A0AA82N0A7_SCHMA Loading...

SANT domain-containing protein

AlphaFold DB (A0A5K4F4X7), UniProt , Accession A0AA82N0A7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 688 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
1M30.9Very low66.8Low233 Ų233106.3 Ų106.3100%1.14852%0.523SS*.  02.90-83.9-146172.600115.4
2F39.5Very low68.5Low192 Ų192107.7 Ų107.784%0.84253%0.533SS*.  trans-136.790.3161.3-58.9-78.8000106.8K4F2-K4 PolarHBondContact O-N 3.2Å
3S45.3Very low70Confident84 Ų84108.9 Ų108.959%0.58754%0.537SS*.  trans-54.4106.8148.438.50000103.2L5S3-L5 WeakPolarHBondContact O-CD1 3.34Å; S3-L5 PolarHBondContact O-N 3.16Å
4K50.7Low71.1Confident194 Ų194109.4 Ų109.484%0.84353%0.534SS*.  trans-76.277.8-165.1-154.6177.6-167.4176.90105.4F2 S6F2-K4 PolarHBondContact O-N 3.2Å; K4-S6 PolarHBondContact O-N 3.09Å
5L54.7Low71.8Confident76 Ų76102.3 Ų102.340%0.39850%0.5SS..  trans-48119.4-172.5-73.9113.1000107.4S3 K7 K14 D57S3-L5 WeakPolarHBondContact O-CD1 3.34Å; S3-L5 PolarHBondContact O-N 3.16Å; L5-K7 VanDerWaalsContact C-N 3.28Å; L5-K7 PolarHBondContact O-N 2.93Å; L5-K14 HydrophobicContact CD2-CD 3.68Å; L5-K14 HydrophobicContact CD2-CG 4.32Å; L5-D57 WeakPolarHBondContact CA-OD2 3.33Å; L5-D57 WeakPolarHBondContact CB-OD2 3.47Å; L5-D57 WeakPolarHBondContact CD2-OD2 3.18Å; L5-D57 WeakPolarHBondContact CG-OD2 3.14Å
6S72.7Confident72.1Confident13 Ų13101.9 Ų101.99%0.09151%0.511CS..  trans-69.195.4-176.149.40000107.9K4 I15 S55K4-S6 PolarHBondContact O-N 3.09Å; S6-I15 VanDerWaalsContact O-CB 3.27Å; S6-I15 WeakPolarHBondContact O-CB 3.33Å; S6-I15 VanDerWaalsContact O-CG1 3.26Å; S6-I15 WeakPolarHBondContact O-CG1 3.5Å; S6-I15 PolarHBondContact O-N 3.35Å; S6-S55 PolarHBondContact OG-OG 3.31Å
7K85.6Confident72.3Confident129 Ų12997.1 Ų97.156%0.56149%0.492SS*.BIsolated β-bridgetrans-82.2147.7171.1-66.4178.9-179.6-174.20109.1L5 C9 E13L5-K7 VanDerWaalsContact C-N 3.28Å; L5-K7 PolarHBondContact O-N 2.93Å; K7-C9 PolarHBondContact O-N 3.41Å; K7-E13 CarbonylContact C-O 3.54Å; K7-E13 VanDerWaalsContact CA-O 3.27Å; K7-E13 WeakPolarHBondContact CA-O 3.39Å
8C89.7Confident73Confident1 Ų196.9 Ų96.91%0.00749%0.488CS..  trans-64.9129.5171.5-179.50000109.2Y10 C11 L12 E13 I15 C31 C34C8-Y10 PolarHBondContact O-N 2.99Å; C8-Y10 VanDerWaalsContact O-N 3.12Å; C8-Y10 PolarHBondContact SG-N 2.91Å; C8-C11 WeakPolarHBondContact CB-SG 3.14Å; C8-L12 WeakPolarHBondContact O-CA 3.27Å; C8-L12 PolarHBondContact O-N 3.21Å; C8-E13 PolarHBondContact N-O 3.33Å; C8-I15 HydrophobicContact CB-CD1 4.34Å; C8-I15 HydrophobicContact CB-CG1 4.02Å; C8-C31 HydrophobicContact CB-CB 4.23Å; C8-C31 PolarHBondContact SG-N 3.22Å; C8-C34 VanDerWaalsContact SG-SG 3.66Å
9C87Confident73.8Confident65 Ų6592 Ų9244%0.43946%0.463SS..THydrogen-bonded Turntrans-63-16.9177-66.50000113.3K7 V27 K29K7-C9 PolarHBondContact O-N 3.41Å; C9-V27 PolarHBondContact SG-O 3.47Å; C9-K29 PolarHBondContact N-O 3.42Å; C9-K29 PolarHBondContact SG-N 3.48Å; C9-K29 VanDerWaalsContact SG-N 3.37Å; C9-K29 PolarHBondContact SG-O 2.97Å; C9-K29 VanDerWaalsContact SG-O 3.34Å
10Y88.1Confident74.6Confident138 Ų13887.9 Ų87.954%0.54144%0.443SS..THydrogen-bonded Turntrans-101.4-64.9-177.3-159.4-94.6000112.7C8 L12 V39C8-Y10 PolarHBondContact O-N 2.99Å; C8-Y10 VanDerWaalsContact O-N 3.12Å; C8-Y10 PolarHBondContact SG-N 2.91Å; Y10-L12 VanDerWaalsContact C-N 3.28Å; Y10-L12 PolarHBondContact O-N 3.22Å; Y10-V39 HydrophobicContact CD1-CB 4.07Å; Y10-V39 HydrophobicContact CD1-CG1 3.58Å; Y10-V39 HydrophobicContact CD1-CG2 4.46Å; Y10-V39 HydrophobicContact CD2-CB 3.81Å; Y10-V39 HydrophobicContact CD2-CG1 4.24Å; Y10-V39 HydrophobicContact CD2-CG2 4.1Å; Y10-V39 HydrophobicContact CE1-CB 4.12Å; Y10-V39 HydrophobicContact CE1-CG1 3.51Å; Y10-V39 HydrophobicContact CE2-CB 3.87Å; Y10-V39 HydrophobicContact CE2-CG1 4.19Å; Y10-V39 HydrophobicContact CG-CB 3.9Å; Y10-V39 HydrophobicContact CG-CG1 3.94Å; Y10-V39 HydrophobicContact CG-CG2 3.99Å
11C90.4Very high75.4Confident44 Ų4484.9 Ų84.930%0.29743%0.429SS..THydrogen-bonded Turntrans-78.7-8.8179.164.40000113.9C8 E13C8-C11 WeakPolarHBondContact CB-SG 3.14Å; C11-E13 HydrophobicContact CB-CG 4.18Å; C11-E13 PolarHBondContact O-N 3.4Å
12L87.7Confident78.3Confident123 Ų12374.2 Ų74.264%0.64438%0.377SS*.  trans60.23-176.9-51.4178.3000115C8 Y10C8-L12 WeakPolarHBondContact O-CA 3.27Å; C8-L12 PolarHBondContact O-N 3.21Å; Y10-L12 VanDerWaalsContact C-N 3.28Å; Y10-L12 PolarHBondContact O-N 3.22Å
13E88Confident80.7Confident124 Ų12469 Ų6958%0.57936%0.361SS*.PPolyproline II helixtrans-72.9156.1173.6-60179.5161.300111.3K7 C8 C11 I15K7-E13 CarbonylContact C-O 3.54Å; K7-E13 VanDerWaalsContact CA-O 3.27Å; K7-E13 WeakPolarHBondContact CA-O 3.39Å; C8-E13 PolarHBondContact N-O 3.33Å; C11-E13 HydrophobicContact CB-CG 4.18Å; C11-E13 PolarHBondContact O-N 3.4Å; E13-I15 PolarHBondContact O-N 2.78Å
14K84.7Confident83Confident116 Ų11670.1 Ų70.150%0.50436%0.357SS..BIsolated β-bridgetrans-63.7132.1173.5-178.1179.4174.2174.40109.7L5L5-K14 HydrophobicContact CD2-CD 3.68Å; L5-K14 HydrophobicContact CD2-CG 4.32Å
15I82.2Confident84.8Confident2 Ų261.7 Ų61.71%0.0132%0.322CS..PPolyproline II helixtrans-83.5118.7173.3-53.4168.2000108.9S6 C8 E13 F18 C19 K29 C31 S55S6-I15 VanDerWaalsContact O-CB 3.27Å; S6-I15 WeakPolarHBondContact O-CB 3.33Å; S6-I15 VanDerWaalsContact O-CG1 3.26Å; S6-I15 WeakPolarHBondContact O-CG1 3.5Å; S6-I15 PolarHBondContact O-N 3.35Å; C8-I15 HydrophobicContact CB-CD1 4.34Å; C8-I15 HydrophobicContact CB-CG1 4.02Å; E13-I15 PolarHBondContact O-N 2.78Å; I15-F18 VanDerWaalsContact CG2-O 3.23Å; I15-F18 WeakPolarHBondContact CG2-O 3.46Å; I15-C19 HydrophobicContact CB-CB 4.45Å; I15-C19 HydrophobicContact CD1-CB 3.6Å; I15-C19 HydrophobicContact CG2-CB 3.78Å; I15-K29 HydrophobicContact CD1-CB 4.3Å; I15-C31 HydrophobicContact CG1-CB 4.13Å; I15-C31 HydrophobicContact CG2-CB 4.35Å; I15-S55 PolarHBondContact O-OG 3.43Å
16S75.8Confident86Confident97 Ų9763.2 Ų63.268%0.67834%0.339SS*.PPolyproline II helixtrans-98.3136.117056.50000110.7F18S16-F18 PolarHBondContact O-N 3.49Å; S16-F18 VanDerWaalsContact O-N 3.12Å
17G77Confident86.4Confident19 Ų1968.8 Ų68.820%0.19637%0.372CS..SBendtrans80-89.1175.300000113.2R54 S55 D58G17-R54 CarbonylContact O-C 3.54Å; G17-R54 WeakPolarHBondContact O-CA 3.39Å; G17-S55 PolarHBondContact O-N 3.14Å; G17-D58 VanDerWaalsContact C-OD2 3.32Å; G17-D58 WeakPolarHBondContact CA-OD2 3.29Å; G17-D58 VanDerWaalsContact N-CG 3.33Å; G17-D58 PolarHBondContact N-OD1 3.11Å; G17-D58 PolarHBondContact N-OD2 3.37Å
18F83.9Confident86.5Confident94 Ų9464.1 Ų64.141%0.41235%0.353SS..EExtended strand (participates in β ladder)trans-121.8133.9-173-61.9-83.7000111.8I15 S16 V32 I52 K53 R54I15-F18 VanDerWaalsContact CG2-O 3.23Å; I15-F18 WeakPolarHBondContact CG2-O 3.46Å; S16-F18 PolarHBondContact O-N 3.49Å; S16-F18 VanDerWaalsContact O-N 3.12Å; F18-V32 HydrophobicContact CB-CG2 4.22Å; F18-I52 HydrophobicContact CB-CG2 4.15Å; F18-I52 HydrophobicContact CD1-CG2 3.96Å; F18-I52 HydrophobicContact CG-CG2 4.37Å; F18-K53 WeakPolarHBondContact CA-O 2.95Å; F18-R54 HydrophobicContact CD1-CG 3.68Å; F18-R54 HydrophobicContact CE1-CG 3.37Å; F18-R54 HydrophobicContact CZ-CG 4.12Å
19C87.8Confident86.5Confident4 Ų467.5 Ų67.53%0.02737%0.368CS..EExtended strand (participates in β ladder)trans-111.3148169.470.60000110.4I15 K53I15-C19 HydrophobicContact CB-CB 4.45Å; I15-C19 HydrophobicContact CD1-CB 3.6Å; I15-C19 HydrophobicContact CG2-CB 3.78Å; C19-K53 PolarHBondContact N-O 2.85Å; C19-K53 PolarHBondContact O-N 2.91Å; C19-K53 VanDerWaalsContact O-O 3.11Å; C19-K53 PolarHBondContact SG-O 2.91Å; C19-K53 VanDerWaalsContact SG-O 3.4Å
20I90.6Very high86.7Confident10 Ų1064.8 Ų64.85%0.05135%0.349CS..EExtended strand (participates in β ladder)trans-106.3117177.3-64.6162.1000106.6K29 I30 V32 F35 Y50 I52I20-K29 WeakPolarHBondContact O-CA 3.11Å; I20-I30 HydrophobicContact CB-CG1 4Å; I20-I30 HydrophobicContact CG2-CG1 4.31Å; I20-I30 PolarHBondContact N-O 3.16Å; I20-I30 PolarHBondContact O-N 3.17Å; I20-V32 HydrophobicContact CD1-CG2 4.34Å; I20-F35 HydrophobicContact CD1-CB 3.29Å; I20-F35 HydrophobicContact CD1-CD1 3.41Å; I20-F35 VanDerWaalsContact CD1-CD1 3.41Å; I20-F35 HydrophobicContact CD1-CD2 4.02Å; I20-F35 HydrophobicContact CD1-CE1 4.18Å; I20-F35 HydrophobicContact CD1-CG 3.3Å; I20-F35 HydrophobicContact CG1-CB 4.49Å; I20-F35 HydrophobicContact CG1-CG 4.45Å; I20-F35 HydrophobicContact CG2-CD2 3.79Å; I20-F35 HydrophobicContact CG2-CE2 4.04Å; I20-F35 HydrophobicContact CG2-CG 4.23Å; I20-Y50 HydrophobicContact CG2-CD2 3.78Å; I20-Y50 HydrophobicContact CG2-CG 3.95Å; I20-I52 HydrophobicContact CG1-CG1 4.42Å
21V90.4Very high86.8Confident24 Ų2459 Ų5915%0.14533%0.328CS..EExtended strand (participates in β ladder)trans-105.1123.9-176.4-172.50000108.3I28 K29 Y50 I51 K53V21-I28 WeakPolarHBondContact CA-O 3.34Å; V21-K29 HydrophobicContact CG2-CD 4.47Å; V21-K29 HydrophobicContact CG2-CG 4.05Å; V21-Y50 CarbonylContact O-C 3.58Å; V21-Y50 VanDerWaalsContact O-CA 3.29Å; V21-Y50 WeakPolarHBondContact O-CA 3.26Å; V21-I51 PolarHBondContact N-O 3.22Å; V21-I51 PolarHBondContact O-N 3.36Å; V21-K53 HydrophobicContact CG2-CB 4.27Å; V21-K53 HydrophobicContact CG2-CD 3.97Å; V21-K53 HydrophobicContact CG2-CG 4.11Å
22C92.5Very high86.8Confident9 Ų960.7 Ų60.76%0.06134%0.337CS..EExtended strand (participates in β ladder)trans-70.4135.3174.9-173.30000109.8C25 I28 H44 H48C22-C25 HydrophobicContact CB-CB 4Å; C22-C25 PolarHBondContact SG-N 3.37Å; C22-C25 VanDerWaalsContact SG-N 3.37Å; C22-C25 VanDerWaalsContact SG-SG 3.69Å; C22-I28 HydrophobicContact CB-CB 4.13Å; C22-I28 HydrophobicContact CB-CG2 4.3Å; C22-I28 PolarHBondContact N-O 3.41Å; C22-I28 VanDerWaalsContact N-O 3.14Å; C22-H44 VanDerWaalsContact SG-CE1 3.55Å; C22-H44 PolarHBondContact SG-ND1 3.12Å; C22-H44 VanDerWaalsContact SG-ND1 3.44Å; C22-H48 WeakPolarHBondContact SG-CB 3.44Å
23V90.5Very high87Confident83 Ų8362.3 Ų62.350%0.50334%0.339SS..SBendtrans-76.1-34176.7179.90000110.9K49 I51V23-K49 HydrophobicContact CB-CB 4.07Å; V23-K49 WeakPolarHBondContact CB-O 3.37Å; V23-K49 HydrophobicContact CG2-CB 4.14Å; V23-K49 PolarHBondContact N-O 2.85Å; V23-I51 HydrophobicContact CG2-CD1 3.76Å; V23-I51 HydrophobicContact CG2-CG1 3.64Å
24E92.5Very high87.2Confident107 Ų10757 Ų5750%0.532%0.315SS..SBendtrans-89.1-32.1-172.8-64.3172.7-137.600112.8H48 K49E24-H48 HydrophobicContact CB-CB 4.28Å; E24-H48 HydrophobicContact CG-CB 4.37Å; E24-H48 WeakPolarHBondContact OE1-CA 3.48Å; E24-H48 IonicContact OE2-CD2 3.2Å; E24-H48 PolarHBondContact OE2-CD2 3Å; E24-H48 IonicContact OE2-CE1 3.93Å; E24-H48 IonicContact OE2-CG 3.45Å; E24-H48 IonicContact OE2-ND1 3.89Å; E24-H48 IonicContact OE2-NE2 3.62Å; E24-K49 PolarHBondContact OE1-N 3.34Å
25C90Very high87.6Confident17 Ų1754.6 Ų54.612%0.11531%0.305CS..SBendtrans-95.3124179.6-58.70000111.1C22 V27 I28 H44 H48C22-C25 HydrophobicContact CB-CB 4Å; C22-C25 PolarHBondContact SG-N 3.37Å; C22-C25 VanDerWaalsContact SG-N 3.37Å; C22-C25 VanDerWaalsContact SG-SG 3.69Å; C25-V27 PolarHBondContact O-N 3.46Å; C25-I28 HydrophobicContact CB-CB 4.03Å; C25-I28 HydrophobicContact CB-CD1 3.51Å; C25-I28 HydrophobicContact CB-CG1 3.74Å; C25-H44 VanDerWaalsContact SG-CA 3.56Å; C25-H48 VanDerWaalsContact SG-CE1 3.54Å; C25-H48 PolarHBondContact SG-ND1 3.12Å
26S79.4Confident88.1Confident109 Ų10959 Ų5976%0.76234%0.336SS*.THydrogen-bonded Turntrans-61.9131.4169.2490000109.8I28S26-I28 VanDerWaalsContact C-N 3.34Å; S26-I28 PolarHBondContact O-N 3.36Å
27V81Confident88.9Confident129 Ų12959.2 Ų59.278%0.78234%0.336SS*.THydrogen-bonded Turntrans78-5.6171.5-155.20000116.7C9 C25 K29C9-V27 PolarHBondContact SG-O 3.47Å; C25-V27 PolarHBondContact O-N 3.46Å; V27-K29 PolarHBondContact O-N 3.22Å
28I88.5Confident89.6Confident32 Ų3259.7 Ų59.716%0.16434%0.342CS..  trans-80.1114.1-176.7-62-170.5000112V21 C22 C25 S26 I30 H44V21-I28 WeakPolarHBondContact CA-O 3.34Å; C22-I28 HydrophobicContact CB-CB 4.13Å; C22-I28 HydrophobicContact CB-CG2 4.3Å; C22-I28 PolarHBondContact N-O 3.41Å; C22-I28 VanDerWaalsContact N-O 3.14Å; C25-I28 HydrophobicContact CB-CB 4.03Å; C25-I28 HydrophobicContact CB-CD1 3.51Å; C25-I28 HydrophobicContact CB-CG1 3.74Å; S26-I28 VanDerWaalsContact C-N 3.34Å; S26-I28 PolarHBondContact O-N 3.36Å; I28-I30 HydrophobicContact CG2-CG2 4.15Å; I28-H44 HydrophobicContact CD1-CB 3.34Å
29K88.9Confident89.9Confident72 Ų7256 Ų5631%0.31333%0.327SS..EExtended strand (participates in β ladder)trans-123.9123.2169.9-55.2-171.9179.7-178.40108.8C9 I15 I20 V21 V27C9-K29 PolarHBondContact N-O 3.42Å; C9-K29 PolarHBondContact SG-N 3.48Å; C9-K29 VanDerWaalsContact SG-N 3.37Å; C9-K29 PolarHBondContact SG-O 2.97Å; C9-K29 VanDerWaalsContact SG-O 3.34Å; I15-K29 HydrophobicContact CD1-CB 4.3Å; I20-K29 WeakPolarHBondContact O-CA 3.11Å; V21-K29 HydrophobicContact CG2-CD 4.47Å; V21-K29 HydrophobicContact CG2-CG 4.05Å; V27-K29 PolarHBondContact O-N 3.22Å
30I91.2Very high90.1Very high7 Ų760.1 Ų60.14%0.03635%0.346CS..EExtended strand (participates in β ladder)trans-122.4150.3178.655-178.9000110.5I20 I28 C34 F35 V39I20-I30 HydrophobicContact CB-CG1 4Å; I20-I30 HydrophobicContact CG2-CG1 4.31Å; I20-I30 PolarHBondContact N-O 3.16Å; I20-I30 PolarHBondContact O-N 3.17Å; I28-I30 HydrophobicContact CG2-CG2 4.15Å; I30-C34 HydrophobicContact CB-CB 4.4Å; I30-F35 HydrophobicContact CD1-CB 3.87Å; I30-F35 HydrophobicContact CD1-CD2 3.87Å; I30-F35 HydrophobicContact CD1-CG 4.38Å; I30-F35 HydrophobicContact CG1-CB 4.25Å; I30-V39 HydrophobicContact CD1-CG2 4.23Å; I30-V39 HydrophobicContact CG2-CG2 4.38Å
31C90.5Very high89.8Confident17 Ų1761.6 Ų61.612%0.11536%0.363CS..EExtended strand (participates in β ladder)trans-74.3159.6173.769.10000110.5C8 I15 K33 C34 F35C8-C31 HydrophobicContact CB-CB 4.23Å; C8-C31 PolarHBondContact SG-N 3.22Å; I15-C31 HydrophobicContact CG1-CB 4.13Å; I15-C31 HydrophobicContact CG2-CB 4.35Å; C31-K33 PolarHBondContact O-N 3.34Å; C31-C34 PolarHBondContact O-N 3.24Å; C31-C34 VanDerWaalsContact O-N 3.17Å; C31-C34 PolarHBondContact SG-N 3.13Å; C31-C34 VanDerWaalsContact SG-N 3.37Å; C31-C34 PolarHBondContact SG-SG 2.64Å; C31-F35 PolarHBondContact O-N 3.44Å
32V90.2Very high89.6Confident79 Ų7964.8 Ų64.848%0.47940%0.401SS..Hα-helixtrans-55.5-38.3179.2-1780000111.9F18 I20 F35 S36F18-V32 HydrophobicContact CB-CG2 4.22Å; I20-V32 HydrophobicContact CD1-CG2 4.34Å; V32-F35 PolarHBondContact O-N 3.39Å; V32-S36 WeakPolarHBondContact O-CB 3.42Å; V32-S36 PolarHBondContact O-N 3.34Å
33K90.9Very high89.4Confident157 Ų15773.7 Ų73.768%0.68344%0.438SS*.Hα-helixtrans-61.8-51.7177.1-63.2-178.3-177.9176.30111.6C31 F35 S36 C37C31-K33 PolarHBondContact O-N 3.34Å; K33-F35 VanDerWaalsContact C-N 3.33Å; K33-F35 PolarHBondContact O-N 3.4Å; K33-S36 PolarHBondContact O-N 2.81Å; K33-S36 VanDerWaalsContact O-N 3.16Å; K33-S36 PolarHBondContact O-OG 3.37Å; K33-C37 PolarHBondContact O-N 3.49Å; K33-C37 VanDerWaalsContact O-N 3.13Å; K33-C37 PolarHBondContact O-SG 3.47Å; K33-C37 VanDerWaalsContact O-SG 3.36Å
34C93.1Very high89.4Confident13 Ų1370.7 Ų70.79%0.08842%0.419CS..Hα-helixtrans-62.6-39.8178-720000112.3C8 I30 C31 S36 C37 G38 V39C8-C34 VanDerWaalsContact SG-SG 3.66Å; I30-C34 HydrophobicContact CB-CB 4.4Å; C31-C34 PolarHBondContact O-N 3.24Å; C31-C34 VanDerWaalsContact O-N 3.17Å; C31-C34 PolarHBondContact SG-N 3.13Å; C31-C34 VanDerWaalsContact SG-N 3.37Å; C31-C34 PolarHBondContact SG-SG 2.64Å; C34-S36 VanDerWaalsContact C-N 3.33Å; C34-S36 PolarHBondContact O-N 3.38Å; C34-C37 PolarHBondContact O-N 3.21Å; C34-G38 PolarHBondContact O-N 2.88Å; C34-V39 HydrophobicContact CB-CG1 4.17Å; C34-V39 HydrophobicContact CB-CG2 3.89Å; C34-V39 WeakPolarHBondContact O-CG1 3.26Å; C34-V39 WeakPolarHBondContact O-CG2 3.14Å; C34-V39 PolarHBondContact O-N 3.44Å
35F92.6Very high89.4Confident66 Ų6671 Ų7129%0.28942%0.418SS..Hα-helixtrans-61.7-41174.3179-102.5000112.3I20 I30 C31 V32 K33 C37 G38 Y50I20-F35 HydrophobicContact CD1-CB 3.29Å; I20-F35 HydrophobicContact CD1-CD1 3.41Å; I20-F35 VanDerWaalsContact CD1-CD1 3.41Å; I20-F35 HydrophobicContact CD1-CD2 4.02Å; I20-F35 HydrophobicContact CD1-CE1 4.18Å; I20-F35 HydrophobicContact CD1-CG 3.3Å; I20-F35 HydrophobicContact CG1-CB 4.49Å; I20-F35 HydrophobicContact CG1-CG 4.45Å; I20-F35 HydrophobicContact CG2-CD2 3.79Å; I20-F35 HydrophobicContact CG2-CE2 4.04Å; I20-F35 HydrophobicContact CG2-CG 4.23Å; I30-F35 HydrophobicContact CD1-CB 3.87Å; I30-F35 HydrophobicContact CD1-CD2 3.87Å; I30-F35 HydrophobicContact CD1-CG 4.38Å; I30-F35 HydrophobicContact CG1-CB 4.25Å; C31-F35 PolarHBondContact O-N 3.44Å; V32-F35 PolarHBondContact O-N 3.39Å; K33-F35 VanDerWaalsContact C-N 3.33Å; K33-F35 PolarHBondContact O-N 3.4Å; F35-C37 PolarHBondContact O-N 3.32Å; F35-G38 WeakPolarHBondContact O-CA 3.41Å; F35-G38 PolarHBondContact O-N 3.45Å; F35-Y50 AromaticContact CE2-CD1 3.94Å; F35-Y50 HydrophobicContact CE2-CD1 3.94Å; F35-Y50 HydrophobicContact CE2-CE1 4.06Å; F35-Y50 HydrophobicContact CE2-CG 4.21Å; F35-Y50 AromaticContact CZ-CD1 3.9Å; F35-Y50 HydrophobicContact CZ-CD1 3.9Å; F35-Y50 HydrophobicContact CZ-CD2 4.39Å; F35-Y50 AromaticContact CZ-CE1 3.54Å; F35-Y50 HydrophobicContact CZ-CE1 3.54Å; F35-Y50 HydrophobicContact CZ-CE2 4.07Å; F35-Y50 HydrophobicContact CZ-CG 4.32Å; F35-Y50 AromaticContact CZ-CZ 3.62Å
36S92.3Very high89.4Confident94 Ų9476.4 Ų76.466%0.65744%0.44SS*.Hα-helixtrans-64-28.4176.572.80000113.3V32 K33 C34 G38V32-S36 WeakPolarHBondContact O-CB 3.42Å; V32-S36 PolarHBondContact O-N 3.34Å; K33-S36 PolarHBondContact O-N 2.81Å; K33-S36 VanDerWaalsContact O-N 3.16Å; K33-S36 PolarHBondContact O-OG 3.37Å; C34-S36 VanDerWaalsContact C-N 3.33Å; C34-S36 PolarHBondContact O-N 3.38Å; S36-G38 PolarHBondContact O-N 2.9Å
37C93.5Very high90Very high101 Ų10177.4 Ų77.468%0.68244%0.435SS*.THydrogen-bonded Turntrans-76.9-3.2171.8-60.30000113.3K33 C34 F35 V39K33-C37 PolarHBondContact O-N 3.49Å; K33-C37 VanDerWaalsContact O-N 3.13Å; K33-C37 PolarHBondContact O-SG 3.47Å; K33-C37 VanDerWaalsContact O-SG 3.36Å; C34-C37 PolarHBondContact O-N 3.21Å; F35-C37 PolarHBondContact O-N 3.32Å; C37-V39 VanDerWaalsContact C-N 3.33Å; C37-V39 HydrophobicContact CB-CG1 4.14Å; C37-V39 PolarHBondContact O-N 3.17Å
38G91.3Very high90.6Very high30 Ų3072.6 Ų72.631%0.30940%0.404SS..THydrogen-bonded Turntrans63.836.2-179.600000113.2C34 F35 S36 E40C34-G38 PolarHBondContact O-N 2.88Å; F35-G38 WeakPolarHBondContact O-CA 3.41Å; F35-G38 PolarHBondContact O-N 3.45Å; S36-G38 PolarHBondContact O-N 2.9Å; G38-E40 PolarHBondContact O-N 3.22Å
39V90.1Very high90.9Very high16 Ų1677 Ų7710%0.09742%0.422CS..  trans-60135.8-176.1-62.90000111.8Y10 I30 C34 C37Y10-V39 HydrophobicContact CD1-CB 4.07Å; Y10-V39 HydrophobicContact CD1-CG1 3.58Å; Y10-V39 HydrophobicContact CD1-CG2 4.46Å; Y10-V39 HydrophobicContact CD2-CB 3.81Å; Y10-V39 HydrophobicContact CD2-CG1 4.24Å; Y10-V39 HydrophobicContact CD2-CG2 4.1Å; Y10-V39 HydrophobicContact CE1-CB 4.12Å; Y10-V39 HydrophobicContact CE1-CG1 3.51Å; Y10-V39 HydrophobicContact CE2-CB 3.87Å; Y10-V39 HydrophobicContact CE2-CG1 4.19Å; Y10-V39 HydrophobicContact CG-CB 3.9Å; Y10-V39 HydrophobicContact CG-CG1 3.94Å; Y10-V39 HydrophobicContact CG-CG2 3.99Å; I30-V39 HydrophobicContact CD1-CG2 4.23Å; I30-V39 HydrophobicContact CG2-CG2 4.38Å; C34-V39 HydrophobicContact CB-CG1 4.17Å; C34-V39 HydrophobicContact CB-CG2 3.89Å; C34-V39 WeakPolarHBondContact O-CG1 3.26Å; C34-V39 WeakPolarHBondContact O-CG2 3.14Å; C34-V39 PolarHBondContact O-N 3.44Å; C37-V39 VanDerWaalsContact C-N 3.33Å; C37-V39 HydrophobicContact CB-CG1 4.14Å; C37-V39 PolarHBondContact O-N 3.17Å
40E91.5Very high91.1Very high91 Ų9179.2 Ų79.243%0.42543%0.43SS..  trans-122.6153.9174.6-59.2-167.9148.700109.3G38 K46G38-E40 PolarHBondContact O-N 3.22Å; E40-K46 HydrophobicContact CG-CB 3.97Å; E40-K46 HydrophobicContact CG-CD 4.45Å; E40-K46 HydrophobicContact CG-CG 4.45Å; E40-K46 WeakPolarHBondContact OE1-CB 3.47Å; E40-K46 WeakPolarHBondContact OE1-CD 3.42Å; E40-K46 WeakPolarHBondContact OE1-CG 3.41Å; E40-K46 PolarHBondContact OE1-N 3.46Å
41G84.6Confident91Very high40 Ų4083 Ų8341%0.41245%0.449SS..BIsolated β-bridgetrans-172.8129.8-176.900000113.6K43 H44G41-K43 PolarHBondContact O-N 3.3Å; G41-H44 PolarHBondContact N-O 3.43Å; G41-H44 WeakPolarHBondContact O-CB 3.27Å; G41-H44 PolarHBondContact O-N 2.69Å
42G86.3Confident91Very high91 Ų9187.2 Ų87.294%0.93847%0.469SS*.THydrogen-bonded Turntrans58.2-120-178.700000111.7H44G42-H44 VanDerWaalsContact C-N 3.32Å
43K88.1Confident90.7Very high197 Ų19788.7 Ų88.786%0.85747%0.469SS*.THydrogen-bonded Turntrans-82.7-8176.2-63.5-175.8-179.5-178.70113.4G41 H48G41-K43 PolarHBondContact O-N 3.3Å; K43-H48 PolarHBondContact O-CE1 2.92Å
44H90.8Very high90Very high19 Ų1986.7 Ų86.79%0.08846%0.457CS..BIsolated β-bridgetrans-81.9132.5-178.6-169.254.9000112.1C22 C25 I28 G41 G42 H48C22-H44 VanDerWaalsContact SG-CE1 3.55Å; C22-H44 PolarHBondContact SG-ND1 3.12Å; C22-H44 VanDerWaalsContact SG-ND1 3.44Å; C25-H44 VanDerWaalsContact SG-CA 3.56Å; I28-H44 HydrophobicContact CD1-CB 3.34Å; G41-H44 PolarHBondContact N-O 3.43Å; G41-H44 WeakPolarHBondContact O-CB 3.27Å; G41-H44 PolarHBondContact O-N 2.69Å; G42-H44 VanDerWaalsContact C-N 3.32Å; H44-H48 AromaticContact ND1-ND1 3.72Å
45K92.4Very high88.8Confident114 Ų11486.5 Ų86.550%0.49646%0.456SS..  trans-120.1151.4170.1-55.9-176.5176-1770109.6I47 H48K45-I47 HydrophobicContact CB-CD1 4.48Å; K45-I47 HydrophobicContact CB-CG1 3.73Å; K45-I47 HydrophobicContact CD-CD1 4.22Å; K45-I47 HydrophobicContact CD-CG1 4.35Å; K45-I47 PolarHBondContact O-N 2.93Å; K45-I47 VanDerWaalsContact O-N 3.11Å; K45-H48 PolarHBondContact N-CE1 2.94Å; K45-H48 WeakPolarHBondContact O-CB 3.23Å; K45-H48 PolarHBondContact O-N 2.95Å; K45-H48 VanDerWaalsContact O-N 3.12Å
46K90.3Very high87.5Confident131 Ų13191.7 Ų91.757%0.5748%0.481SS*.THydrogen-bonded Turntrans-63.9-18.5179.374.3-162.4172.4-1790113.2E40E40-K46 HydrophobicContact CG-CB 3.97Å; E40-K46 HydrophobicContact CG-CD 4.45Å; E40-K46 HydrophobicContact CG-CG 4.45Å; E40-K46 WeakPolarHBondContact OE1-CB 3.47Å; E40-K46 WeakPolarHBondContact OE1-CD 3.42Å; E40-K46 WeakPolarHBondContact OE1-CG 3.41Å; E40-K46 PolarHBondContact OE1-N 3.46Å
47I91.9Very high85.8Confident129 Ų12989.3 Ų89.366%0.66246%0.461SS*.THydrogen-bonded Turntrans-83.5-7.3179.558.9169.1000113.8K45K45-I47 HydrophobicContact CB-CD1 4.48Å; K45-I47 HydrophobicContact CB-CG1 3.73Å; K45-I47 HydrophobicContact CD-CD1 4.22Å; K45-I47 HydrophobicContact CD-CG1 4.35Å; K45-I47 PolarHBondContact O-N 2.93Å; K45-I47 VanDerWaalsContact O-N 3.11Å
48H94Very high83.8Confident28 Ų2886.4 Ų86.413%0.1344%0.439CS..SBendtrans-67.5148.2-179.6-68-177.6000111.5C22 E24 C25 K43 H44 K45C22-H48 WeakPolarHBondContact SG-CB 3.44Å; E24-H48 HydrophobicContact CB-CB 4.28Å; E24-H48 HydrophobicContact CG-CB 4.37Å; E24-H48 WeakPolarHBondContact OE1-CA 3.48Å; E24-H48 IonicContact OE2-CD2 3.2Å; E24-H48 PolarHBondContact OE2-CD2 3Å; E24-H48 IonicContact OE2-CE1 3.93Å; E24-H48 IonicContact OE2-CG 3.45Å; E24-H48 IonicContact OE2-ND1 3.89Å; E24-H48 IonicContact OE2-NE2 3.62Å; C25-H48 VanDerWaalsContact SG-CE1 3.54Å; C25-H48 PolarHBondContact SG-ND1 3.12Å; K43-H48 PolarHBondContact O-CE1 2.92Å; H44-H48 AromaticContact ND1-ND1 3.72Å; K45-H48 PolarHBondContact N-CE1 2.94Å; K45-H48 WeakPolarHBondContact O-CB 3.23Å; K45-H48 PolarHBondContact O-N 2.95Å; K45-H48 VanDerWaalsContact O-N 3.12Å
49K94Very high82Confident125 Ų12591.1 Ų91.154%0.54346%0.457SS..  trans-60142.4171.8-65.7179.5-178.5177.50110.3V23 E24V23-K49 HydrophobicContact CB-CB 4.07Å; V23-K49 WeakPolarHBondContact CB-O 3.37Å; V23-K49 HydrophobicContact CG2-CB 4.14Å; V23-K49 PolarHBondContact N-O 2.85Å; E24-K49 PolarHBondContact OE1-N 3.34Å
50Y93.2Very high80.2Confident119 Ų11994.2 Ų94.247%0.46748%0.477SS..EExtended strand (participates in β ladder)trans-136.6157-17766.2-91.1000112.2I20 V21 F35 I52I20-Y50 HydrophobicContact CG2-CD2 3.78Å; I20-Y50 HydrophobicContact CG2-CG 3.95Å; V21-Y50 CarbonylContact O-C 3.58Å; V21-Y50 VanDerWaalsContact O-CA 3.29Å; V21-Y50 WeakPolarHBondContact O-CA 3.26Å; F35-Y50 AromaticContact CE2-CD1 3.94Å; F35-Y50 HydrophobicContact CE2-CD1 3.94Å; F35-Y50 HydrophobicContact CE2-CE1 4.06Å; F35-Y50 HydrophobicContact CE2-CG 4.21Å; F35-Y50 AromaticContact CZ-CD1 3.9Å; F35-Y50 HydrophobicContact CZ-CD1 3.9Å; F35-Y50 HydrophobicContact CZ-CD2 4.39Å; F35-Y50 AromaticContact CZ-CE1 3.54Å; F35-Y50 HydrophobicContact CZ-CE1 3.54Å; F35-Y50 HydrophobicContact CZ-CE2 4.07Å; F35-Y50 HydrophobicContact CZ-CG 4.32Å; F35-Y50 AromaticContact CZ-CZ 3.62Å; Y50-I52 HydrophobicContact CD2-CG1 4.26Å; Y50-I52 HydrophobicContact CE2-CD1 4.38Å; Y50-I52 HydrophobicContact CE2-CG1 4.11Å
51I90.2Very high78.3Confident86 Ų8693.7 Ų93.744%0.44149%0.488SS..EExtended strand (participates in β ladder)trans-124.3130.9174.1-62.9166.6000107.8V21 V23 K53V21-I51 PolarHBondContact N-O 3.22Å; V21-I51 PolarHBondContact O-N 3.36Å; V23-I51 HydrophobicContact CG2-CD1 3.76Å; V23-I51 HydrophobicContact CG2-CG1 3.64Å; I51-K53 HydrophobicContact CG2-CG 4Å
52I88.9Confident76.8Confident105 Ų10597.7 Ų97.754%0.53850%0.501SS..EExtended strand (participates in β ladder)trans-83.2123.1172.7-54.7175.8000108F18 I20 Y50F18-I52 HydrophobicContact CB-CG2 4.15Å; F18-I52 HydrophobicContact CD1-CG2 3.96Å; F18-I52 HydrophobicContact CG-CG2 4.37Å; I20-I52 HydrophobicContact CG1-CG1 4.42Å; Y50-I52 HydrophobicContact CD2-CG1 4.26Å; Y50-I52 HydrophobicContact CE2-CD1 4.38Å; Y50-I52 HydrophobicContact CE2-CG1 4.11Å
53K84.7Confident75.4Confident110 Ų110101.1 Ų101.148%0.47850%0.497SS..EExtended strand (participates in β ladder)trans-123.4144.3176.7-66.5-167.4178.5-176.40110.4F18 C19 V21 I51F18-K53 WeakPolarHBondContact CA-O 2.95Å; C19-K53 PolarHBondContact N-O 2.85Å; C19-K53 PolarHBondContact O-N 2.91Å; C19-K53 VanDerWaalsContact O-O 3.11Å; C19-K53 PolarHBondContact SG-O 2.91Å; C19-K53 VanDerWaalsContact SG-O 3.4Å; V21-K53 HydrophobicContact CG2-CB 4.27Å; V21-K53 HydrophobicContact CG2-CD 3.97Å; V21-K53 HydrophobicContact CG2-CG 4.11Å; I51-K53 HydrophobicContact CG2-CG 4Å
54R76.3Confident74.6Confident116 Ų11696 Ų9644%0.43848%0.476SS..EExtended strand (participates in β ladder)trans-68.3146.4168-83.8-176.3164.2165.7-6.9110.8G17 F18 L67G17-R54 CarbonylContact O-C 3.54Å; G17-R54 WeakPolarHBondContact O-CA 3.39Å; F18-R54 HydrophobicContact CD1-CG 3.68Å; F18-R54 HydrophobicContact CE1-CG 3.37Å; F18-R54 HydrophobicContact CZ-CG 4.12Å; R54-L67 VanDerWaalsContact NH1-N 3.11Å
55S68.3Low74.2Confident8 Ų897 Ų976%0.05648%0.479CS..  trans-68.2132.4173.6-157.70000108.7S6 I15 G17 D57 D58S6-S55 PolarHBondContact OG-OG 3.31Å; I15-S55 PolarHBondContact O-OG 3.43Å; G17-S55 PolarHBondContact O-N 3.14Å; S55-D57 PolarHBondContact O-N 3.37Å; S55-D58 VanDerWaalsContact CB-OD2 3.26Å; S55-D58 WeakPolarHBondContact CB-OD2 3.46Å; S55-D58 PolarHBondContact O-N 3.12Å
56E64.5Low73.6Confident176 Ų17694.8 Ų94.882%0.82247%0.472SS*.THydrogen-bonded Turntrans-66.5-18.6179.5-72.7167.8-162.800112.2
57D56Low73.1Confident43 Ų4393.4 Ų93.423%0.2347%0.471CS..THydrogen-bonded Turntrans-96.14.3-176.1-73.7-25.1000114.5L5 S55 N59L5-D57 WeakPolarHBondContact CA-OD2 3.33Å; L5-D57 WeakPolarHBondContact CB-OD2 3.47Å; L5-D57 WeakPolarHBondContact CD2-OD2 3.18Å; L5-D57 WeakPolarHBondContact CG-OD2 3.14Å; S55-D57 PolarHBondContact O-N 3.37Å; D57-N59 VanDerWaalsContact C-N 3.33Å; D57-N59 PolarHBondContact O-N 3.2Å
58D53Low72.7Confident41 Ų4190.4 Ų90.422%0.21946%0.462CS..  trans-73.994.2173.7-64.1-39.9000108G17 S55 P60G17-D58 VanDerWaalsContact C-OD2 3.32Å; G17-D58 WeakPolarHBondContact CA-OD2 3.29Å; G17-D58 VanDerWaalsContact N-CG 3.33Å; G17-D58 PolarHBondContact N-OD1 3.11Å; G17-D58 PolarHBondContact N-OD2 3.37Å; S55-D58 VanDerWaalsContact CB-OD2 3.26Å; S55-D58 WeakPolarHBondContact CB-OD2 3.46Å; S55-D58 PolarHBondContact O-N 3.12Å; D58-P60 WeakPolarHBondContact O-CD 3.22Å; D58-P60 VanDerWaalsContact O-N 3.16Å
59N52.8Low72.5Confident129 Ų12990.5 Ų90.569%0.6946%0.462SS*.  trans-56.3119.8168.5-96.1-15.9000107.6D57 A61D57-N59 VanDerWaalsContact C-N 3.33Å; D57-N59 PolarHBondContact O-N 3.2Å; N59-A61 PolarHBondContact O-N 3.36Å
60P52.2Low72.3Confident80 Ų8085.7 Ų85.752%0.51944%0.442SS..THydrogen-bonded Turntrans-69.1-0.2-179.929.3-35.4000113.1D58 D62 L66D58-P60 WeakPolarHBondContact O-CD 3.22Å; D58-P60 VanDerWaalsContact O-N 3.16Å; P60-D62 PolarHBondContact O-N 2.95Å; P60-L66 HydrophobicContact CB-CD2 4.02Å
61A52.6Low72.1Confident80 Ų8085.1 Ų85.166%0.66145%0.446SS*.THydrogen-bonded Turntrans-61.5-29.2-177.500000113.3N59 N63N59-A61 PolarHBondContact O-N 3.36Å; A61-N63 PolarHBondContact O-N 3.46Å; A61-N63 VanDerWaalsContact O-N 3.12Å
62D52.9Low72.3Confident125 Ų12586.1 Ų86.167%0.66845%0.447SS*.THydrogen-bonded Turntrans-86.477.7-179.9-78.4-14.7000110.8P60 Q64P60-D62 PolarHBondContact O-N 2.95Å; D62-Q64 WeakPolarHBondContact O-CB 3.45Å; D62-Q64 WeakPolarHBondContact O-CG 3.32Å; D62-Q64 PolarHBondContact O-N 2.95Å
63N56.6Low72.5Confident162 Ų16281.1 Ų81.187%0.86642%0.422SS*.THydrogen-bonded Turntrans42.634.1161.3-70.2-15000115.7A61A61-N63 PolarHBondContact O-N 3.46Å; A61-N63 VanDerWaalsContact O-N 3.12Å
64Q70.7Confident73Confident90 Ų9078.7 Ų78.742%0.42141%0.413SS..PPolyproline II helixtrans-103.7117.4-172.1-91.2172.849.100108.7D62 L66D62-Q64 WeakPolarHBondContact O-CB 3.45Å; D62-Q64 WeakPolarHBondContact O-CG 3.32Å; D62-Q64 PolarHBondContact O-N 2.95Å; Q64-L66 PolarHBondContact O-N 2.83Å
65W82.1Confident73.9Confident40 Ų4077.3 Ų77.315%0.15242%0.415CS..PPolyproline II helixtrans-58.3118.3169.6-80.872.7000110E69 L73 L92 H95 C100 H103W65-E69 HydrophobicContact CE3-CB 4.13Å; W65-E69 HydrophobicContact CZ3-CB 4.49Å; W65-L73 HydrophobicContact CE3-CD2 4.49Å; W65-L73 HydrophobicContact CH2-CD1 4.33Å; W65-L73 HydrophobicContact CH2-CD2 3.96Å; W65-L73 HydrophobicContact CZ3-CB 4.04Å; W65-L73 HydrophobicContact CZ3-CD1 4.45Å; W65-L73 HydrophobicContact CZ3-CD2 3.73Å; W65-L73 HydrophobicContact CZ3-CG 4.29Å; W65-L92 HydrophobicContact CH2-CD2 3.93Å; W65-L92 HydrophobicContact CZ3-CD2 3.65Å; W65-H95 AromaticContact CD2-NE2 3.89Å; W65-H95 AromaticContact CE2-CD2 3.98Å; W65-H95 AromaticContact CE2-CE1 3.8Å; W65-H95 AromaticContact CE2-CG 4Å; W65-H95 AromaticContact CE2-ND1 3.89Å; W65-H95 AromaticContact CE2-NE2 3.86Å; W65-H95 HydrophobicContact CH2-CB 4.05Å; W65-H95 AromaticContact CH2-CD2 3.72Å; W65-H95 AromaticContact CH2-CG 3.82Å; W65-H95 HydrophobicContact CZ2-CB 3.97Å; W65-H95 AromaticContact CZ2-CD2 3.77Å; W65-H95 AromaticContact CZ2-CG 3.57Å; W65-H95 AromaticContact CZ2-ND1 3.83Å; W65-H95 AromaticContact CZ3-CD2 3.91Å; W65-H95 AromaticContact NE1-CE1 3.79Å; W65-H95 AromaticContact NE1-ND1 3.99Å; W65-C100 HydrophobicContact CH2-CB 4.46Å; W65-H103 AromaticContact CD1-CE1 3.58Å; W65-H103 AromaticContact CD1-ND1 3.39Å; W65-H103 HydrophobicContact CD2-CB 4.49Å; W65-H103 AromaticContact CD2-CD2 3.59Å; W65-H103 AromaticContact CD2-CE1 3.57Å; W65-H103 AromaticContact CD2-CG 3.69Å; W65-H103 AromaticContact CD2-ND1 3.73Å; W65-H103 AromaticContact CD2-NE2 3.51Å; W65-H103 AromaticContact CE2-CD2 3.65Å; W65-H103 AromaticContact CE2-CE1 3.95Å; W65-H103 AromaticContact CE2-CG 3.34Å; W65-H103 AromaticContact CE2-ND1 3.6Å; W65-H103 AromaticContact CE3-CD2 3.73Å; W65-H103 AromaticContact CE3-NE2 3.69Å; W65-H103 AromaticContact CG-CE1 3.33Å; W65-H103 AromaticContact CG-ND1 3.61Å; W65-H103 AromaticContact CG-NE2 3.74Å; W65-H103 HydrophobicContact CH2-CB 4.31Å; W65-H103 AromaticContact CH2-CD2 3.99Å; W65-H103 HydrophobicContact CZ2-CB 3.57Å; W65-H103 AromaticContact CZ2-CD2 3.85Å; W65-H103 AromaticContact CZ2-CG 3.65Å; W65-H103 AromaticContact CZ3-CD2 3.94Å; W65-H103 AromaticContact NE1-CE1 3.93Å; W65-H103 AromaticContact NE1-CG 3.56Å; W65-H103 AromaticContact NE1-ND1 3.38Å; W65-H103 PolarHBondContact NE1-ND1 2.96Å
66L80.6Confident75.2Confident67 Ų6777 Ų7735%0.35141%0.412SS..PPolyproline II helixtrans-70.9154.4175.5-64172.8000109.6P60 Q64 S68 E69 E70P60-L66 HydrophobicContact CB-CD2 4.02Å; Q64-L66 PolarHBondContact O-N 2.83Å; L66-S68 PolarHBondContact O-N 3.24Å; L66-E69 HydrophobicContact CB-CB 4.22Å; L66-E69 HydrophobicContact CB-CG 3.95Å; L66-E69 HydrophobicContact CD1-CG 4.46Å; L66-E69 PolarHBondContact N-OE2 2.83Å; L66-E69 VanDerWaalsContact N-OE2 3.1Å; L66-E69 WeakPolarHBondContact O-CB 3.31Å; L66-E69 PolarHBondContact O-N 2.8Å; L66-E69 VanDerWaalsContact O-N 3.08Å; L66-E70 PolarHBondContact O-N 3.4Å
67L79.8Confident76.7Confident102 Ų10269.4 Ų69.453%0.53438%0.377SS..Hα-helixtrans-66-32.7177.5178.963.2000110.3R54 E69 E70 L71R54-L67 VanDerWaalsContact NH1-N 3.11Å; L67-E69 VanDerWaalsContact C-N 3.35Å; L67-E70 PolarHBondContact O-N 3.38Å; L67-L71 HydrophobicContact CD1-CG 4.48Å; L67-L71 HydrophobicContact CG-CD1 4.35Å; L67-L71 WeakPolarHBondContact O-CB 3.19Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.39Å
68S83.9Confident78.5Confident67 Ų6774.2 Ų74.247%0.46940%0.403SS..Hα-helixtrans-65.4-35.9172.447.80000112.7L66 K72L66-S68 PolarHBondContact O-N 3.24Å; S68-K72 WeakPolarHBondContact O-CB 3.25Å; S68-K72 VanDerWaalsContact O-CG 3.23Å; S68-K72 WeakPolarHBondContact O-CG 3.33Å; S68-K72 PolarHBondContact O-N 2.85Å; S68-K72 VanDerWaalsContact O-N 3.1Å
69E88.7Confident80.5Confident30 Ų3076.4 Ų76.414%0.1442%0.418CS..Hα-helixtrans-71.8-41.3174.7-68.9179.2146.400111.3W65 L66 L67 L71 K72 L73 S94 H95W65-E69 HydrophobicContact CE3-CB 4.13Å; W65-E69 HydrophobicContact CZ3-CB 4.49Å; L66-E69 HydrophobicContact CB-CB 4.22Å; L66-E69 HydrophobicContact CB-CG 3.95Å; L66-E69 HydrophobicContact CD1-CG 4.46Å; L66-E69 PolarHBondContact N-OE2 2.83Å; L66-E69 VanDerWaalsContact N-OE2 3.1Å; L66-E69 WeakPolarHBondContact O-CB 3.31Å; L66-E69 PolarHBondContact O-N 2.8Å; L66-E69 VanDerWaalsContact O-N 3.08Å; L67-E69 VanDerWaalsContact C-N 3.35Å; E69-L71 PolarHBondContact O-N 3.34Å; E69-K72 CarbonylContact O-C 3.6Å; E69-K72 PolarHBondContact O-N 2.85Å; E69-L73 WeakPolarHBondContact O-CB 3.34Å; E69-L73 PolarHBondContact O-N 2.81Å; E69-S94 WeakPolarHBondContact OE1-CB 3.37Å; E69-S94 PolarHBondContact OE1-OG 3.45Å; E69-H95 IonicContact OE1-CD2 3.51Å; E69-H95 IonicContact OE1-NE2 3.63Å; E69-H95 PolarHBondContact OE1-NE2 3.11Å; E69-H95 IonicContact OE2-CD2 3.36Å; E69-H95 IonicContact OE2-NE2 3.94Å; E69-H95 PolarHBondContact OE2-NE2 2.92Å
70E89.5Confident82.5Confident24 Ų2474.4 Ų74.411%0.11240%0.401CS..Hα-helixtrans-58.3-48.7174-168.665.2-125.900111.3L66 L67 K72 L73 L74 H103 Y108L66-E70 PolarHBondContact O-N 3.4Å; L67-E70 PolarHBondContact O-N 3.38Å; E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 PolarHBondContact O-N 3.12Å; E70-L73 WeakPolarHBondContact O-CB 3.04Å; E70-L73 PolarHBondContact O-N 3.29Å; E70-L73 VanDerWaalsContact O-N 3.14Å; E70-L74 WeakPolarHBondContact O-CG 3.26Å; E70-L74 PolarHBondContact O-N 2.98Å; E70-H103 IonicContact OE1-NE2 3.86Å; E70-H103 IonicContact OE2-CD2 2.86Å; E70-H103 IonicContact OE2-CE1 2.68Å; E70-H103 IonicContact OE2-NE2 2.99Å; E70-H103 PolarHBondContact OE2-NE2 2.94Å; E70-Y108 WeakPolarHBondContact OE1-CE2 3.18Å; E70-Y108 PolarHBondContact OE1-OH 2.73Å; E70-Y108 VanDerWaalsContact OE1-OH 3.11Å
71L90.6Very high84.5Confident107 Ų10772 Ų7256%0.5639%0.39SS*.Hα-helixtrans-62.6-38.1177.6-71.1173.5000111.8L67 E69 L74 D75L67-L71 HydrophobicContact CD1-CG 4.48Å; L67-L71 HydrophobicContact CG-CD1 4.35Å; L67-L71 WeakPolarHBondContact O-CB 3.19Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.39Å; E69-L71 PolarHBondContact O-N 3.34Å; L71-L74 PolarHBondContact O-N 3.48Å; L71-D75 WeakPolarHBondContact O-CB 3.14Å; L71-D75 PolarHBondContact O-N 3.45Å
72K93.1Very high86.5Confident107 Ų10774.2 Ų74.247%0.46538%0.383SS..Hα-helixtrans-66.8-37.7173.7-75.9174.9-179.6-175.10112.4S68 E69 E70 D75 A76 L92S68-K72 WeakPolarHBondContact O-CB 3.25Å; S68-K72 VanDerWaalsContact O-CG 3.23Å; S68-K72 WeakPolarHBondContact O-CG 3.33Å; S68-K72 PolarHBondContact O-N 2.85Å; S68-K72 VanDerWaalsContact O-N 3.1Å; E69-K72 CarbonylContact O-C 3.6Å; E69-K72 PolarHBondContact O-N 2.85Å; E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 PolarHBondContact O-N 3.12Å; K72-D75 PolarHBondContact O-N 3.4Å; K72-A76 WeakPolarHBondContact O-CB 3.5Å; K72-A76 PolarHBondContact O-N 3.02Å; K72-L92 HydrophobicContact CB-CD1 4.41Å; K72-L92 HydrophobicContact CB-CG 4.21Å
73L94Very high88.3Confident0 Ų070.2 Ų70.20%037%0.371CS..Hα-helixtrans-59.4-48.3174.7-178.465.6000110.8W65 E69 E70 A76 L77 I88 L92 C100W65-L73 HydrophobicContact CE3-CD2 4.49Å; W65-L73 HydrophobicContact CH2-CD1 4.33Å; W65-L73 HydrophobicContact CH2-CD2 3.96Å; W65-L73 HydrophobicContact CZ3-CB 4.04Å; W65-L73 HydrophobicContact CZ3-CD1 4.45Å; W65-L73 HydrophobicContact CZ3-CD2 3.73Å; W65-L73 HydrophobicContact CZ3-CG 4.29Å; E69-L73 WeakPolarHBondContact O-CB 3.34Å; E69-L73 PolarHBondContact O-N 2.81Å; E70-L73 WeakPolarHBondContact O-CB 3.04Å; E70-L73 PolarHBondContact O-N 3.29Å; E70-L73 VanDerWaalsContact O-N 3.14Å; L73-A76 PolarHBondContact O-N 3.43Å; L73-L77 HydrophobicContact CD1-CD1 4.36Å; L73-L77 HydrophobicContact CG-CD1 4.04Å; L73-L77 WeakPolarHBondContact O-CB 3.12Å; L73-L77 WeakPolarHBondContact O-CG 3.24Å; L73-L77 PolarHBondContact O-N 3.38Å; L73-I88 HydrophobicContact CD1-CG2 3.63Å; L73-L92 HydrophobicContact CB-CD1 4.47Å; L73-L92 HydrophobicContact CB-CD2 4.04Å; L73-L92 HydrophobicContact CD1-CD1 4.42Å; L73-L92 HydrophobicContact CD1-CD2 4.28Å; L73-C100 HydrophobicContact CD1-CB 3.91Å
74L94.2Very high90.1Very high59 Ų5966.3 Ų66.331%0.30935%0.35SS..Hα-helixtrans-67.6-40.2-179.6-62.7177.8000112.1E70 L71 L77 D78 Y104 Y108E70-L74 WeakPolarHBondContact O-CG 3.26Å; E70-L74 PolarHBondContact O-N 2.98Å; L71-L74 PolarHBondContact O-N 3.48Å; L74-L77 HydrophobicContact CD2-CD1 4.43Å; L74-L77 PolarHBondContact O-N 3.47Å; L74-D78 PolarHBondContact O-N 2.9Å; L74-Y104 HydrophobicContact CD2-CD2 4.49Å; L74-Y104 HydrophobicContact CD2-CE2 4.2Å; L74-Y108 HydrophobicContact CD2-CE1 4.19Å; L74-Y108 HydrophobicContact CD2-CE2 4.26Å
75D95.4Very high91.3Very high87 Ų8763.2 Ų63.247%0.46534%0.335SS..Hα-helixtrans-63.8-41.5174.8-174.759.8000112.2L71 K72 D78 T79 Q91L71-D75 WeakPolarHBondContact O-CB 3.14Å; L71-D75 PolarHBondContact O-N 3.45Å; K72-D75 PolarHBondContact O-N 3.4Å; D75-D78 PolarHBondContact O-N 3.38Å; D75-T79 PolarHBondContact O-N 3.1Å; D75-T79 PolarHBondContact O-OG1 2.99Å; D75-Q91 PolarHBondContact OD2-NE2 3.49Å
76A95.8Very high92Very high0 Ų067.1 Ų67.10%036%0.358CS..Hα-helixtrans-66.1-40.4174.600000111.8K72 L73 D78 T79 Y80 I88 Q91 L92K72-A76 WeakPolarHBondContact O-CB 3.5Å; K72-A76 PolarHBondContact O-N 3.02Å; L73-A76 PolarHBondContact O-N 3.43Å; A76-D78 VanDerWaalsContact C-N 3.35Å; A76-T79 PolarHBondContact O-N 3.17Å; A76-Y80 HydrophobicContact CB-CD2 4.27Å; A76-Y80 VanDerWaalsContact O-CD2 3.22Å; A76-Y80 WeakPolarHBondContact O-CD2 3.47Å; A76-Y80 PolarHBondContact O-N 2.73Å; A76-I88 HydrophobicContact CB-CB 4.33Å; A76-I88 HydrophobicContact CB-CG1 4.27Å; A76-I88 HydrophobicContact CB-CG2 3.94Å; A76-Q91 HydrophobicContact CB-CB 4.3Å; A76-Q91 HydrophobicContact CB-CG 4.46Å; A76-Q91 VanDerWaalsContact CB-OE1 3.24Å; A76-L92 HydrophobicContact CB-CD1 4.12Å
77L95.4Very high92.7Very high18 Ų1868.6 Ų68.69%0.09436%0.364CS..Hα-helixtrans-63.6-37.9175.3-85.1164.5000112.7L73 L74 T79 G81 W85 I88 Y104L73-L77 HydrophobicContact CD1-CD1 4.36Å; L73-L77 HydrophobicContact CG-CD1 4.04Å; L73-L77 WeakPolarHBondContact O-CB 3.12Å; L73-L77 WeakPolarHBondContact O-CG 3.24Å; L73-L77 PolarHBondContact O-N 3.38Å; L74-L77 HydrophobicContact CD2-CD1 4.43Å; L74-L77 PolarHBondContact O-N 3.47Å; L77-T79 VanDerWaalsContact C-N 3.33Å; L77-G81 WeakPolarHBondContact O-CA 3.4Å; L77-G81 PolarHBondContact O-N 3.21Å; L77-W85 HydrophobicContact CD2-CH2 3.97Å; L77-W85 HydrophobicContact CD2-CZ3 3.78Å; L77-W85 HydrophobicContact CG-CZ3 4.48Å; L77-I88 HydrophobicContact CD2-CD1 3.5Å; L77-I88 HydrophobicContact CG-CD1 3.97Å; L77-Y104 HydrophobicContact CD1-CD2 3.26Å; L77-Y104 HydrophobicContact CD1-CE2 3.4Å; L77-Y104 HydrophobicContact CD1-CG 3.9Å
78D94.9Very high93.4Very high144 Ų14463.8 Ų63.877%0.7734%0.338SS*.Hα-helixtrans-67.4-36.5174.8-166.442.9000111.5L74 D75 A76L74-D78 PolarHBondContact O-N 2.9Å; D75-D78 PolarHBondContact O-N 3.38Å; A76-D78 VanDerWaalsContact C-N 3.35Å
79T95.6Very high93.9Very high86 Ų8661.4 Ų61.453%0.52832%0.322SS..Hα-helixtrans-75.1-46.5-179-58.70000113.2D75 A76 L77D75-T79 PolarHBondContact O-N 3.1Å; D75-T79 PolarHBondContact O-OG1 2.99Å; A76-T79 PolarHBondContact O-N 3.17Å; L77-T79 VanDerWaalsContact C-N 3.33Å
80Y95Very high94.1Very high88 Ų8863.1 Ų63.135%0.34534%0.341SS..Hα-helixtrans-100.2-22.4-172.5-60.3-64.5000113.4A76 N84 E87 I88 Q91A76-Y80 HydrophobicContact CB-CD2 4.27Å; A76-Y80 VanDerWaalsContact O-CD2 3.22Å; A76-Y80 WeakPolarHBondContact O-CD2 3.47Å; A76-Y80 PolarHBondContact O-N 2.73Å; Y80-N84 PolarHBondContact O-ND2 3.08Å; Y80-E87 HydrophobicContact CD1-CB 3.89Å; Y80-E87 WeakPolarHBondContact CD1-OE2 3.11Å; Y80-E87 HydrophobicContact CD2-CB 4.12Å; Y80-E87 HydrophobicContact CE1-CB 4.14Å; Y80-E87 HydrophobicContact CE2-CB 4.32Å; Y80-E87 HydrophobicContact CG-CB 3.9Å; Y80-I88 HydrophobicContact CD2-CG1 4.13Å; Y80-Q91 HydrophobicContact CE2-CB 4.33Å
81G93.9Very high94.2Very high28 Ų2865 Ų6529%0.28935%0.35SS..  trans81.7154.8-17400000113.4L77 G83 N84L77-G81 WeakPolarHBondContact O-CA 3.4Å; L77-G81 PolarHBondContact O-N 3.21Å; G81-G83 PolarHBondContact O-N 3.26Å; G81-N84 PolarHBondContact O-N 3.04Å
82Y93.3Very high94.1Very high127 Ų12760.3 Ų60.350%0.49833%0.325SS..THydrogen-bonded Turntrans-58.8135.4176.3-177.5-83.7000111.5W85 Y104 N105 M109Y82-W85 HydrophobicContact CD1-CZ2 4.39Å; Y82-W85 AromaticContact CD2-CH2 3.64Å; Y82-W85 HydrophobicContact CD2-CH2 3.64Å; Y82-W85 AromaticContact CD2-CZ2 3.55Å; Y82-W85 HydrophobicContact CD2-CZ2 3.55Å; Y82-W85 HydrophobicContact CE1-CZ2 4.17Å; Y82-W85 AromaticContact CE2-CH2 3.62Å; Y82-W85 HydrophobicContact CE2-CH2 3.62Å; Y82-W85 AromaticContact CE2-CZ2 3.31Å; Y82-W85 HydrophobicContact CE2-CZ2 3.31Å; Y82-W85 HydrophobicContact CG-CH2 4.45Å; Y82-W85 HydrophobicContact CG-CZ2 4.11Å; Y82-W85 AromaticContact CZ-CZ2 3.63Å; Y82-Y104 AromaticContact CD2-CD1 3.94Å; Y82-Y104 HydrophobicContact CD2-CD1 3.94Å; Y82-Y104 AromaticContact CD2-CE1 3.61Å; Y82-Y104 HydrophobicContact CD2-CE1 3.61Å; Y82-Y104 AromaticContact CE2-CD1 3.71Å; Y82-Y104 HydrophobicContact CE2-CD1 3.71Å; Y82-Y104 AromaticContact CE2-CE1 3.69Å; Y82-Y104 HydrophobicContact CE2-CE1 3.69Å; Y82-N105 PolarHBondContact OH-OD1 2.79Å; Y82-N105 VanDerWaalsContact OH-OD1 3.09Å; Y82-M109 HydrophobicContact CE2-CG 4.41Å
83G91.7Very high93.7Very high41 Ų4163.4 Ų63.442%0.42334%0.342SS..THydrogen-bonded Turntrans103.3-24.7-179.500000114.1G81 W85G81-G83 PolarHBondContact O-N 3.26Å; G83-W85 PolarHBondContact O-N 2.81Å
84N94.9Very high93.1Very high81 Ų8166.4 Ų66.443%0.43336%0.363SS..  trans-85.750.7177.7-67.7-28000111.9Y80 G81 D86 E87 I88Y80-N84 PolarHBondContact O-ND2 3.08Å; G81-N84 PolarHBondContact O-N 3.04Å; N84-D86 PolarHBondContact O-N 2.87Å; N84-E87 PolarHBondContact O-N 3.08Å; N84-E87 VanDerWaalsContact O-N 3.11Å; N84-I88 WeakPolarHBondContact O-CG1 3.28Å; N84-I88 PolarHBondContact O-N 3.46Å; N84-I88 VanDerWaalsContact O-N 3.09Å
85W95.9Very high92.8Very high24 Ų2465.5 Ų65.59%0.09136%0.357CS..Hα-helixtrans-61.8-28.1-171.7-57.1114.6000114.2L77 Y82 G83 I88 S89 S97 C100 R101 Y104L77-W85 HydrophobicContact CD2-CH2 3.97Å; L77-W85 HydrophobicContact CD2-CZ3 3.78Å; L77-W85 HydrophobicContact CG-CZ3 4.48Å; Y82-W85 HydrophobicContact CD1-CZ2 4.39Å; Y82-W85 AromaticContact CD2-CH2 3.64Å; Y82-W85 HydrophobicContact CD2-CH2 3.64Å; Y82-W85 AromaticContact CD2-CZ2 3.55Å; Y82-W85 HydrophobicContact CD2-CZ2 3.55Å; Y82-W85 HydrophobicContact CE1-CZ2 4.17Å; Y82-W85 AromaticContact CE2-CH2 3.62Å; Y82-W85 HydrophobicContact CE2-CH2 3.62Å; Y82-W85 AromaticContact CE2-CZ2 3.31Å; Y82-W85 HydrophobicContact CE2-CZ2 3.31Å; Y82-W85 HydrophobicContact CG-CH2 4.45Å; Y82-W85 HydrophobicContact CG-CZ2 4.11Å; Y82-W85 AromaticContact CZ-CZ2 3.63Å; G83-W85 PolarHBondContact O-N 2.81Å; W85-I88 HydrophobicContact CD2-CD1 4.44Å; W85-I88 HydrophobicContact CE3-CD1 3.75Å; W85-I88 HydrophobicContact CZ3-CD1 4.07Å; W85-I88 PolarHBondContact O-N 3.32Å; W85-S89 WeakPolarHBondContact O-CB 3.32Å; W85-S89 PolarHBondContact O-N 2.68Å; W85-S89 PolarHBondContact O-OG 3.28Å; W85-S97 WeakPolarHBondContact CB-OG 3.18Å; W85-S97 PolarHBondContact O-OG 3.14Å; W85-C100 HydrophobicContact CE3-CB 4.34Å; W85-R101 HydrophobicContact CD2-CB 3.64Å; W85-R101 HydrophobicContact CD2-CG 4.12Å; W85-R101 HydrophobicContact CE3-CB 4.04Å; W85-R101 HydrophobicContact CG-CB 3.97Å; W85-R101 HydrophobicContact CG-CG 4.47Å; W85-R101 HydrophobicContact CH2-CB 4.4Å; W85-R101 HydrophobicContact CH2-CG 4.47Å; W85-R101 HydrophobicContact CZ2-CB 4.02Å; W85-R101 HydrophobicContact CZ2-CG 3.75Å; W85-R101 HydrophobicContact CZ3-CB 4.41Å; W85-Y104 AromaticContact CH2-CD1 3.9Å; W85-Y104 HydrophobicContact CH2-CD1 3.9Å; W85-Y104 HydrophobicContact CH2-CG 4.13Å
86D95.5Very high92.7Very high122 Ų12264 Ų6465%0.65235%0.353SS*.Hα-helixtrans-68.4-38.8176.8-62.1-23.6000111.7N84 S89 A90 S97N84-D86 PolarHBondContact O-N 2.87Å; D86-S89 PolarHBondContact O-OG 3.49Å; D86-A90 WeakPolarHBondContact O-CB 3.14Å; D86-A90 PolarHBondContact O-N 2.8Å; D86-S97 PolarHBondContact N-OG 2.92Å; D86-S97 VanDerWaalsContact OD1-CB 3.29Å; D86-S97 WeakPolarHBondContact OD1-CB 3.43Å; D86-S97 PolarHBondContact OD1-OG 3.31Å
87E95.1Very high92.6Very high99 Ų9965.4 Ų65.446%0.46336%0.363SS..Hα-helixtrans-73.5-38.7175.4-62.4-175.6162.700111Y80 N84 A90 Q91Y80-E87 HydrophobicContact CD1-CB 3.89Å; Y80-E87 WeakPolarHBondContact CD1-OE2 3.11Å; Y80-E87 HydrophobicContact CD2-CB 4.12Å; Y80-E87 HydrophobicContact CE1-CB 4.14Å; Y80-E87 HydrophobicContact CE2-CB 4.32Å; Y80-E87 HydrophobicContact CG-CB 3.9Å; N84-E87 PolarHBondContact O-N 3.08Å; N84-E87 VanDerWaalsContact O-N 3.11Å; E87-A90 PolarHBondContact O-N 3.4Å; E87-Q91 PolarHBondContact O-N 3.33Å
88I95.5Very high92.5Very high0 Ų069.9 Ų69.90%039%0.385CS..Hα-helixtrans-63.2-51.4177.8-67.2163.4000110.9L73 A76 L77 Y80 N84 W85 A90 Q91 L92 C100L73-I88 HydrophobicContact CD1-CG2 3.63Å; A76-I88 HydrophobicContact CB-CB 4.33Å; A76-I88 HydrophobicContact CB-CG1 4.27Å; A76-I88 HydrophobicContact CB-CG2 3.94Å; L77-I88 HydrophobicContact CD2-CD1 3.5Å; L77-I88 HydrophobicContact CG-CD1 3.97Å; Y80-I88 HydrophobicContact CD2-CG1 4.13Å; N84-I88 WeakPolarHBondContact O-CG1 3.28Å; N84-I88 PolarHBondContact O-N 3.46Å; N84-I88 VanDerWaalsContact O-N 3.09Å; W85-I88 HydrophobicContact CD2-CD1 4.44Å; W85-I88 HydrophobicContact CE3-CD1 3.75Å; W85-I88 HydrophobicContact CZ3-CD1 4.07Å; W85-I88 PolarHBondContact O-N 3.32Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 3.42Å; I88-Q91 PolarHBondContact O-N 3.37Å; I88-Q91 VanDerWaalsContact O-N 3.12Å; I88-L92 HydrophobicContact CG2-CD1 4.13Å; I88-L92 WeakPolarHBondContact O-CD1 3.34Å; I88-L92 PolarHBondContact O-N 2.83Å; I88-C100 HydrophobicContact CG2-CB 4.5Å
89S93.9Very high92.4Very high18 Ų1866.8 Ų66.813%0.12637%0.368CS..Hα-helixtrans-63-34.8177.956.30000112.5W85 D86 Q91 L92 Q93 H95W85-S89 WeakPolarHBondContact O-CB 3.32Å; W85-S89 PolarHBondContact O-N 2.68Å; W85-S89 PolarHBondContact O-OG 3.28Å; D86-S89 PolarHBondContact O-OG 3.49Å; S89-Q91 VanDerWaalsContact C-N 3.29Å; S89-Q91 PolarHBondContact O-N 2.95Å; S89-L92 PolarHBondContact O-N 3.14Å; S89-Q93 PolarHBondContact O-N 3.3Å; S89-H95 WeakPolarHBondContact CB-O 3.34Å
90A92.9Very high92.3Very high66 Ų6662.7 Ų62.755%0.54534%0.343SS..Hα-helixtrans-63.1-32.1174.200000113.2D86 E87 I88 Q93D86-A90 WeakPolarHBondContact O-CB 3.14Å; D86-A90 PolarHBondContact O-N 2.8Å; E87-A90 PolarHBondContact O-N 3.4Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 3.42Å; A90-Q93 VanDerWaalsContact O-CG 3.29Å; A90-Q93 WeakPolarHBondContact O-CG 3.49Å
91Q90.8Very high92.3Very high62 Ų6262.5 Ų62.529%0.2934%0.342SS..Hα-helixtrans-74.2-35174.3-173.4174.1-4.800112.4D75 A76 Y80 E87 I88 S89D75-Q91 PolarHBondContact OD2-NE2 3.49Å; A76-Q91 HydrophobicContact CB-CB 4.3Å; A76-Q91 HydrophobicContact CB-CG 4.46Å; A76-Q91 VanDerWaalsContact CB-OE1 3.24Å; Y80-Q91 HydrophobicContact CE2-CB 4.33Å; E87-Q91 PolarHBondContact O-N 3.33Å; I88-Q91 PolarHBondContact O-N 3.37Å; I88-Q91 VanDerWaalsContact O-N 3.12Å; S89-Q91 VanDerWaalsContact C-N 3.29Å; S89-Q91 PolarHBondContact O-N 2.95Å
92L88.5Confident92.2Very high9 Ų964.7 Ų64.75%0.04735%0.347CS..Hα-helixtrans-75.9-41.1178.7-86.779.5000112.6W65 K72 L73 A76 I88 S89 S94W65-L92 HydrophobicContact CH2-CD2 3.93Å; W65-L92 HydrophobicContact CZ3-CD2 3.65Å; K72-L92 HydrophobicContact CB-CD1 4.41Å; K72-L92 HydrophobicContact CB-CG 4.21Å; L73-L92 HydrophobicContact CB-CD1 4.47Å; L73-L92 HydrophobicContact CB-CD2 4.04Å; L73-L92 HydrophobicContact CD1-CD1 4.42Å; L73-L92 HydrophobicContact CD1-CD2 4.28Å; A76-L92 HydrophobicContact CB-CD1 4.12Å; I88-L92 HydrophobicContact CG2-CD1 4.13Å; I88-L92 WeakPolarHBondContact O-CD1 3.34Å; I88-L92 PolarHBondContact O-N 2.83Å; S89-L92 PolarHBondContact O-N 3.14Å; L92-S94 PolarHBondContact O-N 2.98Å
93Q84.6Confident92.1Very high172 Ų17259.5 Ų59.580%0.80433%0.327SS*.  trans65.7-22.8-177.1-54.1169.523.400115.6S89 A90S89-Q93 PolarHBondContact O-N 3.3Å; A90-Q93 VanDerWaalsContact O-CG 3.29Å; A90-Q93 WeakPolarHBondContact O-CG 3.49Å
94S83Confident92.2Very high64 Ų6459.5 Ų59.545%0.44832%0.315SS..SBendtrans-86-29-177.753.20000114.7E69 L92E69-S94 WeakPolarHBondContact OE1-CB 3.37Å; E69-S94 PolarHBondContact OE1-OG 3.45Å; L92-S94 PolarHBondContact O-N 2.98Å
95H87.4Confident92Very high39 Ų3957.5 Ų57.518%0.18130%0.304CS..SBendtrans-119.2148.4-175-66.5-75.3000111.3W65 E69 S89 D99W65-H95 AromaticContact CD2-NE2 3.89Å; W65-H95 AromaticContact CE2-CD2 3.98Å; W65-H95 AromaticContact CE2-CE1 3.8Å; W65-H95 AromaticContact CE2-CG 4Å; W65-H95 AromaticContact CE2-ND1 3.89Å; W65-H95 AromaticContact CE2-NE2 3.86Å; W65-H95 HydrophobicContact CH2-CB 4.05Å; W65-H95 AromaticContact CH2-CD2 3.72Å; W65-H95 AromaticContact CH2-CG 3.82Å; W65-H95 HydrophobicContact CZ2-CB 3.97Å; W65-H95 AromaticContact CZ2-CD2 3.77Å; W65-H95 AromaticContact CZ2-CG 3.57Å; W65-H95 AromaticContact CZ2-ND1 3.83Å; W65-H95 AromaticContact CZ3-CD2 3.91Å; W65-H95 AromaticContact NE1-CE1 3.79Å; W65-H95 AromaticContact NE1-ND1 3.99Å; E69-H95 IonicContact OE1-CD2 3.51Å; E69-H95 IonicContact OE1-NE2 3.63Å; E69-H95 PolarHBondContact OE1-NE2 3.11Å; E69-H95 IonicContact OE2-CD2 3.36Å; E69-H95 IonicContact OE2-NE2 3.94Å; E69-H95 PolarHBondContact OE2-NE2 2.92Å; S89-H95 WeakPolarHBondContact CB-O 3.34Å; H95-D99 HydrophobicContact CB-CB 4.23Å
96S92.4Very high91.7Very high56 Ų5662.8 Ų62.839%0.39233%0.328SS..  trans-73.5161.7176.278.50000111.8M98 D99 C100S96-M98 PolarHBondContact O-N 3.5Å; S96-D99 VanDerWaalsContact CB-OD2 3.28Å; S96-D99 WeakPolarHBondContact CB-OD2 3.38Å; S96-D99 PolarHBondContact N-OD2 2.87Å; S96-D99 PolarHBondContact O-N 2.86Å; S96-D99 VanDerWaalsContact O-N 3.14Å; S96-D99 PolarHBondContact OG-N 3.39Å; S96-D99 PolarHBondContact OG-OD2 3.41Å; S96-C100 PolarHBondContact O-N 3.36Å; S96-C100 PolarHBondContact O-SG 3.28Å; S96-C100 VanDerWaalsContact O-SG 3.37Å
97S93.8Very high91.2Very high30 Ų3061.3 Ų61.321%0.2132%0.316CS..Hα-helixtrans-51.8-42.1174.4-178.80000112.2W85 D86 R101W85-S97 WeakPolarHBondContact CB-OG 3.18Å; W85-S97 PolarHBondContact O-OG 3.14Å; D86-S97 PolarHBondContact N-OG 2.92Å; D86-S97 VanDerWaalsContact OD1-CB 3.29Å; D86-S97 WeakPolarHBondContact OD1-CB 3.43Å; D86-S97 PolarHBondContact OD1-OG 3.31Å; S97-R101 PolarHBondContact O-N 3.19Å
98M94.2Very high90.8Very high111 Ų11159.4 Ų59.455%0.54731%0.305SS..Hα-helixtrans-70.2-42.1178.4-167.7164.2-67.800112.1S96 C100 R101 D102S96-M98 PolarHBondContact O-N 3.5Å; M98-C100 PolarHBondContact O-N 2.59Å; M98-R101 PolarHBondContact O-N 3.24Å; M98-D102 WeakPolarHBondContact O-CB 3.35Å; M98-D102 VanDerWaalsContact O-CG 3.23Å; M98-D102 PolarHBondContact O-N 2.66Å
99D92.8Very high90.4Very high80 Ų8063.3 Ų63.343%0.42832%0.324SS..Hα-helixtrans-63.1-43.9178-60-40.3000111.5H95 S96 R101 D102 H103H95-D99 HydrophobicContact CB-CB 4.23Å; S96-D99 VanDerWaalsContact CB-OD2 3.28Å; S96-D99 WeakPolarHBondContact CB-OD2 3.38Å; S96-D99 PolarHBondContact N-OD2 2.87Å; S96-D99 PolarHBondContact O-N 2.86Å; S96-D99 VanDerWaalsContact O-N 3.14Å; S96-D99 PolarHBondContact OG-N 3.39Å; S96-D99 PolarHBondContact OG-OD2 3.41Å; D99-R101 VanDerWaalsContact C-N 3.35Å; D99-R101 PolarHBondContact O-N 3.45Å; D99-D102 PolarHBondContact O-N 3.09Å; D99-H103 WeakPolarHBondContact O-CB 3.26Å; D99-H103 PolarHBondContact O-N 3.11Å
100C93.6Very high89.7Confident0 Ų066.3 Ų66.30%035%0.345CS..Hα-helixtrans-58.5-46.1176.1-70.60000111.8W65 L73 W85 I88 S96 M98 Y104W65-C100 HydrophobicContact CH2-CB 4.46Å; L73-C100 HydrophobicContact CD1-CB 3.91Å; W85-C100 HydrophobicContact CE3-CB 4.34Å; I88-C100 HydrophobicContact CG2-CB 4.5Å; S96-C100 PolarHBondContact O-N 3.36Å; S96-C100 PolarHBondContact O-SG 3.28Å; S96-C100 VanDerWaalsContact O-SG 3.37Å; M98-C100 PolarHBondContact O-N 2.59Å; C100-Y104 WeakPolarHBondContact O-CB 3.49Å; C100-Y104 PolarHBondContact O-N 3.37Å
101R94.4Very high89Confident84 Ų8463.8 Ų63.832%0.31733%0.325SS..Hα-helixtrans-61.8-51.6177.7178.5-169.972.8-171.9-0111.2W85 S97 M98 D99 H103 Y104 N105W85-R101 HydrophobicContact CD2-CB 3.64Å; W85-R101 HydrophobicContact CD2-CG 4.12Å; W85-R101 HydrophobicContact CE3-CB 4.04Å; W85-R101 HydrophobicContact CG-CB 3.97Å; W85-R101 HydrophobicContact CG-CG 4.47Å; W85-R101 HydrophobicContact CH2-CB 4.4Å; W85-R101 HydrophobicContact CH2-CG 4.47Å; W85-R101 HydrophobicContact CZ2-CB 4.02Å; W85-R101 HydrophobicContact CZ2-CG 3.75Å; W85-R101 HydrophobicContact CZ3-CB 4.41Å; S97-R101 PolarHBondContact O-N 3.19Å; M98-R101 PolarHBondContact O-N 3.24Å; D99-R101 VanDerWaalsContact C-N 3.35Å; D99-R101 PolarHBondContact O-N 3.45Å; R101-H103 VanDerWaalsContact C-N 3.34Å; R101-Y104 PolarHBondContact O-N 3.45Å; R101-N105 WeakPolarHBondContact O-CB 3.23Å; R101-N105 VanDerWaalsContact O-CG 3.24Å; R101-N105 PolarHBondContact O-N 2.98Å; R101-N105 PolarHBondContact O-ND2 3.48Å
102D92.9Very high88.4Confident73 Ų7366 Ų6639%0.3934%0.343SS..Hα-helixtrans-69.5-37-172.6-67.1-5.2000110.6M98 D99 N105 K106M98-D102 WeakPolarHBondContact O-CB 3.35Å; M98-D102 VanDerWaalsContact O-CG 3.23Å; M98-D102 PolarHBondContact O-N 2.66Å; D99-D102 PolarHBondContact O-N 3.09Å; D102-N105 PolarHBondContact O-N 2.81Å; D102-K106 WeakPolarHBondContact O-CB 3.47Å; D102-K106 PolarHBondContact O-N 3.41Å
103H91.2Very high88Confident18 Ų1868.9 Ų68.98%0.08336%0.357CS..Hα-helixtrans-61.2-53.1170.9179.976.6000111.8W65 E70 D99 R101 N105 K106 F107W65-H103 AromaticContact CD1-CE1 3.58Å; W65-H103 AromaticContact CD1-ND1 3.39Å; W65-H103 HydrophobicContact CD2-CB 4.49Å; W65-H103 AromaticContact CD2-CD2 3.59Å; W65-H103 AromaticContact CD2-CE1 3.57Å; W65-H103 AromaticContact CD2-CG 3.69Å; W65-H103 AromaticContact CD2-ND1 3.73Å; W65-H103 AromaticContact CD2-NE2 3.51Å; W65-H103 AromaticContact CE2-CD2 3.65Å; W65-H103 AromaticContact CE2-CE1 3.95Å; W65-H103 AromaticContact CE2-CG 3.34Å; W65-H103 AromaticContact CE2-ND1 3.6Å; W65-H103 AromaticContact CE3-CD2 3.73Å; W65-H103 AromaticContact CE3-NE2 3.69Å; W65-H103 AromaticContact CG-CE1 3.33Å; W65-H103 AromaticContact CG-ND1 3.61Å; W65-H103 AromaticContact CG-NE2 3.74Å; W65-H103 HydrophobicContact CH2-CB 4.31Å; W65-H103 AromaticContact CH2-CD2 3.99Å; W65-H103 HydrophobicContact CZ2-CB 3.57Å; W65-H103 AromaticContact CZ2-CD2 3.85Å; W65-H103 AromaticContact CZ2-CG 3.65Å; W65-H103 AromaticContact CZ3-CD2 3.94Å; W65-H103 AromaticContact NE1-CE1 3.93Å; W65-H103 AromaticContact NE1-CG 3.56Å; W65-H103 AromaticContact NE1-ND1 3.38Å; W65-H103 PolarHBondContact NE1-ND1 2.96Å; E70-H103 IonicContact OE1-NE2 3.86Å; E70-H103 IonicContact OE2-CD2 2.86Å; E70-H103 IonicContact OE2-CE1 2.68Å; E70-H103 IonicContact OE2-NE2 2.99Å; E70-H103 PolarHBondContact OE2-NE2 2.94Å; D99-H103 WeakPolarHBondContact O-CB 3.26Å; D99-H103 PolarHBondContact O-N 3.11Å; R101-H103 VanDerWaalsContact C-N 3.34Å; H103-N105 VanDerWaalsContact C-N 3.29Å; H103-N105 PolarHBondContact O-N 3.5Å; H103-K106 PolarHBondContact O-N 3.21Å; H103-F107 AromaticContact CE1-CD2 3.31Å; H103-F107 WeakPolarHBondContact CE1-CD2 3.34Å; H103-F107 AromaticContact CE1-CE2 3.34Å; H103-F107 WeakPolarHBondContact CE1-CE2 3.16Å; H103-F107 AromaticContact ND1-CD2 3.34Å; H103-F107 VanDerWaalsContact ND1-CD2 3.34Å; H103-F107 WeakPolarHBondContact ND1-CD2 3.43Å; H103-F107 AromaticContact ND1-CE2 3.25Å; H103-F107 WeakPolarHBondContact ND1-CE2 3.29Å; H103-F107 AromaticContact NE2-CD2 3.93Å; H103-F107 WeakPolarHBondContact O-CD2 3.29Å; H103-F107 PolarHBondContact O-N 2.75Å
104Y92.2Very high87.8Confident41 Ų4165.5 Ų65.516%0.16134%0.34CS..Hα-helixtrans-58.1-43.8177.9-177.3-97.5000111.7L74 L77 Y82 W85 C100 R101 K106 F107 Y108 M109L74-Y104 HydrophobicContact CD2-CD2 4.49Å; L74-Y104 HydrophobicContact CD2-CE2 4.2Å; L77-Y104 HydrophobicContact CD1-CD2 3.26Å; L77-Y104 HydrophobicContact CD1-CE2 3.4Å; L77-Y104 HydrophobicContact CD1-CG 3.9Å; Y82-Y104 AromaticContact CD2-CD1 3.94Å; Y82-Y104 HydrophobicContact CD2-CD1 3.94Å; Y82-Y104 AromaticContact CD2-CE1 3.61Å; Y82-Y104 HydrophobicContact CD2-CE1 3.61Å; Y82-Y104 AromaticContact CE2-CD1 3.71Å; Y82-Y104 HydrophobicContact CE2-CD1 3.71Å; Y82-Y104 AromaticContact CE2-CE1 3.69Å; Y82-Y104 HydrophobicContact CE2-CE1 3.69Å; W85-Y104 AromaticContact CH2-CD1 3.9Å; W85-Y104 HydrophobicContact CH2-CD1 3.9Å; W85-Y104 HydrophobicContact CH2-CG 4.13Å; C100-Y104 WeakPolarHBondContact O-CB 3.49Å; C100-Y104 PolarHBondContact O-N 3.37Å; R101-Y104 PolarHBondContact O-N 3.45Å; Y104-K106 PolarHBondContact O-N 3.1Å; Y104-F107 PolarHBondContact O-N 2.57Å; Y104-Y108 AromaticContact CD2-CD2 3.57Å; Y104-Y108 HydrophobicContact CD2-CD2 3.57Å; Y104-Y108 HydrophobicContact CD2-CE2 4.33Å; Y104-Y108 AromaticContact CD2-CG 3.9Å; Y104-Y108 HydrophobicContact CD2-CG 3.9Å; Y104-Y108 HydrophobicContact CE2-CD1 4.41Å; Y104-Y108 AromaticContact CE2-CD2 3.87Å; Y104-Y108 HydrophobicContact CE2-CD2 3.87Å; Y104-Y108 AromaticContact CE2-CG 3.72Å; Y104-Y108 HydrophobicContact CE2-CG 3.72Å; Y104-Y108 HydrophobicContact CG-CD2 4.31Å; Y104-Y108 WeakPolarHBondContact O-CA 3.46Å; Y104-Y108 WeakPolarHBondContact O-CB 3.2Å; Y104-Y108 PolarHBondContact O-N 3.14Å; Y104-M109 HydrophobicContact CD1-CG 3.96Å; Y104-M109 HydrophobicContact CE1-CE 3.6Å; Y104-M109 HydrophobicContact CE1-CG 3.72Å; Y104-M109 HydrophobicContact CE1-SD 3.96Å; Y104-M109 PolarHBondContact O-N 3.38Å; Y104-M109 WeakPolarHBondContact OH-CE 3.33Å
105N91.9Very high87.5Confident39 Ų3969.5 Ų69.521%0.20935%0.351CS..Iπ-helixtrans-64.7-41.5179.3-75.9-16.7000112.6Y82 R101 D102 H103 M109 S110Y82-N105 PolarHBondContact OH-OD1 2.79Å; Y82-N105 VanDerWaalsContact OH-OD1 3.09Å; R101-N105 WeakPolarHBondContact O-CB 3.23Å; R101-N105 VanDerWaalsContact O-CG 3.24Å; R101-N105 PolarHBondContact O-N 2.98Å; R101-N105 PolarHBondContact O-ND2 3.48Å; D102-N105 PolarHBondContact O-N 2.81Å; H103-N105 VanDerWaalsContact C-N 3.29Å; H103-N105 PolarHBondContact O-N 3.5Å; N105-M109 HydrophobicContact CB-CB 4.48Å; N105-M109 CarbonylContact O-C 3.52Å; N105-M109 PolarHBondContact O-N 2.99Å; N105-M109 WeakPolarHBondContact OD1-CG 3.07Å; N105-S110 PolarHBondContact O-N 3.46Å; N105-S110 PolarHBondContact O-OG 2.92Å
106K88.3Confident87.1Confident136 Ų13673.9 Ų73.959%0.59138%0.375SS*.Iπ-helixtrans-65-40.8179.2-179179.5177.2-178.40112.4D102 H103 Y104 G111D102-K106 WeakPolarHBondContact O-CB 3.47Å; D102-K106 PolarHBondContact O-N 3.41Å; H103-K106 PolarHBondContact O-N 3.21Å; Y104-K106 PolarHBondContact O-N 3.1Å; K106-G111 WeakPolarHBondContact O-CA 3.36Å; K106-G111 PolarHBondContact O-N 3.46Å; K106-G111 VanDerWaalsContact O-N 3.08Å
107F85.6Confident86.3Confident91 Ų9176.9 Ų76.940%0.39939%0.385SS..Iπ-helixtrans-93.6-39.3-175-71.7-78.3000113.6H103 Y104 M113H103-F107 AromaticContact CE1-CD2 3.31Å; H103-F107 WeakPolarHBondContact CE1-CD2 3.34Å; H103-F107 AromaticContact CE1-CE2 3.34Å; H103-F107 WeakPolarHBondContact CE1-CE2 3.16Å; H103-F107 AromaticContact ND1-CD2 3.34Å; H103-F107 VanDerWaalsContact ND1-CD2 3.34Å; H103-F107 WeakPolarHBondContact ND1-CD2 3.43Å; H103-F107 AromaticContact ND1-CE2 3.25Å; H103-F107 WeakPolarHBondContact ND1-CE2 3.29Å; H103-F107 AromaticContact NE2-CD2 3.93Å; H103-F107 WeakPolarHBondContact O-CD2 3.29Å; H103-F107 PolarHBondContact O-N 2.75Å; Y104-F107 PolarHBondContact O-N 2.57Å; F107-M113 WeakPolarHBondContact O-CB 3.08Å
108Y88Confident85.2Confident59 Ų5979.2 Ų79.223%0.23140%0.4CS..Iπ-helixtrans-104.2-34.4-171.9-63.5-89.1000114.5E70 L74 Y104 M113E70-Y108 WeakPolarHBondContact OE1-CE2 3.18Å; E70-Y108 PolarHBondContact OE1-OH 2.73Å; E70-Y108 VanDerWaalsContact OE1-OH 3.11Å; L74-Y108 HydrophobicContact CD2-CE1 4.19Å; L74-Y108 HydrophobicContact CD2-CE2 4.26Å; Y104-Y108 AromaticContact CD2-CD2 3.57Å; Y104-Y108 HydrophobicContact CD2-CD2 3.57Å; Y104-Y108 HydrophobicContact CD2-CE2 4.33Å; Y104-Y108 AromaticContact CD2-CG 3.9Å; Y104-Y108 HydrophobicContact CD2-CG 3.9Å; Y104-Y108 HydrophobicContact CE2-CD1 4.41Å; Y104-Y108 AromaticContact CE2-CD2 3.87Å; Y104-Y108 HydrophobicContact CE2-CD2 3.87Å; Y104-Y108 AromaticContact CE2-CG 3.72Å; Y104-Y108 HydrophobicContact CE2-CG 3.72Å; Y104-Y108 HydrophobicContact CG-CD2 4.31Å; Y104-Y108 WeakPolarHBondContact O-CA 3.46Å; Y104-Y108 WeakPolarHBondContact O-CB 3.2Å; Y104-Y108 PolarHBondContact O-N 3.14Å; Y108-M113 HydrophobicContact CD1-CB 4.41Å; Y108-M113 HydrophobicContact CD1-CG 3.94Å; Y108-M113 HydrophobicContact CE1-CG 4.25Å
109M85.7Confident83.7Confident81 Ų8178.2 Ų78.240%0.39940%0.404SS..Iπ-helixtrans-94.4-33.5-177.3-61.9-67.995.900114.4Y82 Y104 N105 K114Y82-M109 HydrophobicContact CE2-CG 4.41Å; Y104-M109 HydrophobicContact CD1-CG 3.96Å; Y104-M109 HydrophobicContact CE1-CE 3.6Å; Y104-M109 HydrophobicContact CE1-CG 3.72Å; Y104-M109 HydrophobicContact CE1-SD 3.96Å; Y104-M109 PolarHBondContact O-N 3.38Å; Y104-M109 WeakPolarHBondContact OH-CE 3.33Å; N105-M109 HydrophobicContact CB-CB 4.48Å; N105-M109 CarbonylContact O-C 3.52Å; N105-M109 PolarHBondContact O-N 2.99Å; N105-M109 WeakPolarHBondContact OD1-CG 3.07Å; M109-K114 WeakPolarHBondContact O-CD 3.37Å; M109-K114 WeakPolarHBondContact O-CE 3.22Å; M109-K114 WeakPolarHBondContact O-CG 3.38Å
110S80.7Confident82.2Confident81 Ų8180.6 Ų80.657%0.56642%0.424SS*.SBendtrans-125.1-6.2-177.262.20000113.8N105N105-S110 PolarHBondContact O-N 3.46Å; N105-S110 PolarHBondContact O-OG 2.92Å
111G77.2Confident80.4Confident13 Ų1385.4 Ų85.413%0.13446%0.457CS..SBendtrans-89.5-172-175.900000114.6K106 M113 K114 E115K106-G111 WeakPolarHBondContact O-CA 3.36Å; K106-G111 PolarHBondContact O-N 3.46Å; K106-G111 VanDerWaalsContact O-N 3.08Å; G111-M113 PolarHBondContact O-N 3.26Å; G111-M113 VanDerWaalsContact O-N 3.14Å; G111-K114 VanDerWaalsContact O-CB 3.26Å; G111-K114 WeakPolarHBondContact O-CB 3.49Å; G111-K114 PolarHBondContact O-N 3.34Å; G111-E115 PolarHBondContact O-N 2.81Å
112T79Confident78.8Confident108 Ų10887.3 Ų87.366%0.66348%0.482SS*.Hα-helixtrans-55.1-32.2177.252.40000112.8K114 E115 L116T112-K114 VanDerWaalsContact C-N 3.33Å; T112-K114 PolarHBondContact O-N 3.02Å; T112-E115 PolarHBondContact O-N 3.47Å; T112-L116 WeakPolarHBondContact O-CB 3.34Å; T112-L116 PolarHBondContact O-N 3.06Å
113M79.5Confident77.3Confident70 Ų7087.6 Ų87.635%0.34549%0.49SS..Hα-helixtrans-66.5-36.8177.4-162.963.6171.600111.5F107 Y108 G111 E115 L116 M117F107-M113 WeakPolarHBondContact O-CB 3.08Å; Y108-M113 HydrophobicContact CD1-CB 4.41Å; Y108-M113 HydrophobicContact CD1-CG 3.94Å; Y108-M113 HydrophobicContact CE1-CG 4.25Å; G111-M113 PolarHBondContact O-N 3.26Å; G111-M113 VanDerWaalsContact O-N 3.14Å; M113-E115 VanDerWaalsContact C-N 3.34Å; M113-L116 PolarHBondContact O-N 3.14Å; M113-L116 HydrophobicContact SD-CD2 4.49Å; M113-M117 HydrophobicContact CE-CE 3.51Å; M113-M117 HydrophobicContact CE-CG 3.98Å; M113-M117 HydrophobicContact CE-SD 3.81Å; M113-M117 HydrophobicContact CG-CG 3.94Å; M113-M117 VanDerWaalsContact O-CB 3.24Å; M113-M117 WeakPolarHBondContact O-CB 3.35Å; M113-M117 WeakPolarHBondContact O-CG 3.22Å; M113-M117 PolarHBondContact O-N 3.17Å; M113-M117 HydrophobicContact SD-CE 3.91Å; M113-M117 HydrophobicContact SD-CG 4.18Å
114K80Confident75.7Confident102 Ų10292.3 Ų92.344%0.44352%0.522SS..Hα-helixtrans-61-46.1173.5-172.8-139.5-166.5169.40110.6M109 G111 T112 L116 M117 C118M109-K114 WeakPolarHBondContact O-CD 3.37Å; M109-K114 WeakPolarHBondContact O-CE 3.22Å; M109-K114 WeakPolarHBondContact O-CG 3.38Å; G111-K114 VanDerWaalsContact O-CB 3.26Å; G111-K114 WeakPolarHBondContact O-CB 3.49Å; G111-K114 PolarHBondContact O-N 3.34Å; T112-K114 VanDerWaalsContact C-N 3.33Å; T112-K114 PolarHBondContact O-N 3.02Å; K114-L116 VanDerWaalsContact C-N 3.28Å; K114-L116 PolarHBondContact O-N 3.14Å; K114-M117 PolarHBondContact O-N 3.41Å; K114-C118 WeakPolarHBondContact O-CA 3.14Å; K114-C118 WeakPolarHBondContact O-CB 3.06Å; K114-C118 PolarHBondContact O-N 3.4Å; K114-C118 PolarHBondContact O-SG 3.38Å
115E77.8Confident74.4Confident147 Ų14798.6 Ų98.669%0.68755%0.551SS**Hα-helixtrans-63.3-34.5179-63176.6171.600112.3G111 T112 M113G111-E115 PolarHBondContact O-N 2.81Å; T112-E115 PolarHBondContact O-N 3.47Å; M113-E115 VanDerWaalsContact C-N 3.34Å
116L77.9Confident73.4Confident131 Ų131102.9 Ų102.969%0.68658%0.578SS**Hα-helixtrans-78.5-38.3178.3-16870.5000112.9T112 M113 K114T112-L116 WeakPolarHBondContact O-CB 3.34Å; T112-L116 PolarHBondContact O-N 3.06Å; M113-L116 PolarHBondContact O-N 3.14Å; M113-L116 HydrophobicContact SD-CD2 4.49Å; K114-L116 VanDerWaalsContact C-N 3.28Å; K114-L116 PolarHBondContact O-N 3.14Å
117M75.9Confident72.6Confident119 Ų119103.2 Ų103.259%0.58658%0.579SS**Hα-helixtrans-82.9-35.3-177.3-65.5-64.3111.500112.2M113 K114 S119M113-M117 HydrophobicContact CE-CE 3.51Å; M113-M117 HydrophobicContact CE-CG 3.98Å; M113-M117 HydrophobicContact CE-SD 3.81Å; M113-M117 HydrophobicContact CG-CG 3.94Å; M113-M117 VanDerWaalsContact O-CB 3.24Å; M113-M117 WeakPolarHBondContact O-CB 3.35Å; M113-M117 WeakPolarHBondContact O-CG 3.22Å; M113-M117 PolarHBondContact O-N 3.17Å; M113-M117 HydrophobicContact SD-CE 3.91Å; M113-M117 HydrophobicContact SD-CG 4.18Å; K114-M117 PolarHBondContact O-N 3.41Å; M117-S119 PolarHBondContact O-N 3.27Å
118C69.8Low71.6Confident80 Ų80106 Ų10654%0.54159%0.594SS.*SBendtrans-73.485.8166.3-68.30000108K114K114-C118 WeakPolarHBondContact O-CA 3.14Å; K114-C118 WeakPolarHBondContact O-CB 3.06Å; K114-C118 PolarHBondContact O-N 3.4Å; K114-C118 PolarHBondContact O-SG 3.38Å
119S62.7Low70.6Confident89 Ų89110.3 Ų110.362%0.62262%0.616SS**  trans-41.7147.5154.5-176.10000108.9M117 C121M117-S119 PolarHBondContact O-N 3.27Å; S119-C121 PolarHBondContact O-N 2.69Å
120P62.7Low69.5Low131 Ų131111.1 Ų111.185%0.85163%0.626SS**  trans-62.771179.426.2-36000111.3S122P120-S122 PolarHBondContact O-N 3.32Å
121C55Low68.3Low101 Ų101113.9 Ų113.968%0.68263%0.625SS**  trans-76.9114.2172.9-141.90000104.1S119 S123S119-C121 PolarHBondContact O-N 2.69Å; C121-S123 VanDerWaalsContact C-N 3.28Å; C121-S123 PolarHBondContact O-N 3.44Å
122S61.4Low67.1Low123 Ų123118.2 Ų118.286%0.8665%0.65SS**SBendtrans-54.394.3174.1-89.80000109P120P120-S122 PolarHBondContact O-N 3.32Å
123S60.2Low65.5Low80 Ų80119.9 Ų119.956%0.55966%0.655SS**  trans52.6120.1-176.3-176.30000114C121 F125C121-S123 VanDerWaalsContact C-N 3.28Å; C121-S123 PolarHBondContact O-N 3.44Å; S123-F125 PolarHBondContact O-N 2.96Å; S123-F125 PolarHBondContact OG-N 3.2Å
124P58.2Low64Low116 Ų116126 Ų12675%0.75368%0.68SS**  trans-70.362.9162.732.6-33.7000109.1V126P124-V126 PolarHBondContact O-N 3.37Å
125F65.7Low62.5Low174 Ų174125.6 Ų125.676%0.76368%0.681SS**  trans-74.389169.5-160.8-91.5000105.8S123 K127S123-F125 PolarHBondContact O-N 2.96Å; S123-F125 PolarHBondContact OG-N 3.2Å; F125-K127 PolarHBondContact O-N 2.83Å
126V70.4Confident61Low128 Ų128123 Ų12378%0.77668%0.678SS**  trans-59.5105.3170178.50000105.8P124 E128P124-V126 PolarHBondContact O-N 3.37Å; V126-E128 PolarHBondContact O-N 3.2Å
127K71.1Confident59.5Low143 Ų143123.6 Ų123.662%0.62268%0.681SS**  trans-65.6109.3172-177.2172.4178.8177.10106.5F125 H129F125-K127 PolarHBondContact O-N 2.83Å; K127-H129 PolarHBondContact O-CD2 2.85Å; K127-H129 PolarHBondContact O-N 2.94Å
128E65Low58.3Low149 Ų149123 Ų12370%0.69669%0.689SS**  trans-64.3111.8172.2-171.6169.3-166.100108.1V126 T130V126-E128 PolarHBondContact O-N 3.2Å; E128-T130 VanDerWaalsContact C-N 3.32Å
129H66.8Low57.3Low151 Ų151126.6 Ų126.670%0.69970%0.698SS**  trans-92.70.4173.8-69.7-78.2000112K127 Y131K127-H129 PolarHBondContact O-CD2 2.85Å; K127-H129 PolarHBondContact O-N 2.94Å; H129-Y131 VanDerWaalsContact C-N 3.31Å; H129-Y131 PolarHBondContact O-N 3.38Å
130T63.1Low56.7Low98 Ų98125.7 Ų125.760%0.60169%0.688SS**SBendtrans-71.589.6173.8-43.20000108.2E128E128-T130 VanDerWaalsContact C-N 3.32Å
131Y55.9Low55.9Low139 Ų139127.9 Ų127.955%0.54569%0.687SS.*SBendtrans65.5124.7180-71.6-93.2000115.3H129 N133 R162 E164H129-Y131 VanDerWaalsContact C-N 3.31Å; H129-Y131 PolarHBondContact O-N 3.38Å; Y131-N133 PolarHBondContact O-N 3.22Å; Y131-R162 PolarHBondContact OH-O 2.87Å; Y131-R162 VanDerWaalsContact OH-O 3.08Å; Y131-E164 PolarHBondContact OH-OE1 2.84Å
132P50.8Low55.6Low104 Ų104129.1 Ų129.168%0.67569%0.687SS**  trans-71.5135.4173.331.3-29.3000107.8
133N46.8Very low55Low142 Ų142129.2 Ų129.276%0.75968%0.678SS**SBendtrans49.4105.8148.1-54.1-29.3000114.5Y131 I135Y131-N133 PolarHBondContact O-N 3.22Å; N133-I135 VanDerWaalsContact C-N 3.34Å; N133-I135 PolarHBondContact O-N 3.47Å
134K46.9Very low54.6Low200 Ų200132 Ų13287%0.8769%0.686SS**  trans0.892.2140.5-61.5-179.1180-173.90109.8P136K134-P136 WeakPolarHBondContact O-CD 3.34Å
135I48Very low54.4Low92 Ų92131 Ų13147%0.47268%0.682SS.*  trans-49119.1167.9-65.5164000102.3N133 D137 E139 V140N133-I135 VanDerWaalsContact C-N 3.34Å; N133-I135 PolarHBondContact O-N 3.47Å; I135-D137 PolarHBondContact O-N 3.44Å; I135-E139 HydrophobicContact CG2-CB 3.72Å; I135-V140 HydrophobicContact CB-CG2 4.35Å; I135-V140 HydrophobicContact CG2-CG2 4.3Å
136P46.5Very low54Low94 Ų94124.4 Ų124.461%0.6166%0.656SS**  trans-46127.6-178.2-25.732.2000106.5K134 S138 E139K134-P136 WeakPolarHBondContact O-CD 3.34Å; P136-S138 PolarHBondContact O-N 3.44Å; P136-E139 PolarHBondContact O-N 3.2Å
137D46.7Very low53.8Low142 Ų142125.3 Ų125.376%0.75966%0.657SS**G310 helixtrans-48.4-18.1-167.6-65.6-48.4000113.2I135 E139 V140I135-D137 PolarHBondContact O-N 3.44Å; D137-E139 PolarHBondContact O-N 3.48Å; D137-V140 PolarHBondContact O-N 2.89Å
138S50.9Low53.8Low108 Ų108119.3 Ų119.376%0.75563%0.632SS**G310 helixtrans-58.3-23.3171.4-490000117.9P136P136-S138 PolarHBondContact O-N 3.44Å
139E48.1Very low54.4Low154 Ų154121 Ų12172%0.7263%0.632SS**G310 helixtrans-102.4-10.1177.8-69.2-173.1-175.200114.2I135 P136 D137 E141I135-E139 HydrophobicContact CG2-CB 3.72Å; P136-E139 PolarHBondContact O-N 3.2Å; D137-E139 PolarHBondContact O-N 3.48Å; E139-E141 VanDerWaalsContact C-N 3.31Å; E139-E141 PolarHBondContact O-N 3.48Å
140V49.7Very low55.2Low70 Ų70119.1 Ų119.142%0.42463%0.626SS.*THydrogen-bonded Turntrans-72.1-25.5-176.2-179.50000112I135 D137 N142I135-V140 HydrophobicContact CB-CG2 4.35Å; I135-V140 HydrophobicContact CG2-CG2 4.3Å; D137-V140 PolarHBondContact O-N 2.89Å; V140-N142 VanDerWaalsContact C-N 3.27Å; V140-N142 PolarHBondContact O-N 2.9Å
141E48Very low56Low177 Ų177119 Ų11983%0.82762%0.622SS**THydrogen-bonded Turntrans-69.3-20.7-174.6-73.7-166.4154.100114.5E139E139-E141 VanDerWaalsContact C-N 3.31Å; E139-E141 PolarHBondContact O-N 3.48Å
142N47.5Very low57.2Low127 Ų127114.1 Ų114.168%0.67960%0.604SS**THydrogen-bonded Turntrans-102.3-16-162.7-77.3-26.5000118.4V140V140-N142 VanDerWaalsContact C-N 3.27Å; V140-N142 PolarHBondContact O-N 2.9Å
143N48.6Very low58.8Low126 Ų126111.2 Ų111.267%0.67458%0.582SS**THydrogen-bonded Turntrans-155.113.8-178.3-76.7-56.6000118S145N143-S145 VanDerWaalsContact C-N 3.26Å; N143-S145 PolarHBondContact O-N 2.98Å
144L52.9Low60.7Low139 Ų139111.4 Ų111.473%0.72858%0.576SS**  trans-77.5-8.2-180-122.984000114.7C146L144-C146 PolarHBondContact O-N 2.97Å
145S52.8Low62.5Low95 Ų95106.3 Ų106.366%0.66456%0.557SS**  trans-74.775.1173.4-154.80000109.8N143 D147N143-S145 VanDerWaalsContact C-N 3.26Å; N143-S145 PolarHBondContact O-N 2.98Å; S145-D147 PolarHBondContact O-N 2.92Å
146C58.5Low64.2Low34 Ų34103.9 Ų103.923%0.2355%0.545CS..  trans-7185.6164.2-161.50000106.9L144 L148 Y158 P160L144-C146 PolarHBondContact O-N 2.97Å; C146-L148 PolarHBondContact O-N 2.67Å; C146-L148 WeakPolarHBondContact SG-CD1 3.33Å; C146-L148 WeakPolarHBondContact SG-CG 3.26Å; C146-Y158 VanDerWaalsContact SG-CE1 3.58Å; C146-P160 HydrophobicContact CB-CB 4Å
147D65.5Low66.2Low148 Ų14899.8 Ų99.879%0.79152%0.52SS*.  trans-7250.6-179.6-114.7-15.8000111.3S145S145-D147 PolarHBondContact O-N 2.92Å
148L70.2Confident68.1Low17 Ų1793.8 Ų93.89%0.08949%0.487CS..  trans-93.1119.4174.3-66.4-178.5000108.6C146 H152 Q153 L156 Y158 V221 M225C146-L148 PolarHBondContact O-N 2.67Å; C146-L148 WeakPolarHBondContact SG-CD1 3.33Å; C146-L148 WeakPolarHBondContact SG-CG 3.26Å; L148-H152 HydrophobicContact CD2-CB 4.47Å; L148-Q153 HydrophobicContact CB-CG 3.7Å; L148-Q153 PolarHBondContact O-NE2 3.2Å; L148-L156 HydrophobicContact CD1-CD1 4.08Å; L148-Y158 HydrophobicContact CD1-CD1 3.79Å; L148-Y158 HydrophobicContact CD1-CE1 4.27Å; L148-V221 HydrophobicContact CD1-CG1 3.8Å; L148-M225 HydrophobicContact CD2-CB 4.31Å; L148-M225 HydrophobicContact CD2-CG 3.59Å
149R78.9Confident69.9Low183 Ų18391.4 Ų91.469%0.69147%0.465SS*.  trans-57.5150.7166.8-64.6-178.4176.5-174.7-2.9110.5D151 H152 Q153R149-D151 WeakPolarHBondContact CB-OD1 3.28Å; R149-D151 PolarHBondContact O-N 3.42Å; R149-H152 WeakPolarHBondContact O-CA 3.37Å; R149-H152 WeakPolarHBondContact O-CB 3.31Å; R149-H152 PolarHBondContact O-N 3.34Å; R149-Q153 PolarHBondContact O-N 2.89Å
150L82.5Confident71.5Confident112 Ų11285.3 Ų85.359%0.58644%0.439SS*.Hα-helixtrans-57.3-34.5-175.8-17664.5000113.6K154L150-K154 WeakPolarHBondContact O-CG 3.05Å; L150-K154 PolarHBondContact O-N 3.47Å
151D81.5Confident73Confident96 Ų9693 Ų9351%0.51346%0.462SS..Hα-helixtrans-67.2-35.8175.161.1-34.3000112.4R149 L155R149-D151 WeakPolarHBondContact CB-OD1 3.28Å; R149-D151 PolarHBondContact O-N 3.42Å; D151-L155 PolarHBondContact O-N 3.38Å; D151-L155 VanDerWaalsContact O-N 3.11Å
152H80.4Confident74.8Confident36 Ų3690.8 Ų90.817%0.16745%0.446CS..Hα-helixtrans-71.4-41.8175.5-59170000112.1L148 R149 K154 L155 L156 M225L148-H152 HydrophobicContact CD2-CB 4.47Å; R149-H152 WeakPolarHBondContact O-CA 3.37Å; R149-H152 WeakPolarHBondContact O-CB 3.31Å; R149-H152 PolarHBondContact O-N 3.34Å; H152-K154 VanDerWaalsContact C-N 3.3Å; H152-K154 PolarHBondContact O-N 2.85Å; H152-L155 PolarHBondContact O-N 3.38Å; H152-L155 VanDerWaalsContact O-N 3.17Å; H152-L156 PolarHBondContact O-N 3.03Å; H152-L156 VanDerWaalsContact O-N 3.08Å; H152-M225 HydrophobicContact CB-SD 4.14Å
153Q84.6Confident76.4Confident44 Ų4486.4 Ų86.421%0.20642%0.423CS..Hα-helixtrans-55.9-47.1174.9-65.5177.720.800110.7L148 R149 L155 L156 G157 Y158 P160L148-Q153 HydrophobicContact CB-CG 3.7Å; L148-Q153 PolarHBondContact O-NE2 3.2Å; R149-Q153 PolarHBondContact O-N 2.89Å; Q153-L155 PolarHBondContact O-N 3.11Å; Q153-L156 PolarHBondContact O-N 3.35Å; Q153-G157 WeakPolarHBondContact O-CA 3.45Å; Q153-G157 PolarHBondContact O-N 3.26Å; Q153-Y158 PolarHBondContact O-N 3.09Å; Q153-P160 HydrophobicContact CG-CG 3.9Å
154K86Confident78.2Confident145 Ų14582.4 Ų82.463%0.6340%0.4SS*.Hα-helixtrans-63.7-37.4176.6-72.4177.1-178.9-179.80113.6L150 H152 L156 G157L150-K154 WeakPolarHBondContact O-CG 3.05Å; L150-K154 PolarHBondContact O-N 3.47Å; H152-K154 VanDerWaalsContact C-N 3.3Å; H152-K154 PolarHBondContact O-N 2.85Å; K154-L156 VanDerWaalsContact C-N 3.31Å; K154-G157 PolarHBondContact O-N 3.2Å
155L85Confident80Confident93 Ų9378.2 Ų78.249%0.48738%0.376SS..Hα-helixtrans-67.4-35.5179.5-178.163.9000112D151 H152 Q153 L228 Q232D151-L155 PolarHBondContact O-N 3.38Å; D151-L155 VanDerWaalsContact O-N 3.11Å; H152-L155 PolarHBondContact O-N 3.38Å; H152-L155 VanDerWaalsContact O-N 3.17Å; Q153-L155 PolarHBondContact O-N 3.11Å; L155-L228 HydrophobicContact CD2-CD1 3.93Å; L155-L228 HydrophobicContact CG-CD1 4.25Å; L155-Q232 VanDerWaalsContact CD2-NE2 3.27Å
156L84.5Confident81.8Confident41 Ų4179.6 Ų79.622%0.21537%0.372CS..Hα-helixtrans-77.9-26.3173.3-83.7172.7000114L148 H152 Q153 K154 V221 M225L148-L156 HydrophobicContact CD1-CD1 4.08Å; H152-L156 PolarHBondContact O-N 3.03Å; H152-L156 VanDerWaalsContact O-N 3.08Å; Q153-L156 PolarHBondContact O-N 3.35Å; K154-L156 VanDerWaalsContact C-N 3.31Å; L156-V221 HydrophobicContact CD1-CG1 3.52Å; L156-M225 HydrophobicContact CD1-CE 3.3Å; L156-M225 HydrophobicContact CD1-CG 3.77Å; L156-M225 HydrophobicContact CD1-SD 3.37Å; L156-M225 WeakPolarHBondContact CD1-SD 3.4Å; L156-M225 HydrophobicContact CD2-CE 3.08Å; L156-M225 HydrophobicContact CD2-SD 4.22Å; L156-M225 HydrophobicContact CG-CE 3.07Å; L156-M225 HydrophobicContact CG-CG 4.5Å; L156-M225 HydrophobicContact CG-SD 3.5Å; L156-M225 WeakPolarHBondContact CG-SD 3.31Å
157G87.3Confident83.3Confident8 Ų884.4 Ų84.48%0.08239%0.394CS..THydrogen-bonded Turntrans59.137-157.700000110.8Q153 K154 F165 E166Q153-G157 WeakPolarHBondContact O-CA 3.45Å; Q153-G157 PolarHBondContact O-N 3.26Å; K154-G157 PolarHBondContact O-N 3.2Å; G157-F165 CarbonylContact O-C 3.43Å; G157-F165 VanDerWaalsContact O-CA 3.25Å; G157-F165 WeakPolarHBondContact O-CA 3.35Å; G157-E166 PolarHBondContact O-N 3.15Å
158Y87.8Confident84.6Confident17 Ų1778.6 Ų78.67%0.06736%0.362CS..EExtended strand (participates in β ladder)trans-98.2136.5177.2178.3-107.9000109.6C146 L148 Q153 P160 D163 E164 F165 V221C146-Y158 VanDerWaalsContact SG-CE1 3.58Å; L148-Y158 HydrophobicContact CD1-CD1 3.79Å; L148-Y158 HydrophobicContact CD1-CE1 4.27Å; Q153-Y158 PolarHBondContact O-N 3.09Å; Y158-P160 HydrophobicContact CD1-CB 4.44Å; Y158-P160 HydrophobicContact CD1-CG 3.85Å; Y158-P160 HydrophobicContact CE1-CB 3.95Å; Y158-P160 HydrophobicContact CE1-CG 3.85Å; Y158-P160 WeakPolarHBondContact O-CD 3.46Å; Y158-D163 WeakPolarHBondContact CE2-OD1 3.31Å; Y158-D163 PolarHBondContact OH-OD1 3.02Å; Y158-E164 WeakPolarHBondContact CD2-O 3.47Å; Y158-F165 AromaticContact CD2-CD1 3.83Å; Y158-F165 HydrophobicContact CD2-CD1 3.83Å; Y158-F165 HydrophobicContact CD2-CD2 4.47Å; Y158-F165 AromaticContact CD2-CE1 3.52Å; Y158-F165 HydrophobicContact CD2-CE1 3.52Å; Y158-F165 HydrophobicContact CD2-CE2 4.17Å; Y158-F165 HydrophobicContact CD2-CG 4.29Å; Y158-F165 AromaticContact CD2-CZ 3.69Å; Y158-F165 HydrophobicContact CD2-CZ 3.69Å; Y158-F165 HydrophobicContact CE2-CE1 4.48Å; Y158-F165 HydrophobicContact CE2-CZ 4.23Å; Y158-F165 HydrophobicContact CG-CD1 4.34Å; Y158-F165 HydrophobicContact CG-CE1 4.03Å; Y158-V221 HydrophobicContact CD1-CG1 4Å; Y158-V221 HydrophobicContact CE1-CG1 4.23Å; Y158-V221 HydrophobicContact CE2-CG2 4.37Å; Y158-V221 HydrophobicContact CG-CG1 4.13Å
159L87.5Confident85.5Confident57 Ų5782 Ų8230%0.29838%0.375SS..EExtended strand (participates in β ladder)trans-111.889.8-176.5-61.5169.3000109Y161 R162 D163 E164 E166L159-Y161 VanDerWaalsContact C-N 3.34Å; L159-Y161 PolarHBondContact O-N 3.18Å; L159-R162 HydrophobicContact CB-CB 4.31Å; L159-R162 CarbonylContact O-C 3.57Å; L159-R162 PolarHBondContact O-N 3.5Å; L159-D163 PolarHBondContact O-N 3.07Å; L159-E164 WeakPolarHBondContact CB-O 3.37Å; L159-E164 PolarHBondContact N-O 3.44Å; L159-E164 PolarHBondContact O-N 2.91Å; L159-E166 HydrophobicContact CD1-CG 4.23Å; L159-E166 HydrophobicContact CD2-CG 4.26Å; L159-E166 HydrophobicContact CG-CG 4.18Å
160P82Confident86.1Confident26 Ų2676.5 Ų76.517%0.16936%0.358CS..THydrogen-bonded Turntrans-58.7-39.3-167.9-25.834.2000114.9C146 Q153 Y158 R162 D163C146-P160 HydrophobicContact CB-CB 4Å; Q153-P160 HydrophobicContact CG-CG 3.9Å; Y158-P160 HydrophobicContact CD1-CB 4.44Å; Y158-P160 HydrophobicContact CD1-CG 3.85Å; Y158-P160 HydrophobicContact CE1-CB 3.95Å; Y158-P160 HydrophobicContact CE1-CG 3.85Å; Y158-P160 WeakPolarHBondContact O-CD 3.46Å; P160-R162 VanDerWaalsContact C-N 3.25Å; P160-R162 PolarHBondContact O-N 3.34Å; P160-D163 PolarHBondContact O-N 3.12Å
161Y81.5Confident86.6Confident231 Ų23175.4 Ų75.491%0.90635%0.353SS*.THydrogen-bonded Turntrans-69.6-22.1-179.9-65.4-68.6000113.9L159L159-Y161 VanDerWaalsContact C-N 3.34Å; L159-Y161 PolarHBondContact O-N 3.18Å
162R84.5Confident87.1Confident131 Ų13173.8 Ų73.849%0.49435%0.349SS..THydrogen-bonded Turntrans-99.9-12175.1-60.5-177.574.3-119-12.7111.6Y131 L159 P160 E164Y131-R162 PolarHBondContact OH-O 2.87Å; Y131-R162 VanDerWaalsContact OH-O 3.08Å; L159-R162 HydrophobicContact CB-CB 4.31Å; L159-R162 CarbonylContact O-C 3.57Å; L159-R162 PolarHBondContact O-N 3.5Å; P160-R162 VanDerWaalsContact C-N 3.25Å; P160-R162 PolarHBondContact O-N 3.34Å; R162-E164 HydrophobicContact CB-CB 4.14Å; R162-E164 HydrophobicContact CB-CG 4.37Å; R162-E164 IonicContact CZ-OE1 3.48Å; R162-E164 IonicContact CZ-OE2 3.75Å; R162-E164 IonicContact NE-OE2 2.74Å; R162-E164 IonicContact NH1-OE2 3.85Å; R162-E164 PolarHBondContact NH1-OE2 3.26Å; R162-E164 IonicContact NH2-OE1 2.96Å; R162-E164 PolarHBondContact NH2-OE1 3.47Å; R162-E164 IonicContact NH2-OE2 3.89Å; R162-E164 PolarHBondContact NH2-OE2 2.94Å; R162-E164 WeakPolarHBondContact O-CG 3.4Å; R162-E164 PolarHBondContact O-N 3.23Å
163D81.5Confident87.7Confident36 Ų3672.1 Ų72.119%0.19334%0.342CS..THydrogen-bonded Turntrans47.144.8-169.7-166.824.9000112.5Y158 L159 P160 H212 R216Y158-D163 WeakPolarHBondContact CE2-OD1 3.31Å; Y158-D163 PolarHBondContact OH-OD1 3.02Å; L159-D163 PolarHBondContact O-N 3.07Å; P160-D163 PolarHBondContact O-N 3.12Å; D163-H212 PolarHBondContact O-ND1 3.4Å; D163-R216 IonicContact OD2-CZ 3.29Å; D163-R216 IonicContact OD2-NE 3.95Å; D163-R216 PolarHBondContact OD2-NE 3.37Å; D163-R216 IonicContact OD2-NH2 2.76Å; D163-R216 PolarHBondContact OD2-NH2 3.3Å
164E87.4Confident88.1Confident42 Ų4273.6 Ų73.620%0.19635%0.349CS..EExtended strand (participates in β ladder)trans-131.1160-175.3-78.8171.9-14700110.1Y131 Y158 L159 R162Y131-E164 PolarHBondContact OH-OE1 2.84Å; Y158-E164 WeakPolarHBondContact CD2-O 3.47Å; L159-E164 WeakPolarHBondContact CB-O 3.37Å; L159-E164 PolarHBondContact N-O 3.44Å; L159-E164 PolarHBondContact O-N 2.91Å; R162-E164 HydrophobicContact CB-CB 4.14Å; R162-E164 HydrophobicContact CB-CG 4.37Å; R162-E164 IonicContact CZ-OE1 3.48Å; R162-E164 IonicContact CZ-OE2 3.75Å; R162-E164 IonicContact NE-OE2 2.74Å; R162-E164 IonicContact NH1-OE2 3.85Å; R162-E164 PolarHBondContact NH1-OE2 3.26Å; R162-E164 IonicContact NH2-OE1 2.96Å; R162-E164 PolarHBondContact NH2-OE1 3.47Å; R162-E164 IonicContact NH2-OE2 3.89Å; R162-E164 PolarHBondContact NH2-OE2 2.94Å; R162-E164 WeakPolarHBondContact O-CG 3.4Å; R162-E164 PolarHBondContact O-N 3.23Å
165F89.7Confident88.4Confident50 Ų5072.9 Ų72.922%0.21935%0.348CS..EExtended strand (participates in β ladder)trans-101.3145.9170.7-63.3-86.2000110.2G157 Y158 I167 E168 H212 V221G157-F165 CarbonylContact O-C 3.43Å; G157-F165 VanDerWaalsContact O-CA 3.25Å; G157-F165 WeakPolarHBondContact O-CA 3.35Å; Y158-F165 AromaticContact CD2-CD1 3.83Å; Y158-F165 HydrophobicContact CD2-CD1 3.83Å; Y158-F165 HydrophobicContact CD2-CD2 4.47Å; Y158-F165 AromaticContact CD2-CE1 3.52Å; Y158-F165 HydrophobicContact CD2-CE1 3.52Å; Y158-F165 HydrophobicContact CD2-CE2 4.17Å; Y158-F165 HydrophobicContact CD2-CG 4.29Å; Y158-F165 AromaticContact CD2-CZ 3.69Å; Y158-F165 HydrophobicContact CD2-CZ 3.69Å; Y158-F165 HydrophobicContact CE2-CE1 4.48Å; Y158-F165 HydrophobicContact CE2-CZ 4.23Å; Y158-F165 HydrophobicContact CG-CD1 4.34Å; Y158-F165 HydrophobicContact CG-CE1 4.03Å; F165-I167 WeakPolarHBondContact CB-O 3.23Å; F165-I167 PolarHBondContact O-N 3.28Å; F165-E168 PolarHBondContact N-OE1 2.73Å; F165-H212 AromaticContact CD2-CE1 3.41Å; F165-H212 VanDerWaalsContact CD2-CE1 3.41Å; F165-H212 WeakPolarHBondContact CD2-CE1 3.44Å; F165-H212 AromaticContact CE2-CE1 3.77Å; F165-H212 AromaticContact CE2-ND1 3.93Å; F165-V221 HydrophobicContact CZ-CG2 4.09Å
166E91Very high88.7Confident124 Ų12470.1 Ų70.158%0.57934%0.335SS*.SBendtrans-59.4-30.9171.2-69.9-176175.100111.7G157 L159G157-E166 PolarHBondContact O-N 3.15Å; L159-E166 HydrophobicContact CD1-CG 4.23Å; L159-E166 HydrophobicContact CD2-CG 4.26Å; L159-E166 HydrophobicContact CG-CG 4.18Å
167I90.5Very high89Confident135 Ų13570.3 Ų70.369%0.69234%0.336SS*.SBendtrans-121.9108.9173.9-56.8176000107.9F165 N171F165-I167 WeakPolarHBondContact CB-O 3.23Å; F165-I167 PolarHBondContact O-N 3.28Å; I167-N171 HydrophobicContact CG2-CB 4.28Å
168E91.5Very high89.2Confident27 Ų2775.2 Ų75.213%0.12636%0.36CS..  trans-85.5163.7-175.4-75.1-65.1166.600113.2F165 L170 N171 R208 H212F165-E168 PolarHBondContact N-OE1 2.73Å; E168-L170 PolarHBondContact O-N 3.42Å; E168-N171 PolarHBondContact N-OD1 3.44Å; E168-N171 VanDerWaalsContact N-OD1 3.13Å; E168-N171 PolarHBondContact O-N 2.86Å; E168-R208 HydrophobicContact CB-CG 4.46Å; E168-R208 WeakPolarHBondContact OE2-CD 3.41Å; E168-R208 WeakPolarHBondContact OE2-CG 3.46Å; E168-H212 IonicContact OE1-CE1 2.77Å; E168-H212 PolarHBondContact OE1-CE1 2.79Å; E168-H212 VanDerWaalsContact OE1-CE1 3.3Å; E168-H212 IonicContact OE1-NE2 3.3Å; E168-H212 PolarHBondContact OE1-NE2 3.21Å; E168-H212 IonicContact OE2-CD2 2.9Å; E168-H212 IonicContact OE2-CE1 2.95Å; E168-H212 IonicContact OE2-NE2 3.3Å; E168-H212 PolarHBondContact OE2-NE2 2.51Å
169Y89.4Confident89.1Confident89 Ų8976.7 Ų76.735%0.34937%0.373SS..THydrogen-bonded Turntrans-60.2124.9165.8176.1-104.6000109.4E207 R208 R211Y169-E207 HydrophobicContact CD1-CG 3.87Å; Y169-E207 HydrophobicContact CE1-CB 4.25Å; Y169-E207 HydrophobicContact CE1-CG 3.38Å; Y169-R208 PolarHBondContact O-NE 2.89Å; Y169-R211 VanDerWaalsContact CD2-CZ 3.41Å; Y169-R211 VanDerWaalsContact CD2-NH1 3.28Å; Y169-R211 VanDerWaalsContact CG-CD 3.43Å
170L91.6Very high89Confident66 Ų6675.7 Ų75.735%0.34637%0.369SS..THydrogen-bonded Turntrans49.566.5-169.7-61.6173.9000110.9E168 S172 A173 Y204 R208E168-L170 PolarHBondContact O-N 3.42Å; L170-S172 PolarHBondContact O-N 3.17Å; L170-A173 HydrophobicContact CB-CB 4.48Å; L170-A173 VanDerWaalsContact O-CB 3.25Å; L170-A173 WeakPolarHBondContact O-CB 3.41Å; L170-A173 PolarHBondContact O-N 2.78Å; L170-Y204 HydrophobicContact CD1-CD1 3.63Å; L170-Y204 HydrophobicContact CD1-CE1 3.83Å; L170-Y204 HydrophobicContact CD1-CG 4.05Å; L170-R208 PolarHBondContact O-NH2 2.92Å
171N93.5Very high89Confident90 Ų9081.3 Ų81.348%0.48139%0.388SS..THydrogen-bonded Turntrans-59.6-15.1-178.4-163.284000114.6I167 E168I167-N171 HydrophobicContact CG2-CB 4.28Å; E168-N171 PolarHBondContact N-OD1 3.44Å; E168-N171 VanDerWaalsContact N-OD1 3.13Å; E168-N171 PolarHBondContact O-N 2.86Å
172S92.6Very high88.8Confident62 Ų6277.1 Ų77.143%0.43439%0.386SS..THydrogen-bonded Turntrans-97.913.7175.761.50000112.9L170 E174 E175L170-S172 PolarHBondContact O-N 3.17Å; S172-E174 PolarHBondContact O-N 3.07Å; S172-E175 VanDerWaalsContact O-CB 3.3Å; S172-E175 WeakPolarHBondContact O-CB 3.48Å; S172-E175 PolarHBondContact O-N 3.43Å
173A92.3Very high88.3Confident1 Ų175.4 Ų75.41%0.00839%0.39CS..G310 helixtrans-59-36.6-177.400000112.3L170 E175 V176 Y204L170-A173 HydrophobicContact CB-CB 4.48Å; L170-A173 VanDerWaalsContact O-CB 3.25Å; L170-A173 WeakPolarHBondContact O-CB 3.41Å; L170-A173 PolarHBondContact O-N 2.78Å; A173-E175 PolarHBondContact O-N 3.22Å; A173-V176 WeakPolarHBondContact O-CB 3.48Å; A173-V176 WeakPolarHBondContact O-CG2 3.45Å; A173-V176 PolarHBondContact O-N 3.07Å; A173-Y204 HydrophobicContact CB-CD2 3.75Å; A173-Y204 HydrophobicContact CB-CG 4.18Å
174E92.7Very high88Confident75 Ų7579.2 Ų79.235%0.3542%0.42SS..G310 helixtrans-65.4-25.3178.5-65.371.9-163.200112S172 V176 L177 Y201 R208S172-E174 PolarHBondContact O-N 3.07Å; E174-V176 PolarHBondContact O-N 2.92Å; E174-L177 PolarHBondContact O-N 3.25Å; E174-L177 VanDerWaalsContact O-N 3.07Å; E174-Y201 HydrophobicContact CG-CE2 4.2Å; E174-R208 IonicContact OE1-CZ 2.62Å; E174-R208 VanDerWaalsContact OE1-CZ 3.3Å; E174-R208 IonicContact OE1-NH1 3.06Å; E174-R208 PolarHBondContact OE1-NH1 3.25Å; E174-R208 IonicContact OE1-NH2 2.71Å; E174-R208 PolarHBondContact OE1-NH2 3.46Å; E174-R208 IonicContact OE2-NH2 2.7Å; E174-R208 PolarHBondContact OE2-NH2 3.33Å
175E93.6Very high87.6Confident130 Ų13083.8 Ų83.861%0.60745%0.445SS*.G310 helixtrans-66.1-22.2179.6-60179.9-177.300112.5S172 A173 L177 N178S172-E175 VanDerWaalsContact O-CB 3.3Å; S172-E175 WeakPolarHBondContact O-CB 3.48Å; S172-E175 PolarHBondContact O-N 3.43Å; A173-E175 PolarHBondContact O-N 3.22Å; E175-L177 PolarHBondContact O-N 3.38Å; E175-N178 VanDerWaalsContact O-CB 3.31Å; E175-N178 WeakPolarHBondContact O-CB 3.46Å; E175-N178 PolarHBondContact O-N 3.28Å; E175-N178 VanDerWaalsContact O-N 3.09Å
176V91.4Very high86.9Confident35 Ų3582.4 Ų82.421%0.21244%0.442CS..G310 helixtrans-59-29173.7179.10000111.4A173 E174 S179 L197 I200 Y204A173-V176 WeakPolarHBondContact O-CB 3.48Å; A173-V176 WeakPolarHBondContact O-CG2 3.45Å; A173-V176 PolarHBondContact O-N 3.07Å; E174-V176 PolarHBondContact O-N 2.92Å; V176-S179 PolarHBondContact O-OG 3.48Å; V176-L197 HydrophobicContact CG1-CB 4.25Å; V176-L197 HydrophobicContact CG1-CD2 3.94Å; V176-I200 HydrophobicContact CG1-CG2 4.44Å; V176-Y204 HydrophobicContact CG2-CD2 4.39Å; V176-Y204 HydrophobicContact CG2-CE2 3.92Å
177L90.8Very high86.7Confident45 Ų4581.6 Ų81.624%0.23644%0.442CS..G310 helixtrans-86.1-8.9-179.6-59.4-177.5000113.5E174 E175 S179 V180 M198 Y201E174-L177 PolarHBondContact O-N 3.25Å; E174-L177 VanDerWaalsContact O-N 3.07Å; E175-L177 PolarHBondContact O-N 3.38Å; L177-S179 PolarHBondContact O-N 3.3Å; L177-S179 VanDerWaalsContact O-N 3.12Å; L177-V180 HydrophobicContact CD2-CG2 4.17Å; L177-V180 WeakPolarHBondContact O-CB 3.37Å; L177-V180 PolarHBondContact O-N 3.24Å; L177-M198 HydrophobicContact CD1-SD 4.28Å; L177-M198 HydrophobicContact CD2-CE 3.85Å; L177-M198 HydrophobicContact CD2-SD 3.68Å; L177-Y201 HydrophobicContact CD1-CD1 3.84Å; L177-Y201 HydrophobicContact CD1-CD2 3.85Å; L177-Y201 HydrophobicContact CD1-CE1 3.95Å; L177-Y201 HydrophobicContact CD1-CE2 3.98Å; L177-Y201 HydrophobicContact CD1-CG 3.77Å; L177-Y201 HydrophobicContact CD2-CD1 4.48Å; L177-Y201 HydrophobicContact CD2-CG 4.09Å; L177-Y201 HydrophobicContact CG-CD1 4.45Å; L177-Y201 HydrophobicContact CG-CD2 4.03Å; L177-Y201 HydrophobicContact CG-CG 3.95Å
178N90.8Very high86.6Confident111 Ų11183.3 Ų83.359%0.59445%0.446SS*.G310 helixtrans-62-23.5-179-72-19.3000113E175 Y181E175-N178 VanDerWaalsContact O-CB 3.31Å; E175-N178 WeakPolarHBondContact O-CB 3.46Å; E175-N178 PolarHBondContact O-N 3.28Å; E175-N178 VanDerWaalsContact O-N 3.09Å; N178-Y181 WeakPolarHBondContact O-CE1 3.49Å; N178-Y181 PolarHBondContact O-OH 3.35Å
179S84.7Confident86.5Confident48 Ų4888.9 Ų88.934%0.33648%0.476SS..G310 helixtrans-91.1-1178550000114V176 L177 Y181 Y194 L197V176-S179 PolarHBondContact O-OG 3.48Å; L177-S179 PolarHBondContact O-N 3.3Å; L177-S179 VanDerWaalsContact O-N 3.12Å; S179-Y181 WeakPolarHBondContact O-CD2 3.44Å; S179-Y181 VanDerWaalsContact O-CE2 3.23Å; S179-Y181 WeakPolarHBondContact O-CE2 3.45Å; S179-Y194 WeakPolarHBondContact O-CE1 3.44Å; S179-L197 WeakPolarHBondContact OG-CD1 3.31Å
180V87Confident86.5Confident35 Ų3587.8 Ų87.821%0.21248%0.477CS..  trans-91.4115.9-177.7-178.40000109.2L177 Y194 L197L177-V180 HydrophobicContact CD2-CG2 4.17Å; L177-V180 WeakPolarHBondContact O-CB 3.37Å; L177-V180 PolarHBondContact O-N 3.24Å; V180-Y194 HydrophobicContact CB-CD1 4.19Å; V180-Y194 HydrophobicContact CG1-CD1 3.98Å; V180-Y194 HydrophobicContact CG1-CG 4.08Å; V180-Y194 HydrophobicContact CG2-CD1 4.06Å; V180-L197 HydrophobicContact CG2-CB 4.21Å; V180-L197 HydrophobicContact CG2-CD1 3.89Å
181Y80.5Confident86.3Confident145 Ų14590.1 Ų90.157%0.56948%0.484SS*.  trans-129.6137.1175.9-36.3-77.5000109.4N178 S179 Y194N178-Y181 WeakPolarHBondContact O-CE1 3.49Å; N178-Y181 PolarHBondContact O-OH 3.35Å; S179-Y181 WeakPolarHBondContact O-CD2 3.44Å; S179-Y181 VanDerWaalsContact O-CE2 3.23Å; S179-Y181 WeakPolarHBondContact O-CE2 3.45Å; Y181-Y194 VanDerWaalsContact O-CE2 3.31Å; Y181-Y194 WeakPolarHBondContact O-CE2 3.45Å
182T76.8Confident86.2Confident142 Ų14288.6 Ų88.687%0.87148%0.484SS*.  trans-98.1100.7176.154.50000109.6
183T75.2Confident86.2Confident96 Ų9690.8 Ų90.859%0.58949%0.486SS*.  trans-99.9148.2170.3-480000109.5N185 C186T183-N185 PolarHBondContact O-N 2.88Å; T183-C186 WeakPolarHBondContact O-CB 3.46Å; T183-C186 PolarHBondContact O-N 3.31Å
184S75.4Confident86.2Confident115 Ų11593 Ų9380%0.80449%0.494SS*.THydrogen-bonded Turntrans-60.5-27.4179.557.40000113.6
185N77.9Confident86.1Confident138 Ų13895.4 Ų95.474%0.73851%0.509SS*.THydrogen-bonded Turntrans-102.135.2-174.6-57.91.1000111.9T183T183-N185 PolarHBondContact O-N 2.88Å
186C75.8Confident86.2Confident21 Ų2191.9 Ų91.914%0.14250%0.502CS..  trans-77.4122.6-174.1-175.10000111.6T183 D190 K191T183-C186 WeakPolarHBondContact O-CB 3.46Å; T183-C186 PolarHBondContact O-N 3.31Å; C186-D190 WeakPolarHBondContact SG-CB 3.47Å; C186-K191 HydrophobicContact CB-CG 4.45Å; C186-K191 VanDerWaalsContact O-CE 3.26Å; C186-K191 WeakPolarHBondContact O-CE 3.36Å; C186-K191 PolarHBondContact O-NZ 3.1Å
187D86.7Confident86.3Confident108 Ų10891.3 Ų91.358%0.57850%0.498SS*.  trans-65.5159.5178.4-70.8-23.4000111.4L189 D190 K191D187-L189 PolarHBondContact O-N 2.67Å; D187-D190 HydrophobicContact CB-CB 4.5Å; D187-D190 PolarHBondContact O-N 3.47Å; D187-K191 WeakPolarHBondContact O-CG 3.25Å; D187-K191 PolarHBondContact O-N 3.36Å
188E89.5Confident86.4Confident170 Ų17092.6 Ų92.679%0.79450%0.503SS*.Hα-helixtrans-61.6-35.9177.9-170.9174.5-172.800112.1K191 A192E188-K191 PolarHBondContact O-N 3.06Å; E188-A192 WeakPolarHBondContact O-CB 3.5Å; E188-A192 PolarHBondContact O-N 3.46Å
189L88.9Confident86.6Confident144 Ų14489.1 Ų89.175%0.75449%0.494SS*.Hα-helixtrans-64.7-42175-67.4176.2000112.1D187 A192 F193D187-L189 PolarHBondContact O-N 2.67Å; L189-A192 PolarHBondContact O-N 2.92Å; L189-F193 WeakPolarHBondContact O-CB 3.3Å; L189-F193 PolarHBondContact O-N 3.43Å
190D88.8Confident87.1Confident66 Ų6690.1 Ų90.135%0.35350%0.495SS..Hα-helixtrans-64.3-43.9177.2-70.9-26.9000110.8C186 D187 A192 F193 Y194C186-D190 WeakPolarHBondContact SG-CB 3.47Å; D187-D190 HydrophobicContact CB-CB 4.5Å; D187-D190 PolarHBondContact O-N 3.47Å; D190-A192 PolarHBondContact O-N 2.94Å; D190-F193 WeakPolarHBondContact O-CB 3.42Å; D190-F193 PolarHBondContact O-N 3.02Å; D190-Y194 HydrophobicContact CB-CE2 4Å; D190-Y194 WeakPolarHBondContact O-CD2 3.24Å; D190-Y194 VanDerWaalsContact O-CG 3.24Å; D190-Y194 PolarHBondContact O-N 3.34Å
191K88.5Confident87.5Confident116 Ų11691 Ų9150%0.50450%0.495SS..Hα-helixtrans-58.5-47.3174.3-69.5173.1-175.1160.40111.5C186 D187 E188 F193 Y194 L195C186-K191 HydrophobicContact CB-CG 4.45Å; C186-K191 VanDerWaalsContact O-CE 3.26Å; C186-K191 WeakPolarHBondContact O-CE 3.36Å; C186-K191 PolarHBondContact O-NZ 3.1Å; D187-K191 WeakPolarHBondContact O-CG 3.25Å; D187-K191 PolarHBondContact O-N 3.36Å; E188-K191 PolarHBondContact O-N 3.06Å; K191-F193 VanDerWaalsContact C-N 3.32Å; K191-F193 PolarHBondContact O-N 2.99Å; K191-Y194 PolarHBondContact O-N 2.79Å; K191-L195 WeakPolarHBondContact O-CB 3.34Å; K191-L195 VanDerWaalsContact O-CG 3.28Å; K191-L195 WeakPolarHBondContact O-CG 3.44Å; K191-L195 PolarHBondContact O-N 3.26Å
192A91.4Very high88.2Confident57 Ų5787.7 Ų87.747%0.47149%0.487SS..Hα-helixtrans-61.3-41.3178.300000111.8E188 L189 D190 L195 A196E188-A192 WeakPolarHBondContact O-CB 3.5Å; E188-A192 PolarHBondContact O-N 3.46Å; L189-A192 PolarHBondContact O-N 2.92Å; D190-A192 PolarHBondContact O-N 2.94Å; A192-L195 PolarHBondContact O-N 2.93Å; A192-A196 WeakPolarHBondContact O-CB 3.38Å; A192-A196 PolarHBondContact O-N 3.42Å
193F91.1Very high89.1Confident109 Ų10986.9 Ų86.948%0.47847%0.473SS..Hα-helixtrans-62.2-47.2174.9175.1-108.2000112.2L189 D190 K191 L195 A196 L197L189-F193 WeakPolarHBondContact O-CB 3.3Å; L189-F193 PolarHBondContact O-N 3.43Å; D190-F193 WeakPolarHBondContact O-CB 3.42Å; D190-F193 PolarHBondContact O-N 3.02Å; K191-F193 VanDerWaalsContact C-N 3.32Å; K191-F193 PolarHBondContact O-N 2.99Å; F193-L195 PolarHBondContact O-N 3.43Å; F193-A196 WeakPolarHBondContact O-CB 3.42Å; F193-A196 PolarHBondContact O-N 3.23Å; F193-L197 HydrophobicContact CD1-CD1 4.12Å; F193-L197 HydrophobicContact CE1-CD1 3.48Å; F193-L197 VanDerWaalsContact CE1-CD1 3.48Å; F193-L197 HydrophobicContact CE1-CG 4.24Å; F193-L197 HydrophobicContact CE2-CD1 4.3Å; F193-L197 HydrophobicContact CE2-CD2 4.39Å; F193-L197 HydrophobicContact CE2-CG 4.25Å; F193-L197 HydrophobicContact CZ-CD1 3.59Å; F193-L197 HydrophobicContact CZ-CD2 4.26Å; F193-L197 HydrophobicContact CZ-CG 4.03Å; F193-L197 PolarHBondContact O-N 3.26Å
194Y91.9Very high90Very high47 Ų4786.1 Ų86.118%0.18446%0.46CS..Hα-helixtrans-63.7-39.4177.5-62.6-40.5000112.7S179 V180 Y181 D190 K191 A196 L197 M198S179-Y194 WeakPolarHBondContact O-CE1 3.44Å; V180-Y194 HydrophobicContact CB-CD1 4.19Å; V180-Y194 HydrophobicContact CG1-CD1 3.98Å; V180-Y194 HydrophobicContact CG1-CG 4.08Å; V180-Y194 HydrophobicContact CG2-CD1 4.06Å; Y181-Y194 VanDerWaalsContact O-CE2 3.31Å; Y181-Y194 WeakPolarHBondContact O-CE2 3.45Å; D190-Y194 HydrophobicContact CB-CE2 4Å; D190-Y194 WeakPolarHBondContact O-CD2 3.24Å; D190-Y194 VanDerWaalsContact O-CG 3.24Å; D190-Y194 PolarHBondContact O-N 3.34Å; K191-Y194 PolarHBondContact O-N 2.79Å; Y194-A196 VanDerWaalsContact C-N 3.32Å; Y194-A196 PolarHBondContact O-N 3.34Å; Y194-L197 PolarHBondContact O-N 3.22Å; Y194-M198 WeakPolarHBondContact O-CB 3.35Å; Y194-M198 PolarHBondContact O-N 3.15Å
195L92Very high90.9Very high126 Ų12682 Ų8266%0.6643%0.429SS*.Hα-helixtrans-63.8-38.4174.5-72173.1000111.7K191 A192 F193 M198 G199K191-L195 WeakPolarHBondContact O-CB 3.34Å; K191-L195 VanDerWaalsContact O-CG 3.28Å; K191-L195 WeakPolarHBondContact O-CG 3.44Å; K191-L195 PolarHBondContact O-N 3.26Å; A192-L195 PolarHBondContact O-N 2.93Å; F193-L195 PolarHBondContact O-N 3.43Å; L195-M198 PolarHBondContact O-N 2.88Å; L195-G199 PolarHBondContact O-N 3.41Å
196A94.3Very high91.7Very high56 Ų5681.8 Ų81.846%0.46342%0.423SS..Hα-helixtrans-64.3-44.8174.600000111.9A192 F193 Y194 M198 G199 I200A192-A196 WeakPolarHBondContact O-CB 3.38Å; A192-A196 PolarHBondContact O-N 3.42Å; F193-A196 WeakPolarHBondContact O-CB 3.42Å; F193-A196 PolarHBondContact O-N 3.23Å; Y194-A196 VanDerWaalsContact C-N 3.32Å; Y194-A196 PolarHBondContact O-N 3.34Å; A196-M198 VanDerWaalsContact C-N 3.35Å; A196-M198 PolarHBondContact O-N 3.26Å; A196-G199 PolarHBondContact O-N 3.23Å; A196-I200 WeakPolarHBondContact O-CG1 3.43Å; A196-I200 PolarHBondContact O-N 3.35Å
197L94.1Very high92.5Very high23 Ų2384 Ų8412%0.1243%0.431CS..Hα-helixtrans-60.7-43.1174.5-70.3-179.9000112.1V176 S179 V180 F193 Y194 G199 I200 Y201V176-L197 HydrophobicContact CG1-CB 4.25Å; V176-L197 HydrophobicContact CG1-CD2 3.94Å; S179-L197 WeakPolarHBondContact OG-CD1 3.31Å; V180-L197 HydrophobicContact CG2-CB 4.21Å; V180-L197 HydrophobicContact CG2-CD1 3.89Å; F193-L197 HydrophobicContact CD1-CD1 4.12Å; F193-L197 HydrophobicContact CE1-CD1 3.48Å; F193-L197 VanDerWaalsContact CE1-CD1 3.48Å; F193-L197 HydrophobicContact CE1-CG 4.24Å; F193-L197 HydrophobicContact CE2-CD1 4.3Å; F193-L197 HydrophobicContact CE2-CD2 4.39Å; F193-L197 HydrophobicContact CE2-CG 4.25Å; F193-L197 HydrophobicContact CZ-CD1 3.59Å; F193-L197 HydrophobicContact CZ-CD2 4.26Å; F193-L197 HydrophobicContact CZ-CG 4.03Å; F193-L197 PolarHBondContact O-N 3.26Å; Y194-L197 PolarHBondContact O-N 3.22Å; L197-G199 VanDerWaalsContact C-N 3.29Å; L197-G199 PolarHBondContact O-N 3.02Å; L197-I200 PolarHBondContact O-N 2.74Å; L197-Y201 PolarHBondContact O-N 3.29Å
198M93.6Very high92.8Very high71 Ų7180.2 Ų80.235%0.3541%0.409SS..Hα-helixtrans-63.5-37.2175.7-161.566.367.900111.5L177 Y194 L195 A196 Y201 N202L177-M198 HydrophobicContact CD1-SD 4.28Å; L177-M198 HydrophobicContact CD2-CE 3.85Å; L177-M198 HydrophobicContact CD2-SD 3.68Å; Y194-M198 WeakPolarHBondContact O-CB 3.35Å; Y194-M198 PolarHBondContact O-N 3.15Å; L195-M198 PolarHBondContact O-N 2.88Å; A196-M198 VanDerWaalsContact C-N 3.35Å; A196-M198 PolarHBondContact O-N 3.26Å; M198-Y201 PolarHBondContact O-N 3.04Å; M198-Y201 HydrophobicContact SD-CD1 4.2Å; M198-N202 WeakPolarHBondContact O-CB 3.46Å; M198-N202 PolarHBondContact O-N 3.01Å; M198-N202 PolarHBondContact O-ND2 3.28Å
199G95.7Very high92.8Very high39 Ų3977.8 Ų77.840%0.40240%0.397SS..Hα-helixtrans-60.9-45.3173.200000112.7L195 A196 L197 N202 Q203L195-G199 PolarHBondContact O-N 3.41Å; A196-G199 PolarHBondContact O-N 3.23Å; L197-G199 VanDerWaalsContact C-N 3.29Å; L197-G199 PolarHBondContact O-N 3.02Å; G199-N202 PolarHBondContact O-N 3.12Å; G199-Q203 PolarHBondContact O-N 3.38Å
200I94.4Very high93Very high68 Ų6875.1 Ų75.135%0.34938%0.38SS..Hα-helixtrans-61.9-46.6175.1-65.8165.8000110.6V176 A196 L197 N202 Q203 Y204V176-I200 HydrophobicContact CG1-CG2 4.44Å; A196-I200 WeakPolarHBondContact O-CG1 3.43Å; A196-I200 PolarHBondContact O-N 3.35Å; L197-I200 PolarHBondContact O-N 2.74Å; I200-N202 PolarHBondContact O-N 3.14Å; I200-Q203 WeakPolarHBondContact O-CB 3.38Å; I200-Q203 PolarHBondContact O-N 2.9Å; I200-Y204 HydrophobicContact CG2-CD2 4.2Å; I200-Y204 HydrophobicContact CG2-CE1 4.23Å; I200-Y204 HydrophobicContact CG2-CE2 3.61Å; I200-Y204 PolarHBondContact O-N 3.48Å
201Y95.4Very high93.1Very high54 Ų5477 Ų7721%0.21238%0.382CS..Hα-helixtrans-56.8-49175.8170.4-102.8000111.6E174 L177 L197 M198 Q203 Y204 I205E174-Y201 HydrophobicContact CG-CE2 4.2Å; L177-Y201 HydrophobicContact CD1-CD1 3.84Å; L177-Y201 HydrophobicContact CD1-CD2 3.85Å; L177-Y201 HydrophobicContact CD1-CE1 3.95Å; L177-Y201 HydrophobicContact CD1-CE2 3.98Å; L177-Y201 HydrophobicContact CD1-CG 3.77Å; L177-Y201 HydrophobicContact CD2-CD1 4.48Å; L177-Y201 HydrophobicContact CD2-CG 4.09Å; L177-Y201 HydrophobicContact CG-CD1 4.45Å; L177-Y201 HydrophobicContact CG-CD2 4.03Å; L177-Y201 HydrophobicContact CG-CG 3.95Å; L197-Y201 PolarHBondContact O-N 3.29Å; M198-Y201 PolarHBondContact O-N 3.04Å; M198-Y201 HydrophobicContact SD-CD1 4.2Å; Y201-Q203 VanDerWaalsContact C-N 3.29Å; Y201-Q203 PolarHBondContact O-N 2.76Å; Y201-Y204 WeakPolarHBondContact O-CB 3.37Å; Y201-Y204 PolarHBondContact O-N 2.81Å; Y201-Y204 VanDerWaalsContact O-N 3.07Å; Y201-I205 HydrophobicContact CD1-CG1 4.25Å; Y201-I205 HydrophobicContact CD2-CG1 4.18Å; Y201-I205 HydrophobicContact CE1-CG1 3.77Å; Y201-I205 HydrophobicContact CE2-CD1 3.75Å; Y201-I205 HydrophobicContact CE2-CG1 3.68Å; Y201-I205 HydrophobicContact CG-CG1 4.45Å; Y201-I205 VanDerWaalsContact CZ-CG1 3.46Å; Y201-I205 WeakPolarHBondContact O-CG1 3.42Å; Y201-I205 PolarHBondContact O-N 3.41Å
202N94.3Very high93.1Very high76 Ų7672.1 Ų72.141%0.40636%0.361SS..Hα-helixtrans-59.9-39.1178.5-73.6-24.7000112.2M198 G199 I200 I205 Q206M198-N202 WeakPolarHBondContact O-CB 3.46Å; M198-N202 PolarHBondContact O-N 3.01Å; M198-N202 PolarHBondContact O-ND2 3.28Å; G199-N202 PolarHBondContact O-N 3.12Å; I200-N202 PolarHBondContact O-N 3.14Å; N202-I205 PolarHBondContact O-N 3.34Å; N202-Q206 WeakPolarHBondContact O-CB 3.45Å; N202-Q206 VanDerWaalsContact O-CG 3.24Å; N202-Q206 WeakPolarHBondContact O-CG 3.48Å; N202-Q206 PolarHBondContact O-N 3.49Å
203Q96Very high93Very high124 Ų12475.4 Ų75.458%0.57936%0.361SS*.Hα-helixtrans-61.8-42.6174.6-174.7-179-3.400111.7G199 I200 Y201 Q206 E207G199-Q203 PolarHBondContact O-N 3.38Å; I200-Q203 WeakPolarHBondContact O-CB 3.38Å; I200-Q203 PolarHBondContact O-N 2.9Å; Y201-Q203 VanDerWaalsContact C-N 3.29Å; Y201-Q203 PolarHBondContact O-N 2.76Å; Q203-Q206 PolarHBondContact O-N 3.14Å; Q203-E207 WeakPolarHBondContact O-CB 3.45Å; Q203-E207 PolarHBondContact O-N 2.98Å
204Y95Very high92.9Very high80 Ų8073.3 Ų73.331%0.31436%0.355SS..Hα-helixtrans-63.5-42.6175.6-65-21.4000112.5L170 A173 V176 I200 Y201 E207 R208L170-Y204 HydrophobicContact CD1-CD1 3.63Å; L170-Y204 HydrophobicContact CD1-CE1 3.83Å; L170-Y204 HydrophobicContact CD1-CG 4.05Å; A173-Y204 HydrophobicContact CB-CD2 3.75Å; A173-Y204 HydrophobicContact CB-CG 4.18Å; V176-Y204 HydrophobicContact CG2-CD2 4.39Å; V176-Y204 HydrophobicContact CG2-CE2 3.92Å; I200-Y204 HydrophobicContact CG2-CD2 4.2Å; I200-Y204 HydrophobicContact CG2-CE1 4.23Å; I200-Y204 HydrophobicContact CG2-CE2 3.61Å; I200-Y204 PolarHBondContact O-N 3.48Å; Y201-Y204 WeakPolarHBondContact O-CB 3.37Å; Y201-Y204 PolarHBondContact O-N 2.81Å; Y201-Y204 VanDerWaalsContact O-N 3.07Å; Y204-E207 PolarHBondContact O-N 3.2Å; Y204-R208 WeakPolarHBondContact O-CB 3.25Å; Y204-R208 PolarHBondContact O-N 2.92Å
205I93.6Very high92.6Very high30 Ų3071.9 Ų71.915%0.15435%0.353CS..Hα-helixtrans-64.6-41.8176.7-64-55.6000111.4Y201 N202 R208 H209Y201-I205 HydrophobicContact CD1-CG1 4.25Å; Y201-I205 HydrophobicContact CD2-CG1 4.18Å; Y201-I205 HydrophobicContact CE1-CG1 3.77Å; Y201-I205 HydrophobicContact CE2-CD1 3.75Å; Y201-I205 HydrophobicContact CE2-CG1 3.68Å; Y201-I205 HydrophobicContact CG-CG1 4.45Å; Y201-I205 VanDerWaalsContact CZ-CG1 3.46Å; Y201-I205 WeakPolarHBondContact O-CG1 3.42Å; Y201-I205 PolarHBondContact O-N 3.41Å; N202-I205 PolarHBondContact O-N 3.34Å; I205-R208 WeakPolarHBondContact O-CB 3.42Å; I205-R208 PolarHBondContact O-N 3.46Å; I205-H209 VanDerWaalsContact CG2-CD2 3.5Å; I205-H209 WeakPolarHBondContact CG2-CD2 3.41Å; I205-H209 WeakPolarHBondContact CG2-NE2 3.37Å; I205-H209 PolarHBondContact O-CD2 3.36Å; I205-H209 PolarHBondContact O-N 2.96Å
206Q94Very high92.2Very high133 Ų13372.2 Ų72.262%0.62135%0.345SS*.Hα-helixtrans-61-45.5175.7-75.8173.24.400112.2N202 Q203 R208 H209 F210N202-Q206 WeakPolarHBondContact O-CB 3.45Å; N202-Q206 VanDerWaalsContact O-CG 3.24Å; N202-Q206 WeakPolarHBondContact O-CG 3.48Å; N202-Q206 PolarHBondContact O-N 3.49Å; Q203-Q206 PolarHBondContact O-N 3.14Å; Q206-R208 VanDerWaalsContact C-N 3.33Å; Q206-R208 PolarHBondContact O-N 3.31Å; Q206-H209 PolarHBondContact O-N 3.2Å; Q206-F210 WeakPolarHBondContact O-CB 3.47Å; Q206-F210 PolarHBondContact O-N 3.19Å
207E93.3Very high91.8Very high67 Ų6773.1 Ų73.131%0.31335%0.348SS..Hα-helixtrans-64.5-38.3177-179.961.9-162.900111.4Y169 Q203 Y204 F210 R211Y169-E207 HydrophobicContact CD1-CG 3.87Å; Y169-E207 HydrophobicContact CE1-CB 4.25Å; Y169-E207 HydrophobicContact CE1-CG 3.38Å; Q203-E207 WeakPolarHBondContact O-CB 3.45Å; Q203-E207 PolarHBondContact O-N 2.98Å; Y204-E207 PolarHBondContact O-N 3.2Å; E207-F210 WeakPolarHBondContact O-CB 3.36Å; E207-F210 PolarHBondContact O-N 3.45Å; E207-R211 VanDerWaalsContact O-CG 3.31Å; E207-R211 WeakPolarHBondContact O-CG 3.39Å; E207-R211 PolarHBondContact O-N 3.32Å; E207-R211 IonicContact OE1-CZ 3.62Å; E207-R211 IonicContact OE1-NE 3.3Å; E207-R211 PolarHBondContact OE1-NE 3.36Å; E207-R211 IonicContact OE1-NH2 2.72Å; E207-R211 PolarHBondContact OE1-NH2 3.45Å
208R92.7Very high91.3Very high29 Ų2976.4 Ų76.411%0.10936%0.362CS..Hα-helixtrans-61.1-49.8173.6-168.7-172.8-66.5167-4.5111.2E168 Y169 L170 E174 Y204 I205 Q206 F210 R211 H212E168-R208 HydrophobicContact CB-CG 4.46Å; E168-R208 WeakPolarHBondContact OE2-CD 3.41Å; E168-R208 WeakPolarHBondContact OE2-CG 3.46Å; Y169-R208 PolarHBondContact O-NE 2.89Å; L170-R208 PolarHBondContact O-NH2 2.92Å; E174-R208 IonicContact OE1-CZ 2.62Å; E174-R208 VanDerWaalsContact OE1-CZ 3.3Å; E174-R208 IonicContact OE1-NH1 3.06Å; E174-R208 PolarHBondContact OE1-NH1 3.25Å; E174-R208 IonicContact OE1-NH2 2.71Å; E174-R208 PolarHBondContact OE1-NH2 3.46Å; E174-R208 IonicContact OE2-NH2 2.7Å; E174-R208 PolarHBondContact OE2-NH2 3.33Å; Y204-R208 WeakPolarHBondContact O-CB 3.25Å; Y204-R208 PolarHBondContact O-N 2.92Å; I205-R208 WeakPolarHBondContact O-CB 3.42Å; I205-R208 PolarHBondContact O-N 3.46Å; Q206-R208 VanDerWaalsContact C-N 3.33Å; Q206-R208 PolarHBondContact O-N 3.31Å; R208-F210 VanDerWaalsContact C-N 3.31Å; R208-F210 PolarHBondContact O-N 3.45Å; R208-R211 PolarHBondContact O-N 3.37Å; R208-H212 PolarHBondContact O-CD2 3.35Å; R208-H212 VanDerWaalsContact O-CD2 3.23Å; R208-H212 PolarHBondContact O-N 2.77Å
209H89.8Confident90.8Very high118 Ų11876.4 Ų76.455%0.54636%0.364SS..Hα-helixtrans-62-37.6175.3-73.3-58.6000112.8I205 Q206 R211 H212 R213I205-H209 VanDerWaalsContact CG2-CD2 3.5Å; I205-H209 WeakPolarHBondContact CG2-CD2 3.41Å; I205-H209 WeakPolarHBondContact CG2-NE2 3.37Å; I205-H209 PolarHBondContact O-CD2 3.36Å; I205-H209 PolarHBondContact O-N 2.96Å; Q206-H209 PolarHBondContact O-N 3.2Å; H209-R211 VanDerWaalsContact C-N 3.33Å; H209-R211 PolarHBondContact O-N 3.04Å; H209-H212 PolarHBondContact O-N 3.3Å; H209-R213 VanDerWaalsContact O-CB 3.32Å; H209-R213 WeakPolarHBondContact O-CB 3.47Å; H209-R213 PolarHBondContact O-N 3.2Å
210F92.8Very high90.3Very high88 Ų8877.9 Ų77.939%0.38636%0.362SS..Hα-helixtrans-59.2-45.9174.5176-85.2000111.1Q206 E207 R208 R213 L214Q206-F210 WeakPolarHBondContact O-CB 3.47Å; Q206-F210 PolarHBondContact O-N 3.19Å; E207-F210 WeakPolarHBondContact O-CB 3.36Å; E207-F210 PolarHBondContact O-N 3.45Å; R208-F210 VanDerWaalsContact C-N 3.31Å; R208-F210 PolarHBondContact O-N 3.45Å; F210-R213 PolarHBondContact O-N 3.3Å; F210-L214 HydrophobicContact CE1-CD2 4.3Å; F210-L214 WeakPolarHBondContact O-CB 3.32Å; F210-L214 PolarHBondContact O-N 2.89Å
211R91.1Very high89.8Confident106 Ų10675.2 Ų75.240%0.435%0.349SS..Hα-helixtrans-65.3-42.7178.5-71.8169.3-178.7-107.1-6.5112.6Y169 E207 R208 H209 L214 A215Y169-R211 VanDerWaalsContact CD2-CZ 3.41Å; Y169-R211 VanDerWaalsContact CD2-NH1 3.28Å; Y169-R211 VanDerWaalsContact CG-CD 3.43Å; E207-R211 VanDerWaalsContact O-CG 3.31Å; E207-R211 WeakPolarHBondContact O-CG 3.39Å; E207-R211 PolarHBondContact O-N 3.32Å; E207-R211 IonicContact OE1-CZ 3.62Å; E207-R211 IonicContact OE1-NE 3.3Å; E207-R211 PolarHBondContact OE1-NE 3.36Å; E207-R211 IonicContact OE1-NH2 2.72Å; E207-R211 PolarHBondContact OE1-NH2 3.45Å; R208-R211 PolarHBondContact O-N 3.37Å; H209-R211 VanDerWaalsContact C-N 3.33Å; H209-R211 PolarHBondContact O-N 3.04Å; R211-L214 PolarHBondContact O-N 3.08Å; R211-A215 WeakPolarHBondContact O-CB 3.48Å; R211-A215 PolarHBondContact O-N 3.33Å
212H88.8Confident88.9Confident14 Ų1474.9 Ų74.97%0.06535%0.353CS..Hα-helixtrans-58.8-50.1173.3-84.2-65.2000112D163 F165 E168 R208 H209 L214 A215 R216D163-H212 PolarHBondContact O-ND1 3.4Å; F165-H212 AromaticContact CD2-CE1 3.41Å; F165-H212 VanDerWaalsContact CD2-CE1 3.41Å; F165-H212 WeakPolarHBondContact CD2-CE1 3.44Å; F165-H212 AromaticContact CE2-CE1 3.77Å; F165-H212 AromaticContact CE2-ND1 3.93Å; E168-H212 IonicContact OE1-CE1 2.77Å; E168-H212 PolarHBondContact OE1-CE1 2.79Å; E168-H212 VanDerWaalsContact OE1-CE1 3.3Å; E168-H212 IonicContact OE1-NE2 3.3Å; E168-H212 PolarHBondContact OE1-NE2 3.21Å; E168-H212 IonicContact OE2-CD2 2.9Å; E168-H212 IonicContact OE2-CE1 2.95Å; E168-H212 IonicContact OE2-NE2 3.3Å; E168-H212 PolarHBondContact OE2-NE2 2.51Å; R208-H212 PolarHBondContact O-CD2 3.35Å; R208-H212 VanDerWaalsContact O-CD2 3.23Å; R208-H212 PolarHBondContact O-N 2.77Å; H209-H212 PolarHBondContact O-N 3.3Å; H212-L214 VanDerWaalsContact C-N 3.29Å; H212-L214 PolarHBondContact O-N 3.38Å; H212-A215 PolarHBondContact O-N 3.27Å; H212-R216 WeakPolarHBondContact O-CB 3.4Å; H212-R216 PolarHBondContact O-N 2.62Å
213R88.4Confident88.3Confident126 Ų12675.4 Ų75.448%0.47535%0.353SS..Hα-helixtrans-58.1-42.3176.8174.4169.639.872.2-0.8111.8H209 F210 R216 S217H209-R213 VanDerWaalsContact O-CB 3.32Å; H209-R213 WeakPolarHBondContact O-CB 3.47Å; H209-R213 PolarHBondContact O-N 3.2Å; F210-R213 PolarHBondContact O-N 3.3Å; R213-R216 PolarHBondContact O-N 2.7Å; R213-S217 WeakPolarHBondContact O-CB 3.48Å; R213-S217 PolarHBondContact O-N 2.95Å; R213-S217 PolarHBondContact O-OG 3.49Å
214L89.6Confident87.4Confident65 Ų6574.1 Ų74.134%0.3435%0.349SS..Hα-helixtrans-66.9-42.8177.3-170.473.1000112F210 R211 H212 R216 S217 H218F210-L214 HydrophobicContact CE1-CD2 4.3Å; F210-L214 WeakPolarHBondContact O-CB 3.32Å; F210-L214 PolarHBondContact O-N 2.89Å; R211-L214 PolarHBondContact O-N 3.08Å; H212-L214 VanDerWaalsContact C-N 3.29Å; H212-L214 PolarHBondContact O-N 3.38Å; L214-R216 VanDerWaalsContact C-N 3.28Å; L214-R216 PolarHBondContact O-N 3.38Å; L214-S217 PolarHBondContact O-OG 3.25Å; L214-H218 VanDerWaalsContact CD1-CD2 3.43Å; L214-H218 WeakPolarHBondContact CD1-CD2 3Å; L214-H218 PolarHBondContact O-CD2 3.05Å; L214-H218 VanDerWaalsContact O-CD2 3.27Å; L214-H218 PolarHBondContact O-N 3.32Å
215A86.3Confident86.4Confident17 Ų1770.7 Ų70.714%0.1434%0.336CS..Hα-helixtrans-60.8-40.8176.600000111.5R211 H212 N219 L220R211-A215 WeakPolarHBondContact O-CB 3.48Å; R211-A215 PolarHBondContact O-N 3.33Å; H212-A215 PolarHBondContact O-N 3.27Å; A215-N219 CarbonylContact O-C 3.57Å; A215-N219 PolarHBondContact O-N 3.07Å; A215-L220 PolarHBondContact O-N 2.88Å
216R83.5Confident85.6Confident132 Ų13276.1 Ų76.150%0.49836%0.355SS..Hα-helixtrans-68.2-53.3175.7-168.3-169.6-53.5128.53.3112.2D163 H212 R213 L214 H218 N219D163-R216 IonicContact OD2-CZ 3.29Å; D163-R216 IonicContact OD2-NE 3.95Å; D163-R216 PolarHBondContact OD2-NE 3.37Å; D163-R216 IonicContact OD2-NH2 2.76Å; D163-R216 PolarHBondContact OD2-NH2 3.3Å; H212-R216 WeakPolarHBondContact O-CB 3.4Å; H212-R216 PolarHBondContact O-N 2.62Å; R213-R216 PolarHBondContact O-N 2.7Å; L214-R216 VanDerWaalsContact C-N 3.28Å; L214-R216 PolarHBondContact O-N 3.38Å; R216-H218 PolarHBondContact O-N 3.11Å; R216-H218 VanDerWaalsContact O-N 3.1Å; R216-N219 PolarHBondContact O-N 2.71Å; R216-N219 PolarHBondContact O-OD1 3.22Å
217S84.8Confident84.9Confident75 Ų7573.7 Ų73.752%0.52435%0.346SS..Hα-helixtrans-61.4-25.4-174.865.90000113.5R213 L214R213-S217 WeakPolarHBondContact O-CB 3.48Å; R213-S217 PolarHBondContact O-N 2.95Å; R213-S217 PolarHBondContact O-OG 3.49Å; L214-S217 PolarHBondContact O-OG 3.25Å
218H85.1Confident84.2Confident92 Ų9273.3 Ų73.343%0.42635%0.346SS..THydrogen-bonded Turntrans-108.611.6178.1-62.5-70.1000113.5L214 R216 L220L214-H218 VanDerWaalsContact CD1-CD2 3.43Å; L214-H218 WeakPolarHBondContact CD1-CD2 3Å; L214-H218 PolarHBondContact O-CD2 3.05Å; L214-H218 VanDerWaalsContact O-CD2 3.27Å; L214-H218 PolarHBondContact O-N 3.32Å; R216-H218 PolarHBondContact O-N 3.11Å; R216-H218 VanDerWaalsContact O-N 3.1Å; H218-L220 HydrophobicContact CB-CD1 4.46Å; H218-L220 HydrophobicContact CB-CD2 3.69Å; H218-L220 HydrophobicContact CB-CG 3.77Å; H218-L220 PolarHBondContact O-N 3.41Å
219N82.2Confident83.4Confident71 Ų7175.6 Ų75.638%0.3836%0.359SS..THydrogen-bonded Turntrans50.129.1-178.8-70.2-41.5000113.6A215 R216 V221 T222 H223A215-N219 CarbonylContact O-C 3.57Å; A215-N219 PolarHBondContact O-N 3.07Å; R216-N219 PolarHBondContact O-N 2.71Å; R216-N219 PolarHBondContact O-OD1 3.22Å; N219-V221 PolarHBondContact O-N 3.23Å; N219-V221 VanDerWaalsContact O-N 3.11Å; N219-T222 PolarHBondContact O-N 3.29Å; N219-T222 PolarHBondContact O-OG1 2.88Å; N219-H223 PolarHBondContact O-CD2 3.09Å; N219-H223 VanDerWaalsContact O-CD2 3.31Å; N219-H223 PolarHBondContact O-N 3.3Å
220L84.6Confident83.1Confident71 Ų7177.1 Ų77.137%0.37236%0.36SS..Hα-helixtrans-60.1-31.9-168.9-62.7-176.4000111.9A215 H218 T222 H223 L224A215-L220 PolarHBondContact O-N 2.88Å; H218-L220 HydrophobicContact CB-CD1 4.46Å; H218-L220 HydrophobicContact CB-CD2 3.69Å; H218-L220 HydrophobicContact CB-CG 3.77Å; H218-L220 PolarHBondContact O-N 3.41Å; L220-T222 VanDerWaalsContact C-N 3.34Å; L220-T222 PolarHBondContact O-N 2.96Å; L220-H223 PolarHBondContact O-N 3.07Å; L220-L224 VanDerWaalsContact O-CB 3.29Å; L220-L224 WeakPolarHBondContact O-CB 3.5Å; L220-L224 WeakPolarHBondContact O-CG 3.36Å; L220-L224 PolarHBondContact O-N 3.33Å
221V83.5Confident82.5Confident12 Ų1279.6 Ų79.67%0.07337%0.371CS..Hα-helixtrans-57.1-48.7177.9-171.70000110.6L148 L156 Y158 F165 N219 H223 M225L148-V221 HydrophobicContact CD1-CG1 3.8Å; L156-V221 HydrophobicContact CD1-CG1 3.52Å; Y158-V221 HydrophobicContact CD1-CG1 4Å; Y158-V221 HydrophobicContact CE1-CG1 4.23Å; Y158-V221 HydrophobicContact CE2-CG2 4.37Å; Y158-V221 HydrophobicContact CG-CG1 4.13Å; F165-V221 HydrophobicContact CZ-CG2 4.09Å; N219-V221 PolarHBondContact O-N 3.23Å; N219-V221 VanDerWaalsContact O-N 3.11Å; V221-H223 PolarHBondContact O-N 3.35Å; V221-M225 WeakPolarHBondContact O-CG 3.43Å; V221-M225 PolarHBondContact O-N 2.99Å; V221-M225 VanDerWaalsContact O-N 3.1Å
222T78.4Confident81.8Confident47 Ų4778.2 Ų78.229%0.28837%0.369SS..Hα-helixtrans-67.6-36.9178.969.90000112.3N219 L220 M225 R226N219-T222 PolarHBondContact O-N 3.29Å; N219-T222 PolarHBondContact O-OG1 2.88Å; L220-T222 VanDerWaalsContact C-N 3.34Å; L220-T222 PolarHBondContact O-N 2.96Å; T222-M225 WeakPolarHBondContact O-CB 3.37Å; T222-M225 PolarHBondContact O-N 3.46Å; T222-R226 PolarHBondContact O-N 3.37Å; T222-R226 VanDerWaalsContact O-N 3.08Å
223H80.1Confident81.3Confident87 Ų8780 Ų8040%0.40338%0.383SS..Hα-helixtrans-68-46.5177.4-79.1-86.9000112N219 L220 V221 M225 R226 D227N219-H223 PolarHBondContact O-CD2 3.09Å; N219-H223 VanDerWaalsContact O-CD2 3.31Å; N219-H223 PolarHBondContact O-N 3.3Å; L220-H223 PolarHBondContact O-N 3.07Å; V221-H223 PolarHBondContact O-N 3.35Å; H223-M225 PolarHBondContact O-N 2.94Å; H223-R226 PolarHBondContact CE1-NH1 3.18Å; H223-R226 VanDerWaalsContact CE1-NH1 3.32Å; H223-R226 PolarHBondContact ND1-NH1 3.44Å; H223-R226 VanDerWaalsContact ND1-NH1 3.12Å; H223-R226 PolarHBondContact O-N 2.87Å; H223-R226 VanDerWaalsContact O-N 3.16Å; H223-D227 PolarHBondContact O-N 2.98Å; H223-D227 VanDerWaalsContact O-N 3.08Å
224L76.8Confident80.9Confident97 Ų9779.8 Ų79.851%0.50839%0.386SS..Hα-helixtrans-57.8-35.4174.5-70.6171.1000110.6L220 D227 L228L220-L224 VanDerWaalsContact O-CB 3.29Å; L220-L224 WeakPolarHBondContact O-CB 3.5Å; L220-L224 WeakPolarHBondContact O-CG 3.36Å; L220-L224 PolarHBondContact O-N 3.33Å; L224-D227 PolarHBondContact O-N 3.38Å; L224-L228 WeakPolarHBondContact O-CG 3.33Å; L224-L228 PolarHBondContact O-N 3.22Å
225M74Confident80.4Confident7 Ų782.8 Ų82.83%0.03440%0.398CS..Hα-helixtrans-65.1-49.7173.4-71.2-50.286.900113.7L148 H152 L156 V221 T222 H223 D227 L228 I229L148-M225 HydrophobicContact CD2-CB 4.31Å; L148-M225 HydrophobicContact CD2-CG 3.59Å; H152-M225 HydrophobicContact CB-SD 4.14Å; L156-M225 HydrophobicContact CD1-CE 3.3Å; L156-M225 HydrophobicContact CD1-CG 3.77Å; L156-M225 HydrophobicContact CD1-SD 3.37Å; L156-M225 WeakPolarHBondContact CD1-SD 3.4Å; L156-M225 HydrophobicContact CD2-CE 3.08Å; L156-M225 HydrophobicContact CD2-SD 4.22Å; L156-M225 HydrophobicContact CG-CE 3.07Å; L156-M225 HydrophobicContact CG-CG 4.5Å; L156-M225 HydrophobicContact CG-SD 3.5Å; L156-M225 WeakPolarHBondContact CG-SD 3.31Å; V221-M225 WeakPolarHBondContact O-CG 3.43Å; V221-M225 PolarHBondContact O-N 2.99Å; V221-M225 VanDerWaalsContact O-N 3.1Å; T222-M225 WeakPolarHBondContact O-CB 3.37Å; T222-M225 PolarHBondContact O-N 3.46Å; H223-M225 PolarHBondContact O-N 2.94Å; M225-D227 PolarHBondContact O-N 3.26Å; M225-D227 VanDerWaalsContact O-N 3.17Å; M225-L228 HydrophobicContact CE-CB 4.46Å; M225-L228 HydrophobicContact CE-CD1 3.39Å; M225-L228 HydrophobicContact CE-CG 4.05Å; M225-L228 PolarHBondContact O-N 3Å; M225-L228 VanDerWaalsContact O-N 3.11Å; M225-L228 HydrophobicContact SD-CD1 4.39Å; M225-I229 VanDerWaalsContact O-CG1 3.27Å; M225-I229 WeakPolarHBondContact O-CG1 3.35Å; M225-I229 PolarHBondContact O-N 2.97Å
226R77.2Confident79.9Confident144 Ų14488.2 Ų88.254%0.54342%0.418SS..Hα-helixtrans-52.3-40.2175-101.6-174-100.3117.2-1.9111.1T222 H223 R230T222-R226 PolarHBondContact O-N 3.37Å; T222-R226 VanDerWaalsContact O-N 3.08Å; H223-R226 PolarHBondContact CE1-NH1 3.18Å; H223-R226 VanDerWaalsContact CE1-NH1 3.32Å; H223-R226 PolarHBondContact ND1-NH1 3.44Å; H223-R226 VanDerWaalsContact ND1-NH1 3.12Å; H223-R226 PolarHBondContact O-N 2.87Å; H223-R226 VanDerWaalsContact O-N 3.16Å; R226-R230 VanDerWaalsContact O-CB 3.29Å; R226-R230 WeakPolarHBondContact O-CB 3.16Å; R226-R230 PolarHBondContact O-N 3.26Å
227D79.3Confident79.2Confident82 Ų8287.3 Ų87.344%0.43942%0.423SS..Hα-helixtrans-71.7-41.2177.8-77.9-12.8000114H223 L224 M225 R230 K231H223-D227 PolarHBondContact O-N 2.98Å; H223-D227 VanDerWaalsContact O-N 3.08Å; L224-D227 PolarHBondContact O-N 3.38Å; M225-D227 PolarHBondContact O-N 3.26Å; M225-D227 VanDerWaalsContact O-N 3.17Å; D227-R230 PolarHBondContact O-N 3.25Å; D227-K231 WeakPolarHBondContact O-CB 3.27Å; D227-K231 VanDerWaalsContact O-CG 3.3Å; D227-K231 WeakPolarHBondContact O-CG 3.46Å; D227-K231 PolarHBondContact O-N 3.44Å
228L78.2Confident78.4Confident59 Ų5986.4 Ų86.431%0.30942%0.416SS..Hα-helixtrans-63.6-44.3175.7-72.3-171.1000111.5L155 L224 M225 R230 K231 Q232L155-L228 HydrophobicContact CD2-CD1 3.93Å; L155-L228 HydrophobicContact CG-CD1 4.25Å; L224-L228 WeakPolarHBondContact O-CG 3.33Å; L224-L228 PolarHBondContact O-N 3.22Å; M225-L228 HydrophobicContact CE-CB 4.46Å; M225-L228 HydrophobicContact CE-CD1 3.39Å; M225-L228 HydrophobicContact CE-CG 4.05Å; M225-L228 PolarHBondContact O-N 3Å; M225-L228 VanDerWaalsContact O-N 3.11Å; M225-L228 HydrophobicContact SD-CD1 4.39Å; L228-R230 VanDerWaalsContact C-N 3.34Å; L228-R230 PolarHBondContact O-N 3.42Å; L228-K231 PolarHBondContact O-N 3.42Å; L228-Q232 WeakPolarHBondContact O-CG 3.29Å; L228-Q232 PolarHBondContact O-N 3.44Å
229I76.9Confident77.6Confident77 Ų7786.6 Ų86.640%0.39542%0.421SS..Hα-helixtrans-61.7-44.5177-63164.4000109.9M225 K231 Q232 S233M225-I229 VanDerWaalsContact O-CG1 3.27Å; M225-I229 WeakPolarHBondContact O-CG1 3.35Å; M225-I229 PolarHBondContact O-N 2.97Å; I229-K231 VanDerWaalsContact C-N 3.32Å; I229-K231 PolarHBondContact O-N 3.14Å; I229-Q232 PolarHBondContact O-N 3.33Å; I229-S233 PolarHBondContact O-N 3.45Å; I229-S233 PolarHBondContact O-OG 3.38Å
230R82.5Confident76.5Confident150 Ų15092 Ų9257%0.56644%0.437SS*.Hα-helixtrans-63-36.6176.9-170.9178.1-175.2-166.92.7112.5R226 D227 L228 S233 K234R226-R230 VanDerWaalsContact O-CB 3.29Å; R226-R230 WeakPolarHBondContact O-CB 3.16Å; R226-R230 PolarHBondContact O-N 3.26Å; D227-R230 PolarHBondContact O-N 3.25Å; L228-R230 VanDerWaalsContact C-N 3.34Å; L228-R230 PolarHBondContact O-N 3.42Å; R230-S233 PolarHBondContact O-OG 2.83Å; R230-K234 WeakPolarHBondContact O-CB 3.44Å; R230-K234 VanDerWaalsContact O-CG 3.25Å; R230-K234 WeakPolarHBondContact O-CG 3.34Å; R230-K234 PolarHBondContact O-N 3.42Å; R230-K234 VanDerWaalsContact O-N 3.16Å
231K80.1Confident75.5Confident140 Ų14095.3 Ų95.361%0.60945%0.454SS*.Hα-helixtrans-69.4-43175.4-74.9173.1-177.6174.70111.4D227 L228 I229 K234 Q235D227-K231 WeakPolarHBondContact O-CB 3.27Å; D227-K231 VanDerWaalsContact O-CG 3.3Å; D227-K231 WeakPolarHBondContact O-CG 3.46Å; D227-K231 PolarHBondContact O-N 3.44Å; L228-K231 PolarHBondContact O-N 3.42Å; I229-K231 VanDerWaalsContact C-N 3.32Å; I229-K231 PolarHBondContact O-N 3.14Å; K231-K234 PolarHBondContact O-N 3.18Å; K231-Q235 WeakPolarHBondContact O-CB 3.4Å; K231-Q235 PolarHBondContact O-N 2.73Å
232Q78.4Confident74.3Confident78 Ų7899.2 Ų99.236%0.36448%0.481SS..Hα-helixtrans-64.4-41.2176.7-72.6-175.132.100112.5L155 L228 I229 Q235 K236L155-Q232 VanDerWaalsContact CD2-NE2 3.27Å; L228-Q232 WeakPolarHBondContact O-CG 3.29Å; L228-Q232 PolarHBondContact O-N 3.44Å; I229-Q232 PolarHBondContact O-N 3.33Å; Q232-Q235 PolarHBondContact O-N 3.38Å; Q232-K236 WeakPolarHBondContact O-CG 3.3Å; Q232-K236 PolarHBondContact O-N 3.41Å
233S78.3Confident73Confident52 Ų52105.8 Ų105.836%0.36450%0.501SS..Hα-helixtrans-64.2-44.6177.466.70000111.2I229 R230 Q235 K236 L237I229-S233 PolarHBondContact O-N 3.45Å; I229-S233 PolarHBondContact O-OG 3.38Å; R230-S233 PolarHBondContact O-OG 2.83Å; S233-Q235 PolarHBondContact O-N 3.32Å; S233-K236 PolarHBondContact O-N 3.45Å; S233-L237 VanDerWaalsContact O-CD1 3.28Å; S233-L237 WeakPolarHBondContact O-CD1 3.41Å; S233-L237 PolarHBondContact O-N 3.44Å
234K79.2Confident71.6Confident121 Ų121108 Ų10853%0.52652%0.523SS..Hα-helixtrans-58.7-43.6173.6-74.5176.7179.1-175.30112.6R230 K231 L237 S238R230-K234 WeakPolarHBondContact O-CB 3.44Å; R230-K234 VanDerWaalsContact O-CG 3.25Å; R230-K234 WeakPolarHBondContact O-CG 3.34Å; R230-K234 PolarHBondContact O-N 3.42Å; R230-K234 VanDerWaalsContact O-N 3.16Å; K231-K234 PolarHBondContact O-N 3.18Å; K234-L237 PolarHBondContact O-N 2.82Å; K234-S238 PolarHBondContact O-N 3.01Å; K234-S238 PolarHBondContact O-OG 2.89Å
235Q77.9Confident70.5Confident128 Ų128106.4 Ų106.460%0.59853%0.529SS*.Hα-helixtrans-67.2-36.5178.9-165.1173.225.400112.3K231 Q232 S233 S238 N239K231-Q235 WeakPolarHBondContact O-CB 3.4Å; K231-Q235 PolarHBondContact O-N 2.73Å; Q232-Q235 PolarHBondContact O-N 3.38Å; S233-Q235 PolarHBondContact O-N 3.32Å; Q235-S238 PolarHBondContact O-OG 2.8Å; Q235-N239 WeakPolarHBondContact O-CB 3.29Å; Q235-N239 PolarHBondContact O-N 3.02Å; Q235-N239 VanDerWaalsContact O-N 3.13Å; Q235-N239 PolarHBondContact O-ND2 2.93Å; Q235-N239 PolarHBondContact O-OD1 3.19Å
236K75.9Confident69.3Low130 Ų130112.1 Ų112.157%0.56557%0.565SS**Hα-helixtrans-64.8-44.9172.7-74.2174.9-178.1175.20111.3Q232 S233 N239 Y240Q232-K236 WeakPolarHBondContact O-CG 3.3Å; Q232-K236 PolarHBondContact O-N 3.41Å; S233-K236 PolarHBondContact O-N 3.45Å; K236-N239 PolarHBondContact O-N 2.89Å; K236-Y240 WeakPolarHBondContact O-CD2 3.34Å; K236-Y240 PolarHBondContact O-N 2.88Å; K236-Y240 VanDerWaalsContact O-N 3.17Å
237L69.4Low67.8Low114 Ų114112.3 Ų112.360%0.59758%0.575SS**Hα-helixtrans-62.3-44176.8-93.3116.5000112.4S233 K234 N239 Y240 I241S233-L237 VanDerWaalsContact O-CD1 3.28Å; S233-L237 WeakPolarHBondContact O-CD1 3.41Å; S233-L237 PolarHBondContact O-N 3.44Å; K234-L237 PolarHBondContact O-N 2.82Å; L237-N239 VanDerWaalsContact C-N 3.28Å; L237-N239 PolarHBondContact O-N 3.48Å; L237-Y240 PolarHBondContact O-N 3.29Å; L237-I241 WeakPolarHBondContact O-CG1 3.46Å; L237-I241 PolarHBondContact O-N 3.1Å
238S68.8Low66.3Low55 Ų55117.6 Ų117.639%0.38559%0.594SS.*Hα-helixtrans-62.7-36.5176.663.70000112.2K234 Q235 Y240 I241 S242K234-S238 PolarHBondContact O-N 3.01Å; K234-S238 PolarHBondContact O-OG 2.89Å; Q235-S238 PolarHBondContact O-OG 2.8Å; S238-Y240 PolarHBondContact O-N 2.71Å; S238-I241 PolarHBondContact O-N 2.91Å; S238-S242 WeakPolarHBondContact O-CB 3.17Å; S238-S242 PolarHBondContact O-N 3.46Å; S238-S242 VanDerWaalsContact O-N 3.09Å; S238-S242 PolarHBondContact O-OG 3.33Å; S238-S242 VanDerWaalsContact O-OG 3.05Å
239N67.1Low64.6Low97 Ų97125.3 Ų125.352%0.51962%0.619SS.*Hα-helixtrans-68.9-31.3178.2-70.3-10000113.1Q235 K236 L237Q235-N239 WeakPolarHBondContact O-CB 3.29Å; Q235-N239 PolarHBondContact O-N 3.02Å; Q235-N239 VanDerWaalsContact O-N 3.13Å; Q235-N239 PolarHBondContact O-ND2 2.93Å; Q235-N239 PolarHBondContact O-OD1 3.19Å; K236-N239 PolarHBondContact O-N 2.89Å; L237-N239 VanDerWaalsContact C-N 3.28Å; L237-N239 PolarHBondContact O-N 3.48Å
240Y59.9Low62.8Low184 Ų184123.6 Ų123.672%0.72262%0.621SS**Hα-helixtrans-71-40.8174-94.7-83.1000112.3K236 L237 S238 S242 R243K236-Y240 WeakPolarHBondContact O-CD2 3.34Å; K236-Y240 PolarHBondContact O-N 2.88Å; K236-Y240 VanDerWaalsContact O-N 3.17Å; L237-Y240 PolarHBondContact O-N 3.29Å; S238-Y240 PolarHBondContact O-N 2.71Å; Y240-S242 VanDerWaalsContact C-N 3.31Å; Y240-S242 PolarHBondContact O-N 2.86Å; Y240-R243 PolarHBondContact O-N 3Å
241I63.8Low60.6Low141 Ų141122 Ų12272%0.72363%0.631SS**Hα-helixtrans-66.3-37.4178.9-62.3165.9000110.6L237 S238 R243L237-I241 WeakPolarHBondContact O-CG1 3.46Å; L237-I241 PolarHBondContact O-N 3.1Å; S238-I241 PolarHBondContact O-N 2.91Å; I241-R243 VanDerWaalsContact C-N 3.32Å; I241-R243 PolarHBondContact O-N 3.43Å
242S57.2Low58.8Low93 Ų93124.6 Ų124.665%0.6564%0.638SS**THydrogen-bonded Turntrans-80.5-0.6-178.3-58.40000115S238 Y240 P244S238-S242 WeakPolarHBondContact O-CB 3.17Å; S238-S242 PolarHBondContact O-N 3.46Å; S238-S242 VanDerWaalsContact O-N 3.09Å; S238-S242 PolarHBondContact O-OG 3.33Å; S238-S242 VanDerWaalsContact O-OG 3.05Å; Y240-S242 VanDerWaalsContact C-N 3.31Å; Y240-S242 PolarHBondContact O-N 2.86Å; S242-P244 WeakPolarHBondContact O-CD 3.43Å
243R52.6Low57Low186 Ų186126.7 Ų126.770%0.70266%0.657SS**  trans-80.5108174.7-88-175.1171-178.4-1.4110.1Y240 I241 G245Y240-R243 PolarHBondContact O-N 3Å; I241-R243 VanDerWaalsContact C-N 3.32Å; I241-R243 PolarHBondContact O-N 3.43Å; R243-G245 PolarHBondContact O-N 3.2Å
244P50.1Low55.2Low134 Ų134133.3 Ų133.387%0.8768%0.679SS**THydrogen-bonded Turntrans-80.691.6179.132.6-25000107.6S242S242-P244 WeakPolarHBondContact O-CD 3.43Å
245G53.9Low52.9Low62 Ų62139.3 Ų139.364%0.63970%0.698SS**THydrogen-bonded Turntrans-178.2-17.1-17800000115.6R243 I247R243-G245 PolarHBondContact O-N 3.2Å; G245-I247 PolarHBondContact O-N 3.34Å
246V47.5Very low51Low128 Ų128137.5 Ų137.578%0.77670%0.7SS**  trans-78.186.6165.2-171.40000107.1K248V246-K248 VanDerWaalsContact C-N 3.27Å; V246-K248 PolarHBondContact O-N 2.77Å
247I46.7Very low49.2Very low147 Ų147136.5 Ų136.575%0.75471%0.709SS**  trans-52.2101.5161.7-62.7169.9000105.1G245 R249G245-I247 PolarHBondContact O-N 3.34Å; I247-R249 PolarHBondContact O-N 3.3Å
248K47.4Very low47.5Very low193 Ų193140.5 Ų140.584%0.83973%0.725SS**  trans-57.498.9164.5-79.4-177.8176.9178.20104.7V246 G250V246-K248 VanDerWaalsContact C-N 3.27Å; V246-K248 PolarHBondContact O-N 2.77Å; K248-G250 PolarHBondContact O-N 2.9Å
249R43.1Very low45.8Very low221 Ų221141.1 Ų141.183%0.83474%0.74SS**  trans-57.1104160.1-75-174.5-169.5166.13.5103.9I247 C251I247-R249 PolarHBondContact O-N 3.3Å; R249-C251 PolarHBondContact O-N 3.23Å
250G39.7Very low44.2Very low42 Ų42142 Ų14243%0.43375%0.754SS.*  trans-52.8114179.300000106.8K248 Y252K248-G250 PolarHBondContact O-N 2.9Å; G250-Y252 WeakPolarHBondContact O-CD1 3.2Å; G250-Y252 VanDerWaalsContact O-CE1 3.26Å; G250-Y252 WeakPolarHBondContact O-CE1 3.44Å; G250-Y252 PolarHBondContact O-N 3.13Å
251C34.7Very low42.8Very low116 Ų116140.7 Ų140.778%0.78476%0.764SS**  trans-66.694.4164.4-54.70000104.5R249 T253R249-C251 PolarHBondContact O-N 3.23Å; C251-T253 VanDerWaalsContact C-N 3.32Å; C251-T253 PolarHBondContact O-N 3.24Å
252Y42.3Very low41.5Very low194 Ų194139.1 Ų139.176%0.76177%0.765SS**  trans-59.1103.7169.4-15.7-86.8000105.5G250 K254G250-Y252 WeakPolarHBondContact O-CD1 3.2Å; G250-Y252 VanDerWaalsContact O-CE1 3.26Å; G250-Y252 WeakPolarHBondContact O-CE1 3.44Å; G250-Y252 PolarHBondContact O-N 3.13Å; Y252-K254 PolarHBondContact O-N 3.23Å
253T41.9Very low40.3Very low123 Ų123145.7 Ų145.776%0.75578%0.776SS**  trans-68.980.4170.740.80000107C251 R255C251-T253 VanDerWaalsContact C-N 3.32Å; C251-T253 PolarHBondContact O-N 3.24Å; T253-R255 PolarHBondContact O-N 2.91Å
254K40.2Very low39.5Very low191 Ų191144.4 Ų144.483%0.8378%0.781SS**  trans-65.994164.6-76.2-165.6176-174.20107.4Y252 S256Y252-K254 PolarHBondContact O-N 3.23Å; K254-S256 PolarHBondContact O-N 3.32Å
255R31.4Very low38.7Very low246 Ų246147.1 Ų147.193%0.92878%0.779SS**  trans-65.9101.5160.1-76.1179177.4-179.3-1.2107.6T253T253-R255 PolarHBondContact O-N 2.91Å
256S36.7Very low37.7Very low91 Ų91153.8 Ų153.864%0.63679%0.791SS**  trans-157.7104.6151.465.70000107.1K254K254-S256 PolarHBondContact O-N 3.32Å
257S38.5Very low37.1Very low108 Ų108152.8 Ų152.876%0.75579%0.785SS**  87.7101.4104.8-55.60000111.4
258H34.7Very low36.2Very low199 Ų199151.3 Ų151.392%0.92179%0.788SS**  trans8114.6150.9-67.9-90.8000116.8
259G32.8Very low35.4Very low68 Ų68152.4 Ų152.470%0.70179%0.787SS**  trans-179.392.1169.500000112.8
260S32.8Very low34.6Very low116 Ų116153.5 Ų153.581%0.81179%0.791SS**  trans68.9103.9148.2-49.70000119S262S260-S262 PolarHBondContact O-N 3.2Å
261V30.1Very low34.1Very low155 Ų155159.4 Ų159.494%0.93981%0.811SS**  trans-53.7111.8160177.70000109.5
262S36.9Very low33.7Very low108 Ų108159.3 Ų159.376%0.75581%0.811SS**  trans-135.8104.3162.755.80000111.6S260S260-S262 PolarHBondContact O-N 3.2Å
263R33.2Very low32.9Very low232 Ų232160.6 Ų160.688%0.87582%0.816SS**  trans49.5100.6141.8-156.5173.7-81.1165.7-6.5117.5K265R263-K265 PolarHBondContact O-N 3.4Å
264I35Very low32.3Very low158 Ų158160.2 Ų160.281%0.8182%0.819SS**  trans-46.6116.3161.4-64.7158.8000110.2K266I264-K266 HydrophobicContact CG2-CG 4.41Å
265K34Very low31.6Very low191 Ų191158 Ų15883%0.8382%0.816SS**  trans-11499.7166.8-140.6174.8-173.51780108.1R263 V267R263-K265 PolarHBondContact O-N 3.4Å; K265-V267 PolarHBondContact O-N 2.91Å; K265-V267 VanDerWaalsContact O-N 3.13Å
266K33Very low31.4Very low202 Ų202151.8 Ų151.888%0.87881%0.81SS**  trans-60.7108.4170.3-76.5176.2175.6174.90107.9I264I264-K266 HydrophobicContact CG2-CG 4.41Å
267V34Very low31Very low107 Ų107153.9 Ų153.965%0.64882%0.823SS**  trans-116.9107.1166-179.30000107.6K265 R269K265-V267 PolarHBondContact O-N 2.91Å; K265-V267 VanDerWaalsContact O-N 3.13Å; V267-R269 HydrophobicContact CG1-CG 4.46Å; V267-R269 PolarHBondContact O-N 2.84Å; V267-R269 VanDerWaalsContact O-N 3.1Å
268S27.8Very low30.6Very low117 Ų117159.9 Ų159.982%0.81883%0.829SS**  trans-56.8103.3167.852.90000109.8
269R30.6Very low30.3Very low216 Ų216159.9 Ų159.982%0.81583%0.827SS**  trans-103.797.6163.1-79.5-172.6175.7-176.4-1108.6V267 L271V267-R269 HydrophobicContact CG1-CG 4.46Å; V267-R269 PolarHBondContact O-N 2.84Å; V267-R269 VanDerWaalsContact O-N 3.1Å; R269-L271 PolarHBondContact O-N 3.43Å
270R27.4Very low30.1Very low243 Ų243167.2 Ų167.292%0.91783%0.833SS**  trans-45.8117.2153.2-78177.5-174.3171.71.5107.2
271L28.3Very low29.8Very low166 Ų166170.4 Ų170.487%0.86984%0.835SS**  trans-114.2115163-90.3159.2000106.8R269R269-L271 PolarHBondContact O-N 3.43Å
272C26.9Very low29.8Very low115 Ų115168.2 Ų168.278%0.77782%0.822SS**  trans-63.8144.6-170.2-57.60000111.9S274C272-S274 PolarHBondContact O-N 2.99Å
273Y24.2Very low29.3Very low221 Ų221168 Ų16887%0.86783%0.827SS**  trans-51.6127.3157.7-90.2-104.6000109.6
274S30Very low29Very low115 Ų115166.4 Ų166.480%0.80482%0.822SS**  trans-122.6102.2157.460.90000107.6C272C272-S274 PolarHBondContact O-N 2.99Å
275D24.8Very low28.5Very low145 Ų145164 Ų16478%0.77582%0.819SS**  trans-59.2127.5165.2-76-47.7000110.4
276S27.9Very low28.5Very low115 Ų115159.5 Ų159.580%0.80481%0.81SS**  trans156.2105.4132.363.80000109
277C28.1Very low28.2Very low135 Ų135159.2 Ų159.291%0.91281%0.808SS**  trans-137.2117.6154.1-157.40000108.9
278R29.6Very low28Very low233 Ų233162 Ų16288%0.87982%0.819SS**  trans-58.2138.9-167-70.1171.6174.6-176.1-4.1112.2R280R278-R280 PolarHBondContact O-N 3.49Å; R278-R280 VanDerWaalsContact O-N 3.13Å
279K28.9Very low28.2Very low200 Ų200165.7 Ų165.787%0.8782%0.82SS**  trans-44.4113.1160.3-62.7175.6179.4179.10109.1
280R29.1Very low28.1Very low221 Ų221163.2 Ų163.283%0.83482%0.823SS**  trans-11594.1165.4-157179.9-75.1-172.2-2.5106.8R278 T282R278-R280 PolarHBondContact O-N 3.49Å; R278-R280 VanDerWaalsContact O-N 3.13Å; R280-T282 HydrophobicContact CG-CG2 4.3Å; R280-T282 PolarHBondContact O-N 3.2Å; R280-T282 VanDerWaalsContact O-N 3.12Å
281E25.6Very low28.1Very low184 Ų184161.5 Ų161.586%0.8682%0.817SS**  trans-65100.5168.5-69.9172.2172.400107.7
282T30.2Very low28.1Very low108 Ų108159.8 Ų159.866%0.66381%0.813SS**  trans-110.698.9163.655.10000107.4R280 Y284R280-T282 HydrophobicContact CG-CG2 4.3Å; R280-T282 PolarHBondContact O-N 3.2Å; R280-T282 VanDerWaalsContact O-N 3.12Å; T282-Y284 PolarHBondContact O-N 2.98Å
283A26.2Very low28.1Very low104 Ų104163.4 Ų163.486%0.8681%0.812SS**  trans-57.3103.6164.600000108.5
284Y27Very low28.3Very low199 Ų199163.9 Ų163.978%0.7881%0.812SS**  trans-122.896.9171.6-161-93.5000108.9T282 P286T282-Y284 PolarHBondContact O-N 2.98Å; Y284-P286 WeakPolarHBondContact O-CD 3.2Å
285S25.8Very low28Very low106 Ų106166.5 Ų166.574%0.74182%0.815SS**  trans-80.6110.8173.1-41.70000109K287S285-K287 PolarHBondContact O-N 2.92Å
286P32.6Very low28.2Very low97 Ų97163.2 Ų163.263%0.6380%0.803SS**  trans-88.3102.8175.812.56.8000108.2Y284 L288Y284-P286 WeakPolarHBondContact O-CD 3.2Å; P286-L288 PolarHBondContact O-N 3.35Å
287K28.5Very low28.3Very low196 Ų196165.1 Ų165.185%0.85281%0.805SS**  trans-64.898.5160.3-69.9-177.4178.2179.40107.5S285 K289S285-K287 PolarHBondContact O-N 2.92Å; K287-K289 PolarHBondContact O-N 2.95Å
288L29.4Very low28.3Very low166 Ų166168.1 Ų168.187%0.86980%0.802SS**  trans-66.495.6171.5-75.6166.3000108.4P286 N290P286-L288 PolarHBondContact O-N 3.35Å; L288-N290 PolarHBondContact O-N 3.4Å
289K31.5Very low28.2Very low194 Ų194164.6 Ų164.684%0.84380%0.801SS**  trans-71.1121.9166.7-79.3-176.1174.9-178.90108.2K287 R291K287-K289 PolarHBondContact O-N 2.95Å; K289-R291 PolarHBondContact O-N 3.28Å
290N28.1Very low28.1Very low164 Ų164164.7 Ų164.788%0.87780%0.802SS**  trans-40.1101.9168.6-81.3-14.1000111.2L288L288-N290 PolarHBondContact O-N 3.4Å
291R27.4Very low28.1Very low208 Ų208160.9 Ų160.979%0.78580%0.798SS**  trans-110.398.3166.4-145.7176.2-172.8179.80.8106.8K289 Y293K289-R291 PolarHBondContact O-N 3.28Å; R291-Y293 WeakPolarHBondContact O-CD2 3.25Å; R291-Y293 PolarHBondContact O-N 3.49Å
292V27.8Very low28.3Very low130 Ų130157.5 Ų157.579%0.78880%0.795SS**  trans-61.9103.4172.91780000107R294V292-R294 PolarHBondContact O-N 2.94Å
293Y28.1Very low28.1Very low191 Ų191159.9 Ų159.975%0.74980%0.803SS**  trans-71.6111.6169.3-75.2-85000107.4R291 I295R291-Y293 WeakPolarHBondContact O-CD2 3.25Å; R291-Y293 PolarHBondContact O-N 3.49Å; Y293-I295 PolarHBondContact O-N 3.02Å
294R27.1Very low28.2Very low230 Ų230159 Ų15987%0.86880%0.796SS**  trans-66.7115.4162.6-68.9-153.4-160.5-1728.2107.2V292 S296V292-R294 PolarHBondContact O-N 2.94Å; R294-S296 PolarHBondContact O-N 3.32Å
295I25.5Very low28.1Very low171 Ų171158.5 Ų158.588%0.87780%0.803SS**  trans-83.296.7172.3-59167.3000105.4Y293Y293-I295 PolarHBondContact O-N 3.02Å
296S28.9Very low28.2Very low76 Ų76162 Ų16253%0.53181%0.81SS.*  trans-132.4116.9167.751.70000108.1R294R294-S296 PolarHBondContact O-N 3.32Å
297D29.1Very low27.9Very low155 Ų155163.4 Ų163.483%0.82982%0.822SS**  trans65.868.4150.1-43.6-30.8000117.6
298F28.8Very low27.8Very low197 Ų197157 Ų15786%0.86481%0.812SS**  trans-98.197.5157.4-83.1-80.8000109.7F300F298-F300 PolarHBondContact O-N 2.84Å
299N27.4Very low27.5Very low160 Ų160160.9 Ų160.986%0.85682%0.815SS**  trans-71.8114.5177.5-154.8-4.9000109.6N301N299-N301 PolarHBondContact O-N 3.42Å
300F27.1Very low27.3Very low201 Ų201157.7 Ų157.788%0.88281%0.811SS**  trans-74.1103.7174.7-83.9-91.5000109.6F298F298-F300 PolarHBondContact O-N 2.84Å
301N27.5Very low27.3Very low142 Ų142157.2 Ų157.276%0.75981%0.808SS**  trans-154.981.8156.9-137.2-6.2000111.5N299N299-N301 PolarHBondContact O-N 3.42Å
302S31Very low27.2Very low112 Ų112152.2 Ų152.278%0.78381%0.812SS**  trans-146.493.2156.355.70000109.4A304S302-A304 VanDerWaalsContact C-N 3.29Å; S302-A304 PolarHBondContact O-N 3.02Å
303N24.8Very low27.2Very low158 Ų158154.3 Ų154.385%0.84581%0.813SS**  trans-67.689.2163-71.1-30.4000108
304A29Very low27.2Very low85 Ų85151.4 Ų151.470%0.70282%0.815SS**  trans-104.895.8167.300000108.6S302 M306S302-A304 VanDerWaalsContact C-N 3.29Å; S302-A304 PolarHBondContact O-N 3.02Å; A304-M306 PolarHBondContact O-N 3.05Å
305M25.4Very low27.3Very low190 Ų190150 Ų15094%0.93682%0.815SS**  trans-55.5106168.1-72.2174.6136.900109.6
306M27.4Very low27.3Very low178 Ų178149.6 Ų149.688%0.87782%0.815SS**  trans-116.794.6161-77.1-67.5-73.200107A304 G308A304-M306 PolarHBondContact O-N 3.05Å; M306-G308 VanDerWaalsContact C-N 3.35Å; M306-G308 PolarHBondContact O-N 3.42Å
307S25.9Very low27.3Very low128 Ų128154.6 Ų154.690%0.89583%0.83SS**  trans-67.388.1171.956.50000109.7
308G25.9Very low27.2Very low61 Ų61152.6 Ų152.663%0.62983%0.828SS**  trans-99.2105.7164.100000108.8M306 V310M306-G308 VanDerWaalsContact C-N 3.35Å; M306-G308 PolarHBondContact O-N 3.42Å; G308-V310 PolarHBondContact O-N 3.47Å; G308-V310 VanDerWaalsContact O-N 3.1Å
309R23.9Very low27.3Very low248 Ų248150.5 Ų150.594%0.93683%0.825SS**  trans-55.1112.7165.5-82.5-179.9176.8173.2-2.6108.1
310V28.3Very low27.4Very low126 Ų126146.7 Ų146.776%0.76482%0.816SS**  trans-121.9117.71641790000104.6G308 A312G308-V310 PolarHBondContact O-N 3.47Å; G308-V310 VanDerWaalsContact O-N 3.1Å; V310-A312 PolarHBondContact O-N 3.3Å; V310-A312 VanDerWaalsContact O-N 3.07Å
311D26.9Very low27.4Very low154 Ų154144.3 Ų144.382%0.82481%0.812SS**  trans-56.3111.3-174.3-57.7-48.6000109.6E313D311-E313 PolarHBondContact O-N 3.49Å
312A25.9Very low27.6Very low103 Ų103141.3 Ų141.385%0.85180%0.799SS**  trans-98.966.5-179.400000108.7V310V310-A312 PolarHBondContact O-N 3.3Å; V310-A312 VanDerWaalsContact O-N 3.07Å
313E27.3Very low27.7Very low175 Ų175143.6 Ų143.682%0.81880%0.797SS**  trans-129.9130.7164.4-66.3-173.9-175.300105.6D311D311-E313 PolarHBondContact O-N 3.49Å
314V28Very low28.1Very low130 Ų130144.6 Ų144.679%0.78879%0.794SS**SBendtrans88.485.5-169.6-166.30000113.3
315F28.6Very low28.4Very low199 Ų199147.1 Ų147.187%0.87379%0.791SS**  trans174.850.6136-96.9-69.8000111.8Q317F315-Q317 VanDerWaalsContact C-N 3.34Å; F315-Q317 PolarHBondContact O-N 3.37Å
316D27.1Very low28.6Very low164 Ų164144.6 Ų144.688%0.87778%0.78SS**  trans-87.871.1166.4-88.1-22000110.2
317Q28.3Very low28.8Very low180 Ų180143 Ų14384%0.84178%0.775SS**  trans-143.852.8163-71.9-169.8-3.700110.6F315 L319F315-Q317 VanDerWaalsContact C-N 3.34Å; F315-Q317 PolarHBondContact O-N 3.37Å; Q317-L319 PolarHBondContact O-N 3.46Å
318S27.8Very low28.8Very low113 Ų113142.6 Ų142.679%0.7977%0.771SS**  trans-80.591.9154.256.10000107.3A320S318-A320 VanDerWaalsContact C-N 3.34Å; S318-A320 PolarHBondContact O-N 3.22Å
319L30.4Very low28.9Very low153 Ų153143.9 Ų143.980%0.80177%0.77SS**  trans-63.7100.2172.4-14881.3000107.2Q317 L321Q317-L319 PolarHBondContact O-N 3.46Å; L319-L321 PolarHBondContact O-N 3.44Å
320A29Very low29Very low81 Ų81141.4 Ų141.467%0.66976%0.763SS**  trans-54.4131.6173.500000108.3S318 T322S318-A320 VanDerWaalsContact C-N 3.34Å; S318-A320 PolarHBondContact O-N 3.22Å; A320-T322 PolarHBondContact O-N 3.36Å
321L27.7Very low29.1Very low150 Ų150144.9 Ų144.979%0.78577%0.77SS**  trans-50.3100.6179.8-69.1164.4000109.6L319L319-L321 PolarHBondContact O-N 3.44Å
322T30.4Very low29.2Very low79 Ų79142.9 Ų142.949%0.48577%0.768SS.*  trans-78.4147.4176.460.60000109.6A320 K324 H325A320-T322 PolarHBondContact O-N 3.36Å; T322-K324 PolarHBondContact O-N 3.36Å; T322-H325 PolarHBondContact O-N 3.49Å
323Q33Very low29.4Very low161 Ų161143.1 Ų143.175%0.75276%0.755SS**G310 helixtrans-54.4-14.4-176.2-134.9154.2-11.200114.5H325 L326Q323-H325 VanDerWaalsContact C-N 3.28Å; Q323-H325 PolarHBondContact O-N 3.46Å; Q323-L326 PolarHBondContact O-N 3.11Å
324K34.1Very low29.4Very low178 Ų178140.7 Ų140.777%0.77475%0.754SS**G310 helixtrans-66.8-24.6174.8-68.6-174176.9-177.90113.4T322 L326T322-K324 PolarHBondContact O-N 3.36Å; K324-L326 VanDerWaalsContact C-N 3.34Å; K324-L326 PolarHBondContact O-N 3.17Å
325H35.4Very low29.8Very low139 Ų139137.7 Ų137.764%0.64474%0.736SS**G310 helixtrans-75.6-18.1179.3-78.9-74.3000114.5T322 Q323T322-H325 PolarHBondContact O-N 3.49Å; Q323-H325 VanDerWaalsContact C-N 3.28Å; Q323-H325 PolarHBondContact O-N 3.46Å
326L30.1Very low30.4Very low137 Ų137132.8 Ų132.872%0.71772%0.724SS**G310 helixtrans-89.2-13.2-178.2-69.6173000113.9Q323 K324Q323-L326 PolarHBondContact O-N 3.11Å; K324-L326 VanDerWaalsContact C-N 3.34Å; K324-L326 PolarHBondContact O-N 3.17Å
327N30Very low31Very low143 Ų143132.6 Ų132.677%0.76572%0.718SS**SBendtrans-94.10.1-173.8-80.11.2000115.3S329N327-S329 VanDerWaalsContact C-N 3.35Å; N327-S329 PolarHBondContact O-N 3.31Å
328C26.5Very low31.4Very low120 Ų120128.6 Ų128.681%0.81170%0.701SS**SBendtrans-8812.5-178.7-72.30000115.2
329S27.8Very low31.7Very low88 Ų88129.6 Ų129.662%0.61569%0.693SS**SBendtrans-10615.2-170.366.40000117.1N327N327-S329 VanDerWaalsContact C-N 3.35Å; N327-S329 PolarHBondContact O-N 3.31Å
330Y26.7Very low32.1Very low197 Ų197129.5 Ų129.577%0.77369%0.689SS**SBendtrans-123.1-4.1-174.9-95.8-81.1000118.7
331E29.3Very low32.5Very low198 Ų198134.2 Ų134.293%0.92569%0.691SS**SBendtrans-108.38-170.3-69.5-167.6161.700117
332S28.8Very low32.8Very low112 Ų112130.6 Ų130.678%0.78368%0.677SS**  trans-116.348.1-177.261.70000114.3P334S332-P334 WeakPolarHBondContact O-CD 3.34Å
333I30Very low33.4Very low109 Ų109132 Ų13256%0.55968%0.68SS**  trans-101.8108.2169.8-56.8175.3000109T335I333-T335 VanDerWaalsContact C-N 3.29Å; I333-T335 PolarHBondContact O-N 3.08Å; I333-T335 VanDerWaalsContact O-N 3.14Å
334P28.6Very low33.7Very low124 Ų124128.2 Ų128.281%0.80567%0.672SS**  trans-89.248.9-17735.6-33.2000112.8S332S332-P334 WeakPolarHBondContact O-CD 3.34Å
335T37.1Very low33.6Very low67 Ų67128.3 Ų128.341%0.41167%0.667SS.*  trans-133.2104.1179.1-25.60000111.7I333 Q337 I338I333-T335 VanDerWaalsContact C-N 3.29Å; I333-T335 PolarHBondContact O-N 3.08Å; I333-T335 VanDerWaalsContact O-N 3.14Å; T335-Q337 PolarHBondContact O-N 2.78Å; T335-I338 PolarHBondContact O-N 3.31Å
336P40.7Very low33.6Very low95 Ų95128.9 Ų128.962%0.61767%0.67SS**Hα-helixtrans-66.4-20.7-172.722.5-31.3000114.3I338 Q339P336-I338 VanDerWaalsContact C-N 3.29Å; P336-I338 PolarHBondContact O-N 3.28Å; P336-Q339 PolarHBondContact O-N 3.42Å
337Q39.3Very low34Very low160 Ų160127.3 Ų127.375%0.74867%0.666SS**Hα-helixtrans-66.5-28.9-179.9-71.9-177-26.300113.3T335T335-Q337 PolarHBondContact O-N 2.78Å
338I36.3Very low34Very low96 Ų96127.4 Ų127.449%0.49267%0.666SS.*Hα-helixtrans-81.8-28.9179.1-62.7178.2000111.2T335 P336 Q340 Y341 C342T335-I338 PolarHBondContact O-N 3.31Å; P336-I338 VanDerWaalsContact C-N 3.29Å; P336-I338 PolarHBondContact O-N 3.28Å; I338-Q340 PolarHBondContact O-N 3.21Å; I338-Y341 PolarHBondContact O-N 3.06Å; I338-Y341 VanDerWaalsContact O-N 3.14Å; I338-C342 PolarHBondContact O-N 3.11Å; I338-C342 PolarHBondContact O-SG 3.23Å; I338-C342 VanDerWaalsContact O-SG 3.42Å
339Q34.7Very low34.2Very low134 Ų134129 Ų12963%0.62666%0.662SS**Hα-helixtrans-62-41.5175.3-85.9-179.8-33.800112.5P336 Y341 C342 I343P336-Q339 PolarHBondContact O-N 3.42Å; Q339-Y341 VanDerWaalsContact C-N 3.26Å; Q339-Y341 PolarHBondContact O-N 3.49Å; Q339-C342 PolarHBondContact O-N 2.99Å; Q339-I343 VanDerWaalsContact O-CG1 3.31Å; Q339-I343 WeakPolarHBondContact O-CG1 3.34Å; Q339-I343 PolarHBondContact O-N 2.85Å
340Q38.9Very low34.3Very low152 Ų152131.1 Ų131.171%0.7167%0.666SS**Hα-helixtrans-62.3-35.5175.1-101.1-178.6-27.300112.3I338 S344I338-Q340 PolarHBondContact O-N 3.21Å; Q340-S344 PolarHBondContact O-N 3.22Å; Q340-S344 PolarHBondContact O-OG 3.27Å
341Y37.1Very low34.3Very low180 Ų180128.1 Ų128.171%0.70666%0.663SS**Hα-helixtrans-71-40.6178.1-155-91.2000112I338 Q339 S344 R345I338-Y341 PolarHBondContact O-N 3.06Å; I338-Y341 VanDerWaalsContact O-N 3.14Å; Q339-Y341 VanDerWaalsContact C-N 3.26Å; Q339-Y341 PolarHBondContact O-N 3.49Å; Y341-S344 PolarHBondContact O-N 2.88Å; Y341-R345 PolarHBondContact O-N 3.4Å
342C33.8Very low34.2Very low73 Ų73126.1 Ų126.149%0.49366%0.659SS.*Hα-helixtrans-69.7-38.9179.4-68.10000113.1I338 Q339 S344 R345 Q346I338-C342 PolarHBondContact O-N 3.11Å; I338-C342 PolarHBondContact O-SG 3.23Å; I338-C342 VanDerWaalsContact O-SG 3.42Å; Q339-C342 PolarHBondContact O-N 2.99Å; C342-S344 VanDerWaalsContact C-N 3.3Å; C342-S344 PolarHBondContact O-N 3.05Å; C342-R345 PolarHBondContact O-N 2.96Å; C342-Q346 PolarHBondContact O-N 3.45Å
343I42.4Very low34.1Very low108 Ų108128.1 Ų128.155%0.55466%0.661SS**Hα-helixtrans-64.2-38.5176.4-65.4166000110.6Q339 R345 Q346 V347Q339-I343 VanDerWaalsContact O-CG1 3.31Å; Q339-I343 WeakPolarHBondContact O-CG1 3.34Å; Q339-I343 PolarHBondContact O-N 2.85Å; I343-R345 PolarHBondContact O-N 3.22Å; I343-Q346 PolarHBondContact O-N 3.3Å; I343-V347 PolarHBondContact O-N 2.86Å
344S39.1Very low33.9Very low83 Ų83131.8 Ų131.858%0.5867%0.673SS**Hα-helixtrans-64.1-27.9179.4-56.60000112.9Q340 Y341 C342Q340-S344 PolarHBondContact O-N 3.22Å; Q340-S344 PolarHBondContact O-OG 3.27Å; Y341-S344 PolarHBondContact O-N 2.88Å; C342-S344 VanDerWaalsContact C-N 3.3Å; C342-S344 PolarHBondContact O-N 3.05Å
345R32.9Very low33.8Very low179 Ų179132.7 Ų132.768%0.67567%0.671SS**Hα-helixtrans-81.1-33.4179-127-173.2178.3-146.7-2.6113.3Y341 C342 I343 V347 L348Y341-R345 PolarHBondContact O-N 3.4Å; C342-R345 PolarHBondContact O-N 2.96Å; I343-R345 PolarHBondContact O-N 3.22Å; R345-V347 VanDerWaalsContact C-N 3.3Å; R345-V347 PolarHBondContact O-N 3.15Å; R345-L348 PolarHBondContact O-N 3.48Å
346Q35.1Very low33.3Very low152 Ų152134.8 Ų134.871%0.7169%0.688SS**Hα-helixtrans-70.9-24.5176.3-83.9178.5-16.500113.3C342 I343 L348C342-Q346 PolarHBondContact O-N 3.45Å; I343-Q346 PolarHBondContact O-N 3.3Å; Q346-L348 VanDerWaalsContact C-N 3.32Å
347V38Very low32.5Very low104 Ų104135.4 Ų135.463%0.6369%0.694SS**Hα-helixtrans-76.4-20.9175.6178.50000112.2I343 R345I343-V347 PolarHBondContact O-N 2.86Å; R345-V347 VanDerWaalsContact C-N 3.3Å; R345-V347 PolarHBondContact O-N 3.15Å
348L31.9Very low31.6Very low144 Ų144134 Ų13475%0.75470%0.697SS**Hα-helixtrans-86.2-19.3-177.2-162.163000114R345 Q346R345-L348 PolarHBondContact O-N 3.48Å; Q346-L348 VanDerWaalsContact C-N 3.32Å
349E30.2Very low31Very low155 Ų155134.1 Ų134.172%0.72471%0.712SS**G310 helixtrans-86.2-5.3-177.4-75.4-176.4168.100114.6
350N29.6Very low30.4Very low132 Ų132134.6 Ų134.671%0.70672%0.719SS**G310 helixtrans-92.69.7-175-94.17.5000116.7
351N27.3Very low29.6Very low134 Ų134135.3 Ų135.372%0.71773%0.727SS**G310 helixtrans-110.913.3-172.6-75.6-15.2000117
352N27.5Very low28.9Very low156 Ų156133.9 Ų133.983%0.83473%0.732SS**  trans-122.163.1177.1-72.5-18.5000112.5
353N25.8Very low28.4Very low153 Ų153137.9 Ų137.982%0.81875%0.746SS**  trans-122.586.7166.7-80.4-26.3000109.4
354K24.9Very low27.5Very low187 Ų187138.5 Ų138.581%0.81376%0.757SS**  trans-145.2134.6159.9-78.8-164.3177.9176.80110.5
355D27.3Very low26.7Very low143 Ų143138 Ų13877%0.76577%0.765SS**  trans81.199.9157.4-47.1-26.2000118
356S27.2Very low26.3Very low111 Ų111138.2 Ų138.278%0.77678%0.776SS**  164.9118.397.848.60000113.8
357S23.6Very low25.6Very low107 Ų107134.5 Ų134.575%0.74878%0.779SS**  trans45.2102.8141.258.80000121.2
358T21.2Very low25.1Very low132 Ų132137.8 Ų137.881%0.8179%0.787SS**  trans-29.7128.9139.845.40000116
359A22.7Very low24.7Very low97 Ų97139 Ų13980%0.80280%0.795SS**  trans-127.6106.715600000108.8
360N21.3Very low24.3Very low145 Ų145139.8 Ų139.878%0.77580%0.803SS**  trans-74.4124.6175.8-76.4-38.4000110
361L22.1Very low23.9Very low166 Ų166138.3 Ų138.387%0.86981%0.809SS**  trans-113.3103.1163.9-83.8164.6000108.5
362N23.1Very low23.7Very low151 Ų151137.9 Ų137.981%0.80781%0.811SS**  trans-80.4121169.5-74.5-39.5000109
363I24.3Very low23.5Very low156 Ų156136 Ų13680%0.881%0.807SS**  trans-128.2120.5162.6-59.4-179.7000108.6
364P21.7Very low23.3Very low122 Ų122136.1 Ų136.179%0.79281%0.808SS**  trans-90.6146.6178.86.411.9000113.3
365G22.6Very low23.2Very low72 Ų72133.8 Ų133.874%0.74281%0.809SS**  trans97.6105.2147.700000116.9
366M25.7Very low23Very low183 Ų183132.9 Ų132.990%0.90181%0.809SS**  -175.6100.2129.6-100.7-171.178.200108.6
367G20.8Very low22.7Very low75 Ų75136.1 Ų136.177%0.77381%0.809SS**  trans-94.2134163.200000109.4
368Q26.8Very low22.7Very low173 Ų173137.6 Ų137.681%0.80881%0.814SS**  trans-146.4122.6150.7-70.2-163.8200109.4
369N22.5Very low22.7Very low170 Ų170139.6 Ų139.691%0.90981%0.811SS**  trans-67.7134.6177.9-63.1-45.4000111
370L22.5Very low22.7Very low171 Ų171143.2 Ų143.290%0.89582%0.816SS**  trans-124.7121.5162.9-97.5128.6000109.8
371A22Very low22.8Very low101 Ų101142 Ų14284%0.83581%0.814SS**  trans-79.1141.2-167.200000113.2
372V21.9Very low22.8Very low125 Ų125144.6 Ų144.676%0.75881%0.812SS**  trans-83.9128.1175.8176.10000110
373P23.4Very low22.8Very low115 Ų115143.9 Ų143.975%0.74781%0.808SS**  trans-87.8112.2168.929.6-24000110.7
374N21Very low23.1Very low156 Ų156143.1 Ų143.183%0.83481%0.806SS**  trans-68.6121.7166.7-86.8-30000110.1
375V23.1Very low23.1Very low138 Ų138141.7 Ų141.784%0.83680%0.799SS**  trans-119.4121.8163.9-178.10000109.1
376T23.4Very low23Very low125 Ų125149.1 Ų149.177%0.76781%0.805SS**  trans-77.3135.6-168.329.60000112.8
377K21.2Very low22.9Very low179 Ų179148 Ų14878%0.77880%0.802SS**  trans-67.4125.5172.8-68.3175.7176.5177.50110.4F379K377-F379 HydrophobicContact CB-CD2 4.34Å; K377-F379 HydrophobicContact CB-CE2 3.98Å; K377-F379 HydrophobicContact CD-CE2 4.22Å; K377-F379 HydrophobicContact CD-CZ 4.41Å
378T24Very low23Very low138 Ų138150.6 Ų150.685%0.84780%0.802SS**  trans-102.9111.3165.4320000108.9
379F20.4Very low22.9Very low173 Ų173150.7 Ų150.776%0.75980%0.803SS**  trans-84.2118.8170.6-72.2-94.2000108K377K377-F379 HydrophobicContact CB-CD2 4.34Å; K377-F379 HydrophobicContact CB-CE2 3.98Å; K377-F379 HydrophobicContact CD-CE2 4.22Å; K377-F379 HydrophobicContact CD-CZ 4.41Å
380L22.8Very low22.9Very low173 Ų173147.6 Ų147.691%0.90680%0.795SS**  trans-110.4101.4164.2-79.5173.9000108.1
381V22.8Very low23.2Very low119 Ų119145 Ų14572%0.72179%0.789SS**  trans-69.9123.6166.8176.90000107
382R23.8Very low23.2Very low221 Ų221146.1 Ų146.183%0.83479%0.786SS**  trans-129.3100.8169.2-158.2172.7-171152.14.8108D384R382-D384 IonicContact NE-OD2 2.96Å; R382-D384 PolarHBondContact O-N 3.46Å
383D22.8Very low23.4Very low136 Ų136145.5 Ų145.573%0.72779%0.787SS**  trans-69.4116.2167-63.1-46.9000108.1
384D30.3Very low23.5Very low141 Ų141145.5 Ų145.575%0.75479%0.79SS**  trans-139.6115.2159.1-83.2-43.3000108.4R382R382-D384 IonicContact NE-OD2 2.96Å; R382-D384 PolarHBondContact O-N 3.46Å
385S20.9Very low23.9Very low92 Ų92146.5 Ų146.564%0.64379%0.789SS**  trans-85.1159.4-179-58.40000110.8
386W20.5Very low24.3Very low228 Ų228147.1 Ų147.186%0.86479%0.787SS**  trans83.6112164.3-47.796.7000117.7
387L24.5Very low24.6Very low160 Ų160148.8 Ų148.884%0.83879%0.79SS**  -175.5114.399.4-91.7167.1000109.8E389L387-E389 PolarHBondContact O-N 3.13Å
388T22.9Very low25Very low129 Ų129147.1 Ų147.179%0.79179%0.79SS**  trans-70.7110.216543.10000109.3
389E25.4Very low25.4Very low174 Ų174146.1 Ų146.181%0.81379%0.788SS**  trans-98.399.7161-76.5-168.4167.500109.2L387 C391L387-E389 PolarHBondContact O-N 3.13Å; E389-C391 PolarHBondContact O-N 3.08Å
390S22.2Very low25.7Very low106 Ų106141 Ų14174%0.74179%0.785SS**  trans-69.3101.8166.848.90000109.9
391C27.3Very low25.9Very low115 Ų115140.7 Ų140.778%0.77778%0.782SS**  trans-95.795163.1-78.20000109.2E389 S393E389-C391 PolarHBondContact O-N 3.08Å; C391-S393 PolarHBondContact O-N 3.35Å
392T23.9Very low26.1Very low126 Ų126140.6 Ų140.677%0.77379%0.787SS**  trans-70.6107.2164.3480000109.6
393S24.6Very low26.3Very low111 Ų111135.3 Ų135.378%0.77678%0.784SS**  trans-139.485160.4-65.20000109C391 E395C391-S393 PolarHBondContact O-N 3.35Å; S393-E395 PolarHBondContact O-N 3.16Å
394S25.6Very low26.5Very low116 Ų116133.1 Ų133.181%0.81178%0.784SS**  trans-75.1105.4163.6-57.80000108.5
395E29.6Very low26.5Very low176 Ų176135.5 Ų135.582%0.82279%0.791SS**  trans-125.877.5161.7-73.7-170.6177.700108.2S393 L397S393-E395 PolarHBondContact O-N 3.16Å; E395-L397 PolarHBondContact O-N 3.11Å
396I32.1Very low27Very low152 Ų152136.3 Ų136.378%0.77980%0.797SS**  trans-78.5104159.8-64.2170.2000104.9
397L29.3Very low27.4Very low159 Ų159130.6 Ų130.683%0.83279%0.791SS**  trans-93116.7165.4-79.5173.8000108.5E395 S399E395-L397 PolarHBondContact O-N 3.11Å; L397-S399 PolarHBondContact O-N 3.26Å
398D29.9Very low27.5Very low144 Ų144127.8 Ų127.877%0.7779%0.785SS**  trans-49124.8-177-69.6-50.9000114G400D398-G400 PolarHBondContact O-N 3.17Å
399S31Very low27.8Very low117 Ų117128.9 Ų128.982%0.81879%0.786SS**  trans-63.4111.8153.747.90000108.8L397 I401L397-S399 PolarHBondContact O-N 3.26Å; S399-I401 PolarHBondContact O-N 3.1Å
400G27Very low28Very low67 Ų67125.4 Ų125.469%0.69178%0.781SS**  trans-57.5114.3179.100000113.6D398D398-G400 PolarHBondContact O-N 3.17Å
401I28.4Very low28.2Very low165 Ų165127 Ų12785%0.84679%0.787SS**  trans5090.3131.1-2.1178.5000116.9S399S399-I401 PolarHBondContact O-N 3.1Å
402S27Very low28.3Very low117 Ų117127.4 Ų127.482%0.81879%0.786SS**  trans-69130144.8174.30000109A404S402-A404 PolarHBondContact O-N 2.89Å
403S26.8Very low28.4Very low110 Ų110127.2 Ų127.277%0.76979%0.79SS**  trans-58.8115.4178.7-56.10000111.7
404A28.3Very low28.6Very low90 Ų90127.6 Ų127.674%0.74479%0.791SS**  trans-90.9103.4165.300000109S402S402-A404 PolarHBondContact O-N 2.89Å
405E30Very low28.6Very low192 Ų192125.2 Ų125.290%0.89779%0.785SS**  trans-89.993.9159-69.7-171.1169.200107.4
406S29.8Very low28.4Very low109 Ų109124.2 Ų124.276%0.76279%0.785SS**  trans-97.8103.8169.3-60.20000108.2S408S406-S408 PolarHBondContact O-N 3.38Å
407S29.3Very low28.1Very low107 Ų107126.5 Ų126.575%0.74879%0.79SS**  trans-71.3117.6169.7470000109.6N409S407-N409 PolarHBondContact O-N 3.25Å
408S28Very low27.8Very low102 Ų102123.9 Ų123.971%0.71379%0.785SS**  trans-73.3110.3174.648.10000110.6S406 S410S406-S408 PolarHBondContact O-N 3.38Å; S408-S410 PolarHBondContact O-N 3.32Å
409N27.8Very low27.8Very low151 Ų151124.5 Ų124.581%0.80779%0.788SS**  trans-85.698.1166.1-72.1-23.5000109S407S407-N409 PolarHBondContact O-N 3.25Å
410S29.2Very low27.5Very low102 Ų102126.8 Ų126.871%0.71379%0.786SS**  trans-83111.5171.5-46.30000109.4S408 T412S408-S410 PolarHBondContact O-N 3.32Å; S410-T412 PolarHBondContact O-N 3.12Å
411T27.4Very low27.6Very low140 Ų140132.1 Ų132.186%0.85980%0.797SS**  trans-79.4101.217442.40000109.9
412T29.2Very low27.4Very low123 Ų123131 Ų13176%0.75579%0.794SS**  trans-86.7116.1165.541.20000109.3S410 C414S410-T412 PolarHBondContact O-N 3.12Å; T412-C414 PolarHBondContact O-N 3.23Å
413S25.5Very low27.5Very low122 Ų122131 Ų13185%0.85379%0.793SS**  trans-70.3111.2172.861.70000109.7
414C29.6Very low27.4Very low118 Ų118132.8 Ų132.880%0.79779%0.794SS**PPolyproline II helixtrans-87.9119.9169.3-61.60000108.7T412T412-C414 PolarHBondContact O-N 3.23Å
415G26.4Very low27.7Very low66 Ų66134 Ų13468%0.6879%0.794SS**PPolyproline II helixtrans-66.6145.7179.600000113F417G415-F417 PolarHBondContact O-N 2.78Å
416N23.9Very low27.6Very low156 Ų156132.9 Ų132.983%0.83479%0.793SS**PPolyproline II helixtrans-57.2117.7173.6-64.6-32.8000111.3
417F25.6Very low27.3Very low199 Ų199136.6 Ų136.687%0.87380%0.796SS**  trans-112.298.6153.6-84.7-80.4000107.9G415G415-F417 PolarHBondContact O-N 2.78Å
418S23.5Very low27.2Very low104 Ų104136.7 Ų136.773%0.72780%0.796SS**  trans-70.9121.6160.6-52.80000107.3
419D29.7Very low27Very low158 Ų158137.7 Ų137.785%0.84580%0.798SS**  trans-151.7137.2149.2-97.8-30.6000111.5
420Q26Very low27Very low165 Ų165136.9 Ų136.977%0.77179%0.793SS**  trans-82.2126.5-165.5-58.7167.911.900110
421L28.6Very low26.9Very low178 Ų178140 Ų14093%0.93280%0.801SS**  trans-132.2100.6155.4-77.8176.5000109.8
422N23.6Very low27Very low143 Ų143140.8 Ų140.877%0.76580%0.8SS**  trans-66.4126.2166.4-81.6-39.7000110.6
423S29.3Very low26.9Very low115 Ų115143.7 Ų143.780%0.80481%0.805SS**  trans-156.311214658.30000110.2
424N25.6Very low27Very low149 Ų149146.1 Ų146.180%0.79781%0.807SS**  trans-78.6-169.8173.4-62.3-45.8000111
425P34.6Very low26.8Very low115 Ų115145.8 Ų145.875%0.74781%0.806SS**  -128.6152.8-97.735.5-15.3000114.2
426L28Very low26.8Very low168 Ų168148 Ų14888%0.8881%0.811SS**  trans-138.797.8164-74.3170.1000107.7
427K23.3Very low27Very low188 Ų188149.4 Ų149.482%0.81781%0.813SS**  80.9124.383.2-158173.9-169.1178.80113
428S26.3Very low26.8Very low108 Ų108150.5 Ų150.576%0.75581%0.811SS**  trans85.8142.4160.874.40000118.1
429T25Very low26.9Very low123 Ų123151.9 Ų151.976%0.75582%0.815SS**  cis-173.9149.3-21.9-64.60000103
430I27.5Very low26.8Very low135 Ų135151.6 Ų151.669%0.69281%0.812SS**  trans85.680.1160.9-36.3179.2000116L432I430-L432 HydrophobicContact CG2-CD1 4.25Å
431D26.8Very low26.6Very low167 Ų167148.5 Ų148.589%0.89382%0.816SS**  trans-113.9107.7150.8-89-36.5000108.8
432L28.4Very low26.5Very low157 Ų157151 Ų15182%0.82281%0.813SS**  trans-80118.6176-107.7140.9000109.3I430 L434I430-L432 HydrophobicContact CG2-CD1 4.25Å; L432-L434 PolarHBondContact O-N 3.29Å
433Q28.1Very low26.5Very low183 Ų183150 Ų15086%0.85581%0.814SS**  trans-42106.3175.9-63.3-81.9-5800113.7
434L27.1Very low26.4Very low173 Ų173156.1 Ų156.191%0.90682%0.819SS**  trans-96.6101.7160.6-153.577.2000108L432 S436L432-L434 PolarHBondContact O-N 3.29Å; L434-S436 PolarHBondContact O-N 2.88Å; L434-S436 VanDerWaalsContact O-N 3.09Å
435S26.3Very low26.5Very low112 Ų112154.1 Ų154.178%0.78382%0.817SS**  trans-63.2105.8-17954.80000111.3Q437S435-Q437 PolarHBondContact O-N 3.34Å
436S26.4Very low25.9Very low112 Ų112156.5 Ų156.578%0.78382%0.823SS**  trans-74.6100.5171.658.80000110.2L434 R438L434-S436 PolarHBondContact O-N 2.88Å; L434-S436 VanDerWaalsContact O-N 3.09Å; S436-R438 PolarHBondContact O-N 2.98Å; S436-R438 VanDerWaalsContact O-N 3.16Å
437Q26.6Very low26Very low185 Ų185153.7 Ų153.786%0.86482%0.817SS**  trans-77.4100.3175.3-154.8168.618.800109.5S435 V439S435-Q437 PolarHBondContact O-N 3.34Å; Q437-V439 PolarHBondContact O-N 3.34Å
438R23.3Very low26Very low222 Ų222152.9 Ų152.984%0.83882%0.822SS**  trans-71.999.5178.4-178.2-174.4-84.8-179.4-6.5109.7S436 L440S436-R438 PolarHBondContact O-N 2.98Å; S436-R438 VanDerWaalsContact O-N 3.16Å; R438-L440 PolarHBondContact O-N 2.83Å
439V25Very low26.1Very low134 Ų134152.3 Ų152.381%0.81282%0.818SS**  trans-85.5105.9171.3-179.30000108.9Q437 A441Q437-V439 PolarHBondContact O-N 3.34Å; V439-A441 PolarHBondContact O-N 2.97Å
440L26.1Very low26Very low151 Ų151151.4 Ų151.479%0.79182%0.823SS**  trans-70.4111.7174.5-77.7158.8000110R438 R442R438-L440 PolarHBondContact O-N 2.83Å; L440-R442 PolarHBondContact O-N 3.42Å
441A23Very low26Very low101 Ų101150.6 Ų150.684%0.83583%0.828SS**  trans-72.3113.5167.600000109.5V439V439-A441 PolarHBondContact O-N 2.97Å
442R26.1Very low25.9Very low231 Ų231150.3 Ų150.387%0.87283%0.827SS**  trans-91.5131173.8-168.3174.1-175162.81.8109.6L440L440-R442 PolarHBondContact O-N 3.42Å
443P24.9Very low25.7Very low121 Ų121147.5 Ų147.579%0.78683%0.826SS**  trans-75130.6177.2-5.221.4000110.1
444R27.2Very low25.6Very low243 Ų243144.4 Ų144.492%0.91782%0.823SS**  trans-110.3129.8167.5-95.6-177.1169.9150.7-3.2110.1
445S25.9Very low25.4Very low107 Ų107143.7 Ų143.775%0.74882%0.819SS**  trans-63.6152.1-17746.80000114.4
446N23.6Very low25.4Very low166 Ų166143.9 Ų143.989%0.88882%0.815SS**  trans-48.7129.8168.8-55.7-13.8000112.3
447S28.8Very low25.2Very low108 Ų108149.3 Ų149.376%0.75582%0.818SS**  trans-143.210715758.20000108.4S449S447-S449 PolarHBondContact O-N 2.72Å
448D23.3Very low25Very low171 Ų171148 Ų14891%0.91482%0.816SS**  trans-58.7122.8161.7-75.5-44.8000109.4
449S29.3Very low25.1Very low97 Ų97146.7 Ų146.768%0.67882%0.817SS**  trans-149.1108.2154.765.90000109.1S447 C451S447-S449 PolarHBondContact O-N 2.72Å; S449-C451 PolarHBondContact O-N 3.02Å
450A22.4Very low25.1Very low104 Ų104146.4 Ų146.486%0.8682%0.816SS**  trans-53.8119.2164.600000109.7
451C28.2Very low25.1Very low117 Ų117148.2 Ų148.279%0.79182%0.82SS**  trans-124.7122.7166.9-84.30000108.3S449S449-C451 PolarHBondContact O-N 3.02Å
452N24.4Very low25Very low161 Ų161153.9 Ų153.986%0.86182%0.821SS**  trans-59.3143.1-172.6-70.4-43.3000113.1C454N452-C454 PolarHBondContact O-N 3.32Å
453A23.3Very low25Very low98 Ų98148 Ų14881%0.8181%0.813SS**  trans-65.798.5174.800000111.5
454C26.4Very low24.9Very low118 Ų118148.1 Ų148.180%0.79781%0.807SS**  trans-90.1105.9158.5-94.80000108.8N452 V456N452-C454 PolarHBondContact O-N 3.32Å; C454-V456 PolarHBondContact O-N 3.21Å
455I23.4Very low24.8Very low158 Ų158148.2 Ų148.281%0.8181%0.808SS**  trans-65.797.2171.7-62.6169.8000108.1R457I455-R457 PolarHBondContact O-N 3.42Å
456V25Very low24.9Very low117 Ų117149 Ų14971%0.70980%0.803SS**  trans-87.9100.8169.3179.30000108.1C454 L458C454-V456 PolarHBondContact O-N 3.21Å; V456-L458 PolarHBondContact O-N 3.13Å; V456-L458 VanDerWaalsContact O-N 3.14Å
457R22.6Very low24.9Very low226 Ų226144.9 Ų144.985%0.85380%0.8SS**  trans-59.8104.4168.8-115.8175.4175.4141.1-2.6109.2I455 K459I455-R457 PolarHBondContact O-N 3.42Å; R457-K459 PolarHBondContact O-N 3.12Å
458L23.7Very low24.8Very low157 Ų157148 Ų14882%0.82280%0.803SS**  trans-85.4102167.1-74.8165.2000108.8V456 T460V456-L458 PolarHBondContact O-N 3.13Å; V456-L458 VanDerWaalsContact O-N 3.14Å; L458-T460 PolarHBondContact O-N 2.89Å
459K23.8Very low24.8Very low195 Ų195146 Ų14685%0.84880%0.798SS**  trans-75.1104.3165.4-81.9178.3173.1178.10108.1R457 Q461R457-K459 PolarHBondContact O-N 3.12Å; K459-Q461 PolarHBondContact O-N 3.03Å
460T25.6Very low24.5Very low128 Ų128149.1 Ų149.179%0.78581%0.806SS**  trans-77.7102.2164.738.50000109L458L458-T460 PolarHBondContact O-N 2.89Å
461Q25.5Very low24.6Very low189 Ų189149.8 Ų149.888%0.88380%0.801SS**PPolyproline II helixtrans-73.7126.5170.3-112.2170.6-14.200109.3K459K459-Q461 PolarHBondContact O-N 3.03Å
462Y21Very low24.4Very low219 Ų219149.1 Ų149.186%0.85980%0.798SS**PPolyproline II helixtrans-70.6136.1169.6-82.2-93.6000110N464Y462-N464 PolarHBondContact O-N 3.39Å
463P26.8Very low24.6Very low108 Ų108149.1 Ų149.170%0.70180%0.798SS**PPolyproline II helixtrans-74.1123-178.627.2-31000111.6
464N23.5Very low24.6Very low124 Ų124155.9 Ų155.966%0.66380%0.802SS**PPolyproline II helixtrans-74.5127.4172.4-171.633.1000109.6Y462 D466Y462-N464 PolarHBondContact O-N 3.39Å; N464-D466 PolarHBondContact ND2-OD1 3.36Å; N464-D466 PolarHBondContact ND2-OD2 3.41Å; N464-D466 PolarHBondContact O-N 3.03Å
465W24.2Very low24.8Very low244 Ų244158.1 Ų158.192%0.92481%0.806SS**  trans-8793.3173.5-8168.5000108.6
466D27.7Very low24.8Very low123 Ų123156.4 Ų156.466%0.65880%0.803SS**  trans-82.9121.5169.1-72.9-39.6000109.8N464 Q468N464-D466 PolarHBondContact ND2-OD1 3.36Å; N464-D466 PolarHBondContact ND2-OD2 3.41Å; N464-D466 PolarHBondContact O-N 3.03Å; D466-Q468 PolarHBondContact O-N 3.47Å
467G23Very low24.9Very low80 Ų80158.6 Ų158.683%0.82581%0.81SS**  trans-70117175.900000111.5
468Q26.8Very low25Very low174 Ų174152.8 Ų152.881%0.81381%0.805SS**  trans-121.1104.8168.3-69.9-173.916.800110.1D466D466-Q468 PolarHBondContact O-N 3.47Å
469T24.8Very low24.9Very low130 Ų130149.7 Ų149.780%0.79880%0.802SS**  trans11125.2147.252.80000119.2
470L21.3Very low25.1Very low162 Ų162149.8 Ų149.885%0.84880%0.802SS**  trans-48.6137.3164.6-80.589.7000113.4
471P26.2Very low25.1Very low118 Ų118148.2 Ų148.277%0.76680%0.796SS**  trans-101.2109.9150.223.8-7.9000109.8N473P471-N473 PolarHBondContact O-N 3.28Å
472S22.9Very low25.1Very low103 Ų103147.9 Ų147.972%0.7280%0.795SS**  trans-61.6116.1165.6-61.50000110
473N28.8Very low25.3Very low161 Ų161145 Ų14586%0.86179%0.793SS**  trans-139.1119.1158.4-97.1-26.5000111.3P471P471-N473 PolarHBondContact O-N 3.28Å
474R23.5Very low25.2Very low239 Ų239143.9 Ų143.990%0.90279%0.792SS**  trans-62.2126.1178-63.8171.4-162.5-151.7-0.6109.5
475L29.8Very low25.3Very low166 Ų166143.3 Ų143.387%0.86980%0.798SS**  trans-126.6106.8151.3-75.6173000107.9
476T23.4Very low25.5Very low122 Ų122138.5 Ų138.575%0.74880%0.795SS**  trans-57124.7163.246.20000108.9
477N27.1Very low25.5Very low162 Ų162140.5 Ų140.587%0.86680%0.801SS**  trans-150.5132.1148.9-89.3-31000109.8
478S25.6Very low25.6Very low105 Ų105143.7 Ų143.773%0.73480%0.799SS**  trans-66.8143.7-171.444.80000114
479A22Very low25.7Very low92 Ų92142 Ų14276%0.7680%0.8SS**  trans-5.1118.4152.100000117.8
480F27Very low25.6Very low197 Ų197143.9 Ų143.986%0.86480%0.804SS**  trans-144.2117.5143.5-98-81000109.8
481S26.7Very low25.8Very low94 Ų94139 Ų13966%0.65779%0.792SS**  trans30.5109.5143.652.10000118.9
482E24.2Very low25.7Very low182 Ų182138.9 Ų138.985%0.8579%0.793SS**  61.1103.390.4-100.4-177.5-177.600114.6
483I27Very low25.8Very low159 Ų159141.7 Ų141.782%0.81580%0.799SS**  160.5117.5119.2-78154.3000111.2
484A24.6Very low25.6Very low84 Ų84143.5 Ų143.569%0.69480%0.8SS**  trans48.297.315000000120.4V486A484-V486 PolarHBondContact O-N 2.9Å
485S25.1Very low25.9Very low112 Ų112138.9 Ų138.978%0.78379%0.788SS**  trans-65.8111.5155.150.20000111.5Q487S485-Q487 PolarHBondContact O-N 2.91Å
486V27.9Very low25.6Very low143 Ų143136.3 Ų136.387%0.86778%0.784SS**  trans-82.8108.2163.8178.70000107.7A484A484-V486 PolarHBondContact O-N 2.9Å
487Q27.6Very low25.8Very low166 Ų166135.1 Ų135.178%0.77679%0.787SS**  trans-66.6135.8175.5-77.3169.6-40.100111.6S485S485-Q487 PolarHBondContact O-N 2.91Å
488N25.4Very low25.8Very low146 Ų146135.9 Ų135.978%0.78179%0.785SS**  trans4.2111.7147.6-74.8-19.3000117.2
489V27.9Very low25.8Very low140 Ų140138.8 Ų138.885%0.84879%0.787SS**  trans-116.980.4151.5-175.80000107.5
490I24.1Very low26.1Very low169 Ų169140.1 Ų140.187%0.86779%0.785SS**  trans-95.385.9156.4-61.8175.9000104.4
491G24.6Very low26.1Very low59 Ų59139.3 Ų139.361%0.60878%0.781SS**  trans-124.9110.9-179.200000109.9
492C24Very low26Very low116 Ų116140 Ų14078%0.78478%0.782SS**  trans-15.5130.1171.1-700000118.6
493L25Very low26.2Very low161 Ų161141.9 Ų141.984%0.84378%0.781SS**  trans-132.567.1147.5-94.9158.2000108.5Q495L493-Q495 HydrophobicContact CD2-CG 4.46Å; L493-Q495 PolarHBondContact O-N 3.23Å
494F26Very low26.1Very low199 Ų199142.5 Ų142.587%0.87379%0.785SS**  trans-80.797.8154.8-85.5-81.7000106.5S496F494-S496 PolarHBondContact O-N 3.08Å
495Q28.2Very low26.2Very low143 Ų143147 Ų14767%0.66879%0.79SS**  trans-68.7122.3166.8-80.4179.2-62.600108.2L493 A497L493-Q495 HydrophobicContact CD2-CG 4.46Å; L493-Q495 PolarHBondContact O-N 3.23Å; Q495-A497 PolarHBondContact O-N 2.91Å; Q495-A497 VanDerWaalsContact O-N 3.11Å
496S24.4Very low26.2Very low111 Ų111145.5 Ų145.578%0.77678%0.784SS**  trans-50.4113.9161.749.80000108.7F494 E498F494-S496 PolarHBondContact O-N 3.08Å; S496-E498 PolarHBondContact O-N 2.7Å; S496-E498 VanDerWaalsContact O-N 3.14Å
497A26.4Very low26.2Very low97 Ų97144.9 Ų144.980%0.80278%0.782SS**  trans-61.5115.2165.600000107.1Q495 E499Q495-A497 PolarHBondContact O-N 2.91Å; Q495-A497 VanDerWaalsContact O-N 3.11Å; A497-E499 PolarHBondContact O-N 3.01Å; A497-E499 VanDerWaalsContact O-N 3.17Å
498E28Very low26.3Very low179 Ų179145.4 Ų145.484%0.83679%0.785SS**  trans-53.8121.8167.3-93.7177.1143.500108.2S496 V500S496-E498 PolarHBondContact O-N 2.7Å; S496-E498 VanDerWaalsContact O-N 3.14Å; E498-V500 VanDerWaalsContact C-N 3.27Å; E498-V500 PolarHBondContact O-N 3.13Å
499E25.4Very low26.4Very low166 Ų166141.6 Ų141.678%0.77678%0.78SS**  trans-64.687.9177.8-167.6-178.1-159.800108.7A497 K501A497-E499 PolarHBondContact O-N 3.01Å; A497-E499 VanDerWaalsContact O-N 3.17Å; E499-K501 VanDerWaalsContact C-N 3.32Å; E499-K501 PolarHBondContact O-N 3.37Å
500V28.1Very low26.7Very low119 Ų119146.7 Ų146.772%0.72178%0.784SS**  trans-66.798.4170.2178.90000106.6E498 T502E498-V500 VanDerWaalsContact C-N 3.27Å; E498-V500 PolarHBondContact O-N 3.13Å; V500-T502 PolarHBondContact O-N 2.98Å; V500-T502 PolarHBondContact O-OG1 3.15Å
501K26.7Very low27Very low180 Ų180150 Ų15078%0.78379%0.786SS**  trans-62.874.2170.5-74.1178.3178.5172.20109.9E499 R503E499-K501 VanDerWaalsContact C-N 3.32Å; E499-K501 PolarHBondContact O-N 3.37Å; K501-R503 PolarHBondContact O-N 3.22Å
502T25.8Very low27.3Very low109 Ų109159 Ų15967%0.66980%0.801SS**  trans-72.5111.3165.2-33.30000105.5V500 L504V500-T502 PolarHBondContact O-N 2.98Å; V500-T502 PolarHBondContact O-OG1 3.15Å; T502-L504 VanDerWaalsContact C-N 3.34Å; T502-L504 PolarHBondContact O-N 3.04Å
503R27.1Very low27.5Very low222 Ų222157 Ų15784%0.83880%0.8SS**  trans-60.1100174.3-73.3-173.9177.3-175.20.1107.5K501 F505K501-R503 PolarHBondContact O-N 3.22Å; R503-F505 PolarHBondContact O-N 3.17Å
504L24.9Very low27.6Very low171 Ų171161.1 Ų161.190%0.89581%0.805SS**  trans-61.1101.7171.2-73.4166.7000107.2T502 A506T502-L504 VanDerWaalsContact C-N 3.34Å; T502-L504 PolarHBondContact O-N 3.04Å; L504-A506 PolarHBondContact O-N 3.23Å
505F27.8Very low27.7Very low180 Ų180159.9 Ų159.979%0.78981%0.806SS**  trans-64.2119.4164-80.7-85000106.6R503R503-F505 PolarHBondContact O-N 3.17Å
506A25.5Very low27.7Very low80 Ų80157.7 Ų157.766%0.66181%0.813SS**  trans-52131.9169.400000108.3L504 Q508L504-A506 PolarHBondContact O-N 3.23Å; A506-Q508 PolarHBondContact O-N 3.38Å
507P27.5Very low27.9Very low129 Ų129162.9 Ų162.984%0.83882%0.815SS**  trans-55.8112.6-176.819.3-30000108.7G509P507-G509 PolarHBondContact O-N 2.92Å; P507-G509 VanDerWaalsContact O-N 3.1Å
508Q30Very low27.9Very low178 Ų178168.3 Ų168.383%0.83282%0.821SS**  trans-63.2119.1176.6-70.5-148.74.200107.5A506 R510A506-Q508 PolarHBondContact O-N 3.38Å; Q508-R510 PolarHBondContact O-N 3.47Å
509G28.1Very low28Very low66 Ų66168.6 Ų168.668%0.6882%0.82SS**  trans-45.7130.6-174.500000112.3P507 R511P507-G509 PolarHBondContact O-N 2.92Å; P507-G509 VanDerWaalsContact O-N 3.1Å; G509-R511 PolarHBondContact O-N 2.81Å
510R33.4Very low28.1Very low247 Ų247170.2 Ų170.293%0.93282%0.824SS**  trans-41.9101.3179-64.7179.4-175.1173.81.2110.6Q508 R512Q508-R510 PolarHBondContact O-N 3.47Å; R510-R512 PolarHBondContact O-N 3.45Å
511R30.8Very low27.9Very low237 Ų237171.1 Ų171.189%0.89483%0.83SS**  trans-70.7102.3165.2-78.8-171.3178.7-173.32.4106.5G509 G513G509-R511 PolarHBondContact O-N 2.81Å; R511-G513 PolarHBondContact O-N 2.85Å
512R29.5Very low27.8Very low249 Ų249170.8 Ų170.894%0.9483%0.833SS**  trans-54.6104.9163.5-75.6-175.7-179.7-177.80.7107.4R510 R514R510-R512 PolarHBondContact O-N 3.45Å; R512-R514 PolarHBondContact O-N 3.32Å
513G29.1Very low27.6Very low74 Ų74170.8 Ų170.876%0.76384%0.838SS**  trans-57.1122.4179.700000110.1R511R511-G513 PolarHBondContact O-N 2.85Å
514R27Very low27.6Very low247 Ų247165.8 Ų165.893%0.93284%0.836SS**  trans-69.9127.1163.2-102.8-175.6178.7-152.80.1107.4R512 A516R512-R514 PolarHBondContact O-N 3.32Å; R514-A516 PolarHBondContact O-N 2.97Å; R514-A516 VanDerWaalsContact O-N 3.15Å
515L27.8Very low27.4Very low174 Ų174165.5 Ų165.591%0.91183%0.834SS**  trans-43.6119.2169.2-76.6160.2000110.7R517L515-R517 PolarHBondContact O-N 3.14Å
516A29.5Very low27.3Very low97 Ų97161.6 Ų161.680%0.80283%0.829SS**  trans-61.5121.8176.400000109.7R514 K518R514-A516 PolarHBondContact O-N 2.97Å; R514-A516 VanDerWaalsContact O-N 3.15Å; A516-K518 PolarHBondContact O-N 3.45Å
517R28.6Very low27.2Very low219 Ų219166.3 Ų166.383%0.82684%0.837SS**  trans-64.2119169.4-97.5-179.3173.9177.3-2.7108.2L515 F519L515-R517 PolarHBondContact O-N 3.14Å; R517-F519 HydrophobicContact CB-CE2 4.41Å; R517-F519 WeakPolarHBondContact O-CD2 3.33Å; R517-F519 PolarHBondContact O-N 3.35Å
518K26.2Very low27.1Very low211 Ų211167.6 Ų167.692%0.91784%0.837SS**  trans-53.998.9171.9-62.3-177.7178.5-175.70109.8A516A516-K518 PolarHBondContact O-N 3.45Å
519F29.6Very low26.9Very low185 Ų185167.7 Ų167.781%0.81184%0.838SS**PPolyproline II helixtrans-84.8124.9163.6-78.1-79.6000108.1R517 T521R517-F519 HydrophobicContact CB-CE2 4.41Å; R517-F519 WeakPolarHBondContact O-CD2 3.33Å; R517-F519 PolarHBondContact O-N 3.35Å; F519-T521 PolarHBondContact O-N 2.99Å
520K26.8Very low26.6Very low201 Ų201169.7 Ų169.787%0.87484%0.841SS**PPolyproline II helixtrans-56.9124.5171.5-89.3178.1170.6-179.50108.9M522K520-M522 PolarHBondContact O-N 3.41Å
521T23.6Very low26.3Very low138 Ų138164 Ų16485%0.84783%0.834SS**PPolyproline II helixtrans-55.1118.7168.733.60000110.1F519F519-T521 PolarHBondContact O-N 2.99Å
522M25.2Very low25.8Very low172 Ų172161 Ų16185%0.84783%0.83SS**  trans-105.2110.4158.6-74.7-63.9-6700106.8K520 C524K520-M522 PolarHBondContact O-N 3.41Å; M522-C524 PolarHBondContact O-N 2.85Å
523S22.1Very low25.6Very low110 Ų110157.6 Ų157.677%0.76983%0.825SS**  trans-68.6114.2173.949.60000110.1
524C26.4Very low25.3Very low117 Ų117162 Ų16279%0.79183%0.826SS**  trans-121.2101.2159.933.30000108.3M522 S526M522-C524 PolarHBondContact O-N 2.85Å; C524-S526 PolarHBondContact O-N 3.5Å
525L21.4Very low25.2Very low164 Ų164157.2 Ų157.286%0.85982%0.819SS**  trans-62.5120.6160.6-81113.3000108.1
526S25.5Very low24.8Very low98 Ų98157.5 Ų157.569%0.68582%0.815SS**  trans-135.6103.1157.661.10000108.5C524 N528C524-S526 PolarHBondContact O-N 3.5Å; S526-N528 PolarHBondContact O-N 3.2Å
527H23.3Very low24.5Very low180 Ų180161.3 Ų161.383%0.83382%0.816SS**  trans-50.1123.2156.4-88.8-75.3000108.7
528N26.5Very low24.3Very low156 Ų156157 Ų15783%0.83482%0.815SS**  trans-139.9132.1155.2-88.9-35.4000109.4S526S526-N528 PolarHBondContact O-N 3.2Å
529Q24.6Very low23.9Very low180 Ų180156.9 Ų156.984%0.84182%0.815SS**  trans-73.6150.8-164.5-70.9162.9-19.400112
530S21.9Very low23.6Very low108 Ų108156.5 Ų156.576%0.75582%0.82SS**  trans-49.7128.7166.749.10000112.8
531T26.5Very low23.3Very low128 Ų128156.1 Ų156.179%0.78582%0.818SS**  trans-125.4105.8154.951.90000108.3Q533T531-Q533 PolarHBondContact O-N 2.78Å
532E21.1Very low23.1Very low174 Ų174156.1 Ų156.181%0.81382%0.822SS**  trans-59.6122.9166.8-63.9172.5151.700109.1
533Q25.2Very low22.9Very low177 Ų177152.6 Ų152.683%0.82781%0.814SS**  trans-127.699.5161.1-75.6-170-11.400108.2T531 N535T531-Q533 PolarHBondContact O-N 2.78Å; Q533-N535 PolarHBondContact O-N 3.44Å
534Q22.4Very low22.8Very low166 Ų166154.9 Ų154.978%0.77682%0.817SS**  trans-66118.4167.6-64172.6-14.100107.9
535N24Very low22.6Very low147 Ų147154.7 Ų154.779%0.78682%0.816SS**  trans-118.692.6164.7-95.1-21.5000107.9Q533 Q537Q533-N535 PolarHBondContact O-N 3.44Å; N535-Q537 PolarHBondContact O-N 3.27Å
536E20.9Very low22.5Very low179 Ų179154.7 Ų154.784%0.83682%0.817SS**  trans-71.3112.9164.5-63.3-177.7155.900107.9
537Q23.5Very low22.4Very low177 Ų177154.8 Ų154.883%0.82782%0.818SS**  trans-110.2119.1165.3-83.4-172.9-5.900110N535N535-Q537 PolarHBondContact O-N 3.27Å
538T22.6Very low22.4Very low129 Ų129155 Ų15579%0.79182%0.819SS**  trans-62.3134.6-171.442.90000114
539F18.8Very low22.2Very low209 Ų209155.3 Ų155.392%0.91782%0.821SS**  trans-63.2123.9169.9-76-98.6000111.9
540L22.5Very low22.2Very low176 Ų176153 Ų15392%0.92182%0.819SS**  trans-98.2112.6161.3-77.8170.1000109.5
541K20.9Very low22.2Very low194 Ų194154.6 Ų154.684%0.84382%0.819SS**  trans-88.7104.6-178.7-171.9177.5-174.5179.40108.3
542C19Very low22Very low137 Ų137155.1 Ų155.193%0.92682%0.822SS**  trans-85.1117.5167.6-93.70000109.7
543S20.9Very low22.1Very low98 Ų98156 Ų15669%0.68583%0.827SS**  trans-97.2125177.335.10000111.5
544I20Very low21.9Very low159 Ų159153.2 Ų153.282%0.81583%0.826SS**  trans46117.8135.6-49.2169.1000118
545S23Very low22Very low112 Ų112151.6 Ų151.678%0.78383%0.832SS**  trans-157.5113.9134.456.20000110.4
546N19.1Very low21.9Very low164 Ų164148 Ų14888%0.87783%0.829SS**  trans-84.8130.6165.5-73.6-13.6000109
547S23.7Very low21.9Very low101 Ų101148.8 Ų148.871%0.70683%0.833SS**  trans-166.4147160.859.80000105.3
548E24Very low21.8Very low183 Ų183147.9 Ų147.986%0.85583%0.832SS**  cis-169.9156.6-9.8-115.4176.8176.600103.2
549N21Very low21.7Very low164 Ų164149.9 Ų149.988%0.87783%0.832SS**  trans-68.7136.2-174.7-59.7-48.1000112.2
550V24.7Very low21.8Very low132 Ų132150.3 Ų150.380%0.883%0.829SS**  trans-134.8103.6159.6-177.60000110.1
551N23.1Very low21.7Very low141 Ų141150.5 Ų150.575%0.75483%0.825SS**  trans39.2117.4138-57.8-16.5000120.9
552T20.5Very low21.7Very low138 Ų138147.9 Ų147.985%0.84783%0.826SS**  trans-44128.3151.645.20000114.7
553E24.6Very low22Very low194 Ų194146.8 Ų146.891%0.90782%0.819SS**  trans-129.6124.4151.6-75.8-172.6169.200109.4
554S21.5Very low22.2Very low117 Ų117145.7 Ų145.782%0.81882%0.824SS**  trans-99.7126.8-178.7120.30000107.9
555C23.2Very low22.2Very low133 Ų133145.8 Ų145.890%0.89983%0.826SS**  trans-133.5109.6172.9-93.10000111.3
556G22.9Very low22.3Very low70 Ų70148.5 Ų148.572%0.72283%0.826SS**  trans75.488.2132.100000118.7
557E20Very low22.4Very low196 Ų196148.2 Ų148.292%0.91682%0.823SS**  trans-65.2124.9158.3-70.2176.3149.300110.5
558I21.8Very low22.4Very low159 Ų159150.3 Ų150.382%0.81583%0.825SS**  trans-98.5114.8170.6-63.3175.4000107.8
559Q21Very low22.4Very low170 Ų170149.8 Ų149.879%0.79482%0.823SS**  trans-68132.9179.9-80.6172.1-38.100112.3
560Y19.3Very low22.5Very low218 Ų218148.2 Ų148.286%0.85582%0.819SS**  trans-76.7118.8169.8-68.6-91.3000110.2T562Y560-T562 PolarHBondContact O-N 3.42Å
561H22.2Very low22.5Very low181 Ų181149.2 Ų149.284%0.83882%0.821SS**  trans-83.3107.4163-86-77.4000109.5
562T20.3Very low22.5Very low139 Ų139150.9 Ų150.985%0.85383%0.828SS**  trans-90.1114.4167-16.50000107.2Y560Y560-T562 PolarHBondContact O-N 3.42Å
563S24.9Very low22.8Very low113 Ų113149.1 Ų149.179%0.7982%0.821SS**  trans-135.2120173.262.40000111.4
564G24.2Very low23Very low75 Ų75144 Ų14477%0.77381%0.806SS**  trans83.992.9136.500000117.2E566G564-E566 PolarHBondContact O-N 2.88Å
565N21.2Very low23.3Very low162 Ų162145.7 Ų145.787%0.86681%0.806SS**  trans-61.7110.5156.5-70.7-36.4000110.1
566E24.7Very low23.8Very low169 Ų169142.6 Ų142.679%0.7979%0.786SS**  trans-119.298.2159.6-75.7-170.3173.500109.3G564 L568G564-E566 PolarHBondContact O-N 2.88Å; E566-L568 PolarHBondContact O-N 3.13Å; E566-L568 VanDerWaalsContact O-N 3.15Å
567I21Very low24.3Very low157 Ų157144.8 Ų144.881%0.80578%0.781SS**  trans-75.691.3170.5-60.4167000106.3
568L24.6Very low24.9Very low145 Ų145141 Ų14176%0.75977%0.766SS**  trans-99.5110.6168.9-76171.8000109.6E566 T570E566-L568 PolarHBondContact O-N 3.13Å; E566-L568 VanDerWaalsContact O-N 3.15Å; L568-T570 PolarHBondContact O-N 2.95Å
569Q22.9Very low25.3Very low172 Ų172143.2 Ų143.280%0.80477%0.766SS**  trans-54.8116.2178.1-69.3170.3-19.300111N571Q569-N571 PolarHBondContact O-N 3.36Å
570T23.5Very low26Very low131 Ų131140 Ų14080%0.80475%0.754SS**  trans-81.995.9173.542.40000109.7L568 I572L568-T570 PolarHBondContact O-N 2.95Å; T570-I572 PolarHBondContact O-N 2.92Å
571N24.6Very low26.8Very low154 Ų154133.5 Ų133.582%0.82474%0.74SS**  trans-70.5117.4166.4-85.2-36.3000109.6Q569 S573Q569-N571 PolarHBondContact O-N 3.36Å; N571-S573 PolarHBondContact O-N 3.46Å
572I23.5Very low27.1Very low176 Ų176130.7 Ų130.790%0.90373%0.731SS**  trans-68.8106.6178-61.6163.5000108.3T570T570-I572 PolarHBondContact O-N 2.92Å
573S27Very low27.9Very low100 Ų100132 Ų13270%0.69973%0.725SS**  trans-134.4120.9166.3-178.10000110.5N571N571-S573 PolarHBondContact O-N 3.46Å
574S28.9Very low28.5Very low86 Ų86130.5 Ų130.560%0.60171%0.714SS**  trans54.7113.815456.50000119.8S576S574-S576 PolarHBondContact O-N 3.39Å
575N27.6Very low28.8Very low154 Ų154132.3 Ų132.382%0.82471%0.706SS**THydrogen-bonded Turntrans-61.339.6177.3-79-33.2000117.3
576S33.4Very low29.5Very low68 Ų68129.7 Ų129.748%0.47670%0.695SS.*THydrogen-bonded Turntrans-87.4-17173.152.70000114.3S574S574-S576 PolarHBondContact O-N 3.39Å
577D34.5Very low29.9Very low116 Ų116130.3 Ų130.362%0.6269%0.691SS**Hα-helixtrans-91.9-15.8-165.5-65.7-6.6000114.3Y579 N580 S581D577-Y579 VanDerWaalsContact C-N 3.29Å; D577-Y579 PolarHBondContact O-N 3.39Å; D577-N580 PolarHBondContact O-N 3.01Å; D577-S581 PolarHBondContact O-N 3.16Å
578I32.8Very low30.3Very low116 Ų116128.5 Ų128.560%0.59568%0.682SS**Hα-helixtrans-69-31.5175-60.3176.5000110.7N580I578-N580 VanDerWaalsContact C-N 3.34Å; I578-N580 PolarHBondContact O-N 3.47Å
579Y29.8Very low30.7Very low205 Ų205125.8 Ų125.880%0.80468%0.681SS**Hα-helixtrans-74.2-25.8-178.3-154.7-96.2000112.9D577D577-Y579 VanDerWaalsContact C-N 3.29Å; D577-Y579 PolarHBondContact O-N 3.39Å
580N34.5Very low31.2Very low104 Ų104125.3 Ų125.356%0.55668%0.678SS**Hα-helixtrans-89.7-26.4-179.7-70.2-32.4000113.3D577 I578 L582 K583D577-N580 PolarHBondContact O-N 3.01Å; I578-N580 VanDerWaalsContact C-N 3.34Å; I578-N580 PolarHBondContact O-N 3.47Å; N580-L582 VanDerWaalsContact C-N 3.28Å; N580-L582 PolarHBondContact O-N 3.31Å; N580-K583 PolarHBondContact O-N 3.22Å
581S36.3Very low31.6Very low80 Ų80124.7 Ų124.756%0.55967%0.67SS**Hα-helixtrans-69.7-24.5178.7-155.30000113.3D577 K583 S584D577-S581 PolarHBondContact O-N 3.16Å; S581-K583 VanDerWaalsContact C-N 3.26Å; S581-K583 PolarHBondContact O-N 3.39Å; S581-S584 PolarHBondContact O-N 3.21Å; S581-S584 PolarHBondContact O-OG 3.23Å
582L29.4Very low31.8Very low122 Ų122123.1 Ų123.164%0.63967%0.666SS**THydrogen-bonded Turntrans-73.4-14.2175.3-89.4140.1000114N580N580-L582 VanDerWaalsContact C-N 3.28Å; N580-L582 PolarHBondContact O-N 3.31Å
583K36.9Very low32.3Very low167 Ų167123.4 Ų123.473%0.72666%0.663SS**THydrogen-bonded Turntrans-82.9-15.6177.6-140.9175.5-174.3-179.30113N580 S581 L585 T586N580-K583 PolarHBondContact O-N 3.22Å; S581-K583 VanDerWaalsContact C-N 3.26Å; S581-K583 PolarHBondContact O-N 3.39Å; K583-L585 VanDerWaalsContact C-N 3.29Å; K583-L585 PolarHBondContact O-N 3.1Å; K583-T586 PolarHBondContact O-OG1 3.05Å; K583-T586 VanDerWaalsContact O-OG1 3.13Å
584S37.2Very low32.4Very low82 Ų82124.9 Ų124.957%0.57367%0.668SS**G310 helixtrans-75.9-17.5177.4-37.60000113.1S581 T586S581-S584 PolarHBondContact O-N 3.21Å; S581-S584 PolarHBondContact O-OG 3.23Å; S584-T586 VanDerWaalsContact C-N 3.35Å
585L29.9Very low32.5Very low113 Ų113126.5 Ų126.559%0.59268%0.677SS**G310 helixtrans-83.3-6.5-176.3-86.7153.6000114.1K583 W587 L588K583-L585 VanDerWaalsContact C-N 3.29Å; K583-L585 PolarHBondContact O-N 3.1Å; L585-W587 VanDerWaalsContact C-N 3.28Å; L585-W587 PolarHBondContact O-N 3.13Å; L585-L588 HydrophobicContact CD2-CD1 4.4Å
586T35.8Very low32.5Very low106 Ų106127.1 Ų127.165%0.6568%0.679SS**G310 helixtrans-75.3-15.8174.352.30000113.2K583 S584K583-T586 PolarHBondContact O-OG1 3.05Å; K583-T586 VanDerWaalsContact O-OG1 3.13Å; S584-T586 VanDerWaalsContact C-N 3.35Å
587W33.5Very low32.3Very low182 Ų182130.6 Ų130.669%0.68970%0.698SS**G310 helixtrans-83.9-13.5-177.9-163.671.6000114.3L585L585-W587 VanDerWaalsContact C-N 3.28Å; L585-W587 PolarHBondContact O-N 3.13Å
588L30Very low31.9Very low120 Ų120131 Ų13163%0.62870%0.704SS**G310 helixtrans-86-7.4177.1-70.2174.8000113.8L585L585-L588 HydrophobicContact CD2-CD1 4.4Å
589A32.7Very low31.9Very low88 Ų88130.4 Ų130.473%0.72771%0.708SS**G310 helixtrans-82.3-12.1-17800000114.2
590E33.8Very low31.7Very low161 Ų161126.7 Ų126.775%0.75271%0.706SS**SBendtrans-96.8-7.5-174.7-79.3-173.4158.600115.6
591N31.2Very low31.4Very low118 Ų118130.4 Ų130.463%0.63172%0.72SS**  trans-126.331.7-171.3-67.4-43.1000115.8
592V30.2Very low31Very low122 Ų122137.4 Ų137.474%0.73973%0.734SS**  trans-100.395.3168.8-175.40000109.3T594V592-T594 PolarHBondContact O-N 3.43Å
593E32.4Very low30.9Very low182 Ų182143.4 Ų143.485%0.8575%0.748SS**PPolyproline II helixtrans-51.4133.3169.1-68.4179.515800110.6P595E593-P595 WeakPolarHBondContact O-CD 3.19Å
594T29.8Very low30.6Very low131 Ų131147.7 Ų147.780%0.80476%0.76SS**PPolyproline II helixtrans-53.8119-176.7450000112.5V592V592-T594 PolarHBondContact O-N 3.43Å
595P29.9Very low30.1Very low120 Ų120147 Ų14778%0.77977%0.766SS**PPolyproline II helixtrans-71.4134.3172.825.2-29.1000111E593E593-P595 WeakPolarHBondContact O-CD 3.19Å
596L29.6Very low30.2Very low166 Ų166152.9 Ų152.987%0.86978%0.78SS**PPolyproline II helixtrans-51.3131.9-175.4-65.7161.4000113.5V598L596-V598 PolarHBondContact O-N 2.95Å; L596-V598 VanDerWaalsContact O-N 3.15Å
597T28.6Very low30.1Very low142 Ų142153 Ų15387%0.87178%0.783SS**  trans-57.2105.1177.2-40.40000111.9
598V26.7Very low30.1Very low124 Ų124149.9 Ų149.975%0.75279%0.786SS**  trans-79.4127.1172.1-179.60000109.9L596 V600L596-V598 PolarHBondContact O-N 2.95Å; L596-V598 VanDerWaalsContact O-N 3.15Å; V598-V600 PolarHBondContact O-N 3.27Å
599P31.1Very low30.2Very low104 Ų104155.8 Ų155.868%0.67580%0.8SS**  trans-72.5116.1-175-14.128.6000112.6H601P599-H601 PolarHBondContact O-N 3.33Å
600V26Very low30.4Very low127 Ų127158.8 Ų158.877%0.7780%0.804SS**  trans-76.6104.8171.8178.50000109.5V598 R602V598-V600 PolarHBondContact O-N 3.27Å; V600-R602 PolarHBondContact O-N 3.29Å
601H27.8Very low30.3Very low181 Ų181156.4 Ų156.484%0.83880%0.802SS**  trans-65.495.8172-80.9-61.2000111.3P599 R603P599-H601 PolarHBondContact O-N 3.33Å; H601-R603 PolarHBondContact O-N 2.93Å
602R28.8Very low30.3Very low228 Ų228162.9 Ų162.986%0.8682%0.818SS**  trans-71.5121.7168.2-74.6-175.8177.3154.60.2110V600 R604V600-R602 PolarHBondContact O-N 3.29Å; R602-R604 PolarHBondContact O-N 3.13Å
603R26.8Very low30.6Very low248 Ų248164.4 Ų164.494%0.93682%0.82SS**  trans-56.2124.8175.9-65.9-175.7-178.9-167.80.6110.2H601 G605H601-R603 PolarHBondContact O-N 2.93Å; R603-G605 PolarHBondContact O-N 2.93Å
604R30.9Very low30.4Very low257 Ų257161.5 Ų161.597%0.9782%0.817SS**  trans-67.291.2180-67.4179177-175.4-1110.6R602R602-R604 PolarHBondContact O-N 3.13Å
605G27.1Very low30.2Very low68 Ų68160.8 Ų160.870%0.70182%0.817SS**PPolyproline II helixtrans-86.2133.3163.200000110.5R603R603-G605 PolarHBondContact O-N 2.93Å
606R31.5Very low30.2Very low235 Ų235160.3 Ų160.389%0.88782%0.817SS**PPolyproline II helixtrans-62.7127.6-178.5-167179.2-166.4-1775.7110.7
607P35Very low30.3Very low110 Ų110159.3 Ų159.371%0.71482%0.818SS**PPolyproline II helixtrans-67.3143.4-177.7-1830000112.7
608P33.3Very low30.4Very low115 Ų115157.9 Ų157.975%0.74781%0.814SS**PPolyproline II helixtrans-66.3139.4173-12.226.7000111.2N610P608-N610 PolarHBondContact O-N 3.4Å; P608-N610 VanDerWaalsContact O-N 3.15Å
609R31.5Very low30.4Very low244 Ų244161.4 Ų161.492%0.92182%0.822SS**  trans-67.4107.2172.3-79.9179174.1172.6-2.8109.4
610N36Very low30.2Very low152 Ų152160.6 Ų160.681%0.81382%0.819SS**PPolyproline II helixtrans-77.5136.1170-94.8-9.5000111.1P608P608-N610 PolarHBondContact O-N 3.4Å; P608-N610 VanDerWaalsContact O-N 3.15Å
611P33.2Very low30.4Very low110 Ų110161 Ų16171%0.71482%0.822SS**PPolyproline II helixtrans-64.1139.7175-16.329.6000111.9I613P611-I613 PolarHBondContact O-N 3.32Å
612R29.8Very low30.4Very low254 Ų254162.4 Ų162.496%0.95882%0.821SS**PPolyproline II helixtrans-54.5124.7174.5-89.5177.8179.3152.2-0.9110.8
613I36.3Very low30.3Very low154 Ų154158 Ų15879%0.7981%0.814SS**  trans-116.6137.2162.9-61.2176.5000107.4P611P611-I613 PolarHBondContact O-N 3.32Å
614P28.1Very low30.4Very low122 Ų122151.2 Ų151.279%0.79281%0.811SS**  trans-69.7139.2-169.6-1429.4000113.1
615S26.3Very low30.2Very low115 Ų115148.1 Ų148.180%0.80481%0.805SS**  trans-67117.6172.645.10000112.6
616S29.5Very low30.1Very low111 Ų111150.4 Ų150.478%0.77681%0.81SS**  trans168.791.2143.155.20000111.2
617T31.1Very low30Very low145 Ų145144.9 Ų144.989%0.8981%0.806SS**  trans-152.8130.9146.5-45.10000109.2
618S31Very low29.6Very low111 Ų111148.6 Ų148.678%0.77681%0.814SS**  trans-62140.1-163.2-39.40000114.2S620S618-S620 PolarHBondContact O-N 3.35Å; S618-S620 VanDerWaalsContact O-N 3.13Å
619Q27.2Very low29.6Very low198 Ų198152.7 Ų152.793%0.92582%0.82SS**  trans-63.7103.2169.9-67168-1600109.3
620S27.9Very low29.8Very low88 Ų88146.3 Ų146.362%0.61581%0.808SS**  trans-97.3119.516468.70000109.3S618 Y622S618-S620 PolarHBondContact O-N 3.35Å; S618-S620 VanDerWaalsContact O-N 3.13Å; S620-Y622 PolarHBondContact O-N 3.16Å
621V29.6Very low29.9Very low136 Ų136147 Ų14782%0.82481%0.805SS**  trans-65.295176.6177.60000108N623V621-N623 PolarHBondContact O-N 3.45Å
622Y28.3Very low30.2Very low210 Ų210149.8 Ų149.882%0.82481%0.812SS**  trans-80.7111.5171.2-96.4-84.8000109.7S620 A624S620-Y622 PolarHBondContact O-N 3.16Å; Y622-A624 PolarHBondContact O-N 3.43Å
623N26.3Very low31.4Very low135 Ų135143.5 Ų143.572%0.72280%0.802SS**  trans-50.8121.7176.4-104.4-34.5000112.6V621 K625V621-N623 PolarHBondContact O-N 3.45Å; N623-K625 PolarHBondContact O-N 3Å
624A27.9Very low32.8Very low105 Ų105138.8 Ų138.887%0.86878%0.777SS**SBendtrans-7850.7-179.500000113.9Y622Y622-A624 PolarHBondContact O-N 3.43Å
625K26.9Very low35.1Very low192 Ų192135.2 Ų135.284%0.83575%0.754SS**  trans-119.623.5-173.6-77.2-168.2175.6-177.50116.6N623N623-K625 PolarHBondContact O-N 3Å
626S25.7Very low37.5Very low117 Ų117137 Ų13782%0.81875%0.749SS**SBendtrans-134.321.3-177.960.90000117.2
627C29Very low39.9Very low119 Ų119140.2 Ų140.280%0.80474%0.744SS**  trans-127.762.1177.2-155.60000112.8
628E27.5Very low42.4Very low188 Ų188133.6 Ų133.688%0.87970%0.704SS**  trans-133.814.3176.9-88.8-172170.100115.3
629K32.1Very low44.7Very low201 Ų201134.1 Ų134.187%0.87469%0.692SS**SBendtrans-119.814.6-170.2-77.5-169.9176.8-178.30119.2
630T37Very low47.2Very low110 Ų110128.9 Ų128.968%0.67568%0.675SS**  trans-121.811.9-178.549.90000117L632T630-L632 VanDerWaalsContact C-N 3.34Å; T630-L632 PolarHBondContact O-N 2.96Å
631F37.9Very low49.4Very low167 Ų167130.8 Ų130.873%0.73267%0.673SS**  trans-84.78178.6-78.3-75.9000115.9
632L38.5Very low52Low167 Ų167125.6 Ų125.687%0.87464%0.639SS**SBendtrans-101.29.2-167.4-80.7171.3000117.7T630T630-L632 VanDerWaalsContact C-N 3.34Å; T630-L632 PolarHBondContact O-N 2.96Å
633T54.9Low54.6Low122 Ų122125.9 Ų125.975%0.74864%0.639SS**SBendtrans-122.112.8-175.759.50000116.2
634H66.1Low57.5Low56 Ų56128.7 Ų128.726%0.25964%0.64SS.*SBendtrans-93.1137.3178.6-64-29000112.9Q636 F642 L654H634-Q636 PolarHBondContact O-N 3.31Å; H634-F642 HydrophobicContact CB-CD2 4.3Å; H634-F642 HydrophobicContact CB-CE2 3.92Å; H634-L654 WeakPolarHBondContact CE1-CD1 3.35Å; H634-L654 WeakPolarHBondContact ND1-CD1 3.28Å
635P75.8Confident60.3Low47 Ų47126.9 Ų126.931%0.30562%0.616SS.*  trans-58131.5175.1-20.631.3000111.1W637 L638 L654P635-W637 VanDerWaalsContact C-N 3.25Å; P635-W637 PolarHBondContact O-N 2.96Å; P635-L638 HydrophobicContact CB-CD1 4.3Å; P635-L638 HydrophobicContact CG-CD1 4.03Å; P635-L638 PolarHBondContact O-N 3.44Å; P635-L654 HydrophobicContact CG-CD2 4.33Å
636Q77Confident63.3Low151 Ų151120.1 Ų120.171%0.70659%0.593SS**G310 helixtrans-60.7-33.8-173.6-66.4-155.8-5.600113.4H634 L638 K639H634-Q636 PolarHBondContact O-N 3.31Å; Q636-L638 PolarHBondContact O-N 3.43Å; Q636-K639 WeakPolarHBondContact O-CB 3.34Å; Q636-K639 WeakPolarHBondContact O-CG 3.36Å; Q636-K639 PolarHBondContact O-N 2.9Å
637W80.9Confident66.2Low179 Ų179119.5 Ų119.568%0.67858%0.584SS**G310 helixtrans-69.5-17.5179.368.2-92.4000113.8P635P635-W637 VanDerWaalsContact C-N 3.25Å; P635-W637 PolarHBondContact O-N 2.96Å
638L82.3Confident69.1Low7 Ų7117.2 Ų117.24%0.03757%0.569CS.*G310 helixtrans-90.9-8.7175.9-75.6173000113.5P635 Q636 P640 F641 F642 F653 L654 L657P635-L638 HydrophobicContact CB-CD1 4.3Å; P635-L638 HydrophobicContact CG-CD1 4.03Å; P635-L638 PolarHBondContact O-N 3.44Å; Q636-L638 PolarHBondContact O-N 3.43Å; L638-P640 VanDerWaalsContact C-CD 3.42Å; L638-P640 VanDerWaalsContact C-N 3.34Å; L638-F641 HydrophobicContact CD2-CD2 4.15Å; L638-F641 PolarHBondContact O-N 2.91Å; L638-F642 HydrophobicContact CB-CD2 4.11Å; L638-F642 HydrophobicContact CB-CE2 3.5Å; L638-F642 HydrophobicContact CB-CZ 3.83Å; L638-F642 HydrophobicContact CD1-CE2 4.34Å; L638-F642 HydrophobicContact CD1-CZ 3.98Å; L638-F642 HydrophobicContact CG-CZ 4.47Å; L638-F642 WeakPolarHBondContact O-CD2 3.35Å; L638-F642 PolarHBondContact O-N 3.36Å; L638-F653 HydrophobicContact CD1-CE1 4.44Å; L638-F653 HydrophobicContact CD2-CE1 4.36Å; L638-L654 HydrophobicContact CD1-CD2 4.14Å; L638-L657 HydrophobicContact CD1-CD1 4.18Å
639K80.2Confident72.1Confident121 Ų121112.9 Ų112.953%0.52655%0.549SS..Hα-helixtrans-53-41.4-178.7-72.9179175-178.10114Q636 F641 F642Q636-K639 WeakPolarHBondContact O-CB 3.34Å; Q636-K639 WeakPolarHBondContact O-CG 3.36Å; Q636-K639 PolarHBondContact O-N 2.9Å; K639-F641 VanDerWaalsContact C-N 3.26Å; K639-F641 PolarHBondContact O-N 2.87Å; K639-F642 PolarHBondContact O-N 3.4Å
640P79.9Confident74.7Confident89 Ų89103.5 Ų103.558%0.57851%0.509SS*.Hα-helixtrans-61.4-33.8177.9-2435.2000113.4L638L638-P640 VanDerWaalsContact C-CD 3.42Å; L638-P640 VanDerWaalsContact C-N 3.34Å
641F74.3Confident77.2Confident127 Ų127103.3 Ų103.356%0.55750%0.501SS*.Hα-helixtrans-76.9-36-178.3-64.7-83.4000112.4L638 K639 R643 Y644L638-F641 HydrophobicContact CD2-CD2 4.15Å; L638-F641 PolarHBondContact O-N 2.91Å; K639-F641 VanDerWaalsContact C-N 3.26Å; K639-F641 PolarHBondContact O-N 2.87Å; F641-R643 PolarHBondContact O-N 2.75Å; F641-R643 VanDerWaalsContact O-N 3.15Å; F641-Y644 PolarHBondContact O-N 3.08Å
642F83.6Confident79.7Confident27 Ų2799 Ų9912%0.11849%0.488CS..Hα-helixtrans-67.7-12.9-179.1-66.4-40000114.3H634 L638 K639 Y644 L645 A650 F653 L654H634-F642 HydrophobicContact CB-CD2 4.3Å; H634-F642 HydrophobicContact CB-CE2 3.92Å; L638-F642 HydrophobicContact CB-CD2 4.11Å; L638-F642 HydrophobicContact CB-CE2 3.5Å; L638-F642 HydrophobicContact CB-CZ 3.83Å; L638-F642 HydrophobicContact CD1-CE2 4.34Å; L638-F642 HydrophobicContact CD1-CZ 3.98Å; L638-F642 HydrophobicContact CG-CZ 4.47Å; L638-F642 WeakPolarHBondContact O-CD2 3.35Å; L638-F642 PolarHBondContact O-N 3.36Å; K639-F642 PolarHBondContact O-N 3.4Å; F642-Y644 PolarHBondContact O-N 2.85Å; F642-Y644 VanDerWaalsContact O-N 3.17Å; F642-L645 HydrophobicContact CD1-CD1 3.84Å; F642-L645 HydrophobicContact CE1-CD1 4.36Å; F642-L645 PolarHBondContact O-N 2.9Å; F642-A650 HydrophobicContact CD1-CB 3.61Å; F642-A650 HydrophobicContact CE1-CB 3.88Å; F642-A650 HydrophobicContact CG-CB 4.23Å; F642-F653 AromaticContact CE1-CD1 3.9Å; F642-F653 HydrophobicContact CE1-CD1 3.9Å; F642-F653 HydrophobicContact CZ-CD1 4.35Å; F642-L654 HydrophobicContact CE2-CD1 4.39Å; F642-L654 HydrophobicContact CZ-CD1 3.93Å; F642-L654 HydrophobicContact CZ-CD2 4.05Å; F642-L654 HydrophobicContact CZ-CG 3.89Å
643R83.6Confident82.1Confident216 Ų21695.3 Ų95.382%0.81547%0.465SS*.THydrogen-bonded Turntrans-59-25.7172.5-174.2175.6-179.8178.81113F641F641-R643 PolarHBondContact O-N 2.75Å; F641-R643 VanDerWaalsContact O-N 3.15Å
644Y85.6Confident83.8Confident194 Ų19491.4 Ų91.476%0.76144%0.44SS*.THydrogen-bonded Turntrans-99.11.4-176.5-56.8-73.4000114F641 F642F641-Y644 PolarHBondContact O-N 3.08Å; F642-Y644 PolarHBondContact O-N 2.85Å; F642-Y644 VanDerWaalsContact O-N 3.17Å
645L87.1Confident85Confident67 Ų6795.7 Ų95.735%0.35146%0.457SS..SBendtrans-118.3142.8-175-69.1155.6000109.6F642 E649 A650F642-L645 HydrophobicContact CD1-CD1 3.84Å; F642-L645 HydrophobicContact CE1-CD1 4.36Å; F642-L645 PolarHBondContact O-N 2.9Å; L645-E649 HydrophobicContact CB-CB 4.15Å; L645-E649 HydrophobicContact CD2-CB 3.78Å; L645-A650 HydrophobicContact CB-CB 4.4Å
646S90.4Very high85.8Confident50 Ų5098.1 Ų98.135%0.3547%0.468SS..  trans-66.2161.2165.3620000110.8S648 E649 A650S646-S648 VanDerWaalsContact C-N 3.27Å; S646-S648 PolarHBondContact O-N 3.46Å; S646-S648 PolarHBondContact OG-OG 3.46Å; S646-E649 WeakPolarHBondContact CB-OE2 3.38Å; S646-E649 PolarHBondContact N-OE2 3.29Å; S646-E649 PolarHBondContact O-N 3.01Å; S646-E649 VanDerWaalsContact O-N 3.08Å; S646-E649 WeakPolarHBondContact OG-CB 3.42Å; S646-E649 WeakPolarHBondContact OG-CG 3.45Å; S646-E649 PolarHBondContact OG-N 2.88Å; S646-E649 PolarHBondContact OG-OE2 3.5Å; S646-A650 PolarHBondContact O-N 3.37Å
647T87.1Confident86.4Confident104 Ų10493.9 Ų93.964%0.63845%0.45SS*.Hα-helixtrans-57.3-39.9179.551.60000112.3A650 E651T647-A650 PolarHBondContact O-N 3.33Å; T647-E651 WeakPolarHBondContact O-CG 3.44Å; T647-E651 PolarHBondContact O-N 3Å
648S90.5Very high86.8Confident71 Ų7189.8 Ų89.850%0.49744%0.438SS..Hα-helixtrans-68.9-36.2175.652.20000113.3S646 T652S646-S648 VanDerWaalsContact C-N 3.27Å; S646-S648 PolarHBondContact O-N 3.46Å; S646-S648 PolarHBondContact OG-OG 3.46Å; S648-T652 WeakPolarHBondContact O-CB 3.48Å; S648-T652 VanDerWaalsContact O-CG2 3.3Å; S648-T652 WeakPolarHBondContact O-CG2 3.39Å; S648-T652 PolarHBondContact O-N 2.96Å; S648-T652 PolarHBondContact O-OG1 3.3Å
649E89.4Confident87.4Confident98 Ų9897.4 Ų97.446%0.45847%0.466SS..Hα-helixtrans-68.7-38.9174.5-72.8165.8154.400111.8L645 S646 T652 F653L645-E649 HydrophobicContact CB-CB 4.15Å; L645-E649 HydrophobicContact CD2-CB 3.78Å; S646-E649 WeakPolarHBondContact CB-OE2 3.38Å; S646-E649 PolarHBondContact N-OE2 3.29Å; S646-E649 PolarHBondContact O-N 3.01Å; S646-E649 VanDerWaalsContact O-N 3.08Å; S646-E649 WeakPolarHBondContact OG-CB 3.42Å; S646-E649 WeakPolarHBondContact OG-CG 3.45Å; S646-E649 PolarHBondContact OG-N 2.88Å; S646-E649 PolarHBondContact OG-OE2 3.5Å; E649-T652 VanDerWaalsContact CA-OG1 3.3Å; E649-T652 WeakPolarHBondContact CA-OG1 3.35Å; E649-T652 PolarHBondContact O-N 3.46Å; E649-T652 PolarHBondContact O-OG1 3.19Å; E649-F653 VanDerWaalsContact O-CB 3.3Å; E649-F653 WeakPolarHBondContact O-CB 3.45Å; E649-F653 PolarHBondContact O-N 3.44Å
650A87.7Confident87.9Confident4 Ų496 Ų963%0.03346%0.462CS..Hα-helixtrans-64.9-43.5175.500000112.1F642 L645 S646 T647 F653 L654F642-A650 HydrophobicContact CD1-CB 3.61Å; F642-A650 HydrophobicContact CE1-CB 3.88Å; F642-A650 HydrophobicContact CG-CB 4.23Å; L645-A650 HydrophobicContact CB-CB 4.4Å; S646-A650 PolarHBondContact O-N 3.37Å; T647-A650 PolarHBondContact O-N 3.33Å; A650-F653 PolarHBondContact O-N 2.98Å; A650-L654 WeakPolarHBondContact O-CG 3.41Å; A650-L654 PolarHBondContact O-N 3.49Å
651E89.1Confident88.5Confident105 Ų10599.1 Ų99.149%0.49146%0.462SS..Hα-helixtrans-63.7-42.1175.2-76.9-178.7-173.800112.6T647 L654 K655T647-E651 WeakPolarHBondContact O-CG 3.44Å; T647-E651 PolarHBondContact O-N 3Å; E651-L654 PolarHBondContact O-N 3Å; E651-K655 WeakPolarHBondContact O-CG 3.46Å; E651-K655 PolarHBondContact O-N 3.39Å
652T89.6Confident89.5Confident76 Ų7696.7 Ų96.747%0.46645%0.454SS..Hα-helixtrans-67-37.8176.749.50000111.8S648 E649 K655 N656S648-T652 WeakPolarHBondContact O-CB 3.48Å; S648-T652 VanDerWaalsContact O-CG2 3.3Å; S648-T652 WeakPolarHBondContact O-CG2 3.39Å; S648-T652 PolarHBondContact O-N 2.96Å; S648-T652 PolarHBondContact O-OG1 3.3Å; E649-T652 VanDerWaalsContact CA-OG1 3.3Å; E649-T652 WeakPolarHBondContact CA-OG1 3.35Å; E649-T652 PolarHBondContact O-N 3.46Å; E649-T652 PolarHBondContact O-OG1 3.19Å; T652-K655 PolarHBondContact O-N 3Å; T652-N656 VanDerWaalsContact O-CG 3.28Å; T652-N656 PolarHBondContact O-N 3.39Å; T652-N656 PolarHBondContact O-ND2 3.03Å
653F90.2Very high89.9Confident91 Ų9199.3 Ų99.340%0.39947%0.469SS..Hα-helixtrans-60.3-46.5173-179.5-99.8000112L638 F642 E649 A650 K655 N656 L657L638-F653 HydrophobicContact CD1-CE1 4.44Å; L638-F653 HydrophobicContact CD2-CE1 4.36Å; F642-F653 AromaticContact CE1-CD1 3.9Å; F642-F653 HydrophobicContact CE1-CD1 3.9Å; F642-F653 HydrophobicContact CZ-CD1 4.35Å; E649-F653 VanDerWaalsContact O-CB 3.3Å; E649-F653 WeakPolarHBondContact O-CB 3.45Å; E649-F653 PolarHBondContact O-N 3.44Å; A650-F653 PolarHBondContact O-N 2.98Å; F653-K655 PolarHBondContact O-N 3.41Å; F653-N656 PolarHBondContact O-N 2.9Å; F653-L657 HydrophobicContact CD1-CD1 4.05Å; F653-L657 HydrophobicContact CE1-CD1 3.44Å; F653-L657 VanDerWaalsContact CE1-CD1 3.44Å; F653-L657 HydrophobicContact CE1-CG 4.43Å; F653-L657 HydrophobicContact CZ-CD1 3.91Å; F653-L657 PolarHBondContact O-N 2.87Å
654L89.4Confident90.3Very high40 Ų4096.9 Ų96.921%0.20946%0.459CS..Hα-helixtrans-63.9-40.4177.1-76.1165.3000112.8H634 P635 L638 F642 A650 E651 N656 L657 E658H634-L654 WeakPolarHBondContact CE1-CD1 3.35Å; H634-L654 WeakPolarHBondContact ND1-CD1 3.28Å; P635-L654 HydrophobicContact CG-CD2 4.33Å; L638-L654 HydrophobicContact CD1-CD2 4.14Å; F642-L654 HydrophobicContact CE2-CD1 4.39Å; F642-L654 HydrophobicContact CZ-CD1 3.93Å; F642-L654 HydrophobicContact CZ-CD2 4.05Å; F642-L654 HydrophobicContact CZ-CG 3.89Å; A650-L654 WeakPolarHBondContact O-CG 3.41Å; A650-L654 PolarHBondContact O-N 3.49Å; E651-L654 PolarHBondContact O-N 3Å; L654-N656 VanDerWaalsContact C-N 3.3Å; L654-N656 PolarHBondContact O-N 3.44Å; L654-L657 WeakPolarHBondContact O-CB 3.25Å; L654-L657 PolarHBondContact O-N 3.44Å; L654-E658 PolarHBondContact O-N 3.28Å
655K91.9Very high90.7Very high145 Ų14591.7 Ų91.763%0.6344%0.444SS*.Hα-helixtrans-61-39.1173.1-76.4177.1-179.5173.20112.1E651 T652 F653 R659E651-K655 WeakPolarHBondContact O-CG 3.46Å; E651-K655 PolarHBondContact O-N 3.39Å; T652-K655 PolarHBondContact O-N 3Å; F653-K655 PolarHBondContact O-N 3.41Å; K655-R659 WeakPolarHBondContact O-CB 3.44Å; K655-R659 PolarHBondContact O-N 3.2Å
656N91.6Very high91Very high99 Ų9993 Ų9353%0.52945%0.449SS..Hα-helixtrans-68.3-39.2177.1-72.4-19.7000112.1T652 F653 L654 R659 E660T652-N656 VanDerWaalsContact O-CG 3.28Å; T652-N656 PolarHBondContact O-N 3.39Å; T652-N656 PolarHBondContact O-ND2 3.03Å; F653-N656 PolarHBondContact O-N 2.9Å; L654-N656 VanDerWaalsContact C-N 3.3Å; L654-N656 PolarHBondContact O-N 3.44Å; N656-R659 PolarHBondContact O-N 3.28Å; N656-E660 PolarHBondContact O-N 2.78Å
657L89.6Confident90.8Very high62 Ų6295.5 Ų95.533%0.32546%0.457SS..Hα-helixtrans-60.3-46.3174.3-108.4166000112L638 F653 L654 R659 E660 R661L638-L657 HydrophobicContact CD1-CD1 4.18Å; F653-L657 HydrophobicContact CD1-CD1 4.05Å; F653-L657 HydrophobicContact CE1-CD1 3.44Å; F653-L657 VanDerWaalsContact CE1-CD1 3.44Å; F653-L657 HydrophobicContact CE1-CG 4.43Å; F653-L657 HydrophobicContact CZ-CD1 3.91Å; F653-L657 PolarHBondContact O-N 2.87Å; L654-L657 WeakPolarHBondContact O-CB 3.25Å; L654-L657 PolarHBondContact O-N 3.44Å; L657-R659 VanDerWaalsContact C-N 3.34Å; L657-E660 PolarHBondContact O-N 2.95Å; L657-R661 PolarHBondContact O-N 2.86Å
658E90.8Very high90.8Very high93 Ų9393.9 Ų93.944%0.43545%0.45SS..Hα-helixtrans-66.2-39177.4-171.659.5-161.900111.5L654 E660 R661 I662L654-E658 PolarHBondContact O-N 3.28Å; E658-E660 VanDerWaalsContact C-N 3.34Å; E658-E660 PolarHBondContact O-N 3.34Å; E658-R661 WeakPolarHBondContact O-CB 3.49Å; E658-R661 PolarHBondContact O-N 3.27Å; E658-R661 IonicContact OE2-NH1 3.85Å; E658-I662 HydrophobicContact CG-CD1 4.3Å; E658-I662 WeakPolarHBondContact O-CG1 3.46Å; E658-I662 PolarHBondContact O-N 2.89Å
659R93.6Very high90.7Very high167 Ų16795.8 Ų95.863%0.6345%0.451SS*.Hα-helixtrans-60.6-43.5173.3-173.2-179.4-177-178.41.5111.9K655 N656 L657 R661 I662 L663K655-R659 WeakPolarHBondContact O-CB 3.44Å; K655-R659 PolarHBondContact O-N 3.2Å; N656-R659 PolarHBondContact O-N 3.28Å; L657-R659 VanDerWaalsContact C-N 3.34Å; R659-R661 VanDerWaalsContact C-N 3.32Å; R659-R661 PolarHBondContact O-N 2.96Å; R659-I662 PolarHBondContact O-N 2.83Å; R659-L663 HydrophobicContact CG-CD1 4.27Å; R659-L663 VanDerWaalsContact O-CG 3.3Å; R659-L663 WeakPolarHBondContact O-CG 3.17Å; R659-L663 PolarHBondContact O-N 2.92Å
660E91.6Very high90.6Very high91 Ų9196.4 Ų96.443%0.42546%0.457SS..Hα-helixtrans-63.1-40.7176.9-164.2-168.515300111.3N656 L657 E658 L663 R664N656-E660 PolarHBondContact O-N 2.78Å; L657-E660 PolarHBondContact O-N 2.95Å; E658-E660 VanDerWaalsContact C-N 3.34Å; E658-E660 PolarHBondContact O-N 3.34Å; E660-L663 PolarHBondContact O-N 2.84Å; E660-R664 WeakPolarHBondContact O-CG 3.3Å; E660-R664 PolarHBondContact O-N 2.71Å; E660-R664 IonicContact OE1-CZ 3.32Å; E660-R664 IonicContact OE1-NE 3.04Å; E660-R664 PolarHBondContact OE1-NE 2.76Å; E660-R664 IonicContact OE1-NH2 3.72Å; E660-R664 PolarHBondContact OE1-NH2 3.31Å
661R91.3Very high90.5Very high155 Ų155101.4 Ų101.459%0.58548%0.482SS*.Hα-helixtrans-59.9-46.8175.2-174.7-173.6-179-175.50.8112L657 E658 R659 R664 I665L657-R661 PolarHBondContact O-N 2.86Å; E658-R661 WeakPolarHBondContact O-CB 3.49Å; E658-R661 PolarHBondContact O-N 3.27Å; E658-R661 IonicContact OE2-NH1 3.85Å; R659-R661 VanDerWaalsContact C-N 3.32Å; R659-R661 PolarHBondContact O-N 2.96Å; R661-R664 PolarHBondContact O-N 3.15Å; R661-I665 HydrophobicContact CG-CD1 4.35Å; R661-I665 WeakPolarHBondContact O-CG1 3.43Å; R661-I665 PolarHBondContact O-N 2.97Å; R661-I665 VanDerWaalsContact O-N 3.15Å
662I95Very high90.2Very high76 Ų76103.1 Ų103.139%0.3949%0.49SS..Hα-helixtrans-60.5-48.1177.4-67.5165000110.3E658 R659 R664 I665 E666E658-I662 HydrophobicContact CG-CD1 4.3Å; E658-I662 WeakPolarHBondContact O-CG1 3.46Å; E658-I662 PolarHBondContact O-N 2.89Å; R659-I662 PolarHBondContact O-N 2.83Å; I662-R664 VanDerWaalsContact C-N 3.28Å; I662-R664 PolarHBondContact O-N 3.31Å; I662-I665 WeakPolarHBondContact O-CB 3.41Å; I662-I665 PolarHBondContact O-N 3.25Å; I662-E666 HydrophobicContact CG2-CG 4.37Å; I662-E666 PolarHBondContact O-N 2.98Å
663L93.1Very high89.8Confident81 Ų81104 Ų10442%0.42449%0.492SS..Hα-helixtrans-60.1-37.8178.9-71.2171.5000112.4R659 E660 I665 E666 L667R659-L663 HydrophobicContact CG-CD1 4.27Å; R659-L663 VanDerWaalsContact O-CG 3.3Å; R659-L663 WeakPolarHBondContact O-CG 3.17Å; R659-L663 PolarHBondContact O-N 2.92Å; E660-L663 PolarHBondContact O-N 2.84Å; L663-I665 VanDerWaalsContact C-N 3.33Å; L663-E666 PolarHBondContact O-N 3.04Å; L663-L667 WeakPolarHBondContact O-CB 3.3Å; L663-L667 VanDerWaalsContact O-CG 3.25Å; L663-L667 WeakPolarHBondContact O-CG 3.33Å; L663-L667 PolarHBondContact O-N 3.04Å
664R92.7Very high89.2Confident165 Ų165107.7 Ų107.762%0.62351%0.505SS*.Hα-helixtrans-64.6-37.2174.9-73.7173.9-179.3-100.94.1112.2E660 R661 I662 S668E660-R664 WeakPolarHBondContact O-CG 3.3Å; E660-R664 PolarHBondContact O-N 2.71Å; E660-R664 IonicContact OE1-CZ 3.32Å; E660-R664 IonicContact OE1-NE 3.04Å; E660-R664 PolarHBondContact OE1-NE 2.76Å; E660-R664 IonicContact OE1-NH2 3.72Å; E660-R664 PolarHBondContact OE1-NH2 3.31Å; R661-R664 PolarHBondContact O-N 3.15Å; I662-R664 VanDerWaalsContact C-N 3.28Å; I662-R664 PolarHBondContact O-N 3.31Å; R664-S668 WeakPolarHBondContact O-CB 3.35Å; R664-S668 PolarHBondContact O-N 3.42Å
665I93.7Very high88.4Confident85 Ų85109.3 Ų109.344%0.43652%0.518SS..Hα-helixtrans-68.3-47176-66165.3000110.4R661 I662 L663 L667 S668 Q669R661-I665 HydrophobicContact CG-CD1 4.35Å; R661-I665 WeakPolarHBondContact O-CG1 3.43Å; R661-I665 PolarHBondContact O-N 2.97Å; R661-I665 VanDerWaalsContact O-N 3.15Å; I662-I665 WeakPolarHBondContact O-CB 3.41Å; I662-I665 PolarHBondContact O-N 3.25Å; L663-I665 VanDerWaalsContact C-N 3.33Å; I665-L667 PolarHBondContact O-N 3.38Å; I665-S668 WeakPolarHBondContact O-CB 3.36Å; I665-S668 PolarHBondContact O-N 3.19Å; I665-S668 VanDerWaalsContact O-N 3.16Å; I665-Q669 WeakPolarHBondContact O-CG 3.3Å; I665-Q669 PolarHBondContact O-N 3.44Å
666E93.7Very high87.3Confident96 Ų96104 Ų10445%0.44950%0.504SS..Hα-helixtrans-60.4-43.7177.2-71.5177.7175.300111.7I662 L663 S668 Q669 L670I662-E666 HydrophobicContact CG2-CG 4.37Å; I662-E666 PolarHBondContact O-N 2.98Å; L663-E666 PolarHBondContact O-N 3.04Å; E666-S668 VanDerWaalsContact C-N 3.33Å; E666-S668 PolarHBondContact O-N 3.49Å; E666-Q669 PolarHBondContact O-N 3.49Å; E666-L670 WeakPolarHBondContact O-CB 3.39Å; E666-L670 WeakPolarHBondContact O-CG 3.3Å; E666-L670 PolarHBondContact O-N 3.25Å
667L85.7Confident85.7Confident101 Ų101105.7 Ų105.753%0.52951%0.507SS..Hα-helixtrans-62.2-41.1174.6-75.4171.1000111.7L663 I665 Q669 L670 I671L663-L667 WeakPolarHBondContact O-CB 3.3Å; L663-L667 VanDerWaalsContact O-CG 3.25Å; L663-L667 WeakPolarHBondContact O-CG 3.33Å; L663-L667 PolarHBondContact O-N 3.04Å; I665-L667 PolarHBondContact O-N 3.38Å; L667-Q669 VanDerWaalsContact C-N 3.35Å; L667-L670 PolarHBondContact O-N 3.23Å; L667-I671 WeakPolarHBondContact O-CB 3.48Å; L667-I671 WeakPolarHBondContact O-CD1 3.33Å; L667-I671 WeakPolarHBondContact O-CG1 3.27Å; L667-I671 PolarHBondContact O-N 3.38Å
668S87.3Confident84.1Confident70 Ų70105.8 Ų105.849%0.4951%0.513SS..Hα-helixtrans-63.6-40.6175.9-1700000112R664 I665 E666 I671 Q672R664-S668 WeakPolarHBondContact O-CB 3.35Å; R664-S668 PolarHBondContact O-N 3.42Å; I665-S668 WeakPolarHBondContact O-CB 3.36Å; I665-S668 PolarHBondContact O-N 3.19Å; I665-S668 VanDerWaalsContact O-N 3.16Å; E666-S668 VanDerWaalsContact C-N 3.33Å; E666-S668 PolarHBondContact O-N 3.49Å; S668-I671 PolarHBondContact O-N 3.05Å; S668-Q672 WeakPolarHBondContact O-CB 3.47Å; S668-Q672 PolarHBondContact O-N 3.1Å
669Q87.8Confident82.4Confident111 Ų111108 Ų10852%0.51953%0.525SS..Hα-helixtrans-65-45.7175.3-75.1175.7-9.400111.2I665 E666 L667 I671 Q672 D673I665-Q669 WeakPolarHBondContact O-CG 3.3Å; I665-Q669 PolarHBondContact O-N 3.44Å; E666-Q669 PolarHBondContact O-N 3.49Å; L667-Q669 VanDerWaalsContact C-N 3.35Å; Q669-I671 VanDerWaalsContact C-N 3.32Å; Q669-I671 PolarHBondContact O-N 2.94Å; Q669-Q672 CarbonylContact O-C 3.59Å; Q669-Q672 PolarHBondContact O-N 3.43Å; Q669-Q672 VanDerWaalsContact O-N 3.13Å; Q669-D673 WeakPolarHBondContact O-CB 3.42Å; Q669-D673 PolarHBondContact O-N 3.06Å
670L87.5Confident80.6Confident112 Ų112106.6 Ų106.659%0.58652%0.524SS*.Hα-helixtrans-61-39.3176.3-75.5168.2000112.4E666 L667 Y674E666-L670 WeakPolarHBondContact O-CB 3.39Å; E666-L670 WeakPolarHBondContact O-CG 3.3Å; E666-L670 PolarHBondContact O-N 3.25Å; L667-L670 PolarHBondContact O-N 3.23Å; L670-Y674 WeakPolarHBondContact O-CB 3.44Å; L670-Y674 PolarHBondContact O-N 3.17Å
671I86.4Confident78.8Confident109 Ų109105.6 Ų105.656%0.55952%0.524SS*.Hα-helixtrans-65.6-43.2174.6-69.8164.3000110.3L667 S668 Q669 Y674 C675L667-I671 WeakPolarHBondContact O-CB 3.48Å; L667-I671 WeakPolarHBondContact O-CD1 3.33Å; L667-I671 WeakPolarHBondContact O-CG1 3.27Å; L667-I671 PolarHBondContact O-N 3.38Å; S668-I671 PolarHBondContact O-N 3.05Å; Q669-I671 VanDerWaalsContact C-N 3.32Å; Q669-I671 PolarHBondContact O-N 2.94Å; I671-Y674 PolarHBondContact O-N 3.07Å; I671-C675 WeakPolarHBondContact O-CB 3.28Å; I671-C675 PolarHBondContact O-N 3.15Å; I671-C675 PolarHBondContact O-SG 3.39Å
672Q81.9Confident76.8Confident140 Ų140100.1 Ų100.165%0.65451%0.512SS*.Hα-helixtrans-67.4-40.1178.8-170.2169.71.400112.2S668 Q669 C675 G676S668-Q672 WeakPolarHBondContact O-CB 3.47Å; S668-Q672 PolarHBondContact O-N 3.1Å; Q669-Q672 CarbonylContact O-C 3.59Å; Q669-Q672 PolarHBondContact O-N 3.43Å; Q669-Q672 VanDerWaalsContact O-N 3.13Å; Q672-C675 PolarHBondContact O-N 3.03Å; Q672-G676 PolarHBondContact O-N 3.18Å
673D81.4Confident74.9Confident94 Ų9499.3 Ų99.350%0.50351%0.513SS..Hα-helixtrans-65.1-42.2173.5-75-17.8000110.5Q669 G676 F677Q669-D673 WeakPolarHBondContact O-CB 3.42Å; Q669-D673 PolarHBondContact O-N 3.06Å; D673-G676 CarbonylContact O-C 3.54Å; D673-G676 PolarHBondContact O-N 2.93Å; D673-F677 WeakPolarHBondContact O-CB 3.39Å; D673-F677 VanDerWaalsContact O-CD2 3.25Å; D673-F677 WeakPolarHBondContact O-CD2 3.49Å; D673-F677 PolarHBondContact O-N 3.09Å
674Y78.4Confident72.8Confident170 Ų170100.4 Ų100.467%0.66752%0.52SS*.Hα-helixtrans-63.1-44175.8-171.7-95.9000111.7L670 I671 G676 F677 S678L670-Y674 WeakPolarHBondContact O-CB 3.44Å; L670-Y674 PolarHBondContact O-N 3.17Å; I671-Y674 PolarHBondContact O-N 3.07Å; Y674-G676 VanDerWaalsContact C-N 3.34Å; Y674-G676 PolarHBondContact O-N 3.03Å; Y674-F677 PolarHBondContact O-N 2.94Å; Y674-S678 WeakPolarHBondContact O-CB 3.46Å; Y674-S678 PolarHBondContact O-N 3.4Å
675C72.3Confident70.9Confident73 Ų7398.7 Ų98.749%0.49352%0.521SS..Hα-helixtrans-63-39.6172.5-710000111.7I671 Q672 S678 M679I671-C675 WeakPolarHBondContact O-CB 3.28Å; I671-C675 PolarHBondContact O-N 3.15Å; I671-C675 PolarHBondContact O-SG 3.39Å; Q672-C675 PolarHBondContact O-N 3.03Å; C675-S678 PolarHBondContact O-N 2.99Å; C675-M679 WeakPolarHBondContact O-CG 3.25Å; C675-M679 PolarHBondContact O-N 3.36Å
676G67.8Low68.6Low33 Ų33101.8 Ų101.834%0.3454%0.538SS..Hα-helixtrans-68.4-39.3176.900000113.4Q672 D673 Y674 M679 K680Q672-G676 PolarHBondContact O-N 3.18Å; D673-G676 CarbonylContact O-C 3.54Å; D673-G676 PolarHBondContact O-N 2.93Å; Y674-G676 VanDerWaalsContact C-N 3.34Å; Y674-G676 PolarHBondContact O-N 3.03Å; G676-M679 PolarHBondContact O-N 3.26Å; G676-K680 WeakPolarHBondContact O-CB 3.35Å; G676-K680 WeakPolarHBondContact O-CG 3.49Å; G676-K680 PolarHBondContact O-N 2.81Å
677F58Low66.3Low135 Ų135102.8 Ų102.859%0.59255%0.554SS**Hα-helixtrans-68.7-38172.8-91.6-76.8000111.1D673 Y674 M679 K680 T681D673-F677 WeakPolarHBondContact O-CB 3.39Å; D673-F677 VanDerWaalsContact O-CD2 3.25Å; D673-F677 WeakPolarHBondContact O-CD2 3.49Å; D673-F677 PolarHBondContact O-N 3.09Å; Y674-F677 PolarHBondContact O-N 2.94Å; F677-M679 VanDerWaalsContact C-N 3.29Å; F677-M679 PolarHBondContact O-N 3.25Å; F677-K680 PolarHBondContact O-N 2.84Å; F677-T681 WeakPolarHBondContact O-CB 3.36Å; F677-T681 VanDerWaalsContact O-CG2 3.3Å; F677-T681 WeakPolarHBondContact O-CG2 3.03Å; F677-T681 PolarHBondContact O-N 3.06Å; F677-T681 PolarHBondContact O-OG1 2.97Å
678S55.4Low64.1Low65 Ų65106 Ų10646%0.45558%0.583SS.*Hα-helixtrans-61.1-39.8172.2-1760000111.3Y674 C675 T681 A682Y674-S678 WeakPolarHBondContact O-CB 3.46Å; Y674-S678 PolarHBondContact O-N 3.4Å; C675-S678 PolarHBondContact O-N 2.99Å; S678-T681 WeakPolarHBondContact CA-OG1 3.48Å; S678-T681 PolarHBondContact O-OG1 3.39Å; S678-T681 VanDerWaalsContact O-OG1 3.13Å; S678-A682 WeakPolarHBondContact O-CB 3.4Å; S678-A682 PolarHBondContact O-N 3.22Å
679M55.3Low62.9Low139 Ų139107.8 Ų107.869%0.68559%0.588SS**Hα-helixtrans-73.4-38176.3-69.3-66.4173.200112.4C675 G676 F677 S683C675-M679 WeakPolarHBondContact O-CG 3.25Å; C675-M679 PolarHBondContact O-N 3.36Å; G676-M679 PolarHBondContact O-N 3.26Å; F677-M679 VanDerWaalsContact C-N 3.29Å; F677-M679 PolarHBondContact O-N 3.25Å; M679-S683 WeakPolarHBondContact O-CB 3.41Å; M679-S683 PolarHBondContact O-N 2.89Å; M679-S683 PolarHBondContact O-OG 2.96Å
680K55.4Low61.6Low137 Ų137107.6 Ų107.660%0.59659%0.592SS**Hα-helixtrans-68.7-37.4175.5-79-179.5179.2176.90113.1G676 F677 S683 N684G676-K680 WeakPolarHBondContact O-CB 3.35Å; G676-K680 WeakPolarHBondContact O-CG 3.49Å; G676-K680 PolarHBondContact O-N 2.81Å; F677-K680 PolarHBondContact O-N 2.84Å; K680-S683 VanDerWaalsContact CA-OG 3.28Å; K680-S683 WeakPolarHBondContact CA-OG 3.42Å; K680-S683 PolarHBondContact O-OG 2.83Å; K680-N684 VanDerWaalsContact O-CB 3.27Å; K680-N684 WeakPolarHBondContact O-CB 3.3Å; K680-N684 PolarHBondContact O-N 3.02Å
681T54Low60.2Low70 Ų70107.4 Ų107.443%0.42959%0.592SS.*Hα-helixtrans-72.1-40.9175.350.10000110.4F677 S678 S683 N684 I685F677-T681 WeakPolarHBondContact O-CB 3.36Å; F677-T681 VanDerWaalsContact O-CG2 3.3Å; F677-T681 WeakPolarHBondContact O-CG2 3.03Å; F677-T681 PolarHBondContact O-N 3.06Å; F677-T681 PolarHBondContact O-OG1 2.97Å; S678-T681 WeakPolarHBondContact CA-OG1 3.48Å; S678-T681 PolarHBondContact O-OG1 3.39Å; S678-T681 VanDerWaalsContact O-OG1 3.13Å; T681-S683 VanDerWaalsContact C-N 3.34Å; T681-S683 PolarHBondContact O-N 2.87Å; T681-N684 PolarHBondContact O-N 3.4Å; T681-I685 WeakPolarHBondContact O-CB 3.43Å; T681-I685 WeakPolarHBondContact O-CD1 3.2Å; T681-I685 WeakPolarHBondContact O-CG1 3.44Å; T681-I685 PolarHBondContact O-N 3.33Å
682A51.1Low58.7Low41 Ų41107.3 Ų107.334%0.33959%0.594SS.*Hα-helixtrans-60.5-42.8170.900000111.7S678 I685 L686S678-A682 WeakPolarHBondContact O-CB 3.4Å; S678-A682 PolarHBondContact O-N 3.22Å; A682-I685 PolarHBondContact O-N 2.83Å; A682-L686 WeakPolarHBondContact O-CB 3.37Å; A682-L686 WeakPolarHBondContact O-CD1 3.26Å; A682-L686 PolarHBondContact O-N 3.25Å
683S53.5Low57.2Low59 Ų59105.3 Ų105.341%0.41359%0.59SS.*Hα-helixtrans-69.9-34.7177.265.60000112.8M679 K680 T681 L686 C687M679-S683 WeakPolarHBondContact O-CB 3.41Å; M679-S683 PolarHBondContact O-N 2.89Å; M679-S683 PolarHBondContact O-OG 2.96Å; K680-S683 VanDerWaalsContact CA-OG 3.28Å; K680-S683 WeakPolarHBondContact CA-OG 3.42Å; K680-S683 PolarHBondContact O-OG 2.83Å; T681-S683 VanDerWaalsContact C-N 3.34Å; T681-S683 PolarHBondContact O-N 2.87Å; S683-L686 CarbonylContact O-C 3.58Å; S683-L686 PolarHBondContact O-N 3.13Å; S683-C687 WeakPolarHBondContact O-CB 3.41Å; S683-C687 PolarHBondContact O-N 3Å
684N50.4Low55.6Low104 Ų104106 Ų10656%0.55660%0.596SS**Hα-helixtrans-72.3-35.4175.4-76.5-4.9000112K680 T681 L686 C687 C688K680-N684 VanDerWaalsContact O-CB 3.27Å; K680-N684 WeakPolarHBondContact O-CB 3.3Å; K680-N684 PolarHBondContact O-N 3.02Å; T681-N684 PolarHBondContact O-N 3.4Å; N684-L686 VanDerWaalsContact C-N 3.28Å; N684-C687 PolarHBondContact O-N 3.37Å; N684-C688 PolarHBondContact O-N 2.87Å
685I51Low54Low128 Ų128101.4 Ų101.466%0.65659%0.591SS**Hα-helixtrans-71.8-26.3173.8-65.8164000110.8T681 A682T681-I685 WeakPolarHBondContact O-CB 3.43Å; T681-I685 WeakPolarHBondContact O-CD1 3.2Å; T681-I685 WeakPolarHBondContact O-CG1 3.44Å; T681-I685 PolarHBondContact O-N 3.33Å; A682-I685 PolarHBondContact O-N 2.83Å
686L46.7Very low52.5Low151 Ų151103.6 Ų103.679%0.79160%0.598SS**Hα-helixtrans-84.6-12.2171.8-84.3153.1000113.8A682 S683 N684A682-L686 WeakPolarHBondContact O-CB 3.37Å; A682-L686 WeakPolarHBondContact O-CD1 3.26Å; A682-L686 PolarHBondContact O-N 3.25Å; S683-L686 CarbonylContact O-C 3.58Å; S683-L686 PolarHBondContact O-N 3.13Å; N684-L686 VanDerWaalsContact C-N 3.28Å
687C44.6Very low51.3Low117 Ų117109.5 Ų109.579%0.79162%0.62SS**Hα-helixtrans-100.5-6.6176.3-107.60000114.1S683 N684S683-C687 WeakPolarHBondContact O-CB 3.41Å; S683-C687 PolarHBondContact O-N 3Å; N684-C687 PolarHBondContact O-N 3.37Å
688C39.9Very low50.7Low168 Ų168107.2 Ų107.2100%1.13562%0.622SS**  trans-104.90170.1-69.60000109.5N684N684-C688 PolarHBondContact O-N 2.87Å

Retrieved 688 of 688 residues in 395.4 ms (Link to these results)

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