A0A087YLY9_POEFO Loading...

Growth arrest specific 7

AlphaFold DB , UniProt , Accession A0A087YLY9, Species POEFO (Poecilia formosa, Amazon molly), Gene GAS7, Length 474 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
1M57.1Low78Confident119 Ų11967.7 Ų67.759%0.58637%0.371SS*.  0-31.50-68.4-77.6-99.900112.2G3 S4 A34 W40 V58M1-G3 PolarHBondContact O-N 3.31Å; M1-S4 WeakPolarHBondContact O-CB 3.32Å; M1-S4 PolarHBondContact O-N 3.14Å; M1-S4 PolarHBondContact O-OG 3.16Å; M1-A34 HydrophobicContact CB-CB 3.9Å; M1-A34 HydrophobicContact CG-CB 4.46Å; M1-W40 HydrophobicContact CE-CH2 3.49Å; M1-W40 VanDerWaalsContact CE-CH2 3.49Å; M1-W40 HydrophobicContact CE-CZ2 3.38Å; M1-W40 HydrophobicContact CE-CZ3 4.3Å; M1-V58 HydrophobicContact CE-CG2 4.28Å
2S47.9Very low78.9Confident100 Ų10064.5 Ų64.570%0.69935%0.35SS*.THydrogen-bonded Turntrans-59.9124.2170.6-167.90000110.5T32S2-T32 VanDerWaalsContact CB-O 3.25Å; S2-T32 WeakPolarHBondContact CB-O 3.47Å; S2-T32 PolarHBondContact OG-O 2.79Å
3G63Low79.4Confident40 Ų4064 Ų6441%0.41236%0.355SS..THydrogen-bonded Turntrans94.9-1.8-177.700000116M1 V31M1-G3 PolarHBondContact O-N 3.31Å; G3-V31 PolarHBondContact N-O 3.44Å
4S80.3Confident79Confident39 Ų3959.7 Ų59.727%0.27333%0.332SS..  trans-76.2151.6173-64.10000111.2M1 V31M1-S4 WeakPolarHBondContact O-CB 3.32Å; M1-S4 PolarHBondContact O-N 3.14Å; M1-S4 PolarHBondContact O-OG 3.16Å; S4-V31 PolarHBondContact O-N 3.19Å
5F86.2Confident78.4Confident72 Ų7267.6 Ų67.632%0.31637%0.365SS..EExtended strand (participates in β ladder)trans-102.1145.7172-68-89.7000109.3I28 I29 K30 L59F5-I28 HydrophobicContact CB-CG2 4.08Å; F5-I28 HydrophobicContact CD1-CG2 3.84Å; F5-I28 HydrophobicContact CG-CG2 4.38Å; F5-I29 CarbonylContact C-O 3.5Å; F5-I29 WeakPolarHBondContact CA-O 3.48Å; F5-K30 HydrophobicContact CD1-CB 3.99Å; F5-K30 HydrophobicContact CD1-CG 4.36Å; F5-K30 HydrophobicContact CE1-CB 3.75Å; F5-K30 HydrophobicContact CE1-CD 4.26Å; F5-K30 HydrophobicContact CE1-CG 3.94Å; F5-K30 HydrophobicContact CZ-CB 4.46Å; F5-K30 HydrophobicContact CZ-CD 4.22Å; F5-K30 HydrophobicContact CZ-CG 4.15Å; F5-L59 WeakPolarHBondContact O-CA 3.48Å; F5-L59 WeakPolarHBondContact O-CB 3.47Å; F5-L59 PolarHBondContact O-N 2.76Å
6C88.7Confident77.2Confident0 Ų074 Ų740%039%0.392CS..EExtended strand (participates in β ladder)trans-131.6147.3173.659.90000110.1I28 I29 V31 V56 Q57C6-I28 WeakPolarHBondContact O-CA 3.49Å; C6-I29 PolarHBondContact N-O 2.88Å; C6-I29 PolarHBondContact O-N 3.07Å; C6-I29 PolarHBondContact SG-O 3.28Å; C6-V31 HydrophobicContact CB-CG2 4.28Å; C6-V56 HydrophobicContact CB-CB 3.87Å; C6-V56 HydrophobicContact CB-CG2 3.89Å; C6-Q57 CarbonylContact C-O 3.59Å; C6-Q57 WeakPolarHBondContact CA-O 3.43Å; C6-Q57 WeakPolarHBondContact CB-O 3.41Å
7K90.6Very high76.4Confident93 Ų9374.8 Ų74.840%0.40439%0.393SS..EExtended strand (participates in β ladder)trans-97.2130.1173.8-176.6170.3-177.5179.70109.5G26 E27 I28 V56 Q57 L59K7-G26 WeakPolarHBondContact CE-O 3.48Å; K7-E27 CarbonylContact C-O 3.57Å; K7-E27 WeakPolarHBondContact CA-O 3.22Å; K7-I28 HydrophobicContact CB-CD1 3.64Å; K7-I28 HydrophobicContact CD-CD1 4.21Å; K7-I28 HydrophobicContact CG-CD1 3.79Å; K7-V56 CarbonylContact O-C 3.46Å; K7-V56 VanDerWaalsContact O-CA 3.26Å; K7-V56 WeakPolarHBondContact O-CA 3.2Å; K7-Q57 PolarHBondContact N-O 3.32Å; K7-Q57 PolarHBondContact O-N 2.89Å; K7-L59 HydrophobicContact CB-CD1 4.22Å; K7-L59 HydrophobicContact CB-CD2 4.24Å; K7-L59 HydrophobicContact CB-CG 4.34Å
8T87.6Confident75.2Confident2 Ų282.3 Ų82.31%0.01243%0.426CS..EExtended strand (participates in β ladder)trans-70.5136176.363.60000109.7F23 E24 G26 E27 I29 Y55 V56T8-F23 HydrophobicContact CG2-CB 4.26Å; T8-F23 HydrophobicContact CG2-CD1 4.39Å; T8-F23 HydrophobicContact CG2-CD2 3.23Å; T8-F23 HydrophobicContact CG2-CE2 3.48Å; T8-F23 VanDerWaalsContact CG2-CE2 3.48Å; T8-F23 HydrophobicContact CG2-CG 3.73Å; T8-F23 HydrophobicContact CG2-CZ 4.14Å; T8-E24 WeakPolarHBondContact CB-O 3.45Å; T8-E24 PolarHBondContact OG1-O 3.25Å; T8-G26 WeakPolarHBondContact O-CA 3.32Å; T8-G26 PolarHBondContact O-N 3.42Å; T8-G26 PolarHBondContact OG1-N 3.28Å; T8-E27 HydrophobicContact CG2-CB 4.43Å; T8-E27 PolarHBondContact N-O 2.93Å; T8-E27 PolarHBondContact OG1-N 3.49Å; T8-E27 PolarHBondContact OG1-O 3.27Å; T8-I29 HydrophobicContact CG2-CD1 3.38Å; T8-I29 HydrophobicContact CG2-CG1 3.88Å; T8-Y55 CarbonylContact C-O 3.53Å; T8-Y55 WeakPolarHBondContact CA-O 3.5Å; T8-V56 HydrophobicContact CG2-CG1 4.07Å
9L83.6Confident75.3Confident74 Ų7485.3 Ų85.339%0.38744%0.437SS..SBendtrans-99.4-27.3179.2-61.2179.2000111.4Y55 Q57L9-Y55 PolarHBondContact N-O 3Å; L9-Q57 HydrophobicContact CD1-CB 4.22Å; L9-Q57 HydrophobicContact CD2-CB 4.07Å; L9-Q57 HydrophobicContact CG-CB 4.26Å
10Y83.9Confident75.6Confident137 Ų13782 Ų8254%0.53743%0.426SS..SBendtrans-139.7153.3-177.3-52.6-70.6000109.8F23Y10-F23 WeakPolarHBondContact O-CE2 3.38Å
11P89Confident76.1Confident69 Ų6978.4 Ų78.445%0.44841%0.407SS..  trans-70.4150.9173.831.7-35.6000111.5F23 E24P11-F23 CarbonylContact C-O 3.49Å; P11-F23 VanDerWaalsContact CA-O 3.27Å; P11-F23 WeakPolarHBondContact CA-O 3.34Å; P11-E24 WeakPolarHBondContact CB-OE2 3.35Å
12F89.1Confident77.7Confident29 Ų2975.6 Ų75.613%0.12740%0.399CS..BIsolated β-bridgetrans-143.3130.7178.8179.9-104.6000110.3L21 S22 F23 W39 F51 P52 Y55F12-L21 VanDerWaalsContact CD1-O 3.24Å; F12-L21 WeakPolarHBondContact CD1-O 3.44Å; F12-S22 CarbonylContact O-C 3.5Å; F12-S22 VanDerWaalsContact O-CA 3.27Å; F12-S22 WeakPolarHBondContact O-CA 3.44Å; F12-F23 HydrophobicContact CB-CD1 4.46Å; F12-F23 HydrophobicContact CB-CD2 4.04Å; F12-F23 HydrophobicContact CB-CE1 4.03Å; F12-F23 HydrophobicContact CB-CE2 3.55Å; F12-F23 HydrophobicContact CB-CG 4.5Å; F12-F23 HydrophobicContact CB-CZ 3.56Å; F12-F23 AromaticContact CD1-CE1 3.98Å; F12-F23 HydrophobicContact CD1-CE1 3.98Å; F12-F23 HydrophobicContact CD1-CZ 4.18Å; F12-F23 HydrophobicContact CG-CE1 4.38Å; F12-F23 HydrophobicContact CG-CZ 4.13Å; F12-F23 PolarHBondContact N-O 3.18Å; F12-F23 PolarHBondContact O-N 3.41Å; F12-W39 HydrophobicContact CE2-CH2 4.48Å; F12-W39 HydrophobicContact CZ-CH2 4.09Å; F12-W39 HydrophobicContact CZ-CZ3 4.02Å; F12-F51 HydrophobicContact CD1-CB 4.03Å; F12-F51 HydrophobicContact CE1-CB 4.06Å; F12-P52 HydrophobicContact CD2-CG 4.44Å; F12-P52 HydrophobicContact CE2-CG 4.08Å; F12-Y55 HydrophobicContact CB-CD1 4.25Å
13S85.6Confident79.7Confident58 Ų5871.2 Ų71.241%0.40637%0.368SS..  trans-103.7116.5175.7-176.30000110.4E15S13-E15 PolarHBondContact O-N 2.91Å
14G73.6Confident81Confident4 Ų475.2 Ų75.24%0.04138%0.376CS..G310 helixtrans-71.4-10.6178.900000114.5Q16 H17 S22G14-Q16 PolarHBondContact O-N 3.38Å; G14-Q16 VanDerWaalsContact O-N 3.11Å; G14-H17 CarbonylContact O-C 3.58Å; G14-H17 PolarHBondContact O-N 2.89Å; G14-S22 PolarHBondContact N-OG 3.37Å
15E69.4Low81.3Confident178 Ų17875.9 Ų75.983%0.83238%0.383SS*.G310 helixtrans-61.3-24.2-173.9-66.2-179.9174.400114.1S13 H17S13-E15 PolarHBondContact O-N 2.91Å; E15-H17 PolarHBondContact O-N 3.03Å
16Q60.1Low81.3Confident170 Ų17074.2 Ų74.279%0.79439%0.387SS*.G310 helixtrans-76.6-8.8176.5-70.2176.3-1500113.5G14G14-Q16 PolarHBondContact O-N 3.38Å; G14-Q16 VanDerWaalsContact O-N 3.11Å
17H62.8Low81.3Confident88 Ų8877 Ų7741%0.40740%0.399SS..SBendtrans-133.2124.4-179.7-64.375000109.2G14 E15 Q19 G20 W39G14-H17 CarbonylContact O-C 3.58Å; G14-H17 PolarHBondContact O-N 2.89Å; E15-H17 PolarHBondContact O-N 3.03Å; H17-Q19 PolarHBondContact O-N 3.49Å; H17-G20 PolarHBondContact O-N 3.3Å; H17-W39 AromaticContact CE1-CH2 3.94Å; H17-W39 AromaticContact NE2-CH2 3.76Å
18Q55.9Low81.3Confident210 Ų21076.4 Ų76.498%0.98140%0.4SS*.THydrogen-bonded Turntrans-56.7-9.5-175.4-77-178.4-3.900115.4
19Q76.1Confident81.4Confident138 Ų13876.3 Ų76.365%0.64540%0.399SS*.THydrogen-bonded Turntrans-132.725.1175-58.3-1762.100113H17 G49 W50H17-Q19 PolarHBondContact O-N 3.49Å; Q19-G49 CarbonylContact O-C 3.59Å; Q19-G49 WeakPolarHBondContact O-CA 3.36Å; Q19-W50 PolarHBondContact O-N 3.03Å
20G80.8Confident81.8Confident20 Ų2077 Ų7721%0.20640%0.399CS..BIsolated β-bridgetrans-78.2139.7-178.600000113.4H17 W50H17-G20 PolarHBondContact O-N 3.3Å; G20-W50 WeakPolarHBondContact CA-O 3.27Å
21L87.3Confident82.1Confident7 Ų770.5 Ų70.54%0.03737%0.374CS..  trans-94.2115.3176.4-176.871.1000110.7F12 F23 I29 K44 A47 W50 F51F12-L21 VanDerWaalsContact CD1-O 3.24Å; F12-L21 WeakPolarHBondContact CD1-O 3.44Å; L21-F23 HydrophobicContact CG-CD1 4.41Å; L21-F23 WeakPolarHBondContact O-CD1 3.31Å; L21-F23 WeakPolarHBondContact O-CE1 3.42Å; L21-I29 HydrophobicContact CD2-CD1 4.15Å; L21-I29 HydrophobicContact CD2-CG2 3.85Å; L21-K44 HydrophobicContact CD1-CB 4.46Å; L21-K44 HydrophobicContact CD2-CB 4.21Å; L21-A47 HydrophobicContact CD1-CB 4.17Å; L21-A47 WeakPolarHBondContact CD1-O 3.34Å; L21-W50 PolarHBondContact N-O 3.5Å; L21-F51 HydrophobicContact CB-CD1 4.36Å; L21-F51 HydrophobicContact CD2-CD1 4.03Å; L21-F51 HydrophobicContact CD2-CE1 4.15Å
22S90Very high81.9Confident60 Ų6068.5 Ų68.542%0.4236%0.36SS..  trans-81.1139.4178.6-55.80000113.3F12 G14F12-S22 CarbonylContact O-C 3.5Å; F12-S22 VanDerWaalsContact O-CA 3.27Å; F12-S22 WeakPolarHBondContact O-CA 3.44Å; G14-S22 PolarHBondContact N-OG 3.37Å
23F89.6Confident81.5Confident8 Ų871.5 Ų71.54%0.03538%0.375CS..BIsolated β-bridgetrans-159.5159.3176.651.2-100.2000112.9T8 Y10 P11 F12 L21 E27 I29 K44 F51 V56T8-F23 HydrophobicContact CG2-CB 4.26Å; T8-F23 HydrophobicContact CG2-CD1 4.39Å; T8-F23 HydrophobicContact CG2-CD2 3.23Å; T8-F23 HydrophobicContact CG2-CE2 3.48Å; T8-F23 VanDerWaalsContact CG2-CE2 3.48Å; T8-F23 HydrophobicContact CG2-CG 3.73Å; T8-F23 HydrophobicContact CG2-CZ 4.14Å; Y10-F23 WeakPolarHBondContact O-CE2 3.38Å; P11-F23 CarbonylContact C-O 3.49Å; P11-F23 VanDerWaalsContact CA-O 3.27Å; P11-F23 WeakPolarHBondContact CA-O 3.34Å; F12-F23 HydrophobicContact CB-CD1 4.46Å; F12-F23 HydrophobicContact CB-CD2 4.04Å; F12-F23 HydrophobicContact CB-CE1 4.03Å; F12-F23 HydrophobicContact CB-CE2 3.55Å; F12-F23 HydrophobicContact CB-CG 4.5Å; F12-F23 HydrophobicContact CB-CZ 3.56Å; F12-F23 AromaticContact CD1-CE1 3.98Å; F12-F23 HydrophobicContact CD1-CE1 3.98Å; F12-F23 HydrophobicContact CD1-CZ 4.18Å; F12-F23 HydrophobicContact CG-CE1 4.38Å; F12-F23 HydrophobicContact CG-CZ 4.13Å; F12-F23 PolarHBondContact N-O 3.18Å; F12-F23 PolarHBondContact O-N 3.41Å; L21-F23 HydrophobicContact CG-CD1 4.41Å; L21-F23 WeakPolarHBondContact O-CD1 3.31Å; L21-F23 WeakPolarHBondContact O-CE1 3.42Å; F23-E27 VanDerWaalsContact CA-OE2 3.31Å; F23-E27 WeakPolarHBondContact CA-OE2 3.27Å; F23-E27 VanDerWaalsContact CB-OE2 3.23Å; F23-E27 WeakPolarHBondContact CB-OE2 3.44Å; F23-I29 HydrophobicContact CB-CD1 4.17Å; F23-I29 HydrophobicContact CD1-CD1 3.23Å; F23-I29 HydrophobicContact CD2-CD1 4.24Å; F23-I29 HydrophobicContact CE1-CD1 3.43Å; F23-I29 VanDerWaalsContact CE1-CD1 3.43Å; F23-I29 HydrophobicContact CE2-CD1 4.42Å; F23-I29 HydrophobicContact CG-CD1 3.64Å; F23-I29 HydrophobicContact CZ-CD1 4.04Å; F23-K44 HydrophobicContact CB-CD 4.19Å; F23-F51 HydrophobicContact CE1-CB 3.42Å; F23-F51 VanDerWaalsContact CE1-CB 3.42Å; F23-F51 HydrophobicContact CE1-CD1 4Å; F23-F51 HydrophobicContact CE1-CD2 4.05Å; F23-F51 AromaticContact CE1-CG 3.56Å; F23-F51 HydrophobicContact CE1-CG 3.56Å; F23-F51 HydrophobicContact CZ-CB 3.74Å; F23-F51 AromaticContact CZ-CD2 3.99Å; F23-F51 HydrophobicContact CZ-CD2 3.99Å; F23-F51 AromaticContact CZ-CG 3.92Å; F23-F51 HydrophobicContact CZ-CG 3.92Å; F23-V56 HydrophobicContact CZ-CG1 4.41Å
24E90.9Very high81.3Confident124 Ų12470.4 Ų70.458%0.57937%0.369SS*.  trans-95.6164.8172.2-70.3-60.4148.200111.5T8 P11 E27T8-E24 WeakPolarHBondContact CB-O 3.45Å; T8-E24 PolarHBondContact OG1-O 3.25Å; P11-E24 WeakPolarHBondContact CB-OE2 3.35Å; E24-E27 HydrophobicContact CB-CG 4.29Å; E24-E27 PolarHBondContact N-OE2 3.21Å; E24-E27 WeakPolarHBondContact O-CG 3.46Å
25A87.6Confident81.2Confident52 Ų5273.7 Ų73.743%0.4339%0.386SS..THydrogen-bonded Turntrans-67.4135.3175.800000112
26G84.7Confident80.7Confident38 Ų3872 Ų7239%0.39239%0.39SS..THydrogen-bonded Turntrans95.5-2176.900000115.4K7 T8K7-G26 WeakPolarHBondContact CE-O 3.48Å; T8-G26 WeakPolarHBondContact O-CA 3.32Å; T8-G26 PolarHBondContact O-N 3.42Å; T8-G26 PolarHBondContact OG1-N 3.28Å
27E88.6Confident80.9Confident57 Ų5767 Ų6727%0.26638%0.384SS..  trans-81159.4178.6-60-170.8120.800112.2K7 T8 F23 E24 K44K7-E27 CarbonylContact C-O 3.57Å; K7-E27 WeakPolarHBondContact CA-O 3.22Å; T8-E27 HydrophobicContact CG2-CB 4.43Å; T8-E27 PolarHBondContact N-O 2.93Å; T8-E27 PolarHBondContact OG1-N 3.49Å; T8-E27 PolarHBondContact OG1-O 3.27Å; F23-E27 VanDerWaalsContact CA-OE2 3.31Å; F23-E27 WeakPolarHBondContact CA-OE2 3.27Å; F23-E27 VanDerWaalsContact CB-OE2 3.23Å; F23-E27 WeakPolarHBondContact CB-OE2 3.44Å; E24-E27 HydrophobicContact CB-CG 4.29Å; E24-E27 PolarHBondContact N-OE2 3.21Å; E24-E27 WeakPolarHBondContact O-CG 3.46Å; E27-K44 VanDerWaalsContact OE1-CE 3.28Å; E27-K44 WeakPolarHBondContact OE1-CE 3.46Å; E27-K44 IonicContact OE1-NZ 3.23Å; E27-K44 PolarHBondContact OE1-NZ 3.01Å; E27-K44 VanDerWaalsContact OE2-CE 3.23Å; E27-K44 WeakPolarHBondContact OE2-CE 3.26Å; E27-K44 IonicContact OE2-NZ 3.3Å; E27-K44 PolarHBondContact OE2-NZ 2.95Å
28I91.3Very high81.7Confident81 Ų8164 Ų6442%0.41538%0.377SS..EExtended strand (participates in β ladder)trans-107.8127.1-179-55.1-55.1000110F5 C6 K7 L59F5-I28 HydrophobicContact CB-CG2 4.08Å; F5-I28 HydrophobicContact CD1-CG2 3.84Å; F5-I28 HydrophobicContact CG-CG2 4.38Å; C6-I28 WeakPolarHBondContact O-CA 3.49Å; K7-I28 HydrophobicContact CB-CD1 3.64Å; K7-I28 HydrophobicContact CD-CD1 4.21Å; K7-I28 HydrophobicContact CG-CD1 3.79Å; I28-L59 HydrophobicContact CD1-CD1 3.71Å
29I90.6Very high83.1Confident0 Ų058.2 Ų58.20%035%0.347CS..EExtended strand (participates in β ladder)trans-117.8137.5178.8-57174.2000109F5 C6 T8 L21 F23 K44 F51F5-I29 CarbonylContact C-O 3.5Å; F5-I29 WeakPolarHBondContact CA-O 3.48Å; C6-I29 PolarHBondContact N-O 2.88Å; C6-I29 PolarHBondContact O-N 3.07Å; C6-I29 PolarHBondContact SG-O 3.28Å; T8-I29 HydrophobicContact CG2-CD1 3.38Å; T8-I29 HydrophobicContact CG2-CG1 3.88Å; L21-I29 HydrophobicContact CD2-CD1 4.15Å; L21-I29 HydrophobicContact CD2-CG2 3.85Å; F23-I29 HydrophobicContact CB-CD1 4.17Å; F23-I29 HydrophobicContact CD1-CD1 3.23Å; F23-I29 HydrophobicContact CD2-CD1 4.24Å; F23-I29 HydrophobicContact CE1-CD1 3.43Å; F23-I29 VanDerWaalsContact CE1-CD1 3.43Å; F23-I29 HydrophobicContact CE2-CD1 4.42Å; F23-I29 HydrophobicContact CG-CD1 3.64Å; F23-I29 HydrophobicContact CZ-CD1 4.04Å; I29-K44 HydrophobicContact CG1-CB 4.33Å; I29-K44 HydrophobicContact CG1-CD 4.45Å; I29-F51 HydrophobicContact CB-CZ 4.38Å; I29-F51 HydrophobicContact CD1-CD1 4.47Å; I29-F51 HydrophobicContact CD1-CE1 4.23Å; I29-F51 HydrophobicContact CD1-CZ 4.31Å; I29-F51 HydrophobicContact CG2-CE1 3.63Å; I29-F51 HydrophobicContact CG2-CZ 3.82Å
30K91Very high83.8Confident88 Ų8853.1 Ų53.138%0.38332%0.321SS..EExtended strand (participates in β ladder)trans-88.4117.8172.2-174.9-177176.6-1720109.1F5 T32 G42 E43F5-K30 HydrophobicContact CD1-CB 3.99Å; F5-K30 HydrophobicContact CD1-CG 4.36Å; F5-K30 HydrophobicContact CE1-CB 3.75Å; F5-K30 HydrophobicContact CE1-CD 4.26Å; F5-K30 HydrophobicContact CE1-CG 3.94Å; F5-K30 HydrophobicContact CZ-CB 4.46Å; F5-K30 HydrophobicContact CZ-CD 4.22Å; F5-K30 HydrophobicContact CZ-CG 4.15Å; K30-T32 PolarHBondContact O-N 3.07Å; K30-G42 CarbonylContact O-C 3.57Å; K30-G42 WeakPolarHBondContact O-CA 3.45Å; K30-E43 PolarHBondContact N-O 2.71Å; K30-E43 VanDerWaalsContact N-O 3.11Å; K30-E43 PolarHBondContact O-N 3.41Å
31V89.4Confident84.2Confident2 Ų254.1 Ų54.11%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-74.9118.2178.4-177.10000109.5G3 S4 C6 A34 W40G3-V31 PolarHBondContact N-O 3.44Å; S4-V31 PolarHBondContact O-N 3.19Å; C6-V31 HydrophobicContact CB-CG2 4.28Å; V31-A34 HydrophobicContact CG1-CB 4.38Å; V31-W40 HydrophobicContact CG1-CE3 4.42Å; V31-W40 HydrophobicContact CG2-CE3 3.99Å; V31-W40 HydrophobicContact CG2-CZ3 4.43Å
32T84.9Confident84.3Confident26 Ų2653.8 Ų53.816%0.1632%0.319CS..EExtended strand (participates in β ladder)trans-89.6-41.6175.151.30000110.4S2 K30 E41 E43S2-T32 VanDerWaalsContact CB-O 3.25Å; S2-T32 WeakPolarHBondContact CB-O 3.47Å; S2-T32 PolarHBondContact OG-O 2.79Å; K30-T32 PolarHBondContact O-N 3.07Å; T32-E41 PolarHBondContact N-O 3.4Å; T32-E41 VanDerWaalsContact OG1-C 3.31Å; T32-E41 WeakPolarHBondContact OG1-CB 3.36Å; T32-E41 WeakPolarHBondContact OG1-CG 3.42Å; T32-E41 PolarHBondContact OG1-O 3.49Å; T32-E41 VanDerWaalsContact OG1-O 3.09Å; T32-E41 PolarHBondContact OG1-OE2 3.31Å; T32-E43 HydrophobicContact CG2-CB 4.27Å
33Q81.1Confident84.3Confident92 Ų9253.7 Ų53.743%0.4331%0.312SS..EExtended strand (participates in β ladder)trans-144.2142.6-178.7-171.8171.7-11.100111.3W40 E41 W50Q33-W40 CarbonylContact O-C 3.6Å; Q33-W40 WeakPolarHBondContact O-CA 3.47Å; Q33-E41 HydrophobicContact CB-CB 3.99Å; Q33-E41 PolarHBondContact N-O 3.21Å; Q33-E41 PolarHBondContact O-N 2.95Å; Q33-W50 HydrophobicContact CB-CH2 4.31Å; Q33-W50 HydrophobicContact CG-CH2 4.17Å
34A80.9Confident84.2Confident35 Ų3555 Ų5529%0.28932%0.317SS..EExtended strand (participates in β ladder)trans-128113.8177.300000109.8M1 V31 W40M1-A34 HydrophobicContact CB-CB 3.9Å; M1-A34 HydrophobicContact CG-CB 4.46Å; V31-A34 HydrophobicContact CG1-CB 4.38Å; A34-W40 HydrophobicContact CB-CD2 4.18Å; A34-W40 HydrophobicContact CB-CG 3.96Å
35L71.3Confident83.8Confident74 Ų7456.1 Ų56.139%0.38733%0.327SS..  trans-89.9148.3178-61.9174.8000111.3G37 G38 W39 W50L35-G37 PolarHBondContact O-N 3.25Å; L35-G37 VanDerWaalsContact O-N 3.13Å; L35-G38 PolarHBondContact O-N 3.24Å; L35-W39 WeakPolarHBondContact CB-O 3.33Å; L35-W39 PolarHBondContact N-O 3.16Å; L35-W39 VanDerWaalsContact N-O 3.13Å; L35-W50 HydrophobicContact CD1-CE3 4.46Å; L35-W50 HydrophobicContact CD1-CH2 3.63Å; L35-W50 HydrophobicContact CD1-CZ3 3.55Å; L35-W50 HydrophobicContact CG-CH2 3.92Å; L35-W50 HydrophobicContact CG-CZ3 3.79Å
36P60.4Low83.4Confident141 Ų14156.7 Ų56.792%0.91634%0.338SS*.THydrogen-bonded Turntrans-62-18.5179.3-22.332.6000115G38P36-G38 VanDerWaalsContact C-N 3.25Å; P36-G38 PolarHBondContact O-N 3.01Å
37G64Low83.3Confident66 Ų6657.4 Ų57.468%0.6834%0.341SS*.THydrogen-bonded Turntrans-82.312.4179.500000115.2L35 W39L35-G37 PolarHBondContact O-N 3.25Å; L35-G37 VanDerWaalsContact O-N 3.13Å; G37-W39 PolarHBondContact O-N 2.94Å
38G79.2Confident83.4Confident25 Ų2562.5 Ų62.526%0.25836%0.358SS..SBendtrans82.25.8176.300000115.5L35 P36 S53L35-G38 PolarHBondContact O-N 3.24Å; P36-G38 VanDerWaalsContact C-N 3.25Å; P36-G38 PolarHBondContact O-N 3.01Å; G38-S53 PolarHBondContact O-N 3.46Å; G38-S53 PolarHBondContact O-OG 3.4Å
39W85.4Confident83.2Confident89 Ų8958.7 Ų58.734%0.33734%0.339SS..EExtended strand (participates in β ladder)trans-105126.3172.1-77.686.7000111F12 H17 L35 G37 W50 P52F12-W39 HydrophobicContact CE2-CH2 4.48Å; F12-W39 HydrophobicContact CZ-CH2 4.09Å; F12-W39 HydrophobicContact CZ-CZ3 4.02Å; H17-W39 AromaticContact CE1-CH2 3.94Å; H17-W39 AromaticContact NE2-CH2 3.76Å; L35-W39 WeakPolarHBondContact CB-O 3.33Å; L35-W39 PolarHBondContact N-O 3.16Å; L35-W39 VanDerWaalsContact N-O 3.13Å; G37-W39 PolarHBondContact O-N 2.94Å; W39-W50 HydrophobicContact CB-CE3 4.38Å; W39-W50 HydrophobicContact CE3-CB 4.12Å; W39-W50 HydrophobicContact CZ3-CB 4.47Å; W39-P52 HydrophobicContact CE3-CG 4.46Å; W39-P52 HydrophobicContact CH2-CG 4.04Å; W39-P52 HydrophobicContact CZ2-CG 4.27Å; W39-P52 HydrophobicContact CZ3-CG 4.14Å
40W90.5Very high83.2Confident30 Ų3061 Ų6111%0.11435%0.347CS..EExtended strand (participates in β ladder)trans-116.3146-179.7-64.3-1.3000110.1M1 V31 Q33 A34 W50 F51 S53 V56 V58M1-W40 HydrophobicContact CE-CH2 3.49Å; M1-W40 VanDerWaalsContact CE-CH2 3.49Å; M1-W40 HydrophobicContact CE-CZ2 3.38Å; M1-W40 HydrophobicContact CE-CZ3 4.3Å; V31-W40 HydrophobicContact CG1-CE3 4.42Å; V31-W40 HydrophobicContact CG2-CE3 3.99Å; V31-W40 HydrophobicContact CG2-CZ3 4.43Å; Q33-W40 CarbonylContact O-C 3.6Å; Q33-W40 WeakPolarHBondContact O-CA 3.47Å; A34-W40 HydrophobicContact CB-CD2 4.18Å; A34-W40 HydrophobicContact CB-CG 3.96Å; W40-W50 CarbonylContact O-C 3.59Å; W40-W50 VanDerWaalsContact O-CA 3.32Å; W40-W50 WeakPolarHBondContact O-CA 3.46Å; W40-F51 HydrophobicContact CB-CE2 4.22Å; W40-F51 HydrophobicContact CB-CZ 4.23Å; W40-F51 HydrophobicContact CE3-CE2 4.46Å; W40-F51 PolarHBondContact N-O 2.8Å; W40-F51 PolarHBondContact O-N 3Å; W40-F51 VanDerWaalsContact O-O 3.13Å; W40-S53 VanDerWaalsContact CD2-CB 3.49Å; W40-S53 VanDerWaalsContact CZ2-CB 3.45Å; W40-V56 HydrophobicContact CE3-CG2 3.88Å; W40-V56 HydrophobicContact CZ3-CG2 3.69Å; W40-V58 HydrophobicContact CH2-CG2 3.38Å; W40-V58 HydrophobicContact CZ3-CG2 3.52Å
41E89.3Confident83.1Confident42 Ų4256.8 Ų56.820%0.19633%0.329CS..EExtended strand (participates in β ladder)trans-98137.6170-163.5-167.6-139.400108.1T32 Q33 G49 W50T32-E41 PolarHBondContact N-O 3.4Å; T32-E41 VanDerWaalsContact OG1-C 3.31Å; T32-E41 WeakPolarHBondContact OG1-CB 3.36Å; T32-E41 WeakPolarHBondContact OG1-CG 3.42Å; T32-E41 PolarHBondContact OG1-O 3.49Å; T32-E41 VanDerWaalsContact OG1-O 3.09Å; T32-E41 PolarHBondContact OG1-OE2 3.31Å; Q33-E41 HydrophobicContact CB-CB 3.99Å; Q33-E41 PolarHBondContact N-O 3.21Å; Q33-E41 PolarHBondContact O-N 2.95Å; E41-G49 WeakPolarHBondContact CA-O 3.49Å; E41-W50 HydrophobicContact CB-CD2 3.81Å; E41-W50 HydrophobicContact CB-CE3 3.76Å; E41-W50 HydrophobicContact CB-CH2 3.72Å; E41-W50 HydrophobicContact CB-CZ2 3.77Å; E41-W50 HydrophobicContact CB-CZ3 3.71Å; E41-W50 HydrophobicContact CG-CD2 4.15Å; E41-W50 HydrophobicContact CG-CZ2 4.12Å; E41-W50 VanDerWaalsContact N-CE3 3.34Å
42G90.5Very high83.1Confident0 Ų057.6 Ų57.60%033%0.334CS..EExtended strand (participates in β ladder)trans-147.2174.8172.100000113.5K30 R48 G49K30-G42 CarbonylContact O-C 3.57Å; K30-G42 WeakPolarHBondContact O-CA 3.45Å; G42-R48 WeakPolarHBondContact O-CA 3.41Å; G42-G49 PolarHBondContact N-O 3.48Å; G42-G49 PolarHBondContact O-N 3.14Å; G42-G49 VanDerWaalsContact O-N 3.16Å
43E89.9Confident83.3Confident57 Ų5757.8 Ų57.827%0.26634%0.337SS..EExtended strand (participates in β ladder)trans-122.8129.4-177.4-169.6-179.3134.600109.3K30 T32 A47 R48K30-E43 PolarHBondContact N-O 2.71Å; K30-E43 VanDerWaalsContact N-O 3.11Å; K30-E43 PolarHBondContact O-N 3.41Å; T32-E43 HydrophobicContact CG2-CB 4.27Å; E43-A47 VanDerWaalsContact CA-O 3.32Å; E43-A47 WeakPolarHBondContact CA-O 3.44Å; E43-R48 HydrophobicContact CB-CG 3.95Å; E43-R48 HydrophobicContact CG-CG 3.82Å; E43-R48 IonicContact OE2-CZ 3.24Å; E43-R48 VanDerWaalsContact OE2-CZ 3.23Å; E43-R48 IonicContact OE2-NE 3.25Å; E43-R48 PolarHBondContact OE2-NE 3.47Å; E43-R48 IonicContact OE2-NH2 2.78Å; E43-R48 PolarHBondContact OE2-NH2 2.99Å
44K87.1Confident83.6Confident35 Ų3557.4 Ų57.415%0.15234%0.344CS..EExtended strand (participates in β ladder)trans-141.6129.9175.5-174-163.6164.9-145.50108.5L21 F23 E27 I29 G46 A47L21-K44 HydrophobicContact CD1-CB 4.46Å; L21-K44 HydrophobicContact CD2-CB 4.21Å; F23-K44 HydrophobicContact CB-CD 4.19Å; E27-K44 VanDerWaalsContact OE1-CE 3.28Å; E27-K44 WeakPolarHBondContact OE1-CE 3.46Å; E27-K44 IonicContact OE1-NZ 3.23Å; E27-K44 PolarHBondContact OE1-NZ 3.01Å; E27-K44 VanDerWaalsContact OE2-CE 3.23Å; E27-K44 WeakPolarHBondContact OE2-CE 3.26Å; E27-K44 IonicContact OE2-NZ 3.3Å; E27-K44 PolarHBondContact OE2-NZ 2.95Å; I29-K44 HydrophobicContact CG1-CB 4.33Å; I29-K44 HydrophobicContact CG1-CD 4.45Å; K44-G46 PolarHBondContact O-N 3.31Å; K44-A47 PolarHBondContact N-O 3.45Å; K44-A47 PolarHBondContact O-N 2.98Å
45D82.9Confident83.9Confident148 Ų14859.9 Ų59.979%0.79135%0.347SS*.THydrogen-bonded Turntrans51.331.4179.3-54.5-37.7000114.9A47D45-A47 VanDerWaalsContact C-N 3.28Å; D45-A47 PolarHBondContact O-N 3.07Å
46G78.4Confident84.5Confident64 Ų6457 Ų5766%0.6633%0.332SS*.THydrogen-bonded Turntrans82.7-6.3-178.500000115.1K44K44-G46 PolarHBondContact O-N 3.31Å
47A82.4Confident85.8Confident54 Ų5455.8 Ų55.845%0.44631%0.314SS..EExtended strand (participates in β ladder)trans-90.4142171.800000110.9L21 E43 K44 D45L21-A47 HydrophobicContact CD1-CB 4.17Å; L21-A47 WeakPolarHBondContact CD1-O 3.34Å; E43-A47 VanDerWaalsContact CA-O 3.32Å; E43-A47 WeakPolarHBondContact CA-O 3.44Å; K44-A47 PolarHBondContact N-O 3.45Å; K44-A47 PolarHBondContact O-N 2.98Å; D45-A47 VanDerWaalsContact C-N 3.28Å; D45-A47 PolarHBondContact O-N 3.07Å
48R90.1Very high86.8Confident163 Ų16355.1 Ų55.162%0.61530%0.296SS*.EExtended strand (participates in β ladder)trans-117.9143.9176.6-72.1-173.2179.5169.84.3111.1G42 E43G42-R48 WeakPolarHBondContact O-CA 3.41Å; E43-R48 HydrophobicContact CB-CG 3.95Å; E43-R48 HydrophobicContact CG-CG 3.82Å; E43-R48 IonicContact OE2-CZ 3.24Å; E43-R48 VanDerWaalsContact OE2-CZ 3.23Å; E43-R48 IonicContact OE2-NE 3.25Å; E43-R48 PolarHBondContact OE2-NE 3.47Å; E43-R48 IonicContact OE2-NH2 2.78Å; E43-R48 PolarHBondContact OE2-NH2 2.99Å
49G87.8Confident86.9Confident2 Ų257.4 Ų57.42%0.02130%0.302CS..EExtended strand (participates in β ladder)trans178.1179.8173.700000113Q19 E41 G42Q19-G49 CarbonylContact O-C 3.59Å; Q19-G49 WeakPolarHBondContact O-CA 3.36Å; E41-G49 WeakPolarHBondContact CA-O 3.49Å; G42-G49 PolarHBondContact N-O 3.48Å; G42-G49 PolarHBondContact O-N 3.14Å; G42-G49 VanDerWaalsContact O-N 3.16Å
50W90.8Very high86.2Confident48 Ų4861.2 Ų61.218%0.18232%0.324CS..EExtended strand (participates in β ladder)trans-96.2145.2-172.9-65.690000112.5Q19 G20 L21 Q33 L35 W39 W40 E41Q19-W50 PolarHBondContact O-N 3.03Å; G20-W50 WeakPolarHBondContact CA-O 3.27Å; L21-W50 PolarHBondContact N-O 3.5Å; Q33-W50 HydrophobicContact CB-CH2 4.31Å; Q33-W50 HydrophobicContact CG-CH2 4.17Å; L35-W50 HydrophobicContact CD1-CE3 4.46Å; L35-W50 HydrophobicContact CD1-CH2 3.63Å; L35-W50 HydrophobicContact CD1-CZ3 3.55Å; L35-W50 HydrophobicContact CG-CH2 3.92Å; L35-W50 HydrophobicContact CG-CZ3 3.79Å; W39-W50 HydrophobicContact CB-CE3 4.38Å; W39-W50 HydrophobicContact CE3-CB 4.12Å; W39-W50 HydrophobicContact CZ3-CB 4.47Å; W40-W50 CarbonylContact O-C 3.59Å; W40-W50 VanDerWaalsContact O-CA 3.32Å; W40-W50 WeakPolarHBondContact O-CA 3.46Å; E41-W50 HydrophobicContact CB-CD2 3.81Å; E41-W50 HydrophobicContact CB-CE3 3.76Å; E41-W50 HydrophobicContact CB-CH2 3.72Å; E41-W50 HydrophobicContact CB-CZ2 3.77Å; E41-W50 HydrophobicContact CB-CZ3 3.71Å; E41-W50 HydrophobicContact CG-CD2 4.15Å; E41-W50 HydrophobicContact CG-CZ2 4.12Å; E41-W50 VanDerWaalsContact N-CE3 3.34Å
51F89.6Confident83.9Confident0 Ų069.8 Ų69.80%036%0.357CS..EExtended strand (participates in β ladder)trans-152.6158.2175.261.6-89.7000112.4F12 L21 F23 I29 W40 V56F12-F51 HydrophobicContact CD1-CB 4.03Å; F12-F51 HydrophobicContact CE1-CB 4.06Å; L21-F51 HydrophobicContact CB-CD1 4.36Å; L21-F51 HydrophobicContact CD2-CD1 4.03Å; L21-F51 HydrophobicContact CD2-CE1 4.15Å; F23-F51 HydrophobicContact CE1-CB 3.42Å; F23-F51 VanDerWaalsContact CE1-CB 3.42Å; F23-F51 HydrophobicContact CE1-CD1 4Å; F23-F51 HydrophobicContact CE1-CD2 4.05Å; F23-F51 AromaticContact CE1-CG 3.56Å; F23-F51 HydrophobicContact CE1-CG 3.56Å; F23-F51 HydrophobicContact CZ-CB 3.74Å; F23-F51 AromaticContact CZ-CD2 3.99Å; F23-F51 HydrophobicContact CZ-CD2 3.99Å; F23-F51 AromaticContact CZ-CG 3.92Å; F23-F51 HydrophobicContact CZ-CG 3.92Å; I29-F51 HydrophobicContact CB-CZ 4.38Å; I29-F51 HydrophobicContact CD1-CD1 4.47Å; I29-F51 HydrophobicContact CD1-CE1 4.23Å; I29-F51 HydrophobicContact CD1-CZ 4.31Å; I29-F51 HydrophobicContact CG2-CE1 3.63Å; I29-F51 HydrophobicContact CG2-CZ 3.82Å; W40-F51 HydrophobicContact CB-CE2 4.22Å; W40-F51 HydrophobicContact CB-CZ 4.23Å; W40-F51 HydrophobicContact CE3-CE2 4.46Å; W40-F51 PolarHBondContact N-O 2.8Å; W40-F51 PolarHBondContact O-N 3Å; W40-F51 VanDerWaalsContact O-O 3.13Å; F51-V56 HydrophobicContact CD2-CG1 3.8Å; F51-V56 HydrophobicContact CE2-CB 4.27Å; F51-V56 HydrophobicContact CE2-CG1 3.47Å; F51-V56 VanDerWaalsContact CE2-CG1 3.47Å; F51-V56 HydrophobicContact CE2-CG2 3.78Å; F51-V56 HydrophobicContact CZ-CG1 4.44Å
52P89.4Confident81.2Confident18 Ų1873.8 Ų73.812%0.11738%0.384CS..EExtended strand (participates in β ladder)trans-73.2136.8-179.8-15.730.7000112.4F12 W39 S54 Y55F12-P52 HydrophobicContact CD2-CG 4.44Å; F12-P52 HydrophobicContact CE2-CG 4.08Å; W39-P52 HydrophobicContact CE3-CG 4.46Å; W39-P52 HydrophobicContact CH2-CG 4.04Å; W39-P52 HydrophobicContact CZ2-CG 4.27Å; W39-P52 HydrophobicContact CZ3-CG 4.14Å; P52-S54 PolarHBondContact O-N 2.97Å; P52-Y55 HydrophobicContact CB-CD2 3.96Å; P52-Y55 HydrophobicContact CG-CD2 4.2Å; P52-Y55 PolarHBondContact O-N 3.39Å; P52-Y55 VanDerWaalsContact O-N 3.12Å
53S87.7Confident78.4Confident31 Ų3178.2 Ų78.222%0.21742%0.421CS..G310 helixtrans-66-23.4179.967.10000113.8G38 W40 Y55 V56G38-S53 PolarHBondContact O-N 3.46Å; G38-S53 PolarHBondContact O-OG 3.4Å; W40-S53 VanDerWaalsContact CD2-CB 3.49Å; W40-S53 VanDerWaalsContact CZ2-CB 3.45Å; S53-Y55 PolarHBondContact O-N 3.33Å; S53-V56 WeakPolarHBondContact O-CG2 3.21Å; S53-V56 PolarHBondContact O-N 3.18Å; S53-V56 VanDerWaalsContact O-O 3.07Å
54S88.4Confident75.5Confident83 Ų8381.1 Ų81.158%0.5845%0.447SS*.G310 helixtrans-69.8-16.6176.250.40000113.3P52 V56P52-S54 PolarHBondContact O-N 2.97Å; S54-V56 VanDerWaalsContact C-N 3.28Å
55Y86.4Confident72.9Confident88 Ų8887.7 Ų87.735%0.34548%0.483SS..G310 helixtrans-88-1.1179.5-81.5-123.1000112.3T8 L9 F12 P52 S53T8-Y55 CarbonylContact C-O 3.53Å; T8-Y55 WeakPolarHBondContact CA-O 3.5Å; L9-Y55 PolarHBondContact N-O 3Å; F12-Y55 HydrophobicContact CB-CD1 4.25Å; P52-Y55 HydrophobicContact CB-CD2 3.96Å; P52-Y55 HydrophobicContact CG-CD2 4.2Å; P52-Y55 PolarHBondContact O-N 3.39Å; P52-Y55 VanDerWaalsContact O-N 3.12Å; S53-Y55 PolarHBondContact O-N 3.33Å
56V84.5Confident70.2Confident12 Ų1285.2 Ų85.27%0.07348%0.477CS..EExtended strand (participates in β ladder)trans-135.8151.5-175.2-55.50000111.7C6 K7 T8 F23 W40 F51 S53 S54C6-V56 HydrophobicContact CB-CB 3.87Å; C6-V56 HydrophobicContact CB-CG2 3.89Å; K7-V56 CarbonylContact O-C 3.46Å; K7-V56 VanDerWaalsContact O-CA 3.26Å; K7-V56 WeakPolarHBondContact O-CA 3.2Å; T8-V56 HydrophobicContact CG2-CG1 4.07Å; F23-V56 HydrophobicContact CZ-CG1 4.41Å; W40-V56 HydrophobicContact CE3-CG2 3.88Å; W40-V56 HydrophobicContact CZ3-CG2 3.69Å; F51-V56 HydrophobicContact CD2-CG1 3.8Å; F51-V56 HydrophobicContact CE2-CB 4.27Å; F51-V56 HydrophobicContact CE2-CG1 3.47Å; F51-V56 VanDerWaalsContact CE2-CG1 3.47Å; F51-V56 HydrophobicContact CE2-CG2 3.78Å; F51-V56 HydrophobicContact CZ-CG1 4.44Å; S53-V56 WeakPolarHBondContact O-CG2 3.21Å; S53-V56 PolarHBondContact O-N 3.18Å; S53-V56 VanDerWaalsContact O-O 3.07Å; S54-V56 VanDerWaalsContact C-N 3.28Å
57Q88.4Confident67.8Low117 Ų11790.6 Ų90.655%0.54749%0.485SS..EExtended strand (participates in β ladder)trans-109.5123.9170.4-175.4177.712.500109.2C6 K7 L9 L59C6-Q57 CarbonylContact C-O 3.59Å; C6-Q57 WeakPolarHBondContact CA-O 3.43Å; C6-Q57 WeakPolarHBondContact CB-O 3.41Å; K7-Q57 PolarHBondContact N-O 3.32Å; K7-Q57 PolarHBondContact O-N 2.89Å; L9-Q57 HydrophobicContact CD1-CB 4.22Å; L9-Q57 HydrophobicContact CD2-CB 4.07Å; L9-Q57 HydrophobicContact CG-CB 4.26Å; Q57-L59 PolarHBondContact O-N 3.16Å
58V84.4Confident65Low51 Ų5195.2 Ų95.231%0.30950%0.502SS..EExtended strand (participates in β ladder)trans-66.3129177.2-178.20000109.9M1 W40M1-V58 HydrophobicContact CE-CG2 4.28Å; W40-V58 HydrophobicContact CH2-CG2 3.38Å; W40-V58 HydrophobicContact CZ3-CG2 3.52Å
59L81.7Confident62.4Low73 Ų7393.3 Ų93.338%0.38251%0.511SS..EExtended strand (participates in β ladder)trans-93.6106.1172.3-57.3176.7000107.6F5 K7 I28 Q57 R61F5-L59 WeakPolarHBondContact O-CA 3.48Å; F5-L59 WeakPolarHBondContact O-CB 3.47Å; F5-L59 PolarHBondContact O-N 2.76Å; K7-L59 HydrophobicContact CB-CD1 4.22Å; K7-L59 HydrophobicContact CB-CD2 4.24Å; K7-L59 HydrophobicContact CB-CG 4.34Å; I28-L59 HydrophobicContact CD1-CD1 3.71Å; Q57-L59 PolarHBondContact O-N 3.16Å; L59-R61 PolarHBondContact O-N 3.14Å
60E69.8Low60.3Low170 Ų17099.3 Ų99.379%0.79455%0.546SS*.  trans-66.6128.8178.1-70-173.1165.200111.2
61R41.8Very low57.3Low210 Ų210106 Ų10679%0.79258%0.58SS**  trans-95.2100.3161.9-174-179.2-67-154.6-1107.3L59 A63L59-R61 PolarHBondContact O-N 3.14Å; R61-A63 PolarHBondContact O-N 3Å
62T34.2Very low54.5Low125 Ų125111 Ų11177%0.76761%0.607SS**  trans-70.4118.1176.2390000110.2
63A30.8Very low52.2Low94 Ų94118 Ų11878%0.77764%0.641SS**  trans-118.394.7162.600000108.1R61R61-A63 PolarHBondContact O-N 3Å
64S29.7Very low50.2Low118 Ų118127.8 Ų127.883%0.82567%0.673SS**  trans-146.7110.6160.6-56.40000108.4
65L31.1Very low48.4Very low172 Ų172128.8 Ų128.890%0.90167%0.669SS**  trans-46145.7166.3-70.9153000109.8
66S27Very low47.2Very low96 Ų96129.8 Ų129.867%0.67169%0.686SS**  cis-176.5149.316.338.80000109.4
67Q27.4Very low46.3Very low177 Ų177131.4 Ų131.483%0.82769%0.694SS**  trans74.297.9153.7-68.4176.5-8.200122.3
68L24.7Very low45.8Very low152 Ų152126.8 Ų126.880%0.79667%0.674SS**  58.9155.4129.9-61.7176.6000122.9
69P35.8Very low45.2Very low123 Ų123129.3 Ų129.380%0.79969%0.691SS**  cis-115.1163.6-2.532.6-14.9000115.6
70V43.5Very low44.7Very low127 Ų127131.4 Ų131.477%0.7770%0.699SS**  trans-84.2130.9178.2171.60000109.8
71E28Very low45.1Very low189 Ų189125.1 Ų125.188%0.88367%0.668SS**  trans162.8112.6154.3-94.6166.5-171.200104.3
72D30.5Very low46.2Very low106 Ų106120.4 Ų120.457%0.56765%0.654SS**  -172.7106.765-174.15.7000109.7
73I41.1Very low47.7Very low164 Ų164117.2 Ų117.284%0.84164%0.636SS**  trans-128.240.5173.7-45.4175.2000109.5
74R44.6Very low49.2Very low237 Ų237117.4 Ų117.489%0.89462%0.617SS**  trans-112.2-14.7177.9-76.1-169.4178.5-160.21.3116.1
75E50.2Low50.5Low104 Ų104118 Ų11849%0.48661%0.608SS.*SBendtrans-96.5130.1177.9-64.1-167.5166.500112.2R105E75-R105 PolarHBondContact O-NH2 2.97Å
76P62.4Low51.6Low108 Ų108110.4 Ų110.470%0.70157%0.57SS**PPolyproline II helixtrans-68.8147.9170.526.7-30.7000110.7
77L65.7Low52.3Low46 Ų46112 Ų11224%0.24158%0.578CS.*PPolyproline II helixtrans-62.2149.1176-68.8170.2000110.4W81 C83 Y93 R105L77-W81 HydrophobicContact CB-CB 4.15Å; L77-C83 HydrophobicContact CD1-CB 4.19Å; L77-Y93 HydrophobicContact CD1-CD1 3.84Å; L77-Y93 HydrophobicContact CD1-CE1 4.07Å; L77-Y93 HydrophobicContact CD2-CD1 3.76Å; L77-Y93 HydrophobicContact CD2-CE1 3.79Å; L77-Y93 HydrophobicContact CG-CD1 4.49Å; L77-R105 HydrophobicContact CD2-CG 3.71Å
78P77.7Confident53Low20 Ų20110.9 Ų110.913%0.1357%0.572CS.*PPolyproline II helixtrans-56.3155174.1-21.631.7000111.8H80 W81 P106P78-H80 PolarHBondContact O-N 3.17Å; P78-W81 WeakPolarHBondContact O-CB 3.01Å; P78-W81 PolarHBondContact O-N 3.09Å; P78-P106 VanDerWaalsContact CD-O 3.26Å; P78-P106 WeakPolarHBondContact CD-O 2.89Å; P78-P106 HydrophobicContact CG-CB 4.35Å
79P71Confident54.3Low104 Ų104106 Ų10668%0.67556%0.559SS**THydrogen-bonded Turntrans-50.9138.3179.8-2633.9000112W81P79-W81 PolarHBondContact O-N 2.96Å
80H72.8Confident54.8Low118 Ų118107.2 Ų107.255%0.54655%0.551SS.*THydrogen-bonded Turntrans71.2-0.8-177.3-45.2-69000116.2P78 N95 T96 A97P78-H80 PolarHBondContact O-N 3.17Å; H80-N95 WeakPolarHBondContact CB-OD1 3.42Å; H80-N95 CarbonylContact O-C 3.55Å; H80-N95 VanDerWaalsContact O-CA 3.29Å; H80-N95 WeakPolarHBondContact O-CA 3.33Å; H80-T96 PolarHBondContact O-N 3.14Å; H80-T96 PolarHBondContact O-OG1 3Å; H80-T96 VanDerWaalsContact O-OG1 3.11Å; H80-A97 HydrophobicContact CB-CB 3.8Å
81W76.6Confident55.9Low38 Ų38107.4 Ų107.414%0.14454%0.542CS..EExtended strand (participates in β ladder)trans-90.2129.7171.2-7386.7000112.4L77 P78 P79 Y93 V94 N95 E100 T102 P106L77-W81 HydrophobicContact CB-CB 4.15Å; P78-W81 WeakPolarHBondContact O-CB 3.01Å; P78-W81 PolarHBondContact O-N 3.09Å; P79-W81 PolarHBondContact O-N 2.96Å; W81-Y93 WeakPolarHBondContact CZ3-O 3.4Å; W81-V94 WeakPolarHBondContact CA-O 3.48Å; W81-V94 VanDerWaalsContact CE3-C 3.49Å; W81-N95 HydrophobicContact CD2-CB 3.69Å; W81-N95 HydrophobicContact CE3-CB 3.89Å; W81-N95 HydrophobicContact CG-CB 4.3Å; W81-N95 HydrophobicContact CH2-CB 3.89Å; W81-N95 HydrophobicContact CZ2-CB 3.69Å; W81-N95 HydrophobicContact CZ3-CB 3.96Å; W81-N95 PolarHBondContact NE1-ND2 3.09Å; W81-N95 VanDerWaalsContact NE1-ND2 3.2Å; W81-E100 HydrophobicContact CH2-CB 4.25Å; W81-E100 HydrophobicContact CH2-CG 4.16Å; W81-T102 HydrophobicContact CE3-CG2 4.42Å; W81-T102 HydrophobicContact CH2-CG2 3.75Å; W81-T102 HydrophobicContact CZ3-CG2 3.55Å; W81-P106 HydrophobicContact CB-CG 4.38Å; W81-P106 HydrophobicContact CD2-CB 4.06Å; W81-P106 HydrophobicContact CD2-CG 3.34Å; W81-P106 HydrophobicContact CE3-CB 4.48Å; W81-P106 HydrophobicContact CE3-CG 3.4Å; W81-P106 VanDerWaalsContact CE3-CG 3.4Å; W81-P106 HydrophobicContact CG-CB 4.4Å; W81-P106 HydrophobicContact CG-CG 3.84Å; W81-P106 HydrophobicContact CH2-CG 4.15Å; W81-P106 HydrophobicContact CZ2-CB 4.28Å; W81-P106 HydrophobicContact CZ2-CG 4.1Å; W81-P106 HydrophobicContact CZ3-CG 3.84Å
82K66.4Low57.7Low111 Ų111101.7 Ų101.748%0.48351%0.513SS..EExtended strand (participates in β ladder)trans-125.5140.1177.9-68.4-174-174.6178.80110.9Y84 Y93 V94 T96K82-Y84 HydrophobicContact CB-CD2 4.33Å; K82-Y84 HydrophobicContact CB-CE2 3.46Å; K82-Y84 VanDerWaalsContact CB-CE2 3.46Å; K82-Y84 WeakPolarHBondContact CD-OH 3.47Å; K82-Y84 WeakPolarHBondContact O-CD2 3.26Å; K82-Y93 CarbonylContact O-C 3.52Å; K82-Y93 WeakPolarHBondContact O-CA 3.08Å; K82-V94 PolarHBondContact N-O 3.01Å; K82-V94 PolarHBondContact O-N 3.21Å; K82-T96 HydrophobicContact CD-CG2 3.8Å; K82-T96 HydrophobicContact CG-CG2 4.12Å
83C65.5Low60.2Low58 Ų5898.2 Ų98.239%0.39249%0.492SS..EExtended strand (participates in β ladder)trans-91.4131.8177.8-175.80000110.3L77 Y93L77-C83 HydrophobicContact CD1-CB 4.19Å; C83-Y93 HydrophobicContact CB-CD1 3.78Å; C83-Y93 HydrophobicContact CB-CE1 3.65Å
84Y62.5Low61.3Low97 Ų9791.5 Ų91.538%0.3846%0.459SS..EExtended strand (participates in β ladder)trans-126.4164176.1-64.1-86.3000109.5K82 K91 Y92 V94K82-Y84 HydrophobicContact CB-CD2 4.33Å; K82-Y84 HydrophobicContact CB-CE2 3.46Å; K82-Y84 VanDerWaalsContact CB-CE2 3.46Å; K82-Y84 WeakPolarHBondContact CD-OH 3.47Å; K82-Y84 WeakPolarHBondContact O-CD2 3.26Å; Y84-K91 CarbonylContact O-C 3.47Å; Y84-K91 VanDerWaalsContact O-CA 3.25Å; Y84-K91 WeakPolarHBondContact O-CA 3.2Å; Y84-Y92 VanDerWaalsContact CB-CE1 3.47Å; Y84-Y92 VanDerWaalsContact CB-CZ 3.42Å; Y84-Y92 HydrophobicContact CD2-CE2 4.5Å; Y84-Y92 HydrophobicContact CG-CE2 4.5Å; Y84-Y92 PolarHBondContact N-O 2.92Å; Y84-Y92 PolarHBondContact O-N 3.49Å; Y84-V94 HydrophobicContact CD2-CB 4.05Å; Y84-V94 HydrophobicContact CD2-CG2 3.69Å; Y84-V94 HydrophobicContact CE2-CB 3.91Å; Y84-V94 HydrophobicContact CE2-CG2 4.02Å
85M56.7Low62.8Low132 Ų13281.2 Ų81.265%0.6542%0.421SS*.EExtended strand (participates in β ladder)trans-121.8126.9-179.9-163.5158.456.500108.4
86S53.4Low63.8Low12 Ų1279 Ų798%0.08442%0.415CS..  trans-70.4162.5-179.986.60000110.7Q88 G89 K90S86-Q88 PolarHBondContact O-N 3.37Å; S86-Q88 PolarHBondContact OG-N 3.39Å; S86-Q88 PolarHBondContact OG-OE1 2.85Å; S86-G89 PolarHBondContact O-N 3.48Å; S86-K90 PolarHBondContact N-O 3.41Å; S86-K90 PolarHBondContact OG-N 3.18Å
87P41.7Very low63.9Low130 Ų13077.3 Ų77.384%0.84441%0.41SS*.THydrogen-bonded Turntrans-57.5-16.4172.9-24.835000114.4
88Q43.4Very low63.9Low152 Ų15279.5 Ų79.571%0.7142%0.422SS*.THydrogen-bonded Turntrans-97.510.9175.1-53.679.425.300112.9S86 K90S86-Q88 PolarHBondContact O-N 3.37Å; S86-Q88 PolarHBondContact OG-N 3.39Å; S86-Q88 PolarHBondContact OG-OE1 2.85Å; Q88-K90 PolarHBondContact O-N 3.02Å
89G51.2Low63.3Low50 Ų5084.7 Ų84.752%0.51545%0.449SS..SBendtrans79.310.5176.200000115.4S86S86-G89 PolarHBondContact O-N 3.48Å
90K47Very low62.8Low148 Ų14884.8 Ų84.864%0.64344%0.44SS*.  trans-93.2133.3178.4-70.2-171.3177.5-1770111.2S86 Q88 W103S86-K90 PolarHBondContact N-O 3.41Å; S86-K90 PolarHBondContact OG-N 3.18Å; Q88-K90 PolarHBondContact O-N 3.02Å; K90-W103 HydrophobicContact CB-CZ3 4.14Å
91K66.8Low62.5Low131 Ų13183.3 Ų83.357%0.5744%0.44SS*.EExtended strand (participates in β ladder)trans-75.3138.8177.2-67.2178.8-177.2175.20110.7Y84Y84-K91 CarbonylContact O-C 3.47Å; Y84-K91 VanDerWaalsContact O-CA 3.25Å; Y84-K91 WeakPolarHBondContact O-CA 3.2Å
92Y65.7Low61.7Low70 Ų7083.5 Ų83.528%0.27545%0.445SS..EExtended strand (participates in β ladder)trans-137.9153.5170.668.8-78.3000109.7Y84 V94 W103Y84-Y92 VanDerWaalsContact CB-CE1 3.47Å; Y84-Y92 VanDerWaalsContact CB-CZ 3.42Å; Y84-Y92 HydrophobicContact CD2-CE2 4.5Å; Y84-Y92 HydrophobicContact CG-CE2 4.5Å; Y84-Y92 PolarHBondContact N-O 2.92Å; Y84-Y92 PolarHBondContact O-N 3.49Å; Y92-V94 HydrophobicContact CD2-CG2 3.63Å; Y92-V94 HydrophobicContact CE2-CG2 3.4Å; Y92-V94 VanDerWaalsContact CE2-CG2 3.4Å; Y92-W103 HydrophobicContact CD1-CH2 4.48Å; Y92-W103 HydrophobicContact CD1-CZ3 4.29Å; Y92-W103 HydrophobicContact CG-CH2 4.45Å; Y92-W103 HydrophobicContact CG-CZ3 4.27Å
93Y81.4Confident62.1Low32 Ų3286 Ų8613%0.12545%0.452CS..EExtended strand (participates in β ladder)trans-113.5136.4-175.7-55.1-89.1000109.3L77 W81 K82 C83 T101 T102 R105L77-Y93 HydrophobicContact CD1-CD1 3.84Å; L77-Y93 HydrophobicContact CD1-CE1 4.07Å; L77-Y93 HydrophobicContact CD2-CD1 3.76Å; L77-Y93 HydrophobicContact CD2-CE1 3.79Å; L77-Y93 HydrophobicContact CG-CD1 4.49Å; W81-Y93 WeakPolarHBondContact CZ3-O 3.4Å; K82-Y93 CarbonylContact O-C 3.52Å; K82-Y93 WeakPolarHBondContact O-CA 3.08Å; C83-Y93 HydrophobicContact CB-CD1 3.78Å; C83-Y93 HydrophobicContact CB-CE1 3.65Å; Y93-T101 CarbonylContact O-C 3.59Å; Y93-T101 VanDerWaalsContact O-CA 3.28Å; Y93-T101 WeakPolarHBondContact O-CA 3.38Å; Y93-T102 PolarHBondContact N-O 2.96Å; Y93-T102 PolarHBondContact O-N 3.38Å; Y93-R105 HydrophobicContact CE1-CG 4.05Å; Y93-R105 HydrophobicContact CE2-CB 3.87Å; Y93-R105 HydrophobicContact CE2-CG 4.25Å
94V64.3Low62.4Low24 Ų2490.9 Ų90.915%0.14547%0.469CS..EExtended strand (participates in β ladder)trans-125.1127.6-178.7-178.50000108.8W81 K82 Y84 Y92 E100 T101W81-V94 WeakPolarHBondContact CA-O 3.48Å; W81-V94 VanDerWaalsContact CE3-C 3.49Å; K82-V94 PolarHBondContact N-O 3.01Å; K82-V94 PolarHBondContact O-N 3.21Å; Y84-V94 HydrophobicContact CD2-CB 4.05Å; Y84-V94 HydrophobicContact CD2-CG2 3.69Å; Y84-V94 HydrophobicContact CE2-CB 3.91Å; Y84-V94 HydrophobicContact CE2-CG2 4.02Å; Y92-V94 HydrophobicContact CD2-CG2 3.63Å; Y92-V94 HydrophobicContact CE2-CG2 3.4Å; Y92-V94 VanDerWaalsContact CE2-CG2 3.4Å; V94-E100 CarbonylContact C-O 3.52Å; V94-E100 WeakPolarHBondContact CA-O 3.46Å; V94-T101 HydrophobicContact CB-CG2 4.3Å; V94-T101 HydrophobicContact CG1-CG2 4.06Å; V94-T101 HydrophobicContact CG2-CG2 3.79Å
95N76.8Confident63Low20 Ų2090.9 Ų90.911%0.10747%0.468CS..EExtended strand (participates in β ladder)trans-84.3111.1170.4-172.8-27.3000109.4H80 W81 A97 N98 N99 E100H80-N95 WeakPolarHBondContact CB-OD1 3.42Å; H80-N95 CarbonylContact O-C 3.55Å; H80-N95 VanDerWaalsContact O-CA 3.29Å; H80-N95 WeakPolarHBondContact O-CA 3.33Å; W81-N95 HydrophobicContact CD2-CB 3.69Å; W81-N95 HydrophobicContact CE3-CB 3.89Å; W81-N95 HydrophobicContact CG-CB 4.3Å; W81-N95 HydrophobicContact CH2-CB 3.89Å; W81-N95 HydrophobicContact CZ2-CB 3.69Å; W81-N95 HydrophobicContact CZ3-CB 3.96Å; W81-N95 PolarHBondContact NE1-ND2 3.09Å; W81-N95 VanDerWaalsContact NE1-ND2 3.2Å; N95-A97 PolarHBondContact O-N 2.85Å; N95-A97 WeakPolarHBondContact OD1-CB 3.3Å; N95-A97 PolarHBondContact OD1-N 3.14Å; N95-N98 WeakPolarHBondContact CB-OD1 3.35Å; N95-N98 PolarHBondContact ND2-OD1 2.91Å; N95-N99 WeakPolarHBondContact O-CA 3.44Å; N95-N99 PolarHBondContact O-N 3.42Å; N95-E100 HydrophobicContact CB-CB 4.24Å; N95-E100 PolarHBondContact N-O 3.08Å
96T71.8Confident63.5Low59 Ų5985.8 Ų85.836%0.36245%0.445SS..THydrogen-bonded Turntrans-74.6-5.1-176.961.70000113.9H80 K82H80-T96 PolarHBondContact O-N 3.14Å; H80-T96 PolarHBondContact O-OG1 3Å; H80-T96 VanDerWaalsContact O-OG1 3.11Å; K82-T96 HydrophobicContact CD-CG2 3.8Å; K82-T96 HydrophobicContact CG-CG2 4.12Å
97A64.2Low64.3Low72 Ų7289.8 Ų89.860%0.59547%0.473SS*.THydrogen-bonded Turntrans-93.4-34.4177.700000113H80 N95H80-A97 HydrophobicContact CB-CB 3.8Å; N95-A97 PolarHBondContact O-N 2.85Å; N95-A97 WeakPolarHBondContact OD1-CB 3.3Å; N95-A97 PolarHBondContact OD1-N 3.14Å
98N64.4Low64.9Low91 Ų9187 Ų8749%0.48746%0.457SS..THydrogen-bonded Turntrans-123.32.4-178.870.7-6.1000114N95 E100N95-N98 WeakPolarHBondContact CB-OD1 3.35Å; N95-N98 PolarHBondContact ND2-OD1 2.91Å; N98-E100 PolarHBondContact ND2-OE2 3.39Å; N98-E100 PolarHBondContact O-N 3.27Å; N98-E100 WeakPolarHBondContact OD1-CB 3.43Å; N98-E100 PolarHBondContact OD1-N 3.38Å
99N65.3Low65.2Low130 Ų13085.3 Ų85.370%0.69546%0.456SS*.  trans6023-176.9-64.4-31.9000115.2N95N95-N99 WeakPolarHBondContact O-CA 3.44Å; N95-N99 PolarHBondContact O-N 3.42Å
100E60.3Low64.7Low105 Ų10589.1 Ų89.149%0.49147%0.472SS..  trans-73.9141.6173.9-168.9176.7-179.500111W81 V94 N95 N98W81-E100 HydrophobicContact CH2-CB 4.25Å; W81-E100 HydrophobicContact CH2-CG 4.16Å; V94-E100 CarbonylContact C-O 3.52Å; V94-E100 WeakPolarHBondContact CA-O 3.46Å; N95-E100 HydrophobicContact CB-CB 4.24Å; N95-E100 PolarHBondContact N-O 3.08Å; N98-E100 PolarHBondContact ND2-OE2 3.39Å; N98-E100 PolarHBondContact O-N 3.27Å; N98-E100 WeakPolarHBondContact OD1-CB 3.43Å; N98-E100 PolarHBondContact OD1-N 3.38Å
101T68Low64.1Low88 Ų8885.4 Ų85.454%0.5448%0.475SS..EExtended strand (participates in β ladder)trans-127.2137.2179.168.90000111.1Y93 V94Y93-T101 CarbonylContact O-C 3.59Å; Y93-T101 VanDerWaalsContact O-CA 3.28Å; Y93-T101 WeakPolarHBondContact O-CA 3.38Å; V94-T101 HydrophobicContact CB-CG2 4.3Å; V94-T101 HydrophobicContact CG1-CG2 4.06Å; V94-T101 HydrophobicContact CG2-CG2 3.79Å
102T58.2Low62.5Low42 Ų4286 Ų8626%0.25849%0.49SS..EExtended strand (participates in β ladder)trans-137.7148.1176.1178.90000111W81 Y93 E104 P106W81-T102 HydrophobicContact CE3-CG2 4.42Å; W81-T102 HydrophobicContact CH2-CG2 3.75Å; W81-T102 HydrophobicContact CZ3-CG2 3.55Å; Y93-T102 PolarHBondContact N-O 2.96Å; Y93-T102 PolarHBondContact O-N 3.38Å; T102-E104 WeakPolarHBondContact CG2-O 3.38Å; T102-E104 PolarHBondContact OG1-N 2.95Å; T102-E104 VanDerWaalsContact OG1-N 3.12Å; T102-E104 PolarHBondContact OG1-O 3.39Å; T102-P106 HydrophobicContact CG2-CG 3.98Å
103W74.8Confident61.8Low163 Ų16388.1 Ų88.162%0.61751%0.513SS*.SBendtrans-87-17.5173.8-62.397.2000112.2K90 Y92K90-W103 HydrophobicContact CB-CZ3 4.14Å; Y92-W103 HydrophobicContact CD1-CH2 4.48Å; Y92-W103 HydrophobicContact CD1-CZ3 4.29Å; Y92-W103 HydrophobicContact CG-CH2 4.45Å; Y92-W103 HydrophobicContact CG-CZ3 4.27Å
104E71.7Confident59.5Low160 Ų16096.7 Ų96.775%0.74855%0.55SS**SBendtrans-96.5143.2175.6-64.3-174.7179.800110.3T102 P106T102-E104 WeakPolarHBondContact CG2-O 3.38Å; T102-E104 PolarHBondContact OG1-N 2.95Å; T102-E104 VanDerWaalsContact OG1-N 3.12Å; T102-E104 PolarHBondContact OG1-O 3.39Å; E104-P106 WeakPolarHBondContact O-CD 3.25Å
105R76.4Confident57.7Low97 Ų97101 Ų10137%0.36658%0.582SS.*PPolyproline II helixtrans-68.7120.9-176-169.1-177.9-166.3-160.84.1110.8E75 L77 Y93E75-R105 PolarHBondContact O-NH2 2.97Å; L77-R105 HydrophobicContact CD2-CG 3.71Å; Y93-R105 HydrophobicContact CE1-CG 4.05Å; Y93-R105 HydrophobicContact CE2-CB 3.87Å; Y93-R105 HydrophobicContact CE2-CG 4.25Å
106P67.3Low55.3Low26 Ų26104.5 Ų104.517%0.16961%0.608CS.*PPolyproline II helixtrans-69.6134.5178.23.33.9000111.7P78 W81 T102 E104P78-P106 VanDerWaalsContact CD-O 3.26Å; P78-P106 WeakPolarHBondContact CD-O 2.89Å; P78-P106 HydrophobicContact CG-CB 4.35Å; W81-P106 HydrophobicContact CB-CG 4.38Å; W81-P106 HydrophobicContact CD2-CB 4.06Å; W81-P106 HydrophobicContact CD2-CG 3.34Å; W81-P106 HydrophobicContact CE3-CB 4.48Å; W81-P106 HydrophobicContact CE3-CG 3.4Å; W81-P106 VanDerWaalsContact CE3-CG 3.4Å; W81-P106 HydrophobicContact CG-CB 4.4Å; W81-P106 HydrophobicContact CG-CG 3.84Å; W81-P106 HydrophobicContact CH2-CG 4.15Å; W81-P106 HydrophobicContact CZ2-CB 4.28Å; W81-P106 HydrophobicContact CZ2-CG 4.1Å; W81-P106 HydrophobicContact CZ3-CG 3.84Å; T102-P106 HydrophobicContact CG2-CG 3.98Å; E104-P106 WeakPolarHBondContact O-CD 3.25Å
107S69.6Low53.1Low95 Ų95109.7 Ų109.766%0.66463%0.632SS**PPolyproline II helixtrans-96.6156.6-18065.90000113.2
108S54.3Low51.3Low73 Ų73116.6 Ų116.651%0.5164%0.642SS.*SBendtrans-96.111.9-17045.70000116.8
109V49.3Very low49.5Very low116 Ų116121.5 Ų121.570%0.70366%0.662SS**  trans-124.7135-170-133.20000114.3
110P40.2Very low47.6Very low130 Ų130124.8 Ų124.884%0.84467%0.67SS**  trans-94131.4175.19.88.3000114.3
111G34.6Very low45.9Very low69 Ų69124.7 Ų124.771%0.71167%0.673SS**SBendtrans112.684.8156.300000119.9
112T33.4Very low43.8Very low144 Ų144125.9 Ų125.988%0.88369%0.685SS**  trans48.1160.615271.80000122.9
113P51.2Low42.3Very low115 Ų115130 Ų13075%0.74771%0.705SS**  -133.3161.2-64.738.3-21.9000113.4
114K32.9Very low40.2Very low211 Ų211128.1 Ų128.192%0.91771%0.713SS**  trans-157.3126.3147.3-109.3172-165.5-1790112.1
115S26.4Very low38Very low114 Ų114125 Ų12580%0.79772%0.715SS**  trans-53166.717360.20000113.9
116S27.3Very low35.6Very low94 Ų94126.3 Ų126.366%0.65773%0.733SS**  cis-178.1136.10.2144.90000104.3
117I25.5Very low33.7Very low168 Ų168132.8 Ų132.886%0.86277%0.766SS**  trans-150126.1131-88.1136.5000106.7
118R26.4Very low31.5Very low218 Ų218131.3 Ų131.382%0.82377%0.766SS**  trans-56.5137.9-178-70.5171.7171.2-169.9-3.8112.2
119H25.5Very low30.1Very low194 Ų194136.8 Ų136.890%0.89878%0.781SS**  -149.3108.2124.6-85.6-72.4000107.7
120K27.3Very low29Very low199 Ų199139.4 Ų139.487%0.86579%0.785SS**  trans-97.7131173.2-78.2-172.5173.8-173.40108
121N22.8Very low28.2Very low103 Ų103139.4 Ų139.455%0.55179%0.788SS**  trans-165.9103.9137.7-94.410.9000106.7P193 D194N121-P193 PolarHBondContact ND2-O 3.33Å; N121-D194 HydrophobicContact CB-CB 4.19Å; N121-D194 WeakPolarHBondContact CB-OD1 3.26Å; N121-D194 PolarHBondContact ND2-OD1 3.41Å; N121-D194 PolarHBondContact OD1-OD1 3.41Å
122S25.5Very low27.8Very low113 Ų113139.2 Ų139.279%0.7979%0.786SS**  trans-173.6107.2154.3-73.10000108.1D194S122-D194 WeakPolarHBondContact CA-OD2 3.48Å; S122-D194 PolarHBondContact N-OD2 2.9Å; S122-D194 VanDerWaalsContact N-OD2 3.16Å
123L25.9Very low27.3Very low129 Ų129138.2 Ų138.268%0.67579%0.786SS**  trans-54.3152.7155.2-68.5160.1000111.8D194L123-D194 PolarHBondContact N-OD2 3.04Å
124P31.6Very low26.1Very low123 Ų123138 Ų13880%0.79979%0.786SS**  trans-108.3146.9163.335.6-25.6000112.5
125A25.7Very low26.5Very low94 Ų94133.2 Ų133.278%0.77778%0.777SS**  trans-95.1123.6163.700000110.5
126V24.5Very low26.5Very low124 Ų124134.7 Ų134.775%0.75277%0.773SS**  45.9115.8125.1177.30000120
127N27Very low26.5Very low162 Ų162136.5 Ų136.587%0.86677%0.771SS**  158.7134.5127.2-86-26000108.5
128G23.7Very low26.6Very low64 Ų64136.8 Ų136.866%0.6677%0.768SS**  cis171.3169.62.100000108.2
129F24.6Very low26.5Very low189 Ų189129.9 Ų129.983%0.82977%0.765SS**  trans95.3132.4155.8-82.7-81.1000123.7
130H27.4Very low26.5Very low170 Ų170127 Ų12779%0.78776%0.756SS**  trans86.495.7158.6-55.6-54.3000119.8
131S23.6Very low26.5Very low130 Ų130125 Ų12591%0.90975%0.749SS**  trans-78.6136.1156.840.40000111.4
132G24.8Very low26.7Very low65 Ų65124.7 Ų124.767%0.6776%0.756SS**  trans-152.5121.516500000110.1
133S23.7Very low26.9Very low124 Ų124126.9 Ų126.987%0.86775%0.753SS**  trans59.6106.8157.451.80000120.3
134S26.6Very low26.9Very low109 Ų109129.7 Ų129.776%0.76276%0.76SS**  trans-65.7173.2138.1-55.80000109.6
135P40.3Very low26.6Very low111 Ų111128.6 Ų128.672%0.72176%0.755SS**  cis-153.3179.724.134.7-7.8000118.6
136M26.3Very low26.7Very low146 Ų146131.6 Ų131.672%0.71976%0.757SS**  trans98129.6144-55.5-14580.700122.4
137H29Very low26.9Very low131 Ų131131.3 Ų131.361%0.60676%0.756SS**  105113.4129.3-85-45.3000121.8
138H25.7Very low26.8Very low175 Ų175135.6 Ų135.681%0.8176%0.76SS**  trans61.7137.7130.5-76.4-46.2000122
139G26.3Very low26.9Very low73 Ų73142.1 Ų142.175%0.75377%0.77SS**  137.180.1124.600000117
140D23.8Very low26.8Very low134 Ų134138.1 Ų138.172%0.71777%0.766SS**  trans14153137.9-125-22.7000125
141H28.1Very low26.8Very low155 Ų155135 Ų13572%0.71876%0.762SS**  trans81.1108.3146.7-70.9-40.3000124.6
142S26.4Very low26.9Very low98 Ų98135.8 Ų135.869%0.68576%0.762SS**  4.7137.8128.5-72.50000120.6
143H29.2Very low26.9Very low158 Ų158140.2 Ų140.273%0.73177%0.765SS**  177.8130.5101.9-108.8-96.3000115.2
144K27.4Very low27.4Very low188 Ų188140.5 Ų140.582%0.81776%0.764SS**  trans11.1141.9144.8-57.1-179.7-179.3177.80122.5
145S24.4Very low27.5Very low100 Ų100143 Ų14370%0.69976%0.764SS**  -177.3114.2122.7-158.80000110.9
146L29Very low26.8Very low157 Ų157142.7 Ų142.782%0.82277%0.765SS**  61.5143.498.3-56165.5000114.9
147V27Very low27.7Very low119 Ų119141.8 Ų141.872%0.72177%0.77SS**  cis-176.9146.8-4.4141.60000105.9
148R25.3Very low27.5Very low252 Ų252139.4 Ų139.495%0.95178%0.781SS**  trans-161.8139.3135.5-139.5169.4-178.5171-0113.6
149K26.5Very low27.7Very low200 Ų200136.6 Ų136.687%0.8778%0.78SS**  trans-109.1155.8-175.6-100.4-178.8173.2179.90111.6
150S23Very low27.7Very low106 Ų106139.1 Ų139.174%0.74178%0.781SS**  trans-176.2104.2137.352.50000109.1
151S25.9Very low27.8Very low103 Ų103137.6 Ų137.672%0.7278%0.781SS**  75.8111.478.261.70000116.1
152T26.2Very low28.1Very low148 Ų148136.5 Ų136.591%0.90879%0.788SS**  174.3132.1117.832.50000112.4
153E25.4Very low28.2Very low157 Ų157138 Ų13873%0.73479%0.793SS**  trans-101.6169.8168.2-98.3-172.9174.400110.5
154P34.1Very low28.5Very low130 Ų130141.8 Ų141.884%0.84480%0.801SS**  -139.8152.2100.726.2-6.1000116.3
155Q28.9Very low28.7Very low162 Ų162142 Ų14276%0.75780%0.802SS**  trans-68.6165.7176.6-56.5178.2-29.200113.3
156S25.3Very low29.3Very low105 Ų105145.5 Ų145.573%0.73481%0.807SS**  cis-179.7-166.336410000108.7
157P45.2Very low29.9Very low127 Ų127145.3 Ų145.383%0.82581%0.807SS**  -126.9164.3-58.635.8-19.3000113.5
158G24.2Very low31.3Very low81 Ų81147.2 Ų147.284%0.83581%0.806SS**  trans174.3116.1168.200000116.4
159S31Very low33.3Very low115 Ų115142.1 Ų142.180%0.80479%0.793SS**  trans-67.9140.3172.9174.40000112.7
160T25.7Very low36Very low126 Ų126137 Ų13777%0.77378%0.778SS**  trans-179.9125.5132.345.30000112.6
161S26.1Very low39.2Very low103 Ų103135.2 Ų135.272%0.7276%0.763SS**  trans59127.9143.4-53.60000121.3T163S161-T163 PolarHBondContact O-N 3.38Å; S161-T163 VanDerWaalsContact O-N 3.14Å
162P33.2Very low42.3Very low131 Ų131133 Ų13385%0.85175%0.745SS**  trans-74.5109.7170.730.5-28000109.3R164P162-R164 PolarHBondContact O-N 2.92Å; P162-R164 VanDerWaalsContact O-N 3.16Å
163T28.9Very low45.4Very low131 Ų131128.4 Ų128.480%0.80472%0.717SS**  trans-50.5119.6165.532.10000110.1S161 K165S161-T163 PolarHBondContact O-N 3.38Å; S161-T163 VanDerWaalsContact O-N 3.14Å; T163-K165 PolarHBondContact O-N 2.89Å
164R35.7Very low48.6Very low237 Ų237125.4 Ų125.489%0.89471%0.705SS**  trans-36.7100.7163.7-171.6177.7-174179.62.2109.6P162 Q166P162-R164 PolarHBondContact O-N 2.92Å; P162-R164 VanDerWaalsContact O-N 3.16Å; R164-Q166 PolarHBondContact O-N 3.46Å
165K31.7Very low51.4Low191 Ų191122.8 Ų122.883%0.8368%0.684SS**  trans-58.3102.8167.6-82.4-177.3176.5178.80106.5T163 N167T163-K165 PolarHBondContact O-N 2.89Å; K165-N167 PolarHBondContact O-N 2.98Å
166Q37.8Very low54.5Low174 Ų174116.1 Ų116.181%0.81366%0.655SS**  trans-58.7108.3160.3-80179.6-16.700105.8R164 K168R164-Q166 PolarHBondContact O-N 3.46Å; Q166-K168 PolarHBondContact O-N 3.41Å
167N41.4Very low57.9Low153 Ų153111.4 Ų111.482%0.81862%0.622SS**  trans-56.8105.3168.4-93.6-8.3000106.9K165 E169K165-N167 PolarHBondContact O-N 2.98Å; N167-E169 PolarHBondContact O-N 3.29Å
168K55.9Low60.2Low160 Ų160107 Ų10770%0.69659%0.593SS**  trans-67.7114.6170.9-73.7179.5175.3-178.50107Q166 T170 F184Q166-K168 PolarHBondContact O-N 3.41Å; K168-T170 PolarHBondContact O-N 3.46Å; K168-F184 HydrophobicContact CD-CZ 4.02Å
169E66.7Low63.5Low144 Ų144105.8 Ų105.867%0.67356%0.564SS**  trans-67111.3174.3-79.1179.6153.900109.2N167 T171N167-E169 PolarHBondContact O-N 3.29Å; E169-T171 VanDerWaalsContact C-N 3.33Å
170T83.1Confident66.3Low92 Ų92102.9 Ų102.956%0.56454%0.542SS*.  trans-85.8-6.9-178.850.90000113K168 S181K168-T170 PolarHBondContact O-N 3.46Å; T170-S181 VanDerWaalsContact O-CB 3.27Å; T170-S181 WeakPolarHBondContact O-CB 3.43Å; T170-S181 PolarHBondContact O-N 3.43Å
171T90Very high69.1Low70 Ų7097.3 Ų97.343%0.42951%0.509SS..EExtended strand (participates in β ladder)trans-133.2158.6-176.961.50000111.1E169 T178 F179E169-T171 VanDerWaalsContact C-N 3.33Å; T171-T178 HydrophobicContact CG2-CG2 4.07Å; T171-F179 CarbonylContact C-O 3.46Å; T171-F179 WeakPolarHBondContact CA-O 3.32Å; T171-F179 WeakPolarHBondContact CB-O 3.44Å
172V91.4Very high71.7Confident56 Ų5697.1 Ų97.134%0.33951%0.505SS..EExtended strand (participates in β ladder)trans-129.3130.7175.1176.50000108.3I174 F179V172-I174 HydrophobicContact CG1-CD1 4.17Å; V172-I174 HydrophobicContact CG1-CG1 3.94Å; V172-F179 PolarHBondContact N-O 2.96Å; V172-F179 PolarHBondContact O-N 3.39Å
173T92.8Very high73.7Confident51 Ų5197.5 Ų97.531%0.31350%0.498SS..EExtended strand (participates in β ladder)trans-104.1121.3176.4-51.90000110.5V177 T178 Y331T173-V177 CarbonylContact C-O 3.44Å; T173-V177 VanDerWaalsContact CA-O 3.26Å; T173-V177 WeakPolarHBondContact CA-O 3.47Å; T173-V177 WeakPolarHBondContact CG2-O 3.35Å; T173-T178 PolarHBondContact OG1-OG1 2.86Å; T173-Y331 HydrophobicContact CG2-CD2 3.96Å; T173-Y331 HydrophobicContact CG2-CE2 3.49Å; T173-Y331 VanDerWaalsContact CG2-CE2 3.49Å
174I91.8Very high75.6Confident94 Ų9496.3 Ų96.348%0.48248%0.483SS..EExtended strand (participates in β ladder)trans-124.8127.7178.6-57.9167.6000107.5V172 C176 V177 F179V172-I174 HydrophobicContact CG1-CD1 4.17Å; V172-I174 HydrophobicContact CG1-CG1 3.94Å; I174-C176 PolarHBondContact O-N 3.36Å; I174-C176 VanDerWaalsContact O-N 3.17Å; I174-V177 PolarHBondContact N-O 2.92Å; I174-V177 PolarHBondContact O-N 2.8Å; I174-F179 HydrophobicContact CB-CD2 4.46Å; I174-F179 HydrophobicContact CB-CE2 4.33Å
175N92.3Very high77.2Confident76 Ų7689.8 Ų89.841%0.40646%0.463SS..THydrogen-bonded Turntrans47.345.9-178.6-60.4-18000113V177 D205 C214 R324N175-V177 PolarHBondContact O-N 3.17Å; N175-D205 WeakPolarHBondContact CB-OD2 3.25Å; N175-D205 WeakPolarHBondContact ND2-CB 3.49Å; N175-D205 PolarHBondContact ND2-OD2 2.82Å; N175-C214 PolarHBondContact ND2-SG 2.88Å; N175-C214 VanDerWaalsContact ND2-SG 3.42Å; N175-R324 PolarHBondContact O-NH2 3.23Å
176C94.8Very high78.7Confident22 Ų2284.8 Ų84.815%0.14946%0.457CS..THydrogen-bonded Turntrans66.86.7-179.7-49.60000115.9I174 V328 Y331 Y388I174-C176 PolarHBondContact O-N 3.36Å; I174-C176 VanDerWaalsContact O-N 3.17Å; C176-V328 HydrophobicContact CB-CG2 4.12Å; C176-Y331 HydrophobicContact CB-CD1 4.35Å; C176-Y331 HydrophobicContact CB-CG 4.06Å; C176-Y388 WeakPolarHBondContact O-CE2 3.28Å; C176-Y388 PolarHBondContact O-OH 2.75Å
177V95.4Very high80.2Confident6 Ų686 Ų864%0.03646%0.463CS..EExtended strand (participates in β ladder)trans-104.3133.3171-171.20000110.2T173 I174 N175 F179 L327 W395T173-V177 CarbonylContact C-O 3.44Å; T173-V177 VanDerWaalsContact CA-O 3.26Å; T173-V177 WeakPolarHBondContact CA-O 3.47Å; T173-V177 WeakPolarHBondContact CG2-O 3.35Å; I174-V177 PolarHBondContact N-O 2.92Å; I174-V177 PolarHBondContact O-N 2.8Å; N175-V177 PolarHBondContact O-N 3.17Å; V177-F179 HydrophobicContact CB-CD2 4.4Å; V177-F179 HydrophobicContact CB-CE2 3.64Å; V177-F179 HydrophobicContact CB-CZ 3.83Å; V177-F179 HydrophobicContact CG1-CD2 4.33Å; V177-F179 HydrophobicContact CG1-CE1 3.96Å; V177-F179 HydrophobicContact CG1-CE2 3.72Å; V177-F179 HydrophobicContact CG1-CZ 3.51Å; V177-L327 HydrophobicContact CG2-CD2 4.3Å; V177-W395 HydrophobicContact CG1-CH2 4.29Å; V177-W395 HydrophobicContact CG1-CZ3 3.9Å; V177-W395 HydrophobicContact CG2-CH2 4.02Å; V177-W395 HydrophobicContact CG2-CZ3 4.07Å
178T94.4Very high81.9Confident35 Ų3585.3 Ų85.322%0.21546%0.455CS..EExtended strand (participates in β ladder)trans-95.8123.8178.4-57.90000110.6T171 T173 Y388T171-T178 HydrophobicContact CG2-CG2 4.07Å; T173-T178 PolarHBondContact OG1-OG1 2.86Å; T178-Y388 PolarHBondContact N-OH 2.9Å; T178-Y388 PolarHBondContact OG1-OH 2.94Å
179F92.7Very high83.4Confident55 Ų5586.2 Ų86.224%0.24146%0.462CS..EExtended strand (participates in β ladder)trans-112.1157.3176.2-60.7-79.6000110.1T171 V172 I174 V177 W203T171-F179 CarbonylContact C-O 3.46Å; T171-F179 WeakPolarHBondContact CA-O 3.32Å; T171-F179 WeakPolarHBondContact CB-O 3.44Å; V172-F179 PolarHBondContact N-O 2.96Å; V172-F179 PolarHBondContact O-N 3.39Å; I174-F179 HydrophobicContact CB-CD2 4.46Å; I174-F179 HydrophobicContact CB-CE2 4.33Å; V177-F179 HydrophobicContact CB-CD2 4.4Å; V177-F179 HydrophobicContact CB-CE2 3.64Å; V177-F179 HydrophobicContact CB-CZ 3.83Å; V177-F179 HydrophobicContact CG1-CD2 4.33Å; V177-F179 HydrophobicContact CG1-CE1 3.96Å; V177-F179 HydrophobicContact CG1-CE2 3.72Å; V177-F179 HydrophobicContact CG1-CZ 3.51Å; F179-W203 HydrophobicContact CE1-CB 4.14Å
180P90.1Very high84.6Confident53 Ų5382.6 Ų82.634%0.34445%0.446SS..EExtended strand (participates in β ladder)trans-62.1144.1169.827-33.8000110.9M185P180-M185 HydrophobicContact CB-CG 4.07Å; P180-M185 HydrophobicContact CG-CE 4.32Å; P180-M185 HydrophobicContact CG-CG 4.18Å; P180-M185 HydrophobicContact CG-SD 4.48Å
181S86.1Confident84.9Confident9 Ų982.4 Ų82.46%0.06344%0.442CS..  trans-67128.4176.3176.20000110.3T170 I183 F184 M185T170-S181 VanDerWaalsContact O-CB 3.27Å; T170-S181 WeakPolarHBondContact O-CB 3.43Å; T170-S181 PolarHBondContact O-N 3.43Å; S181-I183 PolarHBondContact O-N 3.17Å; S181-F184 CarbonylContact O-C 3.58Å; S181-F184 PolarHBondContact O-N 3.43Å; S181-M185 WeakPolarHBondContact O-CG 3.25Å; S181-M185 PolarHBondContact O-N 3Å; S181-M185 VanDerWaalsContact O-N 3.16Å
182P79.3Confident85Confident100 Ų10081.7 Ų81.765%0.64943%0.433SS*.THydrogen-bonded Turntrans-55.6-26.1-179.3-24.131.9000113.9F184P182-F184 VanDerWaalsContact C-N 3.34Å
183I75.3Confident84.8Confident138 Ų13882 Ų8271%0.70844%0.436SS*.THydrogen-bonded Turntrans-74.9-26.4-176.9-59.5167.6000111.7S181S181-I183 PolarHBondContact O-N 3.17Å
184F70.3Confident84.8Confident107 Ų10782.1 Ų82.147%0.46944%0.435SS..SBendtrans-12519.8-174.5-59-71.7000112.4K168 S181 P182 A186K168-F184 HydrophobicContact CD-CZ 4.02Å; S181-F184 CarbonylContact O-C 3.58Å; S181-F184 PolarHBondContact O-N 3.43Å; P182-F184 VanDerWaalsContact C-N 3.34Å; F184-A186 PolarHBondContact O-N 3.24Å; F184-A186 VanDerWaalsContact O-N 3.14Å
185M67.8Low84.9Confident100 Ų10081.8 Ų81.849%0.49343%0.431SS..  trans-63.4115178.9-82.2-17674.200110.5P180 S181P180-M185 HydrophobicContact CB-CG 4.07Å; P180-M185 HydrophobicContact CG-CE 4.32Å; P180-M185 HydrophobicContact CG-CG 4.18Å; P180-M185 HydrophobicContact CG-SD 4.48Å; S181-M185 WeakPolarHBondContact O-CG 3.25Å; S181-M185 PolarHBondContact O-N 3Å; S181-M185 VanDerWaalsContact O-N 3.16Å
186A64.1Low85.2Confident85 Ų8588.3 Ų88.370%0.70245%0.45SS*.  trans-68.8150.9151.800000108.3F184 Q188F184-A186 PolarHBondContact O-N 3.24Å; F184-A186 VanDerWaalsContact O-N 3.14Å; A186-Q188 PolarHBondContact O-N 3.41Å
187E69.6Low85.3Confident199 Ų19987.3 Ų87.393%0.9344%0.443SS*.  trans-52.1111.7175.9-79.6-179.8159.900110.2
188Q76.7Confident85.4Confident140 Ų14088.7 Ų88.765%0.65445%0.448SS*.PPolyproline II helixtrans-87.3116.3172.9-174.6174-3.500108A186A186-Q188 PolarHBondContact O-N 3.41Å
189Q86.2Confident85.6Confident178 Ų17887.1 Ų87.183%0.83244%0.439SS*.PPolyproline II helixtrans-71.4139.4175.4-66.2179.9-0.700110.2
190L92.1Very high85.8Confident68 Ų6885.4 Ų85.436%0.35643%0.432SS..PPolyproline II helixtrans-66.5150.6171.1-62.3175.5000110.2K192 P193 D200 Y201L190-K192 VanDerWaalsContact C-N 3.32Å; L190-P193 HydrophobicContact CB-CB 4.38Å; L190-D200 HydrophobicContact CD2-CB 4.16Å; L190-Y201 VanDerWaalsContact CD1-OH 3.27Å; L190-Y201 WeakPolarHBondContact CD1-OH 3.39Å
191L89.4Confident86.1Confident88 Ų8887.5 Ų87.546%0.46143%0.434SS..SBendtrans-66.1-37.9174.4-62.8176.3000110.8C199 D200 W203 F396 V400L191-C199 HydrophobicContact CD1-CB 4.33Å; L191-D200 WeakPolarHBondContact CB-OD1 3.44Å; L191-D200 PolarHBondContact N-OD1 3.23Å; L191-D200 PolarHBondContact N-OD2 3.42Å; L191-W203 HydrophobicContact CD1-CZ2 4.48Å; L191-F396 HydrophobicContact CD1-CZ 4.36Å; L191-V400 HydrophobicContact CD1-CG1 4.22Å; L191-V400 HydrophobicContact CD1-CG2 3.75Å
192K92Very high86.6Confident56 Ų5689.7 Ų89.724%0.24344%0.442CS..SBendtrans-12683.8173.3-59.4-173.778.2-163.70110L190 D194 E195 D200 L404 E407L190-K192 VanDerWaalsContact C-N 3.32Å; K192-D194 PolarHBondContact O-N 2.97Å; K192-D194 VanDerWaalsContact O-N 3.14Å; K192-E195 HydrophobicContact CB-CB 4.09Å; K192-E195 VanDerWaalsContact CE-CD 3.41Å; K192-E195 VanDerWaalsContact CE-OE1 3.23Å; K192-E195 WeakPolarHBondContact CE-OE1 3.48Å; K192-E195 VanDerWaalsContact CE-OE2 3.25Å; K192-E195 WeakPolarHBondContact CE-OE2 3.37Å; K192-E195 IonicContact NZ-OE1 4Å; K192-E195 PolarHBondContact NZ-OE1 2.92Å; K192-E195 IonicContact NZ-OE2 2.65Å; K192-E195 PolarHBondContact NZ-OE2 2.95Å; K192-E195 PolarHBondContact O-N 3.28Å; K192-E195 VanDerWaalsContact O-N 3.11Å; K192-E195 VanDerWaalsContact O-O 3.05Å; K192-D200 PolarHBondContact N-OD2 2.87Å; K192-L404 HydrophobicContact CD-CD2 4Å; K192-E407 IonicContact NZ-OE1 3.61Å; K192-E407 PolarHBondContact NZ-OE1 2.84Å
193P88.7Confident87.4Confident63 Ų6387.1 Ų87.141%0.40942%0.419SS..THydrogen-bonded Turntrans-66.5-17.8-168.825.9-35.2000115.8N121 L190N121-P193 PolarHBondContact ND2-O 3.33Å; L190-P193 HydrophobicContact CB-CB 4.38Å
194D93Very high88.4Confident53 Ų5383.7 Ų83.728%0.28341%0.412SS..THydrogen-bonded Turntrans-100.92-179.4-59.9-14000112.2N121 S122 L123 K192N121-D194 HydrophobicContact CB-CB 4.19Å; N121-D194 WeakPolarHBondContact CB-OD1 3.26Å; N121-D194 PolarHBondContact ND2-OD1 3.41Å; N121-D194 PolarHBondContact OD1-OD1 3.41Å; S122-D194 WeakPolarHBondContact CA-OD2 3.48Å; S122-D194 PolarHBondContact N-OD2 2.9Å; S122-D194 VanDerWaalsContact N-OD2 3.16Å; L123-D194 PolarHBondContact N-OD2 3.04Å; K192-D194 PolarHBondContact O-N 2.97Å; K192-D194 VanDerWaalsContact O-N 3.14Å
195E93.4Very high89.5Confident87 Ų8780.4 Ų80.441%0.40740%0.399SS..SBendtrans-133.7147.5-170.3-60.7-175.9-136.500112.5K192 S197K192-E195 HydrophobicContact CB-CB 4.09Å; K192-E195 VanDerWaalsContact CE-CD 3.41Å; K192-E195 VanDerWaalsContact CE-OE1 3.23Å; K192-E195 WeakPolarHBondContact CE-OE1 3.48Å; K192-E195 VanDerWaalsContact CE-OE2 3.25Å; K192-E195 WeakPolarHBondContact CE-OE2 3.37Å; K192-E195 IonicContact NZ-OE1 4Å; K192-E195 PolarHBondContact NZ-OE1 2.92Å; K192-E195 IonicContact NZ-OE2 2.65Å; K192-E195 PolarHBondContact NZ-OE2 2.95Å; K192-E195 PolarHBondContact O-N 3.28Å; K192-E195 VanDerWaalsContact O-N 3.11Å; K192-E195 VanDerWaalsContact O-O 3.05Å; E195-S197 PolarHBondContact O-N 3.14Å
196W97.4Very high90.4Very high213 Ų21381.7 Ų81.781%0.80740%0.399SS*.  trans-85.365.5171.3-72.785.9000110.3Y201W196-Y201 HydrophobicContact CD2-CE2 4.4Å; W196-Y201 HydrophobicContact CE3-CD1 4.31Å; W196-Y201 HydrophobicContact CE3-CD2 4.16Å; W196-Y201 AromaticContact CE3-CE1 3.96Å; W196-Y201 HydrophobicContact CE3-CE1 3.96Å; W196-Y201 AromaticContact CE3-CE2 3.85Å; W196-Y201 HydrophobicContact CE3-CE2 3.85Å; W196-Y201 HydrophobicContact CE3-CG 4.4Å; W196-Y201 AromaticContact CE3-CZ 3.72Å; W196-Y201 HydrophobicContact CZ3-CD1 4.14Å; W196-Y201 AromaticContact CZ3-CE1 3.73Å; W196-Y201 HydrophobicContact CZ3-CE1 3.73Å; W196-Y201 HydrophobicContact CZ3-CE2 4.46Å; W196-Y201 AromaticContact CZ3-CZ 3.91Å
197S97.6Very high91.4Very high1 Ų186.5 Ų86.51%0.00740%0.403CS..  trans-75.5141.2-171.5178.60000113.5E195 C199 D200 Y201 E407E195-S197 PolarHBondContact O-N 3.14Å; S197-C199 PolarHBondContact O-N 3.26Å; S197-C199 VanDerWaalsContact O-N 3.14Å; S197-C199 PolarHBondContact OG-N 3.12Å; S197-C199 PolarHBondContact OG-SG 3.02Å; S197-D200 PolarHBondContact O-N 3.16Å; S197-Y201 VanDerWaalsContact O-CD2 3.3Å; S197-Y201 WeakPolarHBondContact O-CD2 3.44Å; S197-E407 WeakPolarHBondContact CA-OE2 3.25Å; S197-E407 PolarHBondContact OG-OE2 3.39Å
198Y98.4Very high91.9Very high35 Ų3578.7 Ų78.714%0.13737%0.368CS..Hα-helixtrans-57.9-28.1172.5-72-4.8000112.9D200 F202 L221 L406 E407Y198-D200 VanDerWaalsContact C-N 3.27Å; Y198-D200 PolarHBondContact O-N 3.01Å; Y198-F202 HydrophobicContact CD1-CD2 4.46Å; Y198-F202 AromaticContact CD1-CE2 3.87Å; Y198-F202 HydrophobicContact CD1-CE2 3.87Å; Y198-F202 HydrophobicContact CE1-CE2 4.49Å; Y198-F202 WeakPolarHBondContact O-CD2 3.41Å; Y198-L221 HydrophobicContact CD1-CD2 3.7Å; Y198-L221 HydrophobicContact CD2-CD1 4.26Å; Y198-L221 HydrophobicContact CD2-CD2 3.72Å; Y198-L221 HydrophobicContact CE1-CD2 3.97Å; Y198-L221 HydrophobicContact CE2-CD2 4.01Å; Y198-L221 HydrophobicContact CG-CD1 4.21Å; Y198-L221 HydrophobicContact CG-CD2 3.56Å; Y198-L406 HydrophobicContact CD2-CB 4.17Å; Y198-L406 HydrophobicContact CE2-CB 4.38Å; Y198-E407 HydrophobicContact CD2-CB 3.68Å; Y198-E407 HydrophobicContact CE2-CB 4.13Å; Y198-E407 HydrophobicContact CG-CB 4.08Å; Y198-E407 PolarHBondContact N-OE2 3.17Å
199C97.1Very high91.8Very high2 Ų277.2 Ų77.21%0.01437%0.371CS..Hα-helixtrans-77.3-7.6178.373.40000114.2L191 S197 W203 V400 S403 L404L191-C199 HydrophobicContact CD1-CB 4.33Å; S197-C199 PolarHBondContact O-N 3.26Å; S197-C199 VanDerWaalsContact O-N 3.14Å; S197-C199 PolarHBondContact OG-N 3.12Å; S197-C199 PolarHBondContact OG-SG 3.02Å; C199-W203 WeakPolarHBondContact O-CZ2 3.42Å; C199-W203 PolarHBondContact O-NE1 3.17Å; C199-V400 HydrophobicContact CB-CB 4.47Å; C199-V400 HydrophobicContact CB-CG1 4.05Å; C199-S403 WeakPolarHBondContact CA-OG 3.37Å; C199-S403 WeakPolarHBondContact CB-OG 3.39Å; C199-L404 HydrophobicContact CB-CD2 4.23Å; C199-L404 HydrophobicContact CB-CG 4.11Å
200D96.9Very high91.4Very high18 Ų1876.4 Ų76.410%0.09637%0.367CS..Hα-helixtrans-104.5-28.3-177-82-49.2000113.2L190 L191 K192 S197 Y198 W203L190-D200 HydrophobicContact CD2-CB 4.16Å; L191-D200 WeakPolarHBondContact CB-OD1 3.44Å; L191-D200 PolarHBondContact N-OD1 3.23Å; L191-D200 PolarHBondContact N-OD2 3.42Å; K192-D200 PolarHBondContact N-OD2 2.87Å; S197-D200 PolarHBondContact O-N 3.16Å; Y198-D200 VanDerWaalsContact C-N 3.27Å; Y198-D200 PolarHBondContact O-N 3.01Å; D200-W203 PolarHBondContact O-NE1 2.6Å
201Y96.9Very high90.5Very high98 Ų9876.2 Ų76.238%0.38438%0.382SS..Hα-helixtrans-116.12.5-165-60.8-82.2000115.5L190 W196 S197L190-Y201 VanDerWaalsContact CD1-OH 3.27Å; L190-Y201 WeakPolarHBondContact CD1-OH 3.39Å; W196-Y201 HydrophobicContact CD2-CE2 4.4Å; W196-Y201 HydrophobicContact CE3-CD1 4.31Å; W196-Y201 HydrophobicContact CE3-CD2 4.16Å; W196-Y201 AromaticContact CE3-CE1 3.96Å; W196-Y201 HydrophobicContact CE3-CE1 3.96Å; W196-Y201 AromaticContact CE3-CE2 3.85Å; W196-Y201 HydrophobicContact CE3-CE2 3.85Å; W196-Y201 HydrophobicContact CE3-CG 4.4Å; W196-Y201 AromaticContact CE3-CZ 3.72Å; W196-Y201 HydrophobicContact CZ3-CD1 4.14Å; W196-Y201 AromaticContact CZ3-CE1 3.73Å; W196-Y201 HydrophobicContact CZ3-CE1 3.73Å; W196-Y201 HydrophobicContact CZ3-CE2 4.46Å; W196-Y201 AromaticContact CZ3-CZ 3.91Å; S197-Y201 VanDerWaalsContact O-CD2 3.3Å; S197-Y201 WeakPolarHBondContact O-CD2 3.44Å
202F97.3Very high89.3Confident54 Ų5478.9 Ų78.924%0.23740%0.397CS..  trans-119.940.8-173-66.7-90.3000113.8Y198 G217 V220 L221 M399Y198-F202 HydrophobicContact CD1-CD2 4.46Å; Y198-F202 AromaticContact CD1-CE2 3.87Å; Y198-F202 HydrophobicContact CD1-CE2 3.87Å; Y198-F202 HydrophobicContact CE1-CE2 4.49Å; Y198-F202 WeakPolarHBondContact O-CD2 3.41Å; F202-G217 WeakPolarHBondContact CD1-O 3.38Å; F202-G217 WeakPolarHBondContact O-CA 3.36Å; F202-V220 HydrophobicContact CD1-CB 4.31Å; F202-V220 HydrophobicContact CD1-CG1 4.43Å; F202-V220 HydrophobicContact CE1-CB 4.26Å; F202-V220 HydrophobicContact CE1-CG1 3.88Å; F202-L221 HydrophobicContact CB-CD1 4.12Å; F202-L221 HydrophobicContact CB-CG 4.3Å; F202-L221 HydrophobicContact CD1-CD2 3.76Å; F202-L221 HydrophobicContact CD1-CG 3.93Å; F202-L221 HydrophobicContact CD2-CD1 4.34Å; F202-L221 HydrophobicContact CD2-CD2 3.69Å; F202-L221 HydrophobicContact CD2-CG 4.26Å; F202-L221 HydrophobicContact CE1-CD2 3.69Å; F202-L221 HydrophobicContact CE1-CG 4.31Å; F202-L221 HydrophobicContact CE2-CD2 3.61Å; F202-L221 HydrophobicContact CG-CD1 4.11Å; F202-L221 HydrophobicContact CG-CD2 3.76Å; F202-L221 HydrophobicContact CG-CG 3.89Å; F202-L221 HydrophobicContact CZ-CD2 3.6Å; F202-M399 HydrophobicContact CB-CE 4.45Å; F202-M399 WeakPolarHBondContact O-CE 3.32Å
203W96.3Very high88.8Confident46 Ų4678.3 Ų78.317%0.17441%0.406CS..  trans-92.4-42.9-177.6-61.9113.8000114.8F179 L191 C199 D200 W395 F396 M399 V400F179-W203 HydrophobicContact CE1-CB 4.14Å; L191-W203 HydrophobicContact CD1-CZ2 4.48Å; C199-W203 WeakPolarHBondContact O-CZ2 3.42Å; C199-W203 PolarHBondContact O-NE1 3.17Å; D200-W203 PolarHBondContact O-NE1 2.6Å; W203-W395 AromaticContact CE3-CH2 3.92Å; W203-W395 HydrophobicContact CE3-CH2 3.92Å; W203-W395 HydrophobicContact CE3-CZ3 4.43Å; W203-W395 HydrophobicContact CZ3-CH2 4.24Å; W203-W395 HydrophobicContact CZ3-CZ3 4.5Å; W203-F396 AromaticContact CH2-CD2 3.49Å; W203-F396 HydrophobicContact CH2-CD2 3.49Å; W203-F396 VanDerWaalsContact CH2-CD2 3.49Å; W203-F396 AromaticContact CH2-CE2 3.54Å; W203-F396 HydrophobicContact CH2-CE2 3.54Å; W203-F396 HydrophobicContact CH2-CG 4.39Å; W203-F396 HydrophobicContact CH2-CZ 4.47Å; W203-F396 HydrophobicContact CZ2-CD2 4.08Å; W203-F396 AromaticContact CZ2-CE2 3.66Å; W203-F396 HydrophobicContact CZ2-CE2 3.66Å; W203-F396 AromaticContact CZ3-CD2 3.77Å; W203-F396 HydrophobicContact CZ3-CD2 3.77Å; W203-F396 HydrophobicContact CZ3-CE2 4.22Å; W203-M399 HydrophobicContact CE3-CG 4.1Å; W203-M399 HydrophobicContact CH2-CB 4.26Å; W203-M399 HydrophobicContact CH2-CG 4Å; W203-M399 HydrophobicContact CZ3-CB 3.82Å; W203-M399 HydrophobicContact CZ3-CG 3.41Å; W203-M399 VanDerWaalsContact CZ3-CG 3.41Å; W203-V400 HydrophobicContact CH2-CG2 3.6Å; W203-V400 HydrophobicContact CZ2-CG2 3.93Å
204A94.6Very high88.7Confident67 Ų6778.4 Ų78.455%0.55441%0.407SS*.SBendtrans-82.9143.2-178.700000110.5
205D94.2Very high88.6Confident38 Ų3877.5 Ų77.520%0.20340%0.403CS..  trans-78147.2171.2-51.2-31.8000109.6N175 C214 I215 T216 R324N175-D205 WeakPolarHBondContact CB-OD2 3.25Å; N175-D205 WeakPolarHBondContact ND2-CB 3.49Å; N175-D205 PolarHBondContact ND2-OD2 2.82Å; D205-C214 WeakPolarHBondContact CB-SG 3.35Å; D205-I215 CarbonylContact C-O 3.57Å; D205-I215 WeakPolarHBondContact CA-O 3.2Å; D205-T216 WeakPolarHBondContact OD1-CA 3.36Å; D205-R324 IonicContact OD1-NH2 2.75Å; D205-R324 PolarHBondContact OD1-NH2 2.87Å; D205-R324 IonicContact OD2-NH2 3.86Å; D205-R324 PolarHBondContact OD2-NH2 3.04Å
206R87.5Confident88.6Confident127 Ų12775.4 Ų75.448%0.47940%0.396SS..EExtended strand (participates in β ladder)trans-111.1149.5178.466.4-179.4-127.7-178.63111D208 C214 I215R206-D208 PolarHBondContact O-N 3.42Å; R206-C214 CarbonylContact O-C 3.55Å; R206-I215 HydrophobicContact CG-CB 4.04Å; R206-I215 PolarHBondContact N-O 2.88Å; R206-I215 PolarHBondContact O-N 3.35Å
207K84.1Confident88.6Confident185 Ų18565.6 Ų65.680%0.80436%0.36SS*.EExtended strand (participates in β ladder)trans-66.9135.7170.9-69.4-173.3177.6-1780109.7P209K207-P209 WeakPolarHBondContact O-CD 3.46Å
208D78.9Confident88.5Confident35 Ų3565.9 Ų65.919%0.18736%0.361CS..  trans-61.8124.4169.2178.710.3000109.2R206 Q210 G211 N212 G213 I215R206-D208 PolarHBondContact O-N 3.42Å; D208-Q210 PolarHBondContact O-N 3.43Å; D208-Q210 VanDerWaalsContact O-N 3.12Å; D208-Q210 PolarHBondContact OD1-N 3.26Å; D208-G211 PolarHBondContact O-N 2.94Å; D208-N212 PolarHBondContact OD2-N 2.79Å; D208-G213 VanDerWaalsContact CB-O 3.25Å; D208-G213 WeakPolarHBondContact CB-O 3.4Å; D208-G213 PolarHBondContact N-O 3.41Å; D208-I215 HydrophobicContact CB-CD1 3.99Å; D208-I215 HydrophobicContact CB-CG1 4.12Å
209P75.7Confident88.4Confident109 Ų10967.8 Ų67.871%0.70837%0.372SS*.THydrogen-bonded Turntrans-55.1-25.5173.7-25.334.3000113.7K207 G211K207-P209 WeakPolarHBondContact O-CD 3.46Å; P209-G211 VanDerWaalsContact C-N 3.32Å
210Q77.9Confident88.4Confident161 Ų16169.4 Ų69.475%0.75238%0.381SS*.THydrogen-bonded Turntrans-87.10.1178.6-58.8-174.5-10.800113.3D208 N212D208-Q210 PolarHBondContact O-N 3.43Å; D208-Q210 VanDerWaalsContact O-N 3.12Å; D208-Q210 PolarHBondContact OD1-N 3.26Å; Q210-N212 VanDerWaalsContact C-N 3.32Å; Q210-N212 PolarHBondContact O-N 3.21Å
211G72.3Confident88.5Confident65 Ų6568.7 Ų68.767%0.6738%0.377SS*.SBendtrans80.71.8172.100000115.8D208 P209D208-G211 PolarHBondContact O-N 2.94Å; P209-G211 VanDerWaalsContact C-N 3.32Å
212N65.6Low88.5Confident144 Ų14464.4 Ų64.477%0.7736%0.361SS*.SBendtrans-89.5-0.9-171.2-74.8-20.9000114.9D208 Q210D208-N212 PolarHBondContact OD2-N 2.79Å; Q210-N212 VanDerWaalsContact C-N 3.32Å; Q210-N212 PolarHBondContact O-N 3.21Å
213G80.7Confident88.5Confident43 Ų4366.9 Ų66.944%0.44337%0.374SS..  trans164.7-165.8177.300000115.3D208D208-G213 VanDerWaalsContact CB-O 3.25Å; D208-G213 WeakPolarHBondContact CB-O 3.4Å; D208-G213 PolarHBondContact N-O 3.41Å
214C85.8Confident88.6Confident65 Ų6568.3 Ų68.344%0.43938%0.381SS..EExtended strand (participates in β ladder)trans-107.4127.8174.3-154.60000108.5N175 D205 R206N175-C214 PolarHBondContact ND2-SG 2.88Å; N175-C214 VanDerWaalsContact ND2-SG 3.42Å; D205-C214 WeakPolarHBondContact CB-SG 3.35Å; R206-C214 CarbonylContact O-C 3.55Å
215I90.9Very high88.8Confident35 Ų3565.2 Ų65.218%0.17936%0.355CS..EExtended strand (participates in β ladder)trans-98.7126.9178.4-57.6173.2000107.4D205 R206 D208 E219 V220D205-I215 CarbonylContact C-O 3.57Å; D205-I215 WeakPolarHBondContact CA-O 3.2Å; R206-I215 HydrophobicContact CG-CB 4.04Å; R206-I215 PolarHBondContact N-O 2.88Å; R206-I215 PolarHBondContact O-N 3.35Å; D208-I215 HydrophobicContact CB-CD1 3.99Å; D208-I215 HydrophobicContact CB-CG1 4.12Å; I215-E219 HydrophobicContact CG2-CB 3.98Å; I215-E219 HydrophobicContact CG2-CG 4.04Å; I215-V220 HydrophobicContact CG2-CG2 3.93Å
216T95Very high88.9Confident43 Ų4366.6 Ų66.626%0.26436%0.362SS..  trans-72.3152.717970.40000111.3D205 F218 E219 V220D205-T216 WeakPolarHBondContact OD1-CA 3.36Å; T216-F218 PolarHBondContact O-N 3.1Å; T216-E219 WeakPolarHBondContact O-CB 3.13Å; T216-E219 PolarHBondContact O-N 3.28Å; T216-E219 VanDerWaalsContact O-N 3.12Å; T216-E219 WeakPolarHBondContact OG1-CB 3.44Å; T216-E219 PolarHBondContact OG1-N 3.14Å; T216-E219 VanDerWaalsContact OG1-N 3.17Å; T216-V220 PolarHBondContact O-N 3.21Å
217G95.7Very high89.4Confident6 Ų667 Ų676%0.06237%0.367CS..Hα-helixtrans-56.7-38.3175.200000112.8F202 E219 V220 L221F202-G217 WeakPolarHBondContact CD1-O 3.38Å; F202-G217 WeakPolarHBondContact O-CA 3.36Å; G217-E219 PolarHBondContact O-N 2.95Å; G217-V220 WeakPolarHBondContact O-CB 3.29Å; G217-V220 PolarHBondContact O-N 3.49Å; G217-L221 PolarHBondContact O-N 3.29Å
218F97.1Very high90.1Very high7 Ų758.3 Ų58.33%0.03133%0.33CS..Hα-helixtrans-64.4-39.2176.3-166.6-110.9000113.1T216 V220 L221 L222 F316 I320 M399 T402 L406T216-F218 PolarHBondContact O-N 3.1Å; F218-V220 VanDerWaalsContact C-N 3.28Å; F218-V220 PolarHBondContact O-N 3.01Å; F218-L221 HydrophobicContact CD2-CD1 4.39Å; F218-L221 WeakPolarHBondContact O-CB 3.41Å; F218-L221 PolarHBondContact O-N 2.98Å; F218-L221 VanDerWaalsContact O-N 3.09Å; F218-L222 HydrophobicContact CD1-CD1 3.72Å; F218-L222 HydrophobicContact CD1-CG 4.04Å; F218-L222 HydrophobicContact CE1-CD1 3.61Å; F218-L222 HydrophobicContact CE1-CD2 3.98Å; F218-L222 HydrophobicContact CE1-CG 3.78Å; F218-L222 HydrophobicContact CZ-CD2 4.21Å; F218-L222 HydrophobicContact CZ-CG 4.32Å; F218-L222 PolarHBondContact O-N 3Å; F218-F316 HydrophobicContact CE1-CB 4.41Å; F218-F316 HydrophobicContact CZ-CB 4.08Å; F218-I320 HydrophobicContact CB-CG2 4.22Å; F218-I320 HydrophobicContact CD1-CB 3.83Å; F218-I320 HydrophobicContact CD1-CG1 3.98Å; F218-I320 HydrophobicContact CD1-CG2 3.87Å; F218-I320 HydrophobicContact CD2-CG1 4.36Å; F218-I320 HydrophobicContact CE1-CB 3.88Å; F218-I320 HydrophobicContact CE1-CG1 3.65Å; F218-I320 HydrophobicContact CE1-CG2 4.4Å; F218-I320 HydrophobicContact CE2-CG1 4.08Å; F218-I320 HydrophobicContact CG-CB 4.34Å; F218-I320 HydrophobicContact CG-CG1 4.32Å; F218-I320 HydrophobicContact CG-CG2 3.96Å; F218-I320 HydrophobicContact CZ-CB 4.45Å; F218-I320 HydrophobicContact CZ-CG1 3.72Å; F218-M399 HydrophobicContact CB-CE 3.68Å; F218-M399 HydrophobicContact CB-SD 3.79Å; F218-M399 HydrophobicContact CD2-CE 3.68Å; F218-M399 HydrophobicContact CD2-SD 3.44Å; F218-M399 WeakPolarHBondContact CD2-SD 3.49Å; F218-M399 HydrophobicContact CE2-SD 4.33Å; F218-M399 HydrophobicContact CG-CE 4.14Å; F218-M399 HydrophobicContact CG-SD 3.88Å; F218-T402 HydrophobicContact CE2-CG2 3.69Å; F218-T402 HydrophobicContact CZ-CG2 3.52Å; F218-L406 HydrophobicContact CE2-CD1 3.73Å; F218-L406 HydrophobicContact CZ-CD1 3.96Å
219E96.3Very high91Very high76 Ų7658.6 Ų58.636%0.35533%0.33SS..Hα-helixtrans-63-36.5177.4-173.6173.8-174.400111.6I215 T216 G217 L221 L222 Q223I215-E219 HydrophobicContact CG2-CB 3.98Å; I215-E219 HydrophobicContact CG2-CG 4.04Å; T216-E219 WeakPolarHBondContact O-CB 3.13Å; T216-E219 PolarHBondContact O-N 3.28Å; T216-E219 VanDerWaalsContact O-N 3.12Å; T216-E219 WeakPolarHBondContact OG1-CB 3.44Å; T216-E219 PolarHBondContact OG1-N 3.14Å; T216-E219 VanDerWaalsContact OG1-N 3.17Å; G217-E219 PolarHBondContact O-N 2.95Å; E219-L221 VanDerWaalsContact C-N 3.3Å; E219-L221 PolarHBondContact O-N 3Å; E219-L222 PolarHBondContact O-N 2.83Å; E219-Q223 VanDerWaalsContact O-CG 3.31Å; E219-Q223 WeakPolarHBondContact O-CG 3.45Å; E219-Q223 PolarHBondContact O-N 3.42Å
220V96.8Very high92Very high36 Ų3657.4 Ų57.422%0.21832%0.315CS..Hα-helixtrans-59-43.1172.5-178.70000111.3F202 I215 T216 G217 F218 Q223 K224F202-V220 HydrophobicContact CD1-CB 4.31Å; F202-V220 HydrophobicContact CD1-CG1 4.43Å; F202-V220 HydrophobicContact CE1-CB 4.26Å; F202-V220 HydrophobicContact CE1-CG1 3.88Å; I215-V220 HydrophobicContact CG2-CG2 3.93Å; T216-V220 PolarHBondContact O-N 3.21Å; G217-V220 WeakPolarHBondContact O-CB 3.29Å; G217-V220 PolarHBondContact O-N 3.49Å; F218-V220 VanDerWaalsContact C-N 3.28Å; F218-V220 PolarHBondContact O-N 3.01Å; V220-Q223 PolarHBondContact O-N 2.93Å; V220-K224 PolarHBondContact O-N 3.42Å
221L98.3Very high93Very high2 Ų252.8 Ų52.81%0.0129%0.294CS..Hα-helixtrans-63-45.2176.1-61.8179.3000111.4Y198 F202 G217 F218 E219 Q223 K224 Q225 L406Y198-L221 HydrophobicContact CD1-CD2 3.7Å; Y198-L221 HydrophobicContact CD2-CD1 4.26Å; Y198-L221 HydrophobicContact CD2-CD2 3.72Å; Y198-L221 HydrophobicContact CE1-CD2 3.97Å; Y198-L221 HydrophobicContact CE2-CD2 4.01Å; Y198-L221 HydrophobicContact CG-CD1 4.21Å; Y198-L221 HydrophobicContact CG-CD2 3.56Å; F202-L221 HydrophobicContact CB-CD1 4.12Å; F202-L221 HydrophobicContact CB-CG 4.3Å; F202-L221 HydrophobicContact CD1-CD2 3.76Å; F202-L221 HydrophobicContact CD1-CG 3.93Å; F202-L221 HydrophobicContact CD2-CD1 4.34Å; F202-L221 HydrophobicContact CD2-CD2 3.69Å; F202-L221 HydrophobicContact CD2-CG 4.26Å; F202-L221 HydrophobicContact CE1-CD2 3.69Å; F202-L221 HydrophobicContact CE1-CG 4.31Å; F202-L221 HydrophobicContact CE2-CD2 3.61Å; F202-L221 HydrophobicContact CG-CD1 4.11Å; F202-L221 HydrophobicContact CG-CD2 3.76Å; F202-L221 HydrophobicContact CG-CG 3.89Å; F202-L221 HydrophobicContact CZ-CD2 3.6Å; G217-L221 PolarHBondContact O-N 3.29Å; F218-L221 HydrophobicContact CD2-CD1 4.39Å; F218-L221 WeakPolarHBondContact O-CB 3.41Å; F218-L221 PolarHBondContact O-N 2.98Å; F218-L221 VanDerWaalsContact O-N 3.09Å; E219-L221 VanDerWaalsContact C-N 3.3Å; E219-L221 PolarHBondContact O-N 3Å; L221-Q223 VanDerWaalsContact C-N 3.35Å; L221-Q223 PolarHBondContact O-N 3.22Å; L221-K224 WeakPolarHBondContact O-CB 3.25Å; L221-K224 PolarHBondContact O-N 3.45Å; L221-K224 VanDerWaalsContact O-N 3.16Å; L221-Q225 WeakPolarHBondContact O-CG 3.44Å; L221-Q225 PolarHBondContact O-N 3.38Å; L221-L406 HydrophobicContact CB-CD1 3.9Å
222L97.9Very high94.2Very high9 Ų949.7 Ų49.75%0.04726%0.262CS..Hα-helixtrans-60.8-42.8176.8-70.4172.9000112.2F218 E219 K224 Q225 L226 M313 D317 L406F218-L222 HydrophobicContact CD1-CD1 3.72Å; F218-L222 HydrophobicContact CD1-CG 4.04Å; F218-L222 HydrophobicContact CE1-CD1 3.61Å; F218-L222 HydrophobicContact CE1-CD2 3.98Å; F218-L222 HydrophobicContact CE1-CG 3.78Å; F218-L222 HydrophobicContact CZ-CD2 4.21Å; F218-L222 HydrophobicContact CZ-CG 4.32Å; F218-L222 PolarHBondContact O-N 3Å; E219-L222 PolarHBondContact O-N 2.83Å; L222-K224 VanDerWaalsContact C-N 3.29Å; L222-K224 PolarHBondContact O-N 2.87Å; L222-Q225 WeakPolarHBondContact O-CB 3.27Å; L222-Q225 PolarHBondContact O-N 2.75Å; L222-Q225 VanDerWaalsContact O-N 3.16Å; L222-L226 WeakPolarHBondContact O-CG 3.45Å; L222-L226 PolarHBondContact O-N 3.12Å; L222-M313 HydrophobicContact CD2-CB 4.49Å; L222-M313 HydrophobicContact CD2-SD 3.95Å; L222-D317 HydrophobicContact CD1-CB 3.52Å; L222-D317 WeakPolarHBondContact CD1-OD1 3.46Å; L222-L406 HydrophobicContact CD2-CD1 4.26Å
223Q96.6Very high95.7Very high106 Ų10647.4 Ų47.450%0.49525%0.245SC..Hα-helixtrans-63-37.6176.1-67-56.5-28.100111.7E219 V220 L221 Q225 L226 K227E219-Q223 VanDerWaalsContact O-CG 3.31Å; E219-Q223 WeakPolarHBondContact O-CG 3.45Å; E219-Q223 PolarHBondContact O-N 3.42Å; V220-Q223 PolarHBondContact O-N 2.93Å; L221-Q223 VanDerWaalsContact C-N 3.35Å; L221-Q223 PolarHBondContact O-N 3.22Å; Q223-Q225 VanDerWaalsContact C-N 3.33Å; Q223-Q225 PolarHBondContact O-N 2.78Å; Q223-L226 PolarHBondContact O-N 2.98Å; Q223-K227 VanDerWaalsContact O-CB 3.31Å; Q223-K227 WeakPolarHBondContact O-CB 3.44Å; Q223-K227 PolarHBondContact O-N 3.46Å
224K98.1Very high96.6Very high75 Ų7549.3 Ų49.333%0.32624%0.243SC..Hα-helixtrans-61.2-41.7173.3171.762.1-173.774.30111.9V220 L221 L222 G228 E410V220-K224 PolarHBondContact O-N 3.42Å; L221-K224 WeakPolarHBondContact O-CB 3.25Å; L221-K224 PolarHBondContact O-N 3.45Å; L221-K224 VanDerWaalsContact O-N 3.16Å; L222-K224 VanDerWaalsContact C-N 3.29Å; L222-K224 PolarHBondContact O-N 2.87Å; K224-G228 PolarHBondContact O-N 3.41Å; K224-E410 IonicContact NZ-OE1 3.11Å; K224-E410 PolarHBondContact NZ-OE1 3.16Å; K224-E410 IonicContact NZ-OE2 2.59Å; K224-E410 PolarHBondContact NZ-OE2 3.49Å
225Q98.5Very high97.2Very high2 Ų249.7 Ų49.71%0.00924%0.239CC..Hα-helixtrans-64.4-50177.2-65.8-63.2-25.800111L221 L222 Q223 K227 G228 K229 F309 M313 L406L221-Q225 WeakPolarHBondContact O-CG 3.44Å; L221-Q225 PolarHBondContact O-N 3.38Å; L222-Q225 WeakPolarHBondContact O-CB 3.27Å; L222-Q225 PolarHBondContact O-N 2.75Å; L222-Q225 VanDerWaalsContact O-N 3.16Å; Q223-Q225 VanDerWaalsContact C-N 3.33Å; Q223-Q225 PolarHBondContact O-N 2.78Å; Q225-K227 VanDerWaalsContact C-N 3.34Å; Q225-K227 PolarHBondContact O-N 3.37Å; Q225-G228 WeakPolarHBondContact O-CA 3.4Å; Q225-G228 PolarHBondContact O-N 3.48Å; Q225-K229 PolarHBondContact O-N 3.03Å; Q225-F309 HydrophobicContact CB-CE2 4.37Å; Q225-F309 HydrophobicContact CB-CZ 3.8Å; Q225-F309 WeakPolarHBondContact O-CZ 3.23Å; Q225-M313 HydrophobicContact CB-SD 3.65Å; Q225-M313 HydrophobicContact CG-SD 4.01Å; Q225-L406 HydrophobicContact CG-CB 4.48Å; Q225-L406 HydrophobicContact CG-CD1 4.41Å; Q225-L406 HydrophobicContact CG-CD2 4.16Å; Q225-L406 PolarHBondContact NE2-O 3.48Å
226L97.8Very high97.6Very high68 Ų6848 Ų4836%0.35623%0.23SC..Hα-helixtrans-58.5-44.7177.8-68.5171.9000111.9L222 Q223 G228 K229 Q230 F309 M313L222-L226 WeakPolarHBondContact O-CG 3.45Å; L222-L226 PolarHBondContact O-N 3.12Å; Q223-L226 PolarHBondContact O-N 2.98Å; L226-G228 VanDerWaalsContact C-N 3.33Å; L226-G228 PolarHBondContact O-N 2.79Å; L226-K229 PolarHBondContact O-N 3.16Å; L226-Q230 PolarHBondContact O-N 2.9Å; L226-F309 HydrophobicContact CD2-CE1 4.13Å; L226-M313 HydrophobicContact CD2-CG 4.44Å
227K98.3Very high97.7Very high135 Ų13549.6 Ų49.659%0.58723%0.234SC*.Hα-helixtrans-60.2-43.5173.3-175176.9179.3179.10111.2Q223 Q225 K229 Q230 M231Q223-K227 VanDerWaalsContact O-CB 3.31Å; Q223-K227 WeakPolarHBondContact O-CB 3.44Å; Q223-K227 PolarHBondContact O-N 3.46Å; Q225-K227 VanDerWaalsContact C-N 3.34Å; Q225-K227 PolarHBondContact O-N 3.37Å; K227-K229 VanDerWaalsContact C-N 3.34Å; K227-K229 PolarHBondContact O-N 3.03Å; K227-Q230 WeakPolarHBondContact O-CB 3.42Å; K227-Q230 PolarHBondContact O-N 2.87Å; K227-Q230 VanDerWaalsContact O-N 3.15Å; K227-M231 HydrophobicContact CG-CG 4.35Å; K227-M231 VanDerWaalsContact O-CG 3.31Å; K227-M231 WeakPolarHBondContact O-CG 3.29Å; K227-M231 PolarHBondContact O-N 3.22Å
228G98.1Very high97.9Very high2 Ų256.2 Ų56.22%0.02126%0.262CS..Hα-helixtrans-56.2-44.4176.300000113.2K224 Q225 L226 M231 Q232 R413K224-G228 PolarHBondContact O-N 3.41Å; Q225-G228 WeakPolarHBondContact O-CA 3.4Å; Q225-G228 PolarHBondContact O-N 3.48Å; L226-G228 VanDerWaalsContact C-N 3.33Å; L226-G228 PolarHBondContact O-N 2.79Å; G228-M231 PolarHBondContact O-N 3.41Å; G228-Q232 PolarHBondContact O-N 3.11Å; G228-Q232 VanDerWaalsContact O-N 3.14Å; G228-R413 PolarHBondContact O-NH1 2.96Å
229K97.3Very high98Very high42 Ų4256.2 Ų56.218%0.18326%0.262CS..Hα-helixtrans-67.6-36175.8-177.562-179.5174.80112.4Q225 L226 K227 K233 F305 F309Q225-K229 PolarHBondContact O-N 3.03Å; L226-K229 PolarHBondContact O-N 3.16Å; K227-K229 VanDerWaalsContact C-N 3.34Å; K227-K229 PolarHBondContact O-N 3.03Å; K229-K233 PolarHBondContact O-N 3.11Å; K229-K233 VanDerWaalsContact O-N 3.15Å; K229-F305 PolarHBondContact NZ-O 2.85Å; K229-F309 HydrophobicContact CB-CD1 3.84Å; K229-F309 HydrophobicContact CB-CE1 3.5Å; K229-F309 HydrophobicContact CB-CZ 4.01Å; K229-F309 HydrophobicContact CD-CD1 4.44Å; K229-F309 HydrophobicContact CG-CD1 3.8Å; K229-F309 HydrophobicContact CG-CE1 4.02Å; K229-F309 HydrophobicContact CG-CG 4.43Å
230Q97.9Very high98.1Very high83 Ų8357.4 Ų57.439%0.38826%0.263SS..Hα-helixtrans-64.9-46.4175.4-179.856.93700111.7L226 K227 Q232 K233 E234L226-Q230 PolarHBondContact O-N 2.9Å; K227-Q230 WeakPolarHBondContact O-CB 3.42Å; K227-Q230 PolarHBondContact O-N 2.87Å; K227-Q230 VanDerWaalsContact O-N 3.15Å; Q230-Q232 VanDerWaalsContact C-N 3.32Å; Q230-Q232 PolarHBondContact O-N 3.46Å; Q230-K233 WeakPolarHBondContact O-CB 3.19Å; Q230-K233 PolarHBondContact O-N 3.14Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.2Å; Q230-E234 PolarHBondContact NE2-OE1 3.04Å; Q230-E234 PolarHBondContact O-N 2.8Å
231M98.4Very high98.2Very high64 Ų6460.3 Ų60.332%0.31527%0.274SS..Hα-helixtrans-60.9-40.5177-61.4-6287.700112.2K227 G228 K233 E234 M235K227-M231 HydrophobicContact CG-CG 4.35Å; K227-M231 VanDerWaalsContact O-CG 3.31Å; K227-M231 WeakPolarHBondContact O-CG 3.29Å; K227-M231 PolarHBondContact O-N 3.22Å; G228-M231 PolarHBondContact O-N 3.41Å; M231-K233 VanDerWaalsContact C-N 3.29Å; M231-K233 PolarHBondContact O-N 3.32Å; M231-E234 VanDerWaalsContact CE-CD 3.48Å; M231-E234 WeakPolarHBondContact CE-OE1 3.41Å; M231-E234 WeakPolarHBondContact CE-OE2 3.25Å; M231-E234 PolarHBondContact O-N 2.89Å; M231-M235 VanDerWaalsContact O-CG 3.29Å; M231-M235 WeakPolarHBondContact O-CG 3.42Å; M231-M235 PolarHBondContact O-N 3.3Å
232Q97.3Very high98.2Very high1 Ų162.9 Ų62.91%0.00528%0.284CS..Hα-helixtrans-59.8-39.2174.1176.8-172.9-46.400112.2G228 Q230 M235 A236 F302 M416 I417G228-Q232 PolarHBondContact O-N 3.11Å; G228-Q232 VanDerWaalsContact O-N 3.14Å; Q230-Q232 VanDerWaalsContact C-N 3.32Å; Q230-Q232 PolarHBondContact O-N 3.46Å; Q232-M235 PolarHBondContact O-N 3.4Å; Q232-A236 PolarHBondContact O-N 3.12Å; Q232-A236 VanDerWaalsContact O-N 3.13Å; Q232-F302 HydrophobicContact CG-CB 4.26Å; Q232-F302 WeakPolarHBondContact CG-O 3.44Å; Q232-F302 PolarHBondContact NE2-O 2.79Å; Q232-M416 HydrophobicContact CG-CE 4.37Å; Q232-I417 HydrophobicContact CB-CD1 4.44Å
233K97.8Very high98.3Very high96 Ų9662.7 Ų62.742%0.41728%0.283SS..Hα-helixtrans-66-45.1176.2-171.9-170177.5-116.80111.4K229 Q230 M231 M235 A236 E237K229-K233 PolarHBondContact O-N 3.11Å; K229-K233 VanDerWaalsContact O-N 3.15Å; Q230-K233 WeakPolarHBondContact O-CB 3.19Å; Q230-K233 PolarHBondContact O-N 3.14Å; M231-K233 VanDerWaalsContact C-N 3.29Å; M231-K233 PolarHBondContact O-N 3.32Å; K233-M235 VanDerWaalsContact C-N 3.31Å; K233-M235 PolarHBondContact O-N 3.2Å; K233-A236 WeakPolarHBondContact O-CB 3.13Å; K233-A236 PolarHBondContact O-N 2.95Å; K233-A236 VanDerWaalsContact O-N 3.12Å; K233-E237 WeakPolarHBondContact CE-OE1 3.36Å; K233-E237 IonicContact NZ-OE1 2.77Å; K233-E237 PolarHBondContact NZ-OE1 2.81Å; K233-E237 WeakPolarHBondContact O-CG 3.46Å; K233-E237 PolarHBondContact O-N 3.49Å
234E98.6Very high98.4Very high83 Ų8362.3 Ų62.339%0.38828%0.28SS..Hα-helixtrans-62.7-37.6177.1-72.1170.2-152.800111.9Q230 M231 A236 E237 F238Q230-E234 WeakPolarHBondContact CG-OE1 3.2Å; Q230-E234 PolarHBondContact NE2-OE1 3.04Å; Q230-E234 PolarHBondContact O-N 2.8Å; M231-E234 VanDerWaalsContact CE-CD 3.48Å; M231-E234 WeakPolarHBondContact CE-OE1 3.41Å; M231-E234 WeakPolarHBondContact CE-OE2 3.25Å; M231-E234 PolarHBondContact O-N 2.89Å; E234-A236 VanDerWaalsContact C-N 3.34Å; E234-A236 PolarHBondContact O-N 2.93Å; E234-E237 PolarHBondContact O-N 2.81Å; E234-F238 PolarHBondContact O-N 2.91Å
235M98.8Very high98.4Very high73 Ų7363.8 Ų63.836%0.3629%0.29SS..Hα-helixtrans-61-41.5171.7-71.1171.3177.300111.8M231 Q232 K233 F238 I239 F302 I417M231-M235 VanDerWaalsContact O-CG 3.29Å; M231-M235 WeakPolarHBondContact O-CG 3.42Å; M231-M235 PolarHBondContact O-N 3.3Å; Q232-M235 PolarHBondContact O-N 3.4Å; K233-M235 VanDerWaalsContact C-N 3.31Å; K233-M235 PolarHBondContact O-N 3.2Å; M235-F238 WeakPolarHBondContact O-CB 3.38Å; M235-F238 PolarHBondContact O-N 3.35Å; M235-I239 WeakPolarHBondContact O-CG1 3.41Å; M235-I239 PolarHBondContact O-N 3.06Å; M235-I239 VanDerWaalsContact O-N 3.09Å; M235-F302 HydrophobicContact CB-CD2 4.13Å; M235-F302 HydrophobicContact CB-CE2 4.06Å; M235-I417 HydrophobicContact SD-CD1 4.14Å; M235-I417 HydrophobicContact SD-CG2 4Å
236A98.6Very high98.4Very high0 Ų064.3 Ų64.30%029%0.293CS..Hα-helixtrans-64.3-41.8174.600000112Q232 K233 E234 F238 I239 R240 E299 F302 L303Q232-A236 PolarHBondContact O-N 3.12Å; Q232-A236 VanDerWaalsContact O-N 3.13Å; K233-A236 WeakPolarHBondContact O-CB 3.13Å; K233-A236 PolarHBondContact O-N 2.95Å; K233-A236 VanDerWaalsContact O-N 3.12Å; E234-A236 VanDerWaalsContact C-N 3.34Å; E234-A236 PolarHBondContact O-N 2.93Å; A236-F238 VanDerWaalsContact C-N 3.29Å; A236-F238 PolarHBondContact O-N 3.25Å; A236-I239 PolarHBondContact O-N 3.27Å; A236-R240 PolarHBondContact O-N 3.09Å; A236-E299 HydrophobicContact CB-CG 4.27Å; A236-F302 HydrophobicContact CB-CB 3.76Å; A236-F302 HydrophobicContact CB-CD2 4.37Å; A236-L303 HydrophobicContact CB-CD2 3.67Å; A236-L303 HydrophobicContact CB-CG 3.89Å
237E98.7Very high98.5Very high75 Ų7565 Ų6535%0.3529%0.294SS..Hα-helixtrans-60.7-38.7175.4-70.4169.7-177.100111.4K233 E234 R240 E241K233-E237 WeakPolarHBondContact CE-OE1 3.36Å; K233-E237 IonicContact NZ-OE1 2.77Å; K233-E237 PolarHBondContact NZ-OE1 2.81Å; K233-E237 WeakPolarHBondContact O-CG 3.46Å; K233-E237 PolarHBondContact O-N 3.49Å; E234-E237 PolarHBondContact O-N 2.81Å; E237-R240 WeakPolarHBondContact O-CB 3.35Å; E237-R240 PolarHBondContact O-N 3.18Å; E237-E241 PolarHBondContact O-N 2.87Å; E237-E241 VanDerWaalsContact O-N 3.11Å
238F98.9Very high98.5Very high145 Ų14564.5 Ų64.564%0.63629%0.294SS*.Hα-helixtrans-62.3-45.2172.7179.7-90.5000112.7E234 M235 A236 R240 E241 R242E234-F238 PolarHBondContact O-N 2.91Å; M235-F238 WeakPolarHBondContact O-CB 3.38Å; M235-F238 PolarHBondContact O-N 3.35Å; A236-F238 VanDerWaalsContact C-N 3.29Å; A236-F238 PolarHBondContact O-N 3.25Å; F238-R240 VanDerWaalsContact C-N 3.26Å; F238-R240 PolarHBondContact O-N 3.47Å; F238-E241 PolarHBondContact O-N 2.86Å; F238-R242 PolarHBondContact O-N 2.95Å
239I98.8Very high98.6Very high7 Ų769.3 Ų69.34%0.03631%0.312CS..Hα-helixtrans-62.7-36.4176.6-61.6-61.9000110.8M235 A236 E241 R242 I243 L294 V298 E299 Y424M235-I239 WeakPolarHBondContact O-CG1 3.41Å; M235-I239 PolarHBondContact O-N 3.06Å; M235-I239 VanDerWaalsContact O-N 3.09Å; A236-I239 PolarHBondContact O-N 3.27Å; I239-E241 PolarHBondContact O-N 3.46Å; I239-R242 WeakPolarHBondContact O-CB 3.44Å; I239-R242 PolarHBondContact O-N 3.19Å; I239-I243 HydrophobicContact CG2-CD1 3.95Å; I239-I243 HydrophobicContact CG2-CG1 4.42Å; I239-I243 VanDerWaalsContact O-CG1 3.32Å; I239-I243 WeakPolarHBondContact O-CG1 3.4Å; I239-I243 PolarHBondContact O-N 3.42Å; I239-L294 HydrophobicContact CG2-CB 4.44Å; I239-V298 HydrophobicContact CD1-CG1 4.2Å; I239-V298 HydrophobicContact CG1-CG1 4.06Å; I239-V298 HydrophobicContact CG2-CB 4.41Å; I239-V298 HydrophobicContact CG2-CG1 4.31Å; I239-E299 HydrophobicContact CB-CB 4.41Å; I239-E299 HydrophobicContact CG2-CB 3.93Å; I239-Y424 HydrophobicContact CD1-CD2 3.95Å; I239-Y424 HydrophobicContact CD1-CE2 4.25Å
240R98.9Very high98.6Very high101 Ų10167.5 Ų67.538%0.38131%0.305SS..Hα-helixtrans-60.8-43.5174.2-175.6178.6-65.5169.71.4112.8A236 E237 F238 R242 I243 K244 E299A236-R240 PolarHBondContact O-N 3.09Å; E237-R240 WeakPolarHBondContact O-CB 3.35Å; E237-R240 PolarHBondContact O-N 3.18Å; F238-R240 VanDerWaalsContact C-N 3.26Å; F238-R240 PolarHBondContact O-N 3.47Å; R240-R242 VanDerWaalsContact C-N 3.29Å; R240-R242 PolarHBondContact O-N 2.94Å; R240-I243 WeakPolarHBondContact O-CB 3.44Å; R240-I243 PolarHBondContact O-N 2.97Å; R240-K244 WeakPolarHBondContact O-CG 3.02Å; R240-K244 PolarHBondContact O-N 2.85Å; R240-E299 IonicContact CZ-OE1 2.59Å; R240-E299 IonicContact NE-OE1 3.59Å; R240-E299 PolarHBondContact NE-OE1 3.5Å; R240-E299 IonicContact NH2-OE1 3.52Å; R240-E299 PolarHBondContact NH2-OE1 3.48Å
241E98.9Very high98.7Very high97 Ų9770.8 Ų70.845%0.45332%0.318SS..Hα-helixtrans-65-37.2175.5-63.9-50.3123.800111.2E237 F238 I239 I243 K244 I245E237-E241 PolarHBondContact O-N 2.87Å; E237-E241 VanDerWaalsContact O-N 3.11Å; F238-E241 PolarHBondContact O-N 2.86Å; I239-E241 PolarHBondContact O-N 3.46Å; E241-I243 PolarHBondContact O-N 2.78Å; E241-K244 PolarHBondContact O-N 3Å; E241-K244 IonicContact OE1-NZ 3.95Å; E241-K244 PolarHBondContact OE1-NZ 3.19Å; E241-K244 IonicContact OE2-NZ 2.71Å; E241-K244 PolarHBondContact OE2-NZ 2.81Å; E241-I245 WeakPolarHBondContact O-CG1 3.36Å; E241-I245 PolarHBondContact O-N 3.34Å; E241-I245 VanDerWaalsContact O-N 3.13Å
242R98.9Very high98.7Very high56 Ų5672 Ų7221%0.21133%0.326CS..Hα-helixtrans-60.6-44.2171.2177.456.9-178-103.83.6112.1F238 I239 R240 K244 I245 E246 L294 Y424F238-R242 PolarHBondContact O-N 2.95Å; I239-R242 WeakPolarHBondContact O-CB 3.44Å; I239-R242 PolarHBondContact O-N 3.19Å; R240-R242 VanDerWaalsContact C-N 3.29Å; R240-R242 PolarHBondContact O-N 2.94Å; R242-K244 VanDerWaalsContact C-N 3.35Å; R242-K244 PolarHBondContact O-N 2.99Å; R242-I245 PolarHBondContact O-N 3Å; R242-E246 IonicContact CZ-OE1 2.91Å; R242-E246 IonicContact NE-OE1 3.03Å; R242-E246 PolarHBondContact NE-OE1 2.8Å; R242-E246 IonicContact NH2-OE1 2.63Å; R242-E246 PolarHBondContact NH2-OE1 2.79Å; R242-E246 WeakPolarHBondContact O-CG 3.5Å; R242-E246 PolarHBondContact O-N 2.69Å; R242-E246 VanDerWaalsContact O-N 3.09Å; R242-L294 HydrophobicContact CG-CD1 3.87Å; R242-Y424 PolarHBondContact NH1-OH 3.41Å
243I98.9Very high98.8Very high5 Ų572.9 Ų72.93%0.02633%0.33CS..Hα-helixtrans-57.5-47.4177.2-71.6159.9000110.7I239 R240 E241 I245 E246 E247 L294 Q295 E299I239-I243 HydrophobicContact CG2-CD1 3.95Å; I239-I243 HydrophobicContact CG2-CG1 4.42Å; I239-I243 VanDerWaalsContact O-CG1 3.32Å; I239-I243 WeakPolarHBondContact O-CG1 3.4Å; I239-I243 PolarHBondContact O-N 3.42Å; R240-I243 WeakPolarHBondContact O-CB 3.44Å; R240-I243 PolarHBondContact O-N 2.97Å; E241-I243 PolarHBondContact O-N 2.78Å; I243-I245 VanDerWaalsContact C-N 3.32Å; I243-I245 PolarHBondContact O-N 3.24Å; I243-E246 PolarHBondContact O-N 3.28Å; I243-E246 VanDerWaalsContact O-N 3.15Å; I243-E247 HydrophobicContact CG2-CG 4.35Å; I243-E247 WeakPolarHBondContact O-CG 3.39Å; I243-E247 PolarHBondContact O-N 3.39Å; I243-L294 HydrophobicContact CD1-CB 3.99Å; I243-L294 HydrophobicContact CG1-CB 3.63Å; I243-L294 HydrophobicContact CG1-CD1 4.08Å; I243-Q295 HydrophobicContact CD1-CB 3.83Å; I243-Q295 HydrophobicContact CD1-CG 4.44Å; I243-E299 HydrophobicContact CD1-CB 4.17Å; I243-E299 VanDerWaalsContact CD1-OE2 3.32Å; I243-E299 WeakPolarHBondContact CD1-OE2 3.32Å
244K98.9Very high98.8Very high99 Ų9971 Ų7143%0.4333%0.33SS..Hα-helixtrans-59.6-41.5178.3-69.8173.7-177.6168.80112.7R240 E241 R242 E246 E247 E248R240-K244 WeakPolarHBondContact O-CG 3.02Å; R240-K244 PolarHBondContact O-N 2.85Å; E241-K244 PolarHBondContact O-N 3Å; E241-K244 IonicContact OE1-NZ 3.95Å; E241-K244 PolarHBondContact OE1-NZ 3.19Å; E241-K244 IonicContact OE2-NZ 2.71Å; E241-K244 PolarHBondContact OE2-NZ 2.81Å; R242-K244 VanDerWaalsContact C-N 3.35Å; R242-K244 PolarHBondContact O-N 2.99Å; K244-E246 VanDerWaalsContact C-N 3.32Å; K244-E246 PolarHBondContact O-N 2.89Å; K244-E247 PolarHBondContact O-N 2.93Å; K244-E248 WeakPolarHBondContact O-CB 3.18Å; K244-E248 PolarHBondContact O-N 3.43Å
245I98.9Very high98.8Very high106 Ų10674.4 Ų74.454%0.54434%0.343SS..Hα-helixtrans-60.5-45.1176.5-68.8165.1000110.3E241 R242 I243 E248 Y249E241-I245 WeakPolarHBondContact O-CG1 3.36Å; E241-I245 PolarHBondContact O-N 3.34Å; E241-I245 VanDerWaalsContact O-N 3.13Å; R242-I245 PolarHBondContact O-N 3Å; I243-I245 VanDerWaalsContact C-N 3.32Å; I243-I245 PolarHBondContact O-N 3.24Å; I245-E248 PolarHBondContact O-N 3.14Å; I245-Y249 VanDerWaalsContact O-CB 3.32Å; I245-Y249 WeakPolarHBondContact O-CB 3.41Å; I245-Y249 PolarHBondContact O-N 2.91Å
246E98.8Very high98.8Very high12 Ų1275 Ų756%0.05635%0.347CS..Hα-helixtrans-65.7-40.2178.5-64.9-65.3164.700112.3R242 I243 K244 Y249 A250 H287 F290R242-E246 IonicContact CZ-OE1 2.91Å; R242-E246 IonicContact NE-OE1 3.03Å; R242-E246 PolarHBondContact NE-OE1 2.8Å; R242-E246 IonicContact NH2-OE1 2.63Å; R242-E246 PolarHBondContact NH2-OE1 2.79Å; R242-E246 WeakPolarHBondContact O-CG 3.5Å; R242-E246 PolarHBondContact O-N 2.69Å; R242-E246 VanDerWaalsContact O-N 3.09Å; I243-E246 PolarHBondContact O-N 3.28Å; I243-E246 VanDerWaalsContact O-N 3.15Å; K244-E246 VanDerWaalsContact C-N 3.32Å; K244-E246 PolarHBondContact O-N 2.89Å; E246-Y249 PolarHBondContact O-N 2.88Å; E246-A250 WeakPolarHBondContact O-CB 3.17Å; E246-A250 PolarHBondContact O-N 3.2Å; E246-H287 IonicContact OE2-CE1 3.58Å; E246-H287 IonicContact OE2-CG 2.8Å; E246-H287 IonicContact OE2-ND1 3.61Å; E246-H287 PolarHBondContact OE2-ND1 3.03Å; E246-F290 HydrophobicContact CG-CD1 3.83Å; E246-F290 HydrophobicContact CG-CE1 3.82Å
247E98.8Very high98.8Very high83 Ų8375.4 Ų75.439%0.38835%0.35SS..Hα-helixtrans-63.2-42.9176.1-72174.4164.300112I243 K244 K251I243-E247 HydrophobicContact CG2-CG 4.35Å; I243-E247 WeakPolarHBondContact O-CG 3.39Å; I243-E247 PolarHBondContact O-N 3.39Å; K244-E247 PolarHBondContact O-N 2.93Å; E247-K251 VanDerWaalsContact O-CB 3.28Å; E247-K251 WeakPolarHBondContact O-CB 3.44Å; E247-K251 PolarHBondContact O-N 3.2Å
248E98.9Very high98.8Very high125 Ų12578.6 Ų78.658%0.58437%0.365SS*.Hα-helixtrans-68.1-40.9176.6-175.2168.7-16700111.8K244 I245 K251 N252K244-E248 WeakPolarHBondContact O-CB 3.18Å; K244-E248 PolarHBondContact O-N 3.43Å; I245-E248 PolarHBondContact O-N 3.14Å; E248-K251 PolarHBondContact O-N 3.23Å; E248-N252 VanDerWaalsContact O-CG 3.28Å; E248-N252 PolarHBondContact O-N 2.8Å; E248-N252 PolarHBondContact O-ND2 3.42Å
249Y98.9Very high98.7Very high102 Ų10274.8 Ų74.840%0.435%0.351SS..Hα-helixtrans-59.4-51.3174.6-179.3-111.3000111.6I245 E246 K251 N252 L253 H287I245-Y249 VanDerWaalsContact O-CB 3.32Å; I245-Y249 WeakPolarHBondContact O-CB 3.41Å; I245-Y249 PolarHBondContact O-N 2.91Å; E246-Y249 PolarHBondContact O-N 2.88Å; Y249-K251 VanDerWaalsContact C-N 3.32Å; Y249-K251 PolarHBondContact O-N 3.49Å; Y249-N252 PolarHBondContact O-N 3.28Å; Y249-N252 VanDerWaalsContact O-N 3.16Å; Y249-L253 HydrophobicContact CD1-CD1 3.97Å; Y249-L253 HydrophobicContact CE1-CD1 3.4Å; Y249-L253 HydrophobicContact CE1-CG 4.23Å; Y249-L253 HydrophobicContact CE2-CD1 4.32Å; Y249-L253 HydrophobicContact CE2-CG 4.33Å; Y249-L253 PolarHBondContact O-N 2.98Å; Y249-H287 HydrophobicContact CD1-CB 4.25Å; Y249-H287 AromaticContact CD1-CE1 3.95Å; Y249-H287 AromaticContact CD1-CG 3.75Å; Y249-H287 AromaticContact CD1-ND1 3.65Å; Y249-H287 AromaticContact CE1-CD2 3.71Å; Y249-H287 AromaticContact CE1-CE1 3.65Å; Y249-H287 AromaticContact CE1-CG 3.84Å; Y249-H287 AromaticContact CE1-ND1 3.8Å; Y249-H287 AromaticContact CE1-NE2 3.6Å
250A98.9Very high98.7Very high4 Ų479 Ų793%0.03338%0.378CS..Hα-helixtrans-58.1-43.3175.900000112E246 N252 L253 S254 A284 H287 L288E246-A250 WeakPolarHBondContact O-CB 3.17Å; E246-A250 PolarHBondContact O-N 3.2Å; A250-N252 VanDerWaalsContact C-N 3.32Å; A250-N252 PolarHBondContact O-N 3.03Å; A250-L253 PolarHBondContact O-N 2.59Å; A250-S254 WeakPolarHBondContact O-CB 3.38Å; A250-S254 PolarHBondContact O-N 2.99Å; A250-A284 WeakPolarHBondContact CB-O 3.33Å; A250-A284 VanDerWaalsContact O-CB 3.29Å; A250-A284 WeakPolarHBondContact O-CB 3.18Å; A250-H287 HydrophobicContact CB-CB 4.09Å; A250-L288 HydrophobicContact CB-CB 4.13Å
251K98.8Very high98.6Very high153 Ų15379.4 Ų79.467%0.66539%0.387SS*.Hα-helixtrans-60.5-41.5176.9-178.2-178.1178.6-176.80112.2E247 E248 Y249 K255E247-K251 VanDerWaalsContact O-CB 3.28Å; E247-K251 WeakPolarHBondContact O-CB 3.44Å; E247-K251 PolarHBondContact O-N 3.2Å; E248-K251 PolarHBondContact O-N 3.23Å; Y249-K251 VanDerWaalsContact C-N 3.32Å; Y249-K251 PolarHBondContact O-N 3.49Å; K251-K255 WeakPolarHBondContact O-CB 3.35Å; K251-K255 PolarHBondContact O-N 3.48Å
252N98.9Very high98.6Very high89 Ų8977.5 Ų77.548%0.47639%0.389SS..Hα-helixtrans-69.3-41.9179.7-71.6-26000111.9E248 Y249 A250 K255 L256E248-N252 VanDerWaalsContact O-CG 3.28Å; E248-N252 PolarHBondContact O-N 2.8Å; E248-N252 PolarHBondContact O-ND2 3.42Å; Y249-N252 PolarHBondContact O-N 3.28Å; Y249-N252 VanDerWaalsContact O-N 3.16Å; A250-N252 VanDerWaalsContact C-N 3.32Å; A250-N252 PolarHBondContact O-N 3.03Å; N252-K255 PolarHBondContact O-N 3.11Å; N252-L256 WeakPolarHBondContact O-CB 3.33Å; N252-L256 PolarHBondContact O-N 2.85Å
253L98.9Very high98.4Very high19 Ų1978.6 Ų78.610%0.09941%0.405CS..Hα-helixtrans-60.6-46.8172.9-73.6178.5000111.9Y249 A250 K255 L256 S257 L280 E283 A284Y249-L253 HydrophobicContact CD1-CD1 3.97Å; Y249-L253 HydrophobicContact CE1-CD1 3.4Å; Y249-L253 HydrophobicContact CE1-CG 4.23Å; Y249-L253 HydrophobicContact CE2-CD1 4.32Å; Y249-L253 HydrophobicContact CE2-CG 4.33Å; Y249-L253 PolarHBondContact O-N 2.98Å; A250-L253 PolarHBondContact O-N 2.59Å; L253-K255 VanDerWaalsContact C-N 3.3Å; L253-K255 PolarHBondContact O-N 3.3Å; L253-L256 PolarHBondContact O-N 2.82Å; L253-L256 VanDerWaalsContact O-N 3.16Å; L253-S257 PolarHBondContact O-N 3.22Å; L253-L280 HydrophobicContact CD2-CG 4.36Å; L253-E283 HydrophobicContact CD1-CB 4.03Å; L253-A284 HydrophobicContact CB-CB 3.79Å
254S98.7Very high98.3Very high58 Ų5886.7 Ų86.741%0.40644%0.442SS..Hα-helixtrans-60.7-38.5176.6179.40000112.1A250 S257 Q258A250-S254 WeakPolarHBondContact O-CB 3.38Å; A250-S254 PolarHBondContact O-N 2.99Å; S254-S257 PolarHBondContact O-OG 2.86Å; S254-Q258 WeakPolarHBondContact O-CG 3.49Å
255K98.7Very high98.3Very high153 Ų15386.8 Ų86.867%0.66545%0.445SS*.Hα-helixtrans-67.8-41.9174.8-173.3-179.5178.1-174.20111.9K251 N252 L253 Q258 I259K251-K255 WeakPolarHBondContact O-CB 3.35Å; K251-K255 PolarHBondContact O-N 3.48Å; N252-K255 PolarHBondContact O-N 3.11Å; L253-K255 VanDerWaalsContact C-N 3.3Å; L253-K255 PolarHBondContact O-N 3.3Å; K255-Q258 PolarHBondContact O-N 3.11Å; K255-I259 WeakPolarHBondContact O-CG1 3.34Å
256L98.7Very high98.2Very high85 Ų8587.3 Ų87.345%0.44544%0.444SS..Hα-helixtrans-65-40.1-179.3-18056.5000112N252 L253 Q258 I259 L280N252-L256 WeakPolarHBondContact O-CB 3.33Å; N252-L256 PolarHBondContact O-N 2.85Å; L253-L256 PolarHBondContact O-N 2.82Å; L253-L256 VanDerWaalsContact O-N 3.16Å; L256-Q258 PolarHBondContact O-N 2.73Å; L256-Q258 VanDerWaalsContact O-N 3.16Å; L256-I259 HydrophobicContact CD1-CD1 3.84Å; L256-I259 PolarHBondContact O-N 2.95Å; L256-I259 VanDerWaalsContact O-N 3.15Å; L256-L280 HydrophobicContact CB-CD2 4.3Å; L256-L280 HydrophobicContact CD2-CD2 3.58Å; L256-L280 HydrophobicContact CG-CD2 3.72Å
257S98.4Very high98.1Very high10 Ų1088.1 Ų88.17%0.0746%0.457CS..Hα-helixtrans-60.5-25178.864.40000113.8L253 S254 K277L253-S257 PolarHBondContact O-N 3.22Å; S254-S257 PolarHBondContact O-OG 2.86Å; S257-K277 WeakPolarHBondContact CB-O 3.31Å
258Q98.1Very high98.1Very high141 Ų14184.9 Ų84.966%0.65944%0.442SS*.THydrogen-bonded Turntrans-92.2-3.8-178.7-58.1-55.4-39.500114.1S254 K255 L256S254-Q258 WeakPolarHBondContact O-CG 3.49Å; K255-Q258 PolarHBondContact O-N 3.11Å; L256-Q258 PolarHBondContact O-N 2.73Å; L256-Q258 VanDerWaalsContact O-N 3.16Å
259I97.9Very high98.1Very high65 Ų6582.7 Ų82.733%0.33343%0.434SS..  trans-72.8129.6-179.1-52.8-175.4000109.3K255 L256 L261K255-I259 WeakPolarHBondContact O-CG1 3.34Å; L256-I259 HydrophobicContact CD1-CD1 3.84Å; L256-I259 PolarHBondContact O-N 2.95Å; L256-I259 VanDerWaalsContact O-N 3.15Å; I259-L261 HydrophobicContact CG2-CD1 4.12Å; I259-L261 HydrophobicContact CG2-CG 3.73Å; I259-L261 PolarHBondContact O-N 3.25Å
260P97.1Very high98.1Very high95 Ų9578.3 Ų78.362%0.61742%0.42SS*.  trans-79.440.8-176.834.6-37.9000113S263P260-S263 PolarHBondContact O-OG 3.3Å
261L97.9Very high98Very high110 Ų11083.9 Ų83.958%0.57645%0.445SS*.THydrogen-bonded Turntrans-71.9136.2173.6-67.5174.2000110.1I259 S263 W273 K277I259-L261 HydrophobicContact CG2-CD1 4.12Å; I259-L261 HydrophobicContact CG2-CG 3.73Å; I259-L261 PolarHBondContact O-N 3.25Å; L261-S263 PolarHBondContact O-N 2.86Å; L261-W273 PolarHBondContact O-NE1 3.12Å; L261-K277 PolarHBondContact O-NZ 3.07Å
262A97.8Very high98Very high58 Ų5876.8 Ų76.848%0.47942%0.415SS..THydrogen-bonded Turntrans46.636.2-177.300000113.1Q264 E265 W273A262-Q264 PolarHBondContact O-N 3.4Å; A262-E265 PolarHBondContact O-N 3.41Å; A262-W273 HydrophobicContact CB-CZ2 4.25Å; A262-W273 VanDerWaalsContact O-CD1 3.25Å; A262-W273 PolarHBondContact O-NE1 2.97Å
263S96.3Very high98Very high78 Ų7877 Ų7755%0.54541%0.409SS..THydrogen-bonded Turntrans-74-8.5178.963.50000113.7P260 L261P260-S263 PolarHBondContact O-OG 3.3Å; L261-S263 PolarHBondContact O-N 2.86Å
264Q97.1Very high98Very high175 Ų17578.6 Ų78.682%0.81843%0.425SS*.THydrogen-bonded Turntrans-94.40.4175.7-65.2-179.8-23.400112.2A262 E266A262-Q264 PolarHBondContact O-N 3.4Å; Q264-E266 PolarHBondContact O-N 3Å
265E98.1Very high98Very high102 Ų10277.4 Ų77.448%0.47741%0.413SS..  trans-67.7130.9171.4-167.463.4-109.700108.9A262 L269 G270A262-E265 PolarHBondContact O-N 3.41Å; E265-L269 HydrophobicContact CG-CD2 4.23Å; E265-L269 HydrophobicContact CG-CG 4.11Å; E265-G270 WeakPolarHBondContact O-CA 3.35Å
266E96.8Very high98Very high116 Ų11673 Ų7354%0.54240%0.397SS..  trans-113.6177.9-171.3-69.1178.3167.200111.3Q264 G270Q264-E266 PolarHBondContact O-N 3Å; E266-G270 PolarHBondContact O-N 3.41Å
267G97.3Very high98Very high30 Ų3070.9 Ų70.931%0.30938%0.384SS..Hα-helixtrans66.9-162.3176.500000114L269 G270 E271G267-L269 VanDerWaalsContact C-N 3.26Å; G267-L269 PolarHBondContact O-N 2.71Å; G267-G270 PolarHBondContact O-N 3.09Å; G267-E271 PolarHBondContact O-N 3.4Å
268T98.4Very high98Very high14 Ų1475.9 Ų75.99%0.08640%0.404CS..Hα-helixtrans-63.1-32.5-179.660.20000112.2A272 D450 K453 D454T268-A272 PolarHBondContact O-N 3.22Å; T268-A272 VanDerWaalsContact O-N 3.15Å; T268-D450 PolarHBondContact OG1-N 2.82Å; T268-K453 HydrophobicContact CG2-CD 4.34Å; T268-D454 WeakPolarHBondContact CB-OD1 3.44Å; T268-D454 WeakPolarHBondContact CG2-OD1 3.37Å; T268-D454 VanDerWaalsContact N-CG 3.32Å; T268-D454 PolarHBondContact N-OD1 3.35Å; T268-D454 PolarHBondContact N-OD2 3.23Å; T268-D454 VanDerWaalsContact N-OD2 3.15Å; T268-D454 PolarHBondContact OG1-OD1 3.44Å; T268-D454 PolarHBondContact OG1-OD2 2.93Å
269L98.6Very high98Very high80 Ų8069.2 Ų69.242%0.41937%0.373SS..Hα-helixtrans-65.7-44.1172.4-177.662.1000112.2E265 G267 E271 A272 W273 V449 D454E265-L269 HydrophobicContact CG-CD2 4.23Å; E265-L269 HydrophobicContact CG-CG 4.11Å; G267-L269 VanDerWaalsContact C-N 3.26Å; G267-L269 PolarHBondContact O-N 2.71Å; L269-E271 VanDerWaalsContact C-N 3.35Å; L269-E271 PolarHBondContact O-N 3.36Å; L269-A272 PolarHBondContact O-N 3.19Å; L269-W273 PolarHBondContact O-N 3.35Å; L269-V449 HydrophobicContact CB-CG1 4.38Å; L269-V449 HydrophobicContact CD1-CG1 4.42Å; L269-D454 PolarHBondContact N-OD2 3.41Å; L269-D454 VanDerWaalsContact N-OD2 3.12Å
270G98.3Very high98Very high9 Ų967.6 Ų67.69%0.09337%0.365CS..Hα-helixtrans-61-40.8176.400000113E265 E266 G267 W273 A274E265-G270 WeakPolarHBondContact O-CA 3.35Å; E266-G270 PolarHBondContact O-N 3.41Å; G267-G270 PolarHBondContact O-N 3.09Å; G270-W273 PolarHBondContact O-N 3.24Å; G270-A274 WeakPolarHBondContact O-CB 3.43Å; G270-A274 PolarHBondContact O-N 3.28Å
271E98.4Very high98.1Very high122 Ų12264.3 Ų64.357%0.5735%0.346SS*.Hα-helixtrans-61.5-45.6174-71178.3-176.900112.2G267 L269 A274 Q275G267-E271 PolarHBondContact O-N 3.4Å; L269-E271 VanDerWaalsContact C-N 3.35Å; L269-E271 PolarHBondContact O-N 3.36Å; E271-A274 PolarHBondContact O-N 2.9Å; E271-Q275 PolarHBondContact O-N 3.03Å
272A98.6Very high98.1Very high3 Ų361.6 Ų61.63%0.02533%0.332CS..Hα-helixtrans-62.9-42.1176.700000112T268 L269 Q275 L276 L445 L446 V449T268-A272 PolarHBondContact O-N 3.22Å; T268-A272 VanDerWaalsContact O-N 3.15Å; L269-A272 PolarHBondContact O-N 3.19Å; A272-Q275 PolarHBondContact O-N 3.29Å; A272-L276 PolarHBondContact O-N 3.39Å; A272-L445 HydrophobicContact CB-CB 4.02Å; A272-L446 HydrophobicContact CB-CD2 4.02Å; A272-V449 HydrophobicContact CB-CG2 3.98Å
273W98.6Very high98.2Very high93 Ų9360 Ų6035%0.35231%0.314SS..Hα-helixtrans-62.5-43.2174.4173.8-115.7000112.5L261 A262 L269 G270 Q275 L276 K277L261-W273 PolarHBondContact O-NE1 3.12Å; A262-W273 HydrophobicContact CB-CZ2 4.25Å; A262-W273 VanDerWaalsContact O-CD1 3.25Å; A262-W273 PolarHBondContact O-NE1 2.97Å; L269-W273 PolarHBondContact O-N 3.35Å; G270-W273 PolarHBondContact O-N 3.24Å; W273-Q275 VanDerWaalsContact C-N 3.31Å; W273-Q275 PolarHBondContact O-N 3.48Å; W273-L276 HydrophobicContact CE3-CD2 4.02Å; W273-L276 HydrophobicContact CZ3-CD2 3.9Å; W273-L276 PolarHBondContact O-N 3.17Å; W273-K277 HydrophobicContact CZ2-CD 4.07Å; W273-K277 HydrophobicContact CZ2-CG 4.24Å; W273-K277 PolarHBondContact O-N 3.03Å; W273-K277 VanDerWaalsContact O-N 3.1Å
274A98.4Very high98.3Very high53 Ų5356.5 Ų56.544%0.43829%0.29SS..Hα-helixtrans-61.8-40.5176.300000111.8G270 E271 K277 K278G270-A274 WeakPolarHBondContact O-CB 3.43Å; G270-A274 PolarHBondContact O-N 3.28Å; E271-A274 PolarHBondContact O-N 2.9Å; A274-K277 PolarHBondContact O-N 3.24Å; A274-K278 PolarHBondContact O-N 2.78Å
275Q98.6Very high98.4Very high33 Ų3352.8 Ų52.815%0.15427%0.273CS..Hα-helixtrans-69.4-34.9177.3-176.355.159.600113E271 A272 W273 K278 S279 P441 V442 L445E271-Q275 PolarHBondContact O-N 3.03Å; A272-Q275 PolarHBondContact O-N 3.29Å; W273-Q275 VanDerWaalsContact C-N 3.31Å; W273-Q275 PolarHBondContact O-N 3.48Å; Q275-K278 WeakPolarHBondContact O-CB 3.31Å; Q275-K278 PolarHBondContact O-N 2.8Å; Q275-S279 PolarHBondContact O-N 3.45Å; Q275-P441 HydrophobicContact CG-CB 4.14Å; Q275-V442 HydrophobicContact CG-CG2 4.24Å; Q275-L445 HydrophobicContact CB-CD1 3.34Å; Q275-L445 HydrophobicContact CG-CD1 3.64Å
276L98.5Very high98.4Very high62 Ų6249 Ų4933%0.32526%0.257SS..Hα-helixtrans-62.3-42.6171.4178.263.6000111.4A272 W273 K278 S279 L280 V442A272-L276 PolarHBondContact O-N 3.39Å; W273-L276 HydrophobicContact CE3-CD2 4.02Å; W273-L276 HydrophobicContact CZ3-CD2 3.9Å; W273-L276 PolarHBondContact O-N 3.17Å; L276-K278 VanDerWaalsContact C-N 3.29Å; L276-K278 PolarHBondContact O-N 3.35Å; L276-S279 PolarHBondContact O-N 3.14Å; L276-S279 PolarHBondContact O-OG 3.4Å; L276-L280 WeakPolarHBondContact O-CD1 3.39Å; L276-L280 PolarHBondContact O-N 3.38Å; L276-V442 HydrophobicContact CB-CG1 4.16Å; L276-V442 HydrophobicContact CD1-CG1 4.14Å; L276-V442 HydrophobicContact CD1-CG2 4.42Å
277K98.4Very high98.5Very high39 Ų3944.5 Ų44.517%0.1724%0.236CC..Hα-helixtrans-63.2-39.2173.9-68.9-169.6-63.5-177.60111.7S257 L261 W273 A274 L280S257-K277 WeakPolarHBondContact CB-O 3.31Å; L261-K277 PolarHBondContact O-NZ 3.07Å; W273-K277 HydrophobicContact CZ2-CD 4.07Å; W273-K277 HydrophobicContact CZ2-CG 4.24Å; W273-K277 PolarHBondContact O-N 3.03Å; W273-K277 VanDerWaalsContact O-N 3.1Å; A274-K277 PolarHBondContact O-N 3.24Å; K277-L280 WeakPolarHBondContact O-CB 3.38Å; K277-L280 PolarHBondContact O-N 2.87Å
278K98.4Very high98.6Very high116 Ų11647.2 Ų47.250%0.50424%0.243SC..Hα-helixtrans-63.9-40.2175.6-176.8-179.6170.8-170.50112.3A274 Q275 L276 L280 A281 D282A274-K278 PolarHBondContact O-N 2.78Å; Q275-K278 WeakPolarHBondContact O-CB 3.31Å; Q275-K278 PolarHBondContact O-N 2.8Å; L276-K278 VanDerWaalsContact C-N 3.29Å; L276-K278 PolarHBondContact O-N 3.35Å; K278-L280 PolarHBondContact O-N 2.94Å; K278-A281 WeakPolarHBondContact O-CA 3.37Å; K278-A281 VanDerWaalsContact O-CB 3.26Å; K278-A281 WeakPolarHBondContact O-CB 3.43Å; K278-A281 PolarHBondContact O-N 3.21Å; K278-D282 PolarHBondContact O-N 2.84Å; K278-D282 VanDerWaalsContact O-N 3.14Å
279S98.6Very high98.6Very high0 Ų052.1 Ų52.10%026%0.263CS..Hα-helixtrans-61-33.1179.369.70000112.1Q275 L276 A281 D282 E283 T438 M439Q275-S279 PolarHBondContact O-N 3.45Å; L276-S279 PolarHBondContact O-N 3.14Å; L276-S279 PolarHBondContact O-OG 3.4Å; S279-A281 VanDerWaalsContact C-N 3.26Å; S279-A281 PolarHBondContact O-N 3.22Å; S279-D282 CarbonylContact O-C 3.59Å; S279-D282 WeakPolarHBondContact O-CB 3.35Å; S279-D282 PolarHBondContact O-N 3.36Å; S279-D282 VanDerWaalsContact O-N 3.08Å; S279-E283 WeakPolarHBondContact O-CG 3.16Å; S279-E283 PolarHBondContact O-N 3.06Å; S279-T438 WeakPolarHBondContact CB-O 3.48Å; S279-M439 VanDerWaalsContact OG-CE 3.3Å; S279-M439 WeakPolarHBondContact OG-CE 3.44Å
280L98.8Very high98.6Very high32 Ų3248.4 Ų48.417%0.16824%0.243CC..Hα-helixtrans-61.5-31.7171.5-92.464.6000113.1L253 L256 L276 K277 K278 A284L253-L280 HydrophobicContact CD2-CG 4.36Å; L256-L280 HydrophobicContact CB-CD2 4.3Å; L256-L280 HydrophobicContact CD2-CD2 3.58Å; L256-L280 HydrophobicContact CG-CD2 3.72Å; L276-L280 WeakPolarHBondContact O-CD1 3.39Å; L276-L280 PolarHBondContact O-N 3.38Å; K277-L280 WeakPolarHBondContact O-CB 3.38Å; K277-L280 PolarHBondContact O-N 2.87Å; K278-L280 PolarHBondContact O-N 2.94Å; L280-A284 WeakPolarHBondContact O-CB 3.45Å; L280-A284 PolarHBondContact O-N 3.49Å; L280-A284 VanDerWaalsContact O-N 3.08Å
281A98.6Very high98.6Very high26 Ų2648 Ų4822%0.21524%0.239CC..Hα-helixtrans-71.2-38.5172.700000111.4K278 S279 A284 E285K278-A281 WeakPolarHBondContact O-CA 3.37Å; K278-A281 VanDerWaalsContact O-CB 3.26Å; K278-A281 WeakPolarHBondContact O-CB 3.43Å; K278-A281 PolarHBondContact O-N 3.21Å; S279-A281 VanDerWaalsContact C-N 3.26Å; S279-A281 PolarHBondContact O-N 3.22Å; A281-A284 WeakPolarHBondContact O-CB 3.34Å; A281-A284 PolarHBondContact O-N 2.87Å; A281-E285 PolarHBondContact O-N 2.93Å; A281-E285 VanDerWaalsContact O-N 3.08Å
282D98.6Very high98.6Very high52 Ų5245.1 Ų45.128%0.27823%0.232SC..Hα-helixtrans-66.5-42.1176.2-59.3-30.7000110.8K278 S279 A284 E285 V286 T438K278-D282 PolarHBondContact O-N 2.84Å; K278-D282 VanDerWaalsContact O-N 3.14Å; S279-D282 CarbonylContact O-C 3.59Å; S279-D282 WeakPolarHBondContact O-CB 3.35Å; S279-D282 PolarHBondContact O-N 3.36Å; S279-D282 VanDerWaalsContact O-N 3.08Å; D282-A284 PolarHBondContact O-N 2.83Å; D282-E285 WeakPolarHBondContact O-CB 3.35Å; D282-E285 PolarHBondContact O-N 3.4Å; D282-V286 WeakPolarHBondContact O-CG2 3.48Å; D282-V286 PolarHBondContact O-N 3.28Å; D282-T438 HydrophobicContact CB-CG2 4.15Å
283E98.8Very high98.6Very high25 Ų2548.4 Ų48.412%0.11725%0.246CC..Hα-helixtrans-58.3-45.2171.5-71.8-179.3-122.300111.5L253 S279 E285 V286 H287 N435 T438 M439L253-E283 HydrophobicContact CD1-CB 4.03Å; S279-E283 WeakPolarHBondContact O-CG 3.16Å; S279-E283 PolarHBondContact O-N 3.06Å; E283-E285 VanDerWaalsContact C-N 3.27Å; E283-E285 PolarHBondContact O-N 2.99Å; E283-V286 PolarHBondContact O-N 3.11Å; E283-H287 PolarHBondContact O-CD2 3.49Å; E283-H287 PolarHBondContact O-N 2.87Å; E283-N435 WeakPolarHBondContact CG-OD1 3.38Å; E283-T438 HydrophobicContact CG-CG2 4.15Å; E283-T438 WeakPolarHBondContact CG-OG1 3.45Å; E283-M439 HydrophobicContact CG-CE 4.46Å; E283-M439 WeakPolarHBondContact OE1-CE 3.44Å
284A98.8Very high98.7Very high5 Ų544 Ų444%0.04123%0.229CC..Hα-helixtrans-57.2-41.7175.400000111.9A250 L253 L280 A281 D282 H287 L288A250-A284 WeakPolarHBondContact CB-O 3.33Å; A250-A284 VanDerWaalsContact O-CB 3.29Å; A250-A284 WeakPolarHBondContact O-CB 3.18Å; L253-A284 HydrophobicContact CB-CB 3.79Å; L280-A284 WeakPolarHBondContact O-CB 3.45Å; L280-A284 PolarHBondContact O-N 3.49Å; L280-A284 VanDerWaalsContact O-N 3.08Å; A281-A284 WeakPolarHBondContact O-CB 3.34Å; A281-A284 PolarHBondContact O-N 2.87Å; D282-A284 PolarHBondContact O-N 2.83Å; A284-H287 PolarHBondContact O-N 2.79Å; A284-L288 WeakPolarHBondContact O-CB 3.26Å; A284-L288 PolarHBondContact O-N 3.5Å
285E98.7Very high98.7Very high97 Ų9746.3 Ų46.345%0.45323%0.231SC..Hα-helixtrans-66.6-40.2177.5-169.1-178.5164.600112.2A281 D282 E283 L288 K289A281-E285 PolarHBondContact O-N 2.93Å; A281-E285 VanDerWaalsContact O-N 3.08Å; D282-E285 WeakPolarHBondContact O-CB 3.35Å; D282-E285 PolarHBondContact O-N 3.4Å; E283-E285 VanDerWaalsContact C-N 3.27Å; E283-E285 PolarHBondContact O-N 2.99Å; E285-L288 PolarHBondContact O-N 3.41Å; E285-K289 HydrophobicContact CG-CD 4.34Å; E285-K289 WeakPolarHBondContact O-CB 3.39Å; E285-K289 WeakPolarHBondContact O-CG 3.48Å; E285-K289 PolarHBondContact O-N 2.96Å; E285-K289 WeakPolarHBondContact OE1-CE 3.5Å; E285-K289 IonicContact OE1-NZ 3.43Å; E285-K289 PolarHBondContact OE1-NZ 3.32Å
286V98.7Very high98.7Very high22 Ų2247.8 Ų47.813%0.13325%0.245CC..Hα-helixtrans-58.4-48.9175169.80000110.8D282 E283 K289 F290 T431 F434 N435 T438D282-V286 WeakPolarHBondContact O-CG2 3.48Å; D282-V286 PolarHBondContact O-N 3.28Å; E283-V286 PolarHBondContact O-N 3.11Å; V286-K289 PolarHBondContact O-N 2.98Å; V286-F290 PolarHBondContact O-N 3.46Å; V286-T431 HydrophobicContact CG1-CG2 3.96Å; V286-F434 HydrophobicContact CG1-CB 3.93Å; V286-F434 HydrophobicContact CG2-CB 4.17Å; V286-N435 HydrophobicContact CG1-CB 4.23Å; V286-T438 HydrophobicContact CG2-CG2 4.22Å
287H98.8Very high98.7Very high21 Ų2147.9 Ų47.910%0.09724%0.244CC..Hα-helixtrans-68-35.9179.5-81.4-90.1000113E246 Y249 A250 E283 A284 F290 S291 N435E246-H287 IonicContact OE2-CE1 3.58Å; E246-H287 IonicContact OE2-CG 2.8Å; E246-H287 IonicContact OE2-ND1 3.61Å; E246-H287 PolarHBondContact OE2-ND1 3.03Å; Y249-H287 HydrophobicContact CD1-CB 4.25Å; Y249-H287 AromaticContact CD1-CE1 3.95Å; Y249-H287 AromaticContact CD1-CG 3.75Å; Y249-H287 AromaticContact CD1-ND1 3.65Å; Y249-H287 AromaticContact CE1-CD2 3.71Å; Y249-H287 AromaticContact CE1-CE1 3.65Å; Y249-H287 AromaticContact CE1-CG 3.84Å; Y249-H287 AromaticContact CE1-ND1 3.8Å; Y249-H287 AromaticContact CE1-NE2 3.6Å; A250-H287 HydrophobicContact CB-CB 4.09Å; E283-H287 PolarHBondContact O-CD2 3.49Å; E283-H287 PolarHBondContact O-N 2.87Å; A284-H287 PolarHBondContact O-N 2.79Å; H287-F290 WeakPolarHBondContact O-CB 3.41Å; H287-F290 PolarHBondContact O-N 3.33Å; H287-S291 PolarHBondContact O-N 3.45Å; H287-N435 PolarHBondContact NE2-OD1 3.24Å
288L98.8Very high98.7Very high88 Ų8846 Ų4646%0.46124%0.236SC..Hα-helixtrans-68.3-36.8175-172.463.9000112.5A250 A284 E285 S291 S292A250-L288 HydrophobicContact CB-CB 4.13Å; A284-L288 WeakPolarHBondContact O-CB 3.26Å; A284-L288 PolarHBondContact O-N 3.5Å; E285-L288 PolarHBondContact O-N 3.41Å; L288-S291 PolarHBondContact O-OG 2.71Å; L288-S292 PolarHBondContact O-N 2.81Å; L288-S292 VanDerWaalsContact O-N 3.14Å; L288-S292 PolarHBondContact O-OG 3.02Å
289K98.6Very high98.7Very high116 Ų11640.9 Ų40.950%0.50421%0.213SC..Hα-helixtrans-65.6-40.6171.7-76.2173-177.3163.90111.1E285 V286 S292 K293E285-K289 HydrophobicContact CG-CD 4.34Å; E285-K289 WeakPolarHBondContact O-CB 3.39Å; E285-K289 WeakPolarHBondContact O-CG 3.48Å; E285-K289 PolarHBondContact O-N 2.96Å; E285-K289 WeakPolarHBondContact OE1-CE 3.5Å; E285-K289 IonicContact OE1-NZ 3.43Å; E285-K289 PolarHBondContact OE1-NZ 3.32Å; V286-K289 PolarHBondContact O-N 2.98Å; K289-S292 PolarHBondContact O-N 3.28Å; K289-K293 WeakPolarHBondContact O-CG 3.46Å; K289-K293 PolarHBondContact O-N 2.99Å
290F98.8Very high98.7Very high3 Ų347 Ų471%0.01324%0.24CC..Hα-helixtrans-60.3-47.2175.6174-120.4000112.1E246 V286 H287 S292 K293 L294 L427 R428 T431E246-F290 HydrophobicContact CG-CD1 3.83Å; E246-F290 HydrophobicContact CG-CE1 3.82Å; V286-F290 PolarHBondContact O-N 3.46Å; H287-F290 WeakPolarHBondContact O-CB 3.41Å; H287-F290 PolarHBondContact O-N 3.33Å; F290-S292 VanDerWaalsContact C-N 3.3Å; F290-S292 PolarHBondContact O-N 2.96Å; F290-K293 PolarHBondContact O-N 2.79Å; F290-L294 HydrophobicContact CD1-CD1 4.27Å; F290-L294 HydrophobicContact CD2-CG 4.16Å; F290-L294 HydrophobicContact CE1-CD1 3.54Å; F290-L294 HydrophobicContact CE1-CG 4.06Å; F290-L294 HydrophobicContact CE2-CD1 4.01Å; F290-L294 HydrophobicContact CE2-CD2 3.68Å; F290-L294 HydrophobicContact CE2-CG 3.59Å; F290-L294 HydrophobicContact CZ-CD1 3.36Å; F290-L294 HydrophobicContact CZ-CD2 3.7Å; F290-L294 HydrophobicContact CZ-CG 3.5Å; F290-L294 PolarHBondContact O-N 3.13Å; F290-L427 HydrophobicContact CD2-CB 4.2Å; F290-L427 HydrophobicContact CE2-CB 3.83Å; F290-R428 HydrophobicContact CE2-CG 4.22Å; F290-R428 HydrophobicContact CZ-CG 3.91Å; F290-T431 HydrophobicContact CB-CG2 3.74Å; F290-T431 WeakPolarHBondContact CB-OG1 3.29Å; F290-T431 HydrophobicContact CD1-CG2 4.28Å; F290-T431 HydrophobicContact CD2-CG2 4.3Å; F290-T431 WeakPolarHBondContact CD2-OG1 3.44Å; F290-T431 HydrophobicContact CG-CG2 3.84Å; F290-T431 WeakPolarHBondContact CG-OG1 3.33Å
291S98.8Very high98.6Very high0 Ų046.8 Ų46.80%024%0.241CC..Hα-helixtrans-60.2-41.1177.5770000111.8H287 L288 L294 Q295H287-S291 PolarHBondContact O-N 3.45Å; L288-S291 PolarHBondContact O-OG 2.71Å; S291-L294 WeakPolarHBondContact O-CB 3.22Å; S291-L294 PolarHBondContact O-N 2.77Å; S291-Q295 PolarHBondContact O-N 3.16Å
292S98.8Very high98.6Very high61 Ų6145.6 Ų45.643%0.42723%0.231SC..Hα-helixtrans-62.7-42.9175.8-59.80000112.4L288 K289 F290 Q295 S296L288-S292 PolarHBondContact O-N 2.81Å; L288-S292 VanDerWaalsContact O-N 3.14Å; L288-S292 PolarHBondContact O-OG 3.02Å; K289-S292 PolarHBondContact O-N 3.28Å; F290-S292 VanDerWaalsContact C-N 3.3Å; F290-S292 PolarHBondContact O-N 2.96Å; S292-Q295 PolarHBondContact O-N 2.8Å; S292-S296 PolarHBondContact O-N 3.02Å; S292-S296 VanDerWaalsContact O-N 3.12Å; S292-S296 PolarHBondContact O-OG 2.92Å
293K98.7Very high98.5Very high73 Ų7346.3 Ų46.332%0.31723%0.234SC..Hα-helixtrans-67.2-40.4175.3-72.5-170180-176.20112.2K289 F290 Q295 S296 E297 L427 E430K289-K293 WeakPolarHBondContact O-CG 3.46Å; K289-K293 PolarHBondContact O-N 2.99Å; F290-K293 PolarHBondContact O-N 2.79Å; K293-Q295 VanDerWaalsContact C-N 3.25Å; K293-Q295 PolarHBondContact O-N 3.47Å; K293-S296 PolarHBondContact O-N 3.16Å; K293-S296 PolarHBondContact O-OG 3.16Å; K293-E297 VanDerWaalsContact O-CB 3.25Å; K293-E297 WeakPolarHBondContact O-CB 3.39Å; K293-E297 PolarHBondContact O-N 3.41Å; K293-L427 HydrophobicContact CB-CD1 4.03Å; K293-L427 HydrophobicContact CB-CD2 4.05Å; K293-L427 HydrophobicContact CD-CD2 3.56Å; K293-L427 HydrophobicContact CG-CD2 4.45Å; K293-E430 IonicContact NZ-OE2 2.63Å
294L98.8Very high98.4Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-56.9-42.1173.3-78.7-173.2000111.7I239 R242 I243 F290 S291 V298 E299 Y424 L427I239-L294 HydrophobicContact CG2-CB 4.44Å; R242-L294 HydrophobicContact CG-CD1 3.87Å; I243-L294 HydrophobicContact CD1-CB 3.99Å; I243-L294 HydrophobicContact CG1-CB 3.63Å; I243-L294 HydrophobicContact CG1-CD1 4.08Å; F290-L294 HydrophobicContact CD1-CD1 4.27Å; F290-L294 HydrophobicContact CD2-CG 4.16Å; F290-L294 HydrophobicContact CE1-CD1 3.54Å; F290-L294 HydrophobicContact CE1-CG 4.06Å; F290-L294 HydrophobicContact CE2-CD1 4.01Å; F290-L294 HydrophobicContact CE2-CD2 3.68Å; F290-L294 HydrophobicContact CE2-CG 3.59Å; F290-L294 HydrophobicContact CZ-CD1 3.36Å; F290-L294 HydrophobicContact CZ-CD2 3.7Å; F290-L294 HydrophobicContact CZ-CG 3.5Å; F290-L294 PolarHBondContact O-N 3.13Å; S291-L294 WeakPolarHBondContact O-CB 3.22Å; S291-L294 PolarHBondContact O-N 2.77Å; L294-V298 HydrophobicContact CD2-CG2 4.19Å; L294-V298 WeakPolarHBondContact O-CB 3.42Å; L294-V298 PolarHBondContact O-N 2.91Å; L294-V298 VanDerWaalsContact O-N 3.12Å; L294-E299 PolarHBondContact O-N 3.44Å; L294-Y424 HydrophobicContact CD1-CE2 4.46Å; L294-Y424 HydrophobicContact CD2-CD2 3.48Å; L294-Y424 VanDerWaalsContact CD2-CD2 3.48Å; L294-Y424 HydrophobicContact CD2-CE2 3.87Å; L294-L427 HydrophobicContact CD2-CD1 4.3Å
295Q98.8Very high98.3Very high102 Ų10250 Ų5048%0.47725%0.254SS..Iπ-helixtrans-64.2-50.2178.8-172177.551.300111.7I243 S291 S292 K293 K300I243-Q295 HydrophobicContact CD1-CB 3.83Å; I243-Q295 HydrophobicContact CD1-CG 4.44Å; S291-Q295 PolarHBondContact O-N 3.16Å; S292-Q295 PolarHBondContact O-N 2.8Å; K293-Q295 VanDerWaalsContact C-N 3.25Å; K293-Q295 PolarHBondContact O-N 3.47Å; Q295-K300 VanDerWaalsContact O-CB 3.25Å; Q295-K300 WeakPolarHBondContact O-CB 3.23Å; Q295-K300 PolarHBondContact O-N 2.93Å
296S98.7Very high97.9Very high64 Ų6449 Ų4945%0.44825%0.246SC..Iπ-helixtrans-78.7-35.9-172.960.70000113.7S292 K293 P301S292-S296 PolarHBondContact O-N 3.02Å; S292-S296 VanDerWaalsContact O-N 3.12Å; S292-S296 PolarHBondContact O-OG 2.92Å; K293-S296 PolarHBondContact O-N 3.16Å; K293-S296 PolarHBondContact O-OG 3.16Å; S296-P301 WeakPolarHBondContact O-CD 3.23Å
297E98.6Very high97.6Very high63 Ų6355.3 Ų55.329%0.29427%0.274SS..Iπ-helixtrans-103.7-11.1-170.9-58.5177.3-145.600113.9K293 H420 Q423 L427K293-E297 VanDerWaalsContact O-CB 3.25Å; K293-E297 WeakPolarHBondContact O-CB 3.39Å; K293-E297 PolarHBondContact O-N 3.41Å; E297-H420 PolarHBondContact O-CD2 3.06Å; E297-Q423 HydrophobicContact CB-CG 4.19Å; E297-Q423 PolarHBondContact OE2-NE2 2.89Å; E297-L427 HydrophobicContact CB-CD1 4.28Å
298V98.6Very high97.3Very high0 Ų059.7 Ų59.70%030%0.298CS..Iπ-helixtrans-128.5-57.9-179.7-172.30000112I239 L294 P301 F302 Q423 L427I239-V298 HydrophobicContact CD1-CG1 4.2Å; I239-V298 HydrophobicContact CG1-CG1 4.06Å; I239-V298 HydrophobicContact CG2-CB 4.41Å; I239-V298 HydrophobicContact CG2-CG1 4.31Å; L294-V298 HydrophobicContact CD2-CG2 4.19Å; L294-V298 WeakPolarHBondContact O-CB 3.42Å; L294-V298 PolarHBondContact O-N 2.91Å; L294-V298 VanDerWaalsContact O-N 3.12Å; V298-P301 WeakPolarHBondContact O-CD 3.31Å; V298-F302 HydrophobicContact CG1-CE2 4.24Å; V298-F302 PolarHBondContact O-N 3.24Å; V298-Q423 HydrophobicContact CG2-CB 4.48Å; V298-Q423 HydrophobicContact CG2-CG 4.38Å; V298-L427 HydrophobicContact CG2-CD1 4.09Å
299E98.7Very high97.1Very high8 Ų856 Ų564%0.03728%0.279CS..Iπ-helixtrans-64.5-52.8-176.7-170.7-163169.900111.8A236 I239 R240 I243 L294 F302 L303A236-E299 HydrophobicContact CB-CG 4.27Å; I239-E299 HydrophobicContact CB-CB 4.41Å; I239-E299 HydrophobicContact CG2-CB 3.93Å; R240-E299 IonicContact CZ-OE1 2.59Å; R240-E299 IonicContact NE-OE1 3.59Å; R240-E299 PolarHBondContact NE-OE1 3.5Å; R240-E299 IonicContact NH2-OE1 3.52Å; R240-E299 PolarHBondContact NH2-OE1 3.48Å; I243-E299 HydrophobicContact CD1-CB 4.17Å; I243-E299 VanDerWaalsContact CD1-OE2 3.32Å; I243-E299 WeakPolarHBondContact CD1-OE2 3.32Å; L294-E299 PolarHBondContact O-N 3.44Å; E299-F302 WeakPolarHBondContact O-CB 3.45Å; E299-F302 PolarHBondContact O-N 2.9Å; E299-F302 VanDerWaalsContact O-N 3.14Å; E299-L303 HydrophobicContact CG-CD1 4.21Å; E299-L303 PolarHBondContact O-N 3.43Å; E299-L303 VanDerWaalsContact O-N 3.13Å
300K98.3Very high96.9Very high130 Ų13057.9 Ų57.957%0.56529%0.287SS*.Hα-helixtrans-60.6-45.3-175.9-176.5178.8-176.2-179.60112.5Q295 F302 L303 T304Q295-K300 VanDerWaalsContact O-CB 3.25Å; Q295-K300 WeakPolarHBondContact O-CB 3.23Å; Q295-K300 PolarHBondContact O-N 2.93Å; K300-F302 VanDerWaalsContact C-N 3.3Å; K300-F302 PolarHBondContact O-N 3.16Å; K300-L303 PolarHBondContact O-N 3.01Å; K300-T304 HydrophobicContact CG-CG2 4.08Å; K300-T304 PolarHBondContact O-N 2.73Å; K300-T304 PolarHBondContact O-OG1 3.49Å; K300-T304 VanDerWaalsContact O-OG1 3.09Å
301P98.1Very high96.9Very high27 Ų2765.1 Ų65.118%0.17532%0.318CS..Hα-helixtrans-56.4-38.7173.1-28.536.3000114.3S296 V298 L303 F305 H420S296-P301 WeakPolarHBondContact O-CD 3.23Å; V298-P301 WeakPolarHBondContact O-CD 3.31Å; P301-L303 VanDerWaalsContact C-N 3.31Å; P301-L303 PolarHBondContact O-N 3.09Å; P301-F305 VanDerWaalsContact O-CB 3.27Å; P301-F305 WeakPolarHBondContact O-CB 3.46Å; P301-F305 PolarHBondContact O-N 2.69Å; P301-H420 VanDerWaalsContact CB-CD2 3.43Å; P301-H420 WeakPolarHBondContact CB-CD2 3.45Å; P301-H420 WeakPolarHBondContact CB-NE2 3.28Å
302F97.6Very high96.7Very high1 Ų167 Ų670%0.00433%0.328CS..Hα-helixtrans-65-32.8173.4-71.8-14000112.9Q232 M235 A236 V298 E299 K300 M416 I417 H420 L421Q232-F302 HydrophobicContact CG-CB 4.26Å; Q232-F302 WeakPolarHBondContact CG-O 3.44Å; Q232-F302 PolarHBondContact NE2-O 2.79Å; M235-F302 HydrophobicContact CB-CD2 4.13Å; M235-F302 HydrophobicContact CB-CE2 4.06Å; A236-F302 HydrophobicContact CB-CB 3.76Å; A236-F302 HydrophobicContact CB-CD2 4.37Å; V298-F302 HydrophobicContact CG1-CE2 4.24Å; V298-F302 PolarHBondContact O-N 3.24Å; E299-F302 WeakPolarHBondContact O-CB 3.45Å; E299-F302 PolarHBondContact O-N 2.9Å; E299-F302 VanDerWaalsContact O-N 3.14Å; K300-F302 VanDerWaalsContact C-N 3.3Å; K300-F302 PolarHBondContact O-N 3.16Å; F302-M416 HydrophobicContact CD1-CE 4.26Å; F302-M416 HydrophobicContact CD1-SD 3.81Å; F302-M416 HydrophobicContact CE1-SD 4.01Å; F302-I417 HydrophobicContact CE1-CB 4.49Å; F302-I417 HydrophobicContact CE1-CG1 4.21Å; F302-H420 HydrophobicContact CD1-CB 4.32Å; F302-H420 HydrophobicContact CE1-CB 3.54Å; F302-H420 HydrophobicContact CZ-CB 3.89Å; F302-L421 HydrophobicContact CZ-CD2 4.29Å; F302-L421 HydrophobicContact CZ-CG 4.37Å
303L96.3Very high96.7Very high66 Ų6664.4 Ų64.435%0.34631%0.31SS..Hα-helixtrans-77-45.5179.1-66.1174.1000112A236 E299 K300 P301A236-L303 HydrophobicContact CB-CD2 3.67Å; A236-L303 HydrophobicContact CB-CG 3.89Å; E299-L303 HydrophobicContact CG-CD1 4.21Å; E299-L303 PolarHBondContact O-N 3.43Å; E299-L303 VanDerWaalsContact O-N 3.13Å; K300-L303 PolarHBondContact O-N 3.01Å; P301-L303 VanDerWaalsContact C-N 3.31Å; P301-L303 PolarHBondContact O-N 3.09Å
304T96.1Very high96.6Very high63 Ų6368.5 Ų68.539%0.38733%0.327SS..Hα-helixtrans-84.1-13.6-17261.70000113.8K300 R306 E307K300-T304 HydrophobicContact CG-CG2 4.08Å; K300-T304 PolarHBondContact O-N 2.73Å; K300-T304 PolarHBondContact O-OG1 3.49Å; K300-T304 VanDerWaalsContact O-OG1 3.09Å; T304-R306 PolarHBondContact O-N 3.03Å; T304-E307 VanDerWaalsContact O-CG 3.26Å; T304-E307 WeakPolarHBondContact O-CG 3.48Å
305F96.7Very high96.6Very high46 Ų4675.5 Ų75.520%0.20235%0.354CS..THydrogen-bonded Turntrans-60.9115.1177.2179.3-100.2000111.4K229 P301 R413 M416K229-F305 PolarHBondContact NZ-O 2.85Å; P301-F305 VanDerWaalsContact O-CB 3.27Å; P301-F305 WeakPolarHBondContact O-CB 3.46Å; P301-F305 PolarHBondContact O-N 2.69Å; F305-R413 HydrophobicContact CE1-CB 4.15Å; F305-R413 HydrophobicContact CE1-CG 4.18Å; F305-M416 HydrophobicContact CB-CE 3.79Å; F305-M416 HydrophobicContact CB-SD 4.39Å; F305-M416 HydrophobicContact CD1-CE 3.54Å; F305-M416 HydrophobicContact CD2-CB 4.41Å; F305-M416 HydrophobicContact CD2-CE 4Å; F305-M416 HydrophobicContact CD2-CG 3.78Å; F305-M416 HydrophobicContact CD2-SD 4.43Å; F305-M416 HydrophobicContact CE1-CE 4.01Å; F305-M416 HydrophobicContact CE2-CB 4.08Å; F305-M416 HydrophobicContact CE2-CE 4.44Å; F305-M416 HydrophobicContact CE2-CG 3.94Å; F305-M416 HydrophobicContact CG-CE 3.51Å; F305-M416 HydrophobicContact CG-CG 4.27Å; F305-M416 HydrophobicContact CG-SD 4.35Å; F305-M416 HydrophobicContact CZ-CB 4.32Å; F305-M416 HydrophobicContact CZ-CE 4.43Å
306R91.8Very high96.6Very high75 Ų7572 Ų7228%0.28334%0.337SS..THydrogen-bonded Turntrans56.365.3179.9-63-178.6165.5-94.5-6.5113.6T304 N308 F309 E412T304-R306 PolarHBondContact O-N 3.03Å; R306-N308 VanDerWaalsContact C-N 3.26Å; R306-N308 PolarHBondContact O-N 2.91Å; R306-F309 HydrophobicContact CB-CB 4.12Å; R306-F309 WeakPolarHBondContact O-CB 3.47Å; R306-F309 PolarHBondContact O-N 3.38Å; R306-F309 VanDerWaalsContact O-N 3.1Å; R306-E412 IonicContact CZ-OE2 2.73Å; R306-E412 IonicContact NE-OE2 2.69Å; R306-E412 IonicContact NH2-OE2 3.67Å; R306-E412 PolarHBondContact NH2-OE2 2.97Å
307E91.4Very high96.5Very high154 Ų15472.4 Ų72.472%0.7233%0.334SS*.THydrogen-bonded Turntrans-59.8-33.7178.7-57.8-170.3123.100113.4T304 F309T304-E307 VanDerWaalsContact O-CG 3.26Å; T304-E307 WeakPolarHBondContact O-CG 3.48Å; E307-F309 PolarHBondContact O-N 3.07Å
308N92.7Very high96.5Very high113 Ų11375 Ų7560%0.60435%0.346SS*.THydrogen-bonded Turntrans-80.12.7178.7-69.1-37000114.5R306 K310 K311 D312R306-N308 VanDerWaalsContact C-N 3.26Å; R306-N308 PolarHBondContact O-N 2.91Å; N308-K310 PolarHBondContact O-N 3.03Å; N308-K310 VanDerWaalsContact O-N 3.17Å; N308-K311 WeakPolarHBondContact O-CB 3.47Å; N308-K311 PolarHBondContact O-N 2.77Å; N308-D312 PolarHBondContact O-N 2.87Å; N308-D312 VanDerWaalsContact O-N 3.13Å
309F95.6Very high96.5Very high12 Ų1278.3 Ų78.35%0.05336%0.362CS..Hα-helixtrans-50.6-46.3-171.5176.1-95.6000114.6Q225 L226 K229 R306 E307 K311 D312 M313Q225-F309 HydrophobicContact CB-CE2 4.37Å; Q225-F309 HydrophobicContact CB-CZ 3.8Å; Q225-F309 WeakPolarHBondContact O-CZ 3.23Å; L226-F309 HydrophobicContact CD2-CE1 4.13Å; K229-F309 HydrophobicContact CB-CD1 3.84Å; K229-F309 HydrophobicContact CB-CE1 3.5Å; K229-F309 HydrophobicContact CB-CZ 4.01Å; K229-F309 HydrophobicContact CD-CD1 4.44Å; K229-F309 HydrophobicContact CG-CD1 3.8Å; K229-F309 HydrophobicContact CG-CE1 4.02Å; K229-F309 HydrophobicContact CG-CG 4.43Å; R306-F309 HydrophobicContact CB-CB 4.12Å; R306-F309 WeakPolarHBondContact O-CB 3.47Å; R306-F309 PolarHBondContact O-N 3.38Å; R306-F309 VanDerWaalsContact O-N 3.1Å; E307-F309 PolarHBondContact O-N 3.07Å; F309-K311 VanDerWaalsContact C-N 3.26Å; F309-K311 PolarHBondContact O-N 3.33Å; F309-D312 PolarHBondContact O-N 3.33Å; F309-M313 HydrophobicContact CD1-CG 4.12Å; F309-M313 HydrophobicContact CD2-CE 4.33Å; F309-M313 HydrophobicContact CD2-CG 4.39Å; F309-M313 HydrophobicContact CE1-CG 3.71Å; F309-M313 HydrophobicContact CE2-CE 3.97Å; F309-M313 HydrophobicContact CE2-CG 4.01Å; F309-M313 HydrophobicContact CE2-SD 4.09Å; F309-M313 HydrophobicContact CG-CG 4.44Å; F309-M313 HydrophobicContact CZ-CE 4.47Å; F309-M313 HydrophobicContact CZ-CG 3.66Å; F309-M313 HydrophobicContact CZ-SD 4Å; F309-M313 WeakPolarHBondContact O-CG 3.31Å; F309-M313 PolarHBondContact O-N 2.9Å
310K94.3Very high96.5Very high154 Ų15478.2 Ų78.267%0.6736%0.361SS*.Hα-helixtrans-62.5-34.7-179.5-72.2-176.4178.6177.60112.3N308 K314N308-K310 PolarHBondContact O-N 3.03Å; N308-K310 VanDerWaalsContact O-N 3.17Å; K310-K314 WeakPolarHBondContact O-CG 3.48Å; K310-K314 PolarHBondContact O-N 2.96Å
311K96.8Very high96.5Very high156 Ų15674.2 Ų74.268%0.67835%0.353SS*.Hα-helixtrans-70.8-42.2177.8-174.4-179.4176.7-177.70110.4N308 F309 K314 R315N308-K311 WeakPolarHBondContact O-CB 3.47Å; N308-K311 PolarHBondContact O-N 2.77Å; F309-K311 VanDerWaalsContact C-N 3.26Å; F309-K311 PolarHBondContact O-N 3.33Å; K311-K314 PolarHBondContact O-N 3.43Å; K311-R315 PolarHBondContact O-N 3.37Å
312D95.8Very high96.5Very high39 Ų3975.9 Ų75.921%0.20936%0.36CS..Hα-helixtrans-65.1-44.1178-64.5-31.5000112N308 F309 K314 R315 F316N308-D312 PolarHBondContact O-N 2.87Å; N308-D312 VanDerWaalsContact O-N 3.13Å; F309-D312 PolarHBondContact O-N 3.33Å; D312-K314 VanDerWaalsContact C-N 3.34Å; D312-K314 PolarHBondContact O-N 2.93Å; D312-R315 WeakPolarHBondContact O-CB 3.2Å; D312-R315 PolarHBondContact O-N 2.93Å; D312-R315 VanDerWaalsContact O-N 3.1Å; D312-R315 IonicContact OD1-CZ 3.58Å; D312-R315 IonicContact OD1-NH2 3.61Å; D312-F316 HydrophobicContact CB-CE2 4.28Å; D312-F316 WeakPolarHBondContact O-CD2 3.37Å; D312-F316 WeakPolarHBondContact O-CG 3.33Å; D312-F316 PolarHBondContact O-N 3.2Å
313M98.1Very high96.5Very high7 Ų776.2 Ų76.23%0.03436%0.362CS..Hα-helixtrans-59.5-43.4176.2-68.9-56.6102.300112L222 Q225 L226 F309 R315 F316 D317 L406 L409L222-M313 HydrophobicContact CD2-CB 4.49Å; L222-M313 HydrophobicContact CD2-SD 3.95Å; Q225-M313 HydrophobicContact CB-SD 3.65Å; Q225-M313 HydrophobicContact CG-SD 4.01Å; L226-M313 HydrophobicContact CD2-CG 4.44Å; F309-M313 HydrophobicContact CD1-CG 4.12Å; F309-M313 HydrophobicContact CD2-CE 4.33Å; F309-M313 HydrophobicContact CD2-CG 4.39Å; F309-M313 HydrophobicContact CE1-CG 3.71Å; F309-M313 HydrophobicContact CE2-CE 3.97Å; F309-M313 HydrophobicContact CE2-CG 4.01Å; F309-M313 HydrophobicContact CE2-SD 4.09Å; F309-M313 HydrophobicContact CG-CG 4.44Å; F309-M313 HydrophobicContact CZ-CE 4.47Å; F309-M313 HydrophobicContact CZ-CG 3.66Å; F309-M313 HydrophobicContact CZ-SD 4Å; F309-M313 WeakPolarHBondContact O-CG 3.31Å; F309-M313 PolarHBondContact O-N 2.9Å; M313-R315 VanDerWaalsContact C-N 3.32Å; M313-R315 PolarHBondContact O-N 3.25Å; M313-F316 HydrophobicContact CE-CD2 3.6Å; M313-F316 HydrophobicContact CE-CE2 3.71Å; M313-F316 PolarHBondContact O-N 3.33Å; M313-D317 WeakPolarHBondContact O-CB 3.09Å; M313-D317 PolarHBondContact O-N 3.37Å; M313-L406 HydrophobicContact CE-CD2 3.75Å; M313-L406 HydrophobicContact SD-CD2 4.06Å; M313-L409 HydrophobicContact CE-CD1 3.96Å
314K97.8Very high96.6Very high159 Ų15974.6 Ų74.669%0.69135%0.351SS*.Hα-helixtrans-63.4-37174.6-75.7-177178-172.80112.6K310 K311 D312 H318K310-K314 WeakPolarHBondContact O-CG 3.48Å; K310-K314 PolarHBondContact O-N 2.96Å; K311-K314 PolarHBondContact O-N 3.43Å; D312-K314 VanDerWaalsContact C-N 3.34Å; D312-K314 PolarHBondContact O-N 2.93Å; K314-H318 VanDerWaalsContact O-CB 3.27Å; K314-H318 WeakPolarHBondContact O-CB 3.32Å; K314-H318 PolarHBondContact O-N 3.47Å
315R98.1Very high96.7Very high146 Ų14679.2 Ų79.255%0.55137%0.366SS*.Hα-helixtrans-64-46.8176.6-177-173.766.6-169-3.5110.7K311 D312 M313 H319K311-R315 PolarHBondContact O-N 3.37Å; D312-R315 WeakPolarHBondContact O-CB 3.2Å; D312-R315 PolarHBondContact O-N 2.93Å; D312-R315 VanDerWaalsContact O-N 3.1Å; D312-R315 IonicContact OD1-CZ 3.58Å; D312-R315 IonicContact OD1-NH2 3.61Å; M313-R315 VanDerWaalsContact C-N 3.32Å; M313-R315 PolarHBondContact O-N 3.25Å; R315-H319 WeakPolarHBondContact O-CB 3.45Å; R315-H319 PolarHBondContact O-N 3.12Å
316F98.1Very high96.7Very high28 Ų2881.9 Ų81.912%0.12338%0.379CS..Hα-helixtrans-63.9-45.7177.8-63.4-44.4000112F218 D312 M313 H319 I320 T402 E405 L406 L409F218-F316 HydrophobicContact CE1-CB 4.41Å; F218-F316 HydrophobicContact CZ-CB 4.08Å; D312-F316 HydrophobicContact CB-CE2 4.28Å; D312-F316 WeakPolarHBondContact O-CD2 3.37Å; D312-F316 WeakPolarHBondContact O-CG 3.33Å; D312-F316 PolarHBondContact O-N 3.2Å; M313-F316 HydrophobicContact CE-CD2 3.6Å; M313-F316 HydrophobicContact CE-CE2 3.71Å; M313-F316 PolarHBondContact O-N 3.33Å; F316-H319 PolarHBondContact O-N 3Å; F316-I320 PolarHBondContact O-N 3.31Å; F316-I320 VanDerWaalsContact O-N 3.07Å; F316-T402 HydrophobicContact CB-CG2 4.02Å; F316-T402 HydrophobicContact CD1-CG2 3.83Å; F316-T402 HydrophobicContact CE1-CG2 4.49Å; F316-T402 HydrophobicContact CG-CG2 4Å; F316-E405 HydrophobicContact CZ-CG 4.28Å; F316-L406 HydrophobicContact CD2-CD2 3.96Å; F316-L406 HydrophobicContact CE2-CD2 4.21Å; F316-L409 HydrophobicContact CE2-CD1 4.4Å
317D97.9Very high97Very high73 Ų7378.3 Ų78.339%0.3937%0.365SS..Hα-helixtrans-55-54175.1-176.142.7000111.8L222 M313 H319 I320 A321L222-D317 HydrophobicContact CD1-CB 3.52Å; L222-D317 WeakPolarHBondContact CD1-OD1 3.46Å; M313-D317 WeakPolarHBondContact O-CB 3.09Å; M313-D317 PolarHBondContact O-N 3.37Å; D317-H319 VanDerWaalsContact C-N 3.32Å; D317-H319 PolarHBondContact O-N 3.27Å; D317-I320 PolarHBondContact O-N 3.02Å; D317-A321 WeakPolarHBondContact O-CB 3.33Å; D317-A321 PolarHBondContact O-N 3.06Å
318H98.3Very high97.3Very high119 Ų11974.5 Ų74.555%0.55135%0.352SS*.Hα-helixtrans-60.4-41.1-179.3-174.366.5000112.7K314 N322K314-H318 VanDerWaalsContact O-CB 3.27Å; K314-H318 WeakPolarHBondContact O-CB 3.32Å; K314-H318 PolarHBondContact O-N 3.47Å; H318-N322 PolarHBondContact CD2-ND2 3.45Å; H318-N322 VanDerWaalsContact CD2-ND2 3.25Å; H318-N322 PolarHBondContact CE1-ND2 2.92Å; H318-N322 VanDerWaalsContact CE1-ND2 3.31Å; H318-N322 PolarHBondContact NE2-ND2 2.88Å; H318-N322 WeakPolarHBondContact O-CB 3.33Å; H318-N322 PolarHBondContact O-N 3.41Å; H318-N322 PolarHBondContact O-ND2 3.33Å
319H98.4Very high97.6Very high69 Ų6971.2 Ų71.232%0.31935%0.345SS..Hα-helixtrans-61.2-53.6178.7179.558.8000111.9R315 F316 D317 N322 L323 E398R315-H319 WeakPolarHBondContact O-CB 3.45Å; R315-H319 PolarHBondContact O-N 3.12Å; F316-H319 PolarHBondContact O-N 3Å; D317-H319 VanDerWaalsContact C-N 3.32Å; D317-H319 PolarHBondContact O-N 3.27Å; H319-N322 PolarHBondContact O-N 3.09Å; H319-L323 PolarHBondContact O-N 3.16Å; H319-E398 IonicContact CD2-OE2 2.74Å; H319-E398 IonicContact CE1-OE2 3.78Å; H319-E398 IonicContact NE2-OE2 2.66Å; H319-E398 PolarHBondContact NE2-OE2 2.72Å
320I98.4Very high97.7Very high5 Ų575.4 Ų75.43%0.02636%0.361CS..Hα-helixtrans-66.9-40.6-179.6-61.2-58000111.2F218 F316 D317 N322 L323 R324 E398 M399 T402F218-I320 HydrophobicContact CB-CG2 4.22Å; F218-I320 HydrophobicContact CD1-CB 3.83Å; F218-I320 HydrophobicContact CD1-CG1 3.98Å; F218-I320 HydrophobicContact CD1-CG2 3.87Å; F218-I320 HydrophobicContact CD2-CG1 4.36Å; F218-I320 HydrophobicContact CE1-CB 3.88Å; F218-I320 HydrophobicContact CE1-CG1 3.65Å; F218-I320 HydrophobicContact CE1-CG2 4.4Å; F218-I320 HydrophobicContact CE2-CG1 4.08Å; F218-I320 HydrophobicContact CG-CB 4.34Å; F218-I320 HydrophobicContact CG-CG1 4.32Å; F218-I320 HydrophobicContact CG-CG2 3.96Å; F218-I320 HydrophobicContact CZ-CB 4.45Å; F218-I320 HydrophobicContact CZ-CG1 3.72Å; F316-I320 PolarHBondContact O-N 3.31Å; F316-I320 VanDerWaalsContact O-N 3.07Å; D317-I320 PolarHBondContact O-N 3.02Å; I320-N322 VanDerWaalsContact C-N 3.33Å; I320-N322 PolarHBondContact O-N 3.28Å; I320-L323 PolarHBondContact O-N 2.63Å; I320-R324 HydrophobicContact CG2-CG 4.48Å; I320-R324 WeakPolarHBondContact O-CG 3.41Å; I320-R324 PolarHBondContact O-N 2.71Å; I320-E398 HydrophobicContact CD1-CB 4.23Å; I320-M399 HydrophobicContact CG2-SD 4.21Å; I320-T402 HydrophobicContact CG1-CG2 4.46Å
321A97.7Very high97.9Very high47 Ų4771.2 Ų71.239%0.38834%0.341SS..Hα-helixtrans-61.4-39.2176.700000112.4D317 R324 K325D317-A321 WeakPolarHBondContact O-CB 3.33Å; D317-A321 PolarHBondContact O-N 3.06Å; A321-R324 PolarHBondContact O-N 3.06Å; A321-K325 WeakPolarHBondContact O-CB 3.33Å; A321-K325 PolarHBondContact O-N 2.77Å
322N98.4Very high97.9Very high61 Ų6166.5 Ų66.533%0.32633%0.331SS..Hα-helixtrans-64.3-40.5175.6-77.3-23.8000112.3H318 H319 I320 K325 Q326H318-N322 PolarHBondContact CD2-ND2 3.45Å; H318-N322 VanDerWaalsContact CD2-ND2 3.25Å; H318-N322 PolarHBondContact CE1-ND2 2.92Å; H318-N322 VanDerWaalsContact CE1-ND2 3.31Å; H318-N322 PolarHBondContact NE2-ND2 2.88Å; H318-N322 WeakPolarHBondContact O-CB 3.33Å; H318-N322 PolarHBondContact O-N 3.41Å; H318-N322 PolarHBondContact O-ND2 3.33Å; H319-N322 PolarHBondContact O-N 3.09Å; I320-N322 VanDerWaalsContact C-N 3.33Å; I320-N322 PolarHBondContact O-N 3.28Å; N322-K325 PolarHBondContact O-N 3.02Å; N322-Q326 WeakPolarHBondContact O-CG 3.27Å; N322-Q326 PolarHBondContact O-N 2.8Å
323L98.4Very high98Very high9 Ų966.4 Ų66.45%0.04734%0.336CS..Hα-helixtrans-66.1-41.9175.9-66.7173000111.4H319 I320 K325 Q326 L327 K394 W395 E398H319-L323 PolarHBondContact O-N 3.16Å; I320-L323 PolarHBondContact O-N 2.63Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 2.59Å; L323-Q326 WeakPolarHBondContact O-CB 3.39Å; L323-Q326 PolarHBondContact O-N 3.43Å; L323-L327 PolarHBondContact O-N 2.75Å; L323-K394 HydrophobicContact CD2-CD 4.19Å; L323-K394 HydrophobicContact CD2-CG 4.29Å; L323-W395 HydrophobicContact CB-CB 4.2Å; L323-W395 HydrophobicContact CB-CG 4.48Å; L323-E398 HydrophobicContact CD1-CB 3.56Å; L323-E398 HydrophobicContact CD1-CG 3.71Å
324R97.5Very high98.1Very high31 Ų3166.4 Ų66.412%0.11734%0.336CS..Hα-helixtrans-57.7-45.7171.8-69.8-68.4-73.2177.5-8.8111.7N175 D205 I320 A321 Q326 L327 V328 W395N175-R324 PolarHBondContact O-NH2 3.23Å; D205-R324 IonicContact OD1-NH2 2.75Å; D205-R324 PolarHBondContact OD1-NH2 2.87Å; D205-R324 IonicContact OD2-NH2 3.86Å; D205-R324 PolarHBondContact OD2-NH2 3.04Å; I320-R324 HydrophobicContact CG2-CG 4.48Å; I320-R324 WeakPolarHBondContact O-CG 3.41Å; I320-R324 PolarHBondContact O-N 2.71Å; A321-R324 PolarHBondContact O-N 3.06Å; R324-Q326 VanDerWaalsContact C-N 3.32Å; R324-Q326 PolarHBondContact O-N 2.94Å; R324-L327 WeakPolarHBondContact O-CB 3.22Å; R324-L327 PolarHBondContact O-N 2.58Å; R324-L327 VanDerWaalsContact O-N 3.14Å; R324-V328 WeakPolarHBondContact O-CG2 3.36Å; R324-V328 PolarHBondContact O-N 2.82Å; R324-W395 VanDerWaalsContact CD-NE1 3.25Å
325K97.8Very high98Very high160 Ų16062 Ų6270%0.69632%0.32SS*.Hα-helixtrans-61-40.2178.1-172.6179.9-179.4179.30112.1A321 N322 L323 V328 G329A321-K325 WeakPolarHBondContact O-CB 3.33Å; A321-K325 PolarHBondContact O-N 2.77Å; N322-K325 PolarHBondContact O-N 3.02Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 2.59Å; K325-V328 PolarHBondContact O-N 3.35Å; K325-G329 PolarHBondContact O-N 3.13Å; K325-G329 VanDerWaalsContact O-N 3.09Å
326Q98.1Very high98Very high102 Ų10262.9 Ų62.948%0.47733%0.328SS..Hα-helixtrans-62.9-43.9173.8-70.9173.443.200111.3N322 L323 R324 V328 G329 R330N322-Q326 WeakPolarHBondContact O-CG 3.27Å; N322-Q326 PolarHBondContact O-N 2.8Å; L323-Q326 WeakPolarHBondContact O-CB 3.39Å; L323-Q326 PolarHBondContact O-N 3.43Å; R324-Q326 VanDerWaalsContact C-N 3.32Å; R324-Q326 PolarHBondContact O-N 2.94Å; Q326-V328 PolarHBondContact O-N 3.34Å; Q326-G329 PolarHBondContact O-N 3.38Å; Q326-R330 WeakPolarHBondContact O-CG 3.38Å; Q326-R330 PolarHBondContact O-N 2.91Å
327L97.6Very high98Very high1 Ų162.2 Ų62.21%0.00533%0.328CS..Hα-helixtrans-60.3-44.9177.6-174.862000112.2V177 L323 R324 G329 R330 Y331 Y388 Q392 W395V177-L327 HydrophobicContact CG2-CD2 4.3Å; L323-L327 PolarHBondContact O-N 2.75Å; R324-L327 WeakPolarHBondContact O-CB 3.22Å; R324-L327 PolarHBondContact O-N 2.58Å; R324-L327 VanDerWaalsContact O-N 3.14Å; L327-G329 VanDerWaalsContact C-N 3.31Å; L327-G329 PolarHBondContact O-N 3.14Å; L327-R330 PolarHBondContact O-N 2.73Å; L327-Y331 WeakPolarHBondContact O-CB 3.4Å; L327-Y331 PolarHBondContact O-N 3.5Å; L327-Y388 HydrophobicContact CD1-CD2 3.7Å; L327-Y388 HydrophobicContact CD1-CE2 3.39Å; L327-Y388 HydrophobicContact CG-CE2 4.14Å; L327-Q392 HydrophobicContact CD1-CB 3.77Å; L327-Q392 HydrophobicContact CD1-CG 4.43Å; L327-W395 HydrophobicContact CD2-CD2 4.48Å; L327-W395 HydrophobicContact CD2-CE3 4.26Å
328V97.7Very high98Very high73 Ų7365 Ų6544%0.44233%0.333SS..Hα-helixtrans-58-44.6174.2173.60000110.9C176 R324 K325 Q326 R330 Y331 A332C176-V328 HydrophobicContact CB-CG2 4.12Å; R324-V328 WeakPolarHBondContact O-CG2 3.36Å; R324-V328 PolarHBondContact O-N 2.82Å; K325-V328 PolarHBondContact O-N 3.35Å; Q326-V328 PolarHBondContact O-N 3.34Å; V328-R330 PolarHBondContact O-N 3.47Å; V328-Y331 PolarHBondContact O-N 3.15Å; V328-A332 PolarHBondContact O-N 3.01Å
329G98.1Very high98Very high44 Ų4466.1 Ų66.145%0.45434%0.336SS..Hα-helixtrans-62.1-40176.400000113.3K325 Q326 L327 A333K325-G329 PolarHBondContact O-N 3.13Å; K325-G329 VanDerWaalsContact O-N 3.09Å; Q326-G329 PolarHBondContact O-N 3.38Å; L327-G329 VanDerWaalsContact C-N 3.31Å; L327-G329 PolarHBondContact O-N 3.14Å; G329-A333 PolarHBondContact O-N 3.48Å
330R98.2Very high97.9Very high100 Ų10064.5 Ų64.538%0.37734%0.335SS..Hα-helixtrans-67.6-42175.5-66-58.6-175.6-170-1.3112.2Q326 L327 V328 A332 A333 V334 Y388 S391Q326-R330 WeakPolarHBondContact O-CG 3.38Å; Q326-R330 PolarHBondContact O-N 2.91Å; L327-R330 PolarHBondContact O-N 2.73Å; V328-R330 PolarHBondContact O-N 3.47Å; R330-A332 PolarHBondContact O-N 3.31Å; R330-A333 WeakPolarHBondContact O-CB 3.44Å; R330-A333 PolarHBondContact O-N 3.06Å; R330-A333 VanDerWaalsContact O-N 3.14Å; R330-V334 PolarHBondContact O-N 3.31Å; R330-Y388 HydrophobicContact CB-CD2 4.14Å; R330-S391 WeakPolarHBondContact CG-OG 3.33Å
331Y98.1Very high97.9Very high66 Ų6665.5 Ų65.526%0.25934%0.34SS..Hα-helixtrans-60.2-45.5176.9-177.7-98.6000111.5T173 C176 L327 V328 A333 V334 D335 Y388T173-Y331 HydrophobicContact CG2-CD2 3.96Å; T173-Y331 HydrophobicContact CG2-CE2 3.49Å; T173-Y331 VanDerWaalsContact CG2-CE2 3.49Å; C176-Y331 HydrophobicContact CB-CD1 4.35Å; C176-Y331 HydrophobicContact CB-CG 4.06Å; L327-Y331 WeakPolarHBondContact O-CB 3.4Å; L327-Y331 PolarHBondContact O-N 3.5Å; V328-Y331 PolarHBondContact O-N 3.15Å; Y331-A333 VanDerWaalsContact C-N 3.26Å; Y331-A333 PolarHBondContact O-N 3.41Å; Y331-V334 WeakPolarHBondContact O-CB 3.45Å; Y331-V334 PolarHBondContact O-N 2.83Å; Y331-V334 VanDerWaalsContact O-N 3.1Å; Y331-D335 WeakPolarHBondContact CE1-OD2 3.24Å; Y331-D335 PolarHBondContact O-N 3.24Å; Y331-D335 PolarHBondContact OH-OD2 3.4Å; Y331-Y388 HydrophobicContact CD2-CE2 4.03Å; Y331-Y388 HydrophobicContact CG-CE2 4.49Å
332A98.3Very high97.9Very high57 Ų5765.6 Ų65.647%0.47134%0.341SS..Hα-helixtrans-59.5-35.1174.600000113.1V328 R330 K336V328-A332 PolarHBondContact O-N 3.01Å; R330-A332 PolarHBondContact O-N 3.31Å; A332-K336 WeakPolarHBondContact O-CB 3.21Å; A332-K336 PolarHBondContact O-N 3.01Å
333A98.3Very high97.8Very high37 Ų3766.7 Ų66.731%0.30635%0.347SS..Hα-helixtrans-68.8-39.8174.600000112.4G329 R330 Y331 K336 A337G329-A333 PolarHBondContact O-N 3.48Å; R330-A333 WeakPolarHBondContact O-CB 3.44Å; R330-A333 PolarHBondContact O-N 3.06Å; R330-A333 VanDerWaalsContact O-N 3.14Å; Y331-A333 VanDerWaalsContact C-N 3.26Å; Y331-A333 PolarHBondContact O-N 3.41Å; A333-K336 PolarHBondContact O-N 3.24Å; A333-A337 WeakPolarHBondContact O-CB 3.27Å; A333-A337 PolarHBondContact O-N 3.4Å
334V98.3Very high97.8Very high7 Ų770.9 Ų70.94%0.04236%0.362CS..Hα-helixtrans-60.7-47.6173.3171.60000110.8R330 Y331 K336 A337 R338 L381 C384 V385 Y388R330-V334 PolarHBondContact O-N 3.31Å; Y331-V334 WeakPolarHBondContact O-CB 3.45Å; Y331-V334 PolarHBondContact O-N 2.83Å; Y331-V334 VanDerWaalsContact O-N 3.1Å; V334-K336 VanDerWaalsContact C-N 3.33Å; V334-K336 PolarHBondContact O-N 3.4Å; V334-A337 PolarHBondContact O-N 2.82Å; V334-R338 WeakPolarHBondContact O-CB 3.37Å; V334-R338 PolarHBondContact O-N 2.85Å; V334-L381 HydrophobicContact CG1-CD1 4.14Å; V334-C384 HydrophobicContact CG2-CB 3.95Å; V334-C384 WeakPolarHBondContact CG2-O 3.28Å; V334-V385 HydrophobicContact CG1-CG2 3.96Å; V334-V385 HydrophobicContact CG2-CG2 4.17Å; V334-Y388 HydrophobicContact CG2-CG 4.38Å
335D96.9Very high97.7Very high67 Ų6774.2 Ų74.236%0.35838%0.379SS..Hα-helixtrans-61.8-41.9178.7-84.3-8.5000112Y331 R338 K339Y331-D335 WeakPolarHBondContact CE1-OD2 3.24Å; Y331-D335 PolarHBondContact O-N 3.24Å; Y331-D335 PolarHBondContact OH-OD2 3.4Å; D335-R338 PolarHBondContact O-N 2.8Å; D335-K339 PolarHBondContact O-N 3.45Å
336K98.1Very high97.6Very high165 Ų16573.1 Ų73.172%0.71737%0.374SS*.Hα-helixtrans-62.1-45174.6-174.4179.2179.5-179.60112A332 A333 V334 K339 A340A332-K336 WeakPolarHBondContact O-CB 3.21Å; A332-K336 PolarHBondContact O-N 3.01Å; A333-K336 PolarHBondContact O-N 3.24Å; V334-K336 VanDerWaalsContact C-N 3.33Å; V334-K336 PolarHBondContact O-N 3.4Å; K336-K339 PolarHBondContact O-N 2.93Å; K336-A340 WeakPolarHBondContact O-CB 3.34Å; K336-A340 PolarHBondContact O-N 3.1Å
337A98Very high97.5Very high14 Ų1471.5 Ų71.512%0.11637%0.366CS..Hα-helixtrans-66.5-38.4178.100000111.9A333 V334 A340 L341 L381 C384A333-A337 WeakPolarHBondContact O-CB 3.27Å; A333-A337 PolarHBondContact O-N 3.4Å; V334-A337 PolarHBondContact O-N 2.82Å; A337-A340 PolarHBondContact O-N 2.95Å; A337-L341 PolarHBondContact O-N 3.25Å; A337-L381 HydrophobicContact CB-CB 4.2Å; A337-L381 HydrophobicContact CB-CD1 4.02Å; A337-C384 HydrophobicContact CB-CB 4.26Å
338R97.6Very high97.3Very high132 Ų13273 Ų7350%0.49837%0.374SS..Hα-helixtrans-62.2-45.8175.7-171.8-174.8-63.9-132.92.5111.2V334 D335 L341 A342 L381V334-R338 WeakPolarHBondContact O-CB 3.37Å; V334-R338 PolarHBondContact O-N 2.85Å; D335-R338 PolarHBondContact O-N 2.8Å; R338-L341 PolarHBondContact O-N 3.36Å; R338-A342 PolarHBondContact O-N 3Å; R338-L381 HydrophobicContact CB-CD1 4.14Å
339K97.6Very high97.1Very high142 Ų14276.2 Ų76.262%0.61738%0.384SS*.Hα-helixtrans-61.2-45.8174.2-171.5-174.9179.3910111.3D335 K336 L341 A342 D343D335-K339 PolarHBondContact O-N 3.45Å; K336-K339 PolarHBondContact O-N 2.93Å; K339-L341 VanDerWaalsContact C-N 3.33Å; K339-L341 PolarHBondContact O-N 2.95Å; K339-A342 PolarHBondContact O-N 3.04Å; K339-D343 VanDerWaalsContact O-CG 3.3Å; K339-D343 PolarHBondContact O-N 3.12Å
340A97.7Very high96.8Very high35 Ų3579 Ų7929%0.28939%0.388SS..Hα-helixtrans-61.3-39.9178.100000112.6K336 A337 D343 R344K336-A340 WeakPolarHBondContact O-CB 3.34Å; K336-A340 PolarHBondContact O-N 3.1Å; A337-A340 PolarHBondContact O-N 2.95Å; A340-D343 PolarHBondContact O-N 3.23Å; A340-R344 VanDerWaalsContact O-CG 3.22Å; A340-R344 WeakPolarHBondContact O-CG 3.43Å; A340-R344 PolarHBondContact O-N 3.24Å
341L97.8Very high96.4Very high26 Ų2676.8 Ų76.814%0.13638%0.382CS..Hα-helixtrans-63.1-47.1173.8176.460.2000111.4A337 R338 K339 D343 R344 Q345 S374 A377 L381A337-L341 PolarHBondContact O-N 3.25Å; R338-L341 PolarHBondContact O-N 3.36Å; K339-L341 VanDerWaalsContact C-N 3.33Å; K339-L341 PolarHBondContact O-N 2.95Å; L341-D343 VanDerWaalsContact C-N 3.32Å; L341-D343 PolarHBondContact O-N 2.94Å; L341-R344 PolarHBondContact O-N 3.39Å; L341-Q345 HydrophobicContact CD1-CG 4Å; L341-Q345 HydrophobicContact CG-CG 4.34Å; L341-Q345 WeakPolarHBondContact O-CB 3.27Å; L341-Q345 VanDerWaalsContact O-CG 3.32Å; L341-Q345 WeakPolarHBondContact O-CG 3.42Å; L341-Q345 PolarHBondContact O-N 3.34Å; L341-S374 WeakPolarHBondContact CD1-O 3.4Å; L341-A377 HydrophobicContact CB-CB 4.28Å; L341-A377 HydrophobicContact CD1-CB 4.08Å; L341-L381 HydrophobicContact CD2-CD2 3.63Å
342A97.4Very high95.9Very high49 Ų4976.3 Ų76.341%0.40539%0.386SS..Hα-helixtrans-58.9-43.5177.700000112R338 K339 R344 Q345 K346R338-A342 PolarHBondContact O-N 3Å; K339-A342 PolarHBondContact O-N 3.04Å; A342-R344 PolarHBondContact O-N 3.48Å; A342-Q345 PolarHBondContact O-N 2.95Å; A342-K346 WeakPolarHBondContact O-CB 3.37Å; A342-K346 PolarHBondContact O-N 2.91Å
343D97.2Very high95.4Very high84 Ų8479.6 Ų79.645%0.44939%0.391SS..Hα-helixtrans-62.5-41.8176.6-68.4-22.6000111.5K339 A340 L341 K346 E347K339-D343 VanDerWaalsContact O-CG 3.3Å; K339-D343 PolarHBondContact O-N 3.12Å; A340-D343 PolarHBondContact O-N 3.23Å; L341-D343 VanDerWaalsContact C-N 3.32Å; L341-D343 PolarHBondContact O-N 2.94Å; D343-K346 PolarHBondContact O-N 3.28Å; D343-E347 PolarHBondContact O-N 3.46Å
344R96.7Very high94.6Very high97 Ų9782.6 Ų82.637%0.36640%0.399SS..Hα-helixtrans-71.6-33.8178.3-67.4-67.6139.868.87.1113.2A340 L341 A342 E347 L348 A377A340-R344 VanDerWaalsContact O-CG 3.22Å; A340-R344 WeakPolarHBondContact O-CG 3.43Å; A340-R344 PolarHBondContact O-N 3.24Å; L341-R344 PolarHBondContact O-N 3.39Å; A342-R344 PolarHBondContact O-N 3.48Å; R344-E347 WeakPolarHBondContact CD-OE2 3.29Å; R344-E347 IonicContact NE-OE2 2.75Å; R344-E347 PolarHBondContact NE-OE2 3.15Å; R344-E347 PolarHBondContact O-N 3.01Å; R344-L348 WeakPolarHBondContact O-CB 3.4Å; R344-L348 PolarHBondContact O-N 3.37Å; R344-A377 HydrophobicContact CB-CB 4.46Å; R344-A377 HydrophobicContact CG-CB 4.26Å
345Q96.1Very high93.6Very high101 Ų10184.4 Ų84.447%0.47241%0.408SS..Hα-helixtrans-65.4-42.9173.2-75.8174.4-23.800110.9L341 A342 L348 E349L341-Q345 HydrophobicContact CD1-CG 4Å; L341-Q345 HydrophobicContact CG-CG 4.34Å; L341-Q345 WeakPolarHBondContact O-CB 3.27Å; L341-Q345 VanDerWaalsContact O-CG 3.32Å; L341-Q345 WeakPolarHBondContact O-CG 3.42Å; L341-Q345 PolarHBondContact O-N 3.34Å; A342-Q345 PolarHBondContact O-N 2.95Å; Q345-L348 PolarHBondContact O-N 3.28Å; Q345-E349 WeakPolarHBondContact O-CB 3.37Å; Q345-E349 PolarHBondContact O-N 3.35Å
346K96.2Very high92.3Very high136 Ų13689 Ų8959%0.59143%0.427SS*.Hα-helixtrans-64.2-41174.8-171.6176.9-179.5179.50112.4A342 D343 E349 L350A342-K346 WeakPolarHBondContact O-CB 3.37Å; A342-K346 PolarHBondContact O-N 2.91Å; D343-K346 PolarHBondContact O-N 3.28Å; K346-E349 PolarHBondContact O-N 3.34Å; K346-L350 HydrophobicContact CG-CD1 4.31Å; K346-L350 WeakPolarHBondContact O-CB 3.41Å; K346-L350 PolarHBondContact O-N 2.81Å
347E94.7Very high90.9Very high69 Ų6985.2 Ų85.232%0.32242%0.422SS..Hα-helixtrans-60.9-43.7174.2-173.7-175.4168.800111.4D343 R344 K351D343-E347 PolarHBondContact O-N 3.46Å; R344-E347 WeakPolarHBondContact CD-OE2 3.29Å; R344-E347 IonicContact NE-OE2 2.75Å; R344-E347 PolarHBondContact NE-OE2 3.15Å; R344-E347 PolarHBondContact O-N 3.01Å; E347-K351 VanDerWaalsContact O-CG 3.31Å; E347-K351 WeakPolarHBondContact O-CG 3.47Å; E347-K351 PolarHBondContact O-N 2.78Å
348L93.7Very high89.4Confident32 Ų3292.3 Ų92.317%0.16845%0.45CS..Hα-helixtrans-62.7-46.2176.4176.960.3000111.7R344 Q345 L350 K351 T352 I367 A370 R371R344-L348 WeakPolarHBondContact O-CB 3.4Å; R344-L348 PolarHBondContact O-N 3.37Å; Q345-L348 PolarHBondContact O-N 3.28Å; L348-L350 PolarHBondContact O-N 3.48Å; L348-K351 PolarHBondContact O-N 2.86Å; L348-T352 PolarHBondContact O-N 2.96Å; L348-T352 PolarHBondContact O-OG1 2.81Å; L348-T352 VanDerWaalsContact O-OG1 3.07Å; L348-I367 HydrophobicContact CD1-CG2 4.21Å; L348-A370 HydrophobicContact CB-CB 4.38Å; L348-A370 HydrophobicContact CD1-CB 3.92Å; L348-R371 HydrophobicContact CD1-CB 4.03Å; L348-R371 HydrophobicContact CD2-CB 4.39Å; L348-R371 HydrophobicContact CD2-CG 4.28Å
349E94.4Very high88.2Confident140 Ų14092.2 Ų92.265%0.65446%0.459SS*.Hα-helixtrans-60.1-46179-171.9172.4-160.100111.9Q345 K346 K351 T352 Q353Q345-E349 WeakPolarHBondContact O-CB 3.37Å; Q345-E349 PolarHBondContact O-N 3.35Å; K346-E349 PolarHBondContact O-N 3.34Å; E349-K351 VanDerWaalsContact C-N 3.34Å; E349-K351 PolarHBondContact O-N 2.88Å; E349-T352 PolarHBondContact O-N 2.91Å; E349-Q353 PolarHBondContact O-N 2.65Å
350L91.9Very high87.2Confident103 Ų10388.7 Ų88.754%0.53945%0.449SS..Hα-helixtrans-58-44.3173.9-86.9156.8000112.3K346 L348 Q353 Q354K346-L350 HydrophobicContact CG-CD1 4.31Å; K346-L350 WeakPolarHBondContact O-CB 3.41Å; K346-L350 PolarHBondContact O-N 2.81Å; L348-L350 PolarHBondContact O-N 3.48Å; L350-Q353 PolarHBondContact O-N 3.12Å; L350-Q354 PolarHBondContact O-N 3.49Å
351K89.2Confident86.3Confident54 Ų5491.6 Ų91.624%0.23547%0.468CS..Hα-helixtrans-67.3-38.6178.9-72.4-70179.4-176.80112E347 L348 E349 Q354 L355 E366 I367E347-K351 VanDerWaalsContact O-CG 3.31Å; E347-K351 WeakPolarHBondContact O-CG 3.47Å; E347-K351 PolarHBondContact O-N 2.78Å; L348-K351 PolarHBondContact O-N 2.86Å; E349-K351 VanDerWaalsContact C-N 3.34Å; E349-K351 PolarHBondContact O-N 2.88Å; K351-Q354 WeakPolarHBondContact O-CB 3.48Å; K351-Q354 PolarHBondContact O-N 3.26Å; K351-L355 PolarHBondContact O-N 3.13Å; K351-E366 IonicContact NZ-OE2 2.71Å; K351-E366 PolarHBondContact NZ-OE2 3.09Å; K351-I367 HydrophobicContact CB-CG1 3.92Å; K351-I367 WeakPolarHBondContact O-CD1 3.32Å
352T88.8Confident85.6Confident56 Ų5697.3 Ų97.334%0.34449%0.491SS..Hα-helixtrans-63.6-43.3174.3-61.50000111.5L348 E349 Q354 L355 E356L348-T352 PolarHBondContact O-N 2.96Å; L348-T352 PolarHBondContact O-OG1 2.81Å; L348-T352 VanDerWaalsContact O-OG1 3.07Å; E349-T352 PolarHBondContact O-N 2.91Å; T352-Q354 VanDerWaalsContact C-N 3.28Å; T352-Q354 PolarHBondContact O-N 2.92Å; T352-L355 WeakPolarHBondContact O-CB 3.47Å; T352-L355 PolarHBondContact O-N 3.33Å; T352-E356 PolarHBondContact O-N 3.29Å
353Q87.6Confident84.8Confident125 Ų12595.8 Ų95.858%0.58448%0.477SS*.Hα-helixtrans-65.1-32.1176.1-164.6168.638.300112.4E349 L350 L355 E356E349-Q353 PolarHBondContact O-N 2.65Å; L350-Q353 PolarHBondContact O-N 3.12Å; Q353-L355 VanDerWaalsContact C-N 3.31Å; Q353-L355 PolarHBondContact O-N 2.92Å; Q353-E356 PolarHBondContact O-N 3.45Å
354Q81.5Confident84.2Confident100 Ų10096.8 Ų96.847%0.46748%0.479SS..Hα-helixtrans-66.3-32.3175.9-156.716624.800112.4L350 K351 T352 S357 K358L350-Q354 PolarHBondContact O-N 3.49Å; K351-Q354 WeakPolarHBondContact O-CB 3.48Å; K351-Q354 PolarHBondContact O-N 3.26Å; T352-Q354 VanDerWaalsContact C-N 3.28Å; T352-Q354 PolarHBondContact O-N 2.92Å; Q354-S357 PolarHBondContact O-N 3.01Å; Q354-S357 PolarHBondContact O-OG 3.06Å; Q354-K358 PolarHBondContact O-N 3.15Å
355L75.6Confident83.8Confident46 Ų4697.3 Ų97.324%0.24149%0.486CS..Hα-helixtrans-65.4-37.1174.7-169.876.7000112.6K351 T352 Q353 S357 L359 T363 E364 I367K351-L355 PolarHBondContact O-N 3.13Å; T352-L355 WeakPolarHBondContact O-CB 3.47Å; T352-L355 PolarHBondContact O-N 3.33Å; Q353-L355 VanDerWaalsContact C-N 3.31Å; Q353-L355 PolarHBondContact O-N 2.92Å; L355-S357 PolarHBondContact O-N 3.4Å; L355-L359 HydrophobicContact CD1-CD1 3.72Å; L355-L359 HydrophobicContact CG-CD1 3.96Å; L355-T363 HydrophobicContact CB-CG2 4.06Å; L355-T363 HydrophobicContact CD1-CG2 3.7Å; L355-E364 HydrophobicContact CD1-CG 3.95Å; L355-I367 HydrophobicContact CB-CD1 3.6Å; L355-I367 HydrophobicContact CD1-CD1 4.04Å; L355-I367 HydrophobicContact CD2-CD1 3.69Å; L355-I367 HydrophobicContact CG-CD1 3.98Å
356E70.8Confident83.5Confident162 Ų16295.7 Ų95.776%0.75748%0.478SS*.Hα-helixtrans-64.3-24.4176.5-64.4179.6165.700112.2T352 Q353T352-E356 PolarHBondContact O-N 3.29Å; Q353-E356 PolarHBondContact O-N 3.45Å
357S68.3Low83.2Confident87 Ų8790.4 Ų90.461%0.60846%0.456SS*.Hα-helixtrans-91.9-34-179.573.50000114.9Q354 L355Q354-S357 PolarHBondContact O-N 3.01Å; Q354-S357 PolarHBondContact O-OG 3.06Å; L355-S357 PolarHBondContact O-N 3.4Å
358K67.1Low83.1Confident162 Ų16291.7 Ų91.770%0.70446%0.461SS*.  trans-150.8107.6178-72.9-173-179.7177.90111Q354 T360Q354-K358 PolarHBondContact O-N 3.15Å; K358-T360 PolarHBondContact O-N 2.75Å
359L71.4Confident83.2Confident130 Ų13096.4 Ų96.468%0.68148%0.479SS*.  trans-79.7110178.8-166.475.7000110.9L355L355-L359 HydrophobicContact CD1-CD1 3.72Å; L355-L359 HydrophobicContact CG-CD1 3.96Å
360T78Confident83.2Confident68 Ų6889.9 Ų89.942%0.41745%0.45SS..  trans-136.5149.7171.476.20000110.1K358 K362 T363 E364K358-T360 PolarHBondContact O-N 2.75Å; T360-K362 PolarHBondContact O-N 2.72Å; T360-K362 VanDerWaalsContact O-N 3.16Å; T360-T363 WeakPolarHBondContact O-CB 3.08Å; T360-T363 PolarHBondContact O-N 3.3Å; T360-T363 PolarHBondContact OG1-N 3.1Å; T360-T363 PolarHBondContact OG1-OG1 2.88Å; T360-E364 PolarHBondContact O-N 3.26Å
361S78.3Confident83.4Confident97 Ų9793 Ų9368%0.67846%0.455SS*.Hα-helixtrans-57.6-29.4176.360.90000112.8E364 E365S361-E364 PolarHBondContact O-N 2.95Å; S361-E365 PolarHBondContact O-N 2.68Å
362K83.6Confident83.7Confident145 Ų14598.3 Ų98.363%0.6347%0.473SS*.Hα-helixtrans-66-41.2173.4-174.6179.8176.3-178.30112T360 E364 E365 E366T360-K362 PolarHBondContact O-N 2.72Å; T360-K362 VanDerWaalsContact O-N 3.16Å; K362-E364 VanDerWaalsContact C-N 3.33Å; K362-E364 PolarHBondContact O-N 3.17Å; K362-E365 PolarHBondContact O-N 3.22Å; K362-E366 WeakPolarHBondContact O-CG 3.49Å; K362-E366 PolarHBondContact O-N 3.31Å; K362-E366 VanDerWaalsContact O-N 3.14Å
363T79.2Confident84.1Confident17 Ų1799.6 Ų99.610%0.10447%0.474CS..Hα-helixtrans-64.8-37.9178.1-44.10000111.3L355 T360 E366 I367L355-T363 HydrophobicContact CB-CG2 4.06Å; L355-T363 HydrophobicContact CD1-CG2 3.7Å; T360-T363 WeakPolarHBondContact O-CB 3.08Å; T360-T363 PolarHBondContact O-N 3.3Å; T360-T363 PolarHBondContact OG1-N 3.1Å; T360-T363 PolarHBondContact OG1-OG1 2.88Å; T363-E366 PolarHBondContact O-N 3.13Å; T363-I367 HydrophobicContact CG2-CD1 4.44Å; T363-I367 WeakPolarHBondContact O-CG1 3.42Å; T363-I367 PolarHBondContact O-N 2.95Å; T363-I367 VanDerWaalsContact O-N 3.07Å
364E84.6Confident84.6Confident106 Ų10694.3 Ų94.350%0.49545%0.451SS..Hα-helixtrans-63.7-45177.4-68.7-179167.600112.8L355 T360 S361 K362 I367 K368L355-E364 HydrophobicContact CD1-CG 3.95Å; T360-E364 PolarHBondContact O-N 3.26Å; S361-E364 PolarHBondContact O-N 2.95Å; K362-E364 VanDerWaalsContact C-N 3.33Å; K362-E364 PolarHBondContact O-N 3.17Å; E364-I367 PolarHBondContact O-N 2.72Å; E364-K368 PolarHBondContact O-N 3.32Å
365E88.4Confident85.3Confident108 Ų10893.5 Ų93.551%0.50545%0.452SS..Hα-helixtrans-67.2-35.1176.8-79.3-61.8145.900112.4S361 K362 K368 K369S361-E365 PolarHBondContact O-N 2.68Å; K362-E365 PolarHBondContact O-N 3.22Å; E365-K368 PolarHBondContact O-N 2.7Å; E365-K368 IonicContact OE1-NZ 3.52Å; E365-K369 WeakPolarHBondContact O-CB 3.36Å; E365-K369 PolarHBondContact O-N 3.11Å
366E90Very high86.4Confident66 Ų6696 Ų9631%0.30846%0.463SS..Hα-helixtrans-63.8-39.8173.4-74.5-175.4-171.700112.4K351 K362 T363 K369 A370K351-E366 IonicContact NZ-OE2 2.71Å; K351-E366 PolarHBondContact NZ-OE2 3.09Å; K362-E366 WeakPolarHBondContact O-CG 3.49Å; K362-E366 PolarHBondContact O-N 3.31Å; K362-E366 VanDerWaalsContact O-N 3.14Å; T363-E366 PolarHBondContact O-N 3.13Å; E366-K369 PolarHBondContact O-N 3.09Å; E366-A370 WeakPolarHBondContact O-CB 3.43Å; E366-A370 PolarHBondContact O-N 3.11Å
367I90.7Very high87.7Confident26 Ų2688.6 Ų88.613%0.13343%0.43CS..Hα-helixtrans-65.6-45.2174.5-72.4168.2000111.1L348 K351 L355 T363 E364 K369 A370 R371L348-I367 HydrophobicContact CD1-CG2 4.21Å; K351-I367 HydrophobicContact CB-CG1 3.92Å; K351-I367 WeakPolarHBondContact O-CD1 3.32Å; L355-I367 HydrophobicContact CB-CD1 3.6Å; L355-I367 HydrophobicContact CD1-CD1 4.04Å; L355-I367 HydrophobicContact CD2-CD1 3.69Å; L355-I367 HydrophobicContact CG-CD1 3.98Å; T363-I367 HydrophobicContact CG2-CD1 4.44Å; T363-I367 WeakPolarHBondContact O-CG1 3.42Å; T363-I367 PolarHBondContact O-N 2.95Å; T363-I367 VanDerWaalsContact O-N 3.07Å; E364-I367 PolarHBondContact O-N 2.72Å; I367-K369 PolarHBondContact O-N 3.47Å; I367-A370 PolarHBondContact O-N 3.08Å; I367-R371 WeakPolarHBondContact O-CB 3.33Å; I367-R371 PolarHBondContact O-N 3.36Å
368K92.9Very high89.1Confident96 Ų9685.6 Ų85.642%0.41741%0.412SS..Hα-helixtrans-58-41177.2-169.2180-176.2178.40111.1E364 E365 R372E364-K368 PolarHBondContact O-N 3.32Å; E365-K368 PolarHBondContact O-N 2.7Å; E365-K368 IonicContact OE1-NZ 3.52Å; K368-R372 WeakPolarHBondContact O-CG 3.47Å; K368-R372 PolarHBondContact O-N 3.35Å; K368-R372 VanDerWaalsContact O-N 3.09Å
369K94.9Very high90.5Very high130 Ų13081.5 Ų81.557%0.56540%0.398SS*.Hα-helixtrans-65.6-46.7174.3-174.3178-177.7177.20112.4E365 E366 I367 R371 R372 K373E365-K369 WeakPolarHBondContact O-CB 3.36Å; E365-K369 PolarHBondContact O-N 3.11Å; E366-K369 PolarHBondContact O-N 3.09Å; I367-K369 PolarHBondContact O-N 3.47Å; K369-R371 VanDerWaalsContact C-N 3.31Å; K369-R371 PolarHBondContact O-N 3.41Å; K369-R372 PolarHBondContact O-N 3.02Å; K369-K373 WeakPolarHBondContact O-CG 3.19Å; K369-K373 PolarHBondContact O-N 2.89Å; K369-K373 VanDerWaalsContact O-N 3.08Å
370A94.7Very high91.8Very high4 Ų477.9 Ų77.93%0.03338%0.38CS..Hα-helixtrans-61.2-40.8177.300000111.5L348 E366 I367 K373 S374L348-A370 HydrophobicContact CB-CB 4.38Å; L348-A370 HydrophobicContact CD1-CB 3.92Å; E366-A370 WeakPolarHBondContact O-CB 3.43Å; E366-A370 PolarHBondContact O-N 3.11Å; I367-A370 PolarHBondContact O-N 3.08Å; A370-K373 PolarHBondContact O-N 2.92Å; A370-S374 PolarHBondContact O-N 3.44Å
371R96.1Very high92.8Very high169 Ų16976.1 Ų76.164%0.63837%0.367SS*.Hα-helixtrans-61.8-48.8177.2-163.5178.4-152.3-176.66.9111.6L348 I367 K369 K373 S374 T375L348-R371 HydrophobicContact CD1-CB 4.03Å; L348-R371 HydrophobicContact CD2-CB 4.39Å; L348-R371 HydrophobicContact CD2-CG 4.28Å; I367-R371 WeakPolarHBondContact O-CB 3.33Å; I367-R371 PolarHBondContact O-N 3.36Å; K369-R371 VanDerWaalsContact C-N 3.31Å; K369-R371 PolarHBondContact O-N 3.41Å; R371-K373 VanDerWaalsContact C-N 3.32Å; R371-K373 PolarHBondContact O-N 3.18Å; R371-S374 PolarHBondContact O-N 3.33Å; R371-S374 VanDerWaalsContact O-N 3.14Å; R371-T375 PolarHBondContact O-N 3.34Å; R371-T375 PolarHBondContact O-OG1 2.66Å; R371-T375 VanDerWaalsContact O-OG1 3.14Å
372R96.3Very high93.7Very high165 Ų16577.3 Ų77.362%0.62336%0.364SS*.Hα-helixtrans-56.5-44175.1-74173.4179.5178.4-2112.1K368 K369 T375 Q376K368-R372 WeakPolarHBondContact O-CG 3.47Å; K368-R372 PolarHBondContact O-N 3.35Å; K368-R372 VanDerWaalsContact O-N 3.09Å; K369-R372 PolarHBondContact O-N 3.02Å; R372-T375 PolarHBondContact O-N 3.16Å; R372-Q376 WeakPolarHBondContact O-CB 3.27Å; R372-Q376 PolarHBondContact O-N 3.01Å
373K96.7Very high94.4Very high83 Ų8376 Ų7636%0.36136%0.355SS..Hα-helixtrans-65-38176.7-71.6179.6176.9-178.80112.8K369 A370 R371 A377K369-K373 WeakPolarHBondContact O-CG 3.19Å; K369-K373 PolarHBondContact O-N 2.89Å; K369-K373 VanDerWaalsContact O-N 3.08Å; A370-K373 PolarHBondContact O-N 2.92Å; R371-K373 VanDerWaalsContact C-N 3.32Å; R371-K373 PolarHBondContact O-N 3.18Å; K373-A377 WeakPolarHBondContact O-CB 3.48Å; K373-A377 PolarHBondContact O-N 3.34Å
374S97.5Very high95.3Very high14 Ų1476.6 Ų76.610%0.09836%0.359CS..Hα-helixtrans-67-41.5175.4-175.80000111.6L341 A370 R371 A377 G378L341-S374 WeakPolarHBondContact CD1-O 3.4Å; A370-S374 PolarHBondContact O-N 3.44Å; R371-S374 PolarHBondContact O-N 3.33Å; R371-S374 VanDerWaalsContact O-N 3.14Å; S374-A377 PolarHBondContact O-N 3.27Å; S374-G378 PolarHBondContact O-N 3.03Å; S374-G378 VanDerWaalsContact O-N 3.09Å
375T97.2Very high96Very high82 Ų8273.8 Ų73.850%0.50335%0.349SS..Hα-helixtrans-61.7-48.2174.2-57.40000110.7R371 R372 A377 G378 D379R371-T375 PolarHBondContact O-N 3.34Å; R371-T375 PolarHBondContact O-OG1 2.66Å; R371-T375 VanDerWaalsContact O-OG1 3.14Å; R372-T375 PolarHBondContact O-N 3.16Å; T375-A377 VanDerWaalsContact C-N 3.32Å; T375-A377 PolarHBondContact O-N 2.9Å; T375-G378 WeakPolarHBondContact O-CA 3.32Å; T375-G378 PolarHBondContact O-N 3.48Å; T375-D379 PolarHBondContact O-N 2.93Å
376Q97.7Very high96.4Very high98 Ų9872.3 Ų72.346%0.45835%0.345SS..Hα-helixtrans-57.8-42.1176.9-176.263.156.600112.6R372 G378 D379 D380R372-Q376 WeakPolarHBondContact O-CB 3.27Å; R372-Q376 PolarHBondContact O-N 3.01Å; Q376-G378 PolarHBondContact O-N 3.19Å; Q376-D379 PolarHBondContact O-N 3.39Å; Q376-D380 PolarHBondContact NE2-OD1 2.74Å; Q376-D380 VanDerWaalsContact NE2-OD1 3.14Å; Q376-D380 WeakPolarHBondContact O-CB 3.38Å; Q376-D380 PolarHBondContact O-N 2.92Å
377A97.7Very high96.8Very high8 Ų871.9 Ų71.97%0.06634%0.344CS..Hα-helixtrans-65.1-30175.800000112.5L341 R344 K373 S374 T375 L381L341-A377 HydrophobicContact CB-CB 4.28Å; L341-A377 HydrophobicContact CD1-CB 4.08Å; R344-A377 HydrophobicContact CB-CB 4.46Å; R344-A377 HydrophobicContact CG-CB 4.26Å; K373-A377 WeakPolarHBondContact O-CB 3.48Å; K373-A377 PolarHBondContact O-N 3.34Å; S374-A377 PolarHBondContact O-N 3.27Å; T375-A377 VanDerWaalsContact C-N 3.32Å; T375-A377 PolarHBondContact O-N 2.9Å; A377-L381 WeakPolarHBondContact O-CB 3.45Å; A377-L381 PolarHBondContact O-N 3.42Å
378G97.8Very high97.2Very high23 Ų2371.2 Ų71.224%0.23734%0.34CS..Hα-helixtrans-67.5-46.817200000112.1S374 T375 Q376 D380 L381 M382S374-G378 PolarHBondContact O-N 3.03Å; S374-G378 VanDerWaalsContact O-N 3.09Å; T375-G378 WeakPolarHBondContact O-CA 3.32Å; T375-G378 PolarHBondContact O-N 3.48Å; Q376-G378 PolarHBondContact O-N 3.19Å; G378-D380 VanDerWaalsContact C-N 3.27Å; G378-D380 PolarHBondContact O-N 3.07Å; G378-L381 PolarHBondContact O-N 3.11Å; G378-M382 PolarHBondContact O-N 3.14Å
379D97.8Very high97.4Very high76 Ų7670 Ų7041%0.40634%0.338SS..Hα-helixtrans-62.6-36.8175.7-60-25.3000111.4T375 Q376 M382 R383T375-D379 PolarHBondContact O-N 2.93Å; Q376-D379 PolarHBondContact O-N 3.39Å; D379-M382 PolarHBondContact O-N 3.13Å; D379-R383 PolarHBondContact O-N 3.29Å
380D97.9Very high97.6Very high55 Ų5569.7 Ų69.729%0.29434%0.339SS..Hα-helixtrans-66.6-42.9175.1-68.4-20.4000112.5Q376 G378 R383 C384Q376-D380 PolarHBondContact NE2-OD1 2.74Å; Q376-D380 VanDerWaalsContact NE2-OD1 3.14Å; Q376-D380 WeakPolarHBondContact O-CB 3.38Å; Q376-D380 PolarHBondContact O-N 2.92Å; G378-D380 VanDerWaalsContact C-N 3.27Å; G378-D380 PolarHBondContact O-N 3.07Å; D380-R383 PolarHBondContact O-N 3.5Å; D380-R383 IonicContact OD1-CZ 3.82Å; D380-R383 VanDerWaalsContact OD1-CZ 3.24Å; D380-R383 IonicContact OD1-NH1 3.38Å; D380-R383 PolarHBondContact OD1-NH1 3.43Å; D380-R383 IonicContact OD1-NH2 3.92Å; D380-R383 PolarHBondContact OD1-NH2 3.23Å; D380-C384 PolarHBondContact O-N 2.87Å; D380-C384 PolarHBondContact O-SG 3.19Å; D380-C384 VanDerWaalsContact O-SG 3.41Å
381L98.1Very high97.7Very high31 Ų3170.4 Ų70.416%0.16234%0.343CS..Hα-helixtrans-61.1-44.8173.5175.161.1000111.2V334 A337 R338 L341 A377 G378 R383 C384 V385V334-L381 HydrophobicContact CG1-CD1 4.14Å; A337-L381 HydrophobicContact CB-CB 4.2Å; A337-L381 HydrophobicContact CB-CD1 4.02Å; R338-L381 HydrophobicContact CB-CD1 4.14Å; L341-L381 HydrophobicContact CD2-CD2 3.63Å; A377-L381 WeakPolarHBondContact O-CB 3.45Å; A377-L381 PolarHBondContact O-N 3.42Å; G378-L381 PolarHBondContact O-N 3.11Å; L381-R383 VanDerWaalsContact C-N 3.33Å; L381-R383 PolarHBondContact O-N 2.95Å; L381-C384 PolarHBondContact O-N 2.69Å; L381-V385 HydrophobicContact CD1-CG2 4.03Å; L381-V385 HydrophobicContact CG-CG2 4.41Å; L381-V385 WeakPolarHBondContact O-CG2 3.31Å; L381-V385 PolarHBondContact O-N 3.03Å
382M97.9Very high97.8Very high121 Ų12163.9 Ų63.960%0.59632%0.32SS*.Hα-helixtrans-56.6-48.9177.8-171.7174.4-68.700110.8G378 D379 C384 V385 D386G378-M382 PolarHBondContact O-N 3.14Å; D379-M382 PolarHBondContact O-N 3.13Å; M382-C384 VanDerWaalsContact C-N 3.35Å; M382-C384 PolarHBondContact O-N 3.01Å; M382-V385 PolarHBondContact O-N 3.46Å; M382-V385 VanDerWaalsContact O-N 3.17Å; M382-D386 VanDerWaalsContact O-CG 3.31Å; M382-D386 PolarHBondContact O-N 2.93Å
383R98.3Very high97.8Very high119 Ų11959 Ų5945%0.44931%0.311SS..Hα-helixtrans-60.6-41176.3-165.8-170.6-441038.8113.1D379 D380 L381 V385 D386 L387D379-R383 PolarHBondContact O-N 3.29Å; D380-R383 PolarHBondContact O-N 3.5Å; D380-R383 IonicContact OD1-CZ 3.82Å; D380-R383 VanDerWaalsContact OD1-CZ 3.24Å; D380-R383 IonicContact OD1-NH1 3.38Å; D380-R383 PolarHBondContact OD1-NH1 3.43Å; D380-R383 IonicContact OD1-NH2 3.92Å; D380-R383 PolarHBondContact OD1-NH2 3.23Å; L381-R383 VanDerWaalsContact C-N 3.33Å; L381-R383 PolarHBondContact O-N 2.95Å; R383-V385 VanDerWaalsContact C-N 3.35Å; R383-D386 PolarHBondContact O-N 2.91Å; R383-L387 HydrophobicContact CG-CD1 4.49Å; R383-L387 WeakPolarHBondContact O-CG 3.38Å; R383-L387 PolarHBondContact O-N 3.17Å; R383-L387 VanDerWaalsContact O-N 3.11Å
384C98.5Very high97.9Very high28 Ų2860.3 Ų60.319%0.18932%0.317CS..Hα-helixtrans-64.3-40.5176.6-76.30000111.8V334 A337 D380 L381 M382 L387 Y388V334-C384 HydrophobicContact CG2-CB 3.95Å; V334-C384 WeakPolarHBondContact CG2-O 3.28Å; A337-C384 HydrophobicContact CB-CB 4.26Å; D380-C384 PolarHBondContact O-N 2.87Å; D380-C384 PolarHBondContact O-SG 3.19Å; D380-C384 VanDerWaalsContact O-SG 3.41Å; L381-C384 PolarHBondContact O-N 2.69Å; M382-C384 VanDerWaalsContact C-N 3.35Å; M382-C384 PolarHBondContact O-N 3.01Å; C384-L387 PolarHBondContact O-N 3.41Å; C384-Y388 WeakPolarHBondContact O-CB 3.47Å; C384-Y388 PolarHBondContact O-N 3.3Å
385V98.2Very high97.9Very high48 Ų4860.2 Ų60.229%0.29131%0.314SS..Hα-helixtrans-65.8-41.9176.71700000111V334 L381 M382 R383 L387 Y388 N389V334-V385 HydrophobicContact CG1-CG2 3.96Å; V334-V385 HydrophobicContact CG2-CG2 4.17Å; L381-V385 HydrophobicContact CD1-CG2 4.03Å; L381-V385 HydrophobicContact CG-CG2 4.41Å; L381-V385 WeakPolarHBondContact O-CG2 3.31Å; L381-V385 PolarHBondContact O-N 3.03Å; M382-V385 PolarHBondContact O-N 3.46Å; M382-V385 VanDerWaalsContact O-N 3.17Å; R383-V385 VanDerWaalsContact C-N 3.35Å; V385-L387 PolarHBondContact O-N 3.43Å; V385-Y388 WeakPolarHBondContact O-CB 3.21Å; V385-Y388 PolarHBondContact O-N 2.99Å; V385-N389 PolarHBondContact O-N 2.98Å; V385-N389 PolarHBondContact O-ND2 3.36Å
386D98.1Very high97.9Very high77 Ų7760.5 Ų60.541%0.41231%0.309SS..Hα-helixtrans-60.7-45.6176.7-67.7-23.3000111.7M382 R383 Y388 N389 Q390M382-D386 VanDerWaalsContact O-CG 3.31Å; M382-D386 PolarHBondContact O-N 2.93Å; R383-D386 PolarHBondContact O-N 2.91Å; D386-Y388 VanDerWaalsContact C-N 3.33Å; D386-Y388 PolarHBondContact O-N 3.48Å; D386-N389 PolarHBondContact O-N 2.96Å; D386-Q390 WeakPolarHBondContact O-CB 3.39Å; D386-Q390 VanDerWaalsContact O-CG 3.25Å; D386-Q390 WeakPolarHBondContact O-CG 3.45Å; D386-Q390 PolarHBondContact O-N 2.96Å
387L98.4Very high97.9Very high56 Ų5661.7 Ų61.729%0.29332%0.315SS..Hα-helixtrans-67-33.1177.5-69.1171.9000112.8R383 C384 V385 S391R383-L387 HydrophobicContact CG-CD1 4.49Å; R383-L387 WeakPolarHBondContact O-CG 3.38Å; R383-L387 PolarHBondContact O-N 3.17Å; R383-L387 VanDerWaalsContact O-N 3.11Å; C384-L387 PolarHBondContact O-N 3.41Å; V385-L387 PolarHBondContact O-N 3.43Å; L387-S391 WeakPolarHBondContact O-CB 3.26Å; L387-S391 PolarHBondContact O-N 3.3Å; L387-S391 VanDerWaalsContact O-N 3.11Å; L387-S391 PolarHBondContact O-OG 3.09Å
388Y98.5Very high97.9Very high12 Ų1264.4 Ų64.45%0.04733%0.326CS..Hα-helixtrans-63.6-51.6171.2168.5-96.5000110.9C176 T178 L327 R330 Y331 V334 C384 V385 D386 Q390 S391 Q392C176-Y388 WeakPolarHBondContact O-CE2 3.28Å; C176-Y388 PolarHBondContact O-OH 2.75Å; T178-Y388 PolarHBondContact N-OH 2.9Å; T178-Y388 PolarHBondContact OG1-OH 2.94Å; L327-Y388 HydrophobicContact CD1-CD2 3.7Å; L327-Y388 HydrophobicContact CD1-CE2 3.39Å; L327-Y388 HydrophobicContact CG-CE2 4.14Å; R330-Y388 HydrophobicContact CB-CD2 4.14Å; Y331-Y388 HydrophobicContact CD2-CE2 4.03Å; Y331-Y388 HydrophobicContact CG-CE2 4.49Å; V334-Y388 HydrophobicContact CG2-CG 4.38Å; C384-Y388 WeakPolarHBondContact O-CB 3.47Å; C384-Y388 PolarHBondContact O-N 3.3Å; V385-Y388 WeakPolarHBondContact O-CB 3.21Å; V385-Y388 PolarHBondContact O-N 2.99Å; D386-Y388 VanDerWaalsContact C-N 3.33Å; D386-Y388 PolarHBondContact O-N 3.48Å; Y388-Q390 PolarHBondContact O-N 3.12Å; Y388-S391 PolarHBondContact O-N 3.41Å; Y388-S391 VanDerWaalsContact O-N 3.12Å; Y388-Q392 PolarHBondContact O-N 3.35Å; Y388-Q392 PolarHBondContact OH-OE1 2.95Å
389N97.9Very high98Very high70 Ų7063.5 Ų63.537%0.37432%0.315SS..Hα-helixtrans-60.5-43.6179.8-72.5-25.4000111.6V385 D386 S391 Q392 S393V385-N389 PolarHBondContact O-N 2.98Å; V385-N389 PolarHBondContact O-ND2 3.36Å; D386-N389 PolarHBondContact O-N 2.96Å; N389-S391 VanDerWaalsContact C-N 3.32Å; N389-S391 PolarHBondContact O-N 3.07Å; N389-Q392 PolarHBondContact O-N 3.09Å; N389-S393 PolarHBondContact O-N 2.97Å; N389-S393 PolarHBondContact O-OG 2.73Å
390Q98Very high97.9Very high124 Ų12461 Ų6158%0.57930%0.303SS*.Hα-helixtrans-59.4-42.3174.6-72.4170.429.200112.3D386 Y388 K394D386-Q390 WeakPolarHBondContact O-CB 3.39Å; D386-Q390 VanDerWaalsContact O-CG 3.25Å; D386-Q390 WeakPolarHBondContact O-CG 3.45Å; D386-Q390 PolarHBondContact O-N 2.96Å; Y388-Q390 PolarHBondContact O-N 3.12Å; Q390-K394 WeakPolarHBondContact O-CB 3.02Å; Q390-K394 PolarHBondContact O-N 3.49Å
391S98Very high97.9Very high19 Ų1962.2 Ų62.213%0.13331%0.313CS..Hα-helixtrans-70.1-35.4178.4-56.60000111.7R330 L387 Y388 N389 W395R330-S391 WeakPolarHBondContact CG-OG 3.33Å; L387-S391 WeakPolarHBondContact O-CB 3.26Å; L387-S391 PolarHBondContact O-N 3.3Å; L387-S391 VanDerWaalsContact O-N 3.11Å; L387-S391 PolarHBondContact O-OG 3.09Å; Y388-S391 PolarHBondContact O-N 3.41Å; Y388-S391 VanDerWaalsContact O-N 3.12Å; N389-S391 VanDerWaalsContact C-N 3.32Å; N389-S391 PolarHBondContact O-N 3.07Å; S391-W395 WeakPolarHBondContact O-CB 3.35Å; S391-W395 PolarHBondContact O-N 3.43Å
392Q97.8Very high98Very high33 Ų3361.2 Ų61.215%0.15431%0.308CS..Hα-helixtrans-67-45.5174.9-172.6171-107.600111.3L327 Y388 N389 K394 W395 F396L327-Q392 HydrophobicContact CD1-CB 3.77Å; L327-Q392 HydrophobicContact CD1-CG 4.43Å; Y388-Q392 PolarHBondContact O-N 3.35Å; Y388-Q392 PolarHBondContact OH-OE1 2.95Å; N389-Q392 PolarHBondContact O-N 3.09Å; Q392-K394 VanDerWaalsContact C-N 3.35Å; Q392-K394 PolarHBondContact O-N 2.71Å; Q392-W395 HydrophobicContact CG-CE3 4.46Å; Q392-W395 PolarHBondContact O-N 3.15Å; Q392-F396 VanDerWaalsContact O-CB 3.29Å; Q392-F396 WeakPolarHBondContact O-CB 3.32Å; Q392-F396 PolarHBondContact O-N 3.38Å
393S96.8Very high98Very high62 Ų6255.4 Ų55.443%0.43428%0.279SS..Hα-helixtrans-61.1-43.4176.2-62.80000111.7N389 W395 F396 E397N389-S393 PolarHBondContact O-N 2.97Å; N389-S393 PolarHBondContact O-OG 2.73Å; S393-W395 PolarHBondContact O-N 3.09Å; S393-F396 WeakPolarHBondContact O-CB 3.38Å; S393-F396 PolarHBondContact O-N 3.27Å; S393-E397 WeakPolarHBondContact O-CG 3.48Å; S393-E397 PolarHBondContact O-N 3.37Å
394K97.1Very high98Very high111 Ų11152.6 Ų52.648%0.48327%0.273SS..Hα-helixtrans-61.7-45.1175.3-175.2175.9-177.7176.30112.2L323 Q390 Q392 F396 E398L323-K394 HydrophobicContact CD2-CD 4.19Å; L323-K394 HydrophobicContact CD2-CG 4.29Å; Q390-K394 WeakPolarHBondContact O-CB 3.02Å; Q390-K394 PolarHBondContact O-N 3.49Å; Q392-K394 VanDerWaalsContact C-N 3.35Å; Q392-K394 PolarHBondContact O-N 2.71Å; K394-F396 VanDerWaalsContact C-N 3.33Å; K394-E398 WeakPolarHBondContact O-CB 3.49Å; K394-E398 VanDerWaalsContact O-CG 3.27Å; K394-E398 WeakPolarHBondContact O-CG 3.48Å; K394-E398 PolarHBondContact O-N 2.91Å
395W98.4Very high98Very high11 Ų1154.1 Ų54.14%0.04228%0.277CS..Hα-helixtrans-62.3-41.7174.9167.569.8000111.8V177 W203 L323 R324 L327 S391 Q392 S393 M399V177-W395 HydrophobicContact CG1-CH2 4.29Å; V177-W395 HydrophobicContact CG1-CZ3 3.9Å; V177-W395 HydrophobicContact CG2-CH2 4.02Å; V177-W395 HydrophobicContact CG2-CZ3 4.07Å; W203-W395 AromaticContact CE3-CH2 3.92Å; W203-W395 HydrophobicContact CE3-CH2 3.92Å; W203-W395 HydrophobicContact CE3-CZ3 4.43Å; W203-W395 HydrophobicContact CZ3-CH2 4.24Å; W203-W395 HydrophobicContact CZ3-CZ3 4.5Å; L323-W395 HydrophobicContact CB-CB 4.2Å; L323-W395 HydrophobicContact CB-CG 4.48Å; R324-W395 VanDerWaalsContact CD-NE1 3.25Å; L327-W395 HydrophobicContact CD2-CD2 4.48Å; L327-W395 HydrophobicContact CD2-CE3 4.26Å; S391-W395 WeakPolarHBondContact O-CB 3.35Å; S391-W395 PolarHBondContact O-N 3.43Å; Q392-W395 HydrophobicContact CG-CE3 4.46Å; Q392-W395 PolarHBondContact O-N 3.15Å; S393-W395 PolarHBondContact O-N 3.09Å; W395-M399 HydrophobicContact CZ2-CG 4.34Å; W395-M399 WeakPolarHBondContact O-CB 3.46Å; W395-M399 PolarHBondContact O-N 3.5Å
396F97.9Very high98Very high88 Ų8851.8 Ų51.839%0.38626%0.263SS..Hα-helixtrans-59.7-53.1178.4171-93.7000111.5L191 W203 Q392 S393 K394 E398 M399 V400L191-F396 HydrophobicContact CD1-CZ 4.36Å; W203-F396 AromaticContact CH2-CD2 3.49Å; W203-F396 HydrophobicContact CH2-CD2 3.49Å; W203-F396 VanDerWaalsContact CH2-CD2 3.49Å; W203-F396 AromaticContact CH2-CE2 3.54Å; W203-F396 HydrophobicContact CH2-CE2 3.54Å; W203-F396 HydrophobicContact CH2-CG 4.39Å; W203-F396 HydrophobicContact CH2-CZ 4.47Å; W203-F396 HydrophobicContact CZ2-CD2 4.08Å; W203-F396 AromaticContact CZ2-CE2 3.66Å; W203-F396 HydrophobicContact CZ2-CE2 3.66Å; W203-F396 AromaticContact CZ3-CD2 3.77Å; W203-F396 HydrophobicContact CZ3-CD2 3.77Å; W203-F396 HydrophobicContact CZ3-CE2 4.22Å; Q392-F396 VanDerWaalsContact O-CB 3.29Å; Q392-F396 WeakPolarHBondContact O-CB 3.32Å; Q392-F396 PolarHBondContact O-N 3.38Å; S393-F396 WeakPolarHBondContact O-CB 3.38Å; S393-F396 PolarHBondContact O-N 3.27Å; K394-F396 VanDerWaalsContact C-N 3.33Å; F396-E398 PolarHBondContact O-N 3.13Å; F396-M399 PolarHBondContact O-N 3.46Å; F396-V400 HydrophobicContact CD1-CG2 4.45Å; F396-V400 HydrophobicContact CE1-CG2 4.06Å; F396-V400 HydrophobicContact CE2-CG2 4.18Å; F396-V400 HydrophobicContact CZ-CG2 3.91Å; F396-V400 WeakPolarHBondContact O-CG2 3.44Å; F396-V400 PolarHBondContact O-N 3.49Å
397E97.1Very high98Very high124 Ų12449.7 Ų49.758%0.57925%0.25SS*.Hα-helixtrans-59-47.1-179.6-72173-167.800111.8S393 M399 V400 T401S393-E397 WeakPolarHBondContact O-CG 3.48Å; S393-E397 PolarHBondContact O-N 3.37Å; E397-M399 VanDerWaalsContact C-N 3.33Å; E397-M399 PolarHBondContact O-N 2.73Å; E397-V400 PolarHBondContact O-N 3.35Å; E397-T401 WeakPolarHBondContact O-CG2 3.39Å; E397-T401 PolarHBondContact O-N 3.05Å; E397-T401 PolarHBondContact O-OG1 2.91Å
398E98.1Very high98Very high64 Ų6452.2 Ų52.230%0.29926%0.256SS..Hα-helixtrans-66.3-34.1178.4-68.1-73.9171.900112.5H319 I320 L323 K394 F396 T401 T402H319-E398 IonicContact CD2-OE2 2.74Å; H319-E398 IonicContact CE1-OE2 3.78Å; H319-E398 IonicContact NE2-OE2 2.66Å; H319-E398 PolarHBondContact NE2-OE2 2.72Å; I320-E398 HydrophobicContact CD1-CB 4.23Å; L323-E398 HydrophobicContact CD1-CB 3.56Å; L323-E398 HydrophobicContact CD1-CG 3.71Å; K394-E398 WeakPolarHBondContact O-CB 3.49Å; K394-E398 VanDerWaalsContact O-CG 3.27Å; K394-E398 WeakPolarHBondContact O-CG 3.48Å; K394-E398 PolarHBondContact O-N 2.91Å; F396-E398 PolarHBondContact O-N 3.13Å; E398-T401 WeakPolarHBondContact CA-OG1 3.48Å; E398-T401 PolarHBondContact O-OG1 3.49Å; E398-T402 WeakPolarHBondContact O-CB 3.41Å; E398-T402 PolarHBondContact O-N 2.77Å; E398-T402 PolarHBondContact O-OG1 3.23Å
399M98.3Very high98Very high4 Ų451.9 Ų51.92%0.0226%0.255CS..Hα-helixtrans-68.2-41.9174.4-178.165.5-17100111.2F202 W203 F218 I320 W395 F396 E397 S403F202-M399 HydrophobicContact CB-CE 4.45Å; F202-M399 WeakPolarHBondContact O-CE 3.32Å; W203-M399 HydrophobicContact CE3-CG 4.1Å; W203-M399 HydrophobicContact CH2-CB 4.26Å; W203-M399 HydrophobicContact CH2-CG 4Å; W203-M399 HydrophobicContact CZ3-CB 3.82Å; W203-M399 HydrophobicContact CZ3-CG 3.41Å; W203-M399 VanDerWaalsContact CZ3-CG 3.41Å; F218-M399 HydrophobicContact CB-CE 3.68Å; F218-M399 HydrophobicContact CB-SD 3.79Å; F218-M399 HydrophobicContact CD2-CE 3.68Å; F218-M399 HydrophobicContact CD2-SD 3.44Å; F218-M399 WeakPolarHBondContact CD2-SD 3.49Å; F218-M399 HydrophobicContact CE2-SD 4.33Å; F218-M399 HydrophobicContact CG-CE 4.14Å; F218-M399 HydrophobicContact CG-SD 3.88Å; I320-M399 HydrophobicContact CG2-SD 4.21Å; W395-M399 HydrophobicContact CZ2-CG 4.34Å; W395-M399 WeakPolarHBondContact O-CB 3.46Å; W395-M399 PolarHBondContact O-N 3.5Å; F396-M399 PolarHBondContact O-N 3.46Å; E397-M399 VanDerWaalsContact C-N 3.33Å; E397-M399 PolarHBondContact O-N 2.73Å; M399-S403 WeakPolarHBondContact O-CB 3.4Å; M399-S403 PolarHBondContact O-N 3.29Å; M399-S403 PolarHBondContact O-OG 2.65Å
400V97.6Very high98Very high23 Ų2349.6 Ų49.614%0.13924%0.242CC..Hα-helixtrans-60.2-53.9174.2173.10000110.3L191 C199 W203 F396 E397 T402 S403 L404L191-V400 HydrophobicContact CD1-CG1 4.22Å; L191-V400 HydrophobicContact CD1-CG2 3.75Å; C199-V400 HydrophobicContact CB-CB 4.47Å; C199-V400 HydrophobicContact CB-CG1 4.05Å; W203-V400 HydrophobicContact CH2-CG2 3.6Å; W203-V400 HydrophobicContact CZ2-CG2 3.93Å; F396-V400 HydrophobicContact CD1-CG2 4.45Å; F396-V400 HydrophobicContact CE1-CG2 4.06Å; F396-V400 HydrophobicContact CE2-CG2 4.18Å; F396-V400 HydrophobicContact CZ-CG2 3.91Å; F396-V400 WeakPolarHBondContact O-CG2 3.44Å; F396-V400 PolarHBondContact O-N 3.49Å; E397-V400 PolarHBondContact O-N 3.35Å; V400-T402 PolarHBondContact O-N 3.34Å; V400-S403 PolarHBondContact O-N 3.17Å; V400-S403 PolarHBondContact O-OG 3.2Å; V400-L404 HydrophobicContact CG1-CD1 3.92Å; V400-L404 WeakPolarHBondContact O-CG 3.5Å; V400-L404 PolarHBondContact O-N 3.37Å
401T98.1Very high98Very high82 Ų8247.1 Ų47.150%0.50324%0.236SC..Hα-helixtrans-65.1-42.8-175.256.20000111.9E397 E398 L404 E405E397-T401 WeakPolarHBondContact O-CG2 3.39Å; E397-T401 PolarHBondContact O-N 3.05Å; E397-T401 PolarHBondContact O-OG1 2.91Å; E398-T401 WeakPolarHBondContact CA-OG1 3.48Å; E398-T401 PolarHBondContact O-OG1 3.49Å; T401-L404 PolarHBondContact O-N 2.85Å; T401-E405 PolarHBondContact O-N 3.24Å
402T98.2Very high98.1Very high9 Ų949.1 Ų49.16%0.05524%0.243CC..Hα-helixtrans-69.1-38.9-179.9-520000111.5F218 F316 I320 E398 V400 E405 L406F218-T402 HydrophobicContact CE2-CG2 3.69Å; F218-T402 HydrophobicContact CZ-CG2 3.52Å; F316-T402 HydrophobicContact CB-CG2 4.02Å; F316-T402 HydrophobicContact CD1-CG2 3.83Å; F316-T402 HydrophobicContact CE1-CG2 4.49Å; F316-T402 HydrophobicContact CG-CG2 4Å; I320-T402 HydrophobicContact CG1-CG2 4.46Å; E398-T402 WeakPolarHBondContact O-CB 3.41Å; E398-T402 PolarHBondContact O-N 2.77Å; E398-T402 PolarHBondContact O-OG1 3.23Å; V400-T402 PolarHBondContact O-N 3.34Å; T402-E405 PolarHBondContact O-N 3.04Å; T402-L406 WeakPolarHBondContact O-CG 3.16Å; T402-L406 PolarHBondContact O-N 2.96Å
403S98.3Very high98.1Very high0 Ų048.9 Ų48.90%024%0.24CC..Hα-helixtrans-66.5-40.117758.40000112.6C199 M399 V400 E405 L406 E407C199-S403 WeakPolarHBondContact CA-OG 3.37Å; C199-S403 WeakPolarHBondContact CB-OG 3.39Å; M399-S403 WeakPolarHBondContact O-CB 3.4Å; M399-S403 PolarHBondContact O-N 3.29Å; M399-S403 PolarHBondContact O-OG 2.65Å; V400-S403 PolarHBondContact O-N 3.17Å; V400-S403 PolarHBondContact O-OG 3.2Å; S403-E405 VanDerWaalsContact C-N 3.33Å; S403-E405 PolarHBondContact O-N 3.47Å; S403-L406 PolarHBondContact O-N 3.37Å; S403-E407 PolarHBondContact O-N 3.2Å
404L98.3Very high98.2Very high60 Ų6049.4 Ų49.431%0.31424%0.241SC..Hα-helixtrans-63.4-37.8172.4-72.1174.2000112.4K192 C199 V400 T401 E407 R408K192-L404 HydrophobicContact CD-CD2 4Å; C199-L404 HydrophobicContact CB-CD2 4.23Å; C199-L404 HydrophobicContact CB-CG 4.11Å; V400-L404 HydrophobicContact CG1-CD1 3.92Å; V400-L404 WeakPolarHBondContact O-CG 3.5Å; V400-L404 PolarHBondContact O-N 3.37Å; T401-L404 PolarHBondContact O-N 2.85Å; L404-E407 WeakPolarHBondContact O-CB 3.25Å; L404-E407 PolarHBondContact O-N 2.95Å; L404-R408 PolarHBondContact O-N 3.5Å
405E98.3Very high98.2Very high59 Ų5949.1 Ų49.128%0.27624%0.241SC..Hα-helixtrans-62.5-47.7172.7178.258.8-168.400110.4F316 T401 T402 S403 E407 R408 L409F316-E405 HydrophobicContact CZ-CG 4.28Å; T401-E405 PolarHBondContact O-N 3.24Å; T402-E405 PolarHBondContact O-N 3.04Å; S403-E405 VanDerWaalsContact C-N 3.33Å; S403-E405 PolarHBondContact O-N 3.47Å; E405-E407 VanDerWaalsContact C-N 3.26Å; E405-E407 PolarHBondContact O-N 3.38Å; E405-R408 WeakPolarHBondContact O-CB 3.36Å; E405-R408 PolarHBondContact O-N 3.4Å; E405-R408 VanDerWaalsContact O-N 3.16Å; E405-R408 IonicContact OE1-CZ 3.75Å; E405-R408 IonicContact OE1-NE 3.49Å; E405-R408 IonicContact OE1-NH2 2.72Å; E405-R408 PolarHBondContact OE1-NH2 2.97Å; E405-R408 IonicContact OE2-CZ 2.77Å; E405-R408 IonicContact OE2-NE 2.73Å; E405-R408 PolarHBondContact OE2-NE 3.34Å; E405-R408 IonicContact OE2-NH2 3.14Å; E405-R408 PolarHBondContact OE2-NH2 2.86Å; E405-L409 HydrophobicContact CG-CG 4.36Å; E405-L409 VanDerWaalsContact O-CG 3.22Å; E405-L409 WeakPolarHBondContact O-CG 3.33Å; E405-L409 PolarHBondContact O-N 3.35Å; E405-L409 WeakPolarHBondContact OE1-CD2 3.12Å
406L98.7Very high98.2Very high0 Ų049.4 Ų49.40%024%0.243CC..Hα-helixtrans-58.7-36.6176.1-64.9-171.7000112.7Y198 F218 L221 L222 Q225 M313 F316 T402 S403 L409 E410Y198-L406 HydrophobicContact CD2-CB 4.17Å; Y198-L406 HydrophobicContact CE2-CB 4.38Å; F218-L406 HydrophobicContact CE2-CD1 3.73Å; F218-L406 HydrophobicContact CZ-CD1 3.96Å; L221-L406 HydrophobicContact CB-CD1 3.9Å; L222-L406 HydrophobicContact CD2-CD1 4.26Å; Q225-L406 HydrophobicContact CG-CB 4.48Å; Q225-L406 HydrophobicContact CG-CD1 4.41Å; Q225-L406 HydrophobicContact CG-CD2 4.16Å; Q225-L406 PolarHBondContact NE2-O 3.48Å; M313-L406 HydrophobicContact CE-CD2 3.75Å; M313-L406 HydrophobicContact SD-CD2 4.06Å; F316-L406 HydrophobicContact CD2-CD2 3.96Å; F316-L406 HydrophobicContact CE2-CD2 4.21Å; T402-L406 WeakPolarHBondContact O-CG 3.16Å; T402-L406 PolarHBondContact O-N 2.96Å; S403-L406 PolarHBondContact O-N 3.37Å; L406-L409 HydrophobicContact CD2-CD1 4.27Å; L406-L409 PolarHBondContact O-N 3.37Å; L406-E410 PolarHBondContact O-N 3.16Å
407E98.5Very high98.3Very high32 Ų3246 Ų4615%0.1523%0.229CC..Hα-helixtrans-61.7-51.5174.4-179.7173.6110.900111.1K192 S197 Y198 S403 L404 E405 L409 E410 V411K192-E407 IonicContact NZ-OE1 3.61Å; K192-E407 PolarHBondContact NZ-OE1 2.84Å; S197-E407 WeakPolarHBondContact CA-OE2 3.25Å; S197-E407 PolarHBondContact OG-OE2 3.39Å; Y198-E407 HydrophobicContact CD2-CB 3.68Å; Y198-E407 HydrophobicContact CE2-CB 4.13Å; Y198-E407 HydrophobicContact CG-CB 4.08Å; Y198-E407 PolarHBondContact N-OE2 3.17Å; S403-E407 PolarHBondContact O-N 3.2Å; L404-E407 WeakPolarHBondContact O-CB 3.25Å; L404-E407 PolarHBondContact O-N 2.95Å; E405-E407 VanDerWaalsContact C-N 3.26Å; E405-E407 PolarHBondContact O-N 3.38Å; E407-L409 VanDerWaalsContact C-N 3.29Å; E407-L409 PolarHBondContact O-N 2.69Å; E407-E410 WeakPolarHBondContact O-CB 3.38Å; E407-E410 PolarHBondContact O-N 3.49Å; E407-V411 PolarHBondContact O-N 2.89Å
408R98.4Very high98.4Very high109 Ų10947.4 Ų47.441%0.41123%0.229SC..Hα-helixtrans-56.2-43.4175.8-168.1-172.174.378.79.1111.9L404 E405 E410 V411 E412L404-R408 PolarHBondContact O-N 3.5Å; E405-R408 WeakPolarHBondContact O-CB 3.36Å; E405-R408 PolarHBondContact O-N 3.4Å; E405-R408 VanDerWaalsContact O-N 3.16Å; E405-R408 IonicContact OE1-CZ 3.75Å; E405-R408 IonicContact OE1-NE 3.49Å; E405-R408 IonicContact OE1-NH2 2.72Å; E405-R408 PolarHBondContact OE1-NH2 2.97Å; E405-R408 IonicContact OE2-CZ 2.77Å; E405-R408 IonicContact OE2-NE 2.73Å; E405-R408 PolarHBondContact OE2-NE 3.34Å; E405-R408 IonicContact OE2-NH2 3.14Å; E405-R408 PolarHBondContact OE2-NH2 2.86Å; R408-E410 VanDerWaalsContact C-N 3.3Å; R408-E410 PolarHBondContact O-N 3.28Å; R408-V411 PolarHBondContact O-N 3.4Å; R408-E412 IonicContact CZ-OE1 3.71Å; R408-E412 IonicContact NH1-OE1 2.8Å; R408-E412 PolarHBondContact NH1-OE1 3.12Å; R408-E412 IonicContact NH1-OE2 2.78Å; R408-E412 IonicContact NH2-OE1 3.77Å; R408-E412 WeakPolarHBondContact O-CG 3.5Å; R408-E412 PolarHBondContact O-N 2.97Å
409L98.2Very high98.4Very high5 Ų550 Ų503%0.02624%0.241CC..Hα-helixtrans-60.4-38.7176.4-66.5-165.3000112.8M313 F316 E405 L406 E407 R413M313-L409 HydrophobicContact CE-CD1 3.96Å; F316-L409 HydrophobicContact CE2-CD1 4.4Å; E405-L409 HydrophobicContact CG-CG 4.36Å; E405-L409 VanDerWaalsContact O-CG 3.22Å; E405-L409 WeakPolarHBondContact O-CG 3.33Å; E405-L409 PolarHBondContact O-N 3.35Å; E405-L409 WeakPolarHBondContact OE1-CD2 3.12Å; L406-L409 HydrophobicContact CD2-CD1 4.27Å; L406-L409 PolarHBondContact O-N 3.37Å; E407-L409 VanDerWaalsContact C-N 3.29Å; E407-L409 PolarHBondContact O-N 2.69Å; L409-R413 WeakPolarHBondContact O-CB 3.28Å; L409-R413 PolarHBondContact O-N 3.2Å; L409-R413 VanDerWaalsContact O-N 3.09Å
410E98.4Very high98.4Very high22 Ų2251.2 Ų51.210%0.10325%0.246CC..Hα-helixtrans-70.5-41177.9176.860.2-170.200111.6K224 L406 E407 R408 R413 V414K224-E410 IonicContact NZ-OE1 3.11Å; K224-E410 PolarHBondContact NZ-OE1 3.16Å; K224-E410 IonicContact NZ-OE2 2.59Å; K224-E410 PolarHBondContact NZ-OE2 3.49Å; L406-E410 PolarHBondContact O-N 3.16Å; E407-E410 WeakPolarHBondContact O-CB 3.38Å; E407-E410 PolarHBondContact O-N 3.49Å; R408-E410 VanDerWaalsContact C-N 3.3Å; R408-E410 PolarHBondContact O-N 3.28Å; E410-R413 WeakPolarHBondContact O-CB 3.32Å; E410-R413 PolarHBondContact O-N 3Å; E410-R413 IonicContact OE1-CZ 2.69Å; E410-R413 IonicContact OE1-NE 3.74Å; E410-R413 IonicContact OE1-NH2 3.46Å; E410-R413 PolarHBondContact OE1-NH2 3.37Å; E410-R413 IonicContact OE2-CZ 3.49Å; E410-R413 IonicContact OE2-NE 2.71Å; E410-R413 PolarHBondContact OE2-NE 3.38Å; E410-R413 IonicContact OE2-NH2 3.42Å; E410-R413 PolarHBondContact OE2-NH2 3.08Å; E410-V414 WeakPolarHBondContact O-CG2 3.34Å; E410-V414 PolarHBondContact O-N 3.35Å
411V98.5Very high98.4Very high73 Ų7353.8 Ų53.844%0.44226%0.259SS..Hα-helixtrans-59.2-51.8175.5174.30000110.3E407 R408 R413 V414 E415E407-V411 PolarHBondContact O-N 2.89Å; R408-V411 PolarHBondContact O-N 3.4Å; V411-R413 VanDerWaalsContact C-N 3.27Å; V411-R413 PolarHBondContact O-N 3.34Å; V411-V414 PolarHBondContact O-N 3.48Å; V411-V414 VanDerWaalsContact O-N 3.12Å; V411-E415 HydrophobicContact CG1-CG 4.43Å; V411-E415 WeakPolarHBondContact O-CG 3.44Å; V411-E415 PolarHBondContact O-N 3.33Å
412E98.4Very high98.4Very high61 Ų6152.6 Ų52.629%0.28525%0.254SS..Hα-helixtrans-57.3-39.9177.2-73.8-176.6167.900112.5R306 R408 E415 M416R306-E412 IonicContact CZ-OE2 2.73Å; R306-E412 IonicContact NE-OE2 2.69Å; R306-E412 IonicContact NH2-OE2 3.67Å; R306-E412 PolarHBondContact NH2-OE2 2.97Å; R408-E412 IonicContact CZ-OE1 3.71Å; R408-E412 IonicContact NH1-OE1 2.8Å; R408-E412 PolarHBondContact NH1-OE1 3.12Å; R408-E412 IonicContact NH1-OE2 2.78Å; R408-E412 IonicContact NH2-OE1 3.77Å; R408-E412 WeakPolarHBondContact O-CG 3.5Å; R408-E412 PolarHBondContact O-N 2.97Å; E412-E415 PolarHBondContact O-N 3.18Å; E412-M416 VanDerWaalsContact O-CB 3.28Å; E412-M416 WeakPolarHBondContact O-CB 3.43Å; E412-M416 PolarHBondContact O-N 3.03Å
413R98.6Very high98.4Very high27 Ų2755.1 Ų55.110%0.10227%0.265CS..Hα-helixtrans-62.7-45.6177.7-172-168.471.672.912.9111G228 F305 L409 E410 V411 I417G228-R413 PolarHBondContact O-NH1 2.96Å; F305-R413 HydrophobicContact CE1-CB 4.15Å; F305-R413 HydrophobicContact CE1-CG 4.18Å; L409-R413 WeakPolarHBondContact O-CB 3.28Å; L409-R413 PolarHBondContact O-N 3.2Å; L409-R413 VanDerWaalsContact O-N 3.09Å; E410-R413 WeakPolarHBondContact O-CB 3.32Å; E410-R413 PolarHBondContact O-N 3Å; E410-R413 IonicContact OE1-CZ 2.69Å; E410-R413 IonicContact OE1-NE 3.74Å; E410-R413 IonicContact OE1-NH2 3.46Å; E410-R413 PolarHBondContact OE1-NH2 3.37Å; E410-R413 IonicContact OE2-CZ 3.49Å; E410-R413 IonicContact OE2-NE 2.71Å; E410-R413 PolarHBondContact OE2-NE 3.38Å; E410-R413 IonicContact OE2-NH2 3.42Å; E410-R413 PolarHBondContact OE2-NH2 3.08Å; V411-R413 VanDerWaalsContact C-N 3.27Å; V411-R413 PolarHBondContact O-N 3.34Å; R413-I417 HydrophobicContact CG-CD1 4.32Å; R413-I417 WeakPolarHBondContact O-CG1 3.34Å; R413-I417 PolarHBondContact O-N 3.48Å
414V98.7Very high98.4Very high73 Ų7357.1 Ų57.144%0.44227%0.272SS..Hα-helixtrans-65.7-42.7179.3171.60000110.9E410 V411 I417 R418E410-V414 WeakPolarHBondContact O-CG2 3.34Å; E410-V414 PolarHBondContact O-N 3.35Å; V411-V414 PolarHBondContact O-N 3.48Å; V411-V414 VanDerWaalsContact O-N 3.12Å; V414-I417 PolarHBondContact O-N 2.91Å; V414-R418 WeakPolarHBondContact O-CB 3.4Å; V414-R418 PolarHBondContact O-N 2.8Å
415E98.5Very high98.4Very high106 Ų10657.3 Ų57.350%0.49528%0.277SS..Hα-helixtrans-63.1-44.8176.8-73.3179.7169.800112.3V411 E412 I417 R418 Q419V411-E415 HydrophobicContact CG1-CG 4.43Å; V411-E415 WeakPolarHBondContact O-CG 3.44Å; V411-E415 PolarHBondContact O-N 3.33Å; E412-E415 PolarHBondContact O-N 3.18Å; E415-I417 VanDerWaalsContact C-N 3.34Å; E415-I417 PolarHBondContact O-N 2.98Å; E415-R418 PolarHBondContact O-N 3.17Å; E415-Q419 WeakPolarHBondContact O-CB 3.33Å; E415-Q419 PolarHBondContact O-N 3.35Å
416M98.4Very high98.3Very high16 Ų1657.2 Ų57.28%0.07928%0.28CS..Hα-helixtrans-60.4-43.8175.4-177.4-79-59.800111.2Q232 F302 F305 E412 Q419 H420Q232-M416 HydrophobicContact CG-CE 4.37Å; F302-M416 HydrophobicContact CD1-CE 4.26Å; F302-M416 HydrophobicContact CD1-SD 3.81Å; F302-M416 HydrophobicContact CE1-SD 4.01Å; F305-M416 HydrophobicContact CB-CE 3.79Å; F305-M416 HydrophobicContact CB-SD 4.39Å; F305-M416 HydrophobicContact CD1-CE 3.54Å; F305-M416 HydrophobicContact CD2-CB 4.41Å; F305-M416 HydrophobicContact CD2-CE 4Å; F305-M416 HydrophobicContact CD2-CG 3.78Å; F305-M416 HydrophobicContact CD2-SD 4.43Å; F305-M416 HydrophobicContact CE1-CE 4.01Å; F305-M416 HydrophobicContact CE2-CB 4.08Å; F305-M416 HydrophobicContact CE2-CE 4.44Å; F305-M416 HydrophobicContact CE2-CG 3.94Å; F305-M416 HydrophobicContact CG-CE 3.51Å; F305-M416 HydrophobicContact CG-CG 4.27Å; F305-M416 HydrophobicContact CG-SD 4.35Å; F305-M416 HydrophobicContact CZ-CB 4.32Å; F305-M416 HydrophobicContact CZ-CE 4.43Å; E412-M416 VanDerWaalsContact O-CB 3.28Å; E412-M416 WeakPolarHBondContact O-CB 3.43Å; E412-M416 PolarHBondContact O-N 3.03Å; M416-Q419 PolarHBondContact O-N 2.96Å; M416-H420 PolarHBondContact O-N 3.39Å; M416-H420 VanDerWaalsContact O-N 3.15Å; M416-H420 PolarHBondContact O-ND1 3.29Å; M416-H420 PolarHBondContact SD-ND1 3.35Å; M416-H420 VanDerWaalsContact SD-ND1 3.44Å
417I98.6Very high98.2Very high16 Ų1657.3 Ų57.38%0.08228%0.28CS..Hα-helixtrans-60.8-49.7175.6-71.9170.6000110.7Q232 M235 F302 R413 V414 E415 Q419 H420 L421Q232-I417 HydrophobicContact CB-CD1 4.44Å; M235-I417 HydrophobicContact SD-CD1 4.14Å; M235-I417 HydrophobicContact SD-CG2 4Å; F302-I417 HydrophobicContact CE1-CB 4.49Å; F302-I417 HydrophobicContact CE1-CG1 4.21Å; R413-I417 HydrophobicContact CG-CD1 4.32Å; R413-I417 WeakPolarHBondContact O-CG1 3.34Å; R413-I417 PolarHBondContact O-N 3.48Å; V414-I417 PolarHBondContact O-N 2.91Å; E415-I417 VanDerWaalsContact C-N 3.34Å; E415-I417 PolarHBondContact O-N 2.98Å; I417-Q419 VanDerWaalsContact C-N 3.29Å; I417-Q419 PolarHBondContact O-N 2.95Å; I417-H420 PolarHBondContact O-N 3.26Å; I417-L421 HydrophobicContact CG2-CD1 3.77Å; I417-L421 HydrophobicContact CG2-CG 4.2Å; I417-L421 WeakPolarHBondContact O-CG 3.49Å; I417-L421 PolarHBondContact O-N 3.01Å
418R98.6Very high98.2Very high155 Ų15559.1 Ų59.159%0.58529%0.286SS*.Hα-helixtrans-56.2-45.6178.7-174.2-168.363.873.1-0.2111.2V414 E415 H420 L421 C422V414-R418 WeakPolarHBondContact O-CB 3.4Å; V414-R418 PolarHBondContact O-N 2.8Å; E415-R418 PolarHBondContact O-N 3.17Å; R418-H420 PolarHBondContact O-N 3.36Å; R418-L421 PolarHBondContact O-N 2.92Å; R418-C422 PolarHBondContact O-N 3.49Å; R418-C422 PolarHBondContact O-SG 2.94Å; R418-C422 VanDerWaalsContact O-SG 3.34Å
419Q98.4Very high98Very high118 Ų11860.1 Ų60.155%0.55130%0.295SS*.Hα-helixtrans-57.5-49.4179.3178.7-176.9-11.300112E415 M416 I417 C422 Q423E415-Q419 WeakPolarHBondContact O-CB 3.33Å; E415-Q419 PolarHBondContact O-N 3.35Å; M416-Q419 PolarHBondContact O-N 2.96Å; I417-Q419 VanDerWaalsContact C-N 3.29Å; I417-Q419 PolarHBondContact O-N 2.95Å; Q419-C422 WeakPolarHBondContact O-CB 3.38Å; Q419-C422 PolarHBondContact O-N 3.15Å; Q419-Q423 PolarHBondContact O-N 3.31Å
420H98.6Very high97.7Very high29 Ų2963.6 Ų63.613%0.13431%0.311CS..Hα-helixtrans-77.5-24.1-176.5-64.586000112.8E297 P301 F302 M416 I417 R418 Q423 Y424E297-H420 PolarHBondContact O-CD2 3.06Å; P301-H420 VanDerWaalsContact CB-CD2 3.43Å; P301-H420 WeakPolarHBondContact CB-CD2 3.45Å; P301-H420 WeakPolarHBondContact CB-NE2 3.28Å; F302-H420 HydrophobicContact CD1-CB 4.32Å; F302-H420 HydrophobicContact CE1-CB 3.54Å; F302-H420 HydrophobicContact CZ-CB 3.89Å; M416-H420 PolarHBondContact O-N 3.39Å; M416-H420 VanDerWaalsContact O-N 3.15Å; M416-H420 PolarHBondContact O-ND1 3.29Å; M416-H420 PolarHBondContact SD-ND1 3.35Å; M416-H420 VanDerWaalsContact SD-ND1 3.44Å; I417-H420 PolarHBondContact O-N 3.26Å; R418-H420 PolarHBondContact O-N 3.36Å; H420-Q423 WeakPolarHBondContact O-CB 3.3Å; H420-Q423 PolarHBondContact O-N 3.14Å; H420-Y424 PolarHBondContact O-N 3.38Å
421L98.4Very high97.4Very high78 Ų7863 Ų6341%0.40831%0.309SS..Hα-helixtrans-68.8-37.7166.8-68.8179.1000111.7F302 I417 R418 Q423 Y424 T425F302-L421 HydrophobicContact CZ-CD2 4.29Å; F302-L421 HydrophobicContact CZ-CG 4.37Å; I417-L421 HydrophobicContact CG2-CD1 3.77Å; I417-L421 HydrophobicContact CG2-CG 4.2Å; I417-L421 WeakPolarHBondContact O-CG 3.49Å; I417-L421 PolarHBondContact O-N 3.01Å; R418-L421 PolarHBondContact O-N 2.92Å; L421-Q423 VanDerWaalsContact C-N 3.32Å; L421-Y424 WeakPolarHBondContact O-CB 3.49Å; L421-Y424 PolarHBondContact O-N 2.94Å; L421-T425 PolarHBondContact O-N 2.96Å; L421-T425 VanDerWaalsContact O-N 3.11Å
422C98Very high97.1Very high57 Ų5763.1 Ų63.139%0.38531%0.307SS..Hα-helixtrans-61.4-43.3168.9-69.40000110.8R418 Q419 Y424 T425 T426R418-C422 PolarHBondContact O-N 3.49Å; R418-C422 PolarHBondContact O-SG 2.94Å; R418-C422 VanDerWaalsContact O-SG 3.34Å; Q419-C422 WeakPolarHBondContact O-CB 3.38Å; Q419-C422 PolarHBondContact O-N 3.15Å; C422-Y424 VanDerWaalsContact C-N 3.34Å; C422-Y424 PolarHBondContact O-N 3.38Å; C422-T425 PolarHBondContact O-N 3.33Å; C422-T425 VanDerWaalsContact O-N 3.09Å; C422-T425 PolarHBondContact O-OG1 3.3Å; C422-T426 PolarHBondContact O-N 3.41Å; C422-T426 PolarHBondContact O-OG1 3.32Å
423Q98.3Very high96.9Very high62 Ų6266.1 Ų66.129%0.2932%0.323SS..Hα-helixtrans-58.3-44.6175.4-17060.822.200111.9E297 V298 Q419 H420 L421 T425 T426 L427E297-Q423 HydrophobicContact CB-CG 4.19Å; E297-Q423 PolarHBondContact OE2-NE2 2.89Å; V298-Q423 HydrophobicContact CG2-CB 4.48Å; V298-Q423 HydrophobicContact CG2-CG 4.38Å; Q419-Q423 PolarHBondContact O-N 3.31Å; H420-Q423 WeakPolarHBondContact O-CB 3.3Å; H420-Q423 PolarHBondContact O-N 3.14Å; L421-Q423 VanDerWaalsContact C-N 3.32Å; Q423-T425 VanDerWaalsContact C-N 3.3Å; Q423-T425 PolarHBondContact O-N 3.1Å; Q423-T426 PolarHBondContact O-N 3.16Å; Q423-L427 HydrophobicContact CG-CD1 4.27Å; Q423-L427 HydrophobicContact CG-CG 4.42Å; Q423-L427 VanDerWaalsContact O-CG 3.32Å; Q423-L427 WeakPolarHBondContact O-CG 3.47Å; Q423-L427 PolarHBondContact O-N 2.94Å
424Y98.7Very high96.4Very high41 Ų4170 Ų7016%0.16134%0.34CS..Hα-helixtrans-53.2-47.9172.8171.4-89.8000111.7I239 R242 L294 H420 L421 C422 L427 R428I239-Y424 HydrophobicContact CD1-CD2 3.95Å; I239-Y424 HydrophobicContact CD1-CE2 4.25Å; R242-Y424 PolarHBondContact NH1-OH 3.41Å; L294-Y424 HydrophobicContact CD1-CE2 4.46Å; L294-Y424 HydrophobicContact CD2-CD2 3.48Å; L294-Y424 VanDerWaalsContact CD2-CD2 3.48Å; L294-Y424 HydrophobicContact CD2-CE2 3.87Å; H420-Y424 PolarHBondContact O-N 3.38Å; L421-Y424 WeakPolarHBondContact O-CB 3.49Å; L421-Y424 PolarHBondContact O-N 2.94Å; C422-Y424 VanDerWaalsContact C-N 3.34Å; C422-Y424 PolarHBondContact O-N 3.38Å; Y424-L427 PolarHBondContact O-N 3.31Å; Y424-R428 HydrophobicContact CD1-CG 4.32Å; Y424-R428 HydrophobicContact CE1-CG 3.81Å; Y424-R428 HydrophobicContact CE2-CG 4.25Å; Y424-R428 WeakPolarHBondContact O-CG 3.36Å; Y424-R428 PolarHBondContact O-N 3.41Å; Y424-R428 PolarHBondContact OH-NH1 3.36Å
425T97.9Very high96.1Very high65 Ų6568.1 Ų68.140%0.39933%0.328SS..Hα-helixtrans-66.5-3917957.60000112.5L421 C422 Q423 R428 H429L421-T425 PolarHBondContact O-N 2.96Å; L421-T425 VanDerWaalsContact O-N 3.11Å; C422-T425 PolarHBondContact O-N 3.33Å; C422-T425 VanDerWaalsContact O-N 3.09Å; C422-T425 PolarHBondContact O-OG1 3.3Å; Q423-T425 VanDerWaalsContact C-N 3.3Å; Q423-T425 PolarHBondContact O-N 3.1Å; T425-R428 WeakPolarHBondContact O-CB 3.46Å; T425-R428 PolarHBondContact O-N 3.43Å; T425-H429 PolarHBondContact O-N 2.81Å; T425-H429 VanDerWaalsContact O-N 3.08Å; T425-H429 PolarHBondContact O-ND1 3.4Å
426T96.4Very high95.8Very high57 Ų5769.8 Ų69.835%0.3534%0.336SS..Hα-helixtrans-60.3-50.4175.9-59.80000110.8C422 Q423 R428 H429 E430C422-T426 PolarHBondContact O-N 3.41Å; C422-T426 PolarHBondContact O-OG1 3.32Å; Q423-T426 PolarHBondContact O-N 3.16Å; T426-R428 VanDerWaalsContact C-N 3.26Å; T426-R428 PolarHBondContact O-N 3.26Å; T426-H429 PolarHBondContact O-N 3.36Å; T426-E430 HydrophobicContact CG2-CG 4.48Å; T426-E430 WeakPolarHBondContact CG2-OE1 3.46Å; T426-E430 WeakPolarHBondContact O-CG 3.44Å; T426-E430 PolarHBondContact O-N 2.9Å
427L96.8Very high95.6Very high1 Ų171.4 Ų71.41%0.00535%0.349CS..Hα-helixtrans-57.9-40.4177.9-68.8176.9000111.8F290 K293 L294 E297 V298 Q423 Y424 E430 T431F290-L427 HydrophobicContact CD2-CB 4.2Å; F290-L427 HydrophobicContact CE2-CB 3.83Å; K293-L427 HydrophobicContact CB-CD1 4.03Å; K293-L427 HydrophobicContact CB-CD2 4.05Å; K293-L427 HydrophobicContact CD-CD2 3.56Å; K293-L427 HydrophobicContact CG-CD2 4.45Å; L294-L427 HydrophobicContact CD2-CD1 4.3Å; E297-L427 HydrophobicContact CB-CD1 4.28Å; V298-L427 HydrophobicContact CG2-CD1 4.09Å; Q423-L427 HydrophobicContact CG-CD1 4.27Å; Q423-L427 HydrophobicContact CG-CG 4.42Å; Q423-L427 VanDerWaalsContact O-CG 3.32Å; Q423-L427 WeakPolarHBondContact O-CG 3.47Å; Q423-L427 PolarHBondContact O-N 2.94Å; Y424-L427 PolarHBondContact O-N 3.31Å; L427-E430 PolarHBondContact O-N 2.89Å; L427-T431 VanDerWaalsContact O-CB 3.31Å; L427-T431 WeakPolarHBondContact O-CB 3.29Å; L427-T431 PolarHBondContact O-N 3.28Å; L427-T431 PolarHBondContact O-OG1 3.4Å
428R97.4Very high95.5Very high71 Ų7171.3 Ų71.327%0.26835%0.349SS..Hα-helixtrans-60-50.2175.4-77.9-64-51.8-71.6-6.6112.6F290 Y424 T425 T426 T431 D432F290-R428 HydrophobicContact CE2-CG 4.22Å; F290-R428 HydrophobicContact CZ-CG 3.91Å; Y424-R428 HydrophobicContact CD1-CG 4.32Å; Y424-R428 HydrophobicContact CE1-CG 3.81Å; Y424-R428 HydrophobicContact CE2-CG 4.25Å; Y424-R428 WeakPolarHBondContact O-CG 3.36Å; Y424-R428 PolarHBondContact O-N 3.41Å; Y424-R428 PolarHBondContact OH-NH1 3.36Å; T425-R428 WeakPolarHBondContact O-CB 3.46Å; T425-R428 PolarHBondContact O-N 3.43Å; T426-R428 VanDerWaalsContact C-N 3.26Å; T426-R428 PolarHBondContact O-N 3.26Å; R428-T431 PolarHBondContact O-N 3.33Å; R428-D432 IonicContact NH2-OD2 3.62Å; R428-D432 VanDerWaalsContact O-CG 3.22Å; R428-D432 PolarHBondContact O-N 3.08Å
429H95.1Very high95.5Very high130 Ų13066.8 Ų66.860%0.60234%0.335SS*.Hα-helixtrans-63.1-43.2179.1-66.5102.4000111.9T425 T426 D432 M433T425-H429 PolarHBondContact O-N 2.81Å; T425-H429 VanDerWaalsContact O-N 3.08Å; T425-H429 PolarHBondContact O-ND1 3.4Å; T426-H429 PolarHBondContact O-N 3.36Å; H429-D432 PolarHBondContact O-N 3.14Å; H429-M433 WeakPolarHBondContact O-CG 3.07Å; H429-M433 PolarHBondContact O-N 3.36Å; H429-M433 VanDerWaalsContact O-N 3.09Å
430E91.6Very high95.4Very high78 Ų7866.3 Ų66.336%0.36433%0.333SS..Hα-helixtrans-60.8-45.6176.5-72.6178.7-172.300111.7K293 T426 L427 M433 F434K293-E430 IonicContact NZ-OE2 2.63Å; T426-E430 HydrophobicContact CG2-CG 4.48Å; T426-E430 WeakPolarHBondContact CG2-OE1 3.46Å; T426-E430 WeakPolarHBondContact O-CG 3.44Å; T426-E430 PolarHBondContact O-N 2.9Å; L427-E430 PolarHBondContact O-N 2.89Å; E430-M433 WeakPolarHBondContact O-CB 3.49Å; E430-M433 PolarHBondContact O-N 2.94Å; E430-F434 HydrophobicContact CB-CD2 4.47Å; E430-F434 HydrophobicContact CB-CE2 4.15Å; E430-F434 WeakPolarHBondContact O-CD2 3.42Å; E430-F434 WeakPolarHBondContact O-CG 3.27Å; E430-F434 PolarHBondContact O-N 3.08Å
431T92.2Very high95.3Very high9 Ų967.3 Ų67.36%0.05534%0.342CS..Hα-helixtrans-61.8-44.5178.1-68.50000112.1V286 F290 L427 R428 M433 F434 N435V286-T431 HydrophobicContact CG1-CG2 3.96Å; F290-T431 HydrophobicContact CB-CG2 3.74Å; F290-T431 WeakPolarHBondContact CB-OG1 3.29Å; F290-T431 HydrophobicContact CD1-CG2 4.28Å; F290-T431 HydrophobicContact CD2-CG2 4.3Å; F290-T431 WeakPolarHBondContact CD2-OG1 3.44Å; F290-T431 HydrophobicContact CG-CG2 3.84Å; F290-T431 WeakPolarHBondContact CG-OG1 3.33Å; L427-T431 VanDerWaalsContact O-CB 3.31Å; L427-T431 WeakPolarHBondContact O-CB 3.29Å; L427-T431 PolarHBondContact O-N 3.28Å; L427-T431 PolarHBondContact O-OG1 3.4Å; R428-T431 PolarHBondContact O-N 3.33Å; T431-M433 VanDerWaalsContact C-N 3.28Å; T431-M433 PolarHBondContact O-N 2.98Å; T431-F434 PolarHBondContact O-N 2.85Å; T431-N435 WeakPolarHBondContact O-CB 3.46Å; T431-N435 PolarHBondContact O-N 2.63Å
432D92.6Very high95.3Very high76 Ų7663.9 Ų63.941%0.40632%0.324SS..Hα-helixtrans-62.1-39.1178.7-66.5-16.9000110.6R428 H429 N435 Q436R428-D432 IonicContact NH2-OD2 3.62Å; R428-D432 VanDerWaalsContact O-CG 3.22Å; R428-D432 PolarHBondContact O-N 3.08Å; H429-D432 PolarHBondContact O-N 3.14Å; D432-N435 PolarHBondContact O-N 3.08Å; D432-Q436 PolarHBondContact O-N 3.25Å
433M93.4Very high95.3Very high124 Ų12465.2 Ų65.261%0.61133%0.327SS*.Hα-helixtrans-64.3-45.7173.8-71.5-63.4-54.800112.7H429 E430 T431 N435 Q436 S437H429-M433 WeakPolarHBondContact O-CG 3.07Å; H429-M433 PolarHBondContact O-N 3.36Å; H429-M433 VanDerWaalsContact O-N 3.09Å; E430-M433 WeakPolarHBondContact O-CB 3.49Å; E430-M433 PolarHBondContact O-N 2.94Å; T431-M433 VanDerWaalsContact C-N 3.28Å; T431-M433 PolarHBondContact O-N 2.98Å; M433-N435 VanDerWaalsContact C-N 3.33Å; M433-N435 PolarHBondContact O-N 2.92Å; M433-Q436 PolarHBondContact O-N 2.87Å; M433-S437 PolarHBondContact O-N 2.84Å; M433-S437 VanDerWaalsContact O-N 3.16Å
434F88.6Confident95.3Very high108 Ų10868.3 Ų68.347%0.47434%0.34SS..Hα-helixtrans-64.2-40.1177-70.5-54.3000111.7V286 E430 T431 Q436 S437 T438V286-F434 HydrophobicContact CG1-CB 3.93Å; V286-F434 HydrophobicContact CG2-CB 4.17Å; E430-F434 HydrophobicContact CB-CD2 4.47Å; E430-F434 HydrophobicContact CB-CE2 4.15Å; E430-F434 WeakPolarHBondContact O-CD2 3.42Å; E430-F434 WeakPolarHBondContact O-CG 3.27Å; E430-F434 PolarHBondContact O-N 3.08Å; T431-F434 PolarHBondContact O-N 2.85Å; F434-Q436 VanDerWaalsContact C-N 3.33Å; F434-Q436 PolarHBondContact O-N 3.15Å; F434-S437 PolarHBondContact O-N 2.98Å; F434-S437 PolarHBondContact O-OG 3.18Å; F434-T438 PolarHBondContact O-N 3.23Å
435N92.1Very high95.3Very high34 Ų3468.7 Ų68.718%0.18235%0.345CS..Hα-helixtrans-62.3-42.8177.7-158.168.9000111E283 V286 H287 T431 D432 M433 S437 T438E283-N435 WeakPolarHBondContact CG-OD1 3.38Å; V286-N435 HydrophobicContact CG1-CB 4.23Å; H287-N435 PolarHBondContact NE2-OD1 3.24Å; T431-N435 WeakPolarHBondContact O-CB 3.46Å; T431-N435 PolarHBondContact O-N 2.63Å; D432-N435 PolarHBondContact O-N 3.08Å; M433-N435 VanDerWaalsContact C-N 3.33Å; M433-N435 PolarHBondContact O-N 2.92Å; N435-S437 VanDerWaalsContact C-N 3.3Å; N435-S437 PolarHBondContact O-N 3.33Å; N435-T438 WeakPolarHBondContact O-CB 3.4Å; N435-T438 WeakPolarHBondContact O-CG2 3.42Å; N435-T438 PolarHBondContact O-N 3.07Å; N435-T438 PolarHBondContact O-OG1 3.2Å
436Q92.3Very high95.3Very high141 Ų14170 Ų7066%0.65935%0.348SS*.Hα-helixtrans-59.7-39.8175.4-171.9176.110.600112.3D432 M433 F434 T438 M439D432-Q436 PolarHBondContact O-N 3.25Å; M433-Q436 PolarHBondContact O-N 2.87Å; F434-Q436 VanDerWaalsContact C-N 3.33Å; F434-Q436 PolarHBondContact O-N 3.15Å; Q436-T438 PolarHBondContact O-N 3.16Å; Q436-T438 VanDerWaalsContact O-N 3.17Å; Q436-M439 PolarHBondContact O-N 3.38Å
437S93.8Very high95.4Very high50 Ų5075 Ų7535%0.3537%0.368SS..Hα-helixtrans-65.2-17.8-179.273.50000114.3M433 F434 N435 M439 E440M433-S437 PolarHBondContact O-N 2.84Å; M433-S437 VanDerWaalsContact O-N 3.16Å; F434-S437 PolarHBondContact O-N 2.98Å; F434-S437 PolarHBondContact O-OG 3.18Å; N435-S437 VanDerWaalsContact C-N 3.3Å; N435-S437 PolarHBondContact O-N 3.33Å; S437-M439 PolarHBondContact O-N 3.29Å; S437-E440 PolarHBondContact O-N 2.96Å
438T96.6Very high95.4Very high14 Ų1479 Ų799%0.08640%0.395CS..THydrogen-bonded Turntrans-66.8-18.7177.967.80000113.7S279 D282 E283 V286 F434 N435 Q436 P441S279-T438 WeakPolarHBondContact CB-O 3.48Å; D282-T438 HydrophobicContact CB-CG2 4.15Å; E283-T438 HydrophobicContact CG-CG2 4.15Å; E283-T438 WeakPolarHBondContact CG-OG1 3.45Å; V286-T438 HydrophobicContact CG2-CG2 4.22Å; F434-T438 PolarHBondContact O-N 3.23Å; N435-T438 WeakPolarHBondContact O-CB 3.4Å; N435-T438 WeakPolarHBondContact O-CG2 3.42Å; N435-T438 PolarHBondContact O-N 3.07Å; N435-T438 PolarHBondContact O-OG1 3.2Å; Q436-T438 PolarHBondContact O-N 3.16Å; Q436-T438 VanDerWaalsContact O-N 3.17Å; T438-P441 WeakPolarHBondContact O-CD 3.47Å
439M97.4Very high95.4Very high60 Ų6077.9 Ų77.930%0.29640%0.396SS..THydrogen-bonded Turntrans-82.6-20.5178.8-65.4-62.4103.500113.3S279 E283 Q436 S437 P441 V442 D443S279-M439 VanDerWaalsContact OG-CE 3.3Å; S279-M439 WeakPolarHBondContact OG-CE 3.44Å; E283-M439 HydrophobicContact CG-CE 4.46Å; E283-M439 WeakPolarHBondContact OE1-CE 3.44Å; Q436-M439 PolarHBondContact O-N 3.38Å; S437-M439 PolarHBondContact O-N 3.29Å; M439-P441 VanDerWaalsContact C-CD 3.48Å; M439-V442 WeakPolarHBondContact O-CA 3.43Å; M439-V442 WeakPolarHBondContact O-CB 3.42Å; M439-V442 PolarHBondContact O-N 3.48Å; M439-D443 PolarHBondContact O-N 3.45Å
440E96.4Very high95.6Very high107 Ų10774.8 Ų74.850%0.538%0.384SS..Hα-helixtrans-56.7-40-175.8-62.3179.3-170.400114.2S437 V442 K444S437-E440 PolarHBondContact O-N 2.96Å; E440-V442 VanDerWaalsContact C-N 3.31Å; E440-K444 VanDerWaalsContact O-CG 3.27Å; E440-K444 WeakPolarHBondContact O-CG 3.06Å; E440-K444 PolarHBondContact O-N 3.39Å; E440-K444 VanDerWaalsContact O-N 3.15Å
441P97.9Very high95.9Very high50 Ų5075.5 Ų75.533%0.32540%0.395SS..Hα-helixtrans-67.1-32.3175-20.735.1000113Q275 T438 M439 L445Q275-P441 HydrophobicContact CG-CB 4.14Å; T438-P441 WeakPolarHBondContact O-CD 3.47Å; M439-P441 VanDerWaalsContact C-CD 3.48Å; P441-L445 PolarHBondContact O-N 2.99Å
442V98.4Very high96.2Very high6 Ų679.4 Ų79.44%0.03642%0.415CS..Hα-helixtrans-67.5-50.3177.3-174.30000109.5Q275 L276 M439 E440 K444 L445 L446Q275-V442 HydrophobicContact CG-CG2 4.24Å; L276-V442 HydrophobicContact CB-CG1 4.16Å; L276-V442 HydrophobicContact CD1-CG1 4.14Å; L276-V442 HydrophobicContact CD1-CG2 4.42Å; M439-V442 WeakPolarHBondContact O-CA 3.43Å; M439-V442 WeakPolarHBondContact O-CB 3.42Å; M439-V442 PolarHBondContact O-N 3.48Å; E440-V442 VanDerWaalsContact C-N 3.31Å; V442-K444 VanDerWaalsContact C-N 3.25Å; V442-K444 PolarHBondContact O-N 2.9Å; V442-L445 PolarHBondContact O-N 3.32Å; V442-L445 VanDerWaalsContact O-N 3.08Å; V442-L446 HydrophobicContact CG1-CD1 3.91Å; V442-L446 HydrophobicContact CG1-CG 4.26Å; V442-L446 WeakPolarHBondContact O-CG 3.44Å; V442-L446 PolarHBondContact O-N 3.24Å
443D98.1Very high96.5Very high85 Ų8581.1 Ų81.146%0.45542%0.419SS..Hα-helixtrans-56.9-40.8178.4-70.5-26.4000111.8M439 L445 L446 Q447M439-D443 PolarHBondContact O-N 3.45Å; D443-L445 PolarHBondContact O-N 3.32Å; D443-L446 PolarHBondContact O-N 3.23Å; D443-Q447 VanDerWaalsContact O-CG 3.29Å; D443-Q447 WeakPolarHBondContact O-CG 3.4Å; D443-Q447 PolarHBondContact O-N 3.22Å
444K97.9Very high96.7Very high127 Ų12776.5 Ų76.555%0.55240%0.396SS*.Hα-helixtrans-61.6-42.2176.4-75.2169.4-172.5166.60112.7E440 V442 C448E440-K444 VanDerWaalsContact O-CG 3.27Å; E440-K444 WeakPolarHBondContact O-CG 3.06Å; E440-K444 PolarHBondContact O-N 3.39Å; E440-K444 VanDerWaalsContact O-N 3.15Å; V442-K444 VanDerWaalsContact C-N 3.25Å; V442-K444 PolarHBondContact O-N 2.9Å; K444-C448 PolarHBondContact O-SG 3.12Å; K444-C448 VanDerWaalsContact O-SG 3.36Å
445L98.3Very high97.2Very high50 Ų5078.3 Ų78.326%0.26240%0.4SS..Hα-helixtrans-74.5-36.5178-72.5-179.9000112.1A272 Q275 P441 V442 D443 Q447 C448 V449A272-L445 HydrophobicContact CB-CB 4.02Å; Q275-L445 HydrophobicContact CB-CD1 3.34Å; Q275-L445 HydrophobicContact CG-CD1 3.64Å; P441-L445 PolarHBondContact O-N 2.99Å; V442-L445 PolarHBondContact O-N 3.32Å; V442-L445 VanDerWaalsContact O-N 3.08Å; D443-L445 PolarHBondContact O-N 3.32Å; L445-Q447 VanDerWaalsContact C-N 3.25Å; L445-Q447 PolarHBondContact O-N 3.12Å; L445-C448 CarbonylContact O-C 3.56Å; L445-C448 WeakPolarHBondContact O-CA 3.4Å; L445-C448 WeakPolarHBondContact O-CB 3.26Å; L445-C448 PolarHBondContact O-N 2.95Å; L445-V449 PolarHBondContact O-N 3.15Å
446L98.3Very high97.5Very high92 Ų9281.7 Ų81.748%0.48242%0.415SS..Hα-helixtrans-60.1-36.4175-73.2173.9000112.1A272 V442 D443 C448 V449A272-L446 HydrophobicContact CB-CD2 4.02Å; V442-L446 HydrophobicContact CG1-CD1 3.91Å; V442-L446 HydrophobicContact CG1-CG 4.26Å; V442-L446 WeakPolarHBondContact O-CG 3.44Å; V442-L446 PolarHBondContact O-N 3.24Å; D443-L446 PolarHBondContact O-N 3.23Å; L446-C448 PolarHBondContact O-N 3.26Å; L446-V449 PolarHBondContact O-N 2.85Å
447Q97.9Very high97.7Very high163 Ų16377.2 Ų77.276%0.76240%0.397SS*.THydrogen-bonded Turntrans-66.5-22.4173-71.5171.113.300113.6D443 L445D443-Q447 VanDerWaalsContact O-CG 3.29Å; D443-Q447 WeakPolarHBondContact O-CG 3.4Å; D443-Q447 PolarHBondContact O-N 3.22Å; L445-Q447 VanDerWaalsContact C-N 3.25Å; L445-Q447 PolarHBondContact O-N 3.12Å
448C96.7Very high97.9Very high84 Ų8481.6 Ų81.657%0.56841%0.406SS*.THydrogen-bonded Turntrans-94.4-1.5-179.9-680000113.5K444 L445 L446 D450K444-C448 PolarHBondContact O-SG 3.12Å; K444-C448 VanDerWaalsContact O-SG 3.36Å; L445-C448 CarbonylContact O-C 3.56Å; L445-C448 WeakPolarHBondContact O-CA 3.4Å; L445-C448 WeakPolarHBondContact O-CB 3.26Å; L445-C448 PolarHBondContact O-N 2.95Å; L446-C448 PolarHBondContact O-N 3.26Å; C448-D450 PolarHBondContact O-N 2.8Å
449V98.5Very high98Very high47 Ų4784.3 Ų84.329%0.28542%0.422SS..  trans-66.3121.4178.6175.20000109.8L269 A272 L445 L446L269-V449 HydrophobicContact CB-CG1 4.38Å; L269-V449 HydrophobicContact CD1-CG1 4.42Å; A272-V449 HydrophobicContact CB-CG2 3.98Å; L445-V449 PolarHBondContact O-N 3.15Å; L446-V449 PolarHBondContact O-N 2.85Å
450D98.3Very high98Very high66 Ų6689.2 Ų89.235%0.35344%0.438SS..  trans-127.8102.2-178.6-177.2-10.5000110.9T268 C448 I452 K453 D454T268-D450 PolarHBondContact OG1-N 2.82Å; C448-D450 PolarHBondContact O-N 2.8Å; D450-I452 PolarHBondContact O-N 3.3Å; D450-I452 WeakPolarHBondContact OD1-CA 3.47Å; D450-I452 WeakPolarHBondContact OD1-CB 3.28Å; D450-I452 PolarHBondContact OD1-N 3.38Å; D450-K453 HydrophobicContact CB-CB 3.88Å; D450-K453 PolarHBondContact O-N 3.15Å; D450-K453 PolarHBondContact OD1-N 2.98Å; D450-D454 PolarHBondContact O-N 2.99Å
451P98.5Very high98Very high93 Ų9390.4 Ų90.460%0.60444%0.443SS*.Hα-helixtrans-61.7-26.5178.9-24.134.3000114.3R455P451-R455 VanDerWaalsContact O-CB 3.28Å; P451-R455 WeakPolarHBondContact O-CB 3.34Å; P451-R455 PolarHBondContact O-N 3.02Å; P451-R455 VanDerWaalsContact O-N 3.12Å
452I98.4Very high98Very high90 Ų9091.9 Ų91.946%0.46245%0.448SS..Hα-helixtrans-72.1-49.8178.6-63.1177.3000108.8D450 D454 R455 E456D450-I452 PolarHBondContact O-N 3.3Å; D450-I452 WeakPolarHBondContact OD1-CA 3.47Å; D450-I452 WeakPolarHBondContact OD1-CB 3.28Å; D450-I452 PolarHBondContact OD1-N 3.38Å; I452-D454 PolarHBondContact O-N 3.31Å; I452-R455 PolarHBondContact O-N 3.49Å; I452-E456 WeakPolarHBondContact O-CG 3.37Å; I452-E456 PolarHBondContact O-N 3.36Å
453K98Very high97.9Very high113 Ų11397 Ų9749%0.49147%0.47SS..Hα-helixtrans-60.3-45.1177.9-173.4-179.7175.7-170.40111.6T268 D450 R455 E456 V457T268-K453 HydrophobicContact CG2-CD 4.34Å; D450-K453 HydrophobicContact CB-CB 3.88Å; D450-K453 PolarHBondContact O-N 3.15Å; D450-K453 PolarHBondContact OD1-N 2.98Å; K453-R455 PolarHBondContact O-N 3.34Å; K453-E456 PolarHBondContact O-N 3.49Å; K453-V457 WeakPolarHBondContact O-CG2 3.45Å; K453-V457 PolarHBondContact O-N 3.06Å
454D98.4Very high97.9Very high27 Ų27100.2 Ų100.214%0.14449%0.493CS..Hα-helixtrans-62.1-44.8178.9-73.95.2000111.3T268 L269 D450 I452 E456 V457 W458T268-D454 WeakPolarHBondContact CB-OD1 3.44Å; T268-D454 WeakPolarHBondContact CG2-OD1 3.37Å; T268-D454 VanDerWaalsContact N-CG 3.32Å; T268-D454 PolarHBondContact N-OD1 3.35Å; T268-D454 PolarHBondContact N-OD2 3.23Å; T268-D454 VanDerWaalsContact N-OD2 3.15Å; T268-D454 PolarHBondContact OG1-OD1 3.44Å; T268-D454 PolarHBondContact OG1-OD2 2.93Å; L269-D454 PolarHBondContact N-OD2 3.41Å; L269-D454 VanDerWaalsContact N-OD2 3.12Å; D450-D454 PolarHBondContact O-N 2.99Å; I452-D454 PolarHBondContact O-N 3.31Å; D454-E456 VanDerWaalsContact C-N 3.35Å; D454-E456 PolarHBondContact O-N 2.97Å; D454-V457 PolarHBondContact O-N 3.48Å; D454-W458 PolarHBondContact O-N 3.31Å
455R98.3Very high97.8Very high146 Ų14696.8 Ų96.855%0.55149%0.494SS*.Hα-helixtrans-59.5-44.4174.1179.9-17864.8-129.4-2.2112P451 I452 K453 W458 V459P451-R455 VanDerWaalsContact O-CB 3.28Å; P451-R455 WeakPolarHBondContact O-CB 3.34Å; P451-R455 PolarHBondContact O-N 3.02Å; P451-R455 VanDerWaalsContact O-N 3.12Å; I452-R455 PolarHBondContact O-N 3.49Å; K453-R455 PolarHBondContact O-N 3.34Å; R455-W458 PolarHBondContact O-N 2.99Å; R455-V459 HydrophobicContact CG-CG2 4.22Å; R455-V459 WeakPolarHBondContact O-CB 3.32Å; R455-V459 VanDerWaalsContact O-CG2 3.29Å; R455-V459 WeakPolarHBondContact O-CG2 3.43Å; R455-V459 PolarHBondContact O-N 2.95Å
456E98.1Very high97.6Very high104 Ų104101.8 Ų101.849%0.48652%0.516SS..Hα-helixtrans-63.1-42.1179.9-77.1-178.8-17700112.4I452 K453 D454 R460I452-E456 WeakPolarHBondContact O-CG 3.37Å; I452-E456 PolarHBondContact O-N 3.36Å; K453-E456 PolarHBondContact O-N 3.49Å; D454-E456 VanDerWaalsContact C-N 3.35Å; D454-E456 PolarHBondContact O-N 2.97Å; E456-R460 VanDerWaalsContact O-CB 3.22Å; E456-R460 WeakPolarHBondContact O-CB 3.22Å; E456-R460 PolarHBondContact O-N 3.01Å
457V97.5Very high97.5Very high48 Ų48105 Ų10529%0.29153%0.532SS..Hα-helixtrans-61-51.8174.9171.70000109.7K453 D454 V459 R460 E461K453-V457 WeakPolarHBondContact O-CG2 3.45Å; K453-V457 PolarHBondContact O-N 3.06Å; D454-V457 PolarHBondContact O-N 3.48Å; V457-V459 PolarHBondContact O-N 3.43Å; V457-R460 WeakPolarHBondContact O-CB 3.48Å; V457-R460 PolarHBondContact O-N 3.13Å; V457-E461 WeakPolarHBondContact O-CG 3.29Å; V457-E461 PolarHBondContact O-N 3.44Å; V457-E461 VanDerWaalsContact O-N 3.13Å
458W98.1Very high97.4Very high142 Ų142107.5 Ų107.554%0.53853%0.534SS..Hα-helixtrans-61.9-46.1-177.9-173.987.3000112.8D454 R455 R460 E461 N462D454-W458 PolarHBondContact O-N 3.31Å; R455-W458 PolarHBondContact O-N 2.99Å; W458-R460 VanDerWaalsContact C-N 3.31Å; W458-R460 PolarHBondContact O-N 2.91Å; W458-E461 PolarHBondContact O-N 2.92Å; W458-N462 HydrophobicContact CD2-CB 4.29Å; W458-N462 HydrophobicContact CE3-CB 4.44Å; W458-N462 HydrophobicContact CH2-CB 4.19Å; W458-N462 HydrophobicContact CZ2-CB 4.02Å; W458-N462 HydrophobicContact CZ3-CB 4.39Å; W458-N462 PolarHBondContact NE1-ND2 2.84Å; W458-N462 WeakPolarHBondContact O-CB 3.42Å; W458-N462 PolarHBondContact O-N 3.27Å; W458-N462 PolarHBondContact O-ND2 3.42Å
459V98.1Very high97.4Very high70 Ų70109.8 Ų109.842%0.42455%0.548SS..Hα-helixtrans-62.9-39.1177.3170.90000110.9R455 V457 E461 N462 K463R455-V459 HydrophobicContact CG-CG2 4.22Å; R455-V459 WeakPolarHBondContact O-CB 3.32Å; R455-V459 VanDerWaalsContact O-CG2 3.29Å; R455-V459 WeakPolarHBondContact O-CG2 3.43Å; R455-V459 PolarHBondContact O-N 2.95Å; V457-V459 PolarHBondContact O-N 3.43Å; V459-E461 VanDerWaalsContact C-N 3.27Å; V459-E461 PolarHBondContact O-N 3.19Å; V459-N462 PolarHBondContact O-N 3.44Å; V459-K463 WeakPolarHBondContact O-CA 3.2Å; V459-K463 WeakPolarHBondContact O-CB 3.47Å; V459-K463 PolarHBondContact O-N 3.39Å
460R97.4Very high97.2Very high164 Ų164113.9 Ų113.962%0.61957%0.573SS**Hα-helixtrans-61.1-39.1178.5-175-174.4-56.7161.45.6111.9E456 V457 W458E456-R460 VanDerWaalsContact O-CB 3.22Å; E456-R460 WeakPolarHBondContact O-CB 3.22Å; E456-R460 PolarHBondContact O-N 3.01Å; V457-R460 WeakPolarHBondContact O-CB 3.48Å; V457-R460 PolarHBondContact O-N 3.13Å; W458-R460 VanDerWaalsContact C-N 3.31Å; W458-R460 PolarHBondContact O-N 2.91Å
461E97Very high97.1Very high131 Ų131118.2 Ų118.261%0.61260%0.596SS**Hα-helixtrans-80.9-29.6-178.8-67.8176.6177.100112.9V457 W458 V459V457-E461 WeakPolarHBondContact O-CG 3.29Å; V457-E461 PolarHBondContact O-N 3.44Å; V457-E461 VanDerWaalsContact O-N 3.13Å; W458-E461 PolarHBondContact O-N 2.92Å; V459-E461 VanDerWaalsContact C-N 3.27Å; V459-E461 PolarHBondContact O-N 3.19Å
462N97.4Very high96.6Very high81 Ų81121.6 Ų121.643%0.43361%0.607SS.*Hα-helixtrans-115.22.6-170.7-65-85.5000115.1W458 V459 T464W458-N462 HydrophobicContact CD2-CB 4.29Å; W458-N462 HydrophobicContact CE3-CB 4.44Å; W458-N462 HydrophobicContact CH2-CB 4.19Å; W458-N462 HydrophobicContact CZ2-CB 4.02Å; W458-N462 HydrophobicContact CZ3-CB 4.39Å; W458-N462 PolarHBondContact NE1-ND2 2.84Å; W458-N462 WeakPolarHBondContact O-CB 3.42Å; W458-N462 PolarHBondContact O-N 3.27Å; W458-N462 PolarHBondContact O-ND2 3.42Å; V459-N462 PolarHBondContact O-N 3.44Å; N462-T464 PolarHBondContact O-N 3.38Å
463K97.4Very high96.3Very high113 Ų113126.2 Ų126.249%0.49163%0.627SS.*  trans-57.7136.817960.3-179.3-178.1179.50111.6V459 E466V459-K463 WeakPolarHBondContact O-CA 3.2Å; V459-K463 WeakPolarHBondContact O-CB 3.47Å; V459-K463 PolarHBondContact O-N 3.39Å; K463-E466 HydrophobicContact CD-CG 4.43Å; K463-E466 IonicContact NZ-OE1 2.65Å; K463-E466 PolarHBondContact NZ-OE1 2.65Å
464T97.8Very high94.9Very high153 Ų153132.4 Ų132.494%0.93966%0.663SS**  trans-101.9-4.7-179.656.20000113.6N462N462-T464 PolarHBondContact O-N 3.38Å
465G94.7Very high94.7Very high56 Ų56137.7 Ų137.758%0.57769%0.689SS**  trans164.2153.7179.400000111.3
466E94.7Very high94.6Very high155 Ų155137.3 Ų137.372%0.72470%0.696SS**SBendtrans-107.1-16.5179.1-62.5179.4178.100112.2K463K463-E466 HydrophobicContact CD-CG 4.43Å; K463-E466 IonicContact NZ-OE1 2.65Å; K463-E466 PolarHBondContact NZ-OE1 2.65Å
467I95.8Very high94.4Very high160 Ų160139.1 Ų139.182%0.82171%0.708SS**SBendtrans-88.3125.6-177.1-55.8176.3000108.4
468R96.1Very high94.2Very high214 Ų214144.5 Ų144.581%0.80873%0.733SS**PPolyproline II helixtrans-76.2143.5172.4-65.6-173.6-65.8-164.6-0.9109.9
469P96.5Very high93.9Very high132 Ų132144.6 Ų144.686%0.85775%0.745SS**PPolyproline II helixtrans-54.1146.5172.2-24.834.3000112.2
470V95.7Very high93.7Very high133 Ų133149.6 Ų149.681%0.80677%0.766SS**  trans-121.5160.1175-630000110.1
471D94.6Very high93.4Very high158 Ų158148.6 Ų148.685%0.84578%0.777SS**PPolyproline II helixtrans-68.6152.7178.1-63.9-36.8000111.7
472I89.3Confident93.1Very high163 Ų163149.9 Ų149.984%0.83679%0.789SS**PPolyproline II helixtrans-75.5133.7174.6-163168.5000110
473E91.3Very high92.8Very high188 Ų188155.7 Ų155.788%0.87982%0.819SS**PPolyproline II helixtrans-74.4147.3175.6-62.6-177.2174.700111
474I69.3Low92.3Very high243 Ų243159.5 Ų159.5100%1.24685%0.849SS**  trans-89.70-177.7-62176.3000111.4

Retrieved 474 of 474 residues in 341.1 ms (Link to these results)

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