondContact O-CB 3.46Å; Q72-Y76 PolarHBondContact O-N 2.93Å
73G92.9Very high91.1Very high0 Ų061 Ų610%029%0.285CS..Hα-helixtrans-61.7-47.2175.500000113.1N69 K71 Y76 L77N69-G73 PolarHBondContact O-N 3.29Å; K71-G73 VanDerWaalsContact C-N 3.33Å; K71-G73 PolarHBondContact O-N 3.21Å; G73-Y76 PolarHBondContact O-N 3.14Å; G73-L77 WeakPolarHBondContact O-CD1 3.44Å; G73-L77 WeakPolarHBondContact O-CG 3.47Å; G73-L77 PolarHBondContact O-N 2.89Å
74L96.2Very high91.4Very high4 Ų462.2 Ų62.22%0.02130%0.298CS..Hα-helixtrans-65.6-44.4177.4-74.5176.1000112.3F66 Q70 K71 Y76 L77 F78 I83 V90 Y109F66-L74 HydrophobicContact CD2-CD2 4.29Å; F66-L74 HydrophobicContact CD2-CG 3.9Å; F66-L74 HydrophobicContact CE2-CD1 4.17Å; F66-L74 HydrophobicContact CE2-CD2 4.39Å; F66-L74 HydrophobicContact CE2-CG 4Å; Q70-L74 WeakPolarHBondContact O-CG 3.11Å; Q70-L74 PolarHBondContact O-N 2.9Å; Q70-L74 VanDerWaalsContact O-N 3.1Å; K71-L74 PolarHBondContact O-N 3.22Å; L74-Y76 VanDerWaalsContact C-N 3.29Å; L74-Y76 PolarHBondContact O-N 3.24Å; L74-L77 HydrophobicContact CD2-CD1 4.28Å; L74-L77 PolarHBondContact O-N 3.34Å; L74-L77 VanDerWaalsContact O-N 3.08Å; L74-F78 HydrophobicContact CB-CD2 4.43Å; L74-F78 HydrophobicContact CB-CE2 3.81Å; L74-F78 HydrophobicContact CB-CZ 3.94Å; L74-F78 HydrophobicContact CD2-CZ 4.27Å; L74-F78 HydrophobicContact CG-CZ 4.48Å; L74-F78 WeakPolarHBondContact O-CD2 3.36Å; L74-F78 WeakPolarHBondContact O-CG 3.41Å; L74-F78 PolarHBondContact O-N 3.22Å; L74-I83 HydrophobicContact CD2-CD1 3.68Å; L74-V90 HydrophobicContact CD1-CG1 4.25Å; L74-V90 HydrophobicContact CD2-CG1 4.07Å; L74-V90 HydrophobicContact CD2-CG2 4.31Å; L74-Y109 HydrophobicContact CD1-CD2 4.35Å; L74-Y109 HydrophobicContact CD1-CE1 3.92Å; L74-Y109 HydrophobicContact CD1-CE2 3.51Å; L74-Y109 WeakPolarHBondContact CD1-OH 3.46Å
75E95.2Very high92Very high77 Ų7763 Ų6336%0.3630%0.298SS..Hα-helixtrans-57.3-43.5175.4-68.5-67.7176.300111.4K71 L77 F78 D79K71-E75 WeakPolarHBondContact O-CG 3.45Å; K71-E75 PolarHBondContact O-N 2.55Å; E75-L77 PolarHBondContact O-N 3.46Å; E75-F78 PolarHBondContact O-N 2.94Å; E75-D79 WeakPolarHBondContact O-CB 3.48Å; E75-D79 VanDerWaalsContact O-CG 3.24Å; E75-D79 PolarHBondContact O-N 3.15Å
76Y93.3Very high92.7Very high49 Ų4963.3 Ų63.319%0.19230%0.303CS..Hα-helixtrans-59.4-46174.2175.6-85.1000112.2R58 F61 Q72 G73 L74 F78 D79 N80 I82R58-Y76 HydrophobicContact CB-CE1 4.45Å; R58-Y76 VanDerWaalsContact O-CE1 3.31Å; R58-Y76 WeakPolarHBondContact O-CE1 3.27Å; F61-Y76 HydrophobicContact CB-CE1 4.41Å; F61-Y76 AromaticContact CD1-CD1 3.95Å; F61-Y76 HydrophobicContact CD1-CD1 3.95Å; F61-Y76 AromaticContact CD1-CD2 3.84Å; F61-Y76 HydrophobicContact CD1-CD2 3.84Å; F61-Y76 AromaticContact CD1-CE1 3.59Å; F61-Y76 HydrophobicContact CD1-CE1 3.59Å; F61-Y76 AromaticContact CD1-CE2 3.42Å; F61-Y76 HydrophobicContact CD1-CE2 3.42Å; F61-Y76 VanDerWaalsContact CD1-CE2 3.42Å; F61-Y76 HydrophobicContact CD1-CG 4.08Å; F61-Y76 AromaticContact CD1-CZ 3.28Å; F61-Y76 HydrophobicContact CE1-CD1 4.49Å; F61-Y76 AromaticContact CE1-CD2 3.65Å; F61-Y76 HydrophobicContact CE1-CD2 3.65Å; F61-Y76 HydrophobicContact CE1-CE1 4.39Å; F61-Y76 AromaticContact CE1-CE2 3.48Å; F61-Y76 HydrophobicContact CE1-CE2 3.48Å; F61-Y76 VanDerWaalsContact CE1-CE2 3.48Å; F61-Y76 HydrophobicContact CE1-CG 4.16Å; F61-Y76 AromaticContact CE1-CZ 3.89Å; F61-Y76 HydrophobicContact CG-CE1 4.46Å; Q72-Y76 WeakPolarHBondContact O-CB 3.46Å; Q72-Y76 PolarHBondContact O-N 2.93Å; G73-Y76 PolarHBondContact O-N 3.14Å; L74-Y76 VanDerWaalsContact C-N 3.29Å; L74-Y76 PolarHBondContact O-N 3.24Å; Y76-F78 VanDerWaalsContact C-N 3.31Å; Y76-F78 PolarHBondContact O-N 2.76Å; Y76-D79 PolarHBondContact O-N 3.21Å; Y76-N80 WeakPolarHBondContact CD2-ND2 3.48Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.4Å; Y76-N80 WeakPolarHBondContact O-CB 3.46Å; Y76-N80 PolarHBondContact O-N 3.41Å; Y76-N80 PolarHBondContact O-ND2 3.45Å; Y76-I82 HydrophobicContact CE1-CD1 4.2Å
77L94.8Very high92.9Very high0 Ų064.1 Ų64.10%031%0.308CS..Hα-helixtrans-63.8-38-179.8-69.7163.8000111.4L59 G73 L74 E75 N81 I82 I83 F93L59-L77 HydrophobicContact CD1-CD2 4.33Å; G73-L77 WeakPolarHBondContact O-CD1 3.44Å; G73-L77 WeakPolarHBondContact O-CG 3.47Å; G73-L77 PolarHBondContact O-N 2.89Å; L74-L77 HydrophobicContact CD2-CD1 4.28Å; L74-L77 PolarHBondContact O-N 3.34Å; L74-L77 VanDerWaalsContact O-N 3.08Å; E75-L77 PolarHBondContact O-N 3.46Å; L77-N81 PolarHBondContact O-N 3.22Å; L77-I82 HydrophobicContact CD2-CB 4.04Å; L77-I82 HydrophobicContact CD2-CD1 3.93Å; L77-I82 HydrophobicContact CD2-CG2 3.92Å; L77-I82 PolarHBondContact O-N 3.37Å; L77-I83 HydrophobicContact CB-CD1 3.75Å; L77-I83 HydrophobicContact CB-CG1 3.82Å; L77-I83 HydrophobicContact CD1-CD1 4.04Å; L77-I83 HydrophobicContact CG-CD1 4.5Å; L77-I83 PolarHBondContact O-N 3.21Å; L77-F93 HydrophobicContact CD1-CD1 4.48Å; L77-F93 HydrophobicContact CD1-CE1 3.73Å; L77-F93 HydrophobicContact CD1-CE2 3.86Å; L77-F93 HydrophobicContact CD1-CZ 3.36Å; L77-F93 HydrophobicContact CD2-CE2 4.35Å
78F96Very high93.4Very high19 Ų1968 Ų688%0.08333%0.325CS..Hα-helixtrans-68.2-49.8175.6-59.1-34000112L74 E75 Y76 N80 N81 I83 G84 R85 V90L74-F78 HydrophobicContact CB-CD2 4.43Å; L74-F78 HydrophobicContact CB-CE2 3.81Å; L74-F78 HydrophobicContact CB-CZ 3.94Å; L74-F78 HydrophobicContact CD2-CZ 4.27Å; L74-F78 HydrophobicContact CG-CZ 4.48Å; L74-F78 WeakPolarHBondContact O-CD2 3.36Å; L74-F78 WeakPolarHBondContact O-CG 3.41Å; L74-F78 PolarHBondContact O-N 3.22Å; E75-F78 PolarHBondContact O-N 2.94Å; Y76-F78 VanDerWaalsContact C-N 3.31Å; Y76-F78 PolarHBondContact O-N 2.76Å; F78-N80 PolarHBondContact O-N 3.32Å; F78-N81 PolarHBondContact O-N 3.09Å; F78-I83 HydrophobicContact CD1-CD1 3.93Å; F78-I83 HydrophobicContact CD1-CG1 3.51Å; F78-I83 HydrophobicContact CE1-CD1 3.53Å; F78-I83 HydrophobicContact CE1-CG1 3.55Å; F78-I83 HydrophobicContact CZ-CD1 4.43Å; F78-G84 WeakPolarHBondContact CD1-O 3.23Å; F78-G84 WeakPolarHBondContact CE1-O 3.39Å; F78-R85 HydrophobicContact CB-CG 3.84Å; F78-R85 HydrophobicContact CD1-CB 4.47Å; F78-R85 HydrophobicContact CD1-CG 3.78Å; F78-R85 HydrophobicContact CD2-CG 3.99Å; F78-R85 HydrophobicContact CE1-CG 4.31Å; F78-R85 HydrophobicContact CE2-CG 4.49Å; F78-R85 HydrophobicContact CG-CG 3.62Å; F78-V90 HydrophobicContact CE1-CG2 3.8Å; F78-V90 HydrophobicContact CZ-CG2 3.72Å
79D93.9Very high94.2Very high104 Ų10461.8 Ų61.856%0.55631%0.307SS*.Hα-helixtrans-65.6-28.2-176.4-71.6-13000112.3E75 Y76 N81 R85E75-D79 WeakPolarHBondContact O-CB 3.48Å; E75-D79 VanDerWaalsContact O-CG 3.24Å; E75-D79 PolarHBondContact O-N 3.15Å; Y76-D79 PolarHBondContact O-N 3.21Å; D79-N81 VanDerWaalsContact C-N 3.32Å; D79-R85 IonicContact OD1-NH2 2.77Å; D79-R85 PolarHBondContact OD1-NH2 2.84Å
80N89.2Confident94.6Very high54 Ų5459 Ų5929%0.28929%0.292SS..THydrogen-bonded Turntrans-89.67.2174.7-71.8-89.2000113.6Y76 F78 I82Y76-N80 WeakPolarHBondContact CD2-ND2 3.48Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.4Å; Y76-N80 WeakPolarHBondContact O-CB 3.46Å; Y76-N80 PolarHBondContact O-N 3.41Å; Y76-N80 PolarHBondContact O-ND2 3.45Å; F78-N80 PolarHBondContact O-N 3.32Å; N80-I82 HydrophobicContact CB-CD1 4Å; N80-I82 HydrophobicContact CB-CG1 3.94Å; N80-I82 PolarHBondContact O-N 3.42Å
81N91.8Very high94.8Very high147 Ų14756.4 Ų56.479%0.78628%0.28SS*.THydrogen-bonded Turntrans52.635.8-178.6-57.6-72.6000113.4L77 F78 D79L77-N81 PolarHBondContact O-N 3.22Å; F78-N81 PolarHBondContact O-N 3.09Å; D79-N81 VanDerWaalsContact C-N 3.32Å
82I91.7Very high95.1Very high48 Ų4854.9 Ų54.925%0.24627%0.273CS..SBendtrans-82.5-39.9177.8-59.4178.5000110.1R58 L59 Y76 L77 N80R58-I82 HydrophobicContact CB-CD1 3.45Å; R58-I82 VanDerWaalsContact CB-CD1 3.45Å; R58-I82 HydrophobicContact CB-CG1 4.45Å; L59-I82 HydrophobicContact CB-CG2 4.23Å; L59-I82 HydrophobicContact CD1-CG2 3.67Å; Y76-I82 HydrophobicContact CE1-CD1 4.2Å; L77-I82 HydrophobicContact CD2-CB 4.04Å; L77-I82 HydrophobicContact CD2-CD1 3.93Å; L77-I82 HydrophobicContact CD2-CG2 3.92Å; L77-I82 PolarHBondContact O-N 3.37Å; N80-I82 HydrophobicContact CB-CD1 4Å; N80-I82 HydrophobicContact CB-CG1 3.94Å; N80-I82 PolarHBondContact O-N 3.42Å
83I94.6Very high95.3Very high23 Ų2349.9 Ų49.912%0.11825%0.25CC..SBendtrans-130.6149.8174.572.7-177.3000108.4L74 L77 F78 V90 F93L74-I83 HydrophobicContact CD2-CD1 3.68Å; L77-I83 HydrophobicContact CB-CD1 3.75Å; L77-I83 HydrophobicContact CB-CG1 3.82Å; L77-I83 HydrophobicContact CD1-CD1 4.04Å; L77-I83 HydrophobicContact CG-CD1 4.5Å; L77-I83 PolarHBondContact O-N 3.21Å; F78-I83 HydrophobicContact CD1-CD1 3.93Å; F78-I83 HydrophobicContact CD1-CG1 3.51Å; F78-I83 HydrophobicContact CE1-CD1 3.53Å; F78-I83 HydrophobicContact CE1-CG1 3.55Å; F78-I83 HydrophobicContact CZ-CD1 4.43Å; I83-V90 HydrophobicContact CD1-CG2 4.35Å; I83-F93 HydrophobicContact CD1-CB 4.46Å; I83-F93 HydrophobicContact CD1-CD1 4.36Å; I83-F93 HydrophobicContact CD1-CG 4.29Å; I83-F93 HydrophobicContact CG2-CB 3.98Å; I83-F93 HydrophobicContact CG2-CD2 3.76Å; I83-F93 HydrophobicContact CG2-CG 4.01Å
84G94.8Very high95.5Very high29 Ų2950 Ų5030%0.29925%0.25SS..  trans-71.6163.6171.300000111.9F78 S86 D89F78-G84 WeakPolarHBondContact CD1-O 3.23Å; F78-G84 WeakPolarHBondContact CE1-O 3.39Å; G84-S86 VanDerWaalsContact C-N 3.25Å; G84-S86 PolarHBondContact O-N 3.03Å; G84-D89 VanDerWaalsContact CA-OD2 3.24Å; G84-D89 WeakPolarHBondContact CA-OD2 3.41Å; G84-D89 WeakPolarHBondContact O-CB 3.44Å
85R95.6Very high95.4Very high147 Ų14752.9 Ų52.956%0.55527%0.265SS*.SBendtrans-84.56.5-179.1-67.3-178.2179.6-133.3-4.4113.4F78 D79 F117F78-R85 HydrophobicContact CB-CG 3.84Å; F78-R85 HydrophobicContact CD1-CB 4.47Å; F78-R85 HydrophobicContact CD1-CG 3.78Å; F78-R85 HydrophobicContact CD2-CG 3.99Å; F78-R85 HydrophobicContact CE1-CG 4.31Å; F78-R85 HydrophobicContact CE2-CG 4.49Å; F78-R85 HydrophobicContact CG-CG 3.62Å; D79-R85 IonicContact OD1-NH2 2.77Å; D79-R85 PolarHBondContact OD1-NH2 2.84Å; R85-F117 WeakPolarHBondContact O-CE2 3.3Å; R85-F117 WeakPolarHBondContact O-CZ 3.3Å
86S97.6Very high95.3Very high36 Ų3654.3 Ų54.325%0.25227%0.272SS..SBendtrans-79.3152.717974.40000111.4G84 E88 D89 V90G84-S86 VanDerWaalsContact C-N 3.25Å; G84-S86 PolarHBondContact O-N 3.03Å; S86-E88 PolarHBondContact O-N 2.94Å; S86-D89 WeakPolarHBondContact CB-OD2 3.35Å; S86-D89 PolarHBondContact O-N 3.39Å; S86-D89 WeakPolarHBondContact OG-CB 3.34Å; S86-D89 PolarHBondContact OG-N 3.32Å; S86-D89 PolarHBondContact OG-OD2 2.84Å; S86-V90 WeakPolarHBondContact O-CG2 3.36Å; S86-V90 PolarHBondContact O-N 3.47Å
87P97.8Very high95.1Very high16 Ų1653.3 Ų53.310%0.10427%0.269CS..Hα-helixtrans-55.8-36.8172.3-24.834.2000113.1V90 A91 F117 Q120 V121P87-V90 PolarHBondContact O-N 3.11Å; P87-A91 WeakPolarHBondContact O-CB 3.43Å; P87-A91 PolarHBondContact O-N 3.07Å; P87-F117 HydrophobicContact CG-CD2 4.06Å; P87-F117 HydrophobicContact CG-CE2 3.77Å; P87-F117 HydrophobicContact CG-CZ 4.45Å; P87-Q120 HydrophobicContact CB-CB 3.8Å; P87-Q120 HydrophobicContact CG-CB 3.73Å; P87-V121 HydrophobicContact CB-CG2 3.91Å
88E98.2Very high94.7Very high117 Ų11755.3 Ų55.355%0.54728%0.28SS..Hα-helixtrans-66.1-41.8179.2-64.375.3-166.900112.3S86 V90 A91 K92 A124S86-E88 PolarHBondContact O-N 2.94Å; E88-V90 VanDerWaalsContact C-N 3.35Å; E88-A91 PolarHBondContact O-N 3.46Å; E88-K92 VanDerWaalsContact O-CB 3.29Å; E88-K92 WeakPolarHBondContact O-CB 3.41Å; E88-K92 PolarHBondContact O-N 3.46Å; E88-A124 HydrophobicContact CG-CB 4.19Å
89D97.9Very high94.2Very high65 Ų6558.3 Ų58.335%0.34829%0.294SS..Hα-helixtrans-64.5-41.2176.9-69.2-49000111.3G84 S86 F93G84-D89 VanDerWaalsContact CA-OD2 3.24Å; G84-D89 WeakPolarHBondContact CA-OD2 3.41Å; G84-D89 WeakPolarHBondContact O-CB 3.44Å; S86-D89 WeakPolarHBondContact CB-OD2 3.35Å; S86-D89 PolarHBondContact O-N 3.39Å; S86-D89 WeakPolarHBondContact OG-CB 3.34Å; S86-D89 PolarHBondContact OG-N 3.32Å; S86-D89 PolarHBondContact OG-OD2 2.84Å; D89-F93 WeakPolarHBondContact O-CB 3.43Å; D89-F93 PolarHBondContact O-N 2.95Å
90V98Very high93.6Very high0 Ų056.3 Ų56.30%028%0.283CS..Hα-helixtrans-67-43.2177.1176.90000110.9L74 F78 I83 S86 P87 E88 F93 F94 Y109 F117 V121L74-V90 HydrophobicContact CD1-CG1 4.25Å; L74-V90 HydrophobicContact CD2-CG1 4.07Å; L74-V90 HydrophobicContact CD2-CG2 4.31Å; F78-V90 HydrophobicContact CE1-CG2 3.8Å; F78-V90 HydrophobicContact CZ-CG2 3.72Å; I83-V90 HydrophobicContact CD1-CG2 4.35Å; S86-V90 WeakPolarHBondContact O-CG2 3.36Å; S86-V90 PolarHBondContact O-N 3.47Å; P87-V90 PolarHBondContact O-N 3.11Å; E88-V90 VanDerWaalsContact C-N 3.35Å; V90-F93 WeakPolarHBondContact O-CB 3.41Å; V90-F93 PolarHBondContact O-N 3.16Å; V90-F94 HydrophobicContact CG1-CD2 4.37Å; V90-F94 HydrophobicContact CG1-CE1 4.1Å; V90-F94 HydrophobicContact CG1-CE2 3.73Å; V90-F94 HydrophobicContact CG1-CZ 3.57Å; V90-F94 WeakPolarHBondContact O-CG 3.48Å; V90-F94 PolarHBondContact O-N 2.67Å; V90-Y109 HydrophobicContact CG1-CE1 4.25Å; V90-F117 HydrophobicContact CG2-CE1 4.16Å; V90-F117 HydrophobicContact CG2-CZ 4.04Å; V90-V121 HydrophobicContact CB-CG1 4.34Å; V90-V121 HydrophobicContact CB-CG2 4.01Å; V90-V121 HydrophobicContact CG1-CG1 3.87Å; V90-V121 HydrophobicContact CG1-CG2 4.02Å
91A97.9Very high93.6Very high0 Ų054 Ų540%027%0.27CS..Hα-helixtrans-61.3-45.6176.200000111.9P87 E88 F93 F94 I95 V121 A124 F125 L128P87-A91 WeakPolarHBondContact O-CB 3.43Å; P87-A91 PolarHBondContact O-N 3.07Å; E88-A91 PolarHBondContact O-N 3.46Å; A91-F93 VanDerWaalsContact C-N 3.35Å; A91-F93 PolarHBondContact O-N 2.86Å; A91-F94 PolarHBondContact O-N 3.25Å; A91-I95 PolarHBondContact O-N 3.04Å; A91-V121 HydrophobicContact CB-CG1 4.42Å; A91-A124 HydrophobicContact CB-CB 3.71Å; A91-F125 HydrophobicContact CB-CB 3.97Å; A91-L128 HydrophobicContact CB-CD1 3.91Å
92K97.6Very high93.3Very high107 Ų10748.8 Ų48.847%0.46525%0.246SC..Hα-helixtrans-61-43.4175.7-177.6175.9172.5-178.60111.7E88 F94 I95 E96 L128E88-K92 VanDerWaalsContact O-CB 3.29Å; E88-K92 WeakPolarHBondContact O-CB 3.41Å; E88-K92 PolarHBondContact O-N 3.46Å; K92-F94 VanDerWaalsContact C-N 3.33Å; K92-F94 PolarHBondContact O-N 3.17Å; K92-I95 PolarHBondContact O-N 3.19Å; K92-E96 WeakPolarHBondContact CE-OE1 3.29Å; K92-E96 HydrophobicContact CG-CG 4.23Å; K92-E96 IonicContact NZ-OE1 2.91Å; K92-E96 WeakPolarHBondContact O-CG 3.46Å; K92-E96 PolarHBondContact O-N 2.9Å; K92-L128 HydrophobicContact CB-CD1 4.1Å
93F96.8Very high93.2Very high5 Ų548 Ų482%0.02224%0.241CC..Hα-helixtrans-57.1-43.8174.4166.3-104.3000112.4L59 L77 I83 D89 V90 A91 I95 E96 Q97 L101L59-F93 HydrophobicContact CD1-CD2 4.44Å; L59-F93 HydrophobicContact CD1-CE2 3.88Å; L77-F93 HydrophobicContact CD1-CD1 4.48Å; L77-F93 HydrophobicContact CD1-CE1 3.73Å; L77-F93 HydrophobicContact CD1-CE2 3.86Å; L77-F93 HydrophobicContact CD1-CZ 3.36Å; L77-F93 HydrophobicContact CD2-CE2 4.35Å; I83-F93 HydrophobicContact CD1-CB 4.46Å; I83-F93 HydrophobicContact CD1-CD1 4.36Å; I83-F93 HydrophobicContact CD1-CG 4.29Å; I83-F93 HydrophobicContact CG2-CB 3.98Å; I83-F93 HydrophobicContact CG2-CD2 3.76Å; I83-F93 HydrophobicContact CG2-CG 4.01Å; D89-F93 WeakPolarHBondContact O-CB 3.43Å; D89-F93 PolarHBondContact O-N 2.95Å; V90-F93 WeakPolarHBondContact O-CB 3.41Å; V90-F93 PolarHBondContact O-N 3.16Å; A91-F93 VanDerWaalsContact C-N 3.35Å; A91-F93 PolarHBondContact O-N 2.86Å; F93-I95 VanDerWaalsContact C-N 3.29Å; F93-I95 PolarHBondContact O-N 3.18Å; F93-E96 PolarHBondContact O-N 2.98Å; F93-Q97 HydrophobicContact CD2-CB 4.21Å; F93-Q97 HydrophobicContact CD2-CG 3.61Å; F93-Q97 HydrophobicContact CE2-CB 3.99Å; F93-Q97 HydrophobicContact CE2-CG 3.55Å; F93-Q97 HydrophobicContact CZ-CB 4.43Å; F93-Q97 HydrophobicContact CZ-CG 4.44Å; F93-Q97 VanDerWaalsContact O-CB 3.29Å; F93-Q97 WeakPolarHBondContact O-CB 3.33Å; F93-Q97 PolarHBondContact O-N 3.38Å; F93-L101 HydrophobicContact CD1-CD1 4.14Å; F93-L101 HydrophobicContact CE1-CD1 3.64Å; F93-L101 HydrophobicContact CE1-CD2 3.91Å; F93-L101 HydrophobicContact CE1-CG 4.39Å; F93-L101 HydrophobicContact CZ-CD1 3.98Å; F93-L101 HydrophobicContact CZ-CD2 3.73Å; F93-L101 HydrophobicContact CZ-CG 4.34Å
94F96.6Very high93Very high2 Ų251.5 Ų51.51%0.00926%0.256CS..Hα-helixtrans-62.4-35.4178-67-19.9000113.2F66 V90 A91 K92 N98 L101 V106 Y109 I110 V121 F125F66-F94 HydrophobicContact CD2-CE1 4.38Å; F66-F94 HydrophobicContact CE1-CE1 4.04Å; F66-F94 AromaticContact CE2-CE1 3.56Å; F66-F94 HydrophobicContact CE2-CE1 3.56Å; F66-F94 AromaticContact CE2-CZ 3.74Å; F66-F94 HydrophobicContact CE2-CZ 3.74Å; F66-F94 HydrophobicContact CZ-CD1 4.36Å; F66-F94 AromaticContact CZ-CE1 3.35Å; F66-F94 HydrophobicContact CZ-CE1 3.35Å; F66-F94 AromaticContact CZ-CZ 3.57Å; F66-F94 HydrophobicContact CZ-CZ 3.57Å; V90-F94 HydrophobicContact CG1-CD2 4.37Å; V90-F94 HydrophobicContact CG1-CE1 4.1Å; V90-F94 HydrophobicContact CG1-CE2 3.73Å; V90-F94 HydrophobicContact CG1-CZ 3.57Å; V90-F94 WeakPolarHBondContact O-CG 3.48Å; V90-F94 PolarHBondContact O-N 2.67Å; A91-F94 PolarHBondContact O-N 3.25Å; K92-F94 VanDerWaalsContact C-N 3.33Å; K92-F94 PolarHBondContact O-N 3.17Å; F94-N98 WeakPolarHBondContact O-CA 3.43Å; F94-N98 PolarHBondContact O-N 3.15Å; F94-L101 HydrophobicContact CD1-CD1 3.7Å; F94-L101 HydrophobicContact CE1-CD1 4.46Å; F94-V106 HydrophobicContact CB-CG1 4.16Å; F94-V106 HydrophobicContact CD1-CG2 4.22Å; F94-V106 HydrophobicContact CD2-CG1 3.93Å; F94-V106 HydrophobicContact CE2-CG1 4.47Å; F94-V106 HydrophobicContact CG-CG1 4Å; F94-V106 HydrophobicContact CG-CG2 4.37Å; F94-Y109 AromaticContact CE2-CD1 3.66Å; F94-Y109 HydrophobicContact CE2-CD1 3.66Å; F94-Y109 HydrophobicContact CE2-CE1 4.17Å; F94-Y109 HydrophobicContact CE2-CG 4.49Å; F94-Y109 AromaticContact CZ-CD1 3.61Å; F94-Y109 HydrophobicContact CZ-CD1 3.61Å; F94-Y109 HydrophobicContact CZ-CE1 4.03Å; F94-Y109 HydrophobicContact CZ-CG 4.18Å; F94-I110 HydrophobicContact CD2-CG2 3.75Å; F94-I110 HydrophobicContact CE2-CG2 3.61Å; F94-V121 HydrophobicContact CD2-CG1 4.24Å; F94-V121 HydrophobicContact CE2-CG1 3.85Å; F94-F125 HydrophobicContact CB-CD2 4.05Å; F94-F125 HydrophobicContact CB-CE2 3.78Å; F94-F125 HydrophobicContact CD2-CD2 4.47Å
95I93.7Very high92.8Very high66 Ų6650.2 Ų50.234%0.33824%0.243SC..Hα-helixtrans-74.5-49.8176.8-65.9179000111A91 K92 F93 Q97 N98 F125 L128A91-I95 PolarHBondContact O-N 3.04Å; K92-I95 PolarHBondContact O-N 3.19Å; F93-I95 VanDerWaalsContact C-N 3.29Å; F93-I95 PolarHBondContact O-N 3.18Å; I95-Q97 VanDerWaalsContact C-N 3.31Å; I95-Q97 PolarHBondContact O-N 3.47Å; I95-N98 WeakPolarHBondContact O-CB 3.32Å; I95-N98 PolarHBondContact O-N 3.41Å; I95-F125 HydrophobicContact CD1-CD2 4.25Å; I95-F125 HydrophobicContact CD1-CE2 4.27Å; I95-F125 HydrophobicContact CG1-CD2 3.92Å; I95-F125 HydrophobicContact CG1-CE2 3.58Å; I95-F125 HydrophobicContact CG1-CZ 4.33Å; I95-L128 HydrophobicContact CD1-CB 3.26Å; I95-L128 HydrophobicContact CD1-CD1 3.75Å; I95-L128 HydrophobicContact CD1-CG 4.14Å
96E92.7Very high92.8Very high107 Ų10743.2 Ų43.250%0.522%0.216SC..Hα-helixtrans-65-35.1-177.4-70.5-178.4164.900112.6K92 F93K92-E96 WeakPolarHBondContact CE-OE1 3.29Å; K92-E96 HydrophobicContact CG-CG 4.23Å; K92-E96 IonicContact NZ-OE1 2.91Å; K92-E96 WeakPolarHBondContact O-CG 3.46Å; K92-E96 PolarHBondContact O-N 2.9Å; F93-E96 PolarHBondContact O-N 2.98Å
97Q90.4Very high92.6Very high27 Ų2741.5 Ų41.513%0.12620%0.204CC..THydrogen-bonded Turntrans-103.217.1-177.7-57.2-57.3-47.600113.6L59 F93 I95 H99 N100 L101L59-Q97 HydrophobicContact CD1-CG 4.29Å; F93-Q97 HydrophobicContact CD2-CB 4.21Å; F93-Q97 HydrophobicContact CD2-CG 3.61Å; F93-Q97 HydrophobicContact CE2-CB 3.99Å; F93-Q97 HydrophobicContact CE2-CG 3.55Å; F93-Q97 HydrophobicContact CZ-CB 4.43Å; F93-Q97 HydrophobicContact CZ-CG 4.44Å; F93-Q97 VanDerWaalsContact O-CB 3.29Å; F93-Q97 WeakPolarHBondContact O-CB 3.33Å; F93-Q97 PolarHBondContact O-N 3.38Å; I95-Q97 VanDerWaalsContact C-N 3.31Å; I95-Q97 PolarHBondContact O-N 3.47Å; Q97-H99 PolarHBondContact O-N 2.91Å; Q97-N100 WeakPolarHBondContact O-CA 3.46Å; Q97-N100 PolarHBondContact O-N 3.34Å; Q97-N100 PolarHBondContact OE1-ND2 3.37Å; Q97-L101 HydrophobicContact CB-CD1 3.89Å; Q97-L101 HydrophobicContact CB-CG 4Å; Q97-L101 WeakPolarHBondContact O-CG 3.25Å; Q97-L101 PolarHBondContact O-N 3.03Å
98N86.5Confident92.3Very high43 Ų4342.4 Ų42.423%0.2321%0.209CC..THydrogen-bonded Turntrans-48.9-39.3-177-173.914.5000113.4F94 I95 N100 S146F94-N98 WeakPolarHBondContact O-CA 3.43Å; F94-N98 PolarHBondContact O-N 3.15Å; I95-N98 WeakPolarHBondContact O-CB 3.32Å; I95-N98 PolarHBondContact O-N 3.41Å; N98-N100 VanDerWaalsContact C-N 3.34Å; N98-N100 PolarHBondContact O-N 2.82Å; N98-S146 PolarHBondContact OD1-O 2.99Å
99H85.2Confident92.2Very high82 Ų8238.2 Ų38.238%0.3819%0.189SC..THydrogen-bonded Turntrans-72.4-21.3178.162.6-82.1000114.7Q97Q97-H99 PolarHBondContact O-N 2.91Å
100N81.7Confident92.1Very high61 Ų6135.1 Ų35.133%0.32617%0.172SC..THydrogen-bonded Turntrans-97.7-15.2179.4-66-38.9000112.6C63 N67 Q97 N98C63-N100 HydrophobicContact CB-CB 4.2Å; N67-N100 PolarHBondContact ND2-O 3.43Å; Q97-N100 WeakPolarHBondContact O-CA 3.46Å; Q97-N100 PolarHBondContact O-N 3.34Å; Q97-N100 PolarHBondContact OE1-ND2 3.37Å; N98-N100 VanDerWaalsContact C-N 3.34Å; N98-N100 PolarHBondContact O-N 2.82Å
101L87.9Confident92Very high5 Ų535.1 Ų35.13%0.02617%0.172CC..SBendtrans-100.2149.4-177.2-61173.8000111.5C63 F66 N67 F93 F94 Q97 K103 V106C63-L101 HydrophobicContact CB-CD2 3.94Å; F66-L101 HydrophobicContact CB-CD2 4.29Å; F66-L101 HydrophobicContact CD1-CD2 3.63Å; F66-L101 HydrophobicContact CE1-CD2 4.31Å; F66-L101 HydrophobicContact CG-CD2 4.17Å; N67-L101 WeakPolarHBondContact OD1-CA 3.37Å; F93-L101 HydrophobicContact CD1-CD1 4.14Å; F93-L101 HydrophobicContact CE1-CD1 3.64Å; F93-L101 HydrophobicContact CE1-CD2 3.91Å; F93-L101 HydrophobicContact CE1-CG 4.39Å; F93-L101 HydrophobicContact CZ-CD1 3.98Å; F93-L101 HydrophobicContact CZ-CD2 3.73Å; F93-L101 HydrophobicContact CZ-CG 4.34Å; F94-L101 HydrophobicContact CD1-CD1 3.7Å; F94-L101 HydrophobicContact CE1-CD1 4.46Å; Q97-L101 HydrophobicContact CB-CD1 3.89Å; Q97-L101 HydrophobicContact CB-CG 4Å; Q97-L101 WeakPolarHBondContact O-CG 3.25Å; Q97-L101 PolarHBondContact O-N 3.03Å; L101-K103 PolarHBondContact O-N 2.67Å; L101-V106 HydrophobicContact CB-CG2 3.89Å; L101-V106 HydrophobicContact CD1-CG2 4.14Å
102S87Confident91.8Very high38 Ų3837.1 Ų37.127%0.26618%0.182SC..  trans-73.4115.9171.6170.50000108.5N67 H104 A105 V106N67-S102 PolarHBondContact OD1-N 2.89Å; S102-H104 PolarHBondContact O-N 3.12Å; S102-H104 VanDerWaalsContact O-N 3.15Å; S102-H104 PolarHBondContact OG-N 3.21Å; S102-A105 WeakPolarHBondContact O-CA 3.5Å; S102-A105 WeakPolarHBondContact O-CB 3.34Å; S102-A105 PolarHBondContact O-N 3.32Å; S102-A105 PolarHBondContact OG-N 2.93Å; S102-V106 PolarHBondContact O-N 2.9Å
103K89.2Confident91.6Very high33 Ų3334 Ų3414%0.14317%0.171CC..Hα-helixtrans-52.2-35.5174.2-70.3-168.7179.5-172.80112.1L101 G107 L145 Q148 D248L101-K103 PolarHBondContact O-N 2.67Å; K103-G107 PolarHBondContact O-N 3.3Å; K103-L145 WeakPolarHBondContact CE-O 3.07Å; K103-L145 PolarHBondContact NZ-O 2.94Å; K103-Q148 HydrophobicContact CB-CB 4.2Å; K103-Q148 PolarHBondContact O-N 3.16Å; K103-D248 IonicContact NZ-OD1 2.85Å; K103-D248 IonicContact NZ-OD2 3.57Å; K103-D248 PolarHBondContact NZ-OD2 2.92Å
104H89.3Confident91.3Very high95 Ų9538.8 Ų38.844%0.4420%0.204SC..Hα-helixtrans-64.8-44.9172.8179.477.5000112.9S102 G107 T108 Q148S102-H104 PolarHBondContact O-N 3.12Å; S102-H104 VanDerWaalsContact O-N 3.15Å; S102-H104 PolarHBondContact OG-N 3.21Å; H104-G107 PolarHBondContact O-N 3.2Å; H104-T108 WeakPolarHBondContact O-CB 3.42Å; H104-T108 PolarHBondContact O-N 2.9Å; H104-T108 PolarHBondContact O-OG1 3Å; H104-Q148 HydrophobicContact CB-CB 4.46Å
105A91.8Very high91.2Very high2 Ų244 Ų442%0.01723%0.227CC..Hα-helixtrans-65.7-42.3179.200000111.6F66 Q70 S102 Y109F66-A105 HydrophobicContact CD1-CB 4.26Å; F66-A105 HydrophobicContact CE1-CB 3.78Å; Q70-A105 HydrophobicContact CG-CB 4.12Å; S102-A105 WeakPolarHBondContact O-CA 3.5Å; S102-A105 WeakPolarHBondContact O-CB 3.34Å; S102-A105 PolarHBondContact O-N 3.32Å; S102-A105 PolarHBondContact OG-N 2.93Å; A105-Y109 VanDerWaalsContact O-CB 3.32Å; A105-Y109 WeakPolarHBondContact O-CB 3.17Å; A105-Y109 PolarHBondContact O-N 3.5Å
106V94.2Very high91.2Very high1 Ų146.3 Ų46.31%0.00624%0.236CC..Hα-helixtrans-61.3-52.6175.3176.80000110.2F66 F94 L101 S102 T108 Y109 I110 F147F66-V106 HydrophobicContact CE1-CG2 3.97Å; F66-V106 HydrophobicContact CZ-CG2 4.46Å; F94-V106 HydrophobicContact CB-CG1 4.16Å; F94-V106 HydrophobicContact CD1-CG2 4.22Å; F94-V106 HydrophobicContact CD2-CG1 3.93Å; F94-V106 HydrophobicContact CE2-CG1 4.47Å; F94-V106 HydrophobicContact CG-CG1 4Å; F94-V106 HydrophobicContact CG-CG2 4.37Å; L101-V106 HydrophobicContact CB-CG2 3.89Å; L101-V106 HydrophobicContact CD1-CG2 4.14Å; S102-V106 PolarHBondContact O-N 2.9Å; V106-T108 VanDerWaalsContact C-N 3.34Å; V106-T108 PolarHBondContact O-N 3.44Å; V106-Y109 PolarHBondContact O-N 2.92Å; V106-I110 HydrophobicContact CG1-CD1 4.43Å; V106-I110 HydrophobicContact CG1-CG2 4.34Å; V106-I110 WeakPolarHBondContact O-CG1 3.46Å; V106-I110 PolarHBondContact O-N 3.42Å; V106-F147 HydrophobicContact CB-CB 4.26Å; V106-F147 HydrophobicContact CG1-CB 3.97Å
107G93.6Very high91.4Very high0 Ų044.4 Ų44.40%023%0.227CC..Hα-helixtrans-60.6-40.1-179.300000113.5K103 H104 Y109 G111 Q148K103-G107 PolarHBondContact O-N 3.3Å; H104-G107 PolarHBondContact O-N 3.2Å; G107-Y109 VanDerWaalsContact C-N 3.33Å; G107-Y109 PolarHBondContact O-N 3.32Å; G107-G111 PolarHBondContact O-N 2.94Å; G107-Q148 WeakPolarHBondContact CA-O 3.34Å
108T92.4Very high91.7Very high34 Ų3443.5 Ų43.521%0.20922%0.222CC..Hα-helixtrans-64-38.9174.2-58.50000111.7H104 V106H104-T108 WeakPolarHBondContact O-CB 3.42Å; H104-T108 PolarHBondContact O-N 2.9Å; H104-T108 PolarHBondContact O-OG1 3Å; V106-T108 VanDerWaalsContact C-N 3.34Å; V106-T108 PolarHBondContact O-N 3.44Å
109Y96.3Very high92.2Very high29 Ų2943.1 Ų43.111%0.11422%0.22CC..Hα-helixtrans-73.3-49.9-178-172.5-87.8000112.4F66 Q70 L74 V90 F94 A105 V106 G107 G111 E112 N118 V121F66-Y109 HydrophobicContact CE2-CD2 4.46Å; Q70-Y109 HydrophobicContact CB-CD2 3.72Å; Q70-Y109 HydrophobicContact CB-CE2 4.39Å; Q70-Y109 HydrophobicContact CG-CD2 4.37Å; L74-Y109 HydrophobicContact CD1-CD2 4.35Å; L74-Y109 HydrophobicContact CD1-CE1 3.92Å; L74-Y109 HydrophobicContact CD1-CE2 3.51Å; L74-Y109 WeakPolarHBondContact CD1-OH 3.46Å; V90-Y109 HydrophobicContact CG1-CE1 4.25Å; F94-Y109 AromaticContact CE2-CD1 3.66Å; F94-Y109 HydrophobicContact CE2-CD1 3.66Å; F94-Y109 HydrophobicContact CE2-CE1 4.17Å; F94-Y109 HydrophobicContact CE2-CG 4.49Å; F94-Y109 AromaticContact CZ-CD1 3.61Å; F94-Y109 HydrophobicContact CZ-CD1 3.61Å; F94-Y109 HydrophobicContact CZ-CE1 4.03Å; F94-Y109 HydrophobicContact CZ-CG 4.18Å; A105-Y109 VanDerWaalsContact O-CB 3.32Å; A105-Y109 WeakPolarHBondContact O-CB 3.17Å; A105-Y109 PolarHBondContact O-N 3.5Å; V106-Y109 PolarHBondContact O-N 2.92Å; G107-Y109 VanDerWaalsContact C-N 3.33Å; G107-Y109 PolarHBondContact O-N 3.32Å; Y109-G111 VanDerWaalsContact C-N 3.3Å; Y109-G111 PolarHBondContact O-N 3.28Å; Y109-E112 WeakPolarHBondContact O-CB 3.44Å; Y109-E112 PolarHBondContact O-N 3.46Å; Y109-N118 WeakPolarHBondContact CD1-ND2 3.37Å; Y109-N118 WeakPolarHBondContact CD2-ND2 3.3Å; Y109-N118 VanDerWaalsContact CE1-ND2 3.26Å; Y109-N118 WeakPolarHBondContact CE1-ND2 3.47Å; Y109-N118 VanDerWaalsContact CE2-ND2 3.34Å; Y109-N118 WeakPolarHBondContact CE2-ND2 3.45Å; Y109-N118 PolarHBondContact O-ND2 3.27Å; Y109-V121 HydrophobicContact CE1-CG1 4.38Å; Y109-V121 HydrophobicContact CE1-CG2 4.42Å
110I96Very high92.8Very high0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-71.3-28-179.169-178.1000112F94 V106 E112 V121 L122 F125 F147F94-I110 HydrophobicContact CD2-CG2 3.75Å; F94-I110 HydrophobicContact CE2-CG2 3.61Å; V106-I110 HydrophobicContact CG1-CD1 4.43Å; V106-I110 HydrophobicContact CG1-CG2 4.34Å; V106-I110 WeakPolarHBondContact O-CG1 3.46Å; V106-I110 PolarHBondContact O-N 3.42Å; I110-E112 PolarHBondContact O-N 3.36Å; I110-V121 HydrophobicContact CG2-CG1 4.12Å; I110-L122 HydrophobicContact CB-CB 4.32Å; I110-L122 HydrophobicContact CB-CD1 4.25Å; I110-L122 HydrophobicContact CD1-CD1 4.14Å; I110-L122 HydrophobicContact CG1-CD1 4.26Å; I110-F125 HydrophobicContact CD1-CD1 4.21Å; I110-F125 HydrophobicContact CD1-CE1 4.17Å; I110-F147 HydrophobicContact CD1-CB 4.41Å; I110-F147 HydrophobicContact CD1-CD1 3.62Å; I110-F147 HydrophobicContact CD1-CD2 4.09Å; I110-F147 HydrophobicContact CD1-CE1 3.84Å; I110-F147 HydrophobicContact CD1-CE2 4.3Å; I110-F147 HydrophobicContact CD1-CG 3.76Å; I110-F147 HydrophobicContact CD1-CZ 4.19Å
111G94.3Very high93.6Very high0 Ų040 Ų400%020%0.204CC..THydrogen-bonded Turntrans-78.2-2.2176.300000114.2G107 Y109 V113 K155G107-G111 PolarHBondContact O-N 2.94Å; Y109-G111 VanDerWaalsContact C-N 3.3Å; Y109-G111 PolarHBondContact O-N 3.28Å; G111-V113 PolarHBondContact O-N 3.4Å; G111-K155 WeakPolarHBondContact O-CB 3.42Å; G111-K155 WeakPolarHBondContact O-CD 3.34Å; G111-K155 WeakPolarHBondContact O-CG 3.41Å
112E95Very high94Very high43 Ų4339.8 Ų39.820%0.20120%0.202CC..  trans-69.2117.1-178.6-177.856.6-102.400111.4Y109 I110 C114 K115 N118Y109-E112 WeakPolarHBondContact O-CB 3.44Å; Y109-E112 PolarHBondContact O-N 3.46Å; I110-E112 PolarHBondContact O-N 3.36Å; E112-C114 WeakPolarHBondContact OE1-CB 3.47Å; E112-C114 PolarHBondContact OE1-N 3.05Å; E112-K115 HydrophobicContact CG-CB 4.21Å; E112-K115 HydrophobicContact CG-CD 4.16Å; E112-K115 HydrophobicContact CG-CG 4.19Å; E112-N118 HydrophobicContact CB-CB 3.81Å; E112-N118 HydrophobicContact CG-CB 4.34Å
113V92Very high94.5Very high40 Ų4040.3 Ų40.324%0.24220%0.202CC..SBendtrans-94.4-15.9-175.8-640000113G111 K115 Q154 R158G111-V113 PolarHBondContact O-N 3.4Å; V113-K115 VanDerWaalsContact C-N 3.29Å; V113-K115 PolarHBondContact O-N 2.65Å; V113-Q154 HydrophobicContact CG2-CG 4.07Å; V113-R158 HydrophobicContact CG1-CB 3.97Å; V113-R158 HydrophobicContact CG1-CG 4.32Å
114C92Very high94.9Very high106 Ų10639.1 Ų39.172%0.71620%0.199SC*.SBendtrans-82.8-5.9-178.6-63.70000113.6E112E112-C114 WeakPolarHBondContact OE1-CB 3.47Å; E112-C114 PolarHBondContact OE1-N 3.05Å
115K93.2Very high95.3Very high111 Ų11134.7 Ų34.748%0.48318%0.178SC..  trans-127.7118.7-173.6-68.2179.1-175.7168.40111.1E112 V113 F117 N118 M119E112-K115 HydrophobicContact CG-CB 4.21Å; E112-K115 HydrophobicContact CG-CD 4.16Å; E112-K115 HydrophobicContact CG-CG 4.19Å; V113-K115 VanDerWaalsContact C-N 3.29Å; V113-K115 PolarHBondContact O-N 2.65Å; K115-F117 VanDerWaalsContact C-N 3.29Å; K115-F117 PolarHBondContact O-N 3.4Å; K115-N118 HydrophobicContact CB-CB 4.08Å; K115-N118 WeakPolarHBondContact CB-OD1 3.41Å; K115-N118 VanDerWaalsContact CD-OD1 3.23Å; K115-N118 WeakPolarHBondContact CD-OD1 3.27Å; K115-N118 WeakPolarHBondContact O-CB 3.25Å; K115-N118 PolarHBondContact O-N 2.92Å; K115-M119 PolarHBondContact O-N 2.98Å; K115-M119 VanDerWaalsContact O-N 3.16Å
116E95.2Very high95.6Very high116 Ų11634.7 Ų34.754%0.54218%0.178SC..Hα-helixtrans-53-44.5178.9-17556.5-14700112.9N118 M119 Q120E116-N118 VanDerWaalsContact C-N 3.31Å; E116-N118 PolarHBondContact O-N 3.45Å; E116-M119 HydrophobicContact CB-CE 4.4Å; E116-M119 PolarHBondContact O-N 3.45Å; E116-M119 WeakPolarHBondContact OE2-CE 3.37Å; E116-Q120 WeakPolarHBondContact O-CG 3.5Å; E116-Q120 PolarHBondContact O-N 3.13Å; E116-Q120 PolarHBondContact OE1-NE2 3.5Å
117F97.1Very high95.7Very high67 Ų6740.9 Ų40.929%0.29421%0.205SC..Hα-helixtrans-60.2-40.1178.2-172.4-97.3000112.6R85 P87 V90 K115 Q120 V121R85-F117 WeakPolarHBondContact O-CE2 3.3Å; R85-F117 WeakPolarHBondContact O-CZ 3.3Å; P87-F117 HydrophobicContact CG-CD2 4.06Å; P87-F117 HydrophobicContact CG-CE2 3.77Å; P87-F117 HydrophobicContact CG-CZ 4.45Å; V90-F117 HydrophobicContact CG2-CE1 4.16Å; V90-F117 HydrophobicContact CG2-CZ 4.04Å; K115-F117 VanDerWaalsContact C-N 3.29Å; K115-F117 PolarHBondContact O-N 3.4Å; F117-Q120 PolarHBondContact O-N 2.95Å; F117-V121 HydrophobicContact CD1-CG2 3.98Å; F117-V121 HydrophobicContact CE1-CG2 3.69Å; F117-V121 HydrophobicContact CZ-CG2 4.17Å; F117-V121 VanDerWaalsContact O-CG2 3.24Å; F117-V121 WeakPolarHBondContact O-CG2 3.5Å; F117-V121 PolarHBondContact O-N 2.93Å
118N96.9Very high95.8Very high7 Ų745 Ų454%0.03723%0.226CC..Hα-helixtrans-67-38.9178.7-68.879.3000111.7Y109 E112 K115 E116 V121 L122Y109-N118 WeakPolarHBondContact CD1-ND2 3.37Å; Y109-N118 WeakPolarHBondContact CD2-ND2 3.3Å; Y109-N118 VanDerWaalsContact CE1-ND2 3.26Å; Y109-N118 WeakPolarHBondContact CE1-ND2 3.47Å; Y109-N118 VanDerWaalsContact CE2-ND2 3.34Å; Y109-N118 WeakPolarHBondContact CE2-ND2 3.45Å; Y109-N118 PolarHBondContact O-ND2 3.27Å; E112-N118 HydrophobicContact CB-CB 3.81Å; E112-N118 HydrophobicContact CG-CB 4.34Å; K115-N118 HydrophobicContact CB-CB 4.08Å; K115-N118 WeakPolarHBondContact CB-OD1 3.41Å; K115-N118 VanDerWaalsContact CD-OD1 3.23Å; K115-N118 WeakPolarHBondContact CD-OD1 3.27Å; K115-N118 WeakPolarHBondContact O-CB 3.25Å; K115-N118 PolarHBondContact O-N 2.92Å; E116-N118 VanDerWaalsContact C-N 3.31Å; E116-N118 PolarHBondContact O-N 3.45Å; N118-V121 PolarHBondContact O-N 3.39Å; N118-L122 PolarHBondContact O-N 2.89Å
119M96.2Very high95.9Very high36 Ų3644 Ų4418%0.17722%0.219CC..Hα-helixtrans-63.3-43.3175.2-64.5-172.1-71.500111.4K115 E116 V121 L122 D123K115-M119 PolarHBondContact O-N 2.98Å; K115-M119 VanDerWaalsContact O-N 3.16Å; E116-M119 HydrophobicContact CB-CE 4.4Å; E116-M119 PolarHBondContact O-N 3.45Å; E116-M119 WeakPolarHBondContact OE2-CE 3.37Å; M119-V121 VanDerWaalsContact C-N 3.33Å; M119-V121 PolarHBondContact O-N 3.43Å; M119-L122 WeakPolarHBondContact O-CB 3.49Å; M119-L122 PolarHBondContact O-N 2.96Å; M119-D123 VanDerWaalsContact O-CG 3.3Å; M119-D123 PolarHBondContact O-N 3.43Å
120Q97.7Very high95.8Very high78 Ų7847.3 Ų47.336%0.36424%0.239SC..Hα-helixtrans-64.3-36.9174.8-67.4174.29.800112.4P87 E116 F117 D123 A124P87-Q120 HydrophobicContact CB-CB 3.8Å; P87-Q120 HydrophobicContact CG-CB 3.73Å; E116-Q120 WeakPolarHBondContact O-CG 3.5Å; E116-Q120 PolarHBondContact O-N 3.13Å; E116-Q120 PolarHBondContact OE1-NE2 3.5Å; F117-Q120 PolarHBondContact O-N 2.95Å; Q120-D123 PolarHBondContact O-N 3.32Å; Q120-A124 WeakPolarHBondContact O-CB 3.36Å; Q120-A124 PolarHBondContact O-N 2.96Å
121V98.1Very high95.8Very high0 Ų047.3 Ų47.30%024%0.239CC..Hα-helixtrans-63.6-41.5174.81710000110.8P87 V90 A91 F94 Y109 I110 F117 N118 M119 A124 F125P87-V121 HydrophobicContact CB-CG2 3.91Å; V90-V121 HydrophobicContact CB-CG1 4.34Å; V90-V121 HydrophobicContact CB-CG2 4.01Å; V90-V121 HydrophobicContact CG1-CG1 3.87Å; V90-V121 HydrophobicContact CG1-CG2 4.02Å; A91-V121 HydrophobicContact CB-CG1 4.42Å; F94-V121 HydrophobicContact CD2-CG1 4.24Å; F94-V121 HydrophobicContact CE2-CG1 3.85Å; Y109-V121 HydrophobicContact CE1-CG1 4.38Å; Y109-V121 HydrophobicContact CE1-CG2 4.42Å; I110-V121 HydrophobicContact CG2-CG1 4.12Å; F117-V121 HydrophobicContact CD1-CG2 3.98Å; F117-V121 HydrophobicContact CE1-CG2 3.69Å; F117-V121 HydrophobicContact CZ-CG2 4.17Å; F117-V121 VanDerWaalsContact O-CG2 3.24Å; F117-V121 WeakPolarHBondContact O-CG2 3.5Å; F117-V121 PolarHBondContact O-N 2.93Å; N118-V121 PolarHBondContact O-N 3.39Å; M119-V121 VanDerWaalsContact C-N 3.33Å; M119-V121 PolarHBondContact O-N 3.43Å; V121-A124 PolarHBondContact O-N 3.28Å; V121-F125 WeakPolarHBondContact O-CB 3.32Å; V121-F125 PolarHBondContact O-N 3.18Å
122L97.7Very high95.8Very high0 Ų053.5 Ų53.50%027%0.266CS..Hα-helixtrans-62-45.7174.4175.264000111.4I110 N118 M119 A124 F125 S126 R158 I159I110-L122 HydrophobicContact CB-CB 4.32Å; I110-L122 HydrophobicContact CB-CD1 4.25Å; I110-L122 HydrophobicContact CD1-CD1 4.14Å; I110-L122 HydrophobicContact CG1-CD1 4.26Å; N118-L122 PolarHBondContact O-N 2.89Å; M119-L122 WeakPolarHBondContact O-CB 3.49Å; M119-L122 PolarHBondContact O-N 2.96Å; L122-A124 VanDerWaalsContact C-N 3.31Å; L122-A124 PolarHBondContact O-N 3.31Å; L122-F125 WeakPolarHBondContact O-CB 3.36Å; L122-F125 PolarHBondContact O-N 2.81Å; L122-F125 VanDerWaalsContact O-N 3.12Å; L122-S126 PolarHBondContact O-N 2.89Å; L122-S126 PolarHBondContact O-OG 2.93Å; L122-R158 HydrophobicContact CD2-CG 3.65Å; L122-I159 HydrophobicContact CD1-CG1 4.3Å; L122-I159 HydrophobicContact CD2-CG1 4.16Å
123D97Very high95.7Very high48 Ų4858.2 Ų58.226%0.25729%0.292SS..Hα-helixtrans-61.4-41.6179.5-63-12.2000111.1M119 Q120 K127 R158M119-D123 VanDerWaalsContact O-CG 3.3Å; M119-D123 PolarHBondContact O-N 3.43Å; Q120-D123 PolarHBondContact O-N 3.32Å; D123-K127 VanDerWaalsContact O-CG 3.27Å; D123-K127 WeakPolarHBondContact O-CG 3.18Å; D123-K127 PolarHBondContact O-N 3.49Å; D123-K127 VanDerWaalsContact O-N 3.1Å; D123-R158 IonicContact OD1-CZ 2.89Å; D123-R158 IonicContact OD1-NH2 2.67Å; D123-R158 PolarHBondContact OD1-NH2 3.49Å; D123-R158 IonicContact OD2-NH2 2.93Å; D123-R158 PolarHBondContact OD2-NH2 2.97Å; D123-R158 VanDerWaalsContact OD2-NH2 3.13Å
124A97.9Very high95.8Very high9 Ų958.5 Ų58.57%0.07429%0.291CS..Hα-helixtrans-66.2-39.5173.300000112.5E88 A91 Q120 V121 L122 K127 L128E88-A124 HydrophobicContact CG-CB 4.19Å; A91-A124 HydrophobicContact CB-CB 3.71Å; Q120-A124 WeakPolarHBondContact O-CB 3.36Å; Q120-A124 PolarHBondContact O-N 2.96Å; V121-A124 PolarHBondContact O-N 3.28Å; L122-A124 VanDerWaalsContact C-N 3.31Å; L122-A124 PolarHBondContact O-N 3.31Å; A124-K127 PolarHBondContact O-N 3.3Å; A124-L128 WeakPolarHBondContact O-CG 3.24Å; A124-L128 PolarHBondContact O-N 3.04Å; A124-L128 VanDerWaalsContact O-N 3.15Å
125F97.6Very high96Very high1 Ų158.7 Ų58.70%0.00428%0.281CS..Hα-helixtrans-64.8-42.3178.4-176.1-92.1000112.1A91 F94 I95 I110 V121 L122 L128 H129 F143 F147A91-F125 HydrophobicContact CB-CB 3.97Å; F94-F125 HydrophobicContact CB-CD2 4.05Å; F94-F125 HydrophobicContact CB-CE2 3.78Å; F94-F125 HydrophobicContact CD2-CD2 4.47Å; I95-F125 HydrophobicContact CD1-CD2 4.25Å; I95-F125 HydrophobicContact CD1-CE2 4.27Å; I95-F125 HydrophobicContact CG1-CD2 3.92Å; I95-F125 HydrophobicContact CG1-CE2 3.58Å; I95-F125 HydrophobicContact CG1-CZ 4.33Å; I110-F125 HydrophobicContact CD1-CD1 4.21Å; I110-F125 HydrophobicContact CD1-CE1 4.17Å; V121-F125 WeakPolarHBondContact O-CB 3.32Å; V121-F125 PolarHBondContact O-N 3.18Å; L122-F125 WeakPolarHBondContact O-CB 3.36Å; L122-F125 PolarHBondContact O-N 2.81Å; L122-F125 VanDerWaalsContact O-N 3.12Å; F125-L128 PolarHBondContact O-N 2.79Å; F125-H129 AromaticContact CD1-CE1 3.83Å; F125-H129 AromaticContact CE1-CE1 3.34Å; F125-H129 WeakPolarHBondContact CE1-CE1 3.5Å; F125-H129 AromaticContact CZ-CE1 3.64Å; F125-H129 PolarHBondContact O-ND1 3.23Å; F125-F143 HydrophobicContact CD1-CE2 4Å; F125-F143 HydrophobicContact CE1-CE2 4.06Å; F125-F147 AromaticContact CE1-CD1 3.73Å; F125-F147 HydrophobicContact CE1-CD1 3.73Å; F125-F147 AromaticContact CE1-CE1 3.85Å; F125-F147 HydrophobicContact CE1-CE1 3.85Å; F125-F147 HydrophobicContact CZ-CD1 4.04Å
126S96.6Very high96.1Very high2 Ų253.7 Ų53.71%0.01426%0.26CS..Hα-helixtrans-62.6-43.1173-61.80000111L122 L128 H129 S162 R166L122-S126 PolarHBondContact O-N 2.89Å; L122-S126 PolarHBondContact O-OG 2.93Å; S126-L128 PolarHBondContact O-N 3.32Å; S126-H129 PolarHBondContact O-N 3.25Å; S126-S162 WeakPolarHBondContact CB-OG 3.49Å; S126-S162 PolarHBondContact OG-OG 3.16Å; S126-R166 WeakPolarHBondContact O-CG 3.25Å
127K96.3Very high96.1Very high131 Ų13148.7 Ų48.757%0.5724%0.237SC*.Hα-helixtrans-63.7-20.7176.9-75171.3-177173.10114.8D123 A124 R166D123-K127 VanDerWaalsContact O-CG 3.27Å; D123-K127 WeakPolarHBondContact O-CG 3.18Å; D123-K127 PolarHBondContact O-N 3.49Å; D123-K127 VanDerWaalsContact O-N 3.1Å; A124-K127 PolarHBondContact O-N 3.3Å; K127-R166 PolarHBondContact O-NH2 3.26Å
128L96Very high96Very high87 Ų8748 Ų4846%0.45524%0.239SC..THydrogen-bonded Turntrans-85.1-12.3175.9-70.5170.5000113.2A91 K92 I95 A124 F125 S126A91-L128 HydrophobicContact CB-CD1 3.91Å; K92-L128 HydrophobicContact CB-CD1 4.1Å; I95-L128 HydrophobicContact CD1-CB 3.26Å; I95-L128 HydrophobicContact CD1-CD1 3.75Å; I95-L128 HydrophobicContact CD1-CG 4.14Å; A124-L128 WeakPolarHBondContact O-CG 3.24Å; A124-L128 PolarHBondContact O-N 3.04Å; A124-L128 VanDerWaalsContact O-N 3.15Å; F125-L128 PolarHBondContact O-N 2.79Å; S126-L128 PolarHBondContact O-N 3.32Å
129H95.2Very high96Very high12 Ų1247.7 Ų47.76%0.05624%0.237CC..SBendtrans-82133.5168.5-69.469.1000109.5F125 S126 F131 F143 S146 R166 Q170F125-H129 AromaticContact CD1-CE1 3.83Å; F125-H129 AromaticContact CE1-CE1 3.34Å; F125-H129 WeakPolarHBondContact CE1-CE1 3.5Å; F125-H129 AromaticContact CZ-CE1 3.64Å; F125-H129 PolarHBondContact O-ND1 3.23Å; S126-H129 PolarHBondContact O-N 3.25Å; H129-F131 HydrophobicContact CB-CD1 4.4Å; H129-F131 HydrophobicContact CB-CE1 3.65Å; H129-F131 HydrophobicContact CB-CE2 3.89Å; H129-F131 HydrophobicContact CB-CZ 3.34Å; H129-F131 AromaticContact CG-CZ 3.98Å; H129-F143 AromaticContact CD2-CD2 3.83Å; H129-F143 AromaticContact CE1-CD2 3.95Å; H129-F143 AromaticContact CG-CD2 3.86Å; H129-F143 AromaticContact ND1-CD2 3.92Å; H129-F143 AromaticContact NE2-CD2 3.89Å; H129-S146 PolarHBondContact NE2-OG 2.93Å; H129-R166 PolarHBondContact O-NE 3.07Å; H129-R166 PolarHBondContact O-NH2 2.99Å; H129-Q170 PolarHBondContact O-OE1 2.72Å
130D94.9Very high96Very high100 Ų10046 Ų4654%0.53523%0.229SC..  trans-106.6105.8175.9-171.815.8000109.6K132 Q170D130-K132 VanDerWaalsContact OD1-CB 3.25Å; D130-K132 WeakPolarHBondContact OD1-CB 3.4Å; D130-K132 PolarHBondContact OD1-N 3.46Å; D130-Q170 PolarHBondContact OD1-NE2 3.49Å
131F95.6Very high95.8Very high0 Ų043.6 Ų43.60%022%0.216CC..  trans-102.58.4178-52.7-49.7000112.3H129 D133 E134 A139 F143 F163 R166 Y167 N171H129-F131 HydrophobicContact CB-CD1 4.4Å; H129-F131 HydrophobicContact CB-CE1 3.65Å; H129-F131 HydrophobicContact CB-CE2 3.89Å; H129-F131 HydrophobicContact CB-CZ 3.34Å; H129-F131 AromaticContact CG-CZ 3.98Å; F131-D133 PolarHBondContact O-N 3.32Å; F131-E134 WeakPolarHBondContact O-CB 3.5Å; F131-E134 PolarHBondContact O-N 3.32Å; F131-A139 HydrophobicContact CB-CB 4.16Å; F131-A139 HydrophobicContact CD1-CB 3.57Å; F131-A139 HydrophobicContact CE1-CB 4.14Å; F131-A139 HydrophobicContact CG-CB 3.98Å; F131-F143 HydrophobicContact CE1-CB 4.29Å; F131-F143 HydrophobicContact CZ-CB 3.94Å; F131-F143 AromaticContact CZ-CD2 3.91Å; F131-F143 HydrophobicContact CZ-CD2 3.91Å; F131-F143 HydrophobicContact CZ-CG 4.18Å; F131-F163 HydrophobicContact CD2-CE2 4.38Å; F131-F163 HydrophobicContact CE1-CE2 4.16Å; F131-F163 AromaticContact CE2-CD2 3.82Å; F131-F163 HydrophobicContact CE2-CD2 3.82Å; F131-F163 AromaticContact CE2-CE2 3.82Å; F131-F163 HydrophobicContact CE2-CE2 3.82Å; F131-F163 AromaticContact CZ-CD2 3.79Å; F131-F163 HydrophobicContact CZ-CD2 3.79Å; F131-F163 AromaticContact CZ-CE2 3.7Å; F131-F163 HydrophobicContact CZ-CE2 3.7Å; F131-R166 HydrophobicContact CD2-CG 3.9Å; F131-R166 HydrophobicContact CE2-CB 4.38Å; F131-R166 HydrophobicContact CE2-CG 3.8Å; F131-Y167 HydrophobicContact CB-CD2 3.82Å; F131-Y167 HydrophobicContact CB-CE2 4.25Å; F131-Y167 HydrophobicContact CD2-CD2 4.33Å; F131-Y167 HydrophobicContact CG-CD2 4.17Å; F131-N171 PolarHBondContact O-ND2 2.82Å; F131-N171 PolarHBondContact O-OD1 3.08Å
132K94Very high95.6Very high130 Ų13047.7 Ų47.757%0.56524%0.236SC*.THydrogen-bonded Turntrans-60.2129-175.1-173.1-172.9172.7-175.10110.5D130 E134D130-K132 VanDerWaalsContact OD1-CB 3.25Å; D130-K132 WeakPolarHBondContact OD1-CB 3.4Å; D130-K132 PolarHBondContact OD1-N 3.46Å; K132-E134 PolarHBondContact O-N 2.93Å; K132-E134 VanDerWaalsContact O-N 3.17Å
133D92.9Very high95.4Very high141 Ų14147.7 Ų47.775%0.75424%0.236SC*.THydrogen-bonded Turntrans62.413.9-178.8-53.2-53000113.7F131 N171F131-D133 PolarHBondContact O-N 3.32Å; D133-N171 PolarHBondContact N-OD1 2.84Å
134E93.9Very high95.2Very high46 Ų4645.6 Ų45.622%0.21523%0.225CC..  trans-93.6140.3177.6-163.4179.7179.900111.2F131 K132 P138 A139 Y167F131-E134 WeakPolarHBondContact O-CB 3.5Å; F131-E134 PolarHBondContact O-N 3.32Å; K132-E134 PolarHBondContact O-N 2.93Å; K132-E134 VanDerWaalsContact O-N 3.17Å; E134-P138 HydrophobicContact CG-CB 4.14Å; E134-P138 WeakPolarHBondContact OE1-CB 3.41Å; E134-A139 HydrophobicContact CB-CB 4.42Å; E134-A139 HydrophobicContact CG-CB 4.18Å; E134-A139 PolarHBondContact OE1-N 2.74Å; E134-A139 VanDerWaalsContact OE1-N 3.16Å; E134-Y167 WeakPolarHBondContact O-CE2 3.45Å; E134-Y167 PolarHBondContact O-OH 2.94Å
135E95.2Very high94.9Very high110 Ų11047.8 Ų47.851%0.51424%0.235SC..  trans-64.8147.1172.2-65.4-167.8169.700111.4L137 P138 A139 K233E135-L137 PolarHBondContact O-N 3.23Å; E135-P138 HydrophobicContact CB-CG 4.03Å; E135-P138 VanDerWaalsContact O-CD 3.29Å; E135-P138 WeakPolarHBondContact O-CD 3.35Å; E135-A139 WeakPolarHBondContact O-CB 3.38Å; E135-A139 PolarHBondContact O-N 2.79Å; E135-A139 VanDerWaalsContact O-N 3.07Å; E135-K233 IonicContact OE1-NZ 3.14Å; E135-K233 PolarHBondContact OE1-NZ 3.23Å; E135-K233 IonicContact OE2-NZ 3.21Å; E135-K233 PolarHBondContact OE2-NZ 3.33Å
136F96.4Very high94.6Very high6 Ų648.6 Ų48.63%0.02624%0.241CC..Hα-helixtrans-54.3-46.3-173.2174.2-98.5000114.3A139 L140 F163 Y167 F175 A181 L184 S185 I234F136-A139 PolarHBondContact O-N 3.32Å; F136-L140 HydrophobicContact CE1-CD2 4.32Å; F136-L140 WeakPolarHBondContact O-CB 3.36Å; F136-L140 PolarHBondContact O-N 3.32Å; F136-F163 HydrophobicContact CD2-CE1 4.3Å; F136-F163 AromaticContact CE2-CE1 3.73Å; F136-F163 HydrophobicContact CE2-CE1 3.73Å; F136-F163 HydrophobicContact CE2-CZ 4.4Å; F136-F163 HydrophobicContact CZ-CE1 4.24Å; F136-Y167 VanDerWaalsContact CA-CZ 3.45Å; F136-Y167 WeakPolarHBondContact CA-OH 3.49Å; F136-Y167 HydrophobicContact CB-CE1 4.06Å; F136-Y167 HydrophobicContact CB-CE2 4.39Å; F136-Y167 AromaticContact CD2-CD1 3.84Å; F136-Y167 HydrophobicContact CD2-CD1 3.84Å; F136-Y167 AromaticContact CD2-CE1 3.84Å; F136-Y167 HydrophobicContact CD2-CE1 3.84Å; F136-Y167 HydrophobicContact CD2-CG 4.22Å; F136-Y167 HydrophobicContact CG-CE1 4.46Å; F136-Y167 PolarHBondContact N-OH 3.4Å; F136-F175 HydrophobicContact CB-CE2 4.15Å; F136-F175 HydrophobicContact CB-CZ 4.16Å; F136-F175 HydrophobicContact CD1-CZ 4.34Å; F136-F175 AromaticContact CD2-CE2 3.37Å; F136-F175 HydrophobicContact CD2-CE2 3.37Å; F136-F175 AromaticContact CD2-CZ 3.57Å; F136-F175 HydrophobicContact CD2-CZ 3.57Å; F136-F175 AromaticContact CE2-CE2 3.88Å; F136-F175 HydrophobicContact CE2-CE2 3.88Å; F136-F175 AromaticContact CE2-CZ 3.91Å; F136-F175 HydrophobicContact CE2-CZ 3.91Å; F136-F175 AromaticContact CG-CE2 3.9Å; F136-F175 HydrophobicContact CG-CE2 3.9Å; F136-F175 AromaticContact CG-CZ 3.75Å; F136-F175 HydrophobicContact CG-CZ 3.75Å; F136-F175 HydrophobicContact CZ-CZ 4.44Å; F136-A181 HydrophobicContact CE2-CB 3.99Å; F136-A181 WeakPolarHBondContact CZ-O 3.32Å; F136-L184 HydrophobicContact CD1-CD2 3.87Å; F136-L184 HydrophobicContact CD1-CG 4.29Å; F136-L184 HydrophobicContact CE1-CB 4.16Å; F136-L184 HydrophobicContact CE1-CD2 3.65Å; F136-L184 HydrophobicContact CE1-CG 3.61Å; F136-L184 HydrophobicContact CZ-CB 4.07Å; F136-L184 HydrophobicContact CZ-CD2 4.12Å; F136-L184 HydrophobicContact CZ-CG 4.05Å; F136-S185 VanDerWaalsContact CZ-OG 3.23Å; F136-S185 WeakPolarHBondContact CZ-OG 3.27Å; F136-I234 HydrophobicContact CD1-CD1 3.84Å; F136-I234 HydrophobicContact CE1-CD1 4.28Å
137L95.6Very high94.4Very high12 Ų1248.5 Ų48.56%0.06324%0.24CC..Hα-helixtrans-71.1-46.6-175.8176.863.6000112.9E135 A139 L140 R141 V188 I234 A237 I238 L243E135-L137 PolarHBondContact O-N 3.23Å; L137-A139 VanDerWaalsContact C-N 3.33Å; L137-A139 PolarHBondContact O-N 3.47Å; L137-L140 PolarHBondContact O-N 3.42Å; L137-R141 HydrophobicContact CD1-CG 4.39Å; L137-R141 WeakPolarHBondContact O-CG 3.32Å; L137-R141 PolarHBondContact O-N 3.32Å; L137-V188 HydrophobicContact CD1-CG1 4.09Å; L137-I234 HydrophobicContact CB-CG1 4.28Å; L137-A237 HydrophobicContact CD2-CB 3.4Å; L137-I238 HydrophobicContact CD1-CD1 3.67Å; L137-I238 HydrophobicContact CD1-CG1 4.39Å; L137-I238 HydrophobicContact CD2-CD1 4.18Å; L137-I238 HydrophobicContact CD2-CG1 4.38Å; L137-L243 HydrophobicContact CD1-CD2 4.25Å
138P94.7Very high94Very high52 Ų5243.2 Ų43.234%0.33822%0.217SC..Hα-helixtrans-52.1-46.7168.4-31.237.4000113.7E134 E135 L140 R141 Q142E134-P138 HydrophobicContact CG-CB 4.14Å; E134-P138 WeakPolarHBondContact OE1-CB 3.41Å; E135-P138 HydrophobicContact CB-CG 4.03Å; E135-P138 VanDerWaalsContact O-CD 3.29Å; E135-P138 WeakPolarHBondContact O-CD 3.35Å; P138-L140 VanDerWaalsContact C-N 3.35Å; P138-L140 PolarHBondContact O-N 2.94Å; P138-R141 WeakPolarHBondContact O-CB 3.48Å; P138-R141 PolarHBondContact O-N 3.33Å; P138-R141 VanDerWaalsContact O-N 3.11Å; P138-Q142 PolarHBondContact O-N 3.44Å
139A96.5Very high93.7Very high0 Ų039.4 Ų39.40%020%0.197CC..Hα-helixtrans-59.8-44.7177.800000111.9F131 E134 E135 F136 L137 R141 Q142 F143 F163 Y167F131-A139 HydrophobicContact CB-CB 4.16Å; F131-A139 HydrophobicContact CD1-CB 3.57Å; F131-A139 HydrophobicContact CE1-CB 4.14Å; F131-A139 HydrophobicContact CG-CB 3.98Å; E134-A139 HydrophobicContact CB-CB 4.42Å; E134-A139 HydrophobicContact CG-CB 4.18Å; E134-A139 PolarHBondContact OE1-N 2.74Å; E134-A139 VanDerWaalsContact OE1-N 3.16Å; E135-A139 WeakPolarHBondContact O-CB 3.38Å; E135-A139 PolarHBondContact O-N 2.79Å; E135-A139 VanDerWaalsContact O-N 3.07Å; F136-A139 PolarHBondContact O-N 3.32Å; L137-A139 VanDerWaalsContact C-N 3.33Å; L137-A139 PolarHBondContact O-N 3.47Å; A139-R141 VanDerWaalsContact C-N 3.35Å; A139-R141 PolarHBondContact O-N 3.25Å; A139-Q142 PolarHBondContact O-N 3.13Å; A139-F143 WeakPolarHBondContact O-CB 3.3Å; A139-F143 PolarHBondContact O-N 2.86Å; A139-F163 HydrophobicContact CB-CE2 4.28Å; A139-F163 HydrophobicContact CB-CZ 4.25Å; A139-Y167 HydrophobicContact CB-CD2 3.68Å; A139-Y167 HydrophobicContact CB-CE2 3.62Å
140L95.9Very high93.4Very high0 Ų039.2 Ų39.20%020%0.197CC..Hα-helixtrans-62-41.7176-179.462.4000111.5F136 L137 P138 F143 L144 L160 F163 V188F136-L140 HydrophobicContact CE1-CD2 4.32Å; F136-L140 WeakPolarHBondContact O-CB 3.36Å; F136-L140 PolarHBondContact O-N 3.32Å; L137-L140 PolarHBondContact O-N 3.42Å; P138-L140 VanDerWaalsContact C-N 3.35Å; P138-L140 PolarHBondContact O-N 2.94Å; L140-F143 PolarHBondContact O-N 2.88Å; L140-L144 HydrophobicContact CD1-CD1 3.77Å; L140-L144 HydrophobicContact CD1-CG 4.03Å; L140-L144 HydrophobicContact CG-CD1 3.93Å; L140-L144 HydrophobicContact CG-CG 4.47Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 VanDerWaalsContact O-CG 3.25Å; L140-L144 WeakPolarHBondContact O-CG 3.43Å; L140-L144 PolarHBondContact O-N 3.06Å; L140-L160 HydrophobicContact CD1-CD2 4.4Å; L140-F163 VanDerWaalsContact CA-CZ 3.41Å; L140-F163 HydrophobicContact CB-CE1 3.93Å; L140-F163 HydrophobicContact CB-CE2 4.32Å; L140-F163 HydrophobicContact CB-CZ 3.62Å; L140-F163 HydrophobicContact CD1-CD1 3.77Å; L140-F163 HydrophobicContact CD1-CE1 3.6Å; L140-F163 HydrophobicContact CD1-CE2 4.42Å; L140-F163 HydrophobicContact CD1-CG 4.26Å; L140-F163 HydrophobicContact CD1-CZ 3.97Å; L140-F163 HydrophobicContact CG-CE1 4.29Å; L140-F163 HydrophobicContact CG-CZ 4.39Å; L140-V188 HydrophobicContact CD2-CB 4.07Å; L140-V188 HydrophobicContact CD2-CG1 3.72Å
141R94.1Very high92.7Very high28 Ų2836.7 Ų36.711%0.10619%0.194CC..Hα-helixtrans-62.4-48.4175.3-71.2173.3-175.5-78.65.9111.1L137 P138 A139 F143 L144 L145 E241 P242 L243L137-R141 HydrophobicContact CD1-CG 4.39Å; L137-R141 WeakPolarHBondContact O-CG 3.32Å; L137-R141 PolarHBondContact O-N 3.32Å; P138-R141 WeakPolarHBondContact O-CB 3.48Å; P138-R141 PolarHBondContact O-N 3.33Å; P138-R141 VanDerWaalsContact O-N 3.11Å; A139-R141 VanDerWaalsContact C-N 3.35Å; A139-R141 PolarHBondContact O-N 3.25Å; R141-F143 VanDerWaalsContact C-N 3.32Å; R141-F143 PolarHBondContact O-N 3.33Å; R141-L144 PolarHBondContact O-N 3.17Å; R141-L145 WeakPolarHBondContact O-CB 3.43Å; R141-L145 WeakPolarHBondContact O-CG 3.48Å; R141-L145 PolarHBondContact O-N 3.34Å; R141-E241 PolarHBondContact NH1-O 3.15Å; R141-E241 PolarHBondContact NH2-O 3.37Å; R141-P242 VanDerWaalsContact NH1-C 3.28Å; R141-P242 PolarHBondContact NH1-O 3.12Å; R141-L243 HydrophobicContact CG-CD2 4.21Å; R141-L243 VanDerWaalsContact NH1-CA 3.27Å; R141-L243 PolarHBondContact NH1-O 3.42Å
142Q92.9Very high92.4Very high87 Ų8740.9 Ų40.941%0.40721%0.214SC..Hα-helixtrans-56.8-48.1178.7178174.6-36.700110.9P138 A139 L144 L145 S146P138-Q142 PolarHBondContact O-N 3.44Å; A139-Q142 PolarHBondContact O-N 3.13Å; Q142-L144 PolarHBondContact O-N 3.19Å; Q142-L145 PolarHBondContact O-N 2.79Å; Q142-S146 PolarHBondContact O-N 2.84Å; Q142-S146 PolarHBondContact O-OG 2.99Å
143F95Very high92.1Very high0 Ų037.4 Ų37.40%021%0.206CC..Hα-helixtrans-60.6-47.7178.8-171.4-114000112.4F125 H129 F131 A139 L140 R141 L145 S146 F147 I159 F163F125-F143 HydrophobicContact CD1-CE2 4Å; F125-F143 HydrophobicContact CE1-CE2 4.06Å; H129-F143 AromaticContact CD2-CD2 3.83Å; H129-F143 AromaticContact CE1-CD2 3.95Å; H129-F143 AromaticContact CG-CD2 3.86Å; H129-F143 AromaticContact ND1-CD2 3.92Å; H129-F143 AromaticContact NE2-CD2 3.89Å; F131-F143 HydrophobicContact CE1-CB 4.29Å; F131-F143 HydrophobicContact CZ-CB 3.94Å; F131-F143 AromaticContact CZ-CD2 3.91Å; F131-F143 HydrophobicContact CZ-CD2 3.91Å; F131-F143 HydrophobicContact CZ-CG 4.18Å; A139-F143 WeakPolarHBondContact O-CB 3.3Å; A139-F143 PolarHBondContact O-N 2.86Å; L140-F143 PolarHBondContact O-N 2.88Å; R141-F143 VanDerWaalsContact C-N 3.32Å; R141-F143 PolarHBondContact O-N 3.33Å; F143-L145 PolarHBondContact O-N 3.3Å; F143-S146 WeakPolarHBondContact O-CB 3.4Å; F143-S146 PolarHBondContact O-N 3.31Å; F143-F147 HydrophobicContact CD1-CE1 4.2Å; F143-F147 HydrophobicContact CD1-CZ 4.18Å; F143-F147 AromaticContact CE1-CE1 3.95Å; F143-F147 HydrophobicContact CE1-CE1 3.95Å; F143-F147 AromaticContact CE1-CZ 3.83Å; F143-F147 HydrophobicContact CE1-CZ 3.83Å; F143-F147 HydrophobicContact CE2-CE1 4.32Å; F143-F147 HydrophobicContact CZ-CE1 4.03Å; F143-F147 HydrophobicContact CZ-CZ 4.26Å; F143-F147 VanDerWaalsContact O-CE1 3.3Å; F143-F147 WeakPolarHBondContact O-CE1 3.43Å; F143-I159 HydrophobicContact CE1-CG2 3.76Å; F143-F163 HydrophobicContact CB-CD2 3.75Å; F143-F163 HydrophobicContact CB-CE2 3.99Å; F143-F163 HydrophobicContact CD1-CB 3.79Å; F143-F163 AromaticContact CD1-CD2 3.66Å; F143-F163 HydrophobicContact CD1-CD2 3.66Å; F143-F163 AromaticContact CD1-CG 3.98Å; F143-F163 HydrophobicContact CD1-CG 3.98Å; F143-F163 HydrophobicContact CD2-CD2 4.38Å; F143-F163 HydrophobicContact CE1-CB 3.66Å; F143-F163 HydrophobicContact CE1-CD2 4.33Å; F143-F163 HydrophobicContact CE1-CG 4.37Å; F143-F163 AromaticContact CG-CD2 3.68Å; F143-F163 HydrophobicContact CG-CD2 3.68Å; F143-F163 HydrophobicContact CG-CE2 4.41Å; F143-F163 HydrophobicContact CG-CG 4.45Å; F143-F163 HydrophobicContact CZ-CB 4.33Å
144L93Very high92.2Very high4 Ų435.1 Ų35.12%0.02119%0.191CC..Hα-helixtrans-74.4-9.8-179.7-64.7179.2000113.9L140 R141 Q142 F147 L149 I189 L243 R244L140-L144 HydrophobicContact CD1-CD1 3.77Å; L140-L144 HydrophobicContact CD1-CG 4.03Å; L140-L144 HydrophobicContact CG-CD1 3.93Å; L140-L144 HydrophobicContact CG-CG 4.47Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 VanDerWaalsContact O-CG 3.25Å; L140-L144 WeakPolarHBondContact O-CG 3.43Å; L140-L144 PolarHBondContact O-N 3.06Å; R141-L144 PolarHBondContact O-N 3.17Å; Q142-L144 PolarHBondContact O-N 3.19Å; L144-F147 HydrophobicContact CD2-CE2 4.49Å; L144-F147 HydrophobicContact CD2-CZ 4.24Å; L144-L149 HydrophobicContact CD2-CD1 3.91Å; L144-I189 HydrophobicContact CD1-CD1 3.59Å; L144-L243 HydrophobicContact CD1-CD1 4.46Å; L144-L243 HydrophobicContact CD1-CD2 4.48Å; L144-R244 VanDerWaalsContact O-CZ 3.29Å; L144-R244 PolarHBondContact O-NE 3.25Å; L144-R244 PolarHBondContact O-NH2 2.88Å
145L90.6Very high92.2Very high54 Ų5433.6 Ų33.628%0.28318%0.184SC..Hα-helixtrans-83.9-21.3171.7-77.6169.8000112.5K103 R141 Q142 F143 F147 R244K103-L145 WeakPolarHBondContact CE-O 3.07Å; K103-L145 PolarHBondContact NZ-O 2.94Å; R141-L145 WeakPolarHBondContact O-CB 3.43Å; R141-L145 WeakPolarHBondContact O-CG 3.48Å; R141-L145 PolarHBondContact O-N 3.34Å; Q142-L145 PolarHBondContact O-N 2.79Å; F143-L145 PolarHBondContact O-N 3.3Å; L145-F147 VanDerWaalsContact C-N 3.26Å; L145-F147 PolarHBondContact O-N 3.15Å; L145-R244 HydrophobicContact CD2-CG 4.26Å
146S91.1Very high92.1Very high19 Ų1929.1 Ų29.113%0.13316%0.163CC..SBendtrans-71.6-17.6-179-58.70000113.6N98 H129 Q142 F143N98-S146 PolarHBondContact OD1-O 2.99Å; H129-S146 PolarHBondContact NE2-OG 2.93Å; Q142-S146 PolarHBondContact O-N 2.84Å; Q142-S146 PolarHBondContact O-OG 2.99Å; F143-S146 WeakPolarHBondContact O-CB 3.4Å; F143-S146 PolarHBondContact O-N 3.31Å
147F92.5Very high92Very high0 Ų031.3 Ų31.30%018%0.175CC..SBendtrans-155.8169.5177.558.1-88.3000110.6V106 I110 F125 F143 L144 L145 L149 I159 R244V106-F147 HydrophobicContact CB-CB 4.26Å; V106-F147 HydrophobicContact CG1-CB 3.97Å; I110-F147 HydrophobicContact CD1-CB 4.41Å; I110-F147 HydrophobicContact CD1-CD1 3.62Å; I110-F147 HydrophobicContact CD1-CD2 4.09Å; I110-F147 HydrophobicContact CD1-CE1 3.84Å; I110-F147 HydrophobicContact CD1-CE2 4.3Å; I110-F147 HydrophobicContact CD1-CG 3.76Å; I110-F147 HydrophobicContact CD1-CZ 4.19Å; F125-F147 AromaticContact CE1-CD1 3.73Å; F125-F147 HydrophobicContact CE1-CD1 3.73Å; F125-F147 AromaticContact CE1-CE1 3.85Å; F125-F147 HydrophobicContact CE1-CE1 3.85Å; F125-F147 HydrophobicContact CZ-CD1 4.04Å; F143-F147 HydrophobicContact CD1-CE1 4.2Å; F143-F147 HydrophobicContact CD1-CZ 4.18Å; F143-F147 AromaticContact CE1-CE1 3.95Å; F143-F147 HydrophobicContact CE1-CE1 3.95Å; F143-F147 AromaticContact CE1-CZ 3.83Å; F143-F147 HydrophobicContact CE1-CZ 3.83Å; F143-F147 HydrophobicContact CE2-CE1 4.32Å; F143-F147 HydrophobicContact CZ-CE1 4.03Å; F143-F147 HydrophobicContact CZ-CZ 4.26Å; F143-F147 VanDerWaalsContact O-CE1 3.3Å; F143-F147 WeakPolarHBondContact O-CE1 3.43Å; L144-F147 HydrophobicContact CD2-CE2 4.49Å; L144-F147 HydrophobicContact CD2-CZ 4.24Å; L145-F147 VanDerWaalsContact C-N 3.26Å; L145-F147 PolarHBondContact O-N 3.15Å; F147-L149 HydrophobicContact CE2-CD1 4.06Å; F147-I159 HydrophobicContact CE2-CD1 3.99Å; F147-I159 HydrophobicContact CE2-CG2 3.95Å; F147-I159 HydrophobicContact CZ-CG2 3.57Å; F147-R244 PolarHBondContact O-NH2 3.41Å
148Q88Confident92Very high19 Ų1934.2 Ų34.29%0.08919%0.185CC..PPolyproline II helixtrans-91.7126.1172-176.7177.4-15.500108.7K103 H104 G107K103-Q148 HydrophobicContact CB-CB 4.2Å; K103-Q148 PolarHBondContact O-N 3.16Å; H104-Q148 HydrophobicContact CB-CB 4.46Å; G107-Q148 WeakPolarHBondContact CA-O 3.34Å
149L89.5Confident92.1Very high8 Ų831.8 Ų31.84%0.04217%0.169CC..PPolyproline II helixtrans-66.6129.7-175.9-169.373.5000108.4L144 F147 I156 I159 I189 L434L144-L149 HydrophobicContact CD2-CD1 3.91Å; F147-L149 HydrophobicContact CE2-CD1 4.06Å; L149-I156 HydrophobicContact CD2-CD1 4.37Å; L149-I156 HydrophobicContact CD2-CG1 4.17Å; L149-I156 HydrophobicContact CD2-CG2 4.22Å; L149-I156 HydrophobicContact CG-CG1 4.09Å; L149-I159 HydrophobicContact CD1-CB 4.42Å; L149-I159 HydrophobicContact CD1-CD1 4.12Å; L149-I159 HydrophobicContact CD1-CG2 3.92Å; L149-I189 HydrophobicContact CD2-CD1 4.33Å; L149-L434 HydrophobicContact CD2-CD1 4.16Å
150P89.1Confident92.1Very high7 Ų731.8 Ų31.85%0.04517%0.169CC..PPolyproline II helixtrans-64160.1176.425.9-32.7000111.4E152 K155 I156 I159P150-E152 WeakPolarHBondContact CB-OE2 3.4Å; P150-K155 HydrophobicContact CB-CB 3.94Å; P150-K155 HydrophobicContact CB-CD 3.84Å; P150-K155 HydrophobicContact CG-CB 3.43Å; P150-K155 VanDerWaalsContact CG-CB 3.43Å; P150-K155 HydrophobicContact CG-CD 4.12Å; P150-K155 HydrophobicContact CG-CG 4.44Å; P150-I156 VanDerWaalsContact O-CD1 3.31Å; P150-I156 WeakPolarHBondContact O-CD1 3.19Å; P150-I156 WeakPolarHBondContact O-CG1 3.35Å; P150-I159 HydrophobicContact CG-CD1 3.69Å
151G81Confident92.1Very high47 Ų4733.7 Ų33.749%0.48518%0.181SC..SBendtrans-88.8-17.9-178.900000113.9
152E87.9Confident92.3Very high88 Ų8832.7 Ų32.741%0.41118%0.178SC..SBendtrans-78125.6-177.5-53.996.1124.300111P150 Q154 K155 I156P150-E152 WeakPolarHBondContact CB-OE2 3.4Å; E152-Q154 VanDerWaalsContact C-N 3.31Å; E152-Q154 HydrophobicContact CB-CG 4.45Å; E152-Q154 PolarHBondContact O-N 3.37Å; E152-K155 HydrophobicContact CB-CB 4.5Å; E152-K155 HydrophobicContact CB-CD 4.27Å; E152-K155 HydrophobicContact CB-CG 4.03Å; E152-K155 WeakPolarHBondContact O-CB 3.47Å; E152-K155 PolarHBondContact O-N 2.89Å; E152-K155 WeakPolarHBondContact OE1-CE 3.27Å; E152-K155 IonicContact OE1-NZ 3.76Å; E152-K155 PolarHBondContact OE1-NZ 3.33Å; E152-K155 IonicContact OE2-NZ 3.8Å; E152-I156 PolarHBondContact O-N 3.4Å; E152-I156 VanDerWaalsContact O-N 3.12Å
153S89.2Confident92.5Very high57 Ų5728.5 Ų28.540%0.39916%0.159SC..Hα-helixtrans-52.5-44.6-174.651.30000113.4K155 I156 D157S153-K155 VanDerWaalsContact C-N 3.28Å; S153-K155 PolarHBondContact O-N 3.07Å; S153-I156 PolarHBondContact O-N 2.78Å; S153-D157 WeakPolarHBondContact O-CB 3.45Å; S153-D157 PolarHBondContact O-N 3.35Å
154Q93.3Very high92.6Very high93 Ų9328.6 Ų28.644%0.43516%0.159SC..Hα-helixtrans-60.9-31.9177.967.8-159.629.600113.9V113 E152 R158V113-Q154 HydrophobicContact CG2-CG 4.07Å; E152-Q154 VanDerWaalsContact C-N 3.31Å; E152-Q154 HydrophobicContact CB-CG 4.45Å; E152-Q154 PolarHBondContact O-N 3.37Å; Q154-R158 PolarHBondContact O-N 2.8Å
155K94.1Very high92.8Very high14 Ų1433.4 Ų33.46%0.06118%0.182CC..Hα-helixtrans-79.5-40.7178.9-57.9-168.4172.8163.60110.8G111 P150 E152 S153 D157 R158 I159G111-K155 WeakPolarHBondContact O-CB 3.42Å; G111-K155 WeakPolarHBondContact O-CD 3.34Å; G111-K155 WeakPolarHBondContact O-CG 3.41Å; P150-K155 HydrophobicContact CB-CB 3.94Å; P150-K155 HydrophobicContact CB-CD 3.84Å; P150-K155 HydrophobicContact CG-CB 3.43Å; P150-K155 VanDerWaalsContact CG-CB 3.43Å; P150-K155 HydrophobicContact CG-CD 4.12Å; P150-K155 HydrophobicContact CG-CG 4.44Å; E152-K155 HydrophobicContact CB-CB 4.5Å; E152-K155 HydrophobicContact CB-CD 4.27Å; E152-K155 HydrophobicContact CB-CG 4.03Å; E152-K155 WeakPolarHBondContact O-CB 3.47Å; E152-K155 PolarHBondContact O-N 2.89Å; E152-K155 WeakPolarHBondContact OE1-CE 3.27Å; E152-K155 IonicContact OE1-NZ 3.76Å; E152-K155 PolarHBondContact OE1-NZ 3.33Å; E152-K155 IonicContact OE2-NZ 3.8Å; S153-K155 VanDerWaalsContact C-N 3.28Å; S153-K155 PolarHBondContact O-N 3.07Å; K155-D157 VanDerWaalsContact C-N 3.33Å; K155-R158 PolarHBondContact O-N 2.89Å; K155-I159 WeakPolarHBondContact O-CD1 3.46Å; K155-I159 VanDerWaalsContact O-CG1 3.27Å; K155-I159 WeakPolarHBondContact O-CG1 3.35Å; K155-I159 PolarHBondContact O-N 2.93Å; K155-I159 VanDerWaalsContact O-N 3.13Å
156I93.4Very high93.1Very high17 Ų1732.8 Ų32.89%0.08718%0.175CC..Hα-helixtrans-59.3-48.4174-62.6174.6000109.9L149 P150 E152 S153 R158 I159 L160L149-I156 HydrophobicContact CD2-CD1 4.37Å; L149-I156 HydrophobicContact CD2-CG1 4.17Å; L149-I156 HydrophobicContact CD2-CG2 4.22Å; L149-I156 HydrophobicContact CG-CG1 4.09Å; P150-I156 VanDerWaalsContact O-CD1 3.31Å; P150-I156 WeakPolarHBondContact O-CD1 3.19Å; P150-I156 WeakPolarHBondContact O-CG1 3.35Å; E152-I156 PolarHBondContact O-N 3.4Å; E152-I156 VanDerWaalsContact O-N 3.12Å; S153-I156 PolarHBondContact O-N 2.78Å; I156-R158 PolarHBondContact O-N 3.37Å; I156-I159 PolarHBondContact O-N 3.13Å; I156-L160 HydrophobicContact CG2-CD1 3.85Å; I156-L160 HydrophobicContact CG2-CG 4.1Å; I156-L160 WeakPolarHBondContact O-CG 3.33Å; I156-L160 PolarHBondContact O-N 3.09Å
157D94.5Very high93.4Very high51 Ų5132 Ų3227%0.27317%0.17SC..Hα-helixtrans-51.2-55.5178.1178.370.3000111.5S153 K155 I159 L160 T161 Y182S153-D157 WeakPolarHBondContact O-CB 3.45Å; S153-D157 PolarHBondContact O-N 3.35Å; K155-D157 VanDerWaalsContact C-N 3.33Å; D157-I159 VanDerWaalsContact C-N 3.33Å; D157-I159 PolarHBondContact O-N 3.46Å; D157-L160 PolarHBondContact O-N 3.02Å; D157-T161 WeakPolarHBondContact O-CB 3.33Å; D157-T161 PolarHBondContact O-N 3.49Å; D157-T161 PolarHBondContact O-OG1 3.32Å; D157-Y182 WeakPolarHBondContact OD1-CE2 3.47Å; D157-Y182 PolarHBondContact OD1-OH 3.25Å
158R95.2Very high93.6Very high74 Ų7432.7 Ų32.728%0.27917%0.174SC..Hα-helixtrans-58.8-41.8179.3-18061.8-173.3-163.75.4112.9V113 L122 D123 Q154 K155 I156 S162V113-R158 HydrophobicContact CG1-CB 3.97Å; V113-R158 HydrophobicContact CG1-CG 4.32Å; L122-R158 HydrophobicContact CD2-CG 3.65Å; D123-R158 IonicContact OD1-CZ 2.89Å; D123-R158 IonicContact OD1-NH2 2.67Å; D123-R158 PolarHBondContact OD1-NH2 3.49Å; D123-R158 IonicContact OD2-NH2 2.93Å; D123-R158 PolarHBondContact OD2-NH2 2.97Å; D123-R158 VanDerWaalsContact OD2-NH2 3.13Å; Q154-R158 PolarHBondContact O-N 2.8Å; K155-R158 PolarHBondContact O-N 2.89Å; I156-R158 PolarHBondContact O-N 3.37Å; R158-S162 WeakPolarHBondContact O-CB 3.2Å; R158-S162 PolarHBondContact O-N 3.34Å
159I96.8Very high94Very high0 Ų037.9 Ų37.90%020%0.198CC..Hα-helixtrans-65.2-46.6179.5-71.8168.5000111L122 F143 F147 L149 P150 K155 I156 D157 S162 F163L122-I159 HydrophobicContact CD1-CG1 4.3Å; L122-I159 HydrophobicContact CD2-CG1 4.16Å; F143-I159 HydrophobicContact CE1-CG2 3.76Å; F147-I159 HydrophobicContact CE2-CD1 3.99Å; F147-I159 HydrophobicContact CE2-CG2 3.95Å; F147-I159 HydrophobicContact CZ-CG2 3.57Å; L149-I159 HydrophobicContact CD1-CB 4.42Å; L149-I159 HydrophobicContact CD1-CD1 4.12Å; L149-I159 HydrophobicContact CD1-CG2 3.92Å; P150-I159 HydrophobicContact CG-CD1 3.69Å; K155-I159 WeakPolarHBondContact O-CD1 3.46Å; K155-I159 VanDerWaalsContact O-CG1 3.27Å; K155-I159 WeakPolarHBondContact O-CG1 3.35Å; K155-I159 PolarHBondContact O-N 2.93Å; K155-I159 VanDerWaalsContact O-N 3.13Å; I156-I159 PolarHBondContact O-N 3.13Å; D157-I159 VanDerWaalsContact C-N 3.33Å; D157-I159 PolarHBondContact O-N 3.46Å; I159-S162 PolarHBondContact O-N 3.15Å; I159-F163 PolarHBondContact O-N 3.49Å
160L96.6Very high94.4Very high0 Ų039.5 Ų39.50%021%0.206CC..Hα-helixtrans-69.1-36.1-179.6-66.4-173.2000112L140 I156 D157 F163 S164 Y182 Y186 I189L140-L160 HydrophobicContact CD1-CD2 4.4Å; I156-L160 HydrophobicContact CG2-CD1 3.85Å; I156-L160 HydrophobicContact CG2-CG 4.1Å; I156-L160 WeakPolarHBondContact O-CG 3.33Å; I156-L160 PolarHBondContact O-N 3.09Å; D157-L160 PolarHBondContact O-N 3.02Å; L160-F163 PolarHBondContact O-N 2.72Å; L160-S164 VanDerWaalsContact O-CB 3.27Å; L160-S164 WeakPolarHBondContact O-CB 3.2Å; L160-S164 PolarHBondContact O-N 3.05Å; L160-S164 PolarHBondContact O-OG 3.17Å; L160-Y182 HydrophobicContact CB-CD2 4.01Å; L160-Y182 HydrophobicContact CB-CE2 4.13Å; L160-Y186 HydrophobicContact CD1-CD2 4Å; L160-I189 HydrophobicContact CD1-CG1 4.27Å
161T96.8Very high94.7Very high41 Ų4139.6 Ų39.625%0.25221%0.206SC..Hα-helixtrans-60.1-50.1172.6-61.50000110.6D157 F163 S164 E165 Y182D157-T161 WeakPolarHBondContact O-CB 3.33Å; D157-T161 PolarHBondContact O-N 3.49Å; D157-T161 PolarHBondContact O-OG1 3.32Å; T161-F163 PolarHBondContact O-N 3.26Å; T161-S164 PolarHBondContact O-N 3.18Å; T161-S164 VanDerWaalsContact O-N 3.13Å; T161-E165 HydrophobicContact CG2-CG 4.48Å; T161-E165 WeakPolarHBondContact O-CG 3.45Å; T161-E165 PolarHBondContact O-N 2.71Å; T161-Y182 WeakPolarHBondContact OG1-CD2 3.23Å; T161-Y182 WeakPolarHBondContact OG1-CE2 3.13Å
162S96.8Very high95.3Very high6 Ų642 Ų424%0.04221%0.213CC..Hα-helixtrans-60.3-42.6178.6-169.30000112.5S126 R158 I159 R166S126-S162 WeakPolarHBondContact CB-OG 3.49Å; S126-S162 PolarHBondContact OG-OG 3.16Å; R158-S162 WeakPolarHBondContact O-CB 3.2Å; R158-S162 PolarHBondContact O-N 3.34Å; I159-S162 PolarHBondContact O-N 3.15Å; S162-R166 WeakPolarHBondContact O-CB 3.49Å; S162-R166 PolarHBondContact O-N 3.37Å; S162-R166 VanDerWaalsContact O-N 3.16Å
163F97.7Very high95.6Very high0 Ų043.3 Ų43.30%023%0.232CC..Hα-helixtrans-59.7-46.4173.3169.7-101.3000112.2F131 F136 A139 L140 F143 I159 L160 T161 R166 Y167F131-F163 HydrophobicContact CD2-CE2 4.38Å; F131-F163 HydrophobicContact CE1-CE2 4.16Å; F131-F163 AromaticContact CE2-CD2 3.82Å; F131-F163 HydrophobicContact CE2-CD2 3.82Å; F131-F163 AromaticContact CE2-CE2 3.82Å; F131-F163 HydrophobicContact CE2-CE2 3.82Å; F131-F163 AromaticContact CZ-CD2 3.79Å; F131-F163 HydrophobicContact CZ-CD2 3.79Å; F131-F163 AromaticContact CZ-CE2 3.7Å; F131-F163 HydrophobicContact CZ-CE2 3.7Å; F136-F163 HydrophobicContact CD2-CE1 4.3Å; F136-F163 AromaticContact CE2-CE1 3.73Å; F136-F163 HydrophobicContact CE2-CE1 3.73Å; F136-F163 HydrophobicContact CE2-CZ 4.4Å; F136-F163 HydrophobicContact CZ-CE1 4.24Å; A139-F163 HydrophobicContact CB-CE2 4.28Å; A139-F163 HydrophobicContact CB-CZ 4.25Å; L140-F163 VanDerWaalsContact CA-CZ 3.41Å; L140-F163 HydrophobicContact CB-CE1 3.93Å; L140-F163 HydrophobicContact CB-CE2 4.32Å; L140-F163 HydrophobicContact CB-CZ 3.62Å; L140-F163 HydrophobicContact CD1-CD1 3.77Å; L140-F163 HydrophobicContact CD1-CE1 3.6Å; L140-F163 HydrophobicContact CD1-CE2 4.42Å; L140-F163 HydrophobicContact CD1-CG 4.26Å; L140-F163 HydrophobicContact CD1-CZ 3.97Å; L140-F163 HydrophobicContact CG-CE1 4.29Å; L140-F163 HydrophobicContact CG-CZ 4.39Å; F143-F163 HydrophobicContact CB-CD2 3.75Å; F143-F163 HydrophobicContact CB-CE2 3.99Å; F143-F163 HydrophobicContact CD1-CB 3.79Å; F143-F163 AromaticContact CD1-CD2 3.66Å; F143-F163 HydrophobicContact CD1-CD2 3.66Å; F143-F163 AromaticContact CD1-CG 3.98Å; F143-F163 HydrophobicContact CD1-CG 3.98Å; F143-F163 HydrophobicContact CD2-CD2 4.38Å; F143-F163 HydrophobicContact CE1-CB 3.66Å; F143-F163 HydrophobicContact CE1-CD2 4.33Å; F143-F163 HydrophobicContact CE1-CG 4.37Å; F143-F163 AromaticContact CG-CD2 3.68Å; F143-F163 HydrophobicContact CG-CD2 3.68Å; F143-F163 HydrophobicContact CG-CE2 4.41Å; F143-F163 HydrophobicContact CG-CG 4.45Å; F143-F163 HydrophobicContact CZ-CB 4.33Å; I159-F163 PolarHBondContact O-N 3.49Å; L160-F163 PolarHBondContact O-N 2.72Å; T161-F163 PolarHBondContact O-N 3.26Å; F163-R166 PolarHBondContact O-N 3.15Å; F163-Y167 HydrophobicContact CZ-CD2 4.25Å; F163-Y167 HydrophobicContact CZ-CG 4.4Å; F163-Y167 WeakPolarHBondContact O-CB 3.46Å; F163-Y167 PolarHBondContact O-N 2.95Å
164S97.3Very high95.8Very high1 Ų143.5 Ų43.51%0.00723%0.23CC..Hα-helixtrans-69.4-42.6-172.9-57.90000112.1L160 T161 R166 Y167 V168 P178 Y182L160-S164 VanDerWaalsContact O-CB 3.27Å; L160-S164 WeakPolarHBondContact O-CB 3.2Å; L160-S164 PolarHBondContact O-N 3.05Å; L160-S164 PolarHBondContact O-OG 3.17Å; T161-S164 PolarHBondContact O-N 3.18Å; T161-S164 VanDerWaalsContact O-N 3.13Å; S164-R166 VanDerWaalsContact C-N 3.34Å; S164-Y167 PolarHBondContact O-N 2.94Å; S164-V168 WeakPolarHBondContact O-CG2 3.41Å; S164-V168 PolarHBondContact O-N 2.83Å; S164-V168 VanDerWaalsContact O-N 3.08Å; S164-P178 WeakPolarHBondContact CB-O 3.41Å; S164-Y182 WeakPolarHBondContact OG-CA 3.48Å; S164-Y182 PolarHBondContact OG-N 3.02Å; S164-Y182 VanDerWaalsContact OG-N 3.15Å
165E97.1Very high95.8Very high106 Ų10639.5 Ų39.550%0.49521%0.211SC..Hα-helixtrans-58.3-47.6172.1-71.5176.1166.600110.8T161 E169 P178T161-E165 HydrophobicContact CG2-CG 4.48Å; T161-E165 WeakPolarHBondContact O-CG 3.45Å; T161-E165 PolarHBondContact O-N 2.71Å; E165-E169 WeakPolarHBondContact O-CB 3.36Å; E165-E169 PolarHBondContact O-N 2.69Å; E165-P178 HydrophobicContact CG-CB 4.08Å
166R97.1Very high95.7Very high40 Ų4044.4 Ų44.415%0.15124%0.239CC..Hα-helixtrans-65.1-43.4179.817957179-162.9-5.6113S126 K127 H129 F131 S162 F163 S164 E169 Q170S126-R166 WeakPolarHBondContact O-CG 3.25Å; K127-R166 PolarHBondContact O-NH2 3.26Å; H129-R166 PolarHBondContact O-NE 3.07Å; H129-R166 PolarHBondContact O-NH2 2.99Å; F131-R166 HydrophobicContact CD2-CG 3.9Å; F131-R166 HydrophobicContact CE2-CB 4.38Å; F131-R166 HydrophobicContact CE2-CG 3.8Å; S162-R166 WeakPolarHBondContact O-CB 3.49Å; S162-R166 PolarHBondContact O-N 3.37Å; S162-R166 VanDerWaalsContact O-N 3.16Å; F163-R166 PolarHBondContact O-N 3.15Å; S164-R166 VanDerWaalsContact C-N 3.34Å; R166-E169 WeakPolarHBondContact CD-OE2 3.18Å; R166-E169 IonicContact CZ-OE2 2.7Å; R166-E169 IonicContact NH1-OE2 3.77Å; R166-E169 PolarHBondContact NH1-OE2 3.19Å; R166-E169 VanDerWaalsContact NH1-OE2 3.11Å; R166-E169 PolarHBondContact O-N 3.35Å; R166-Q170 PolarHBondContact O-N 3.2Å
167Y97.8Very high95.7Very high2 Ų245.3 Ų45.31%0.00825%0.246CC..Hα-helixtrans-62.7-44.7-179.9-177.7-90.4000111.3F131 E134 F136 A139 F163 S164 Q170 N171 V174 F175F131-Y167 HydrophobicContact CB-CD2 3.82Å; F131-Y167 HydrophobicContact CB-CE2 4.25Å; F131-Y167 HydrophobicContact CD2-CD2 4.33Å; F131-Y167 HydrophobicContact CG-CD2 4.17Å; E134-Y167 WeakPolarHBondContact O-CE2 3.45Å; E134-Y167 PolarHBondContact O-OH 2.94Å; F136-Y167 VanDerWaalsContact CA-CZ 3.45Å; F136-Y167 WeakPolarHBondContact CA-OH 3.49Å; F136-Y167 HydrophobicContact CB-CE1 4.06Å; F136-Y167 HydrophobicContact CB-CE2 4.39Å; F136-Y167 AromaticContact CD2-CD1 3.84Å; F136-Y167 HydrophobicContact CD2-CD1 3.84Å; F136-Y167 AromaticContact CD2-CE1 3.84Å; F136-Y167 HydrophobicContact CD2-CE1 3.84Å; F136-Y167 HydrophobicContact CD2-CG 4.22Å; F136-Y167 HydrophobicContact CG-CE1 4.46Å; F136-Y167 PolarHBondContact N-OH 3.4Å; A139-Y167 HydrophobicContact CB-CD2 3.68Å; A139-Y167 HydrophobicContact CB-CE2 3.62Å; F163-Y167 HydrophobicContact CZ-CD2 4.25Å; F163-Y167 HydrophobicContact CZ-CG 4.4Å; F163-Y167 WeakPolarHBondContact O-CB 3.46Å; F163-Y167 PolarHBondContact O-N 2.95Å; S164-Y167 PolarHBondContact O-N 2.94Å; Y167-Q170 PolarHBondContact O-N 3.06Å; Y167-N171 HydrophobicContact CD1-CB 4.47Å; Y167-N171 HydrophobicContact CE1-CB 3.97Å; Y167-N171 WeakPolarHBondContact CE2-ND2 3.26Å; Y167-N171 WeakPolarHBondContact O-CB 3.38Å; Y167-N171 PolarHBondContact O-N 2.78Å; Y167-N171 PolarHBondContact O-ND2 2.96Å; Y167-N171 VanDerWaalsContact O-ND2 3.13Å; Y167-V174 HydrophobicContact CE1-CB 4.22Å; Y167-V174 HydrophobicContact CE1-CG1 4.18Å; Y167-V174 HydrophobicContact CE1-CG2 4.46Å; Y167-F175 HydrophobicContact CD1-CD2 4.04Å; Y167-F175 AromaticContact CD1-CE2 3.84Å; Y167-F175 HydrophobicContact CD1-CE2 3.84Å; Y167-F175 AromaticContact CE1-CD2 3.94Å; Y167-F175 HydrophobicContact CE1-CD2 3.94Å; Y167-F175 AromaticContact CE1-CE2 3.56Å; Y167-F175 HydrophobicContact CE1-CE2 3.56Å
168V96.9Very high95.7Very high16 Ų1645.6 Ų45.610%0.09725%0.251CS..Hα-helixtrans-70.4-35.6179.4174.90000111.9S164 Q170 N171 P172 F175 P178 A181S164-V168 WeakPolarHBondContact O-CG2 3.41Å; S164-V168 PolarHBondContact O-N 2.83Å; S164-V168 VanDerWaalsContact O-N 3.08Å; V168-Q170 PolarHBondContact O-N 3.11Å; V168-N171 CarbonylContact O-C 3.59Å; V168-N171 PolarHBondContact O-N 2.66Å; V168-P172 WeakPolarHBondContact O-CA 3.32Å; V168-P172 VanDerWaalsContact O-N 3.14Å; V168-F175 HydrophobicContact CG2-CB 4.01Å; V168-F175 HydrophobicContact CG2-CD2 4Å; V168-F175 HydrophobicContact CG2-CG 4.4Å; V168-P178 HydrophobicContact CB-CG 4.39Å; V168-P178 HydrophobicContact CG1-CG 4.32Å; V168-A181 HydrophobicContact CG2-CB 3.79Å
169E96.4Very high95.7Very high128 Ų12845.5 Ų45.560%0.59825%0.254SS*.Hα-helixtrans-54.8-41.9172.2-177.4-171.9-160.900111.6E165 R166E165-E169 WeakPolarHBondContact O-CB 3.36Å; E165-E169 PolarHBondContact O-N 2.69Å; R166-E169 WeakPolarHBondContact CD-OE2 3.18Å; R166-E169 IonicContact CZ-OE2 2.7Å; R166-E169 IonicContact NH1-OE2 3.77Å; R166-E169 PolarHBondContact NH1-OE2 3.19Å; R166-E169 VanDerWaalsContact NH1-OE2 3.11Å; R166-E169 PolarHBondContact O-N 3.35Å
170Q96.6Very high95.6Very high42 Ų4245.8 Ų45.820%0.19626%0.255CS..Hα-helixtrans-88.5-22.1-179-61.5-168.6-74.300114H129 D130 R166 Y167 V168 P172H129-Q170 PolarHBondContact O-OE1 2.72Å; D130-Q170 PolarHBondContact OD1-NE2 3.49Å; R166-Q170 PolarHBondContact O-N 3.2Å; Y167-Q170 PolarHBondContact O-N 3.06Å; V168-Q170 PolarHBondContact O-N 3.11Å; Q170-P172 VanDerWaalsContact C-CD 3.5Å
171N96Very high95.5Very high9 Ų945.8 Ų45.85%0.04826%0.255CS..  trans-131.262.1-177.8-55.4-77.5000112.1F131 D133 Y167 V168 S173 V174F131-N171 PolarHBondContact O-ND2 2.82Å; F131-N171 PolarHBondContact O-OD1 3.08Å; D133-N171 PolarHBondContact N-OD1 2.84Å; Y167-N171 HydrophobicContact CD1-CB 4.47Å; Y167-N171 HydrophobicContact CE1-CB 3.97Å; Y167-N171 WeakPolarHBondContact CE2-ND2 3.26Å; Y167-N171 WeakPolarHBondContact O-CB 3.38Å; Y167-N171 PolarHBondContact O-N 2.78Å; Y167-N171 PolarHBondContact O-ND2 2.96Å; Y167-N171 VanDerWaalsContact O-ND2 3.13Å; V168-N171 CarbonylContact O-C 3.59Å; V168-N171 PolarHBondContact O-N 2.66Å; N171-S173 PolarHBondContact O-N 2.91Å; N171-V174 HydrophobicContact CB-CG2 3.9Å; N171-V174 PolarHBondContact O-N 2.83Å
172P94.3Very high95.5Very high97 Ų9745.9 Ų45.963%0.6325%0.251SS*.THydrogen-bonded Turntrans-67-10.7-171.927.5-37000114.5V168 Q170V168-P172 WeakPolarHBondContact O-CA 3.32Å; V168-P172 VanDerWaalsContact O-N 3.14Å; Q170-P172 VanDerWaalsContact C-CD 3.5Å
173S92.9Very high95.4Very high116 Ų11646 Ų4681%0.81125%0.251SS*.THydrogen-bonded Turntrans-86.9-12.4178.555.60000114.1N171N171-S173 PolarHBondContact O-N 2.91Å
174V93.3Very high95.3Very high61 Ų6146 Ų4637%0.3725%0.251SS..THydrogen-bonded Turntrans-87-37.3-173.2-177.10000112.1Y167 N171Y167-V174 HydrophobicContact CE1-CB 4.22Å; Y167-V174 HydrophobicContact CE1-CG1 4.18Å; Y167-V174 HydrophobicContact CE1-CG2 4.46Å; N171-V174 HydrophobicContact CB-CG2 3.9Å; N171-V174 PolarHBondContact O-N 2.83Å
175F93.5Very high95.2Very high8 Ų846 Ų464%0.03525%0.251CS..  trans-132148.3-179.4-61.1-75.4000110.4F136 Y167 V168 S177 E180 A181 L184 L226 L230F136-F175 HydrophobicContact CB-CE2 4.15Å; F136-F175 HydrophobicContact CB-CZ 4.16Å; F136-F175 HydrophobicContact CD1-CZ 4.34Å; F136-F175 AromaticContact CD2-CE2 3.37Å; F136-F175 HydrophobicContact CD2-CE2 3.37Å; F136-F175 AromaticContact CD2-CZ 3.57Å; F136-F175 HydrophobicContact CD2-CZ 3.57Å; F136-F175 AromaticContact CE2-CE2 3.88Å; F136-F175 HydrophobicContact CE2-CE2 3.88Å; F136-F175 AromaticContact CE2-CZ 3.91Å; F136-F175 HydrophobicContact CE2-CZ 3.91Å; F136-F175 AromaticContact CG-CE2 3.9Å; F136-F175 HydrophobicContact CG-CE2 3.9Å; F136-F175 AromaticContact CG-CZ 3.75Å; F136-F175 HydrophobicContact CG-CZ 3.75Å; F136-F175 HydrophobicContact CZ-CZ 4.44Å; Y167-F175 HydrophobicContact CD1-CD2 4.04Å; Y167-F175 AromaticContact CD1-CE2 3.84Å; Y167-F175 HydrophobicContact CD1-CE2 3.84Å; Y167-F175 AromaticContact CE1-CD2 3.94Å; Y167-F175 HydrophobicContact CE1-CD2 3.94Å; Y167-F175 AromaticContact CE1-CE2 3.56Å; Y167-F175 HydrophobicContact CE1-CE2 3.56Å; V168-F175 HydrophobicContact CG2-CB 4.01Å; V168-F175 HydrophobicContact CG2-CD2 4Å; V168-F175 HydrophobicContact CG2-CG 4.4Å; F175-S177 VanDerWaalsContact C-N 3.33Å; F175-E180 HydrophobicContact CB-CB 4.24Å; F175-E180 HydrophobicContact CD1-CB 3.84Å; F175-E180 HydrophobicContact CG-CB 4.38Å; F175-A181 HydrophobicContact CD2-CB 3.76Å; F175-A181 HydrophobicContact CE2-CB 3.92Å; F175-A181 HydrophobicContact CG-CB 4.07Å; F175-A181 HydrophobicContact CZ-CB 4.38Å; F175-L184 HydrophobicContact CE1-CD2 3.69Å; F175-L184 HydrophobicContact CZ-CD2 3.71Å; F175-L226 HydrophobicContact CD1-CD2 3.87Å; F175-L226 HydrophobicContact CE1-CD2 3.66Å; F175-L230 HydrophobicContact CE1-CD2 3.81Å; F175-L230 HydrophobicContact CZ-CD2 4Å
176N92.1Very high95Very high118 Ų11844.3 Ų44.363%0.63124%0.241SC*.SBendtrans-76.4-25.1177-54.9-63.4000112.1E180N176-E180 PolarHBondContact N-OE2 3.06Å; N176-E180 PolarHBondContact ND2-OE1 2.97Å; N176-E180 PolarHBondContact ND2-OE2 3.22Å
177S93.5Very high94.8Very high36 Ų3642.8 Ų42.825%0.25224%0.237SC..SBendtrans-150156.3179.271.30000112.1F175 H179 E180F175-S177 VanDerWaalsContact C-N 3.33Å; S177-H179 PolarHBondContact O-N 2.66Å; S177-H179 PolarHBondContact OG-N 2.84Å; S177-E180 PolarHBondContact O-N 2.79Å; S177-E180 PolarHBondContact OG-N 2.92Å
178P95.2Very high94.6Very high56 Ų5642.7 Ų42.736%0.36424%0.237SC..Hα-helixtrans-56.5-28.1169.4-26.736.1000113.8S164 E165 V168 A181 Y182S164-P178 WeakPolarHBondContact CB-O 3.41Å; E165-P178 HydrophobicContact CG-CB 4.08Å; V168-P178 HydrophobicContact CB-CG 4.39Å; V168-P178 HydrophobicContact CG1-CG 4.32Å; P178-A181 PolarHBondContact O-N 2.87Å; P178-Y182 WeakPolarHBondContact O-CB 3.43Å; P178-Y182 PolarHBondContact O-N 3.03Å
179H94.1Very high94.3Very high73 Ų7342.9 Ų42.934%0.33824%0.237SC..Hα-helixtrans-63.5-40.9178.1-178.463.5000112.2S177 A181 Y182 V183 D221S177-H179 PolarHBondContact O-N 2.66Å; S177-H179 PolarHBondContact OG-N 2.84Å; H179-A181 PolarHBondContact O-N 2.85Å; H179-Y182 WeakPolarHBondContact O-CB 3.49Å; H179-Y182 PolarHBondContact O-N 3.46Å; H179-V183 WeakPolarHBondContact O-CG2 3.22Å; H179-V183 PolarHBondContact O-N 3.32Å; H179-D221 IonicContact CD2-OD2 2.78Å; H179-D221 IonicContact CE1-OD2 3.16Å; H179-D221 IonicContact NE2-OD2 2.72Å; H179-D221 PolarHBondContact NE2-OD2 3.38Å
180E94.7Very high93.9Very high5 Ų540 Ų402%0.02323%0.225CC..Hα-helixtrans-60.5-44.7175.4-71.5178.9171.900112F175 N176 S177 Y182 V183 L184 T224 N225 L226F175-E180 HydrophobicContact CB-CB 4.24Å; F175-E180 HydrophobicContact CD1-CB 3.84Å; F175-E180 HydrophobicContact CG-CB 4.38Å; N176-E180 PolarHBondContact N-OE2 3.06Å; N176-E180 PolarHBondContact ND2-OE1 2.97Å; N176-E180 PolarHBondContact ND2-OE2 3.22Å; S177-E180 PolarHBondContact O-N 2.79Å; S177-E180 PolarHBondContact OG-N 2.92Å; E180-Y182 VanDerWaalsContact C-N 3.33Å; E180-Y182 PolarHBondContact O-N 3.12Å; E180-V183 PolarHBondContact O-N 2.97Å; E180-L184 WeakPolarHBondContact O-CB 3.47Å; E180-L184 PolarHBondContact O-N 3.48Å; E180-T224 HydrophobicContact CG-CG2 4.38Å; E180-N225 WeakPolarHBondContact OE1-CA 3.37Å; E180-N225 WeakPolarHBondContact OE1-CB 3.35Å; E180-N225 PolarHBondContact OE1-N 3.1Å; E180-L226 HydrophobicContact CB-CD2 3.92Å; E180-L226 HydrophobicContact CG-CD2 4.49Å
181A96.1Very high93.6Very high0 Ų038 Ų380%022%0.216CC..Hα-helixtrans-64.7-37.4176.500000112F136 V168 F175 P178 H179 S185F136-A181 HydrophobicContact CE2-CB 3.99Å; F136-A181 WeakPolarHBondContact CZ-O 3.32Å; V168-A181 HydrophobicContact CG2-CB 3.79Å; F175-A181 HydrophobicContact CD2-CB 3.76Å; F175-A181 HydrophobicContact CE2-CB 3.92Å; F175-A181 HydrophobicContact CG-CB 4.07Å; F175-A181 HydrophobicContact CZ-CB 4.38Å; P178-A181 PolarHBondContact O-N 2.87Å; H179-A181 PolarHBondContact O-N 2.85Å; A181-S185 WeakPolarHBondContact O-CB 3.34Å; A181-S185 PolarHBondContact O-N 3.06Å; A181-S185 PolarHBondContact O-OG 3.02Å
182Y96.2Very high93.3Very high44 Ų4438.8 Ų38.817%0.17322%0.22CC..Hα-helixtrans-64.8-51.1175.8167.1-89.3000111.8D157 L160 T161 S164 P178 H179 E180 L184 S185 Y186D157-Y182 WeakPolarHBondContact OD1-CE2 3.47Å; D157-Y182 PolarHBondContact OD1-OH 3.25Å; L160-Y182 HydrophobicContact CB-CD2 4.01Å; L160-Y182 HydrophobicContact CB-CE2 4.13Å; T161-Y182 WeakPolarHBondContact OG1-CD2 3.23Å; T161-Y182 WeakPolarHBondContact OG1-CE2 3.13Å; S164-Y182 WeakPolarHBondContact OG-CA 3.48Å; S164-Y182 PolarHBondContact OG-N 3.02Å; S164-Y182 VanDerWaalsContact OG-N 3.15Å; P178-Y182 WeakPolarHBondContact O-CB 3.43Å; P178-Y182 PolarHBondContact O-N 3.03Å; H179-Y182 WeakPolarHBondContact O-CB 3.49Å; H179-Y182 PolarHBondContact O-N 3.46Å; E180-Y182 VanDerWaalsContact C-N 3.33Å; E180-Y182 PolarHBondContact O-N 3.12Å; Y182-L184 VanDerWaalsContact C-N 3.28Å; Y182-L184 PolarHBondContact O-N 3.04Å; Y182-S185 WeakPolarHBondContact O-CB 3.18Å; Y182-S185 PolarHBondContact O-N 3.49Å; Y182-S185 VanDerWaalsContact O-N 3.14Å; Y182-Y186 PolarHBondContact O-N 3.13Å
183V94.7Very high92.8Very high8 Ų835 Ų355%0.04820%0.195CC..Hα-helixtrans-58.6-44.3179.21700000110.3H179 E180 Y186 A187 M217 F220 T224H179-V183 WeakPolarHBondContact O-CG2 3.22Å; H179-V183 PolarHBondContact O-N 3.32Å; E180-V183 PolarHBondContact O-N 2.97Å; V183-Y186 PolarHBondContact O-N 3.4Å; V183-A187 WeakPolarHBondContact O-CB 3.39Å; V183-A187 PolarHBondContact O-N 2.85Å; V183-M217 HydrophobicContact CG1-CE 4.09Å; V183-F220 HydrophobicContact CG1-CD1 3.62Å; V183-F220 HydrophobicContact CG1-CE1 3.74Å; V183-F220 HydrophobicContact CG2-CE1 4.13Å; V183-T224 HydrophobicContact CB-CG2 4.33Å; V183-T224 HydrophobicContact CG1-CG2 4.4Å; V183-T224 HydrophobicContact CG2-CG2 4.07Å
184L95.3Very high92.5Very high0 Ų029.8 Ų29.80%016%0.158CC..Hα-helixtrans-66.6-39.6177.5-173.259.4000112.5F136 F175 E180 Y182 Y186 A187 V188 M217 L226 L230 V231 I234F136-L184 HydrophobicContact CD1-CD2 3.87Å; F136-L184 HydrophobicContact CD1-CG 4.29Å; F136-L184 HydrophobicContact CE1-CB 4.16Å; F136-L184 HydrophobicContact CE1-CD2 3.65Å; F136-L184 HydrophobicContact CE1-CG 3.61Å; F136-L184 HydrophobicContact CZ-CB 4.07Å; F136-L184 HydrophobicContact CZ-CD2 4.12Å; F136-L184 HydrophobicContact CZ-CG 4.05Å; F175-L184 HydrophobicContact CE1-CD2 3.69Å; F175-L184 HydrophobicContact CZ-CD2 3.71Å; E180-L184 WeakPolarHBondContact O-CB 3.47Å; E180-L184 PolarHBondContact O-N 3.48Å; Y182-L184 VanDerWaalsContact C-N 3.28Å; Y182-L184 PolarHBondContact O-N 3.04Å; L184-Y186 VanDerWaalsContact C-N 3.33Å; L184-Y186 PolarHBondContact O-N 2.79Å; L184-A187 PolarHBondContact O-N 3.3Å; L184-V188 WeakPolarHBondContact O-CB 3.44Å; L184-V188 VanDerWaalsContact O-CG2 3.26Å; L184-V188 WeakPolarHBondContact O-CG2 2.94Å; L184-V188 PolarHBondContact O-N 2.94Å; L184-M217 HydrophobicContact CD1-CE 3.92Å; L184-L226 HydrophobicContact CB-CD1 4.33Å; L184-L226 HydrophobicContact CB-CD2 4.44Å; L184-L226 HydrophobicContact CD2-CD2 4.26Å; L184-L230 HydrophobicContact CD2-CD2 3.99Å; L184-L230 HydrophobicContact CD2-CG 4.36Å; L184-V231 HydrophobicContact CD1-CG2 4.27Å; L184-I234 HydrophobicContact CD1-CD1 3.97Å; L184-I234 HydrophobicContact CD2-CD1 3.54Å; L184-I234 HydrophobicContact CG-CD1 3.93Å
185S96Very high92.2Very high0 Ų028.7 Ų28.70%015%0.15CC..Hα-helixtrans-58.9-47174.6-630000110.9F136 A181 Y182 V188 I189F136-S185 VanDerWaalsContact CZ-OG 3.23Å; F136-S185 WeakPolarHBondContact CZ-OG 3.27Å; A181-S185 WeakPolarHBondContact O-CB 3.34Å; A181-S185 PolarHBondContact O-N 3.06Å; A181-S185 PolarHBondContact O-OG 3.02Å; Y182-S185 WeakPolarHBondContact O-CB 3.18Å; Y182-S185 PolarHBondContact O-N 3.49Å; Y182-S185 VanDerWaalsContact O-N 3.14Å; S185-V188 WeakPolarHBondContact O-CB 3.46Å; S185-V188 PolarHBondContact O-N 2.9Å; S185-I189 WeakPolarHBondContact O-CG1 3.41Å; S185-I189 PolarHBondContact O-N 3Å; S185-I189 VanDerWaalsContact O-N 3.11Å
186Y92.4Very high91.8Very high71 Ų7131.5 Ų31.528%0.27816%0.163SC..Hα-helixtrans-61.9-46.7178.7-162.9-81.5000111.6L160 Y182 V183 L184 V188 I189 L190 L427L160-Y186 HydrophobicContact CD1-CD2 4Å; Y182-Y186 PolarHBondContact O-N 3.13Å; V183-Y186 PolarHBondContact O-N 3.4Å; L184-Y186 VanDerWaalsContact C-N 3.33Å; L184-Y186 PolarHBondContact O-N 2.79Å; Y186-V188 PolarHBondContact O-N 2.9Å; Y186-I189 PolarHBondContact O-N 3.24Å; Y186-I189 VanDerWaalsContact O-N 3.16Å; Y186-L190 PolarHBondContact O-N 3.27Å; Y186-L427 HydrophobicContact CE1-CD2 4.4Å; Y186-L427 HydrophobicContact CE2-CD1 4.11Å; Y186-L427 WeakPolarHBondContact OH-CD1 3.34Å; Y186-L427 WeakPolarHBondContact OH-CD2 3.17Å
187A93Very high90.9Very high9 Ų927.7 Ų27.77%0.07414%0.143CC..Hα-helixtrans-59.3-36.7176.600000112.3V183 L184 L190 L191 F213 M217V183-A187 WeakPolarHBondContact O-CB 3.39Å; V183-A187 PolarHBondContact O-N 2.85Å; L184-A187 PolarHBondContact O-N 3.3Å; A187-L190 PolarHBondContact O-N 3.03Å; A187-L191 WeakPolarHBondContact O-CB 3.23Å; A187-L191 PolarHBondContact O-N 3.46Å; A187-F213 HydrophobicContact CB-CE2 4.29Å; A187-F213 HydrophobicContact CB-CZ 4.14Å; A187-M217 HydrophobicContact CB-CE 3.79Å; A187-M217 HydrophobicContact CB-SD 3.33Å; A187-M217 WeakPolarHBondContact CB-SD 3.43Å
188V93.7Very high89.3Confident0 Ų032.4 Ų32.40%016%0.164CC..Hα-helixtrans-65.4-42.9175.5165.10000112.1L137 L140 L184 S185 Y186 L191 N192 I234 I238 L243L137-V188 HydrophobicContact CD1-CG1 4.09Å; L140-V188 HydrophobicContact CD2-CB 4.07Å; L140-V188 HydrophobicContact CD2-CG1 3.72Å; L184-V188 WeakPolarHBondContact O-CB 3.44Å; L184-V188 VanDerWaalsContact O-CG2 3.26Å; L184-V188 WeakPolarHBondContact O-CG2 2.94Å; L184-V188 PolarHBondContact O-N 2.94Å; S185-V188 WeakPolarHBondContact O-CB 3.46Å; S185-V188 PolarHBondContact O-N 2.9Å; Y186-V188 PolarHBondContact O-N 2.9Å; V188-L191 PolarHBondContact O-N 3.25Å; V188-N192 WeakPolarHBondContact O-CB 3.16Å; V188-N192 PolarHBondContact O-N 3.13Å; V188-I234 HydrophobicContact CG2-CG2 3.32Å; V188-I238 HydrophobicContact CG1-CD1 3.77Å; V188-I238 HydrophobicContact CG1-CG1 4.11Å; V188-L243 HydrophobicContact CG1-CD1 3.92Å; V188-L243 HydrophobicContact CG1-CD2 3.63Å; V188-L243 HydrophobicContact CG1-CG 4.03Å
189I89.8Confident87.5Confident20 Ų2035.8 Ų35.810%0.10318%0.179CC..Hα-helixtrans-60.1-46.7174-58.8-52000110.8L144 L149 L160 S185 Y186 N192 T193 L243L144-I189 HydrophobicContact CD1-CD1 3.59Å; L149-I189 HydrophobicContact CD2-CD1 4.33Å; L160-I189 HydrophobicContact CD1-CG1 4.27Å; S185-I189 WeakPolarHBondContact O-CG1 3.41Å; S185-I189 PolarHBondContact O-N 3Å; S185-I189 VanDerWaalsContact O-N 3.11Å; Y186-I189 PolarHBondContact O-N 3.24Å; Y186-I189 VanDerWaalsContact O-N 3.16Å; I189-N192 PolarHBondContact O-N 2.73Å; I189-T193 PolarHBondContact O-N 3.43Å; I189-T193 VanDerWaalsContact O-N 3.13Å; I189-T193 PolarHBondContact O-OG1 2.85Å; I189-T193 VanDerWaalsContact O-OG1 3.11Å; I189-L243 HydrophobicContact CD1-CD1 3.4Å
190L88.2Confident85.8Confident68 Ų6833 Ų3336%0.35617%0.168SC..Hα-helixtrans-64.3-41.3179.3-178.562.5000111.8Y186 A187 T193 T194 L207Y186-L190 PolarHBondContact O-N 3.27Å; A187-L190 PolarHBondContact O-N 3.03Å; L190-T193 WeakPolarHBondContact O-CB 3.35Å; L190-T193 PolarHBondContact O-N 3.33Å; L190-T194 WeakPolarHBondContact O-CB 3.44Å; L190-T194 PolarHBondContact O-N 2.82Å; L190-T194 PolarHBondContact O-OG1 3.43Å; L190-L207 HydrophobicContact CD2-CD1 3.86Å; L190-L207 HydrophobicContact CG-CD1 4.29Å
191L91.7Very high83.7Confident0 Ų040.5 Ų40.50%020%0.201CC..Hα-helixtrans-65.2-43.7177.5-178.964.5000111.4A187 V188 T193 T194 L195 F213 Y235 I238A187-L191 WeakPolarHBondContact O-CB 3.23Å; A187-L191 PolarHBondContact O-N 3.46Å; V188-L191 PolarHBondContact O-N 3.25Å; L191-T193 VanDerWaalsContact C-N 3.29Å; L191-T193 PolarHBondContact O-N 3.13Å; L191-T194 WeakPolarHBondContact O-CB 3.47Å; L191-T194 PolarHBondContact O-N 3.12Å; L191-T194 VanDerWaalsContact O-N 3.15Å; L191-L195 HydrophobicContact CD1-CD1 3.7Å; L191-L195 HydrophobicContact CD1-CG 3.87Å; L191-L195 HydrophobicContact CD2-CD1 4.32Å; L191-L195 HydrophobicContact CG-CD1 3.81Å; L191-L195 HydrophobicContact CG-CG 4.26Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 WeakPolarHBondContact O-CG 3.44Å; L191-L195 PolarHBondContact O-N 3.28Å; L191-F213 HydrophobicContact CB-CD2 4.48Å; L191-F213 HydrophobicContact CB-CE2 3.88Å; L191-F213 HydrophobicContact CB-CZ 4.26Å; L191-F213 HydrophobicContact CD1-CD2 3.89Å; L191-F213 HydrophobicContact CD1-CE2 4.11Å; L191-F213 HydrophobicContact CD1-CG 4.28Å; L191-F213 HydrophobicContact CD2-CD1 4.45Å; L191-F213 HydrophobicContact CD2-CD2 4.48Å; L191-F213 HydrophobicContact CD2-CE1 4.06Å; L191-F213 HydrophobicContact CD2-CE2 4.12Å; L191-F213 HydrophobicContact CD2-CZ 3.9Å; L191-F213 HydrophobicContact CG-CE2 4.25Å; L191-Y235 HydrophobicContact CD1-CD2 3.69Å; L191-Y235 HydrophobicContact CD1-CE2 3.74Å; L191-Y235 HydrophobicContact CD2-CD2 3.66Å; L191-Y235 HydrophobicContact CD2-CE2 4.46Å; L191-Y235 HydrophobicContact CD2-CG 4.19Å; L191-Y235 HydrophobicContact CG-CD2 4.32Å; L191-I238 HydrophobicContact CD2-CB 4Å; L191-I238 HydrophobicContact CD2-CG1 4.37Å; L191-I238 HydrophobicContact CD2-CG2 4.12Å; L191-I238 HydrophobicContact CG-CG2 4.07Å
192N89.5Confident81.4Confident25 Ų2545.9 Ų45.913%0.13424%0.239CC..Hα-helixtrans-57.6-46.3177.1-179.877.6000111.1V188 I189 T194 L195 H196 I238 P242 L243V188-N192 WeakPolarHBondContact O-CB 3.16Å; V188-N192 PolarHBondContact O-N 3.13Å; I189-N192 PolarHBondContact O-N 2.73Å; N192-T194 PolarHBondContact O-N 2.75Å; N192-L195 PolarHBondContact O-N 3.1Å; N192-H196 WeakPolarHBondContact O-CB 3.31Å; N192-H196 PolarHBondContact O-N 3.4Å; N192-H196 PolarHBondContact OD1-CD2 2.8Å; N192-I238 HydrophobicContact CB-CG2 4.15Å; N192-P242 VanDerWaalsContact OD1-CA 3.28Å; N192-P242 WeakPolarHBondContact OD1-CA 3.22Å; N192-L243 HydrophobicContact CB-CB 4.39Å; N192-L243 HydrophobicContact CB-CD1 3.63Å; N192-L243 HydrophobicContact CB-CG 3.92Å; N192-L243 PolarHBondContact OD1-N 3.04Å
193T84Confident79.3Confident16 Ų1651.7 Ų51.710%0.09827%0.267CS..Hα-helixtrans-58.5-48.1174.3-62.70000111.4I189 L190 L191 L195 N197 A200 V433I189-T193 PolarHBondContact O-N 3.43Å; I189-T193 VanDerWaalsContact O-N 3.13Å; I189-T193 PolarHBondContact O-OG1 2.85Å; I189-T193 VanDerWaalsContact O-OG1 3.11Å; L190-T193 WeakPolarHBondContact O-CB 3.35Å; L190-T193 PolarHBondContact O-N 3.33Å; L191-T193 VanDerWaalsContact C-N 3.29Å; L191-T193 PolarHBondContact O-N 3.13Å; T193-L195 VanDerWaalsContact C-N 3.33Å; T193-L195 PolarHBondContact O-N 3.15Å; T193-N197 HydrophobicContact CG2-CB 4.36Å; T193-N197 WeakPolarHBondContact O-CB 3.42Å; T193-N197 PolarHBondContact O-N 2.7Å; T193-N197 VanDerWaalsContact O-N 3.07Å; T193-A200 HydrophobicContact CG2-CB 4.27Å; T193-A200 WeakPolarHBondContact O-CB 3.36Å; T193-V433 HydrophobicContact CG2-CG1 3.23Å
194T86.1Confident77.5Confident7 Ų753.7 Ų53.74%0.04328%0.277CS..Hα-helixtrans-59.3-40.7-179.4-65.70000112.6L190 L191 N192 N204 L207 A208L190-T194 WeakPolarHBondContact O-CB 3.44Å; L190-T194 PolarHBondContact O-N 2.82Å; L190-T194 PolarHBondContact O-OG1 3.43Å; L191-T194 WeakPolarHBondContact O-CB 3.47Å; L191-T194 PolarHBondContact O-N 3.12Å; L191-T194 VanDerWaalsContact O-N 3.15Å; N192-T194 PolarHBondContact O-N 2.75Å; T194-N204 HydrophobicContact CG2-CB 4.06Å; T194-N204 PolarHBondContact O-ND2 3.4Å; T194-L207 HydrophobicContact CG2-CB 4.1Å; T194-A208 HydrophobicContact CG2-CB 4.05Å
195L87.5Confident75.9Confident38 Ų3860.6 Ų60.620%0.19931%0.314CS..Hα-helixtrans-87.8-36.7-173.9-66.7-179.7000113.5L191 N192 T193 A208 Y235 I238 K239L191-L195 HydrophobicContact CD1-CD1 3.7Å; L191-L195 HydrophobicContact CD1-CG 3.87Å; L191-L195 HydrophobicContact CD2-CD1 4.32Å; L191-L195 HydrophobicContact CG-CD1 3.81Å; L191-L195 HydrophobicContact CG-CG 4.26Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 WeakPolarHBondContact O-CG 3.44Å; L191-L195 PolarHBondContact O-N 3.28Å; N192-L195 PolarHBondContact O-N 3.1Å; T193-L195 VanDerWaalsContact C-N 3.33Å; T193-L195 PolarHBondContact O-N 3.15Å; L195-A208 HydrophobicContact CD2-CB 4.28Å; L195-Y235 HydrophobicContact CD1-CE2 4.44Å; L195-I238 HydrophobicContact CD1-CG2 4.2Å; L195-K239 HydrophobicContact CD1-CB 3.83Å; L195-K239 HydrophobicContact CD1-CG 4.32Å
196H83.7Confident74.8Confident68 Ų6862 Ų6232%0.31533%0.329SS..Hα-helixtrans-113-15-167.5-60.4-60.9000115N192 I238 P242N192-H196 WeakPolarHBondContact O-CB 3.31Å; N192-H196 PolarHBondContact O-N 3.4Å; N192-H196 PolarHBondContact OD1-CD2 2.8Å; H196-I238 PolarHBondContact CE1-O 2.59Å; H196-I238 PolarHBondContact NE2-O 2.86Å; H196-P242 HydrophobicContact CB-CB 4.39Å; H196-P242 HydrophobicContact CB-CG 4.41Å
197N73.2Confident74.3Confident37 Ų3759.7 Ų59.720%0.19832%0.321CS..  trans-86.3115.8173.6-167.8-32000110.3T193 N199 A200 V433T193-N197 HydrophobicContact CG2-CB 4.36Å; T193-N197 WeakPolarHBondContact O-CB 3.42Å; T193-N197 PolarHBondContact O-N 2.7Å; T193-N197 VanDerWaalsContact O-N 3.07Å; N197-N199 PolarHBondContact O-N 2.85Å; N197-N199 VanDerWaalsContact O-N 3.16Å; N197-N199 WeakPolarHBondContact OD1-CB 3.28Å; N197-N199 PolarHBondContact OD1-N 2.87Å; N197-A200 HydrophobicContact CB-CB 4.02Å; N197-A200 WeakPolarHBondContact O-CB 3.44Å; N197-A200 PolarHBondContact O-N 2.87Å; N197-V433 WeakPolarHBondContact ND2-CG1 3.28Å
198I60Low73.9Confident136 Ų13661.5 Ų61.570%0.69734%0.335SS*.G310 helixtrans-56.9-33.4-179.3-61.9171.4000111.3A200I198-A200 VanDerWaalsContact C-N 3.34Å
199N58.5Low73.7Confident127 Ų12767.5 Ų67.568%0.67936%0.363SS*.G310 helixtrans-76.9-20-179.4-60.3-30.9000112.9N197 K201 S202N197-N199 PolarHBondContact O-N 2.85Å; N197-N199 VanDerWaalsContact O-N 3.16Å; N197-N199 WeakPolarHBondContact OD1-CB 3.28Å; N197-N199 PolarHBondContact OD1-N 2.87Å; N199-K201 VanDerWaalsContact C-N 3.28Å; N199-K201 PolarHBondContact O-N 3.06Å; N199-S202 PolarHBondContact O-OG 3.44Å
200A58.1Low73.9Confident14 Ų1468.8 Ų68.812%0.11637%0.369CS..G310 helixtrans-72.4-21-178.600000112.9T193 N197 I198 S202 Q203 N204T193-A200 HydrophobicContact CG2-CB 4.27Å; T193-A200 WeakPolarHBondContact O-CB 3.36Å; N197-A200 HydrophobicContact CB-CB 4.02Å; N197-A200 WeakPolarHBondContact O-CB 3.44Å; N197-A200 PolarHBondContact O-N 2.87Å; I198-A200 VanDerWaalsContact C-N 3.34Å; A200-S202 PolarHBondContact O-N 3.29Å; A200-Q203 PolarHBondContact O-N 2.81Å; A200-Q203 VanDerWaalsContact O-N 3.1Å; A200-N204 PolarHBondContact O-ND2 3.24Å; A200-N204 PolarHBondContact O-OD1 2.83Å
201K49.9Very low74.1Confident163 Ų16374 Ų7471%0.70939%0.389SS*.G310 helixtrans-55.5-21-175.2-69.2-175.3178.1179.60114.4N199N199-K201 VanDerWaalsContact C-N 3.28Å; N199-K201 PolarHBondContact O-N 3.06Å
202S48.4Very low74.1Confident113 Ų11375.2 Ų75.279%0.7940%0.396SS*.G310 helixtrans-81.5-13.3-177.6-8.20000115.1N199 A200N199-S202 PolarHBondContact O-OG 3.44Å; A200-S202 PolarHBondContact O-N 3.29Å
203Q51.8Low74.2Confident166 Ų16674.3 Ų74.378%0.77639%0.391SS*.SBendtrans-138.114.8-167.9-143.1172.48.100115.7A200A200-Q203 PolarHBondContact O-N 2.81Å; A200-Q203 VanDerWaalsContact O-N 3.1Å
204N57.6Low74.7Confident49 Ų4973.9 Ų73.926%0.26239%0.388SS..  trans-83.9127.8-170.2-64.8-28.5000112.3T194 A200 G206T194-N204 HydrophobicContact CG2-CB 4.06Å; T194-N204 PolarHBondContact O-ND2 3.4Å; A200-N204 PolarHBondContact O-ND2 3.24Å; A200-N204 PolarHBondContact O-OD1 2.83Å; N204-G206 PolarHBondContact O-N 3.04Å
205L61.4Low75Confident146 Ų14679.8 Ų79.876%0.76441%0.41SS*.  trans-62.935.2176.2-7785.2000114.2L207L205-L207 HydrophobicContact CB-CD1 4.47Å; L205-L207 HydrophobicContact CB-CG 4.13Å; L205-L207 PolarHBondContact O-N 3.26Å
206G72.6Confident75.2Confident30 Ų3079.9 Ų79.931%0.30942%0.416SS..SBendtrans66.54.7-17200000114N204 A208 E209 T212N204-G206 PolarHBondContact O-N 3.04Å; G206-A208 PolarHBondContact O-N 3.38Å; G206-E209 WeakPolarHBondContact O-CB 3.44Å; G206-E209 PolarHBondContact O-N 3.18Å; G206-T212 VanDerWaalsContact O-CB 3.31Å; G206-T212 WeakPolarHBondContact O-CB 3.05Å; G206-T212 WeakPolarHBondContact O-CG2 3.13Å
207L82.1Confident75.5Confident22 Ų2277.1 Ų77.112%0.11540%0.404CS..THydrogen-bonded Turntrans-61.9-14.2178.5-61.7177.8000113.2L190 T194 L205 E209 F213 A216L190-L207 HydrophobicContact CD2-CD1 3.86Å; L190-L207 HydrophobicContact CG-CD1 4.29Å; T194-L207 HydrophobicContact CG2-CB 4.1Å; L205-L207 HydrophobicContact CB-CD1 4.47Å; L205-L207 HydrophobicContact CB-CG 4.13Å; L205-L207 PolarHBondContact O-N 3.26Å; L207-E209 PolarHBondContact O-N 3.29Å; L207-F213 HydrophobicContact CD2-CD2 4.22Å; L207-A216 HydrophobicContact CD2-CB 4.08Å
208A84Confident76.4Confident46 Ų4678.8 Ų78.838%0.3841%0.411SS..THydrogen-bonded Turntrans-66.3-16.2170.300000112.7T194 L195 G206 Y235T194-A208 HydrophobicContact CG2-CB 4.05Å; L195-A208 HydrophobicContact CD2-CB 4.28Å; G206-A208 PolarHBondContact O-N 3.38Å; A208-Y235 PolarHBondContact O-OH 3.37Å
209E90Very high77.7Confident126 Ų12679.1 Ų79.159%0.58941%0.41SS*.SBendtrans-96.1128.9174.4-61.4-178.7170.600111.4G206 L207 K211 T212 F213G206-E209 WeakPolarHBondContact O-CB 3.44Å; G206-E209 PolarHBondContact O-N 3.18Å; L207-E209 PolarHBondContact O-N 3.29Å; E209-K211 VanDerWaalsContact C-N 3.31Å; E209-K211 PolarHBondContact O-N 2.77Å; E209-T212 PolarHBondContact O-N 3.26Å; E209-T212 VanDerWaalsContact O-N 3.09Å; E209-T212 PolarHBondContact OE2-OG1 3.11Å; E209-F213 PolarHBondContact O-N 2.92Å
210E92.9Very high79Confident48 Ų4878.8 Ų78.822%0.22440%0.402CS..Hα-helixtrans-51.5-47.7-178.6-173.8172.6134.700112.4T212 F213 V214 R232 Y235 R236E210-T212 VanDerWaalsContact C-N 3.33Å; E210-T212 PolarHBondContact O-N 2.65Å; E210-F213 PolarHBondContact O-N 2.87Å; E210-V214 HydrophobicContact CG-CG2 4.41Å; E210-V214 WeakPolarHBondContact O-CB 3.41Å; E210-V214 VanDerWaalsContact O-CG2 3.25Å; E210-V214 WeakPolarHBondContact O-CG2 3.35Å; E210-V214 PolarHBondContact O-N 2.96Å; E210-R232 VanDerWaalsContact OE1-CG 3.25Å; E210-R232 WeakPolarHBondContact OE1-CG 3.23Å; E210-R232 IonicContact OE1-NE 3.18Å; E210-Y235 VanDerWaalsContact CA-CZ 3.45Å; E210-Y235 HydrophobicContact CB-CD1 3.71Å; E210-Y235 HydrophobicContact CB-CE1 3.39Å; E210-Y235 HydrophobicContact CB-CE2 4.4Å; E210-Y235 HydrophobicContact CB-CG 4.38Å; E210-Y235 HydrophobicContact CG-CD1 3.55Å; E210-Y235 HydrophobicContact CG-CE1 3.8Å; E210-Y235 HydrophobicContact CG-CG 4.13Å; E210-Y235 PolarHBondContact N-OH 2.98Å; E210-R236 IonicContact OE1-CZ 3.71Å; E210-R236 IonicContact OE1-NE 3.11Å; E210-R236 PolarHBondContact OE1-NE 2.86Å; E210-R236 VanDerWaalsContact OE1-NE 3.14Å; E210-R236 IonicContact OE1-NH2 3.41Å; E210-R236 PolarHBondContact OE1-NH2 3.39Å; E210-R236 IonicContact OE2-NE 3.97Å; E210-R236 PolarHBondContact OE2-NE 3.05Å; E210-R236 IonicContact OE2-NH2 3.48Å
211K92.9Very high80Confident178 Ų17879.6 Ų79.677%0.77441%0.405SS*.Hα-helixtrans-63.4-39.6-178.1-68.8-174.7178.2-177.10112.5E209 R215E209-K211 VanDerWaalsContact C-N 3.31Å; E209-K211 PolarHBondContact O-N 2.77Å; K211-R215 WeakPolarHBondContact O-CB 3.47Å; K211-R215 PolarHBondContact O-N 3.18Å
212T91.5Very high81.5Confident24 Ų2480.8 Ų80.815%0.14741%0.413CS..Hα-helixtrans-71.6-42.3-179-61.60000110.5G206 E209 E210 A216G206-T212 VanDerWaalsContact O-CB 3.31Å; G206-T212 WeakPolarHBondContact O-CB 3.05Å; G206-T212 WeakPolarHBondContact O-CG2 3.13Å; E209-T212 PolarHBondContact O-N 3.26Å; E209-T212 VanDerWaalsContact O-N 3.09Å; E209-T212 PolarHBondContact OE2-OG1 3.11Å; E210-T212 VanDerWaalsContact C-N 3.33Å; E210-T212 PolarHBondContact O-N 2.65Å; T212-A216 VanDerWaalsContact O-CB 3.29Å; T212-A216 WeakPolarHBondContact O-CB 3.26Å; T212-A216 PolarHBondContact O-N 3.21Å
213F92.5Very high83Confident6 Ų681.1 Ų81.13%0.02640%0.402CS..Hα-helixtrans-62.1-48.6174.5179-97.9000112.4A187 L191 L207 E209 E210 A216 M217 V231 Y235A187-F213 HydrophobicContact CB-CE2 4.29Å; A187-F213 HydrophobicContact CB-CZ 4.14Å; L191-F213 HydrophobicContact CB-CD2 4.48Å; L191-F213 HydrophobicContact CB-CE2 3.88Å; L191-F213 HydrophobicContact CB-CZ 4.26Å; L191-F213 HydrophobicContact CD1-CD2 3.89Å; L191-F213 HydrophobicContact CD1-CE2 4.11Å; L191-F213 HydrophobicContact CD1-CG 4.28Å; L191-F213 HydrophobicContact CD2-CD1 4.45Å; L191-F213 HydrophobicContact CD2-CD2 4.48Å; L191-F213 HydrophobicContact CD2-CE1 4.06Å; L191-F213 HydrophobicContact CD2-CE2 4.12Å; L191-F213 HydrophobicContact CD2-CZ 3.9Å; L191-F213 HydrophobicContact CG-CE2 4.25Å; L207-F213 HydrophobicContact CD2-CD2 4.22Å; E209-F213 PolarHBondContact O-N 2.92Å; E210-F213 PolarHBondContact O-N 2.87Å; F213-A216 PolarHBondContact O-N 3.3Å; F213-M217 HydrophobicContact CD1-CG 4.47Å; F213-M217 HydrophobicContact CE1-CG 4.06Å; F213-M217 HydrophobicContact CE2-CG 4.34Å; F213-M217 HydrophobicContact CZ-CG 3.97Å; F213-M217 HydrophobicContact CZ-SD 4.46Å; F213-M217 WeakPolarHBondContact O-CG 3.46Å; F213-M217 PolarHBondContact O-N 3.27Å; F213-V231 HydrophobicContact CD1-CG1 4Å; F213-V231 HydrophobicContact CE1-CG1 3.63Å; F213-Y235 HydrophobicContact CB-CD2 3.83Å; F213-Y235 HydrophobicContact CB-CE2 4.09Å; F213-Y235 AromaticContact CD1-CD2 3.65Å; F213-Y235 HydrophobicContact CD1-CD2 3.65Å; F213-Y235 HydrophobicContact CD1-CG 4.21Å; F213-Y235 HydrophobicContact CE1-CD2 4.38Å; F213-Y235 AromaticContact CG-CD2 3.78Å; F213-Y235 HydrophobicContact CG-CD2 3.78Å; F213-Y235 HydrophobicContact CG-CE2 4.43Å
214V93.4Very high84.5Confident7 Ų774 Ų744%0.04237%0.37CS..Hα-helixtrans-61-48.3179.41720000110.7E210 A216 M217 M218 E228 V231 R232E210-V214 HydrophobicContact CG-CG2 4.41Å; E210-V214 WeakPolarHBondContact O-CB 3.41Å; E210-V214 VanDerWaalsContact O-CG2 3.25Å; E210-V214 WeakPolarHBondContact O-CG2 3.35Å; E210-V214 PolarHBondContact O-N 2.96Å; V214-A216 VanDerWaalsContact C-N 3.34Å; V214-A216 PolarHBondContact O-N 3.37Å; V214-M217 PolarHBondContact O-N 3.16Å; V214-M218 HydrophobicContact CG1-CG 4.37Å; V214-M218 WeakPolarHBondContact O-CG 3.34Å; V214-M218 PolarHBondContact O-N 3.13Å; V214-E228 HydrophobicContact CG1-CG 3.46Å; V214-E228 VanDerWaalsContact CG1-CG 3.46Å; V214-V231 HydrophobicContact CG2-CG1 4.15Å; V214-R232 HydrophobicContact CG2-CB 4.25Å
215R92.2Very high85.9Confident131 Ų13177.5 Ų77.549%0.49439%0.389SS..Hα-helixtrans-58.4-46.5176.8-177.518063.6-127.4-8111.7K211 M217 M218 E219K211-R215 WeakPolarHBondContact O-CB 3.47Å; K211-R215 PolarHBondContact O-N 3.18Å; R215-M217 VanDerWaalsContact C-N 3.27Å; R215-M217 PolarHBondContact O-N 3.2Å; R215-M218 PolarHBondContact O-N 3.02Å; R215-E219 WeakPolarHBondContact CD-OE1 3.45Å; R215-E219 VanDerWaalsContact CG-CD 3.45Å; R215-E219 HydrophobicContact CG-CG 4.26Å; R215-E219 WeakPolarHBondContact CG-OE1 3.24Å; R215-E219 WeakPolarHBondContact O-CB 3.41Å; R215-E219 WeakPolarHBondContact O-CG 3.5Å; R215-E219 PolarHBondContact O-N 3.34Å
216A91.8Very high87.3Confident40 Ų4071.1 Ų71.133%0.33136%0.355SS..Hα-helixtrans-58.9-39.317900000112.1L207 T212 F213 V214 F220L207-A216 HydrophobicContact CD2-CB 4.08Å; T212-A216 VanDerWaalsContact O-CB 3.29Å; T212-A216 WeakPolarHBondContact O-CB 3.26Å; T212-A216 PolarHBondContact O-N 3.21Å; F213-A216 PolarHBondContact O-N 3.3Å; V214-A216 VanDerWaalsContact C-N 3.34Å; V214-A216 PolarHBondContact O-N 3.37Å; A216-F220 WeakPolarHBondContact O-CA 3.38Å; A216-F220 WeakPolarHBondContact O-CB 3.17Å; A216-F220 PolarHBondContact O-N 2.78Å; A216-F220 VanDerWaalsContact O-N 3.07Å
217M91.8Very high88.2Confident11 Ų1172.8 Ų72.85%0.05436%0.362CS..Hα-helixtrans-69.1-39.1176-73.6-62.2-6400113.2V183 L184 A187 F213 V214 R215 E219 L226 V231V183-M217 HydrophobicContact CG1-CE 4.09Å; L184-M217 HydrophobicContact CD1-CE 3.92Å; A187-M217 HydrophobicContact CB-CE 3.79Å; A187-M217 HydrophobicContact CB-SD 3.33Å; A187-M217 WeakPolarHBondContact CB-SD 3.43Å; F213-M217 HydrophobicContact CD1-CG 4.47Å; F213-M217 HydrophobicContact CE1-CG 4.06Å; F213-M217 HydrophobicContact CE2-CG 4.34Å; F213-M217 HydrophobicContact CZ-CG 3.97Å; F213-M217 HydrophobicContact CZ-SD 4.46Å; F213-M217 WeakPolarHBondContact O-CG 3.46Å; F213-M217 PolarHBondContact O-N 3.27Å; V214-M217 PolarHBondContact O-N 3.16Å; R215-M217 VanDerWaalsContact C-N 3.27Å; R215-M217 PolarHBondContact O-N 3.2Å; M217-E219 VanDerWaalsContact C-N 3.28Å; M217-E219 PolarHBondContact O-N 3.26Å; M217-L226 HydrophobicContact CE-CD1 3.42Å; M217-L226 VanDerWaalsContact CE-CD1 3.42Å; M217-V231 HydrophobicContact CB-CG1 3.87Å; M217-V231 HydrophobicContact CB-CG2 4.37Å; M217-V231 HydrophobicContact CG-CG1 3.84Å
218M90.6Very high88.7Confident71 Ų7176.1 Ų76.135%0.3538%0.377SS..Hα-helixtrans-70.8-25.1177.9-60.8-61.591.100112.7V214 R215 L226 E228 V231V214-M218 HydrophobicContact CG1-CG 4.37Å; V214-M218 WeakPolarHBondContact O-CG 3.34Å; V214-M218 PolarHBondContact O-N 3.13Å; R215-M218 PolarHBondContact O-N 3.02Å; M218-L226 HydrophobicContact CE-CB 3.96Å; M218-L226 WeakPolarHBondContact CE-O 3.41Å; M218-E228 HydrophobicContact SD-CB 3.99Å; M218-E228 HydrophobicContact SD-CG 4.37Å; M218-V231 HydrophobicContact CE-CB 4.36Å; M218-V231 HydrophobicContact CE-CG2 3.69Å
219E88.9Confident89.2Confident143 Ų14379.3 Ų79.367%0.66839%0.388SS*.THydrogen-bonded Turntrans-99.80.1-179.9-66.4173.1-177.500113R215 M217R215-E219 WeakPolarHBondContact CD-OE1 3.45Å; R215-E219 VanDerWaalsContact CG-CD 3.45Å; R215-E219 HydrophobicContact CG-CG 4.26Å; R215-E219 WeakPolarHBondContact CG-OE1 3.24Å; R215-E219 WeakPolarHBondContact O-CB 3.41Å; R215-E219 WeakPolarHBondContact O-CG 3.5Å; R215-E219 PolarHBondContact O-N 3.34Å; M217-E219 VanDerWaalsContact C-N 3.28Å; M217-E219 PolarHBondContact O-N 3.26Å
220F84.6Confident89.4Confident120 Ų12075.3 Ų75.353%0.52637%0.37SS..SBendtrans-69.5-50.9-168.8-178.7-103.9000113.1V183 A216V183-F220 HydrophobicContact CG1-CD1 3.62Å; V183-F220 HydrophobicContact CG1-CE1 3.74Å; V183-F220 HydrophobicContact CG2-CE1 4.13Å; A216-F220 WeakPolarHBondContact O-CA 3.38Å; A216-F220 WeakPolarHBondContact O-CB 3.17Å; A216-F220 PolarHBondContact O-N 2.78Å; A216-F220 VanDerWaalsContact O-N 3.07Å
221D80.1Confident89.5Confident32 Ų3273 Ų7317%0.17136%0.359CS..  trans-147.6125.8-174.2-175.55.2000110H179 E223 T224H179-D221 IonicContact CD2-OD2 2.78Å; H179-D221 IonicContact CE1-OD2 3.16Å; H179-D221 IonicContact NE2-OD2 2.72Å; H179-D221 PolarHBondContact NE2-OD2 3.38Å; D221-E223 PolarHBondContact O-N 2.95Å; D221-E223 PolarHBondContact OD1-N 3.23Å; D221-E223 VanDerWaalsContact OD1-N 3.11Å; D221-T224 HydrophobicContact CB-CG2 3.84Å; D221-T224 PolarHBondContact O-N 3Å; D221-T224 PolarHBondContact O-OG1 3.26Å
222E80Confident89.7Confident188 Ų18867.8 Ų67.888%0.87934%0.335SS*.THydrogen-bonded Turntrans-61.2-23.6178.4-65179.7173.300112.1T224E222-T224 VanDerWaalsContact C-N 3.31Å
223E79.9Confident89.9Confident119 Ų11971.6 Ų71.656%0.55635%0.349SS*.THydrogen-bonded Turntrans-82.5-9.1177.7-63.4174.7-154.800112.7D221 R418D221-E223 PolarHBondContact O-N 2.95Å; D221-E223 PolarHBondContact OD1-N 3.23Å; D221-E223 VanDerWaalsContact OD1-N 3.11Å; E223-R418 IonicContact OE1-CZ 3.68Å; E223-R418 IonicContact OE1-NH2 3.45Å; E223-R418 PolarHBondContact OE1-NH2 3.44Å
224T83.3Confident90Very high17 Ų1771.5 Ų71.510%0.10435%0.349CS..  trans-99.1115.6178.761.80000111.6E180 V183 D221 E222E180-T224 HydrophobicContact CG-CG2 4.38Å; V183-T224 HydrophobicContact CB-CG2 4.33Å; V183-T224 HydrophobicContact CG1-CG2 4.4Å; V183-T224 HydrophobicContact CG2-CG2 4.07Å; D221-T224 HydrophobicContact CB-CG2 3.84Å; D221-T224 PolarHBondContact O-N 3Å; D221-T224 PolarHBondContact O-OG1 3.26Å; E222-T224 VanDerWaalsContact C-N 3.31Å
225N88.6Confident90.1Very high123 Ų12371.2 Ų71.266%0.65835%0.347SS*.  trans-10654178.1-170.732.8000110.9E180E180-N225 WeakPolarHBondContact OE1-CA 3.37Å; E180-N225 WeakPolarHBondContact OE1-CB 3.35Å; E180-N225 PolarHBondContact OE1-N 3.1Å
226L89.7Confident90.3Very high12 Ų1271.3 Ų71.36%0.06335%0.348CS..  trans-71.2135.3-179.3-68.4173.8000111.2F175 E180 L184 M217 M218 E228 V231F175-L226 HydrophobicContact CD1-CD2 3.87Å; F175-L226 HydrophobicContact CE1-CD2 3.66Å; E180-L226 HydrophobicContact CB-CD2 3.92Å; E180-L226 HydrophobicContact CG-CD2 4.49Å; L184-L226 HydrophobicContact CB-CD1 4.33Å; L184-L226 HydrophobicContact CB-CD2 4.44Å; L184-L226 HydrophobicContact CD2-CD2 4.26Å; M217-L226 HydrophobicContact CE-CD1 3.42Å; M217-L226 VanDerWaalsContact CE-CD1 3.42Å; M218-L226 HydrophobicContact CE-CB 3.96Å; M218-L226 WeakPolarHBondContact CE-O 3.41Å; L226-E228 PolarHBondContact O-N 2.88Å; L226-V231 HydrophobicContact CB-CG2 4.13Å; L226-V231 HydrophobicContact CD1-CG2 4.43Å
227S91.3Very high90.4Very high65 Ų6571.1 Ų71.146%0.45535%0.346SS..  trans-66.5127.61731740000111.4D229 L230 V231S227-D229 PolarHBondContact O-N 3.42Å; S227-D229 PolarHBondContact OG-N 3.4Å; S227-L230 WeakPolarHBondContact O-CB 3.42Å; S227-L230 PolarHBondContact O-N 3.03Å; S227-L230 VanDerWaalsContact O-N 3.11Å; S227-V231 PolarHBondContact O-N 2.95Å; S227-V231 VanDerWaalsContact O-N 3.08Å
228E93.2Very high90.5Very high92 Ų9270.6 Ų70.643%0.4334%0.343SS..Hα-helixtrans-55.5-38.4175.6-166.7-175148.100111.9V214 M218 L226 V231 R232V214-E228 HydrophobicContact CG1-CG 3.46Å; V214-E228 VanDerWaalsContact CG1-CG 3.46Å; M218-E228 HydrophobicContact SD-CB 3.99Å; M218-E228 HydrophobicContact SD-CG 4.37Å; L226-E228 PolarHBondContact O-N 2.88Å; E228-V231 PolarHBondContact O-N 3.38Å; E228-R232 VanDerWaalsContact O-CB 3.24Å; E228-R232 WeakPolarHBondContact O-CB 3.33Å; E228-R232 PolarHBondContact O-N 2.91Å; E228-R232 IonicContact OE1-CZ 3.99Å; E228-R232 IonicContact OE1-NH1 2.78Å; E228-R232 IonicContact OE1-NH2 2.61Å; E228-R232 PolarHBondContact OE1-NH2 3.04Å
229D94.5Very high90.6Very high112 Ų11272.9 Ų72.960%0.59935%0.351SS*.Hα-helixtrans-68-38179.1-74.5-31.7000112.3S227 R232 K233S227-D229 PolarHBondContact O-N 3.42Å; S227-D229 PolarHBondContact OG-N 3.4Å; D229-R232 IonicContact OD1-NH1 3.95Å; D229-R232 PolarHBondContact OD1-NH1 3.12Å; D229-K233 VanDerWaalsContact O-CB 3.28Å; D229-K233 WeakPolarHBondContact O-CB 3.36Å; D229-K233 PolarHBondContact O-N 3.05Å
230L94.2Very high90.7Very high42 Ų4272 Ų7222%0.2236%0.356CS..Hα-helixtrans-63.4-49.9174.3176.562.5000110.9F175 L184 S227 R232 K233 I234F175-L230 HydrophobicContact CE1-CD2 3.81Å; F175-L230 HydrophobicContact CZ-CD2 4Å; L184-L230 HydrophobicContact CD2-CD2 3.99Å; L184-L230 HydrophobicContact CD2-CG 4.36Å; S227-L230 WeakPolarHBondContact O-CB 3.42Å; S227-L230 PolarHBondContact O-N 3.03Å; S227-L230 VanDerWaalsContact O-N 3.11Å; L230-R232 VanDerWaalsContact C-N 3.31Å; L230-R232 PolarHBondContact O-N 3.39Å; L230-K233 WeakPolarHBondContact O-CB 3.29Å; L230-K233 PolarHBondContact O-N 3.41Å; L230-I234 HydrophobicContact CD1-CD1 3.91Å; L230-I234 HydrophobicContact CD1-CG1 4.34Å; L230-I234 HydrophobicContact CG-CD1 4.01Å; L230-I234 WeakPolarHBondContact O-CG1 3.44Å; L230-I234 PolarHBondContact O-N 3.4Å
231V95.2Very high91Very high0 Ų071.1 Ų71.10%035%0.353CS..Hα-helixtrans-59.7-43.7179.31760000110.7L184 F213 V214 M217 M218 L226 S227 E228 I234 Y235L184-V231 HydrophobicContact CD1-CG2 4.27Å; F213-V231 HydrophobicContact CD1-CG1 4Å; F213-V231 HydrophobicContact CE1-CG1 3.63Å; V214-V231 HydrophobicContact CG2-CG1 4.15Å; M217-V231 HydrophobicContact CB-CG1 3.87Å; M217-V231 HydrophobicContact CB-CG2 4.37Å; M217-V231 HydrophobicContact CG-CG1 3.84Å; M218-V231 HydrophobicContact CE-CB 4.36Å; M218-V231 HydrophobicContact CE-CG2 3.69Å; L226-V231 HydrophobicContact CB-CG2 4.13Å; L226-V231 HydrophobicContact CD1-CG2 4.43Å; S227-V231 PolarHBondContact O-N 2.95Å; S227-V231 VanDerWaalsContact O-N 3.08Å; E228-V231 PolarHBondContact O-N 3.38Å; V231-I234 PolarHBondContact O-N 2.94Å; V231-Y235 PolarHBondContact O-N 2.93Å
232R96.1Very high91.4Very high69 Ų6971.1 Ų71.126%0.2636%0.355SS..Hα-helixtrans-63.6-44.1176.4-177.7179.6-73138.31.1112.4E210 V214 E228 D229 L230 I234 Y235 R236E210-R232 VanDerWaalsContact OE1-CG 3.25Å; E210-R232 WeakPolarHBondContact OE1-CG 3.23Å; E210-R232 IonicContact OE1-NE 3.18Å; V214-R232 HydrophobicContact CG2-CB 4.25Å; E228-R232 VanDerWaalsContact O-CB 3.24Å; E228-R232 WeakPolarHBondContact O-CB 3.33Å; E228-R232 PolarHBondContact O-N 2.91Å; E228-R232 IonicContact OE1-CZ 3.99Å; E228-R232 IonicContact OE1-NH1 2.78Å; E228-R232 IonicContact OE1-NH2 2.61Å; E228-R232 PolarHBondContact OE1-NH2 3.04Å; D229-R232 IonicContact OD1-NH1 3.95Å; D229-R232 PolarHBondContact OD1-NH1 3.12Å; L230-R232 VanDerWaalsContact C-N 3.31Å; L230-R232 PolarHBondContact O-N 3.39Å; R232-I234 VanDerWaalsContact C-N 3.33Å; R232-I234 PolarHBondContact O-N 3.46Å; R232-Y235 PolarHBondContact O-N 2.89Å; R232-R236 WeakPolarHBondContact O-CG 3.46Å; R232-R236 PolarHBondContact O-N 2.91Å; R232-R236 VanDerWaalsContact O-N 3.11Å
233K95.7Very high91.7Very high103 Ų10362.6 Ų62.645%0.44832%0.316SS..Hα-helixtrans-58.5-47.2176.7-173.9-173.1-175.7-168.60110.5E135 D229 L230 R236 A237E135-K233 IonicContact OE1-NZ 3.14Å; E135-K233 PolarHBondContact OE1-NZ 3.23Å; E135-K233 IonicContact OE2-NZ 3.21Å; E135-K233 PolarHBondContact OE2-NZ 3.33Å; D229-K233 VanDerWaalsContact O-CB 3.28Å; D229-K233 WeakPolarHBondContact O-CB 3.36Å; D229-K233 PolarHBondContact O-N 3.05Å; L230-K233 WeakPolarHBondContact O-CB 3.29Å; L230-K233 PolarHBondContact O-N 3.41Å; K233-R236 PolarHBondContact O-N 2.8Å; K233-A237 WeakPolarHBondContact O-CB 3.49Å; K233-A237 PolarHBondContact O-N 3.2Å
234I95.5Very high91.4Very high5 Ų558.8 Ų58.83%0.02630%0.296CS..Hα-helixtrans-62-45.6178-73.7171.6000111.4F136 L137 L184 V188 L230 V231 R232 R236 A237 I238F136-I234 HydrophobicContact CD1-CD1 3.84Å; F136-I234 HydrophobicContact CE1-CD1 4.28Å; L137-I234 HydrophobicContact CB-CG1 4.28Å; L184-I234 HydrophobicContact CD1-CD1 3.97Å; L184-I234 HydrophobicContact CD2-CD1 3.54Å; L184-I234 HydrophobicContact CG-CD1 3.93Å; V188-I234 HydrophobicContact CG2-CG2 3.32Å; L230-I234 HydrophobicContact CD1-CD1 3.91Å; L230-I234 HydrophobicContact CD1-CG1 4.34Å; L230-I234 HydrophobicContact CG-CD1 4.01Å; L230-I234 WeakPolarHBondContact O-CG1 3.44Å; L230-I234 PolarHBondContact O-N 3.4Å; V231-I234 PolarHBondContact O-N 2.94Å; R232-I234 VanDerWaalsContact C-N 3.33Å; R232-I234 PolarHBondContact O-N 3.46Å; I234-R236 VanDerWaalsContact C-N 3.31Å; I234-R236 PolarHBondContact O-N 2.93Å; I234-A237 PolarHBondContact O-N 2.84Å; I234-I238 HydrophobicContact CG2-CG1 4.31Å; I234-I238 WeakPolarHBondContact O-CG1 3.34Å; I234-I238 PolarHBondContact O-N 3.34Å
235Y95.2Very high90.3Very high1 Ų160.2 Ų60.20%0.00431%0.305CS..Hα-helixtrans-56.2-47.4178.1173.2-81.2000111.5L191 L195 A208 E210 F213 V231 R232 A237 I238 K239L191-Y235 HydrophobicContact CD1-CD2 3.69Å; L191-Y235 HydrophobicContact CD1-CE2 3.74Å; L191-Y235 HydrophobicContact CD2-CD2 3.66Å; L191-Y235 HydrophobicContact CD2-CE2 4.46Å; L191-Y235 HydrophobicContact CD2-CG 4.19Å; L191-Y235 HydrophobicContact CG-CD2 4.32Å; L195-Y235 HydrophobicContact CD1-CE2 4.44Å; A208-Y235 PolarHBondContact O-OH 3.37Å; E210-Y235 VanDerWaalsContact CA-CZ 3.45Å; E210-Y235 HydrophobicContact CB-CD1 3.71Å; E210-Y235 HydrophobicContact CB-CE1 3.39Å; E210-Y235 HydrophobicContact CB-CE2 4.4Å; E210-Y235 HydrophobicContact CB-CG 4.38Å; E210-Y235 HydrophobicContact CG-CD1 3.55Å; E210-Y235 HydrophobicContact CG-CE1 3.8Å; E210-Y235 HydrophobicContact CG-CG 4.13Å; E210-Y235 PolarHBondContact N-OH 2.98Å; F213-Y235 HydrophobicContact CB-CD2 3.83Å; F213-Y235 HydrophobicContact CB-CE2 4.09Å; F213-Y235 AromaticContact CD1-CD2 3.65Å; F213-Y235 HydrophobicContact CD1-CD2 3.65Å; F213-Y235 HydrophobicContact CD1-CG 4.21Å; F213-Y235 HydrophobicContact CE1-CD2 4.38Å; F213-Y235 AromaticContact CG-CD2 3.78Å; F213-Y235 HydrophobicContact CG-CD2 3.78Å; F213-Y235 HydrophobicContact CG-CE2 4.43Å; V231-Y235 PolarHBondContact O-N 2.93Å; R232-Y235 PolarHBondContact O-N 2.89Å; Y235-A237 VanDerWaalsContact C-N 3.34Å; Y235-A237 PolarHBondContact O-N 3.42Å; Y235-I238 PolarHBondContact O-N 2.85Å; Y235-K239 HydrophobicContact CE1-CD 3.87Å; Y235-K239 VanDerWaalsContact O-CB 3.31Å; Y235-K239 WeakPolarHBondContact O-CB 3.49Å; Y235-K239 PolarHBondContact O-N 2.9Å
236R95.8Very high88.3Confident133 Ų13360.3 Ų60.350%0.50231%0.31SS..Hα-helixtrans-65-38.9179.4-68.9176.7-178.1176.83.6112.2E210 R232 K233 I234 K239 T240E210-R236 IonicContact OE1-CZ 3.71Å; E210-R236 IonicContact OE1-NE 3.11Å; E210-R236 PolarHBondContact OE1-NE 2.86Å; E210-R236 VanDerWaalsContact OE1-NE 3.14Å; E210-R236 IonicContact OE1-NH2 3.41Å; E210-R236 PolarHBondContact OE1-NH2 3.39Å; E210-R236 IonicContact OE2-NE 3.97Å; E210-R236 PolarHBondContact OE2-NE 3.05Å; E210-R236 IonicContact OE2-NH2 3.48Å; R232-R236 WeakPolarHBondContact O-CG 3.46Å; R232-R236 PolarHBondContact O-N 2.91Å; R232-R236 VanDerWaalsContact O-N 3.11Å; K233-R236 PolarHBondContact O-N 2.8Å; I234-R236 VanDerWaalsContact C-N 3.31Å; I234-R236 PolarHBondContact O-N 2.93Å; R236-K239 PolarHBondContact O-N 3.49Å; R236-T240 PolarHBondContact O-N 2.88Å; R236-T240 VanDerWaalsContact O-N 3.09Å; R236-T240 PolarHBondContact O-OG1 2.92Å
237A94.9Very high86.1Confident35 Ų3564 Ų6429%0.28934%0.337SS..Hα-helixtrans-66.2-47.4177.600000111.8L137 K233 I234 Y235 K239 T240 E241L137-A237 HydrophobicContact CD2-CB 3.4Å; K233-A237 WeakPolarHBondContact O-CB 3.49Å; K233-A237 PolarHBondContact O-N 3.2Å; I234-A237 PolarHBondContact O-N 2.84Å; Y235-A237 VanDerWaalsContact C-N 3.34Å; Y235-A237 PolarHBondContact O-N 3.42Å; A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K239 PolarHBondContact O-N 2.87Å; A237-T240 PolarHBondContact O-N 3.31Å; A237-E241 PolarHBondContact O-N 3.2Å
238I93.3Very high83.8Confident0 Ų062.9 Ų62.90%033%0.326CS..Hα-helixtrans-62-42.8175.2-65.4-59.5000110.6L137 V188 L191 N192 L195 H196 I234 Y235 T240 E241 L243L137-I238 HydrophobicContact CD1-CD1 3.67Å; L137-I238 HydrophobicContact CD1-CG1 4.39Å; L137-I238 HydrophobicContact CD2-CD1 4.18Å; L137-I238 HydrophobicContact CD2-CG1 4.38Å; V188-I238 HydrophobicContact CG1-CD1 3.77Å; V188-I238 HydrophobicContact CG1-CG1 4.11Å; L191-I238 HydrophobicContact CD2-CB 4Å; L191-I238 HydrophobicContact CD2-CG1 4.37Å; L191-I238 HydrophobicContact CD2-CG2 4.12Å; L191-I238 HydrophobicContact CG-CG2 4.07Å; N192-I238 HydrophobicContact CB-CG2 4.15Å; L195-I238 HydrophobicContact CD1-CG2 4.2Å; H196-I238 PolarHBondContact CE1-O 2.59Å; H196-I238 PolarHBondContact NE2-O 2.86Å; I234-I238 HydrophobicContact CG2-CG1 4.31Å; I234-I238 WeakPolarHBondContact O-CG1 3.34Å; I234-I238 PolarHBondContact O-N 3.34Å; Y235-I238 PolarHBondContact O-N 2.85Å; I238-T240 PolarHBondContact O-N 2.9Å; I238-E241 WeakPolarHBondContact CA-O 3.24Å; I238-E241 CarbonylContact O-C 3.3Å; I238-E241 VanDerWaalsContact O-C 3.3Å; I238-E241 PolarHBondContact O-N 3.45Å; I238-L243 HydrophobicContact CD1-CD2 3.86Å; I238-L243 HydrophobicContact CD1-CG 3.94Å
239K92.1Very high81.3Confident119 Ų11962.3 Ų62.352%0.51733%0.326SS..Hα-helixtrans-58.7-33.8176.9-174.5173-178.4172.30113.2L195 Y235 R236 A237L195-K239 HydrophobicContact CD1-CB 3.83Å; L195-K239 HydrophobicContact CD1-CG 4.32Å; Y235-K239 HydrophobicContact CE1-CD 3.87Å; Y235-K239 VanDerWaalsContact O-CB 3.31Å; Y235-K239 WeakPolarHBondContact O-CB 3.49Å; Y235-K239 PolarHBondContact O-N 2.9Å; R236-K239 PolarHBondContact O-N 3.49Å; A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K239 PolarHBondContact O-N 2.87Å
240T92.3Very high78.3Confident124 Ų12461.8 Ų61.876%0.76133%0.331SS*.Hα-helixtrans-79.8-40.7179.2-54.20000111.7R236 A237 I238R236-T240 PolarHBondContact O-N 2.88Å; R236-T240 VanDerWaalsContact O-N 3.09Å; R236-T240 PolarHBondContact O-OG1 2.92Å; A237-T240 PolarHBondContact O-N 3.31Å; I238-T240 PolarHBondContact O-N 2.9Å
241E89.9Confident75.3Confident102 Ų10262.9 Ų62.948%0.47734%0.342SS..SBendtrans-137.7120.7-174.9-174.8179.4-170.700110.9R141 A237 I238R141-E241 PolarHBondContact NH1-O 3.15Å; R141-E241 PolarHBondContact NH2-O 3.37Å; A237-E241 PolarHBondContact O-N 3.2Å; I238-E241 WeakPolarHBondContact CA-O 3.24Å; I238-E241 CarbonylContact O-C 3.3Å; I238-E241 VanDerWaalsContact O-C 3.3Å; I238-E241 PolarHBondContact O-N 3.45Å
242P88.7Confident72.2Confident33 Ų3367.3 Ų67.321%0.21437%0.369CS..  trans-60.6153.6175.3-15.425.8000112.1R141 N192 H196 R244R141-P242 VanDerWaalsContact NH1-C 3.28Å; R141-P242 PolarHBondContact NH1-O 3.12Å; N192-P242 VanDerWaalsContact OD1-CA 3.28Å; N192-P242 WeakPolarHBondContact OD1-CA 3.22Å; H196-P242 HydrophobicContact CB-CB 4.39Å; H196-P242 HydrophobicContact CB-CG 4.41Å; P242-R244 VanDerWaalsContact C-N 3.26Å; P242-R244 PolarHBondContact O-N 2.81Å
243L85.6Confident68.9Low9 Ų970 Ų705%0.04740%0.397CS..SBendtrans-50.8-43-179.1-86.6173000113.8L137 R141 L144 V188 I189 N192 I238L137-L243 HydrophobicContact CD1-CD2 4.25Å; R141-L243 HydrophobicContact CG-CD2 4.21Å; R141-L243 VanDerWaalsContact NH1-CA 3.27Å; R141-L243 PolarHBondContact NH1-O 3.42Å; L144-L243 HydrophobicContact CD1-CD1 4.46Å; L144-L243 HydrophobicContact CD1-CD2 4.48Å; V188-L243 HydrophobicContact CG1-CD1 3.92Å; V188-L243 HydrophobicContact CG1-CD2 3.63Å; V188-L243 HydrophobicContact CG1-CG 4.03Å; I189-L243 HydrophobicContact CD1-CD1 3.4Å; N192-L243 HydrophobicContact CB-CB 4.39Å; N192-L243 HydrophobicContact CB-CD1 3.63Å; N192-L243 HydrophobicContact CB-CG 3.92Å; N192-L243 PolarHBondContact OD1-N 3.04Å; I238-L243 HydrophobicContact CD1-CD2 3.86Å; I238-L243 HydrophobicContact CD1-CG 3.94Å
244R74.1Confident65.7Low39 Ų3967.7 Ų67.715%0.14740%0.403CS..SBendtrans-113.3130.5168.2-68.4-165.5-176.2113.713.1109.3L144 L145 F147 P242L144-R244 VanDerWaalsContact O-CZ 3.29Å; L144-R244 PolarHBondContact O-NE 3.25Å; L144-R244 PolarHBondContact O-NH2 2.88Å; L145-R244 HydrophobicContact CD2-CG 4.26Å; F147-R244 PolarHBondContact O-NH2 3.41Å; P242-R244 VanDerWaalsContact C-N 3.26Å; P242-R244 PolarHBondContact O-N 2.81Å
245P60.4Low62.5Low46 Ų4671 Ų7130%0.29943%0.426SS..  trans-66.9143172.426.5-29.8000110.2S247 D248P245-S247 PolarHBondContact O-N 3.06Å; P245-D248 PolarHBondContact O-N 3.2Å
246V47.4Very low59.4Low125 Ų12575.8 Ų75.876%0.75845%0.452SS*.THydrogen-bonded Turntrans-54.1-14-176.3179.80000113.9D248V246-D248 PolarHBondContact O-N 2.69Å
247S42.3Very low56.3Low90 Ų9073.1 Ų73.163%0.62945%0.445SS*.THydrogen-bonded Turntrans-67.4-18.7173.9480000114.6P245P245-S247 PolarHBondContact O-N 3.06Å
248D43.6Very low53.8Low41 Ų4175.9 Ų75.922%0.21946%0.455CS..SBendtrans-91.2-18.7-175-103.79.3000114.7K103 P245 V246 S250K103-D248 IonicContact NZ-OD1 2.85Å; K103-D248 IonicContact NZ-OD2 3.57Å; K103-D248 PolarHBondContact NZ-OD2 2.92Å; P245-D248 PolarHBondContact O-N 3.2Å; V246-D248 PolarHBondContact O-N 2.69Å; D248-S250 VanDerWaalsContact C-N 3.25Å; D248-S250 PolarHBondContact O-N 3.22Å
249D40.4Very low51.8Low80 Ų8081.2 Ų81.243%0.42848%0.483SS..  trans-8418.6-175-74.8-22.9000114.8S251D249-S251 PolarHBondContact O-N 3.22Å
250S31Very low50.2Low101 Ų10176.7 Ų76.771%0.70647%0.471SS*.THydrogen-bonded Turntrans-75.816.9173.849.40000114D248D248-S250 VanDerWaalsContact C-N 3.25Å; D248-S250 PolarHBondContact O-N 3.22Å
251S31.3Very low49.6Very low65 Ų6573.3 Ų73.346%0.45545%0.448SS..THydrogen-bonded Turntrans-93.1-5.1-177.660.90000114.9D249 C253D249-S251 PolarHBondContact O-N 3.22Å; S251-C253 PolarHBondContact O-N 3.01Å
252V30.8Very low49.6Very low94 Ų9469.8 Ų69.857%0.5743%0.431SS*.THydrogen-bonded Turntrans-84.9107164.5-170.10000108
253C27.4Very low49.6Very low125 Ų12570.7 Ų70.785%0.84543%0.432SS*.THydrogen-bonded Turntrans8769.1-170.2-59.30000115.8S251S251-C253 PolarHBondContact O-N 3.01Å
254G26.7Very low49.8Very low55 Ų5570.7 Ų70.757%0.56743%0.434SS*.SBendtrans88.398.6141.200000116.4
255S28.8Very low50.6Low73 Ų7371.8 Ų71.851%0.5144%0.438SS..  trans78.6107.5137.465.70000119.7K263S255-K263 VanDerWaalsContact CB-NZ 3.31Å; S255-K263 PolarHBondContact O-NZ 3.4Å; S255-K263 WeakPolarHBondContact OG-CE 3.46Å; S255-K263 PolarHBondContact OG-NZ 3.39Å
256N30.4Very low52.2Low102 Ų10269.6 Ų69.655%0.54542%0.424SS..  trans59.9112.1142-62.52.9000118.8N258N256-N258 PolarHBondContact O-N 3.46Å
257Q30.4Very low54.5Low78 Ų7867.1 Ų67.136%0.36440%0.401SS..SBendtrans-53.9111.2164.4-63.8-174.1-1000111.6
258N43.7Very low56.9Low93 Ų9363.2 Ų63.250%0.49737%0.373SS..SBendtrans179.873.6131.3-101.8-22.2000105.4N256 G260 R296N256-N258 PolarHBondContact O-N 3.46Å; N258-G260 PolarHBondContact O-N 3.39Å; N258-R296 PolarHBondContact O-NH1 2.98Å; N258-R296 PolarHBondContact O-NH2 3.35Å
259N51.1Low59.1Low111 Ų11162.2 Ų62.259%0.59437%0.367SS*.  trans41.544.5166.2-70.99.4000118.8T284N259-T284 WeakPolarHBondContact O-CG2 3.15Å
260G59Low61.1Low25 Ų2558.9 Ų58.926%0.25835%0.351SS..  trans-86.998155.300000109.3N258 H262 L283N258-G260 PolarHBondContact O-N 3.39Å; G260-H262 PolarHBondContact O-N 3.1Å; G260-H262 VanDerWaalsContact O-N 3.17Å; G260-L283 CarbonylContact C-O 3.33Å; G260-L283 VanDerWaalsContact C-O 3.28Å; G260-L283 VanDerWaalsContact CA-O 3.23Å; G260-L283 WeakPolarHBondContact CA-O 3.29Å
261I79.4Confident63.2Low53 Ų5354.8 Ų54.827%0.27233%0.326SS..SBendtrans-48.8-38.1172.3-68.9-180000111.1L283 T284 E285 M367 V371I261-L283 HydrophobicContact CB-CB 4.5Å; I261-L283 HydrophobicContact CB-CD2 4.28Å; I261-L283 HydrophobicContact CB-CG 4.1Å; I261-L283 WeakPolarHBondContact CB-O 3.42Å; I261-L283 HydrophobicContact CG2-CD2 3.95Å; I261-L283 HydrophobicContact CG2-CG 4.32Å; I261-L283 PolarHBondContact N-O 2.86Å; I261-T284 WeakPolarHBondContact CD1-O 3.48Å; I261-E285 HydrophobicContact CD1-CG 4.22Å; I261-M367 HydrophobicContact CG2-CE 3.19Å; I261-V371 HydrophobicContact CD1-CG2 3.54Å; I261-V371 HydrophobicContact CG2-CG2 4.37Å
262H88.4Confident65.1Low27 Ų2762.4 Ų62.413%0.12534%0.344CS..EExtended strand (participates in β ladder)trans-152.6150.1174.2-169.666000109.2G260 L283 E363 W364 M367G260-H262 PolarHBondContact O-N 3.1Å; G260-H262 VanDerWaalsContact O-N 3.17Å; H262-L283 HydrophobicContact CB-CB 4.2Å; H262-L283 HydrophobicContact CB-CD2 4.11Å; H262-L283 WeakPolarHBondContact O-CB 3.2Å; H262-L283 PolarHBondContact O-N 3Å; H262-E363 IonicContact CE1-OE1 3.13Å; H262-E363 PolarHBondContact CE1-OE1 3.5Å; H262-E363 VanDerWaalsContact CE1-OE1 3.31Å; H262-E363 IonicContact CE1-OE2 2.66Å; H262-E363 IonicContact ND1-OE1 3.81Å; H262-W364 AromaticContact CD2-CD2 3.46Å; H262-W364 VanDerWaalsContact CD2-CD2 3.46Å; H262-W364 AromaticContact CD2-CE2 3.55Å; H262-W364 AromaticContact CD2-CE3 3.58Å; H262-W364 AromaticContact CD2-CH2 3.85Å; H262-W364 AromaticContact CD2-CZ2 3.78Å; H262-W364 AromaticContact CD2-CZ3 3.77Å; H262-W364 AromaticContact NE2-CD1 3.93Å; H262-W364 AromaticContact NE2-CD2 3.79Å; H262-W364 AromaticContact NE2-CE2 3.66Å; H262-W364 AromaticContact NE2-CG 3.99Å; H262-W364 AromaticContact NE2-NE1 3.74Å; H262-M367 HydrophobicContact CB-CB 3.99Å; H262-M367 HydrophobicContact CB-CE 4.35Å; H262-M367 HydrophobicContact CB-CG 3.98Å
263K90.3Very high67.2Low53 Ų5363.1 Ų63.123%0.2335%0.349CS..EExtended strand (participates in β ladder)trans-151.8152.5-17865.7-168.5-178.9-1680111.1S255 W280 F281 V282S255-K263 VanDerWaalsContact CB-NZ 3.31Å; S255-K263 PolarHBondContact O-NZ 3.4Å; S255-K263 WeakPolarHBondContact OG-CE 3.46Å; S255-K263 PolarHBondContact OG-NZ 3.39Å; K263-W280 HydrophobicContact CB-CZ2 3.78Å; K263-W280 HydrophobicContact CD-CZ2 3.9Å; K263-W280 HydrophobicContact CG-CH2 4.29Å; K263-W280 HydrophobicContact CG-CZ2 3.66Å; K263-F281 WeakPolarHBondContact CA-O 3.38Å; K263-F281 WeakPolarHBondContact CB-O 3.47Å; K263-V282 HydrophobicContact CB-CG2 4.36Å
264G88.4Confident69.8Low9 Ų963.8 Ų63.89%0.09334%0.337CS..EExtended strand (participates in β ladder)trans165.2171-172.600000112.7W280 F281G264-W280 VanDerWaalsContact C-CE3 3.41Å; G264-W280 VanDerWaalsContact CA-CZ3 3.43Å; G264-F281 PolarHBondContact N-O 2.94Å; G264-F281 VanDerWaalsContact N-O 3.13Å; G264-F281 PolarHBondContact O-N 3.29Å
265W92.3Very high72.6Confident61 Ų6163.4 Ų63.423%0.23133%0.326CS..EExtended strand (participates in β ladder)trans-82.4130175.7-73105.4000110.5R278 W280 L292 P294 P356W265-R278 VanDerWaalsContact CD1-NH2 3.3Å; W265-R278 HydrophobicContact CD2-CG 4.41Å; W265-R278 HydrophobicContact CE3-CG 3.64Å; W265-R278 VanDerWaalsContact CG-NH2 3.3Å; W265-R278 HydrophobicContact CZ3-CG 4.07Å; W265-W280 AromaticContact CD1-CE3 3.66Å; W265-W280 AromaticContact CD1-CZ3 3.57Å; W265-W280 AromaticContact CD2-CE3 3.78Å; W265-W280 HydrophobicContact CD2-CE3 3.78Å; W265-W280 HydrophobicContact CD2-CZ3 4.47Å; W265-W280 AromaticContact CE2-CE3 3.75Å; W265-W280 HydrophobicContact CE3-CB 4.19Å; W265-W280 HydrophobicContact CE3-CE3 4.46Å; W265-W280 AromaticContact CG-CE3 3.79Å; W265-W280 HydrophobicContact CG-CE3 3.79Å; W265-W280 HydrophobicContact CG-CZ3 4.09Å; W265-W280 HydrophobicContact CH2-CB 4.35Å; W265-W280 HydrophobicContact CZ2-CE3 4.46Å; W265-W280 HydrophobicContact CZ3-CB 4.07Å; W265-W280 AromaticContact NE1-CE3 3.62Å; W265-W280 AromaticContact NE1-CZ3 3.69Å; W265-L292 WeakPolarHBondContact CH2-O 3.42Å; W265-L292 WeakPolarHBondContact CZ3-O 2.77Å; W265-P294 HydrophobicContact CH2-CG 4.26Å; W265-P294 VanDerWaalsContact CZ2-CD 3.46Å; W265-P294 HydrophobicContact CZ2-CG 3.48Å; W265-P294 VanDerWaalsContact CZ2-CG 3.48Å; W265-P356 WeakPolarHBondContact O-CD 3.37Å
266L94.2Very high75.4Confident0 Ų062.1 Ų62.10%031%0.31CS..EExtended strand (participates in β ladder)trans-129.3155.1164.9-63.3170.7000110R279 F281 F323 M353 A355 W364L266-R279 PolarHBondContact N-O 3.33Å; L266-R279 PolarHBondContact O-N 2.92Å; L266-R279 VanDerWaalsContact O-O 3.09Å; L266-F281 HydrophobicContact CB-CD2 3.53Å; L266-F281 HydrophobicContact CB-CE2 3.62Å; L266-F281 HydrophobicContact CB-CG 4.38Å; L266-F281 HydrophobicContact CD1-CB 4.31Å; L266-F281 HydrophobicContact CD1-CD1 4.49Å; L266-F281 HydrophobicContact CD1-CD2 4.01Å; L266-F281 HydrophobicContact CD1-CE2 4.4Å; L266-F281 HydrophobicContact CD1-CG 4.03Å; L266-F281 HydrophobicContact CG-CD2 4.08Å; L266-F281 HydrophobicContact CG-CG 4.5Å; L266-F323 HydrophobicContact CD1-CE1 4.48Å; L266-F323 HydrophobicContact CD1-CZ 3.91Å; L266-F323 HydrophobicContact CD2-CE1 4.25Å; L266-F323 HydrophobicContact CD2-CZ 4.47Å; L266-M353 HydrophobicContact CD1-SD 3.9Å; L266-A355 HydrophobicContact CD2-CB 3.73Å; L266-W364 HydrophobicContact CD1-CD2 3.72Å; L266-W364 HydrophobicContact CD1-CE3 4.08Å; L266-W364 HydrophobicContact CD1-CG 4.08Å; L266-W364 HydrophobicContact CD1-CZ2 4.13Å; L266-W364 HydrophobicContact CD1-CZ3 4.47Å; L266-W364 HydrophobicContact CD2-CD2 4.38Å; L266-W364 HydrophobicContact CD2-CG 4.04Å; L266-W364 HydrophobicContact CG-CD2 4.23Å; L266-W364 HydrophobicContact CG-CG 4.4Å; L266-W364 HydrophobicContact CG-CZ2 4.23Å
267W93.8Very high78.2Confident73 Ų7362 Ų6228%0.27730%0.304SS..EExtended strand (participates in β ladder)trans-89.6136.9163.4-63.588000108.8W276 R278 R319 M353 A354W267-W276 HydrophobicContact CB-CE3 3.77Å; W267-W276 HydrophobicContact CB-CZ3 4.14Å; W267-W276 HydrophobicContact CE3-CB 4.22Å; W267-R278 HydrophobicContact CD2-CB 3.99Å; W267-R278 HydrophobicContact CD2-CG 4.29Å; W267-R278 HydrophobicContact CE3-CB 3.78Å; W267-R278 HydrophobicContact CH2-CB 3.92Å; W267-R278 HydrophobicContact CZ2-CB 4.1Å; W267-R278 HydrophobicContact CZ2-CG 4.24Å; W267-R278 HydrophobicContact CZ3-CB 3.75Å; W267-R319 VanDerWaalsContact CD2-NH2 3.32Å; W267-R319 VanDerWaalsContact CE2-NH1 3.29Å; W267-M353 CarbonylContact O-C 3.55Å; W267-M353 WeakPolarHBondContact O-CA 3.23Å; W267-A354 HydrophobicContact CB-CB 4.17Å; W267-A354 PolarHBondContact N-O 3.32Å; W267-A354 PolarHBondContact O-N 2.8Å
268K93.2Very high81.1Confident9 Ų963.8 Ų63.84%0.03931%0.308CS..EExtended strand (participates in β ladder)trans-123141.417366.8171.3-51.3-48.10111.3W276 K277 R279 F281 Y290 R352K268-W276 VanDerWaalsContact C-CE3 3.45Å; K268-W276 WeakPolarHBondContact O-CA 3.47Å; K268-K277 HydrophobicContact CG-CB 4.48Å; K268-K277 WeakPolarHBondContact CG-O 3.47Å; K268-K277 PolarHBondContact N-O 3.39Å; K268-K277 PolarHBondContact O-N 3.17Å; K268-R279 HydrophobicContact CD-CG 3.9Å; K268-R279 HydrophobicContact CG-CG 4.14Å; K268-F281 HydrophobicContact CB-CE2 4.46Å; K268-F281 HydrophobicContact CB-CZ 4.01Å; K268-F281 HydrophobicContact CD-CZ 4Å; K268-F281 HydrophobicContact CG-CZ 4.3Å; K268-Y290 HydrophobicContact CD-CD2 4.23Å; K268-Y290 HydrophobicContact CD-CE1 4.4Å; K268-Y290 HydrophobicContact CD-CE2 4.13Å; K268-Y290 HydrophobicContact CD-CG 4.44Å; K268-R352 WeakPolarHBondContact CA-O 3.4Å
269L89.7Confident83.5Confident19 Ų1961.3 Ų61.310%0.09929%0.291CS..EExtended strand (participates in β ladder)trans-78.4142.1172.8-164.359.4000110.1K274 W276 R352L269-K274 HydrophobicContact CD1-CB 4.21Å; L269-K274 HydrophobicContact CD2-CD 3.95Å; L269-K274 HydrophobicContact CG-CD 4.12Å; L269-W276 HydrophobicContact CB-CD2 4.38Å; L269-W276 HydrophobicContact CB-CE3 4.24Å; L269-W276 HydrophobicContact CB-CH2 4.48Å; L269-W276 HydrophobicContact CB-CZ3 4.3Å; L269-W276 HydrophobicContact CD1-CD2 3.98Å; L269-W276 HydrophobicContact CD1-CG 4.09Å; L269-R352 HydrophobicContact CB-CB 3.98Å; L269-R352 HydrophobicContact CD2-CB 4.33Å; L269-R352 PolarHBondContact N-O 3.09Å
270G83.5Confident85.3Confident10 Ų1057.7 Ų57.710%0.10327%0.27CS..  trans-69.9161.9171.600000112.7V273 S275G270-V273 CarbonylContact C-O 3.28Å; G270-V273 VanDerWaalsContact C-O 3.29Å; G270-V273 WeakPolarHBondContact CA-O 3.15Å; G270-S275 PolarHBondContact N-O 2.86Å
271G75.2Confident86.9Confident16 Ų1656.5 Ų56.517%0.16526%0.257CS..SBendtrans-79.1-81-177.500000110.9K274 H348G271-K274 VanDerWaalsContact O-CE 3.28Å; G271-K274 WeakPolarHBondContact O-CE 3.09Å; G271-K274 PolarHBondContact O-NZ 3.45Å; G271-H348 WeakPolarHBondContact CA-CE1 3.14Å; G271-H348 WeakPolarHBondContact CA-ND1 3.39Å; G271-H348 PolarHBondContact N-CE1 3.01Å; G271-H348 VanDerWaalsContact N-CE1 3.26Å
272R70.7Confident87.4Confident225 Ų22554 Ų5485%0.84925%0.245SC*.SBendtrans-64.8-53.1176-66.6-176.9178.8176.1-0.3112.2
273V75.2Confident87.6Confident108 Ų10852.8 Ų52.866%0.65524%0.239SC*.SBendtrans-92.6114.4174.6-177.40000107.9G270 S275G270-V273 CarbonylContact C-O 3.28Å; G270-V273 VanDerWaalsContact C-O 3.29Å; G270-V273 WeakPolarHBondContact CA-O 3.15Å; V273-S275 PolarHBondContact O-N 2.9Å
274K81.5Confident87.6Confident140 Ų14051.5 Ų51.561%0.60924%0.235SC*.  trans-77.159-179.8-61.6-59.5-175.1-171.20111.7L269 G271L269-K274 HydrophobicContact CD1-CB 4.21Å; L269-K274 HydrophobicContact CD2-CD 3.95Å; L269-K274 HydrophobicContact CG-CD 4.12Å; G271-K274 VanDerWaalsContact O-CE 3.28Å; G271-K274 WeakPolarHBondContact O-CE 3.09Å; G271-K274 PolarHBondContact O-NZ 3.45Å
275S84.9Confident87.4Confident46 Ų4655 Ų5532%0.32225%0.25SC..  trans-107138.517360.90000111.2G270 V273G270-S275 PolarHBondContact N-O 2.86Å; V273-S275 PolarHBondContact O-N 2.9Å
276W87.9Confident87.2Confident46 Ų4656.5 Ų56.517%0.17426%0.262CS..EExtended strand (participates in β ladder)trans-76.7132.3175.5-72.1102.8000110.6W267 K268 L269 T318 R319 R352 A354W267-W276 HydrophobicContact CB-CE3 3.77Å; W267-W276 HydrophobicContact CB-CZ3 4.14Å; W267-W276 HydrophobicContact CE3-CB 4.22Å; K268-W276 VanDerWaalsContact C-CE3 3.45Å; K268-W276 WeakPolarHBondContact O-CA 3.47Å; L269-W276 HydrophobicContact CB-CD2 4.38Å; L269-W276 HydrophobicContact CB-CE3 4.24Å; L269-W276 HydrophobicContact CB-CH2 4.48Å; L269-W276 HydrophobicContact CB-CZ3 4.3Å; L269-W276 HydrophobicContact CD1-CD2 3.98Å; L269-W276 HydrophobicContact CD1-CG 4.09Å; W276-T318 PolarHBondContact NE1-OG1 3.1Å; W276-R319 VanDerWaalsContact CD2-CD 3.48Å; W276-R319 HydrophobicContact CD2-CG 4.22Å; W276-R319 HydrophobicContact CG-CG 4.48Å; W276-R319 HydrophobicContact CH2-CB 4.45Å; W276-R319 HydrophobicContact CZ2-CB 4.1Å; W276-R319 HydrophobicContact CZ2-CG 4.14Å; W276-R352 HydrophobicContact CH2-CG 3.76Å; W276-R352 HydrophobicContact CZ2-CG 4.34Å; W276-A354 HydrophobicContact CH2-CB 3.94Å; W276-A354 HydrophobicContact CZ3-CB 3.86Å
277K89.6Confident87Confident100 Ų10057.2 Ų57.244%0.43527%0.267SS..EExtended strand (participates in β ladder)trans-127.7126.6177.7-61.2-171.2-179.6-172.60109.4K268K268-K277 HydrophobicContact CG-CB 4.48Å; K268-K277 WeakPolarHBondContact CG-O 3.47Å; K268-K277 PolarHBondContact N-O 3.39Å; K268-K277 PolarHBondContact O-N 3.17Å
278R92Very high86.9Confident115 Ų11553.8 Ų53.843%0.43425%0.254SS..EExtended strand (participates in β ladder)trans-73.6131.2172.2-163.7179.6178.5-156.31109.2W265 W267W265-R278 VanDerWaalsContact CD1-NH2 3.3Å; W265-R278 HydrophobicContact CD2-CG 4.41Å; W265-R278 HydrophobicContact CE3-CG 3.64Å; W265-R278 VanDerWaalsContact CG-NH2 3.3Å; W265-R278 HydrophobicContact CZ3-CG 4.07Å; W267-R278 HydrophobicContact CD2-CB 3.99Å; W267-R278 HydrophobicContact CD2-CG 4.29Å; W267-R278 HydrophobicContact CE3-CB 3.78Å; W267-R278 HydrophobicContact CH2-CB 3.92Å; W267-R278 HydrophobicContact CZ2-CB 4.1Å; W267-R278 HydrophobicContact CZ2-CG 4.24Å; W267-R278 HydrophobicContact CZ3-CB 3.75Å
279R92.2Very high86.7Confident42 Ų4254.7 Ų54.716%0.15826%0.259CS..EExtended strand (participates in β ladder)trans-140.9147.8178.6-64.9-66.7-179.5-101.412.1109.4L266 K268 F281 Y290 Y291L266-R279 PolarHBondContact N-O 3.33Å; L266-R279 PolarHBondContact O-N 2.92Å; L266-R279 VanDerWaalsContact O-O 3.09Å; K268-R279 HydrophobicContact CD-CG 3.9Å; K268-R279 HydrophobicContact CG-CG 4.14Å; R279-F281 HydrophobicContact CB-CD2 4.08Å; R279-F281 HydrophobicContact CB-CE2 3.63Å; R279-F281 HydrophobicContact CB-CZ 4.34Å; R279-F281 VanDerWaalsContact O-CD2 3.31Å; R279-F281 WeakPolarHBondContact O-CD2 3.21Å; R279-Y290 HydrophobicContact CB-CD2 4.14Å; R279-Y290 HydrophobicContact CB-CG 4.44Å; R279-Y290 HydrophobicContact CG-CD2 3.82Å; R279-Y290 HydrophobicContact CG-CE2 4.47Å; R279-Y291 WeakPolarHBondContact CA-O 3.47Å; R279-Y291 WeakPolarHBondContact CB-O 3.33Å; R279-Y291 WeakPolarHBondContact CD-O 3.32Å
280W89.8Confident86.7Confident35 Ų3554.2 Ų54.213%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-83.4120170.5179.4-103.4000108.4K263 G264 W265 Y290 Y291 P294K263-W280 HydrophobicContact CB-CZ2 3.78Å; K263-W280 HydrophobicContact CD-CZ2 3.9Å; K263-W280 HydrophobicContact CG-CH2 4.29Å; K263-W280 HydrophobicContact CG-CZ2 3.66Å; G264-W280 VanDerWaalsContact C-CE3 3.41Å; G264-W280 VanDerWaalsContact CA-CZ3 3.43Å; W265-W280 AromaticContact CD1-CE3 3.66Å; W265-W280 AromaticContact CD1-CZ3 3.57Å; W265-W280 AromaticContact CD2-CE3 3.78Å; W265-W280 HydrophobicContact CD2-CE3 3.78Å; W265-W280 HydrophobicContact CD2-CZ3 4.47Å; W265-W280 AromaticContact CE2-CE3 3.75Å; W265-W280 HydrophobicContact CE3-CB 4.19Å; W265-W280 HydrophobicContact CE3-CE3 4.46Å; W265-W280 AromaticContact CG-CE3 3.79Å; W265-W280 HydrophobicContact CG-CE3 3.79Å; W265-W280 HydrophobicContact CG-CZ3 4.09Å; W265-W280 HydrophobicContact CH2-CB 4.35Å; W265-W280 HydrophobicContact CZ2-CE3 4.46Å; W265-W280 HydrophobicContact CZ3-CB 4.07Å; W265-W280 AromaticContact NE1-CE3 3.62Å; W265-W280 AromaticContact NE1-CZ3 3.69Å; W280-Y290 CarbonylContact O-C 3.44Å; W280-Y290 VanDerWaalsContact O-CA 3.24Å; W280-Y290 WeakPolarHBondContact O-CA 3.43Å; W280-Y291 PolarHBondContact N-O 3.22Å; W280-Y291 PolarHBondContact O-N 3.05Å; W280-P294 HydrophobicContact CB-CG 4.46Å; W280-P294 VanDerWaalsContact CD1-CA 3.49Å; W280-P294 HydrophobicContact CD2-CB 3.65Å; W280-P294 HydrophobicContact CD2-CG 3.83Å; W280-P294 HydrophobicContact CE3-CB 3.98Å; W280-P294 HydrophobicContact CE3-CG 3.73Å; W280-P294 VanDerWaalsContact CG-CA 3.44Å; W280-P294 HydrophobicContact CG-CB 3.98Å; W280-P294 HydrophobicContact CG-CG 4.18Å; W280-P294 HydrophobicContact CH2-CB 4.37Å; W280-P294 HydrophobicContact CZ2-CB 4.06Å; W280-P294 HydrophobicContact CZ3-CB 4.33Å; W280-P294 HydrophobicContact CZ3-CG 4.18Å
281F93.2Very high86.9Confident0 Ų054.7 Ų54.70%026%0.255CS..EExtended strand (participates in β ladder)trans-100.3144.3-178.6-78.5-99.1000110.6K263 G264 L266 K268 R279 L288 L289 Y290 M353 W364K263-F281 WeakPolarHBondContact CA-O 3.38Å; K263-F281 WeakPolarHBondContact CB-O 3.47Å; G264-F281 PolarHBondContact N-O 2.94Å; G264-F281 VanDerWaalsContact N-O 3.13Å; G264-F281 PolarHBondContact O-N 3.29Å; L266-F281 HydrophobicContact CB-CD2 3.53Å; L266-F281 HydrophobicContact CB-CE2 3.62Å; L266-F281 HydrophobicContact CB-CG 4.38Å; L266-F281 HydrophobicContact CD1-CB 4.31Å; L266-F281 HydrophobicContact CD1-CD1 4.49Å; L266-F281 HydrophobicContact CD1-CD2 4.01Å; L266-F281 HydrophobicContact CD1-CE2 4.4Å; L266-F281 HydrophobicContact CD1-CG 4.03Å; L266-F281 HydrophobicContact CG-CD2 4.08Å; L266-F281 HydrophobicContact CG-CG 4.5Å; K268-F281 HydrophobicContact CB-CE2 4.46Å; K268-F281 HydrophobicContact CB-CZ 4.01Å; K268-F281 HydrophobicContact CD-CZ 4Å; K268-F281 HydrophobicContact CG-CZ 4.3Å; R279-F281 HydrophobicContact CB-CD2 4.08Å; R279-F281 HydrophobicContact CB-CE2 3.63Å; R279-F281 HydrophobicContact CB-CZ 4.34Å; R279-F281 VanDerWaalsContact O-CD2 3.31Å; R279-F281 WeakPolarHBondContact O-CD2 3.21Å; F281-L288 HydrophobicContact CB-CD1 4.2Å; F281-L288 HydrophobicContact CD1-CD1 3.81Å; F281-L288 HydrophobicContact CD1-CD2 3.82Å; F281-L288 HydrophobicContact CD1-CG 3.7Å; F281-L288 HydrophobicContact CE1-CD2 4.04Å; F281-L288 HydrophobicContact CE1-CG 4.24Å; F281-L288 HydrophobicContact CG-CD1 4.5Å; F281-L289 CarbonylContact C-O 3.52Å; F281-L289 WeakPolarHBondContact CA-O 3.49Å; F281-Y290 AromaticContact CE1-CD1 3.93Å; F281-Y290 HydrophobicContact CE1-CD1 3.93Å; F281-Y290 HydrophobicContact CE1-CG 4.05Å; F281-Y290 HydrophobicContact CZ-CD1 4.32Å; F281-Y290 HydrophobicContact CZ-CG 4.18Å; F281-M353 HydrophobicContact CE1-CE 3.72Å; F281-M353 HydrophobicContact CE1-SD 4.09Å; F281-M353 HydrophobicContact CZ-CE 4.13Å; F281-M353 HydrophobicContact CZ-SD 4.25Å; F281-W364 HydrophobicContact CB-CH2 3.4Å; F281-W364 HydrophobicContact CB-CZ2 3.82Å; F281-W364 HydrophobicContact CB-CZ3 4.12Å
282V90.2Very high87.3Confident1 Ų157.3 Ų57.31%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-132.5116174.1179.70000107.3K263 T284 L289 Y291 R296K263-V282 HydrophobicContact CB-CG2 4.36Å; V282-T284 HydrophobicContact CG1-CG2 4.48Å; V282-L289 PolarHBondContact N-O 3.24Å; V282-L289 PolarHBondContact O-N 3.32Å; V282-Y291 HydrophobicContact CB-CE2 4.09Å; V282-Y291 HydrophobicContact CG2-CD2 4.07Å; V282-Y291 HydrophobicContact CG2-CE2 3.72Å; V282-R296 VanDerWaalsContact CG1-NH2 3.3Å
283L92.3Very high87.5Confident0 Ų047.9 Ų47.90%023%0.232CC..EExtended strand (participates in β ladder)trans-84.8119.8172.9177.259.9000109G260 I261 H262 L288 L306 W364 M367 L368 V371G260-L283 CarbonylContact C-O 3.33Å; G260-L283 VanDerWaalsContact C-O 3.28Å; G260-L283 VanDerWaalsContact CA-O 3.23Å; G260-L283 WeakPolarHBondContact CA-O 3.29Å; I261-L283 HydrophobicContact CB-CB 4.5Å; I261-L283 HydrophobicContact CB-CD2 4.28Å; I261-L283 HydrophobicContact CB-CG 4.1Å; I261-L283 WeakPolarHBondContact CB-O 3.42Å; I261-L283 HydrophobicContact CG2-CD2 3.95Å; I261-L283 HydrophobicContact CG2-CG 4.32Å; I261-L283 PolarHBondContact N-O 2.86Å; H262-L283 HydrophobicContact CB-CB 4.2Å; H262-L283 HydrophobicContact CB-CD2 4.11Å; H262-L283 WeakPolarHBondContact O-CB 3.2Å; H262-L283 PolarHBondContact O-N 3Å; L283-L288 HydrophobicContact CB-CD1 4.2Å; L283-L288 HydrophobicContact CD1-CD1 4.44Å; L283-L306 HydrophobicContact CD1-CD1 3.26Å; L283-W364 HydrophobicContact CB-CZ3 4.2Å; L283-M367 HydrophobicContact CD2-CB 3.71Å; L283-L368 HydrophobicContact CD1-CD2 3.74Å; L283-L368 HydrophobicContact CD2-CD2 4.47Å; L283-V371 HydrophobicContact CD1-CB 4.37Å; L283-V371 HydrophobicContact CD1-CG1 4.44Å; L283-V371 HydrophobicContact CD1-CG2 4.12Å; L283-V371 HydrophobicContact CD2-CG2 3.96Å; L283-V371 HydrophobicContact CG-CG2 4.11Å
284T89Confident87.4Confident26 Ų2645.6 Ų45.616%0.1622%0.219CC..  trans-101.2-174.4170.762.50000110.2N259 I261 V282 D286 S287 L289N259-T284 WeakPolarHBondContact O-CG2 3.15Å; I261-T284 WeakPolarHBondContact CD1-O 3.48Å; V282-T284 HydrophobicContact CG1-CG2 4.48Å; T284-D286 PolarHBondContact O-N 3.33Å; T284-D286 PolarHBondContact OG1-OD1 2.79Å; T284-S287 PolarHBondContact N-O 2.58Å; T284-S287 PolarHBondContact OG1-N 3.12Å; T284-S287 VanDerWaalsContact OG1-N 3.12Å; T284-S287 PolarHBondContact OG1-O 3.37Å; T284-L289 HydrophobicContact CG2-CD1 3.25Å
285E85.5Confident86.7Confident84 Ų8443 Ų4339%0.39321%0.213SC..SBendtrans-65.6-20.9178.4-59.1-161.3163.900114.8I261 V371I261-E285 HydrophobicContact CD1-CG 4.22Å; E285-V371 WeakPolarHBondContact O-CG1 3.36Å
286D87.6Confident85.4Confident91 Ų9144.9 Ų44.949%0.48721%0.212SC..SBendtrans-133.8-15.4-171.764.5-7.8000114.2T284 L306T284-D286 PolarHBondContact O-N 3.33Å; T284-D286 PolarHBondContact OG1-OD1 2.79Å; D286-L306 PolarHBondContact O-N 3.42Å
287S89.1Confident83.8Confident16 Ų1644.8 Ų44.811%0.11222%0.219CC..EExtended strand (participates in β ladder)trans-144.8155.1-167.7-57.70000111.8T284 I304T284-S287 PolarHBondContact N-O 2.58Å; T284-S287 PolarHBondContact OG1-N 3.12Å; T284-S287 VanDerWaalsContact OG1-N 3.12Å; T284-S287 PolarHBondContact OG1-O 3.37Å; S287-I304 CarbonylContact C-O 3.57Å; S287-I304 WeakPolarHBondContact CA-O 3.35Å
288L92.3Very high82.1Confident0 Ų042.7 Ų42.70%021%0.208CC..EExtended strand (participates in β ladder)trans-111.5108.4168179.566.9000108.5F281 L283 I304 L306 L325 M353 W364 L368F281-L288 HydrophobicContact CB-CD1 4.2Å; F281-L288 HydrophobicContact CD1-CD1 3.81Å; F281-L288 HydrophobicContact CD1-CD2 3.82Å; F281-L288 HydrophobicContact CD1-CG 3.7Å; F281-L288 HydrophobicContact CE1-CD2 4.04Å; F281-L288 HydrophobicContact CE1-CG 4.24Å; F281-L288 HydrophobicContact CG-CD1 4.5Å; L283-L288 HydrophobicContact CB-CD1 4.2Å; L283-L288 HydrophobicContact CD1-CD1 4.44Å; L288-I304 HydrophobicContact CB-CB 4.28Å; L288-I304 HydrophobicContact CD2-CD1 4.37Å; L288-I304 PolarHBondContact N-O 2.82Å; L288-I304 PolarHBondContact O-N 3.06Å; L288-L306 HydrophobicContact CB-CD1 4.25Å; L288-L306 HydrophobicContact CB-CD2 3.91Å; L288-L306 HydrophobicContact CB-CG 4.23Å; L288-L325 HydrophobicContact CD2-CD1 3.75Å; L288-M353 HydrophobicContact CD2-CE 3.68Å; L288-M353 HydrophobicContact CD2-SD 4.18Å; L288-W364 HydrophobicContact CD1-CH2 4.47Å; L288-W364 HydrophobicContact CD1-CZ3 3.87Å; L288-L368 HydrophobicContact CD1-CD2 4.44Å; L288-L368 HydrophobicContact CD2-CD2 4.09Å
289L90.4Very high80.8Confident28 Ų2844.2 Ų44.215%0.14722%0.22CC..EExtended strand (participates in β ladder)trans-93.8148.7179.1-55.996.2000109.4F281 V282 T284 Y291 T300 V303F281-L289 CarbonylContact C-O 3.52Å; F281-L289 WeakPolarHBondContact CA-O 3.49Å; V282-L289 PolarHBondContact N-O 3.24Å; V282-L289 PolarHBondContact O-N 3.32Å; T284-L289 HydrophobicContact CG2-CD1 3.25Å; L289-Y291 HydrophobicContact CB-CE2 3.79Å; L289-T300 HydrophobicContact CD2-CG2 3.77Å; L289-V303 HydrophobicContact CD2-CG2 4.05Å; L289-V303 HydrophobicContact CG-CG1 4.43Å; L289-V303 HydrophobicContact CG-CG2 4.32Å
290Y89.8Confident80Confident9 Ų944.1 Ų44.14%0.03522%0.224CC..EExtended strand (participates in β ladder)trans-137143.1171.867.2-97.1000113K268 R279 W280 F281 K301 G302 I304K268-Y290 HydrophobicContact CD-CD2 4.23Å; K268-Y290 HydrophobicContact CD-CE1 4.4Å; K268-Y290 HydrophobicContact CD-CE2 4.13Å; K268-Y290 HydrophobicContact CD-CG 4.44Å; R279-Y290 HydrophobicContact CB-CD2 4.14Å; R279-Y290 HydrophobicContact CB-CG 4.44Å; R279-Y290 HydrophobicContact CG-CD2 3.82Å; R279-Y290 HydrophobicContact CG-CE2 4.47Å; W280-Y290 CarbonylContact O-C 3.44Å; W280-Y290 VanDerWaalsContact O-CA 3.24Å; W280-Y290 WeakPolarHBondContact O-CA 3.43Å; F281-Y290 AromaticContact CE1-CD1 3.93Å; F281-Y290 HydrophobicContact CE1-CD1 3.93Å; F281-Y290 HydrophobicContact CE1-CG 4.05Å; F281-Y290 HydrophobicContact CZ-CD1 4.32Å; F281-Y290 HydrophobicContact CZ-CG 4.18Å; Y290-K301 HydrophobicContact CD2-CB 3.74Å; Y290-K301 HydrophobicContact CE2-CB 3.53Å; Y290-K301 WeakPolarHBondContact CE2-O 3.47Å; Y290-K301 WeakPolarHBondContact O-CB 3.48Å; Y290-K301 PolarHBondContact O-N 3.39Å; Y290-K301 PolarHBondContact OH-O 3.33Å; Y290-G302 VanDerWaalsContact CZ-CA 3.44Å; Y290-G302 PolarHBondContact N-O 2.93Å; Y290-G302 PolarHBondContact O-N 3.38Å; Y290-I304 HydrophobicContact CD1-CD1 4.31Å; Y290-I304 HydrophobicContact CE1-CD1 4.3Å; Y290-I304 HydrophobicContact CE1-CG1 4.34Å
291Y85.7Confident79.6Confident20 Ų2046.7 Ų46.78%0.07824%0.237CC..EExtended strand (participates in β ladder)trans-124.7162.9-172.9-56.6-95.4000109.5R279 W280 V282 L289 T293 R298 T300R279-Y291 WeakPolarHBondContact CA-O 3.47Å; R279-Y291 WeakPolarHBondContact CB-O 3.33Å; R279-Y291 WeakPolarHBondContact CD-O 3.32Å; W280-Y291 PolarHBondContact N-O 3.22Å; W280-Y291 PolarHBondContact O-N 3.05Å; V282-Y291 HydrophobicContact CB-CE2 4.09Å; V282-Y291 HydrophobicContact CG2-CD2 4.07Å; V282-Y291 HydrophobicContact CG2-CE2 3.72Å; L289-Y291 HydrophobicContact CB-CE2 3.79Å; Y291-T293 VanDerWaalsContact C-N 3.35Å; Y291-T293 WeakPolarHBondContact CB-O 3.41Å; Y291-R298 WeakPolarHBondContact CD1-O 3.44Å; Y291-T300 HydrophobicContact CD1-CG2 4.29Å; Y291-T300 HydrophobicContact CE1-CG2 3.4Å; Y291-T300 WeakPolarHBondContact OH-CG2 3.41Å
292L83.6Confident79.1Confident71 Ų7146.7 Ų46.737%0.37224%0.237SC..SBendtrans-72-36.5172.4-171.363.3000110.9W265 K301W265-L292 WeakPolarHBondContact CH2-O 3.42Å; W265-L292 WeakPolarHBondContact CZ3-O 2.77Å; L292-K301 HydrophobicContact CB-CG 4.47Å
293T75.8Confident78.9Confident28 Ų2848.4 Ų48.417%0.17225%0.247CC..SBendtrans-130.6160.3-175.250.50000110.9Y291 D295 R298Y291-T293 VanDerWaalsContact C-N 3.35Å; Y291-T293 WeakPolarHBondContact CB-O 3.41Å; T293-D295 PolarHBondContact O-N 3.36Å; T293-R298 WeakPolarHBondContact OG1-CD 3.38Å; T293-R298 PolarHBondContact OG1-NE 3.14Å
294P73.6Confident78.7Confident59 Ų5948.4 Ų48.438%0.38325%0.247SC..SBendtrans-66.7-25.3177.2-20.934.9000114.2W265 W280 R296W265-P294 HydrophobicContact CH2-CG 4.26Å; W265-P294 VanDerWaalsContact CZ2-CD 3.46Å; W265-P294 HydrophobicContact CZ2-CG 3.48Å; W265-P294 VanDerWaalsContact CZ2-CG 3.48Å; W280-P294 HydrophobicContact CB-CG 4.46Å; W280-P294 VanDerWaalsContact CD1-CA 3.49Å; W280-P294 HydrophobicContact CD2-CB 3.65Å; W280-P294 HydrophobicContact CD2-CG 3.83Å; W280-P294 HydrophobicContact CE3-CB 3.98Å; W280-P294 HydrophobicContact CE3-CG 3.73Å; W280-P294 VanDerWaalsContact CG-CA 3.44Å; W280-P294 HydrophobicContact CG-CB 3.98Å; W280-P294 HydrophobicContact CG-CG 4.18Å; W280-P294 HydrophobicContact CH2-CB 4.37Å; W280-P294 HydrophobicContact CZ2-CB 4.06Å; W280-P294 HydrophobicContact CZ3-CB 4.33Å; W280-P294 HydrophobicContact CZ3-CG 4.18Å; P294-R296 PolarHBondContact O-N 3.44Å
295D65.4Low78.6Confident87 Ų8749.7 Ų49.747%0.46526%0.256SS..  trans-67.4110.7172.8-171.58.3000109.4T293 S297T293-D295 PolarHBondContact O-N 3.36Å; D295-S297 PolarHBondContact O-N 3.42Å; D295-S297 PolarHBondContact OD1-N 3Å; D295-S297 PolarHBondContact OD1-OG 2.86Å; D295-S297 VanDerWaalsContact OD1-OG 3.12Å; D295-S297 PolarHBondContact OD2-OG 3.3Å
296R58Low78.8Confident84 Ų8445.7 Ų45.732%0.31724%0.237SC..THydrogen-bonded Turntrans-73.4-2-176.6-63-175.1-177.9-1696112.9N258 V282 P294 R298N258-R296 PolarHBondContact O-NH1 2.98Å; N258-R296 PolarHBondContact O-NH2 3.35Å; V282-R296 VanDerWaalsContact CG1-NH2 3.3Å; P294-R296 PolarHBondContact O-N 3.44Å; R296-R298 PolarHBondContact O-N 3.08Å
297S54Low78.6Confident45 Ų4546.3 Ų46.332%0.31524%0.237SC..THydrogen-bonded Turntrans-49.7-37.4171.752.30000111.7D295D295-S297 PolarHBondContact O-N 3.42Å; D295-S297 PolarHBondContact OD1-N 3Å; D295-S297 PolarHBondContact OD1-OG 2.86Å; D295-S297 VanDerWaalsContact OD1-OG 3.12Å; D295-S297 PolarHBondContact OD2-OG 3.3Å
298R54.2Low78.4Confident55 Ų5547.1 Ų47.121%0.20825%0.248CC..SBendtrans-79.9144.1-174.9-55.3-169.7-162.9-164.313.3114E43 Y291 T293 R296 T300E43-R298 IonicContact OE1-CZ 3.71Å; E43-R298 IonicContact OE1-NH1 2.84Å; E43-R298 PolarHBondContact OE1-NH1 3.36Å; E43-R298 IonicContact OE1-NH2 3.74Å; E43-R298 PolarHBondContact OE1-NH2 3.04Å; E43-R298 IonicContact OE2-CZ 3.77Å; E43-R298 IonicContact OE2-NH1 2.74Å; E43-R298 IonicContact OE2-NH2 3.31Å; E43-R298 PolarHBondContact OE2-NH2 3.46Å; Y291-R298 WeakPolarHBondContact CD1-O 3.44Å; T293-R298 WeakPolarHBondContact OG1-CD 3.38Å; T293-R298 PolarHBondContact OG1-NE 3.14Å; R296-R298 PolarHBondContact O-N 3.08Å; R298-T300 PolarHBondContact O-N 2.86Å
299Q65.3Low78.3Confident147 Ų14747.4 Ų47.469%0.68725%0.249SC*.  trans-44.5128.8171.2-72.4-179.513.100112.2K301Q299-K301 PolarHBondContact O-N 3.43Å; Q299-K301 VanDerWaalsContact O-N 3.12Å
300T75.5Confident78.3Confident40 Ų4049.3 Ų49.325%0.24526%0.259CS..  trans-51.7115.5175.241.90000110.4L289 Y291 R298 G302 V338L289-T300 HydrophobicContact CD2-CG2 3.77Å; Y291-T300 HydrophobicContact CD1-CG2 4.29Å; Y291-T300 HydrophobicContact CE1-CG2 3.4Å; Y291-T300 WeakPolarHBondContact OH-CG2 3.41Å; R298-T300 PolarHBondContact O-N 2.86Å; T300-G302 PolarHBondContact O-N 2.9Å; T300-V338 WeakPolarHBondContact O-CB 3.48Å; T300-V338 WeakPolarHBondContact O-CG2 3.48Å
301K81.7Confident78.5Confident90 Ų9050 Ų5039%0.39126%0.264SS..SBendtrans-71.9-21.6178.7-71.3-63.4-175.9-1690112.1Y290 L292 Q299Y290-K301 HydrophobicContact CD2-CB 3.74Å; Y290-K301 HydrophobicContact CE2-CB 3.53Å; Y290-K301 WeakPolarHBondContact CE2-O 3.47Å; Y290-K301 WeakPolarHBondContact O-CB 3.48Å; Y290-K301 PolarHBondContact O-N 3.39Å; Y290-K301 PolarHBondContact OH-O 3.33Å; L292-K301 HydrophobicContact CB-CG 4.47Å; Q299-K301 PolarHBondContact O-N 3.43Å; Q299-K301 VanDerWaalsContact O-N 3.12Å
302G82.4Confident78.9Confident0 Ų054.4 Ų54.40%028%0.28CS..EExtended strand (participates in β ladder)trans-177.4164.2160.700000112.8Y290 T300 C336Y290-G302 VanDerWaalsContact CZ-CA 3.44Å; Y290-G302 PolarHBondContact N-O 2.93Å; Y290-G302 PolarHBondContact O-N 3.38Å; T300-G302 PolarHBondContact O-N 2.9Å; G302-C336 CarbonylContact C-O 3.29Å; G302-C336 WeakPolarHBondContact CA-O 3.4Å
303V86Confident79.4Confident36 Ų3656 Ų5622%0.21829%0.288CS..EExtended strand (participates in β ladder)trans-124.9129.6-179.9-1760000107.9L289 P305 S335 C336L289-V303 HydrophobicContact CD2-CG2 4.05Å; L289-V303 HydrophobicContact CG-CG1 4.43Å; L289-V303 HydrophobicContact CG-CG2 4.32Å; V303-P305 WeakPolarHBondContact O-CD 3.14Å; V303-S335 WeakPolarHBondContact O-CA 3.45Å; V303-S335 WeakPolarHBondContact O-CB 3.41Å; V303-C336 PolarHBondContact N-O 3.48Å; V303-C336 PolarHBondContact O-N 2.89Å
304I88.1Confident80.2Confident0 Ų056.4 Ų56.40%029%0.289CS..EExtended strand (participates in β ladder)trans-115.894.6175.6-52.5168.7000107S287 L288 Y290 L306 V333 Y351 M353S287-I304 CarbonylContact C-O 3.57Å; S287-I304 WeakPolarHBondContact CA-O 3.35Å; L288-I304 HydrophobicContact CB-CB 4.28Å; L288-I304 HydrophobicContact CD2-CD1 4.37Å; L288-I304 PolarHBondContact N-O 2.82Å; L288-I304 PolarHBondContact O-N 3.06Å; Y290-I304 HydrophobicContact CD1-CD1 4.31Å; Y290-I304 HydrophobicContact CE1-CD1 4.3Å; Y290-I304 HydrophobicContact CE1-CG1 4.34Å; I304-L306 PolarHBondContact O-N 2.74Å; I304-V333 HydrophobicContact CG2-CG1 3.95Å; I304-Y351 HydrophobicContact CD1-CD1 3.54Å; I304-Y351 HydrophobicContact CD1-CD2 4.19Å; I304-Y351 HydrophobicContact CD1-CE1 3.59Å; I304-Y351 HydrophobicContact CD1-CE2 4.23Å; I304-Y351 HydrophobicContact CD1-CG 3.86Å; I304-Y351 HydrophobicContact CG1-CD1 4.4Å; I304-Y351 HydrophobicContact CG1-CE1 4.02Å; I304-Y351 HydrophobicContact CG1-CE2 4.16Å; I304-Y351 HydrophobicContact CG2-CD2 4.4Å; I304-Y351 HydrophobicContact CG2-CE2 4.39Å; I304-M353 HydrophobicContact CD1-CE 3.87Å
305P86.4Confident81Confident53 Ų5362 Ų6234%0.34431%0.31SS..EExtended strand (participates in β ladder)trans-49.8132166.5-24.732.4000110.6V303 I309 K334V303-P305 WeakPolarHBondContact O-CD 3.14Å; P305-I309 WeakPolarHBondContact O-CG1 3.43Å; P305-K334 VanDerWaalsContact CD-O 3.26Å; P305-K334 WeakPolarHBondContact CD-O 3.47Å
306L89.8Confident82.1Confident0 Ų058.7 Ų58.70%029%0.292CS..  trans-93.3-1.1-175.2-65.9175.5000113.1L283 D286 L288 I304 G308 I309 L368 V371 T372 L375L283-L306 HydrophobicContact CD1-CD1 3.26Å; D286-L306 PolarHBondContact O-N 3.42Å; L288-L306 HydrophobicContact CB-CD1 4.25Å; L288-L306 HydrophobicContact CB-CD2 3.91Å; L288-L306 HydrophobicContact CB-CG 4.23Å; I304-L306 PolarHBondContact O-N 2.74Å; L306-G308 PolarHBondContact O-N 2.81Å; L306-G308 VanDerWaalsContact O-N 3.16Å; L306-I309 WeakPolarHBondContact O-CB 3.09Å; L306-I309 PolarHBondContact O-N 2.91Å; L306-I309 VanDerWaalsContact O-N 3.15Å; L306-L368 HydrophobicContact CD1-CD2 4.16Å; L306-L368 HydrophobicContact CD2-CD2 4.06Å; L306-V371 HydrophobicContact CD1-CB 4.41Å; L306-V371 HydrophobicContact CD1-CG1 3.76Å; L306-T372 HydrophobicContact CB-CG2 4.15Å; L306-L375 HydrophobicContact CB-CD1 3.84Å
307E84.3Confident83.5Confident105 Ų10564.5 Ų64.549%0.49132%0.32SS..THydrogen-bonded Turntrans-65.8113.8-179-142.6-168.7171.600111.5I309 R379E307-I309 VanDerWaalsContact C-N 3.32Å; E307-R379 VanDerWaalsContact CD-NE 3.32Å; E307-R379 VanDerWaalsContact CG-CZ 3.48Å; E307-R379 IonicContact OE1-CZ 3.94Å; E307-R379 IonicContact OE1-NE 3.7Å; E307-R379 PolarHBondContact OE1-NE 3.41Å; E307-R379 IonicContact OE1-NH2 2.83Å; E307-R379 PolarHBondContact OE1-NH2 2.95Å; E307-R379 IonicContact OE2-CZ 2.68Å; E307-R379 IonicContact OE2-NH2 2.84Å; E307-R379 PolarHBondContact OE2-NH2 2.87Å
308G84.3Confident85Confident32 Ų3267 Ų6733%0.3333%0.333SS..THydrogen-bonded Turntrans76.913.6-177.500000114.9L306 P328L306-G308 PolarHBondContact O-N 2.81Å; L306-G308 VanDerWaalsContact O-N 3.16Å; G308-P328 VanDerWaalsContact O-CD 3.25Å; G308-P328 WeakPolarHBondContact O-CD 3.34Å
309I89.4Confident86.6Confident7 Ų768 Ų684%0.03634%0.337CS..  trans-84.3132.1174.3-65.7-62.1000110.5P305 L306 E307 L325 V333 T372P305-I309 WeakPolarHBondContact O-CG1 3.43Å; L306-I309 WeakPolarHBondContact O-CB 3.09Å; L306-I309 PolarHBondContact O-N 2.91Å; L306-I309 VanDerWaalsContact O-N 3.15Å; E307-I309 VanDerWaalsContact C-N 3.32Å; I309-L325 HydrophobicContact CG2-CB 3.74Å; I309-L325 HydrophobicContact CG2-CD2 4.26Å; I309-L325 HydrophobicContact CG2-CG 4.42Å; I309-V333 HydrophobicContact CD1-CG1 3.91Å; I309-V333 HydrophobicContact CD1-CG2 3.96Å; I309-T372 HydrophobicContact CB-CG2 4.3Å; I309-T372 WeakPolarHBondContact O-CB 3.48Å; I309-T372 VanDerWaalsContact O-CG2 3.32Å; I309-T372 WeakPolarHBondContact O-CG2 3.26Å
310N90.5Very high87.8Confident67 Ų6767.7 Ų67.736%0.35834%0.336SS..EExtended strand (participates in β ladder)trans-105.4155.8168.3-73.5-0.9000110.6L325 Y326 P328N310-L325 WeakPolarHBondContact O-CA 3.33Å; N310-Y326 HydrophobicContact CB-CD1 4.04Å; N310-Y326 HydrophobicContact CB-CE1 3.49Å; N310-Y326 VanDerWaalsContact CB-CE1 3.49Å; N310-Y326 HydrophobicContact CB-CE2 4.03Å; N310-Y326 VanDerWaalsContact CB-CZ 3.49Å; N310-Y326 PolarHBondContact N-O 3.43Å; N310-Y326 VanDerWaalsContact O-CD1 3.3Å; N310-Y326 WeakPolarHBondContact O-CD1 3.37Å; N310-Y326 PolarHBondContact O-N 3.24Å; N310-P328 WeakPolarHBondContact ND2-CG 3.24Å
311I93.9Very high88.6Confident25 Ų2568.6 Ų68.613%0.12834%0.336CS..EExtended strand (participates in β ladder)trans-114.6139.4179.4-55.786.4000108.4F323 E324 L325 I365 L368 E369 T372I311-F323 HydrophobicContact CG2-CD2 4.18Å; I311-E324 WeakPolarHBondContact CA-O 3.31Å; I311-L325 HydrophobicContact CG1-CD2 3.68Å; I311-L325 HydrophobicContact CG2-CD2 4.45Å; I311-I365 HydrophobicContact CG2-CG1 4.09Å; I311-I365 HydrophobicContact CG2-CG2 4.17Å; I311-L368 HydrophobicContact CD1-CB 4.23Å; I311-L368 HydrophobicContact CG1-CB 4.16Å; I311-E369 HydrophobicContact CB-CG 4.46Å; I311-E369 HydrophobicContact CD1-CG 3.92Å; I311-E369 HydrophobicContact CG1-CG 4.46Å; I311-T372 HydrophobicContact CD1-CG2 3.99Å
312R94Very high89.2Confident111 Ų11164.5 Ų64.542%0.41932%0.319SS..EExtended strand (participates in β ladder)trans-138143.9169.364.4-179.3-177.6-166.10.2111.5I314 F323 E324 Y326R312-I314 HydrophobicContact CG-CG2 4.12Å; R312-F323 CarbonylContact O-C 3.37Å; R312-F323 WeakPolarHBondContact O-CA 3.37Å; R312-F323 WeakPolarHBondContact O-CB 3.15Å; R312-E324 HydrophobicContact CG-CB 3.97Å; R312-E324 IonicContact CZ-OE2 3.76Å; R312-E324 PolarHBondContact N-O 2.77Å; R312-E324 IonicContact NE-OE2 3.87Å; R312-E324 PolarHBondContact NE-OE2 2.98Å; R312-E324 IonicContact NH2-OE2 3.19Å; R312-E324 PolarHBondContact NH2-OE2 3.46Å; R312-E324 PolarHBondContact O-N 3.16Å; R312-Y326 HydrophobicContact CB-CD1 4.46Å; R312-Y326 HydrophobicContact CB-CE1 3.89Å; R312-Y326 HydrophobicContact CG-CD1 3.95Å; R312-Y326 HydrophobicContact CG-CE1 3.84Å
313L94.8Very high89.8Confident104 Ų10464.5 Ų64.555%0.54532%0.319SS..EExtended strand (participates in β ladder)trans-71.8140.5168.1-74.9167.2000109.9I365L313-I365 HydrophobicContact CD2-CD1 3.34Å; L313-I365 HydrophobicContact CG-CD1 4.02Å
314I93.1Very high90.3Very high38 Ų3862.9 Ų62.920%0.19531%0.309CS..  trans-138158.4175.761.2144.7000110.9R312 D316 C322 E324 R352R312-I314 HydrophobicContact CG-CG2 4.12Å; I314-D316 HydrophobicContact CD1-CB 4.43Å; I314-C322 HydrophobicContact CD1-CB 3.84Å; I314-C322 HydrophobicContact CG1-CB 3.68Å; I314-C322 PolarHBondContact N-O 3.4Å; I314-C322 VanDerWaalsContact O-O 3.14Å; I314-E324 HydrophobicContact CD1-CG 3.82Å; I314-E324 HydrophobicContact CG1-CG 4.07Å; I314-E324 HydrophobicContact CG2-CB 4.38Å; I314-E324 HydrophobicContact CG2-CG 3.99Å; I314-R352 VanDerWaalsContact CD1-CD 3.43Å; I314-R352 HydrophobicContact CD1-CG 3.64Å; I314-R352 VanDerWaalsContact CD1-NE 3.27Å
315H89.8Confident90.5Very high177 Ų17762.9 Ų62.982%0.81931%0.309SS*.  trans-102.8126.4165.7-172.972000109
316D88.9Confident90.7Very high16 Ų1663.2 Ų63.29%0.08630%0.304CS..  trans-115137.4175.8-168.6-74000109.2I314 T318 C322 R352I314-D316 HydrophobicContact CD1-CB 4.43Å; D316-T318 PolarHBondContact O-N 3.09Å; D316-T318 WeakPolarHBondContact OD1-CA 3.24Å; D316-T318 WeakPolarHBondContact OD1-CB 3.31Å; D316-T318 PolarHBondContact OD1-N 3.12Å; D316-T318 PolarHBondContact OD1-OG1 3.37Å; D316-C322 HydrophobicContact CB-CB 4.14Å; D316-C322 VanDerWaalsContact CB-SG 3.57Å; D316-R352 VanDerWaalsContact OD2-CD 3.23Å; D316-R352 WeakPolarHBondContact OD2-CD 3.39Å; D316-R352 IonicContact OD2-CZ 2.74Å; D316-R352 IonicContact OD2-NE 2.81Å; D316-R352 IonicContact OD2-NH1 3.89Å; D316-R352 PolarHBondContact OD2-NH1 3.03Å
317K87.1Confident90.3Very high206 Ų20664.3 Ų64.390%0.89631%0.311SS*.SBendtrans-68.3-18.4-178-62.1-177.3179.2-176.80113.2
318T85.4Confident89.8Confident99 Ų9961.8 Ų61.861%0.60730%0.304SS*.SBendtrans-109.6-15.5-171.166.20000113.8W276 D316W276-T318 PolarHBondContact NE1-OG1 3.1Å; D316-T318 PolarHBondContact O-N 3.09Å; D316-T318 WeakPolarHBondContact OD1-CA 3.24Å; D316-T318 WeakPolarHBondContact OD1-CB 3.31Å; D316-T318 PolarHBondContact OD1-N 3.12Å; D316-T318 PolarHBondContact OD1-OG1 3.37Å
319R88.9Confident88.9Confident74 Ų7471.1 Ų71.128%0.27933%0.329SS..  trans-148.3141.6178.8-72.5-163.8174.2-88.7-7.5111.8W267 W276 C322 A354W267-R319 VanDerWaalsContact CD2-NH2 3.32Å; W267-R319 VanDerWaalsContact CE2-NH1 3.29Å; W276-R319 VanDerWaalsContact CD2-CD 3.48Å; W276-R319 HydrophobicContact CD2-CG 4.22Å; W276-R319 HydrophobicContact CG-CG 4.48Å; W276-R319 HydrophobicContact CH2-CB 4.45Å; W276-R319 HydrophobicContact CZ2-CB 4.1Å; W276-R319 HydrophobicContact CZ2-CG 4.14Å; R319-C322 PolarHBondContact O-SG 2.68Å; R319-A354 HydrophobicContact CB-CB 3.95Å
320E89.4Confident87.4Confident142 Ų14277 Ų7766%0.66436%0.361SS*.SBendtrans-81169170.9-60-171.8133.700111.3C322E320-C322 VanDerWaalsContact C-N 3.29Å; E320-C322 PolarHBondContact O-N 2.62Å
321F91.7Very high86.1Confident59 Ų5979.1 Ų79.126%0.25937%0.369SS..SBendtrans56.540.2173.5-36.4-56.1000114.1A355 L358 R361F321-A355 HydrophobicContact CB-CB 4.46Å; F321-A355 PolarHBondContact O-N 3.45Å; F321-L358 HydrophobicContact CD1-CB 3.99Å; F321-L358 HydrophobicContact CD1-CD1 3.9Å; F321-L358 HydrophobicContact CE1-CB 3.98Å; F321-L358 HydrophobicContact CE1-CD1 4.17Å; F321-R361 HydrophobicContact CB-CB 4.02Å; F321-R361 HydrophobicContact CB-CG 4.43Å; F321-R361 WeakPolarHBondContact O-CG 3.28Å
322C94.9Very high84.5Confident3 Ų382.1 Ų82.12%0.0238%0.384CS..EExtended strand (participates in β ladder)trans-87.3148.2-176.4-69.70000113.6I314 D316 R319 E320 M353 A354I314-C322 HydrophobicContact CD1-CB 3.84Å; I314-C322 HydrophobicContact CG1-CB 3.68Å; I314-C322 PolarHBondContact N-O 3.4Å; I314-C322 VanDerWaalsContact O-O 3.14Å; D316-C322 HydrophobicContact CB-CB 4.14Å; D316-C322 VanDerWaalsContact CB-SG 3.57Å; R319-C322 PolarHBondContact O-SG 2.68Å; E320-C322 VanDerWaalsContact C-N 3.29Å; E320-C322 PolarHBondContact O-N 2.62Å; C322-M353 CarbonylContact C-O 3.56Å; C322-M353 WeakPolarHBondContact CA-O 3.32Å; C322-A354 VanDerWaalsContact SG-CB 3.53Å
323F96.1Very high82.8Confident0 Ų077.1 Ų77.10%037%0.366CS..EExtended strand (participates in β ladder)trans-146.4163.4170.464.1-83.9000110.3L266 I311 R312 L325 M353 R361 W364 I365 L368L266-F323 HydrophobicContact CD1-CE1 4.48Å; L266-F323 HydrophobicContact CD1-CZ 3.91Å; L266-F323 HydrophobicContact CD2-CE1 4.25Å; L266-F323 HydrophobicContact CD2-CZ 4.47Å; I311-F323 HydrophobicContact CG2-CD2 4.18Å; R312-F323 CarbonylContact O-C 3.37Å; R312-F323 WeakPolarHBondContact O-CA 3.37Å; R312-F323 WeakPolarHBondContact O-CB 3.15Å; F323-L325 HydrophobicContact CD2-CD2 4.32Å; F323-L325 HydrophobicContact CE2-CD2 4.19Å; F323-M353 HydrophobicContact CD1-CB 4.22Å; F323-M353 HydrophobicContact CD2-CB 4.27Å; F323-M353 HydrophobicContact CE1-CB 3.79Å; F323-M353 HydrophobicContact CE2-CB 3.83Å; F323-M353 HydrophobicContact CE2-CG 4.21Å; F323-M353 HydrophobicContact CE2-SD 3.8Å; F323-M353 HydrophobicContact CG-CB 4.46Å; F323-M353 HydrophobicContact CZ-CB 3.59Å; F323-M353 HydrophobicContact CZ-CG 4.26Å; F323-M353 HydrophobicContact CZ-SD 3.86Å; F323-M353 PolarHBondContact N-O 2.88Å; F323-M353 PolarHBondContact O-N 2.66Å; F323-R361 HydrophobicContact CD1-CG 3.96Å; F323-W364 HydrophobicContact CE1-CB 4.39Å; F323-W364 HydrophobicContact CZ-CB 4.17Å; F323-I365 HydrophobicContact CB-CD1 3.98Å; F323-I365 HydrophobicContact CB-CG1 4.22Å; F323-I365 HydrophobicContact CD1-CG1 4.39Å; F323-I365 HydrophobicContact CD2-CG1 4.34Å; F323-I365 HydrophobicContact CG-CD1 4.31Å; F323-I365 HydrophobicContact CG-CG1 4.09Å; F323-L368 HydrophobicContact CE2-CD1 3.79Å; F323-L368 HydrophobicContact CZ-CD1 4.28Å
324E94.8Very high81.2Confident3 Ų380.9 Ų80.91%0.01438%0.378CS..EExtended strand (participates in β ladder)trans-126.3137178.9-75.3-178.3163.300111.9I311 R312 I314 Y351 R352I311-E324 WeakPolarHBondContact CA-O 3.31Å; R312-E324 HydrophobicContact CG-CB 3.97Å; R312-E324 IonicContact CZ-OE2 3.76Å; R312-E324 PolarHBondContact N-O 2.77Å; R312-E324 IonicContact NE-OE2 3.87Å; R312-E324 PolarHBondContact NE-OE2 2.98Å; R312-E324 IonicContact NH2-OE2 3.19Å; R312-E324 PolarHBondContact NH2-OE2 3.46Å; R312-E324 PolarHBondContact O-N 3.16Å; I314-E324 HydrophobicContact CD1-CG 3.82Å; I314-E324 HydrophobicContact CG1-CG 4.07Å; I314-E324 HydrophobicContact CG2-CB 4.38Å; I314-E324 HydrophobicContact CG2-CG 3.99Å; E324-Y351 WeakPolarHBondContact CA-O 3.49Å; E324-R352 HydrophobicContact CG-CB 3.97Å; E324-R352 HydrophobicContact CG-CG 4.01Å; E324-R352 IonicContact OE1-CZ 3.32Å; E324-R352 IonicContact OE1-NE 3.15Å; E324-R352 PolarHBondContact OE1-NE 3.1Å; E324-R352 IonicContact OE1-NH2 3.82Å; E324-R352 PolarHBondContact OE1-NH2 3.04Å
325L93.3Very high79.6Confident0 Ų079.6 Ų79.60%037%0.372CS..EExtended strand (participates in β ladder)trans-93.4127.5162.7-46.6-178.6000108.8L288 I309 N310 I311 F323 V350 Y351 M353 L368L288-L325 HydrophobicContact CD2-CD1 3.75Å; I309-L325 HydrophobicContact CG2-CB 3.74Å; I309-L325 HydrophobicContact CG2-CD2 4.26Å; I309-L325 HydrophobicContact CG2-CG 4.42Å; N310-L325 WeakPolarHBondContact O-CA 3.33Å; I311-L325 HydrophobicContact CG1-CD2 3.68Å; I311-L325 HydrophobicContact CG2-CD2 4.45Å; F323-L325 HydrophobicContact CD2-CD2 4.32Å; F323-L325 HydrophobicContact CE2-CD2 4.19Å; L325-V350 CarbonylContact O-C 3.48Å; L325-V350 WeakPolarHBondContact O-CA 3.49Å; L325-Y351 PolarHBondContact N-O 3.24Å; L325-Y351 PolarHBondContact O-N 2.98Å; L325-M353 HydrophobicContact CD1-CE 3.43Å; L325-M353 VanDerWaalsContact CD1-CE 3.43Å; L325-M353 HydrophobicContact CD1-SD 4.27Å; L325-M353 HydrophobicContact CG-CE 4.04Å; L325-L368 HydrophobicContact CD2-CD1 4.09Å
326Y89.8Confident77.9Confident59 Ų5975.3 Ų75.323%0.23136%0.361CS..EExtended strand (participates in β ladder)trans-143.4150.2-178.272.8-77.4000111.1N310 R312N310-Y326 HydrophobicContact CB-CD1 4.04Å; N310-Y326 HydrophobicContact CB-CE1 3.49Å; N310-Y326 VanDerWaalsContact CB-CE1 3.49Å; N310-Y326 HydrophobicContact CB-CE2 4.03Å; N310-Y326 VanDerWaalsContact CB-CZ 3.49Å; N310-Y326 PolarHBondContact N-O 3.43Å; N310-Y326 VanDerWaalsContact O-CD1 3.3Å; N310-Y326 WeakPolarHBondContact O-CD1 3.37Å; N310-Y326 PolarHBondContact O-N 3.24Å; R312-Y326 HydrophobicContact CB-CD1 4.46Å; R312-Y326 HydrophobicContact CB-CE1 3.89Å; R312-Y326 HydrophobicContact CG-CD1 3.95Å; R312-Y326 HydrophobicContact CG-CE1 3.84Å
327C81.9Confident76.5Confident23 Ų2376.4 Ų76.416%0.15537%0.365CS..  trans-91.8134.1170-165.40000109N330 Q331C327-N330 PolarHBondContact O-N 3.36Å; C327-Q331 HydrophobicContact CB-CB 4.31Å
328P73.3Confident74.7Confident52 Ų5269.9 Ų69.934%0.33834%0.343SS..G310 helixtrans-51.1146.1171.1-26.935.3000111.9G308 N310G308-P328 VanDerWaalsContact O-CD 3.25Å; G308-P328 WeakPolarHBondContact O-CD 3.34Å; N310-P328 WeakPolarHBondContact ND2-CG 3.24Å
329R66.6Low72.6Confident228 Ų22871.7 Ų71.786%0.8634%0.344SS*.G310 helixtrans68.624.7-177.2-48.7178.2-179.1172.40.7115.5Q331R329-Q331 HydrophobicContact CB-CG 4.39Å; R329-Q331 PolarHBondContact O-N 2.95Å
330N57.5Low70.4Confident131 Ų13179.4 Ų79.470%0.70137%0.373SS*.G310 helixtrans54.327.1177.9-77.1-12000113.8C327C327-N330 PolarHBondContact O-N 3.36Å
331Q62.5Low67.7Low112 Ų11282 Ų8252%0.52339%0.385SS..  trans-69.4146.7175.2-64.2-17213.600110C327 R329 V333C327-Q331 HydrophobicContact CB-CB 4.31Å; R329-Q331 HydrophobicContact CB-CG 4.39Å; R329-Q331 PolarHBondContact O-N 2.95Å; Q331-V333 PolarHBondContact O-N 2.87Å
332L60.3Low64.9Low87 Ų8785.2 Ų85.246%0.45540%0.404SS..  trans-58.9127.7177.2-76.2160.6000110.2K334 Q347 T349L332-K334 PolarHBondContact O-N 3.49Å; L332-Q347 HydrophobicContact CD1-CG 4.09Å; L332-Q347 HydrophobicContact CD2-CB 3.41Å; L332-Q347 VanDerWaalsContact CD2-CB 3.41Å; L332-Q347 HydrophobicContact CD2-CG 3.63Å; L332-T349 HydrophobicContact CD2-CG2 4.44Å
333V59.4Low62.1Low7 Ų789.6 Ų89.64%0.04244%0.441CS..BIsolated β-bridgetrans-69108.1171.8177.60000107.5I304 I309 Q331 S335 H348 Y351I304-V333 HydrophobicContact CG2-CG1 3.95Å; I309-V333 HydrophobicContact CD1-CG1 3.91Å; I309-V333 HydrophobicContact CD1-CG2 3.96Å; Q331-V333 PolarHBondContact O-N 2.87Å; V333-S335 PolarHBondContact O-N 3.09Å; V333-S335 PolarHBondContact O-OG 3.24Å; V333-H348 PolarHBondContact N-O 2.86Å; V333-Y351 HydrophobicContact CB-CD2 4.12Å; V333-Y351 HydrophobicContact CB-CE2 3.97Å; V333-Y351 HydrophobicContact CG1-CD2 3.82Å; V333-Y351 HydrophobicContact CG1-CE2 3.62Å; V333-Y351 HydrophobicContact CG2-CD2 4.36Å
334K60.6Low59.3Low183 Ų18392.7 Ų92.780%0.79646%0.46SS*.  trans-54.2115.4170.7-68.7-176.2-179179.20106.6P305 L332P305-K334 VanDerWaalsContact CD-O 3.26Å; P305-K334 WeakPolarHBondContact CD-O 3.47Å; L332-K334 PolarHBondContact O-N 3.49Å
335S59.1Low56.8Low10 Ų1095.5 Ų95.57%0.0749%0.49CS..  trans-150137.5177.650.90000109V303 V333 Y351V303-S335 WeakPolarHBondContact O-CA 3.45Å; V303-S335 WeakPolarHBondContact O-CB 3.41Å; V333-S335 PolarHBondContact O-N 3.09Å; V333-S335 PolarHBondContact O-OG 3.24Å; S335-Y351 WeakPolarHBondContact CB-OH 3.47Å; S335-Y351 PolarHBondContact OG-OH 3.29Å
336C55.3Low54.9Low87 Ų8797.5 Ų97.559%0.58850%0.499SS*.BIsolated β-bridgetrans-102.2124.2177.5-69.90000108G302 V303G302-C336 CarbonylContact C-O 3.29Å; G302-C336 WeakPolarHBondContact CA-O 3.4Å; V303-C336 PolarHBondContact N-O 3.48Å; V303-C336 PolarHBondContact O-N 2.89Å
337K57.8Low53.3Low40 Ų40101.8 Ų101.817%0.17452%0.521CS..  trans-107.2123.2167.5-67.6-171.2-177.7170.20107.9E339 H346 H348K337-E339 PolarHBondContact O-N 2.9Å; K337-H346 HydrophobicContact CD-CB 3.99Å; K337-H348 VanDerWaalsContact CE-NE2 3.28Å; K337-H348 WeakPolarHBondContact CE-NE2 3.39Å; K337-H348 PolarHBondContact NZ-NE2 3.31Å; K337-H348 VanDerWaalsContact NZ-NE2 3.18Å
338V49.9Very low52.4Low69 Ų69101 Ų10142%0.41852%0.515SS..  trans-85.394.7173-170.90000106.9T300T300-V338 WeakPolarHBondContact O-CB 3.48Å; T300-V338 WeakPolarHBondContact O-CG2 3.48Å
339E42.5Very low52.4Low137 Ų137102.1 Ų102.164%0.6452%0.521SS*.  trans-116.8142.3164.1-157.7158.3-141.900106.7K337 E341K337-E339 PolarHBondContact O-N 2.9Å; E339-E341 PolarHBondContact O-N 3.39Å
340R40.8Very low53.3Low235 Ų23592.7 Ų92.789%0.88749%0.489SS*.THydrogen-bonded Turntrans-31.9122.7-167.3-83176.9-109.4-174.5-7.2113.9L342R340-L342 VanDerWaalsContact C-N 3.27Å; R340-L342 PolarHBondContact O-N 3.19Å
341E34.3Very low54.9Low197 Ų19786.5 Ų86.592%0.92146%0.456SS*.THydrogen-bonded Turntrans62.6-2.3161.9-66.7179.8161.100119.9E339E339-E341 PolarHBondContact O-N 3.39Å
342L32.7Very low56.3Low126 Ų12684.7 Ų84.766%0.6644%0.444SS*.  trans-147.1108.1170.6-142.973.1000110.1R340 T344R340-L342 VanDerWaalsContact C-N 3.27Å; R340-L342 PolarHBondContact O-N 3.19Å; L342-T344 HydrophobicContact CB-CG2 4.23Å; L342-T344 HydrophobicContact CD2-CG2 3.9Å; L342-T344 HydrophobicContact CG-CG2 4.2Å; L342-T344 PolarHBondContact O-N 3.46Å; L342-T344 PolarHBondContact O-OG1 2.92Å
343A36.5Very low58Low95 Ų9580.6 Ų80.679%0.78542%0.423SS*.  trans-64.974.3172.500000110.1G345A343-G345 PolarHBondContact O-N 3.43Å
344T37.2Very low59.7Low65 Ų6580.3 Ų80.340%0.39942%0.421SS..  trans-81.9113.6177.244.80000107.7L342 H346L342-T344 HydrophobicContact CB-CG2 4.23Å; L342-T344 HydrophobicContact CD2-CG2 3.9Å; L342-T344 HydrophobicContact CG-CG2 4.2Å; L342-T344 PolarHBondContact O-N 3.46Å; L342-T344 PolarHBondContact O-OG1 2.92Å; T344-H346 PolarHBondContact O-N 3.12Å; T344-H346 PolarHBondContact O-ND1 3.08Å; T344-H346 PolarHBondContact OG1-CE1 3.48Å
345G42.3Very low61.2Low62 Ų6271.8 Ų71.864%0.63939%0.385SS*.  trans-58.698.4177.100000110.6A343 Q347A343-G345 PolarHBondContact O-N 3.43Å; G345-Q347 PolarHBondContact O-N 3.27Å
346H53.4Low62.4Low43 Ų4374 Ų7420%0.19940%0.399CS..  trans-82.3110.7-179.8-7985.6000109.8K337 T344 H348K337-H346 HydrophobicContact CD-CB 3.99Å; T344-H346 PolarHBondContact O-N 3.12Å; T344-H346 PolarHBondContact O-ND1 3.08Å; T344-H346 PolarHBondContact OG1-CE1 3.48Å; H346-H348 PolarHBondContact O-N 3.27Å; H346-H348 VanDerWaalsContact O-N 3.13Å
347Q55.8Low63.7Low148 Ų14872.5 Ų72.569%0.69239%0.387SS*.  trans-65.1100.6-177.4-69177.3-3.400112.2L332 G345L332-Q347 HydrophobicContact CD1-CG 4.09Å; L332-Q347 HydrophobicContact CD2-CB 3.41Å; L332-Q347 VanDerWaalsContact CD2-CB 3.41Å; L332-Q347 HydrophobicContact CD2-CG 3.63Å; G345-Q347 PolarHBondContact O-N 3.27Å
348H63.1Low64.9Low6 Ų674.8 Ų74.83%0.02840%0.401CS..BIsolated β-bridgetrans-102.8126.7160.3-67.5-99.8000108.3G271 V333 K337 H346 Y351G271-H348 WeakPolarHBondContact CA-CE1 3.14Å; G271-H348 WeakPolarHBondContact CA-ND1 3.39Å; G271-H348 PolarHBondContact N-CE1 3.01Å; G271-H348 VanDerWaalsContact N-CE1 3.26Å; V333-H348 PolarHBondContact N-O 2.86Å; K337-H348 VanDerWaalsContact CE-NE2 3.28Å; K337-H348 WeakPolarHBondContact CE-NE2 3.39Å; K337-H348 PolarHBondContact NZ-NE2 3.31Å; K337-H348 VanDerWaalsContact NZ-NE2 3.18Å; H346-H348 PolarHBondContact O-N 3.27Å; H346-H348 VanDerWaalsContact O-N 3.13Å; H348-Y351 HydrophobicContact CB-CD2 3.94Å; H348-Y351 HydrophobicContact CB-CE2 3.6Å; H348-Y351 AromaticContact CD2-CE1 3.84Å; H348-Y351 AromaticContact CD2-CE2 3.91Å; H348-Y351 AromaticContact CD2-CZ 3.37Å; H348-Y351 PolarHBondContact CD2-OH 3.29Å; H348-Y351 AromaticContact CG-CE2 3.91Å; H348-Y351 AromaticContact CG-CZ 3.74Å; H348-Y351 AromaticContact NE2-CE1 3.75Å; H348-Y351 AromaticContact NE2-CZ 3.75Å
349T71.8Confident66.5Low76 Ų7677.8 Ų77.847%0.46641%0.413SS..SBendtrans-77.6-32.3167.450.10000111L332L332-T349 HydrophobicContact CD2-CG2 4.44Å
350V86.7Confident68.4Low31 Ų3174.4 Ų74.419%0.18840%0.397CS..EExtended strand (participates in β ladder)trans-141.4143.9176.1-60.80000110.2L325L325-V350 CarbonylContact O-C 3.48Å; L325-V350 WeakPolarHBondContact O-CA 3.49Å
351Y90.2Very high70.9Confident1 Ų165.3 Ų65.30%0.00436%0.363CS..EExtended strand (participates in β ladder)trans-102101.8168.3-84.9-91.9000109.3I304 E324 L325 V333 S335 H348 M353I304-Y351 HydrophobicContact CD1-CD1 3.54Å; I304-Y351 HydrophobicContact CD1-CD2 4.19Å; I304-Y351 HydrophobicContact CD1-CE1 3.59Å; I304-Y351 HydrophobicContact CD1-CE2 4.23Å; I304-Y351 HydrophobicContact CD1-CG 3.86Å; I304-Y351 HydrophobicContact CG1-CD1 4.4Å; I304-Y351 HydrophobicContact CG1-CE1 4.02Å; I304-Y351 HydrophobicContact CG1-CE2 4.16Å; I304-Y351 HydrophobicContact CG2-CD2 4.4Å; I304-Y351 HydrophobicContact CG2-CE2 4.39Å; E324-Y351 WeakPolarHBondContact CA-O 3.49Å; L325-Y351 PolarHBondContact N-O 3.24Å; L325-Y351 PolarHBondContact O-N 2.98Å; V333-Y351 HydrophobicContact CB-CD2 4.12Å; V333-Y351 HydrophobicContact CB-CE2 3.97Å; V333-Y351 HydrophobicContact CG1-CD2 3.82Å; V333-Y351 HydrophobicContact CG1-CE2 3.62Å; V333-Y351 HydrophobicContact CG2-CD2 4.36Å; S335-Y351 WeakPolarHBondContact CB-OH 3.47Å; S335-Y351 PolarHBondContact OG-OH 3.29Å; H348-Y351 HydrophobicContact CB-CD2 3.94Å; H348-Y351 HydrophobicContact CB-CE2 3.6Å; H348-Y351 AromaticContact CD2-CE1 3.84Å; H348-Y351 AromaticContact CD2-CE2 3.91Å; H348-Y351 AromaticContact CD2-CZ 3.37Å; H348-Y351 PolarHBondContact CD2-OH 3.29Å; H348-Y351 AromaticContact CG-CE2 3.91Å; H348-Y351 AromaticContact CG-CZ 3.74Å; H348-Y351 AromaticContact NE2-CE1 3.75Å; H348-Y351 AromaticContact NE2-CZ 3.75Å; Y351-M353 HydrophobicContact CD1-CE 4.46Å
352R93.3Very high73.3Confident74 Ų7459.2 Ų59.228%0.27934%0.337SS..EExtended strand (participates in β ladder)trans-82.4128.1173.5-170.7174.7-63.2-179.6-4.2111K268 L269 W276 I314 D316 E324K268-R352 WeakPolarHBondContact CA-O 3.4Å; L269-R352 HydrophobicContact CB-CB 3.98Å; L269-R352 HydrophobicContact CD2-CB 4.33Å; L269-R352 PolarHBondContact N-O 3.09Å; W276-R352 HydrophobicContact CH2-CG 3.76Å; W276-R352 HydrophobicContact CZ2-CG 4.34Å; I314-R352 VanDerWaalsContact CD1-CD 3.43Å; I314-R352 HydrophobicContact CD1-CG 3.64Å; I314-R352 VanDerWaalsContact CD1-NE 3.27Å; D316-R352 VanDerWaalsContact OD2-CD 3.23Å; D316-R352 WeakPolarHBondContact OD2-CD 3.39Å; D316-R352 IonicContact OD2-CZ 2.74Å; D316-R352 IonicContact OD2-NE 2.81Å; D316-R352 IonicContact OD2-NH1 3.89Å; D316-R352 PolarHBondContact OD2-NH1 3.03Å; E324-R352 HydrophobicContact CG-CB 3.97Å; E324-R352 HydrophobicContact CG-CG 4.01Å; E324-R352 IonicContact OE1-CZ 3.32Å; E324-R352 IonicContact OE1-NE 3.15Å; E324-R352 PolarHBondContact OE1-NE 3.1Å; E324-R352 IonicContact OE1-NH2 3.82Å; E324-R352 PolarHBondContact OE1-NH2 3.04Å
353M95.2Very high75.9Confident0 Ų057 Ų570%032%0.323CS..EExtended strand (participates in β ladder)trans-127.8155.6-177.8-58.6-170.3-17500110.9L266 W267 F281 L288 I304 C322 F323 L325 Y351L266-M353 HydrophobicContact CD1-SD 3.9Å; W267-M353 CarbonylContact O-C 3.55Å; W267-M353 WeakPolarHBondContact O-CA 3.23Å; F281-M353 HydrophobicContact CE1-CE 3.72Å; F281-M353 HydrophobicContact CE1-SD 4.09Å; F281-M353 HydrophobicContact CZ-CE 4.13Å; F281-M353 HydrophobicContact CZ-SD 4.25Å; L288-M353 HydrophobicContact CD2-CE 3.68Å; L288-M353 HydrophobicContact CD2-SD 4.18Å; I304-M353 HydrophobicContact CD1-CE 3.87Å; C322-M353 CarbonylContact C-O 3.56Å; C322-M353 WeakPolarHBondContact CA-O 3.32Å; F323-M353 HydrophobicContact CD1-CB 4.22Å; F323-M353 HydrophobicContact CD2-CB 4.27Å; F323-M353 HydrophobicContact CE1-CB 3.79Å; F323-M353 HydrophobicContact CE2-CB 3.83Å; F323-M353 HydrophobicContact CE2-CG 4.21Å; F323-M353 HydrophobicContact CE2-SD 3.8Å; F323-M353 HydrophobicContact CG-CB 4.46Å; F323-M353 HydrophobicContact CZ-CB 3.59Å; F323-M353 HydrophobicContact CZ-CG 4.26Å; F323-M353 HydrophobicContact CZ-SD 3.86Å; F323-M353 PolarHBondContact N-O 2.88Å; F323-M353 PolarHBondContact O-N 2.66Å; L325-M353 HydrophobicContact CD1-CE 3.43Å; L325-M353 VanDerWaalsContact CD1-CE 3.43Å; L325-M353 HydrophobicContact CD1-SD 4.27Å; L325-M353 HydrophobicContact CG-CE 4.04Å; Y351-M353 HydrophobicContact CD1-CE 4.46Å
354A94.9Very high78.6Confident1 Ų152.5 Ų52.51%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-140130.8173.100000109.9W267 W276 R319 C322W267-A354 HydrophobicContact CB-CB 4.17Å; W267-A354 PolarHBondContact N-O 3.32Å; W267-A354 PolarHBondContact O-N 2.8Å; W276-A354 HydrophobicContact CH2-CB 3.94Å; W276-A354 HydrophobicContact CZ3-CB 3.86Å; R319-A354 HydrophobicContact CB-CB 3.95Å; C322-A354 VanDerWaalsContact SG-CB 3.53Å
355A91.8Very high81.3Confident5 Ų550.1 Ų50.14%0.04127%0.271CS..  trans-87.7159174.900000111.4L266 F321 T357 E360 R361L266-A355 HydrophobicContact CD2-CB 3.73Å; F321-A355 HydrophobicContact CB-CB 4.46Å; F321-A355 PolarHBondContact O-N 3.45Å; A355-T357 VanDerWaalsContact C-N 3.31Å; A355-T357 PolarHBondContact O-N 2.79Å; A355-E360 HydrophobicContact CB-CB 4.06Å; A355-R361 HydrophobicContact CB-CB 3.77Å
356P84.1Confident83.6Confident57 Ų5753.5 Ų53.537%0.3726%0.264SS..SBendtrans-61.2-33.8172.2-24.834.7000114.3W265 E360W265-P356 WeakPolarHBondContact O-CD 3.37Å; P356-E360 WeakPolarHBondContact CD-OE2 3.27Å; P356-E360 WeakPolarHBondContact CG-OE2 3.45Å
357T82.6Confident85.5Confident55 Ų5552 Ų5234%0.33726%0.257SS..SBendtrans-138.6163.7-176.369.20000111.9A355 I359 E360 R361A355-T357 VanDerWaalsContact C-N 3.31Å; A355-T357 PolarHBondContact O-N 2.79Å; T357-I359 VanDerWaalsContact C-N 3.3Å; T357-I359 PolarHBondContact O-N 3.18Å; T357-E360 PolarHBondContact O-N 2.93Å; T357-E360 WeakPolarHBondContact OG1-CB 3.34Å; T357-E360 WeakPolarHBondContact OG1-CG 3.48Å; T357-E360 PolarHBondContact OG1-N 3.41Å; T357-E360 VanDerWaalsContact OG1-N 3.09Å; T357-R361 PolarHBondContact O-N 2.92Å
358L84.1Confident87.3Confident87 Ų8745 Ų4546%0.45523%0.225SC..Hα-helixtrans-57.5-43.2172.5-168.778.5000111.8F321 R361 D362F321-L358 HydrophobicContact CD1-CB 3.99Å; F321-L358 HydrophobicContact CD1-CD1 3.9Å; F321-L358 HydrophobicContact CE1-CB 3.98Å; F321-L358 HydrophobicContact CE1-CD1 4.17Å; L358-R361 VanDerWaalsContact CD1-CZ 3.42Å; L358-R361 WeakPolarHBondContact O-CB 3.26Å; L358-R361 PolarHBondContact O-N 3.05Å; L358-D362 PolarHBondContact O-N 2.73Å
359I82.3Confident88.7Confident132 Ų13249.4 Ų49.468%0.67725%0.245SC*.Hα-helixtrans-64.2-48.7-178.8-59.8173.5000110.1T357 R361 D362 E363T357-I359 VanDerWaalsContact C-N 3.3Å; T357-I359 PolarHBondContact O-N 3.18Å; I359-R361 VanDerWaalsContact C-N 3.32Å; I359-R361 PolarHBondContact O-N 3.26Å; I359-D362 PolarHBondContact O-N 3.01Å; I359-E363 WeakPolarHBondContact O-CB 3.44Å; I359-E363 PolarHBondContact O-N 2.95Å
360E83.1Confident89.6Confident66 Ų6652.6 Ų52.631%0.30825%0.249SC..Hα-helixtrans-63.1-39.2178.2-74.6179.6-134.600111.5A355 P356 T357 D362 E363 W364A355-E360 HydrophobicContact CB-CB 4.06Å; P356-E360 WeakPolarHBondContact CD-OE2 3.27Å; P356-E360 WeakPolarHBondContact CG-OE2 3.45Å; T357-E360 PolarHBondContact O-N 2.93Å; T357-E360 WeakPolarHBondContact OG1-CB 3.34Å; T357-E360 WeakPolarHBondContact OG1-CG 3.48Å; T357-E360 PolarHBondContact OG1-N 3.41Å; T357-E360 VanDerWaalsContact OG1-N 3.09Å; E360-D362 PolarHBondContact O-N 3.07Å; E360-E363 PolarHBondContact O-N 3.27Å; E360-W364 WeakPolarHBondContact O-CB 3.44Å; E360-W364 PolarHBondContact O-N 3.01Å
361R92.4Very high89.8Confident44 Ų4451.1 Ų51.117%0.16624%0.24CC..Hα-helixtrans-57.5-51.7174.9-179.4-157.868-166.5-4.7111.1F321 F323 A355 T357 L358 I359 E363 W364 I365F321-R361 HydrophobicContact CB-CB 4.02Å; F321-R361 HydrophobicContact CB-CG 4.43Å; F321-R361 WeakPolarHBondContact O-CG 3.28Å; F323-R361 HydrophobicContact CD1-CG 3.96Å; A355-R361 HydrophobicContact CB-CB 3.77Å; T357-R361 PolarHBondContact O-N 2.92Å; L358-R361 VanDerWaalsContact CD1-CZ 3.42Å; L358-R361 WeakPolarHBondContact O-CB 3.26Å; L358-R361 PolarHBondContact O-N 3.05Å; I359-R361 VanDerWaalsContact C-N 3.32Å; I359-R361 PolarHBondContact O-N 3.26Å; R361-E363 VanDerWaalsContact C-N 3.29Å; R361-E363 PolarHBondContact O-N 2.97Å; R361-W364 PolarHBondContact O-N 2.78Å; R361-I365 HydrophobicContact CG-CD1 3.83Å; R361-I365 HydrophobicContact CG-CG1 4.5Å; R361-I365 VanDerWaalsContact O-CG1 3.3Å; R361-I365 WeakPolarHBondContact O-CG1 3.38Å; R361-I365 PolarHBondContact O-N 3.43Å
362D86.5Confident89.8Confident70 Ų7052 Ų5237%0.37425%0.245SC..Hα-helixtrans-67.1-34.9-175.4-69.2-15.4000111.3L358 I359 E360 R366L358-D362 PolarHBondContact O-N 2.73Å; I359-D362 PolarHBondContact O-N 3.01Å; E360-D362 PolarHBondContact O-N 3.07Å; D362-R366 VanDerWaalsContact O-CB 3.27Å; D362-R366 WeakPolarHBondContact O-CB 3.31Å; D362-R366 PolarHBondContact O-N 2.95Å
363E85.7Confident89.5Confident79 Ų7954 Ų5437%0.36926%0.258SS..Hα-helixtrans-64.9-47.6172.1-168.7175.8-174.200112.2H262 I359 E360 R361 I365 R366 M367H262-E363 IonicContact CE1-OE1 3.13Å; H262-E363 PolarHBondContact CE1-OE1 3.5Å; H262-E363 VanDerWaalsContact CE1-OE1 3.31Å; H262-E363 IonicContact CE1-OE2 2.66Å; H262-E363 IonicContact ND1-OE1 3.81Å; I359-E363 WeakPolarHBondContact O-CB 3.44Å; I359-E363 PolarHBondContact O-N 2.95Å; E360-E363 PolarHBondContact O-N 3.27Å; R361-E363 VanDerWaalsContact C-N 3.29Å; R361-E363 PolarHBondContact O-N 2.97Å; E363-I365 VanDerWaalsContact C-N 3.35Å; E363-I365 PolarHBondContact O-N 3.22Å; E363-R366 PolarHBondContact O-N 3.49Å; E363-M367 HydrophobicContact CG-CG 4.47Å; E363-M367 VanDerWaalsContact O-CG 3.3Å; E363-M367 WeakPolarHBondContact O-CG 3.32Å; E363-M367 PolarHBondContact O-N 3.25Å
364W93.6Very high89.2Confident1 Ų157.4 Ų57.40%0.00427%0.27CS..Hα-helixtrans-57.3-46.9175.6-89.5105.9000111.9H262 L266 F281 L283 L288 F323 E360 R361 M367 L368H262-W364 AromaticContact CD2-CD2 3.46Å; H262-W364 VanDerWaalsContact CD2-CD2 3.46Å; H262-W364 AromaticContact CD2-CE2 3.55Å; H262-W364 AromaticContact CD2-CE3 3.58Å; H262-W364 AromaticContact CD2-CH2 3.85Å; H262-W364 AromaticContact CD2-CZ2 3.78Å; H262-W364 AromaticContact CD2-CZ3 3.77Å; H262-W364 AromaticContact NE2-CD1 3.93Å; H262-W364 AromaticContact NE2-CD2 3.79Å; H262-W364 AromaticContact NE2-CE2 3.66Å; H262-W364 AromaticContact NE2-CG 3.99Å; H262-W364 AromaticContact NE2-NE1 3.74Å; L266-W364 HydrophobicContact CD1-CD2 3.72Å; L266-W364 HydrophobicContact CD1-CE3 4.08Å; L266-W364 HydrophobicContact CD1-CG 4.08Å; L266-W364 HydrophobicContact CD1-CZ2 4.13Å; L266-W364 HydrophobicContact CD1-CZ3 4.47Å; L266-W364 HydrophobicContact CD2-CD2 4.38Å; L266-W364 HydrophobicContact CD2-CG 4.04Å; L266-W364 HydrophobicContact CG-CD2 4.23Å; L266-W364 HydrophobicContact CG-CG 4.4Å; L266-W364 HydrophobicContact CG-CZ2 4.23Å; F281-W364 HydrophobicContact CB-CH2 3.4Å; F281-W364 HydrophobicContact CB-CZ2 3.82Å; F281-W364 HydrophobicContact CB-CZ3 4.12Å; L283-W364 HydrophobicContact CB-CZ3 4.2Å; L288-W364 HydrophobicContact CD1-CH2 4.47Å; L288-W364 HydrophobicContact CD1-CZ3 3.87Å; F323-W364 HydrophobicContact CE1-CB 4.39Å; F323-W364 HydrophobicContact CZ-CB 4.17Å; E360-W364 WeakPolarHBondContact O-CB 3.44Å; E360-W364 PolarHBondContact O-N 3.01Å; R361-W364 PolarHBondContact O-N 2.78Å; W364-M367 PolarHBondContact O-N 3.05Å; W364-L368 HydrophobicContact CE3-CD1 4.32Å; W364-L368 VanDerWaalsContact O-CB 3.32Å; W364-L368 WeakPolarHBondContact O-CB 3.31Å; W364-L368 WeakPolarHBondContact O-CD1 3.27Å; W364-L368 VanDerWaalsContact O-CG 3.24Å; W364-L368 WeakPolarHBondContact O-CG 3.48Å; W364-L368 PolarHBondContact O-N 3.02Å
365I94.3Very high88.8Confident15 Ų1558.2 Ų58.28%0.07727%0.274CS..Hα-helixtrans-60.1-51178.1-69.9171.1000110.2I311 L313 F323 R361 E363 M367 L368 E369I311-I365 HydrophobicContact CG2-CG1 4.09Å; I311-I365 HydrophobicContact CG2-CG2 4.17Å; L313-I365 HydrophobicContact CD2-CD1 3.34Å; L313-I365 HydrophobicContact CG-CD1 4.02Å; F323-I365 HydrophobicContact CB-CD1 3.98Å; F323-I365 HydrophobicContact CB-CG1 4.22Å; F323-I365 HydrophobicContact CD1-CG1 4.39Å; F323-I365 HydrophobicContact CD2-CG1 4.34Å; F323-I365 HydrophobicContact CG-CD1 4.31Å; F323-I365 HydrophobicContact CG-CG1 4.09Å; R361-I365 HydrophobicContact CG-CD1 3.83Å; R361-I365 HydrophobicContact CG-CG1 4.5Å; R361-I365 VanDerWaalsContact O-CG1 3.3Å; R361-I365 WeakPolarHBondContact O-CG1 3.38Å; R361-I365 PolarHBondContact O-N 3.43Å; E363-I365 VanDerWaalsContact C-N 3.35Å; E363-I365 PolarHBondContact O-N 3.22Å; I365-M367 VanDerWaalsContact C-N 3.31Å; I365-M367 PolarHBondContact O-N 3.33Å; I365-L368 PolarHBondContact O-N 2.98Å; I365-E369 HydrophobicContact CG2-CG 4.19Å; I365-E369 WeakPolarHBondContact O-CB 3.48Å; I365-E369 WeakPolarHBondContact O-CG 3.36Å; I365-E369 PolarHBondContact O-N 3.33Å
366R91.6Very high88.4Confident132 Ų13260.9 Ų60.950%0.49830%0.296SS..Hα-helixtrans-57.2-43.7-180-174.8-173.468.483.8-0.3112.1D362 E363 R370D362-R366 VanDerWaalsContact O-CB 3.27Å; D362-R366 WeakPolarHBondContact O-CB 3.31Å; D362-R366 PolarHBondContact O-N 2.95Å; E363-R366 PolarHBondContact O-N 3.49Å; R366-R370 WeakPolarHBondContact O-CB 3.01Å; R366-R370 PolarHBondContact O-N 3.45Å; R366-R370 VanDerWaalsContact O-N 3.09Å
367M92.3Very high88.3Confident13 Ų1363.4 Ų63.46%0.06430%0.303CS..Hα-helixtrans-70.6-39.7-180-65.4-56-67.300112I261 H262 L283 E363 W364 I365 R370 V371I261-M367 HydrophobicContact CG2-CE 3.19Å; H262-M367 HydrophobicContact CB-CB 3.99Å; H262-M367 HydrophobicContact CB-CE 4.35Å; H262-M367 HydrophobicContact CB-CG 3.98Å; L283-M367 HydrophobicContact CD2-CB 3.71Å; E363-M367 HydrophobicContact CG-CG 4.47Å; E363-M367 VanDerWaalsContact O-CG 3.3Å; E363-M367 WeakPolarHBondContact O-CG 3.32Å; E363-M367 PolarHBondContact O-N 3.25Å; W364-M367 PolarHBondContact O-N 3.05Å; I365-M367 VanDerWaalsContact C-N 3.31Å; I365-M367 PolarHBondContact O-N 3.33Å; M367-R370 PolarHBondContact O-N 2.92Å; M367-V371 WeakPolarHBondContact O-CG2 3.49Å; M367-V371 PolarHBondContact O-N 2.92Å
368L93.9Very high88.1Confident0 Ų066.8 Ų66.80%031%0.31CS..Hα-helixtrans-64.4-46.6175.4-76.2162.4000111.8L283 L288 L306 I311 F323 L325 W364 I365 R370 V371 T372L283-L368 HydrophobicContact CD1-CD2 3.74Å; L283-L368 HydrophobicContact CD2-CD2 4.47Å; L288-L368 HydrophobicContact CD1-CD2 4.44Å; L288-L368 HydrophobicContact CD2-CD2 4.09Å; L306-L368 HydrophobicContact CD1-CD2 4.16Å; L306-L368 HydrophobicContact CD2-CD2 4.06Å; I311-L368 HydrophobicContact CD1-CB 4.23Å; I311-L368 HydrophobicContact CG1-CB 4.16Å; F323-L368 HydrophobicContact CE2-CD1 3.79Å; F323-L368 HydrophobicContact CZ-CD1 4.28Å; L325-L368 HydrophobicContact CD2-CD1 4.09Å; W364-L368 HydrophobicContact CE3-CD1 4.32Å; W364-L368 VanDerWaalsContact O-CB 3.32Å; W364-L368 WeakPolarHBondContact O-CB 3.31Å; W364-L368 WeakPolarHBondContact O-CD1 3.27Å; W364-L368 VanDerWaalsContact O-CG 3.24Å; W364-L368 WeakPolarHBondContact O-CG 3.48Å; W364-L368 PolarHBondContact O-N 3.02Å; I365-L368 PolarHBondContact O-N 2.98Å; L368-R370 VanDerWaalsContact C-N 3.3Å; L368-R370 PolarHBondContact O-N 3.46Å; L368-V371 PolarHBondContact O-N 3.44Å; L368-V371 VanDerWaalsContact O-N 3.15Å; L368-T372 WeakPolarHBondContact O-CG2 3.1Å; L368-T372 PolarHBondContact O-N 3.02Å; L368-T372 PolarHBondContact O-OG1 3.15Å
369E92.9Very high87.3Confident98 Ų9868.7 Ų68.746%0.45831%0.311SS..Hα-helixtrans-59-40.9176.2-75.5177.1161.200111.9I311 I365 V371 T372 H373I311-E369 HydrophobicContact CB-CG 4.46Å; I311-E369 HydrophobicContact CD1-CG 3.92Å; I311-E369 HydrophobicContact CG1-CG 4.46Å; I365-E369 HydrophobicContact CG2-CG 4.19Å; I365-E369 WeakPolarHBondContact O-CB 3.48Å; I365-E369 WeakPolarHBondContact O-CG 3.36Å; I365-E369 PolarHBondContact O-N 3.33Å; E369-V371 VanDerWaalsContact C-N 3.3Å; E369-V371 PolarHBondContact O-N 3.46Å; E369-T372 WeakPolarHBondContact CA-OG1 3.39Å; E369-T372 PolarHBondContact O-N 3.11Å; E369-T372 PolarHBondContact O-OG1 2.94Å; E369-H373 WeakPolarHBondContact O-CB 3.25Å; E369-H373 PolarHBondContact O-N 3.35Å
370R90.2Very high86Confident143 Ų14364.7 Ų64.754%0.5430%0.302SS..Hα-helixtrans-60-40.5175.9-173.9-179.4-176.9-167.40.5112.2R366 M367 L368 R374R366-R370 WeakPolarHBondContact O-CB 3.01Å; R366-R370 PolarHBondContact O-N 3.45Å; R366-R370 VanDerWaalsContact O-N 3.09Å; M367-R370 PolarHBondContact O-N 2.92Å; L368-R370 VanDerWaalsContact C-N 3.3Å; L368-R370 PolarHBondContact O-N 3.46Å; R370-R374 WeakPolarHBondContact O-CB 3.41Å; R370-R374 PolarHBondContact O-N 2.98Å
371V91.1Very high84.4Confident1 Ų166.7 Ų66.71%0.00632%0.319CS..Hα-helixtrans-74.3-46.7179.6173.40000111I261 L283 E285 L306 M367 L368 E369 H373 R374 L375I261-V371 HydrophobicContact CD1-CG2 3.54Å; I261-V371 HydrophobicContact CG2-CG2 4.37Å; L283-V371 HydrophobicContact CD1-CB 4.37Å; L283-V371 HydrophobicContact CD1-CG1 4.44Å; L283-V371 HydrophobicContact CD1-CG2 4.12Å; L283-V371 HydrophobicContact CD2-CG2 3.96Å; L283-V371 HydrophobicContact CG-CG2 4.11Å; E285-V371 WeakPolarHBondContact O-CG1 3.36Å; L306-V371 HydrophobicContact CD1-CB 4.41Å; L306-V371 HydrophobicContact CD1-CG1 3.76Å; M367-V371 WeakPolarHBondContact O-CG2 3.49Å; M367-V371 PolarHBondContact O-N 2.92Å; L368-V371 PolarHBondContact O-N 3.44Å; L368-V371 VanDerWaalsContact O-N 3.15Å; E369-V371 VanDerWaalsContact C-N 3.3Å; E369-V371 PolarHBondContact O-N 3.46Å; V371-H373 VanDerWaalsContact C-N 3.34Å; V371-H373 PolarHBondContact O-N 2.94Å; V371-R374 PolarHBondContact O-N 3.38Å; V371-L375 HydrophobicContact CG1-CD1 4.06Å; V371-L375 HydrophobicContact CG1-CG 4.48Å; V371-L375 WeakPolarHBondContact O-CG 3.29Å; V371-L375 PolarHBondContact O-N 3.24Å
372T89.4Confident82.1Confident19 Ų1975.3 Ų75.312%0.11735%0.352CS..Hα-helixtrans-64.7-38-179.4570000112L306 I309 I311 L368 E369 L375 A376L306-T372 HydrophobicContact CB-CG2 4.15Å; I309-T372 HydrophobicContact CB-CG2 4.3Å; I309-T372 WeakPolarHBondContact O-CB 3.48Å; I309-T372 VanDerWaalsContact O-CG2 3.32Å; I309-T372 WeakPolarHBondContact O-CG2 3.26Å; I311-T372 HydrophobicContact CD1-CG2 3.99Å; L368-T372 WeakPolarHBondContact O-CG2 3.1Å; L368-T372 PolarHBondContact O-N 3.02Å; L368-T372 PolarHBondContact O-OG1 3.15Å; E369-T372 WeakPolarHBondContact CA-OG1 3.39Å; E369-T372 PolarHBondContact O-N 3.11Å; E369-T372 PolarHBondContact O-OG1 2.94Å; T372-L375 PolarHBondContact O-N 3.43Å; T372-A376 PolarHBondContact O-N 3.23Å
373H88.2Confident80Confident116 Ų11676.8 Ų76.854%0.53737%0.367SS..Hα-helixtrans-60.6-48.4173.7-171.9-89.5000111.8E369 V371 L375 A376 E377E369-H373 WeakPolarHBondContact O-CB 3.25Å; E369-H373 PolarHBondContact O-N 3.35Å; V371-H373 VanDerWaalsContact C-N 3.34Å; V371-H373 PolarHBondContact O-N 2.94Å; H373-L375 VanDerWaalsContact C-N 3.31Å; H373-L375 PolarHBondContact O-N 3.14Å; H373-A376 WeakPolarHBondContact O-CB 3.4Å; H373-A376 PolarHBondContact O-N 2.97Å; H373-A376 VanDerWaalsContact O-N 3.09Å; H373-E377 IonicContact CE1-OE1 2.84Å; H373-E377 PolarHBondContact CE1-OE1 2.93Å; H373-E377 IonicContact ND1-OE1 2.7Å; H373-E377 PolarHBondContact ND1-OE1 3.43Å; H373-E377 IonicContact ND1-OE2 2.99Å; H373-E377 WeakPolarHBondContact O-CG 3.45Å; H373-E377 PolarHBondContact O-N 3.26Å
374R87.7Confident77.6Confident71 Ų7180.2 Ų80.227%0.26839%0.387SS..Hα-helixtrans-59.8-40.1177.8-171.4-169.1-56.5-179.41.8112.3R370 V371 A376 E377 R378R370-R374 WeakPolarHBondContact O-CB 3.41Å; R370-R374 PolarHBondContact O-N 2.98Å; V371-R374 PolarHBondContact O-N 3.38Å; R374-A376 VanDerWaalsContact C-N 3.34Å; R374-E377 PolarHBondContact O-N 3.44Å; R374-R378 WeakPolarHBondContact O-CG 3.25Å; R374-R378 PolarHBondContact O-N 2.94Å
375L87.2Confident74.7Confident18 Ų1884.9 Ų84.99%0.09442%0.42CS..Hα-helixtrans-67.7-35.4176.4-67.8172.3000111.9L306 V371 T372 H373 R379L306-L375 HydrophobicContact CB-CD1 3.84Å; V371-L375 HydrophobicContact CG1-CD1 4.06Å; V371-L375 HydrophobicContact CG1-CG 4.48Å; V371-L375 WeakPolarHBondContact O-CG 3.29Å; V371-L375 PolarHBondContact O-N 3.24Å; T372-L375 PolarHBondContact O-N 3.43Å; H373-L375 VanDerWaalsContact C-N 3.31Å; H373-L375 PolarHBondContact O-N 3.14Å; L375-R379 PolarHBondContact O-N 2.95Å
376A83.8Confident71.9Confident61 Ų6190.2 Ų90.250%0.50445%0.453SS..Hα-helixtrans-66.6-42.217500000112.1T372 H373 R374 R378 R379 G380T372-A376 PolarHBondContact O-N 3.23Å; H373-A376 WeakPolarHBondContact O-CB 3.4Å; H373-A376 PolarHBondContact O-N 2.97Å; H373-A376 VanDerWaalsContact O-N 3.09Å; R374-A376 VanDerWaalsContact C-N 3.34Å; A376-R378 VanDerWaalsContact C-N 3.34Å; A376-R378 PolarHBondContact O-N 3.41Å; A376-R379 WeakPolarHBondContact O-CB 3.45Å; A376-R379 PolarHBondContact O-N 2.94Å; A376-R379 VanDerWaalsContact O-N 3.15Å; A376-G380 PolarHBondContact O-N 3.27Å
377E81.1Confident68.9Low110 Ų11090.7 Ų90.751%0.51447%0.465SS..Hα-helixtrans-59.9-42.3176.5-71.1174149.300112.2H373 R374 R379 G380 T381H373-E377 IonicContact CE1-OE1 2.84Å; H373-E377 PolarHBondContact CE1-OE1 2.93Å; H373-E377 IonicContact ND1-OE1 2.7Å; H373-E377 PolarHBondContact ND1-OE1 3.43Å; H373-E377 IonicContact ND1-OE2 2.99Å; H373-E377 WeakPolarHBondContact O-CG 3.45Å; H373-E377 PolarHBondContact O-N 3.26Å; R374-E377 PolarHBondContact O-N 3.44Å; E377-R379 PolarHBondContact O-N 2.88Å; E377-G380 PolarHBondContact O-N 3.32Å; E377-G380 VanDerWaalsContact O-N 3.09Å; E377-T381 PolarHBondContact O-N 3.16Å; E377-T381 VanDerWaalsContact O-N 3.15Å; E377-T381 PolarHBondContact O-OG1 2.92Å
378R78.2Confident66.2Low127 Ų12796 Ų9648%0.47950%0.502SS..Hα-helixtrans-61.9-29.8177.1-73.8177.8175.6176.8-1.3113R374 A376R374-R378 WeakPolarHBondContact O-CG 3.25Å; R374-R378 PolarHBondContact O-N 2.94Å; A376-R378 VanDerWaalsContact C-N 3.34Å; A376-R378 PolarHBondContact O-N 3.41Å
379R67.6Low63.3Low127 Ų127102.8 Ų102.848%0.47954%0.544SS..Hα-helixtrans-73.4-36.9173.5-76.4-177.1167.4179.3-3.1112E307 L375 A376 E377E307-R379 VanDerWaalsContact CD-NE 3.32Å; E307-R379 VanDerWaalsContact CG-CZ 3.48Å; E307-R379 IonicContact OE1-CZ 3.94Å; E307-R379 IonicContact OE1-NE 3.7Å; E307-R379 PolarHBondContact OE1-NE 3.41Å; E307-R379 IonicContact OE1-NH2 2.83Å; E307-R379 PolarHBondContact OE1-NH2 2.95Å; E307-R379 IonicContact OE2-CZ 2.68Å; E307-R379 IonicContact OE2-NH2 2.84Å; E307-R379 PolarHBondContact OE2-NH2 2.87Å; L375-R379 PolarHBondContact O-N 2.95Å; A376-R379 WeakPolarHBondContact O-CB 3.45Å; A376-R379 PolarHBondContact O-N 2.94Å; A376-R379 VanDerWaalsContact O-N 3.15Å; E377-R379 PolarHBondContact O-N 2.88Å
380G55.1Low60.6Low48 Ų48101.9 Ų101.950%0.49556%0.561SS.*Hα-helixtrans-65.4-37.9177.700000113.2A376 E377A376-G380 PolarHBondContact O-N 3.27Å; E377-G380 PolarHBondContact O-N 3.32Å; E377-G380 VanDerWaalsContact O-N 3.09Å
381T49.6Very low58Low108 Ų108100.4 Ų100.466%0.66357%0.573SS**Hα-helixtrans-77.4-28.6-178.110.90000113.8E377 S383E377-T381 PolarHBondContact O-N 3.16Å; E377-T381 VanDerWaalsContact O-N 3.15Å; E377-T381 PolarHBondContact O-OG1 2.92Å; T381-S383 VanDerWaalsContact C-N 3.26Å; T381-S383 PolarHBondContact O-N 3.41Å
382R44.9Very low55.5Low224 Ų224105.8 Ų105.885%0.84561%0.61SS**THydrogen-bonded Turntrans-78.5-5.9177.8-76.5-177.1175.9172.6-1.1114.3
383S41.6Very low53.2Low101 Ų101110.5 Ų110.571%0.70664%0.644SS**THydrogen-bonded Turntrans-98.46.3179.8-167.20000114.1T381T381-S383 VanDerWaalsContact C-N 3.26Å; T381-S383 PolarHBondContact O-N 3.41Å
384I35.6Very low50.8Low151 Ų151110.6 Ų110.677%0.77466%0.658SS**  trans-11474.1175.7-50.6176.6000108.8
385S32Very low48.5Very low100 Ų100111.9 Ų111.970%0.69968%0.683SS**  trans-147.1108155.971.40000107.3
386V35.1Very low46.3Very low127 Ų127116.4 Ų116.477%0.7771%0.712SS**  trans164.4111.5153165.80000106.9
387D29Very low44.3Very low141 Ų141121.5 Ų121.575%0.75473%0.729SS**  trans54.7120.2148.4-49.9-20.5000121.4
388C35.8Very low42.2Very low124 Ų124120 Ų12084%0.83874%0.744SS**  169140.398.9-90.80000112.3
389T33.5Very low40.1Very low144 Ų144119.3 Ų119.388%0.88376%0.758SS**  trans-43.7143.4169.550.40000116
390G35.5Very low38.7Very low79 Ų79119.6 Ų119.681%0.81477%0.774SS**  trans-177107.3166.200000113.1
391S35.7Very low37.9Very low112 Ų112121.8 Ų121.878%0.78378%0.781SS**  trans-72.2171.2-172.6-51.20000115.9
392S39.8Very low37.4Very low113 Ų113124.4 Ų124.479%0.7979%0.786SS**  trans90.2135.7156.8-22.30000114.4
393S40.4Very low37.1Very low118 Ų118122.6 Ų122.683%0.82579%0.787SS**  cis-169.6157.622.23.20000110.7
394S38Very low36.9Very low119 Ų119125.7 Ų125.783%0.83279%0.79SS**  trans-71.5154.6-175.9-30.30000116.2
395A39.7Very low36.9Very low97 Ų97127.5 Ų127.580%0.80279%0.794SS**  trans167157.9131.100000110.7
396T41Very low37Very low114 Ų114134.4 Ų134.470%0.69981%0.805SS**  cis173.6123.3-31.8-79.40000105.1
397I40.8Very low36.6Very low167 Ų167136.2 Ų136.286%0.85681%0.81SS**  trans63.5132.2147.6-58.3167000121.1
398G36.4Very low36.9Very low80 Ų80135.1 Ų135.183%0.82581%0.81SS**  trans178.199.3153.600000113.6
399S34.3Very low36.8Very low111 Ų111134.5 Ų134.578%0.77681%0.805SS**  trans-104.6144.2178.2168.80000110.7
400T39.2Very low36.6Very low134 Ų134133.8 Ų133.882%0.82280%0.802SS**  trans159.2148.6151.437.20000108.5
401S39Very low36.5Very low93 Ų93136.8 Ų136.865%0.6580%0.804SS**  cis179.3142-19.554.30000106.4
402H37.2Very low36.3Very low163 Ų163136.1 Ų136.176%0.75580%0.8SS**  trans49.4121.6152.3-64.1-57.1000122.4
403H39.7Very low35.7Very low186 Ų186135.8 Ų135.886%0.86180%0.797SS**  -156.9124120.4-103.3-54.5000111.8
404H37.1Very low35.1Very low167 Ų167138.9 Ų138.977%0.77380%0.804SS**  trans-76.5133.4166.9-85.3-76.5000110.3
405H36.7Very low34.7Very low188 Ų188137.6 Ų137.687%0.8780%0.795SS**  trans-138142.4150-90-67000111
406R32.3Very low34.3Very low246 Ų246140.8 Ų140.893%0.92880%0.798SS**  trans-93.8145.9-163.7-147.2178-168.2-141.84.3110
407L28.5Very low33.7Very low165 Ų165145.8 Ų145.886%0.86480%0.804SS**  trans-65.2167.2-179.7-68.9155.5000115.1
408P34.7Very low33.1Very low117 Ų117146.4 Ų146.476%0.7680%0.795SS**  trans-125.8167137.629-10.9000113.8
409P33.2Very low32.8Very low112 Ų112149.7 Ų149.773%0.72779%0.794SS**  trans-90174.8-154.538.2-35.6000114.8
410P29.8Very low32.5Very low129 Ų129147.6 Ų147.684%0.83879%0.79SS**  trans-84.8145.2-169.934.3-31.3000112.6
411V33Very low32.1Very low141 Ų141145.8 Ų145.886%0.85579%0.789SS**  trans-98.3123.1178.3-168.50000110.4
412S31.1Very low31.6Very low99 Ų99145.2 Ų145.269%0.69280%0.798SS**  trans-12.6131.6162.3-42.80000120.9
413S27.3Very low31.4Very low105 Ų105142.9 Ų142.973%0.73480%0.8SS**  50.7111.1129.167.90000120.4
414L29Very low31.2Very low183 Ų183140.8 Ų140.896%0.95879%0.79SS**  trans-140.8117.7143.2-82.7175.3000110.5
415S29Very low31Very low92 Ų92138.1 Ų138.164%0.64379%0.787SS**  trans-73.9128.517954.70000112.5R417S415-R417 PolarHBondContact O-N 2.96Å
416L30.9Very low30.8Very low165 Ų165137.1 Ų137.186%0.86479%0.789SS**  trans-76.799.2151.3-86.8139.2000107R418L416-R418 PolarHBondContact O-N 3.24Å
417R28.8Very low30.9Very low219 Ų219128.6 Ų128.683%0.82676%0.761SS**  trans-70.1118.2177.7-92.6-176.7171.5-175.9-2.8110.2S415 N419S415-R417 PolarHBondContact O-N 2.96Å; R417-N419 PolarHBondContact O-N 3.39Å
418R28.5Very low31.1Very low179 Ų179125.7 Ų125.768%0.67575%0.752SS**  trans-63.9110.2159.7-165176-166.2173.17108.4E223 L416E223-R418 IonicContact OE1-CZ 3.68Å; E223-R418 IonicContact OE1-NH2 3.45Å; E223-R418 PolarHBondContact OE1-NH2 3.44Å; L416-R418 PolarHBondContact O-N 3.24Å
419N30.6Very low30.8Very low149 Ų149125.6 Ų125.680%0.79775%0.754SS**  trans-91.7113.3157.2-86.1-7.9000107.2R417R417-N419 PolarHBondContact O-N 3.39Å
420G27.8Very low30.9Very low67 Ų67125.1 Ų125.169%0.69174%0.742SS**  trans-64.3160.917100000111.9
421A29.9Very low31Very low97 Ų97128.1 Ų128.180%0.80275%0.745SS**SBendtrans80.983.9-176.700000114.9S423A421-S423 PolarHBondContact O-N 2.85Å
422G29.2Very low31Very low81 Ų81126 Ų12684%0.83574%0.737SS**SBendtrans39.874152.100000116.2
423S32Very low31.3Very low114 Ų114122.7 Ų122.780%0.79771%0.712SS**  trans-163.4135165.9-73.60000109A421A421-S423 PolarHBondContact O-N 2.85Å
424Q35.3Very low31.6Very low142 Ų142120.5 Ų120.566%0.66469%0.692SS**  trans-46.5147.5-179.9-84.2172.1-67.600113.2D426Q424-D426 PolarHBondContact O-N 2.85Å
425P34.6Very low31.7Very low110 Ų110119.5 Ų119.571%0.71469%0.687SS**  trans-65.7115.9162.827.3-29.1000109.1L427P425-L427 PolarHBondContact O-N 2.84Å; P425-L427 VanDerWaalsContact O-N 3.09Å
426D31.3Very low31.8Very low168 Ų168120.9 Ų120.990%0.89869%0.689SS**  trans-60.1110.2171.6-94.8-33.6000109.8Q424Q424-D426 PolarHBondContact O-N 2.85Å
427L35.5Very low31.9Very low67 Ų67118.5 Ų118.535%0.35168%0.68SS.*  trans-88.7130.8177.6-95.9153.7000110.5Y186 P425 S429Y186-L427 HydrophobicContact CE1-CD2 4.4Å; Y186-L427 HydrophobicContact CE2-CD1 4.11Å; Y186-L427 WeakPolarHBondContact OH-CD1 3.34Å; Y186-L427 WeakPolarHBondContact OH-CD2 3.17Å; P425-L427 PolarHBondContact O-N 2.84Å; P425-L427 VanDerWaalsContact O-N 3.09Å; L427-S429 PolarHBondContact O-N 3.49Å
428P30.9Very low32.1Very low104 Ų104112.9 Ų112.968%0.67567%0.672SS**  trans-59.2127.6173.121.1-30.8000110.7Q430P428-Q430 PolarHBondContact O-N 3.41Å
429S30Very low32.3Very low114 Ų114109.1 Ų109.180%0.79767%0.672SS**  trans-62.596.7-176.9-37.10000111.2L427 Q431L427-S429 PolarHBondContact O-N 3.49Å; S429-Q431 PolarHBondContact O-N 2.89Å
430Q35.4Very low32.4Very low103 Ų103106.6 Ų106.648%0.48166%0.664SS.*  trans-90.978.6173.6-71.2-156.5-14.700110.9P428 S432 V433P428-Q430 PolarHBondContact O-N 3.41Å; Q430-S432 PolarHBondContact O-N 3.24Å; Q430-V433 HydrophobicContact CB-CG2 4.02Å
431Q31.5Very low32.7Very low192 Ų192109.2 Ų109.290%0.89766%0.662SS**THydrogen-bonded Turntrans-75.19.9177.8-92.9-178.1-16.800115.2S429S429-Q431 PolarHBondContact O-N 2.89Å
432S33.2Very low32.9Very low97 Ų97110.1 Ų110.168%0.67865%0.652SS**THydrogen-bonded Turntrans-137.220.7-169.273.90000116.5Q430Q430-S432 PolarHBondContact O-N 3.24Å
433V36.5Very low33.2Very low29 Ų29112.3 Ų112.318%0.17664%0.638CS.*SBendtrans-125.7-7.6-158.9-169.10000115.1T193 N197 Q430T193-V433 HydrophobicContact CG2-CG1 3.23Å; N197-V433 WeakPolarHBondContact ND2-CG1 3.28Å; Q430-V433 HydrophobicContact CB-CG2 4.02Å
434L33.3Very low33.3Very low58 Ų58112.2 Ų112.230%0.30463%0.625SS.*  trans-127.327.1178.2-72.6170.5000114.1L149L149-L434 HydrophobicContact CD2-CD1 4.16Å
435N31.8Very low33.1Very low162 Ų162109.5 Ų109.587%0.86662%0.622SS**  trans-109.40168.4-83.6-6.8000111.5

Retrieved 435 of 435 residues in 556.9 ms (Link to these results)

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