A0A096NV36_PAPAN Loading...

Casein kinase II subunit alpha

Catalytic subunit of a constitutively active serine/threonine-protein kinase complex that phosphorylates a large number of substrates containing acidic residues C-terminal to the phosphorylated serine or threonine.

AlphaFold DB (P68399), UniProt , Accession A0A096NV36, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 391 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
1M56.8Low90Very high233 Ų23380.8 Ų80.8100%1.14845%0.453SS*.  0137.50-68.2172.7-172.500106.8
2S76.2Confident90.8Very high95 Ų9578.8 Ų78.866%0.66443%0.434SS*.  trans-56.9139.8168.741.50000108.3N262S2-N262 PolarHBondContact O-ND2 3.31Å; S2-N262 PolarHBondContact OG-ND2 3.46Å
3G86.7Confident91.4Very high52 Ų5274.5 Ų74.554%0.53641%0.411SS..  trans-64.2-177.2174.700000112.5N262G3-N262 PolarHBondContact O-ND2 2.85Å
4P92.4Very high91.8Very high61 Ų6173.3 Ų73.340%0.39640%0.404SS..PPolyproline II helixtrans-56.1142.8174.823.6-33.1000111P6 Y206 M208 Y261P4-P6 WeakPolarHBondContact O-CD 3.5Å; P4-Y206 HydrophobicContact CB-CD2 4.22Å; P4-Y206 HydrophobicContact CB-CE2 4.02Å; P4-M208 HydrophobicContact CB-CE 4.03Å; P4-M208 HydrophobicContact CG-CE 3.91Å; P4-Y261 WeakPolarHBondContact CA-O 3.32Å
5V95.3Very high92.3Very high63 Ų6370.3 Ų70.338%0.38239%0.388SS..PPolyproline II helixtrans-66.3128.6177.7178.60000108.8Y206 Y261 N262V5-Y206 WeakPolarHBondContact O-CE2 3.3Å; V5-Y206 PolarHBondContact O-OH 3.45Å; V5-Y261 PolarHBondContact N-O 2.69Å; V5-N262 HydrophobicContact CG2-CB 3.9Å
6P94.5Very high92.6Very high94 Ų9466 Ų6661%0.6136%0.364SS*.PPolyproline II helixtrans-62.4139.9176.7-23.634000113.1P4 M208P4-P6 WeakPolarHBondContact O-CD 3.5Å; P6-M208 HydrophobicContact CB-CE 4.42Å; P6-M208 HydrophobicContact CB-SD 3.91Å; P6-M208 HydrophobicContact CG-SD 4.3Å
7S95.9Very high92.9Very high6 Ų667.2 Ų67.24%0.04237%0.374CS..  trans-120.3151.8173.6-1750000110.6Y206 H309 Q310S7-Y206 WeakPolarHBondContact CB-OH 3.5Å; S7-Y206 PolarHBondContact N-OH 2.85Å; S7-Y206 VanDerWaalsContact N-OH 3.1Å; S7-H309 WeakPolarHBondContact CB-NE2 3.1Å; S7-H309 PolarHBondContact OG-NE2 3.43Å; S7-Q310 PolarHBondContact OG-NE2 3.33Å
8R97.4Very high93.1Very high129 Ų12972.2 Ų72.249%0.48739%0.394SS..  trans-133.9145.2178.1-65.3-179.770.9178.53.4109R10 T13 D14 Y182 P184 Q310R8-R10 PolarHBondContact O-N 3.13Å; R8-T13 HydrophobicContact CB-CG2 4.07Å; R8-D14 IonicContact NH2-OD1 2.73Å; R8-D14 PolarHBondContact NH2-OD1 3.44Å; R8-D14 IonicContact NH2-OD2 3.57Å; R8-Y182 WeakPolarHBondContact CA-OH 3.31Å; R8-P184 HydrophobicContact CG-CB 4.29Å; R8-Q310 PolarHBondContact O-NE2 2.95Å; R8-Q310 PolarHBondContact O-OE1 2.74Å
9A98.5Very high93.4Very high5 Ų574.2 Ų74.24%0.04140%0.395CS..  trans-54.8139.9173.300000111V11 T13 Y182 D210 Y211A9-V11 VanDerWaalsContact C-N 3.3Å; A9-V11 WeakPolarHBondContact CB-O 3.44Å; A9-T13 PolarHBondContact O-OG1 2.94Å; A9-Y182 HydrophobicContact CB-CD1 4.5Å; A9-Y182 HydrophobicContact CB-CE1 3.8Å; A9-Y182 PolarHBondContact N-OH 3.46Å; A9-D210 VanDerWaalsContact CA-OD2 3.26Å; A9-D210 WeakPolarHBondContact CA-OD2 3.48Å; A9-D210 HydrophobicContact CB-CB 3.81Å; A9-D210 PolarHBondContact N-OD2 3.14Å; A9-Y211 HydrophobicContact CB-CD2 3.58Å; A9-Y211 HydrophobicContact CB-CE2 3.5Å
10R98.4Very high93.6Very high105 Ų10574 Ų7440%0.39640%0.398SS..SBendtrans-70.3-27.1173.9-61.8-167.4-69.2107.2-4.6113.5R8 Q310 R312 E317R8-R10 PolarHBondContact O-N 3.13Å; R10-Q310 WeakPolarHBondContact CD-O 3.49Å; R10-Q310 PolarHBondContact NE-O 2.92Å; R10-R312 PolarHBondContact NH2-O 3.49Å; R10-E317 IonicContact CZ-OE1 3.39Å; R10-E317 IonicContact CZ-OE2 3.03Å; R10-E317 IonicContact NH1-OE1 3.02Å; R10-E317 PolarHBondContact NH1-OE1 3.47Å; R10-E317 IonicContact NH1-OE2 2.89Å; R10-E317 PolarHBondContact NH1-OE2 2.77Å; R10-E317 IonicContact NH2-OE1 3.12Å; R10-E317 IonicContact NH2-OE2 3.64Å; R10-E317 PolarHBondContact NH2-OE2 3.28Å
11V98.6Very high93.8Very high46 Ų4678.3 Ų78.328%0.27941%0.409SS..SBendtrans-133155.4-177.9-63.20000109.6A9 T13 Y211 T314A9-V11 VanDerWaalsContact C-N 3.3Å; A9-V11 WeakPolarHBondContact CB-O 3.44Å; V11-T13 PolarHBondContact O-N 3.26Å; V11-Y211 VanDerWaalsContact O-CE2 3.26Å; V11-Y211 WeakPolarHBondContact O-CE2 3.15Å; V11-T314 HydrophobicContact CB-CG2 4.29Å; V11-T314 HydrophobicContact CG1-CG2 3.84Å; V11-T314 HydrophobicContact CG2-CG2 3.44Å; V11-T314 VanDerWaalsContact CG2-CG2 3.44Å
12Y98.6Very high95.7Very high57 Ų5773 Ų7322%0.22438%0.381CS..SBendtrans56.415.2178.2-50-53000115.1D14 V15 D145 H148 Y211Y12-D14 VanDerWaalsContact C-N 3.31Å; Y12-D14 PolarHBondContact O-N 3.44Å; Y12-V15 HydrophobicContact CD1-CG2 4.3Å; Y12-V15 HydrophobicContact CG-CG2 4.5Å; Y12-V15 WeakPolarHBondContact O-CG2 3.46Å; Y12-V15 PolarHBondContact O-N 3.29Å; Y12-D145 WeakPolarHBondContact CE2-OD1 3.41Å; Y12-D145 PolarHBondContact OH-OD1 3.37Å; Y12-H148 WeakPolarHBondContact CB-O 3.41Å; Y12-H148 VanDerWaalsContact CD2-C 3.48Å; Y12-H148 HydrophobicContact CD2-CB 3.78Å; Y12-H148 HydrophobicContact CE2-CB 4.04Å; Y12-Y211 PolarHBondContact O-OH 2.91Å
13T98.4Very high96.7Very high22 Ų2269.5 Ų69.514%0.13535%0.354CS..THydrogen-bonded Turntrans-51-46.8-171.5-39.40000113R8 A9 V11 Y182 P184R8-T13 HydrophobicContact CB-CG2 4.07Å; A9-T13 PolarHBondContact O-OG1 2.94Å; V11-T13 PolarHBondContact O-N 3.26Å; T13-Y182 HydrophobicContact CG2-CE1 4.34Å; T13-P184 HydrophobicContact CG2-CB 4.3Å; T13-P184 HydrophobicContact CG2-CG 3.78Å; T13-P184 WeakPolarHBondContact O-CD 3.49Å; T13-P184 WeakPolarHBondContact O-CG 3.39Å
14D98.1Very high97.2Very high58 Ų5870.5 Ų70.531%0.3134%0.341SS..THydrogen-bonded Turntrans-107.116.3-171-56-51.6000112.7R8 Y12 N16 T17 H18R8-D14 IonicContact NH2-OD1 2.73Å; R8-D14 PolarHBondContact NH2-OD1 3.44Å; R8-D14 IonicContact NH2-OD2 3.57Å; Y12-D14 VanDerWaalsContact C-N 3.31Å; Y12-D14 PolarHBondContact O-N 3.44Å; D14-N16 PolarHBondContact O-N 3.49Å; D14-T17 WeakPolarHBondContact O-CB 3.39Å; D14-T17 PolarHBondContact O-N 3.12Å; D14-H18 VanDerWaalsContact CB-CE1 3.48Å; D14-H18 WeakPolarHBondContact CB-CE1 3.44Å; D14-H18 PolarHBondContact O-N 3.42Å; D14-H18 VanDerWaalsContact O-N 3.12Å; D14-H18 PolarHBondContact O-ND1 3.38Å
15V98.2Very high97.5Very high29 Ų2968.6 Ų68.618%0.17633%0.328CS..Hα-helixtrans-56-51.2-178169.10000111Y12 T17 H18 R19Y12-V15 HydrophobicContact CD1-CG2 4.3Å; Y12-V15 HydrophobicContact CG-CG2 4.5Å; Y12-V15 WeakPolarHBondContact O-CG2 3.46Å; Y12-V15 PolarHBondContact O-N 3.29Å; V15-T17 VanDerWaalsContact C-N 3.31Å; V15-T17 PolarHBondContact O-N 2.94Å; V15-H18 PolarHBondContact O-N 2.97Å; V15-R19 HydrophobicContact CG1-CG 4.49Å; V15-R19 VanDerWaalsContact O-CG 3.23Å; V15-R19 WeakPolarHBondContact O-CG 3.43Å; V15-R19 PolarHBondContact O-N 3.1Å
16N98.5Very high97.6Very high1 Ų166.8 Ų66.81%0.00531%0.314CS..Hα-helixtrans-72.2-25.8-179.1-68.1-38000113.1D14 H18 R19 Y23 W24 G151 Y182D14-N16 PolarHBondContact O-N 3.49Å; N16-H18 VanDerWaalsContact C-N 3.29Å; N16-H18 PolarHBondContact O-N 2.93Å; N16-R19 PolarHBondContact O-N 2.99Å; N16-Y23 VanDerWaalsContact OD1-CE1 3.25Å; N16-Y23 WeakPolarHBondContact OD1-CE1 3.2Å; N16-W24 HydrophobicContact CB-CG 4.46Å; N16-W24 PolarHBondContact O-NE1 3.31Å; N16-G151 PolarHBondContact ND2-O 3.32Å; N16-Y182 PolarHBondContact ND2-N 2.63Å; N16-Y182 PolarHBondContact ND2-O 3Å
17T96.8Very high97.7Very high87 Ų8767.1 Ų67.153%0.53431%0.308SS..Hα-helixtrans-65.2-34.8174.7-50.70000111.4D14 V15D14-T17 WeakPolarHBondContact O-CB 3.39Å; D14-T17 PolarHBondContact O-N 3.12Å; V15-T17 VanDerWaalsContact C-N 3.31Å; V15-T17 PolarHBondContact O-N 2.94Å
18H97.5Very high97.6Very high157 Ų15770.2 Ų70.273%0.72733%0.329SS*.Hα-helixtrans-89.7-9.7179.2-60.8121.6000114.2D14 V15 N16D14-H18 VanDerWaalsContact CB-CE1 3.48Å; D14-H18 WeakPolarHBondContact CB-CE1 3.44Å; D14-H18 PolarHBondContact O-N 3.42Å; D14-H18 VanDerWaalsContact O-N 3.12Å; D14-H18 PolarHBondContact O-ND1 3.38Å; V15-H18 PolarHBondContact O-N 2.97Å; N16-H18 VanDerWaalsContact C-N 3.29Å; N16-H18 PolarHBondContact O-N 2.93Å
19R97.6Very high97.6Very high109 Ų10965.4 Ų65.441%0.41131%0.312SS..SBendtrans-85.6149.7175.7-69.8-78.2-171.8177.24.7110V15 N16 Y23V15-R19 HydrophobicContact CG1-CG 4.49Å; V15-R19 VanDerWaalsContact O-CG 3.23Å; V15-R19 WeakPolarHBondContact O-CG 3.43Å; V15-R19 PolarHBondContact O-N 3.1Å; N16-R19 PolarHBondContact O-N 2.99Å; R19-Y23 HydrophobicContact CB-CD1 3.78Å; R19-Y23 HydrophobicContact CB-CG 3.84Å; R19-Y23 HydrophobicContact CG-CD1 3.85Å; R19-Y23 HydrophobicContact CG-CE1 4.14Å; R19-Y23 HydrophobicContact CG-CG 4.06Å
20P97.7Very high97.4Very high71 Ų7170.9 Ų70.946%0.46135%0.345SS..  trans-66.3155176.835.2-39.9000110.1E22 Y23P20-E22 VanDerWaalsContact C-N 3.25Å; P20-E22 VanDerWaalsContact CB-CD 3.49Å; P20-E22 VanDerWaalsContact CB-OE1 3.28Å; P20-E22 WeakPolarHBondContact CB-OE1 3.38Å; P20-E22 WeakPolarHBondContact CB-OE2 3.34Å; P20-E22 HydrophobicContact CG-CG 4.32Å; P20-E22 WeakPolarHBondContact CG-OE1 3.45Å; P20-E22 PolarHBondContact O-N 3.11Å; P20-Y23 WeakPolarHBondContact O-CB 3.48Å; P20-Y23 PolarHBondContact O-N 3Å
21R97.1Very high97.2Very high164 Ų16466.7 Ų66.762%0.61933%0.331SS*.Hα-helixtrans-57.2-37.4-169.3178.5172.9173.5169.50.3112.9Y23 W24 D25R21-Y23 PolarHBondContact O-N 2.99Å; R21-Y23 VanDerWaalsContact O-N 3.08Å; R21-W24 HydrophobicContact CB-CZ2 4.16Å; R21-W24 HydrophobicContact CG-CH2 3.9Å; R21-W24 HydrophobicContact CG-CZ2 3.83Å; R21-W24 HydrophobicContact CG-CZ3 4.5Å; R21-W24 PolarHBondContact O-N 3.15Å; R21-D25 HydrophobicContact CG-CB 3.79Å; R21-D25 IonicContact CZ-OD2 2.77Å; R21-D25 VanDerWaalsContact CZ-OD2 3.31Å; R21-D25 IonicContact NE-OD2 3.64Å; R21-D25 PolarHBondContact NE-OD2 3.36Å; R21-D25 IonicContact NH2-OD2 3.9Å; R21-D25 PolarHBondContact NH2-OD2 3.1Å; R21-D25 WeakPolarHBondContact O-CB 3.41Å; R21-D25 PolarHBondContact O-N 2.95Å
22E96.8Very high97Very high123 Ų12372.8 Ų72.858%0.57536%0.356SS*.Hα-helixtrans-60.8-15.3177.264-89.1-16100114.3P20 K83P20-E22 VanDerWaalsContact C-N 3.25Å; P20-E22 VanDerWaalsContact CB-CD 3.49Å; P20-E22 VanDerWaalsContact CB-OE1 3.28Å; P20-E22 WeakPolarHBondContact CB-OE1 3.38Å; P20-E22 WeakPolarHBondContact CB-OE2 3.34Å; P20-E22 HydrophobicContact CG-CG 4.32Å; P20-E22 WeakPolarHBondContact CG-OE1 3.45Å; P20-E22 PolarHBondContact O-N 3.11Å; E22-K83 WeakPolarHBondContact O-CE 3.38Å; E22-K83 PolarHBondContact O-NZ 3.05Å
23Y98.3Very high96.8Very high21 Ų2175 Ų758%0.08236%0.364CS..Hα-helixtrans-71.1-43.1175.8-178.3-96.1000112.1N16 R19 P20 R21 K83 N87 M150 F181N16-Y23 VanDerWaalsContact OD1-CE1 3.25Å; N16-Y23 WeakPolarHBondContact OD1-CE1 3.2Å; R19-Y23 HydrophobicContact CB-CD1 3.78Å; R19-Y23 HydrophobicContact CB-CG 3.84Å; R19-Y23 HydrophobicContact CG-CD1 3.85Å; R19-Y23 HydrophobicContact CG-CE1 4.14Å; R19-Y23 HydrophobicContact CG-CG 4.06Å; P20-Y23 WeakPolarHBondContact O-CB 3.48Å; P20-Y23 PolarHBondContact O-N 3Å; R21-Y23 PolarHBondContact O-N 2.99Å; R21-Y23 VanDerWaalsContact O-N 3.08Å; Y23-K83 WeakPolarHBondContact O-CE 3.19Å; Y23-N87 HydrophobicContact CE2-CB 4.06Å; Y23-N87 WeakPolarHBondContact CE2-ND2 3.48Å; Y23-N87 PolarHBondContact O-ND2 3.14Å; Y23-M150 HydrophobicContact CE2-CE 4.26Å; Y23-M150 WeakPolarHBondContact OH-CB 3.5Å; Y23-M150 WeakPolarHBondContact OH-CE 3.24Å; Y23-M150 PolarHBondContact OH-O 3.16Å; Y23-F181 HydrophobicContact CD1-CE1 4.15Å; Y23-F181 HydrophobicContact CE1-CD1 4.2Å; Y23-F181 AromaticContact CE1-CE1 3.82Å; Y23-F181 HydrophobicContact CE1-CE1 3.82Å
24W97.7Very high96.7Very high73 Ų7375.3 Ų75.328%0.27737%0.372SS..Hα-helixtrans-115-17.4-172.655.1-103000113.6N16 R21 Y26 F181 H183N16-W24 HydrophobicContact CB-CG 4.46Å; N16-W24 PolarHBondContact O-NE1 3.31Å; R21-W24 HydrophobicContact CB-CZ2 4.16Å; R21-W24 HydrophobicContact CG-CH2 3.9Å; R21-W24 HydrophobicContact CG-CZ2 3.83Å; R21-W24 HydrophobicContact CG-CZ3 4.5Å; R21-W24 PolarHBondContact O-N 3.15Å; W24-Y26 WeakPolarHBondContact O-CD1 3.42Å; W24-Y26 PolarHBondContact O-N 3.26Å; W24-F181 HydrophobicContact CB-CB 4.16Å; W24-F181 HydrophobicContact CB-CD1 3.8Å; W24-F181 HydrophobicContact CB-CD2 4.23Å; W24-F181 HydrophobicContact CB-CE1 4.25Å; W24-F181 HydrophobicContact CB-CG 3.79Å; W24-H183 AromaticContact CD2-CE1 3.67Å; W24-H183 AromaticContact CD2-NE2 3.94Å; W24-H183 AromaticContact CE3-NE2 3.93Å; W24-H183 AromaticContact CG-CE1 3.76Å
25D97.5Very high96.5Very high20 Ų2076.1 Ų76.111%0.10738%0.376CS..  trans-77.170175.6-169.9-12.7000111.1R21 E27 S28R21-D25 HydrophobicContact CG-CB 3.79Å; R21-D25 IonicContact CZ-OD2 2.77Å; R21-D25 VanDerWaalsContact CZ-OD2 3.31Å; R21-D25 IonicContact NE-OD2 3.64Å; R21-D25 PolarHBondContact NE-OD2 3.36Å; R21-D25 IonicContact NH2-OD2 3.9Å; R21-D25 PolarHBondContact NH2-OD2 3.1Å; R21-D25 WeakPolarHBondContact O-CB 3.41Å; R21-D25 PolarHBondContact O-N 2.95Å; D25-E27 PolarHBondContact O-N 3.15Å; D25-E27 VanDerWaalsContact O-N 3.14Å; D25-E27 PolarHBondContact OD1-N 3.2Å; D25-S28 PolarHBondContact O-N 3.43Å; D25-S28 PolarHBondContact O-OG 3.31Å; D25-S28 PolarHBondContact OD1-N 3.46Å
26Y97.7Very high96.3Very high25 Ų2577 Ų7710%0.09838%0.378CS..THydrogen-bonded Turntrans-64.7-13.1179.458.3-99.9000113.6W24 K76 K79 R80 E180 F181W24-Y26 WeakPolarHBondContact O-CD1 3.42Å; W24-Y26 PolarHBondContact O-N 3.26Å; Y26-K76 HydrophobicContact CD2-CG 4.31Å; Y26-K76 HydrophobicContact CE2-CD 4.17Å; Y26-K76 VanDerWaalsContact CE2-CE 3.46Å; Y26-K76 HydrophobicContact CE2-CG 3.57Å; Y26-K76 VanDerWaalsContact OH-CE 3.23Å; Y26-K76 WeakPolarHBondContact OH-CE 3.46Å; Y26-K79 WeakPolarHBondContact O-CB 3.4Å; Y26-K79 VanDerWaalsContact O-CD 3.3Å; Y26-K79 WeakPolarHBondContact O-CD 3.19Å; Y26-R80 HydrophobicContact CD1-CB 4.25Å; Y26-R80 HydrophobicContact CD1-CG 3.93Å; Y26-R80 HydrophobicContact CD2-CB 3.55Å; Y26-R80 HydrophobicContact CD2-CG 4.12Å; Y26-R80 HydrophobicContact CE1-CB 4.36Å; Y26-R80 HydrophobicContact CE1-CG 3.85Å; Y26-R80 HydrophobicContact CE2-CB 3.66Å; Y26-R80 HydrophobicContact CE2-CG 4.02Å; Y26-R80 HydrophobicContact CG-CB 3.85Å; Y26-R80 HydrophobicContact CG-CG 4.06Å; Y26-E180 WeakPolarHBondContact CE1-OE1 3.49Å; Y26-E180 PolarHBondContact OH-OE1 3.43Å; Y26-F181 AromaticContact CD1-CD2 3.77Å; Y26-F181 HydrophobicContact CD1-CD2 3.77Å; Y26-F181 AromaticContact CD1-CE2 3.86Å; Y26-F181 HydrophobicContact CD1-CE2 3.86Å; Y26-F181 HydrophobicContact CE1-CD2 4.14Å
27E96Very high96.2Very high102 Ų10282.1 Ų82.148%0.47741%0.406SS..THydrogen-bonded Turntrans-71.2-37.8175.3-63.8-162.9-135.700111.4D25 H29 K76 K79D25-E27 PolarHBondContact O-N 3.15Å; D25-E27 VanDerWaalsContact O-N 3.14Å; D25-E27 PolarHBondContact OD1-N 3.2Å; E27-H29 VanDerWaalsContact C-N 3.33Å; E27-K76 HydrophobicContact CG-CD 3.98Å; E27-K76 HydrophobicContact CG-CG 4.01Å; E27-K76 WeakPolarHBondContact OE1-CD 3.42Å; E27-K76 WeakPolarHBondContact OE1-CE 3.37Å; E27-K76 IonicContact OE1-NZ 3.73Å; E27-K76 PolarHBondContact OE1-NZ 3.25Å; E27-K79 PolarHBondContact O-NZ 3.34Å
28S95.3Very high96.2Very high70 Ų7080.1 Ų80.149%0.4939%0.392SS..THydrogen-bonded Turntrans-75.1-18.8176.6740000113.8D25 V30D25-S28 PolarHBondContact O-N 3.43Å; D25-S28 PolarHBondContact O-OG 3.31Å; D25-S28 PolarHBondContact OD1-N 3.46Å; S28-V30 PolarHBondContact O-N 3.02Å
29H95.9Very high96.2Very high29 Ų2974 Ų7413%0.13436%0.362CS..PPolyproline II helixtrans-59.1132.4-175.2178.366.2000112.9E27 K79 E86E27-H29 VanDerWaalsContact C-N 3.33Å; H29-K79 WeakPolarHBondContact O-CD 3.35Å; H29-K79 WeakPolarHBondContact O-CE 2.98Å; H29-K79 PolarHBondContact O-NZ 3.28Å; H29-E86 IonicContact CE1-OE1 2.76Å; H29-E86 IonicContact CE1-OE2 2.73Å; H29-E86 PolarHBondContact CE1-OE2 3.02Å; H29-E86 IonicContact ND1-OE2 3.5Å; H29-E86 IonicContact NE2-OE1 3.32Å; H29-E86 IonicContact NE2-OE2 2.66Å; H29-E86 PolarHBondContact NE2-OE2 3.41Å
30V94.9Very high96.2Very high119 Ų11974.7 Ų74.772%0.72137%0.37SS*.PPolyproline II helixtrans-100.2120.3177.9179.90000108.1S28S28-V30 PolarHBondContact O-N 3.02Å
31V94.1Very high96.2Very high18 Ų1875.2 Ų75.211%0.10937%0.369CS..PPolyproline II helixtrans-89.2122.5-178.8179.20000109.2W33 K79 I82 I100V31-W33 HydrophobicContact CB-CZ2 3.98Å; V31-W33 HydrophobicContact CG1-CD2 3.88Å; V31-W33 HydrophobicContact CG1-CE3 4.09Å; V31-W33 HydrophobicContact CG1-CG 4.49Å; V31-W33 HydrophobicContact CG1-CH2 4.02Å; V31-W33 HydrophobicContact CG1-CZ2 3.75Å; V31-W33 HydrophobicContact CG1-CZ3 4.18Å; V31-W33 VanDerWaalsContact O-CD1 3.3Å; V31-W33 PolarHBondContact O-NE1 3.48Å; V31-K79 HydrophobicContact CG2-CG 4.49Å; V31-I82 HydrophobicContact CG1-CD1 4.02Å; V31-I82 HydrophobicContact CG2-CD1 3.81Å; V31-I82 HydrophobicContact CG2-CG2 4.39Å; V31-I100 HydrophobicContact CG1-CB 4.38Å; V31-I100 HydrophobicContact CG1-CD1 4.2Å; V31-I100 HydrophobicContact CG1-CG2 3.68Å
32E94Very high96.2Very high173 Ų17371.1 Ų71.181%0.80836%0.362SS*.PPolyproline II helixtrans-80.9127166.2-63.9-176.3177.700108.7
33W95.6Very high96.2Very high104 Ų10471.5 Ų71.539%0.39436%0.358SS..PPolyproline II helixtrans-104122.1-174.7-5992000110.1V31 I100 K102 P109V31-W33 HydrophobicContact CB-CZ2 3.98Å; V31-W33 HydrophobicContact CG1-CD2 3.88Å; V31-W33 HydrophobicContact CG1-CE3 4.09Å; V31-W33 HydrophobicContact CG1-CG 4.49Å; V31-W33 HydrophobicContact CG1-CH2 4.02Å; V31-W33 HydrophobicContact CG1-CZ2 3.75Å; V31-W33 HydrophobicContact CG1-CZ3 4.18Å; V31-W33 VanDerWaalsContact O-CD1 3.3Å; V31-W33 PolarHBondContact O-NE1 3.48Å; W33-I100 CarbonylContact C-O 3.19Å; W33-I100 WeakPolarHBondContact CA-O 3.47Å; W33-I100 HydrophobicContact CE3-CG2 3.72Å; W33-I100 HydrophobicContact CH2-CG2 4.4Å; W33-I100 HydrophobicContact CZ3-CG2 3.58Å; W33-K102 HydrophobicContact CD2-CB 3.9Å; W33-K102 HydrophobicContact CD2-CD 3.98Å; W33-K102 HydrophobicContact CE3-CB 3.51Å; W33-K102 HydrophobicContact CE3-CD 4.16Å; W33-K102 HydrophobicContact CE3-CG 4.34Å; W33-K102 HydrophobicContact CG-CB 4.34Å; W33-K102 HydrophobicContact CG-CD 4.5Å; W33-K102 HydrophobicContact CH2-CD 4.41Å; W33-K102 HydrophobicContact CZ2-CD 4.28Å; W33-K102 HydrophobicContact CZ3-CB 4.01Å; W33-K102 HydrophobicContact CZ3-CD 4.34Å; W33-K102 HydrophobicContact CZ3-CG 4.49Å; W33-P109 HydrophobicContact CH2-CB 3.6Å; W33-P109 HydrophobicContact CZ3-CB 3.52Å
34G95.9Very high96.1Very high28 Ų2875.3 Ų75.329%0.28938%0.375SS..EExtended strand (participates in β ladder)trans-73.5-179.8169.500000113.2I100G34-I100 PolarHBondContact N-O 3.18Å
35N94Very high96Very high76 Ų7675.3 Ų75.341%0.40638%0.38SS..EExtended strand (participates in β ladder)trans-90.2116.1-179.3-175.819.2000111.1D37 D38N35-D37 PolarHBondContact O-N 2.93Å; N35-D37 PolarHBondContact OD1-N 3.44Å; N35-D38 PolarHBondContact ND2-OD1 3.01Å; N35-D38 WeakPolarHBondContact O-CB 3.24Å; N35-D38 PolarHBondContact O-N 3.47Å
36Q94.5Very high95.7Very high47 Ų4775.7 Ų75.722%0.2239%0.389CS..G310 helixtrans-64.4-29.2179.4-170.3-178.9-80.400112.5D38 Y39 V101 D103Q36-D38 PolarHBondContact O-N 3.29Å; Q36-D38 VanDerWaalsContact O-N 3.15Å; Q36-Y39 PolarHBondContact O-N 2.99Å; Q36-V101 HydrophobicContact CB-CB 4.02Å; Q36-V101 HydrophobicContact CB-CG2 4.09Å; Q36-V101 HydrophobicContact CG-CB 4.47Å; Q36-V101 HydrophobicContact CG-CG2 3.97Å; Q36-D103 PolarHBondContact NE2-OD2 2.77Å; Q36-D103 VanDerWaalsContact OE1-CB 3.27Å
37D94.7Very high95.5Very high108 Ų10883.4 Ų83.458%0.57842%0.418SS*.G310 helixtrans-66.7-14.9-177.9-64.8-18.3000112.6N35 Y39 I59N35-D37 PolarHBondContact O-N 2.93Å; N35-D37 PolarHBondContact OD1-N 3.44Å; D37-Y39 PolarHBondContact O-N 2.9Å; D37-I59 WeakPolarHBondContact O-CD1 3.35Å
38D96.7Very high95.1Very high46 Ų4680 Ų8025%0.24641%0.41CS..G310 helixtrans-69.8-10.6173.9-62.2-4.6000112.1N35 Q36 N58 I59 T60N35-D38 PolarHBondContact ND2-OD1 3.01Å; N35-D38 WeakPolarHBondContact O-CB 3.24Å; N35-D38 PolarHBondContact O-N 3.47Å; Q36-D38 PolarHBondContact O-N 3.29Å; Q36-D38 VanDerWaalsContact O-N 3.15Å; D38-N58 CarbonylContact O-C 3.6Å; D38-N58 VanDerWaalsContact O-CA 3.31Å; D38-N58 WeakPolarHBondContact O-CA 3.18Å; D38-N58 PolarHBondContact O-OD1 2.98Å; D38-I59 WeakPolarHBondContact O-CG1 3.36Å; D38-I59 PolarHBondContact O-N 3.37Å; D38-T60 HydrophobicContact CB-CG2 4.08Å
39Y98Very high94.7Very high28 Ų2884.3 Ų84.311%0.1142%0.42CS..EExtended strand (participates in β ladder)trans-122.1107.2-173-58.5-74.3000112.7Q36 D37 N58 V65 D99 V101 V112Q36-Y39 PolarHBondContact O-N 2.99Å; D37-Y39 PolarHBondContact O-N 2.9Å; Y39-N58 HydrophobicContact CD1-CB 4Å; Y39-N58 HydrophobicContact CE1-CB 3.79Å; Y39-V65 HydrophobicContact CD1-CG2 3.74Å; Y39-V65 HydrophobicContact CE1-CG2 4.12Å; Y39-D99 HydrophobicContact CE2-CB 4.42Å; Y39-D99 VanDerWaalsContact OH-CB 3.23Å; Y39-D99 WeakPolarHBondContact OH-CB 3.11Å; Y39-D99 PolarHBondContact OH-OD2 2.88Å; Y39-V101 HydrophobicContact CD2-CG1 3.88Å; Y39-V101 HydrophobicContact CE2-CG1 3.56Å; Y39-V112 HydrophobicContact CD1-CG1 4Å; Y39-V112 HydrophobicContact CD1-CG2 4.44Å; Y39-V112 HydrophobicContact CD2-CG2 4.04Å; Y39-V112 HydrophobicContact CE1-CB 4.42Å; Y39-V112 HydrophobicContact CE1-CG1 3.54Å; Y39-V112 HydrophobicContact CE1-CG2 4.24Å; Y39-V112 HydrophobicContact CE2-CG2 3.81Å; Y39-V112 HydrophobicContact CG-CG2 4.33Å
40Q97.3Very high94.5Very high123 Ų12388 Ų8858%0.57543%0.434SS*.EExtended strand (participates in β ladder)trans-89115.6175.7-172.9176.234.700110.8V42 A56 I57 I59Q40-V42 PolarHBondContact O-N 3.36Å; Q40-A56 CarbonylContact O-C 3.5Å; Q40-A56 WeakPolarHBondContact O-CA 3.49Å; Q40-A56 VanDerWaalsContact O-CB 3.26Å; Q40-A56 WeakPolarHBondContact O-CB 3.17Å; Q40-I57 PolarHBondContact N-O 2.73Å; Q40-I57 PolarHBondContact O-N 2.85Å; Q40-I59 HydrophobicContact CB-CG2 3.81Å
41L97.5Very high94.5Very high83 Ų8382.8 Ų82.844%0.43540%0.403SS..EExtended strand (participates in β ladder)trans-66.8130.7175.7-54.3-175.1000110.9F54 A56 V67 I69L41-F54 HydrophobicContact CD1-CD1 4.32Å; L41-F54 HydrophobicContact CD1-CD2 4.46Å; L41-F54 HydrophobicContact CD1-CG 4.24Å; L41-F54 HydrophobicContact CD2-CB 3.92Å; L41-F54 HydrophobicContact CD2-CG 4.37Å; L41-A56 HydrophobicContact CD2-CB 4.02Å; L41-V67 HydrophobicContact CD2-CB 3.91Å; L41-V67 HydrophobicContact CD2-CG1 4.13Å; L41-V67 HydrophobicContact CD2-CG2 4.08Å; L41-I69 HydrophobicContact CD1-CD1 4.11Å
42V97.5Very high94.6Very high78 Ų7884.3 Ų84.347%0.47341%0.409SS..EExtended strand (participates in β ladder)trans-101.7-57.6-179.3176.80000110.9Q40 E55 I57Q40-V42 PolarHBondContact O-N 3.36Å; V42-E55 PolarHBondContact N-O 3.13Å; V42-I57 HydrophobicContact CG2-CD1 3.79Å; V42-I57 HydrophobicContact CG2-CG1 3.81Å
43R97.1Very high94.8Very high130 Ų13077.8 Ų77.849%0.49138%0.38SS..EExtended strand (participates in β ladder)trans-150.4153.9-179.163.5177.1177.7105.46.9111.7F54 E55R43-F54 CarbonylContact O-C 3.48Å; R43-F54 VanDerWaalsContact O-CA 3.3Å; R43-F54 WeakPolarHBondContact O-CA 3.4Å; R43-E55 WeakPolarHBondContact CD-OE2 3.28Å; R43-E55 HydrophobicContact CG-CB 3.89Å; R43-E55 WeakPolarHBondContact CG-OE2 3.43Å; R43-E55 IonicContact CZ-OE1 3.61Å; R43-E55 IonicContact CZ-OE2 3.8Å; R43-E55 PolarHBondContact N-O 3.41Å; R43-E55 IonicContact NE-OE1 2.8Å; R43-E55 PolarHBondContact NE-OE1 2.66Å; R43-E55 IonicContact NE-OE2 2.77Å; R43-E55 PolarHBondContact NE-OE2 2.81Å; R43-E55 IonicContact NH2-OE1 3.62Å; R43-E55 PolarHBondContact NH2-OE1 2.92Å; R43-E55 IonicContact NH2-OE2 3.96Å; R43-E55 PolarHBondContact O-N 2.74Å
44K97Very high94.9Very high102 Ų10274.4 Ų74.444%0.44337%0.369SS..EExtended strand (participates in β ladder)trans-76.3127.8174.2-167.5171.9-170.7163.40110.3E52 F54K44-E52 IonicContact NZ-OE1 2.69Å; K44-E52 PolarHBondContact NZ-OE1 3.46Å; K44-F54 HydrophobicContact CB-CD1 3.87Å; K44-F54 HydrophobicContact CB-CE1 3.75Å; K44-F54 HydrophobicContact CD-CE1 4.14Å; K44-F54 HydrophobicContact CD-CZ 4.31Å; K44-F54 HydrophobicContact CG-CD1 4.13Å; K44-F54 HydrophobicContact CG-CE1 3.81Å; K44-F54 HydrophobicContact CG-CZ 4.22Å
45L94.4Very high95Very high72 Ų7274 Ų7438%0.37736%0.359SS..EExtended strand (participates in β ladder)trans-93.9-37.3175.5-64.2178.2000111.7V53 E55 V66L45-V53 HydrophobicContact CB-CG1 4.24Å; L45-V53 HydrophobicContact CD1-CG1 4.29Å; L45-V53 PolarHBondContact N-O 3.24Å; L45-E55 HydrophobicContact CD1-CB 4.03Å; L45-E55 HydrophobicContact CD2-CB 4.04Å; L45-E55 HydrophobicContact CG-CB 4.02Å; L45-V66 HydrophobicContact CD1-CG1 4.2Å; L45-V66 HydrophobicContact CD1-CG2 3.96Å
46G92.1Very high95.3Very high29 Ų2970.4 Ų70.430%0.29934%0.34SS..EExtended strand (participates in β ladder)trans-168.4168.3-174.400000114.4V53G46-V53 PolarHBondContact N-O 3.46Å; G46-V53 VanDerWaalsContact N-O 3.11Å; G46-V53 PolarHBondContact O-N 2.91Å
47R93Very high95.4Very high186 Ų18670.7 Ų70.770%0.70234%0.342SS*.EExtended strand (participates in β ladder)trans-136.1120176.8-174.1178.4-165.9-147.1-3.4109.2E52R47-E52 WeakPolarHBondContact CD-OE1 3.42Å; R47-E52 HydrophobicContact CG-CG 4.21Å; R47-E52 IonicContact NE-OE1 3.25Å; R47-E52 PolarHBondContact NE-OE1 3.31Å
48G88.3Confident95.6Very high31 Ų3166.3 Ų66.332%0.3232%0.319SS..  trans-105.3177174.700000112.4Y50 S51 K71G48-Y50 VanDerWaalsContact C-N 3.28Å; G48-Y50 PolarHBondContact O-N 2.89Å; G48-S51 CarbonylContact C-O 3.54Å; G48-S51 WeakPolarHBondContact CA-O 3.45Å; G48-S51 PolarHBondContact N-O 3.07Å; G48-K71 PolarHBondContact O-NZ 3Å
49K87.3Confident95.6Very high161 Ų16168.3 Ų68.370%0.733%0.329SS*.SBendtrans-63-37172.3-176.6174.3177.2-175.40111.9K71K49-K71 WeakPolarHBondContact O-CD 3.48Å
50Y91.3Very high95.5Very high106 Ų10671.5 Ų71.542%0.41635%0.351SS..SBendtrans-112.7-4.8-171.6-55.3-65000114.2G48 K71 V73G48-Y50 VanDerWaalsContact C-N 3.28Å; G48-Y50 PolarHBondContact O-N 2.89Å; Y50-K71 WeakPolarHBondContact O-CB 3.24Å; Y50-K71 PolarHBondContact O-N 3.1Å; Y50-V73 HydrophobicContact CD1-CG1 3.68Å; Y50-V73 HydrophobicContact CE1-CG1 4.5Å; Y50-V73 HydrophobicContact CG-CG1 4.42Å
51S94.9Very high95.5Very high10 Ų1069.5 Ų69.57%0.0735%0.345CS..EExtended strand (participates in β ladder)trans-154.6167.4-176.859.80000112.6G48 K68 I69G48-S51 CarbonylContact C-O 3.54Å; G48-S51 WeakPolarHBondContact CA-O 3.45Å; G48-S51 PolarHBondContact N-O 3.07Å; S51-K68 WeakPolarHBondContact OG-CE 3.34Å; S51-I69 CarbonylContact C-O 3.59Å; S51-I69 WeakPolarHBondContact CA-O 3.38Å; S51-I69 VanDerWaalsContact CB-O 3.28Å; S51-I69 WeakPolarHBondContact CB-O 3.24Å
52E96.8Very high95.5Very high50 Ų5072 Ų7223%0.23436%0.358CS..EExtended strand (participates in β ladder)trans-124.5138.7163.4-56.8-162.310800108.1K44 R47 F54 K68 I69K44-E52 IonicContact NZ-OE1 2.69Å; K44-E52 PolarHBondContact NZ-OE1 3.46Å; R47-E52 WeakPolarHBondContact CD-OE1 3.42Å; R47-E52 HydrophobicContact CG-CG 4.21Å; R47-E52 IonicContact NE-OE1 3.25Å; R47-E52 PolarHBondContact NE-OE1 3.31Å; E52-F54 HydrophobicContact CB-CE2 3.61Å; E52-F54 HydrophobicContact CB-CZ 4.19Å; E52-K68 CarbonylContact O-C 3.54Å; E52-K68 WeakPolarHBondContact O-CA 3.34Å; E52-I69 PolarHBondContact N-O 3.34Å; E52-I69 PolarHBondContact O-N 2.89Å
53V97.6Very high95.5Very high35 Ų3573.2 Ų73.221%0.21236%0.359CS..EExtended strand (participates in β ladder)trans-119131.8-171.1-174.80000109L45 G46 V66 V67 K68L45-V53 HydrophobicContact CB-CG1 4.24Å; L45-V53 HydrophobicContact CD1-CG1 4.29Å; L45-V53 PolarHBondContact N-O 3.24Å; G46-V53 PolarHBondContact N-O 3.46Å; G46-V53 VanDerWaalsContact N-O 3.11Å; G46-V53 PolarHBondContact O-N 2.91Å; V53-V66 HydrophobicContact CG1-CG1 3.35Å; V53-V67 WeakPolarHBondContact CA-O 3.24Å; V53-K68 HydrophobicContact CG2-CB 4.43Å; V53-K68 HydrophobicContact CG2-CG 4.16Å
54F98.2Very high95.5Very high34 Ų3472.8 Ų72.815%0.14936%0.36CS..EExtended strand (participates in β ladder)trans-130.2145.1-176.1-62.2-95.7000110.3L41 R43 K44 E52 V66 V67 I69L41-F54 HydrophobicContact CD1-CD1 4.32Å; L41-F54 HydrophobicContact CD1-CD2 4.46Å; L41-F54 HydrophobicContact CD1-CG 4.24Å; L41-F54 HydrophobicContact CD2-CB 3.92Å; L41-F54 HydrophobicContact CD2-CG 4.37Å; R43-F54 CarbonylContact O-C 3.48Å; R43-F54 VanDerWaalsContact O-CA 3.3Å; R43-F54 WeakPolarHBondContact O-CA 3.4Å; K44-F54 HydrophobicContact CB-CD1 3.87Å; K44-F54 HydrophobicContact CB-CE1 3.75Å; K44-F54 HydrophobicContact CD-CE1 4.14Å; K44-F54 HydrophobicContact CD-CZ 4.31Å; K44-F54 HydrophobicContact CG-CD1 4.13Å; K44-F54 HydrophobicContact CG-CE1 3.81Å; K44-F54 HydrophobicContact CG-CZ 4.22Å; E52-F54 HydrophobicContact CB-CE2 3.61Å; E52-F54 HydrophobicContact CB-CZ 4.19Å; F54-V66 CarbonylContact O-C 3.52Å; F54-V66 WeakPolarHBondContact O-CA 3.24Å; F54-V67 PolarHBondContact N-O 3.29Å; F54-V67 PolarHBondContact O-N 2.9Å; F54-I69 HydrophobicContact CD2-CD1 3.93Å; F54-I69 HydrophobicContact CD2-CG1 4.18Å; F54-I69 HydrophobicContact CE2-CD1 3.72Å; F54-I69 HydrophobicContact CE2-CG1 4.22Å
55E98Very high95.6Very high20 Ų2068.1 Ų68.19%0.09334%0.34CS..EExtended strand (participates in β ladder)trans-77.2136.9159.9-177.3-179.6-102.400107.1V42 R43 L45 H115V42-E55 PolarHBondContact N-O 3.13Å; R43-E55 WeakPolarHBondContact CD-OE2 3.28Å; R43-E55 HydrophobicContact CG-CB 3.89Å; R43-E55 WeakPolarHBondContact CG-OE2 3.43Å; R43-E55 IonicContact CZ-OE1 3.61Å; R43-E55 IonicContact CZ-OE2 3.8Å; R43-E55 PolarHBondContact N-O 3.41Å; R43-E55 IonicContact NE-OE1 2.8Å; R43-E55 PolarHBondContact NE-OE1 2.66Å; R43-E55 IonicContact NE-OE2 2.77Å; R43-E55 PolarHBondContact NE-OE2 2.81Å; R43-E55 IonicContact NH2-OE1 3.62Å; R43-E55 PolarHBondContact NH2-OE1 2.92Å; R43-E55 IonicContact NH2-OE2 3.96Å; R43-E55 PolarHBondContact O-N 2.74Å; L45-E55 HydrophobicContact CD1-CB 4.03Å; L45-E55 HydrophobicContact CD2-CB 4.04Å; L45-E55 HydrophobicContact CG-CB 4.02Å; E55-H115 IonicContact OE1-CD2 3.92Å; E55-H115 IonicContact OE1-NE2 2.9Å; E55-H115 PolarHBondContact OE1-NE2 2.61Å
56A98.4Very high95.7Very high0 Ų065.7 Ų65.70%033%0.329CS..EExtended strand (participates in β ladder)trans-141.3167.8179.900000110.5Q40 L41 V65 V67Q40-A56 CarbonylContact O-C 3.5Å; Q40-A56 WeakPolarHBondContact O-CA 3.49Å; Q40-A56 VanDerWaalsContact O-CB 3.26Å; Q40-A56 WeakPolarHBondContact O-CB 3.17Å; L41-A56 HydrophobicContact CD2-CB 4.02Å; A56-V65 HydrophobicContact CB-CG2 3.94Å; A56-V65 PolarHBondContact N-O 3.22Å; A56-V65 PolarHBondContact O-N 2.84Å; A56-V67 HydrophobicContact CB-CB 4.47Å; A56-V67 HydrophobicContact CB-CG2 3.58Å
57I98.3Very high96Very high52 Ų5264.6 Ų64.627%0.26732%0.316SS..EExtended strand (participates in β ladder)trans-116.3130.3171.7-63.6166.4000107.4Q40 V42 I59 E63Q40-I57 PolarHBondContact N-O 2.73Å; Q40-I57 PolarHBondContact O-N 2.85Å; V42-I57 HydrophobicContact CG2-CD1 3.79Å; V42-I57 HydrophobicContact CG2-CG1 3.81Å; I57-I59 PolarHBondContact O-N 2.98Å; I57-E63 WeakPolarHBondContact CA-O 3.31Å
58N98Very high96.3Very high16 Ų1656.4 Ų56.49%0.08629%0.286CS..EExtended strand (participates in β ladder)trans-73.7111.6165.7179.2-15000108.3D38 Y39 T60 N61 N62 E63 V65D38-N58 CarbonylContact O-C 3.6Å; D38-N58 VanDerWaalsContact O-CA 3.31Å; D38-N58 WeakPolarHBondContact O-CA 3.18Å; D38-N58 PolarHBondContact O-OD1 2.98Å; Y39-N58 HydrophobicContact CD1-CB 4Å; Y39-N58 HydrophobicContact CE1-CB 3.79Å; N58-T60 PolarHBondContact O-N 3.12Å; N58-T60 WeakPolarHBondContact OD1-CB 3.28Å; N58-T60 PolarHBondContact OD1-N 3.08Å; N58-T60 PolarHBondContact OD1-OG1 3.06Å; N58-N61 VanDerWaalsContact CB-OD1 3.24Å; N58-N61 WeakPolarHBondContact CB-OD1 3.21Å; N58-N61 PolarHBondContact ND2-OD1 3.18Å; N58-N61 PolarHBondContact O-N 2.8Å; N58-N61 PolarHBondContact O-OD1 2.71Å; N58-N62 WeakPolarHBondContact O-CA 3.37Å; N58-N62 PolarHBondContact O-N 3.48Å; N58-E63 PolarHBondContact N-O 2.94Å; N58-V65 HydrophobicContact CB-CG1 4.4Å
59I97.1Very high96.7Very high89 Ų8957.1 Ų57.146%0.45628%0.282SS..THydrogen-bonded Turntrans-73.1-14.4-173.168.9178.1000113D37 D38 Q40 I57D37-I59 WeakPolarHBondContact O-CD1 3.35Å; D38-I59 WeakPolarHBondContact O-CG1 3.36Å; D38-I59 PolarHBondContact O-N 3.37Å; Q40-I59 HydrophobicContact CB-CG2 3.81Å; I57-I59 PolarHBondContact O-N 2.98Å
60T96.6Very high97.1Very high94 Ų9449.8 Ų49.858%0.57725%0.25SS*.THydrogen-bonded Turntrans-78.1-27.4179.369.40000112.5D38 N58D38-T60 HydrophobicContact CB-CG2 4.08Å; N58-T60 PolarHBondContact O-N 3.12Å; N58-T60 WeakPolarHBondContact OD1-CB 3.28Å; N58-T60 PolarHBondContact OD1-N 3.08Å; N58-T60 PolarHBondContact OD1-OG1 3.06Å
61N96.9Very high97.2Very high82 Ų8247.4 Ų47.444%0.43924%0.242SC..THydrogen-bonded Turntrans-1361.4-175.1710000114.4N58 E63N58-N61 VanDerWaalsContact CB-OD1 3.24Å; N58-N61 WeakPolarHBondContact CB-OD1 3.21Å; N58-N61 PolarHBondContact ND2-OD1 3.18Å; N58-N61 PolarHBondContact O-N 2.8Å; N58-N61 PolarHBondContact O-OD1 2.71Å; N61-E63 PolarHBondContact ND2-OE2 2.77Å; N61-E63 PolarHBondContact O-N 3.48Å; N61-E63 WeakPolarHBondContact OD1-CB 3.41Å; N61-E63 PolarHBondContact OD1-N 3.41Å
62N96.4Very high97.1Very high134 Ų13453.5 Ų53.572%0.71728%0.281SS*.THydrogen-bonded Turntrans59.719.6-175.9-65-48.9000115.5N58N58-N62 WeakPolarHBondContact O-CA 3.37Å; N58-N62 PolarHBondContact O-N 3.48Å
63E97.2Very high96.8Very high104 Ų10453.2 Ų53.249%0.48628%0.283SS..EExtended strand (participates in β ladder)trans-77.3138178-168.5180-178.400111.4I57 N58 N61I57-E63 WeakPolarHBondContact CA-O 3.31Å; N58-E63 PolarHBondContact N-O 2.94Å; N61-E63 PolarHBondContact ND2-OE2 2.77Å; N61-E63 PolarHBondContact O-N 3.48Å; N61-E63 WeakPolarHBondContact OD1-CB 3.41Å; N61-E63 PolarHBondContact OD1-N 3.41Å
64K97.6Very high96.5Very high121 Ų12159.5 Ų59.553%0.52631%0.307SS..EExtended strand (participates in β ladder)trans-74.1130.8170.4-70-174.8-179.4-177.80110H115K64-H115 HydrophobicContact CB-CB 4.08Å; K64-H115 VanDerWaalsContact O-CB 3.22Å; K64-H115 WeakPolarHBondContact O-CB 3.26Å
65V98.5Very high96.3Very high4 Ų466 Ų662%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-134.4169.8179.8-59.60000111Y39 A56 N58 V67 V112 F113Y39-V65 HydrophobicContact CD1-CG2 3.74Å; Y39-V65 HydrophobicContact CE1-CG2 4.12Å; A56-V65 HydrophobicContact CB-CG2 3.94Å; A56-V65 PolarHBondContact N-O 3.22Å; A56-V65 PolarHBondContact O-N 2.84Å; N58-V65 HydrophobicContact CB-CG1 4.4Å; V65-V67 HydrophobicContact CG2-CG2 4.39Å; V65-V112 HydrophobicContact CB-CG1 3.86Å; V65-V112 HydrophobicContact CG1-CG1 4.26Å; V65-V112 HydrophobicContact CG2-CG1 3.85Å; V65-F113 WeakPolarHBondContact CA-O 3.11Å; V65-F113 WeakPolarHBondContact CB-O 3.37Å
66V98.5Very high96.1Very high22 Ų2269.5 Ų69.513%0.13335%0.35CS..EExtended strand (participates in β ladder)trans-115.3122.9173.3174.30000109.6L45 V53 F54 V112 F113 H115L45-V66 HydrophobicContact CD1-CG1 4.2Å; L45-V66 HydrophobicContact CD1-CG2 3.96Å; V53-V66 HydrophobicContact CG1-CG1 3.35Å; F54-V66 CarbonylContact O-C 3.52Å; F54-V66 WeakPolarHBondContact O-CA 3.24Å; V66-V112 CarbonylContact O-C 3.55Å; V66-V112 WeakPolarHBondContact O-CA 3.43Å; V66-F113 HydrophobicContact CB-CB 4.39Å; V66-F113 PolarHBondContact N-O 3.16Å; V66-F113 PolarHBondContact O-N 2.57Å; V66-H115 HydrophobicContact CG2-CB 4.41Å
67V98.3Very high95.9Very high5 Ų573.4 Ų73.43%0.0337%0.367CS..EExtended strand (participates in β ladder)trans-103.4115178.4-179.70000109.4L41 V53 F54 A56 V65 I69 A110 V112L41-V67 HydrophobicContact CD2-CB 3.91Å; L41-V67 HydrophobicContact CD2-CG1 4.13Å; L41-V67 HydrophobicContact CD2-CG2 4.08Å; V53-V67 WeakPolarHBondContact CA-O 3.24Å; F54-V67 PolarHBondContact N-O 3.29Å; F54-V67 PolarHBondContact O-N 2.9Å; A56-V67 HydrophobicContact CB-CB 4.47Å; A56-V67 HydrophobicContact CB-CG2 3.58Å; V65-V67 HydrophobicContact CG2-CG2 4.39Å; V67-I69 HydrophobicContact CG1-CG1 3.97Å; V67-A110 HydrophobicContact CG1-CB 3.85Å; V67-V112 HydrophobicContact CG2-CG2 4.41Å
68K98Very high95.8Very high15 Ų1571.9 Ų71.97%0.06536%0.359CS..EExtended strand (participates in β ladder)trans-97.497173.1-177-176.8-175.41790109S51 E52 V53 L70 E81 A110 L111 F113 D175S51-K68 WeakPolarHBondContact OG-CE 3.34Å; E52-K68 CarbonylContact O-C 3.54Å; E52-K68 WeakPolarHBondContact O-CA 3.34Å; V53-K68 HydrophobicContact CG2-CB 4.43Å; V53-K68 HydrophobicContact CG2-CG 4.16Å; K68-L70 HydrophobicContact CD-CD2 4.1Å; K68-L70 HydrophobicContact CG-CD2 4Å; K68-L70 PolarHBondContact O-N 3.39Å; K68-E81 IonicContact NZ-OE1 3.49Å; K68-E81 PolarHBondContact NZ-OE1 3.47Å; K68-E81 IonicContact NZ-OE2 3.96Å; K68-A110 VanDerWaalsContact O-CA 3.28Å; K68-A110 WeakPolarHBondContact O-CA 3.49Å; K68-L111 HydrophobicContact CB-CB 4.42Å; K68-L111 PolarHBondContact N-O 3.01Å; K68-L111 PolarHBondContact O-N 3.38Å; K68-F113 HydrophobicContact CB-CD2 4.33Å; K68-F113 HydrophobicContact CB-CE2 3.82Å; K68-F113 HydrophobicContact CD-CE2 4.08Å; K68-D175 IonicContact NZ-OD1 3.56Å; K68-D175 PolarHBondContact NZ-OD1 3.02Å
69I97.4Very high95.7Very high46 Ų4673.9 Ų73.924%0.23637%0.367CS..EExtended strand (participates in β ladder)trans-75.7122174.6-55-177.5000108.5L41 S51 E52 F54 V67 T108 A110L41-I69 HydrophobicContact CD1-CD1 4.11Å; S51-I69 CarbonylContact C-O 3.59Å; S51-I69 WeakPolarHBondContact CA-O 3.38Å; S51-I69 VanDerWaalsContact CB-O 3.28Å; S51-I69 WeakPolarHBondContact CB-O 3.24Å; E52-I69 PolarHBondContact N-O 3.34Å; E52-I69 PolarHBondContact O-N 2.89Å; F54-I69 HydrophobicContact CD2-CD1 3.93Å; F54-I69 HydrophobicContact CD2-CG1 4.18Å; F54-I69 HydrophobicContact CE2-CD1 3.72Å; F54-I69 HydrophobicContact CE2-CG1 4.22Å; V67-I69 HydrophobicContact CG1-CG1 3.97Å; I69-T108 HydrophobicContact CG2-CG2 3.69Å; I69-A110 HydrophobicContact CG1-CB 4.18Å
70L95.8Very high95.8Very high7 Ų770.4 Ų70.44%0.03735%0.348CS..EExtended strand (participates in β ladder)trans-87128.9-176.9-55.1179.8000110.3K68 I78 T108 P109 L111K68-L70 HydrophobicContact CD-CD2 4.1Å; K68-L70 HydrophobicContact CG-CD2 4Å; K68-L70 PolarHBondContact O-N 3.39Å; L70-I78 HydrophobicContact CD1-CB 4.38Å; L70-I78 HydrophobicContact CD1-CD1 4.49Å; L70-I78 HydrophobicContact CD1-CG1 3.97Å; L70-I78 HydrophobicContact CD1-CG2 3.76Å; L70-T108 WeakPolarHBondContact O-CG2 3.44Å; L70-P109 HydrophobicContact CB-CG 4.23Å; L70-P109 WeakPolarHBondContact CB-O 3.42Å; L70-P109 HydrophobicContact CD1-CG 4.3Å; L70-P109 PolarHBondContact N-O 2.96Å; L70-L111 HydrophobicContact CD1-CD1 4.38Å; L70-L111 HydrophobicContact CD1-CG 4.17Å; L70-L111 HydrophobicContact CD2-CD1 4.5Å
71K93.6Very high95.9Very high55 Ų5566.5 Ų66.524%0.23932%0.324CS..PPolyproline II helixtrans-70.1162.1172-67.2178-179.5171.30110.1G48 K49 Y50 V73G48-K71 PolarHBondContact O-NZ 3Å; K49-K71 WeakPolarHBondContact O-CD 3.48Å; Y50-K71 WeakPolarHBondContact O-CB 3.24Å; Y50-K71 PolarHBondContact O-N 3.1Å; K71-V73 PolarHBondContact O-N 3.13Å
72P92.1Very high95.9Very high139 Ų13962.6 Ų62.690%0.90330%0.303SS*.SBendtrans-54.4106.5176.5-27.335.8000112.3
73V90.2Very high96Very high44 Ų4457.5 Ų57.527%0.26728%0.275SS..  trans-133.8163.4175.6-650000109.6Y50 K71 K75 I78Y50-V73 HydrophobicContact CD1-CG1 3.68Å; Y50-V73 HydrophobicContact CE1-CG1 4.5Å; Y50-V73 HydrophobicContact CG-CG1 4.42Å; K71-V73 PolarHBondContact O-N 3.13Å; V73-K75 PolarHBondContact O-N 3.26Å; V73-I78 HydrophobicContact CG2-CD1 3.86Å; V73-I78 HydrophobicContact CG2-CG1 3.61Å
74K92.4Very high96.1Very high166 Ų16652.6 Ų52.672%0.72225%0.251SS*.  trans-55.6130.4177.5-66.2-173.5177.3-1740110.3K76 K77K74-K76 PolarHBondContact O-N 3.03Å; K74-K76 VanDerWaalsContact O-N 3.07Å; K74-K77 WeakPolarHBondContact O-CB 3.48Å; K74-K77 PolarHBondContact O-N 3.1Å
75K92.8Very high96.1Very high172 Ų17247 Ų4775%0.74823%0.227SC*.Hα-helixtrans-48.9-38.8179.2-69.5-178.5179.9175.50113.2V73 K77 I78 K79V73-K75 PolarHBondContact O-N 3.26Å; K75-K77 VanDerWaalsContact C-N 3.25Å; K75-K77 PolarHBondContact O-N 3.32Å; K75-I78 PolarHBondContact O-N 3.09Å; K75-I78 VanDerWaalsContact O-N 3.07Å; K75-K79 PolarHBondContact O-N 3.26Å
76K94.4Very high96.1Very high92 Ų9250.1 Ų50.140%0.424%0.242SC..Hα-helixtrans-51.2-40.5174.9179.9172.1177.6168.70113Y26 E27 K74 R80Y26-K76 HydrophobicContact CD2-CG 4.31Å; Y26-K76 HydrophobicContact CE2-CD 4.17Å; Y26-K76 VanDerWaalsContact CE2-CE 3.46Å; Y26-K76 HydrophobicContact CE2-CG 3.57Å; Y26-K76 VanDerWaalsContact OH-CE 3.23Å; Y26-K76 WeakPolarHBondContact OH-CE 3.46Å; E27-K76 HydrophobicContact CG-CD 3.98Å; E27-K76 HydrophobicContact CG-CG 4.01Å; E27-K76 WeakPolarHBondContact OE1-CD 3.42Å; E27-K76 WeakPolarHBondContact OE1-CE 3.37Å; E27-K76 IonicContact OE1-NZ 3.73Å; E27-K76 PolarHBondContact OE1-NZ 3.25Å; K74-K76 PolarHBondContact O-N 3.03Å; K74-K76 VanDerWaalsContact O-N 3.07Å; K76-R80 WeakPolarHBondContact O-CB 3.46Å; K76-R80 PolarHBondContact O-N 3.18Å; K76-R80 VanDerWaalsContact O-N 3.08Å
77K94.8Very high96.1Very high83 Ų8350.2 Ų50.236%0.36124%0.241SC..Hα-helixtrans-70.2-38.2178.6-72.5-179.4168.2-76.10112.5K74 K75 R80 E81K74-K77 WeakPolarHBondContact O-CB 3.48Å; K74-K77 PolarHBondContact O-N 3.1Å; K75-K77 VanDerWaalsContact C-N 3.25Å; K75-K77 PolarHBondContact O-N 3.32Å; K77-R80 PolarHBondContact O-N 3.02Å; K77-E81 PolarHBondContact O-N 2.81Å; K77-E81 VanDerWaalsContact O-N 3.14Å
78I95.2Very high96.1Very high19 Ų1950 Ų5010%0.09724%0.24CC..Hα-helixtrans-66.3-50.3178.6-60.1167.5000109.5L70 V73 K75 R80 E81 I82 P109L70-I78 HydrophobicContact CD1-CB 4.38Å; L70-I78 HydrophobicContact CD1-CD1 4.49Å; L70-I78 HydrophobicContact CD1-CG1 3.97Å; L70-I78 HydrophobicContact CD1-CG2 3.76Å; V73-I78 HydrophobicContact CG2-CD1 3.86Å; V73-I78 HydrophobicContact CG2-CG1 3.61Å; K75-I78 PolarHBondContact O-N 3.09Å; K75-I78 VanDerWaalsContact O-N 3.07Å; I78-R80 VanDerWaalsContact C-N 3.28Å; I78-R80 PolarHBondContact O-N 3.36Å; I78-E81 PolarHBondContact O-N 2.96Å; I78-I82 HydrophobicContact CG2-CD1 3.79Å; I78-I82 WeakPolarHBondContact O-CG1 3.26Å; I78-I82 PolarHBondContact O-N 3.01Å; I78-P109 HydrophobicContact CD1-CG 3.87Å
79K97.2Very high96.1Very high58 Ų5856.2 Ų56.225%0.25226%0.263SS..Hα-helixtrans-59.8-38.5177.5-66.5-168.2175.9-163.30112.4Y26 E27 H29 V31 K75 K83Y26-K79 WeakPolarHBondContact O-CB 3.4Å; Y26-K79 VanDerWaalsContact O-CD 3.3Å; Y26-K79 WeakPolarHBondContact O-CD 3.19Å; E27-K79 PolarHBondContact O-NZ 3.34Å; H29-K79 WeakPolarHBondContact O-CD 3.35Å; H29-K79 WeakPolarHBondContact O-CE 2.98Å; H29-K79 PolarHBondContact O-NZ 3.28Å; V31-K79 HydrophobicContact CG2-CG 4.49Å; K75-K79 PolarHBondContact O-N 3.26Å; K79-K83 WeakPolarHBondContact O-CB 3.26Å; K79-K83 PolarHBondContact O-N 3.21Å
80R98Very high96.1Very high16 Ų1657.5 Ų57.56%0.0629%0.287CS..Hα-helixtrans-59.7-50.3175.6-173.3-177.362.5-172.68.7112.2Y26 K76 K77 I78 K83 I84 G177 A179 E180Y26-R80 HydrophobicContact CD1-CB 4.25Å; Y26-R80 HydrophobicContact CD1-CG 3.93Å; Y26-R80 HydrophobicContact CD2-CB 3.55Å; Y26-R80 HydrophobicContact CD2-CG 4.12Å; Y26-R80 HydrophobicContact CE1-CB 4.36Å; Y26-R80 HydrophobicContact CE1-CG 3.85Å; Y26-R80 HydrophobicContact CE2-CB 3.66Å; Y26-R80 HydrophobicContact CE2-CG 4.02Å; Y26-R80 HydrophobicContact CG-CB 3.85Å; Y26-R80 HydrophobicContact CG-CG 4.06Å; K76-R80 WeakPolarHBondContact O-CB 3.46Å; K76-R80 PolarHBondContact O-N 3.18Å; K76-R80 VanDerWaalsContact O-N 3.08Å; K77-R80 PolarHBondContact O-N 3.02Å; I78-R80 VanDerWaalsContact C-N 3.28Å; I78-R80 PolarHBondContact O-N 3.36Å; R80-K83 PolarHBondContact O-N 3.05Å; R80-I84 HydrophobicContact CG-CD1 3.89Å; R80-I84 WeakPolarHBondContact O-CB 3.38Å; R80-I84 WeakPolarHBondContact O-CG1 3.21Å; R80-I84 PolarHBondContact O-N 3.4Å; R80-G177 PolarHBondContact NH2-O 3.5Å; R80-A179 WeakPolarHBondContact CD-O 2.89Å; R80-A179 PolarHBondContact NE-O 3.22Å; R80-E180 WeakPolarHBondContact CD-OE1 3.34Å; R80-E180 WeakPolarHBondContact CD-OE2 3.4Å; R80-E180 IonicContact CZ-OE2 3.31Å; R80-E180 IonicContact NE-OE2 2.81Å; R80-E180 IonicContact NH1-OE2 2.91Å; R80-E180 PolarHBondContact NH1-OE2 2.85Å
81E97.9Very high96.2Very high13 Ų1357.5 Ų57.56%0.06129%0.289CS..Hα-helixtrans-61.6-46-179.9-177170.8-178.900111.2K68 K77 I78 I84 L85 L111 G177K68-E81 IonicContact NZ-OE1 3.49Å; K68-E81 PolarHBondContact NZ-OE1 3.47Å; K68-E81 IonicContact NZ-OE2 3.96Å; K77-E81 PolarHBondContact O-N 2.81Å; K77-E81 VanDerWaalsContact O-N 3.14Å; I78-E81 PolarHBondContact O-N 2.96Å; E81-I84 PolarHBondContact O-N 3.06Å; E81-L85 HydrophobicContact CG-CD1 3.9Å; E81-L85 WeakPolarHBondContact O-CB 3.05Å; E81-L85 WeakPolarHBondContact O-CD1 3.33Å; E81-L85 VanDerWaalsContact O-CG 3.32Å; E81-L85 WeakPolarHBondContact O-CG 3.45Å; E81-L85 PolarHBondContact O-N 2.79Å; E81-L111 HydrophobicContact CG-CD1 4.05Å; E81-G177 VanDerWaalsContact CD-CA 3.48Å; E81-G177 WeakPolarHBondContact OE2-CA 3.48Å
82I98Very high96.4Very high0 Ų057.6 Ų57.60%030%0.296CS..Hα-helixtrans-57.5-54.6175.3-71.5166.6000110.8V31 I78 I84 L85 E86 I100 L111V31-I82 HydrophobicContact CG1-CD1 4.02Å; V31-I82 HydrophobicContact CG2-CD1 3.81Å; V31-I82 HydrophobicContact CG2-CG2 4.39Å; I78-I82 HydrophobicContact CG2-CD1 3.79Å; I78-I82 WeakPolarHBondContact O-CG1 3.26Å; I78-I82 PolarHBondContact O-N 3.01Å; I82-I84 VanDerWaalsContact C-N 3.28Å; I82-I84 PolarHBondContact O-N 3.35Å; I82-L85 PolarHBondContact O-N 2.86Å; I82-L85 VanDerWaalsContact O-N 3.08Å; I82-E86 HydrophobicContact CG2-CG 4.29Å; I82-E86 WeakPolarHBondContact O-CG 3.44Å; I82-E86 PolarHBondContact O-N 3.37Å; I82-I100 HydrophobicContact CB-CD1 4.41Å; I82-I100 HydrophobicContact CD1-CD1 4.3Å; I82-I100 HydrophobicContact CD1-CG2 3.85Å; I82-I100 HydrophobicContact CG1-CD1 4.16Å; I82-I100 HydrophobicContact CG1-CG1 4.49Å; I82-I100 HydrophobicContact CG1-CG2 4.47Å; I82-I100 HydrophobicContact CG2-CD1 3.45Å; I82-I100 VanDerWaalsContact CG2-CD1 3.45Å; I82-L111 HydrophobicContact CD1-CD2 4.07Å; I82-L111 HydrophobicContact CG1-CD2 3.67Å
83K98.3Very high96.7Very high27 Ų2752 Ų5212%0.11726%0.258CS..Hα-helixtrans-61.1-38.4-175.3-176.353.6174.51630112.3E22 Y23 K79 R80 N87 F181E22-K83 WeakPolarHBondContact O-CE 3.38Å; E22-K83 PolarHBondContact O-NZ 3.05Å; Y23-K83 WeakPolarHBondContact O-CE 3.19Å; K79-K83 WeakPolarHBondContact O-CB 3.26Å; K79-K83 PolarHBondContact O-N 3.21Å; R80-K83 PolarHBondContact O-N 3.05Å; K83-N87 WeakPolarHBondContact CE-OD1 3.22Å; K83-N87 PolarHBondContact NZ-OD1 3.13Å; K83-N87 VanDerWaalsContact NZ-OD1 3.09Å; K83-N87 WeakPolarHBondContact O-CB 3.32Å; K83-N87 PolarHBondContact O-N 3.14Å; K83-N87 PolarHBondContact O-OD1 2.9Å; K83-F181 HydrophobicContact CG-CE2 4.4Å; K83-F181 HydrophobicContact CG-CZ 4.21Å
84I98.7Very high97.1Very high0 Ų050.1 Ų50.10%025%0.247CC..Hα-helixtrans-64.6-48.5174.4-76.2174.3000110.8R80 E81 I82 E86 N87 L88 I152 W176 A179 F181R80-I84 HydrophobicContact CG-CD1 3.89Å; R80-I84 WeakPolarHBondContact O-CB 3.38Å; R80-I84 WeakPolarHBondContact O-CG1 3.21Å; R80-I84 PolarHBondContact O-N 3.4Å; E81-I84 PolarHBondContact O-N 3.06Å; I82-I84 VanDerWaalsContact C-N 3.28Å; I82-I84 PolarHBondContact O-N 3.35Å; I84-E86 VanDerWaalsContact C-N 3.33Å; I84-E86 PolarHBondContact O-N 3.32Å; I84-N87 PolarHBondContact O-N 3.45Å; I84-L88 HydrophobicContact CG2-CD1 3.74Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CB 3.47Å; I84-L88 VanDerWaalsContact O-CG 3.26Å; I84-L88 WeakPolarHBondContact O-CG 3.36Å; I84-L88 PolarHBondContact O-N 3.47Å; I84-I152 HydrophobicContact CD1-CG2 4.22Å; I84-I152 HydrophobicContact CG1-CD1 4.32Å; I84-I152 HydrophobicContact CG1-CG1 4.42Å; I84-I152 HydrophobicContact CG1-CG2 4.42Å; I84-I152 HydrophobicContact CG2-CD1 4.22Å; I84-I152 HydrophobicContact CG2-CG2 3.92Å; I84-W176 HydrophobicContact CG2-CB 4.19Å; I84-W176 HydrophobicContact CG2-CD2 4.27Å; I84-W176 HydrophobicContact CG2-CE3 3.77Å; I84-W176 HydrophobicContact CG2-CG 4.47Å; I84-A179 HydrophobicContact CD1-CB 3.66Å; I84-A179 HydrophobicContact CG2-CB 4.15Å; I84-F181 HydrophobicContact CD1-CD2 4.44Å; I84-F181 HydrophobicContact CD1-CE2 4.17Å; I84-F181 HydrophobicContact CG1-CD2 4.24Å; I84-F181 HydrophobicContact CG1-CE1 4.45Å; I84-F181 HydrophobicContact CG1-CE2 3.54Å; I84-F181 HydrophobicContact CG1-CZ 3.66Å
85L98.5Very high97.4Very high3 Ų342.7 Ų42.72%0.01621%0.214CC..Hα-helixtrans-62.1-39.2179.4-76.8164.7000112.6E81 I82 L88 R89 I95 L97 L111 F113 W176E81-L85 HydrophobicContact CG-CD1 3.9Å; E81-L85 WeakPolarHBondContact O-CB 3.05Å; E81-L85 WeakPolarHBondContact O-CD1 3.33Å; E81-L85 VanDerWaalsContact O-CG 3.32Å; E81-L85 WeakPolarHBondContact O-CG 3.45Å; E81-L85 PolarHBondContact O-N 2.79Å; I82-L85 PolarHBondContact O-N 2.86Å; I82-L85 VanDerWaalsContact O-N 3.08Å; L85-L88 PolarHBondContact O-N 3.43Å; L85-R89 PolarHBondContact O-N 3.1Å; L85-I95 HydrophobicContact CD2-CG2 4.07Å; L85-L97 HydrophobicContact CB-CB 3.98Å; L85-L97 HydrophobicContact CB-CD2 3.74Å; L85-L97 HydrophobicContact CB-CG 4.47Å; L85-L97 HydrophobicContact CD1-CB 4.36Å; L85-L97 HydrophobicContact CD1-CD1 4.34Å; L85-L97 HydrophobicContact CD1-CD2 4.11Å; L85-L111 HydrophobicContact CD1-CD1 4.21Å; L85-F113 HydrophobicContact CD1-CE1 3.63Å; L85-F113 HydrophobicContact CD1-CZ 3.78Å; L85-F113 HydrophobicContact CD2-CE1 4Å; L85-F113 HydrophobicContact CG-CE1 4.47Å; L85-W176 HydrophobicContact CD2-CB 4.23Å; L85-W176 VanDerWaalsContact CD2-CD1 3.44Å; L85-W176 HydrophobicContact CD2-CG 3.9Å; L85-W176 HydrophobicContact CG-CB 4.24Å; L85-W176 HydrophobicContact CG-CG 4.4Å
86E97.9Very high97.7Very high71 Ų7136.8 Ų36.833%0.33219%0.193SC..Hα-helixtrans-62.2-48.7173.3-72.7177.9167.400111.7H29 I82 I84 L88 R89H29-E86 IonicContact CE1-OE1 2.76Å; H29-E86 IonicContact CE1-OE2 2.73Å; H29-E86 PolarHBondContact CE1-OE2 3.02Å; H29-E86 IonicContact ND1-OE2 3.5Å; H29-E86 IonicContact NE2-OE1 3.32Å; H29-E86 IonicContact NE2-OE2 2.66Å; H29-E86 PolarHBondContact NE2-OE2 3.41Å; I82-E86 HydrophobicContact CG2-CG 4.29Å; I82-E86 WeakPolarHBondContact O-CG 3.44Å; I82-E86 PolarHBondContact O-N 3.37Å; I84-E86 VanDerWaalsContact C-N 3.33Å; I84-E86 PolarHBondContact O-N 3.32Å; E86-L88 PolarHBondContact O-N 3.15Å; E86-R89 VanDerWaalsContact O-CB 3.27Å; E86-R89 WeakPolarHBondContact O-CB 3.33Å; E86-R89 PolarHBondContact O-N 3.5Å
87N98.3Very high97.9Very high23 Ų2332.8 Ų32.812%0.12318%0.176CC..Hα-helixtrans-64.3-29.7179.4-72.1-1.7000112.2Y23 K83 I84 M150 I152 F181Y23-N87 HydrophobicContact CE2-CB 4.06Å; Y23-N87 WeakPolarHBondContact CE2-ND2 3.48Å; Y23-N87 PolarHBondContact O-ND2 3.14Å; K83-N87 WeakPolarHBondContact CE-OD1 3.22Å; K83-N87 PolarHBondContact NZ-OD1 3.13Å; K83-N87 VanDerWaalsContact NZ-OD1 3.09Å; K83-N87 WeakPolarHBondContact O-CB 3.32Å; K83-N87 PolarHBondContact O-N 3.14Å; K83-N87 PolarHBondContact O-OD1 2.9Å; I84-N87 PolarHBondContact O-N 3.45Å; N87-M150 WeakPolarHBondContact O-CE 3.41Å; N87-I152 HydrophobicContact CB-CD1 4.42Å; N87-F181 WeakPolarHBondContact ND2-CE1 3.32Å; N87-F181 WeakPolarHBondContact ND2-CZ 2.96Å
88L98.6Very high98Very high0 Ų031.1 Ų31.10%018%0.178CC..THydrogen-bonded Turntrans-91.6-1.5179.4-63.3177.6000114I84 L85 E86 G90 G91 I94 Y146 C147 M150 I152 W176I84-L88 HydrophobicContact CG2-CD1 3.74Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CB 3.47Å; I84-L88 VanDerWaalsContact O-CG 3.26Å; I84-L88 WeakPolarHBondContact O-CG 3.36Å; I84-L88 PolarHBondContact O-N 3.47Å; L85-L88 PolarHBondContact O-N 3.43Å; E86-L88 PolarHBondContact O-N 3.15Å; L88-G90 PolarHBondContact O-N 2.85Å; L88-G91 PolarHBondContact O-N 2.97Å; L88-I94 HydrophobicContact CB-CG2 3.97Å; L88-I94 HydrophobicContact CD1-CG2 4.5Å; L88-Y146 HydrophobicContact CB-CE1 4.34Å; L88-Y146 HydrophobicContact CD2-CD1 4.06Å; L88-Y146 HydrophobicContact CD2-CE1 3.88Å; L88-C147 HydrophobicContact CD1-CB 3.97Å; L88-C147 HydrophobicContact CD2-CB 3.82Å; L88-M150 HydrophobicContact CD2-CB 3.74Å; L88-M150 HydrophobicContact CD2-CG 4.05Å; L88-I152 HydrophobicContact CD1-CD1 4.17Å; L88-I152 HydrophobicContact CD1-CG2 4.4Å; L88-I152 HydrophobicContact CD2-CD1 3.73Å; L88-I152 HydrophobicContact CG-CD1 3.79Å; L88-W176 HydrophobicContact CD1-CD2 3.96Å; L88-W176 HydrophobicContact CD1-CE3 3.51Å; L88-W176 HydrophobicContact CD1-CH2 3.54Å; L88-W176 HydrophobicContact CD1-CZ2 3.97Å; L88-W176 HydrophobicContact CD1-CZ3 3.28Å
89R97.5Very high98.1Very high147 Ų14732.2 Ų32.256%0.55518%0.183SC*.THydrogen-bonded Turntrans-54.7133.3-179.7-178.4-179.7-102.3-146.1-0.1110.6L85 E86 G91 L97 A98L85-R89 PolarHBondContact O-N 3.1Å; E86-R89 VanDerWaalsContact O-CB 3.27Å; E86-R89 WeakPolarHBondContact O-CB 3.33Å; E86-R89 PolarHBondContact O-N 3.5Å; R89-G91 VanDerWaalsContact C-N 3.26Å; R89-G91 PolarHBondContact O-N 3.32Å; R89-L97 PolarHBondContact NH2-O 3.34Å; R89-A98 PolarHBondContact NH2-O 2.66Å
90G97.3Very high98.1Very high72 Ų7230 Ų3074%0.74217%0.174SC*.THydrogen-bonded Turntrans81.7-2.5-177.700000114.8L88L88-G90 PolarHBondContact O-N 2.85Å
91G98.3Very high98.1Very high8 Ų829.3 Ų29.38%0.08217%0.172CC..  trans-63.5144.9174.300000113.4L88 R89 N93 I94 Y146L88-G91 PolarHBondContact O-N 2.97Å; R89-G91 VanDerWaalsContact C-N 3.26Å; R89-G91 PolarHBondContact O-N 3.32Å; G91-N93 PolarHBondContact O-N 2.96Å; G91-I94 PolarHBondContact O-N 3.05Å; G91-Y146 VanDerWaalsContact CA-CZ 3.44Å
92P98.4Very high98Very high57 Ų5730.7 Ų30.737%0.3718%0.178SC..THydrogen-bonded Turntrans-59.3126.1177.626.7-35.1000110.5I94 K142 A143 Y146P92-I94 PolarHBondContact O-N 2.85Å; P92-K142 HydrophobicContact CB-CB 4.27Å; P92-K142 HydrophobicContact CG-CB 4.35Å; P92-A143 WeakPolarHBondContact O-CA 3.28Å; P92-Y146 HydrophobicContact CG-CD2 4.42Å; P92-Y146 HydrophobicContact CG-CG 4.21Å
93N98.6Very high97.7Very high21 Ų2132.5 Ų32.511%0.11219%0.188CC..THydrogen-bonded Turntrans57.918.8177-54.4-37.4000114.9G91 E139 A143 L171 R172 L173G91-N93 PolarHBondContact O-N 2.96Å; N93-E139 WeakPolarHBondContact ND2-CB 3.5Å; N93-E139 PolarHBondContact ND2-O 2.8Å; N93-E139 PolarHBondContact ND2-OE2 3.48Å; N93-A143 HydrophobicContact CB-CB 4.12Å; N93-L171 HydrophobicContact CB-CD2 4.01Å; N93-L171 WeakPolarHBondContact CB-O 3.41Å; N93-L171 PolarHBondContact OD1-O 3.04Å; N93-R172 CarbonylContact O-C 3.6Å; N93-R172 WeakPolarHBondContact O-CA 3.41Å; N93-L173 PolarHBondContact O-N 3.35Å
94I98.7Very high97.4Very high5 Ų535 Ų353%0.02621%0.207CC..BIsolated β-bridgetrans-87.7136.5168.6-52.4-65.2000108.5L88 G91 P92 T96 A143 Y146 R172 W176L88-I94 HydrophobicContact CB-CG2 3.97Å; L88-I94 HydrophobicContact CD1-CG2 4.5Å; G91-I94 PolarHBondContact O-N 3.05Å; P92-I94 PolarHBondContact O-N 2.85Å; I94-T96 PolarHBondContact O-N 3.08Å; I94-A143 HydrophobicContact CD1-CB 3.82Å; I94-Y146 HydrophobicContact CD1-CD1 4.44Å; I94-Y146 HydrophobicContact CG1-CD1 3.95Å; I94-Y146 HydrophobicContact CG1-CE1 4.45Å; I94-R172 WeakPolarHBondContact O-CD 3.25Å; I94-W176 HydrophobicContact CD1-CH2 3.72Å; I94-W176 HydrophobicContact CD1-CZ2 3.42Å; I94-W176 VanDerWaalsContact CD1-CZ2 3.42Å; I94-W176 HydrophobicContact CG2-CZ2 3.92Å
95I98.5Very high97.1Very high9 Ų941.4 Ų41.45%0.04625%0.245CC..PPolyproline II helixtrans-60.8132.2174.4-165.870.1000111.6L85 L97 F113 E114 V116 R172 L173 I174L85-I95 HydrophobicContact CD2-CG2 4.07Å; I95-L97 PolarHBondContact O-N 2.99Å; I95-F113 HydrophobicContact CG1-CB 4.1Å; I95-F113 HydrophobicContact CG1-CD1 3.87Å; I95-F113 HydrophobicContact CG1-CG 4.28Å; I95-F113 HydrophobicContact CG2-CD1 4.09Å; I95-F113 HydrophobicContact CG2-CE1 4.18Å; I95-E114 HydrophobicContact CD1-CG 3.47Å; I95-E114 VanDerWaalsContact CD1-CG 3.47Å; I95-E114 HydrophobicContact CG1-CG 4.31Å; I95-V116 HydrophobicContact CD1-CG2 3.94Å; I95-R172 HydrophobicContact CB-CB 4.43Å; I95-R172 HydrophobicContact CD1-CB 3.96Å; I95-R172 HydrophobicContact CD1-CG 4Å; I95-L173 WeakPolarHBondContact CG2-O 3.48Å; I95-L173 PolarHBondContact N-O 3.19Å; I95-I174 HydrophobicContact CB-CG2 3.86Å; I95-I174 HydrophobicContact CD1-CG2 3.98Å; I95-I174 HydrophobicContact CG1-CG2 3.96Å; I95-I174 HydrophobicContact CG2-CB 4.42Å; I95-I174 HydrophobicContact CG2-CG2 4.25Å
96T97.9Very high96.8Very high49 Ų4944.6 Ų44.630%0.30127%0.268SS..PPolyproline II helixtrans-81.1117.3179.2-53.70000110.3I94 A98 F113 E114I94-T96 PolarHBondContact O-N 3.08Å; T96-A98 PolarHBondContact O-N 3.45Å; T96-F113 VanDerWaalsContact O-CA 3.31Å; T96-F113 WeakPolarHBondContact O-CA 3.39Å; T96-E114 VanDerWaalsContact CB-OE1 3.23Å; T96-E114 WeakPolarHBondContact CB-OE1 3.49Å; T96-E114 PolarHBondContact N-OE1 3.26Å; T96-E114 PolarHBondContact O-N 2.86Å; T96-E114 VanDerWaalsContact O-N 3.13Å; T96-E114 PolarHBondContact OG1-OE1 3.11Å
97L98.2Very high96.5Very high8 Ų848.2 Ų48.24%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-75.1108.8163.7178.968.1000108.2L85 R89 I95 D99 I100 L111 F113L85-L97 HydrophobicContact CB-CB 3.98Å; L85-L97 HydrophobicContact CB-CD2 3.74Å; L85-L97 HydrophobicContact CB-CG 4.47Å; L85-L97 HydrophobicContact CD1-CB 4.36Å; L85-L97 HydrophobicContact CD1-CD1 4.34Å; L85-L97 HydrophobicContact CD1-CD2 4.11Å; R89-L97 PolarHBondContact NH2-O 3.34Å; I95-L97 PolarHBondContact O-N 2.99Å; L97-D99 WeakPolarHBondContact CD1-O 3.36Å; L97-I100 HydrophobicContact CD1-CG1 4.32Å; L97-I100 HydrophobicContact CD2-CD1 4.05Å; L97-I100 HydrophobicContact CD2-CG1 3.89Å; L97-I100 HydrophobicContact CG-CG1 4.32Å; L97-L111 HydrophobicContact CD1-CB 3.86Å; L97-L111 HydrophobicContact CD1-CD2 4.34Å; L97-F113 HydrophobicContact CB-CD1 4.35Å; L97-F113 HydrophobicContact CB-CE1 4.17Å; L97-F113 HydrophobicContact CD1-CD1 4.25Å; L97-F113 HydrophobicContact CD1-CE1 3.84Å; L97-F113 HydrophobicContact CD1-CZ 4.07Å
98A97.2Very high96.3Very high48 Ų4849.3 Ų49.340%0.39729%0.286SS..EExtended strand (participates in β ladder)trans-80.3-47.5-177.900000111.5R89 T96 V112R89-A98 PolarHBondContact NH2-O 2.66Å; T96-A98 PolarHBondContact O-N 3.45Å; A98-V112 HydrophobicContact CB-CG1 4.42Å; A98-V112 PolarHBondContact N-O 2.84Å
99D97.6Very high96.2Very high41 Ų4150.2 Ų50.222%0.21929%0.292CS..EExtended strand (participates in β ladder)trans-152.4164.5-177.7-164.714.3000111.8Y39 L97 V101 V112Y39-D99 HydrophobicContact CE2-CB 4.42Å; Y39-D99 VanDerWaalsContact OH-CB 3.23Å; Y39-D99 WeakPolarHBondContact OH-CB 3.11Å; Y39-D99 PolarHBondContact OH-OD2 2.88Å; L97-D99 WeakPolarHBondContact CD1-O 3.36Å; D99-V101 VanDerWaalsContact OD2-CG1 3.31Å; D99-V101 WeakPolarHBondContact OD2-CG1 3.36Å; D99-V112 HydrophobicContact CB-CB 4.09Å; D99-V112 HydrophobicContact CB-CG2 4.23Å; D99-V112 PolarHBondContact N-O 3.12Å; D99-V112 PolarHBondContact O-N 3.22Å
100I97.7Very high96.3Very high12 Ų1243.3 Ų43.36%0.06227%0.266CS..EExtended strand (participates in β ladder)trans-128.7107.8178.3-54.1161000107.5V31 W33 G34 I82 L97 L111V31-I100 HydrophobicContact CG1-CB 4.38Å; V31-I100 HydrophobicContact CG1-CD1 4.2Å; V31-I100 HydrophobicContact CG1-CG2 3.68Å; W33-I100 CarbonylContact C-O 3.19Å; W33-I100 WeakPolarHBondContact CA-O 3.47Å; W33-I100 HydrophobicContact CE3-CG2 3.72Å; W33-I100 HydrophobicContact CH2-CG2 4.4Å; W33-I100 HydrophobicContact CZ3-CG2 3.58Å; G34-I100 PolarHBondContact N-O 3.18Å; I82-I100 HydrophobicContact CB-CD1 4.41Å; I82-I100 HydrophobicContact CD1-CD1 4.3Å; I82-I100 HydrophobicContact CD1-CG2 3.85Å; I82-I100 HydrophobicContact CG1-CD1 4.16Å; I82-I100 HydrophobicContact CG1-CG1 4.49Å; I82-I100 HydrophobicContact CG1-CG2 4.47Å; I82-I100 HydrophobicContact CG2-CD1 3.45Å; I82-I100 VanDerWaalsContact CG2-CD1 3.45Å; L97-I100 HydrophobicContact CD1-CG1 4.32Å; L97-I100 HydrophobicContact CD2-CD1 4.05Å; L97-I100 HydrophobicContact CD2-CG1 3.89Å; L97-I100 HydrophobicContact CG-CG1 4.32Å; I100-L111 HydrophobicContact CG1-CD2 4.27Å; I100-L111 HydrophobicContact CG2-CD2 3.96Å
101V97.7Very high96.3Very high1 Ų139.9 Ų39.91%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-112.8163.2-174.6-58.90000111.9Q36 Y39 D99 P109 A110 V112Q36-V101 HydrophobicContact CB-CB 4.02Å; Q36-V101 HydrophobicContact CB-CG2 4.09Å; Q36-V101 HydrophobicContact CG-CB 4.47Å; Q36-V101 HydrophobicContact CG-CG2 3.97Å; Y39-V101 HydrophobicContact CD2-CG1 3.88Å; Y39-V101 HydrophobicContact CE2-CG1 3.56Å; D99-V101 VanDerWaalsContact OD2-CG1 3.31Å; D99-V101 WeakPolarHBondContact OD2-CG1 3.36Å; V101-P109 WeakPolarHBondContact O-CA 3.47Å; V101-A110 HydrophobicContact CG2-CB 3.85Å; V101-A110 PolarHBondContact N-O 2.61Å; V101-A110 PolarHBondContact O-N 3.22Å; V101-V112 HydrophobicContact CG1-CG2 4.22Å; V101-V112 HydrophobicContact CG2-CG2 4.13Å
102K95.1Very high96.3Very high43 Ų4339.5 Ų39.519%0.18723%0.227CC..EExtended strand (participates in β ladder)trans-143.9130.5177.5-169.4174.4-174176.40110.8W33 R107 T108W33-K102 HydrophobicContact CD2-CB 3.9Å; W33-K102 HydrophobicContact CD2-CD 3.98Å; W33-K102 HydrophobicContact CE3-CB 3.51Å; W33-K102 HydrophobicContact CE3-CD 4.16Å; W33-K102 HydrophobicContact CE3-CG 4.34Å; W33-K102 HydrophobicContact CG-CB 4.34Å; W33-K102 HydrophobicContact CG-CD 4.5Å; W33-K102 HydrophobicContact CH2-CD 4.41Å; W33-K102 HydrophobicContact CZ2-CD 4.28Å; W33-K102 HydrophobicContact CZ3-CB 4.01Å; W33-K102 HydrophobicContact CZ3-CD 4.34Å; W33-K102 HydrophobicContact CZ3-CG 4.49Å; K102-R107 WeakPolarHBondContact CE-O 3.43Å; K102-T108 WeakPolarHBondContact CA-O 3.43Å
103D93.3Very high96.3Very high38 Ų3837.6 Ų37.620%0.20321%0.212CC..  trans-59.7123.7175.1-172.7-94.9000109.6Q36 V105 S106 R107 T108Q36-D103 PolarHBondContact NE2-OD2 2.77Å; Q36-D103 VanDerWaalsContact OE1-CB 3.27Å; D103-V105 PolarHBondContact O-N 2.85Å; D103-V105 PolarHBondContact OD1-N 3.27Å; D103-S106 WeakPolarHBondContact CB-OG 3.32Å; D103-S106 WeakPolarHBondContact OD1-CA 3.45Å; D103-S106 WeakPolarHBondContact OD1-CB 3.45Å; D103-S106 PolarHBondContact OD1-N 2.96Å; D103-S106 PolarHBondContact OD1-OG 3.47Å; D103-R107 WeakPolarHBondContact O-CA 3.27Å; D103-R107 PolarHBondContact O-N 3.48Å; D103-T108 PolarHBondContact N-O 3.12Å
104P90.4Very high96.3Very high80 Ų8038.5 Ų38.552%0.51922%0.216SC..THydrogen-bonded Turntrans-65.2-29-173.722.6-31.6000112.4
105V92.2Very high96.2Very high133 Ų13340.8 Ų40.881%0.80623%0.227SC*.THydrogen-bonded Turntrans-91.1-62.4-174.9-177.30000111.4D103 R107D103-V105 PolarHBondContact O-N 2.85Å; D103-V105 PolarHBondContact OD1-N 3.27Å; V105-R107 VanDerWaalsContact C-N 3.26Å; V105-R107 PolarHBondContact O-N 2.86Å
106S92.7Very high96.1Very high70 Ų7041.6 Ų41.649%0.4923%0.232SC..THydrogen-bonded Turntrans-74.6-15.2-178.569.60000113.3D103 T108D103-S106 WeakPolarHBondContact CB-OG 3.32Å; D103-S106 WeakPolarHBondContact OD1-CA 3.45Å; D103-S106 WeakPolarHBondContact OD1-CB 3.45Å; D103-S106 PolarHBondContact OD1-N 2.96Å; D103-S106 PolarHBondContact OD1-OG 3.47Å; S106-T108 PolarHBondContact O-N 3.46Å; S106-T108 WeakPolarHBondContact OG-CB 3.44Å; S106-T108 PolarHBondContact OG-N 2.96Å; S106-T108 PolarHBondContact OG-OG1 3.3Å
107R92.5Very high95.9Very high148 Ų14843.5 Ų43.556%0.55824%0.24SC*.  trans60.522-176.5-54.6-67-72.3167.8-2.3112.6K102 D103 V105K102-R107 WeakPolarHBondContact CE-O 3.43Å; D103-R107 WeakPolarHBondContact O-CA 3.27Å; D103-R107 PolarHBondContact O-N 3.48Å; V105-R107 VanDerWaalsContact C-N 3.26Å; V105-R107 PolarHBondContact O-N 2.86Å
108T94.4Very high95.8Very high46 Ų4646 Ų4628%0.28225%0.253SS..  trans-76.3122.1178.1-54.90000109.7I69 L70 K102 D103 S106I69-T108 HydrophobicContact CG2-CG2 3.69Å; L70-T108 WeakPolarHBondContact O-CG2 3.44Å; K102-T108 WeakPolarHBondContact CA-O 3.43Å; D103-T108 PolarHBondContact N-O 3.12Å; S106-T108 PolarHBondContact O-N 3.46Å; S106-T108 WeakPolarHBondContact OG-CB 3.44Å; S106-T108 PolarHBondContact OG-N 2.96Å; S106-T108 PolarHBondContact OG-OG1 3.3Å
109P96.6Very high95.7Very high19 Ų1946.2 Ų46.212%0.12325%0.25CS..EExtended strand (participates in β ladder)trans-80.8145.217829.5-27.4000111.4W33 L70 I78 V101W33-P109 HydrophobicContact CH2-CB 3.6Å; W33-P109 HydrophobicContact CZ3-CB 3.52Å; L70-P109 HydrophobicContact CB-CG 4.23Å; L70-P109 WeakPolarHBondContact CB-O 3.42Å; L70-P109 HydrophobicContact CD1-CG 4.3Å; L70-P109 PolarHBondContact N-O 2.96Å; I78-P109 HydrophobicContact CD1-CG 3.87Å; V101-P109 WeakPolarHBondContact O-CA 3.47Å
110A97.8Very high95.5Very high1 Ų147.7 Ų47.71%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-134.5147.9171.500000110.8V67 K68 I69 V101V67-A110 HydrophobicContact CG1-CB 3.85Å; K68-A110 VanDerWaalsContact O-CA 3.28Å; K68-A110 WeakPolarHBondContact O-CA 3.49Å; I69-A110 HydrophobicContact CG1-CB 4.18Å; V101-A110 HydrophobicContact CG2-CB 3.85Å; V101-A110 PolarHBondContact N-O 2.61Å; V101-A110 PolarHBondContact O-N 3.22Å
111L98.3Very high95.4Very high0 Ų047.8 Ų47.80%026%0.258CS..EExtended strand (participates in β ladder)trans-107.1131.2176.2-54.7-177.7000108.6K68 L70 E81 I82 L85 L97 I100 F113K68-L111 HydrophobicContact CB-CB 4.42Å; K68-L111 PolarHBondContact N-O 3.01Å; K68-L111 PolarHBondContact O-N 3.38Å; L70-L111 HydrophobicContact CD1-CD1 4.38Å; L70-L111 HydrophobicContact CD1-CG 4.17Å; L70-L111 HydrophobicContact CD2-CD1 4.5Å; E81-L111 HydrophobicContact CG-CD1 4.05Å; I82-L111 HydrophobicContact CD1-CD2 4.07Å; I82-L111 HydrophobicContact CG1-CD2 3.67Å; L85-L111 HydrophobicContact CD1-CD1 4.21Å; L97-L111 HydrophobicContact CD1-CB 3.86Å; L97-L111 HydrophobicContact CD1-CD2 4.34Å; I100-L111 HydrophobicContact CG1-CD2 4.27Å; I100-L111 HydrophobicContact CG2-CD2 3.96Å; L111-F113 HydrophobicContact CB-CD2 4.32Å; L111-F113 HydrophobicContact CB-CE2 3.44Å; L111-F113 VanDerWaalsContact CB-CE2 3.44Å; L111-F113 HydrophobicContact CB-CZ 3.67Å; L111-F113 HydrophobicContact CD1-CE2 4.36Å; L111-F113 HydrophobicContact CD1-CZ 3.93Å; L111-F113 HydrophobicContact CG-CZ 4.46Å
112V98.4Very high95.2Very high0 Ų054.4 Ų54.40%029%0.287CS..EExtended strand (participates in β ladder)trans-105125.5-179.4-173.10000109.1Y39 V65 V66 V67 A98 D99 V101Y39-V112 HydrophobicContact CD1-CG1 4Å; Y39-V112 HydrophobicContact CD1-CG2 4.44Å; Y39-V112 HydrophobicContact CD2-CG2 4.04Å; Y39-V112 HydrophobicContact CE1-CB 4.42Å; Y39-V112 HydrophobicContact CE1-CG1 3.54Å; Y39-V112 HydrophobicContact CE1-CG2 4.24Å; Y39-V112 HydrophobicContact CE2-CG2 3.81Å; Y39-V112 HydrophobicContact CG-CG2 4.33Å; V65-V112 HydrophobicContact CB-CG1 3.86Å; V65-V112 HydrophobicContact CG1-CG1 4.26Å; V65-V112 HydrophobicContact CG2-CG1 3.85Å; V66-V112 CarbonylContact O-C 3.55Å; V66-V112 WeakPolarHBondContact O-CA 3.43Å; V67-V112 HydrophobicContact CG2-CG2 4.41Å; A98-V112 HydrophobicContact CB-CG1 4.42Å; A98-V112 PolarHBondContact N-O 2.84Å; D99-V112 HydrophobicContact CB-CB 4.09Å; D99-V112 HydrophobicContact CB-CG2 4.23Å; D99-V112 PolarHBondContact N-O 3.12Å; D99-V112 PolarHBondContact O-N 3.22Å; V101-V112 HydrophobicContact CG1-CG2 4.22Å; V101-V112 HydrophobicContact CG2-CG2 4.13Å
113F98.6Very high95.1Very high17 Ų1759 Ų598%0.07531%0.309CS..EExtended strand (participates in β ladder)trans-120.7158.6-176.8-60.9-84.2000112.1V65 V66 K68 L85 I95 T96 L97 L111V65-F113 WeakPolarHBondContact CA-O 3.11Å; V65-F113 WeakPolarHBondContact CB-O 3.37Å; V66-F113 HydrophobicContact CB-CB 4.39Å; V66-F113 PolarHBondContact N-O 3.16Å; V66-F113 PolarHBondContact O-N 2.57Å; K68-F113 HydrophobicContact CB-CD2 4.33Å; K68-F113 HydrophobicContact CB-CE2 3.82Å; K68-F113 HydrophobicContact CD-CE2 4.08Å; L85-F113 HydrophobicContact CD1-CE1 3.63Å; L85-F113 HydrophobicContact CD1-CZ 3.78Å; L85-F113 HydrophobicContact CD2-CE1 4Å; L85-F113 HydrophobicContact CG-CE1 4.47Å; I95-F113 HydrophobicContact CG1-CB 4.1Å; I95-F113 HydrophobicContact CG1-CD1 3.87Å; I95-F113 HydrophobicContact CG1-CG 4.28Å; I95-F113 HydrophobicContact CG2-CD1 4.09Å; I95-F113 HydrophobicContact CG2-CE1 4.18Å; T96-F113 VanDerWaalsContact O-CA 3.31Å; T96-F113 WeakPolarHBondContact O-CA 3.39Å; L97-F113 HydrophobicContact CB-CD1 4.35Å; L97-F113 HydrophobicContact CB-CE1 4.17Å; L97-F113 HydrophobicContact CD1-CD1 4.25Å; L97-F113 HydrophobicContact CD1-CE1 3.84Å; L97-F113 HydrophobicContact CD1-CZ 4.07Å; L111-F113 HydrophobicContact CB-CD2 4.32Å; L111-F113 HydrophobicContact CB-CE2 3.44Å; L111-F113 VanDerWaalsContact CB-CE2 3.44Å; L111-F113 HydrophobicContact CB-CZ 3.67Å; L111-F113 HydrophobicContact CD1-CE2 4.36Å; L111-F113 HydrophobicContact CD1-CZ 3.93Å; L111-F113 HydrophobicContact CG-CZ 4.46Å
114E97.5Very high95.3Very high41 Ų4157.4 Ų57.419%0.19230%0.3CS..EExtended strand (participates in β ladder)trans-54143.2165.471.1-17712200110.7I95 T96 R172I95-E114 HydrophobicContact CD1-CG 3.47Å; I95-E114 VanDerWaalsContact CD1-CG 3.47Å; I95-E114 HydrophobicContact CG1-CG 4.31Å; T96-E114 VanDerWaalsContact CB-OE1 3.23Å; T96-E114 WeakPolarHBondContact CB-OE1 3.49Å; T96-E114 PolarHBondContact N-OE1 3.26Å; T96-E114 PolarHBondContact O-N 2.86Å; T96-E114 VanDerWaalsContact O-N 3.13Å; T96-E114 PolarHBondContact OG1-OE1 3.11Å; E114-R172 VanDerWaalsContact CD-NE 3.33Å; E114-R172 IonicContact OE1-CZ 3.54Å; E114-R172 IonicContact OE1-NE 2.74Å; E114-R172 PolarHBondContact OE1-NE 2.9Å; E114-R172 IonicContact OE1-NH2 3.63Å; E114-R172 IonicContact OE2-CZ 3.48Å; E114-R172 IonicContact OE2-NE 3.68Å; E114-R172 PolarHBondContact OE2-NE 3.12Å; E114-R172 VanDerWaalsContact OE2-NE 3.17Å; E114-R172 IonicContact OE2-NH2 2.69Å; E114-R172 PolarHBondContact OE2-NH2 3.08Å
115H97.5Very high95.5Very high53 Ų5354.3 Ų54.325%0.24528%0.279CS..  trans-81.9131.2173.7174-82.3000111.1E55 K64 V66E55-H115 IonicContact OE1-CD2 3.92Å; E55-H115 IonicContact OE1-NE2 2.9Å; E55-H115 PolarHBondContact OE1-NE2 2.61Å; K64-H115 HydrophobicContact CB-CB 4.08Å; K64-H115 VanDerWaalsContact O-CB 3.22Å; K64-H115 WeakPolarHBondContact O-CB 3.26Å; V66-H115 HydrophobicContact CG2-CB 4.41Å
116V96.3Very high95.6Very high26 Ų2652.3 Ų52.316%0.15826%0.26CS..  trans-113.7127.1172.4-175.60000108.8I95 N118 M163 D165 R172I95-V116 HydrophobicContact CD1-CG2 3.94Å; V116-N118 PolarHBondContact O-N 2.97Å; V116-M163 HydrophobicContact CB-CB 4.12Å; V116-M163 HydrophobicContact CG1-CB 3.83Å; V116-M163 HydrophobicContact CG2-CB 4.44Å; V116-D165 HydrophobicContact CG1-CB 4.34Å; V116-R172 HydrophobicContact CG2-CB 4.13Å; V116-R172 HydrophobicContact CG2-CG 3.7Å
117N94.8Very high95.8Very high88 Ų8853.6 Ų53.647%0.47127%0.265SS..  trans-74.371.2175.9-171.832000110.7D165N117-D165 WeakPolarHBondContact O-CA 3.38Å
118N95.3Very high96Very high60 Ų6046.7 Ų46.732%0.32124%0.24SC..PPolyproline II helixtrans-72.3132.1-170.4179.371.2000112.5V116 M163 I164V116-N118 PolarHBondContact O-N 2.97Å; N118-M163 HydrophobicContact CB-CB 4.37Å; N118-M163 HydrophobicContact CB-SD 3.84Å; N118-M163 VanDerWaalsContact CG-SD 3.58Å; N118-M163 VanDerWaalsContact OD1-CA 3.24Å; N118-M163 WeakPolarHBondContact OD1-CA 3.32Å; N118-I164 WeakPolarHBondContact CA-O 3.48Å; N118-I164 PolarHBondContact OD1-N 3.4Å
119T94.3Very high96.1Very high53 Ų5347.9 Ų47.933%0.32525%0.247SC..PPolyproline II helixtrans-88132.4164.1-51.20000109.7F121 L124 I164T119-F121 PolarHBondContact O-N 3.48Å; T119-L124 HydrophobicContact CG2-CB 3.93Å; T119-L124 HydrophobicContact CG2-CD1 4.32Å; T119-I164 PolarHBondContact N-O 3.4Å
120D93.8Very high96.2Very high73 Ų7349 Ų4939%0.3925%0.252SS..PPolyproline II helixtrans-57.4127.7178.9-179.4-92.4000111.2K122 Q123 L124D120-K122 PolarHBondContact O-N 3.3Å; D120-K122 VanDerWaalsContact OD1-CB 3.26Å; D120-K122 WeakPolarHBondContact OD1-CB 3.13Å; D120-K122 PolarHBondContact OD1-N 2.74Å; D120-Q123 PolarHBondContact O-N 3.03Å; D120-Q123 VanDerWaalsContact O-N 3.12Å; D120-L124 WeakPolarHBondContact O-CB 3.24Å; D120-L124 PolarHBondContact O-N 2.73Å
121F95Very high96.2Very high14 Ų1452.2 Ų52.26%0.06126%0.264CS..Hα-helixtrans-63.8-28.8-171.279.8-85.9000113T119 Q123 L124 Y125 P159 H160 E230T119-F121 PolarHBondContact O-N 3.48Å; F121-Q123 VanDerWaalsContact C-N 3.28Å; F121-Q123 PolarHBondContact O-N 3.05Å; F121-L124 PolarHBondContact O-N 3.17Å; F121-Y125 HydrophobicContact CB-CD1 4.16Å; F121-Y125 HydrophobicContact CB-CE1 3.84Å; F121-Y125 HydrophobicContact CB-CE2 4.28Å; F121-Y125 HydrophobicContact CD2-CD2 4.07Å; F121-Y125 AromaticContact CD2-CE2 3.99Å; F121-Y125 HydrophobicContact CD2-CE2 3.99Å; F121-Y125 VanDerWaalsContact O-CB 3.23Å; F121-Y125 WeakPolarHBondContact O-CB 3.46Å; F121-Y125 WeakPolarHBondContact O-CD1 3.28Å; F121-Y125 VanDerWaalsContact O-CG 3.22Å; F121-Y125 PolarHBondContact O-N 3.33Å; F121-P159 HydrophobicContact CB-CB 4.12Å; F121-P159 HydrophobicContact CD1-CB 4.09Å; F121-P159 HydrophobicContact CD2-CB 3.33Å; F121-P159 HydrophobicContact CD2-CG 4.16Å; F121-P159 HydrophobicContact CE1-CB 4.4Å; F121-P159 HydrophobicContact CE2-CB 3.68Å; F121-P159 HydrophobicContact CE2-CG 4.22Å; F121-P159 HydrophobicContact CG-CB 3.56Å; F121-P159 HydrophobicContact CZ-CB 4.2Å; F121-H160 AromaticContact CE1-CD2 3.79Å; F121-H160 AromaticContact CE1-CE1 3.36Å; F121-H160 WeakPolarHBondContact CE1-CE1 3.39Å; F121-H160 AromaticContact CE1-CG 3.85Å; F121-H160 AromaticContact CE1-ND1 3.59Å; F121-H160 AromaticContact CE1-NE2 3.5Å; F121-H160 AromaticContact CZ-CE1 3.31Å; F121-H160 WeakPolarHBondContact CZ-CE1 3.47Å; F121-H160 AromaticContact CZ-ND1 3.72Å; F121-H160 AromaticContact CZ-NE2 3.84Å; F121-E230 HydrophobicContact CE2-CG 4.07Å
122K93.8Very high96.2Very high140 Ų14052.9 Ų52.961%0.60927%0.268SS*.Hα-helixtrans-68.2-33179.6-61.7-178.7176.1177.30111.3D120D120-K122 PolarHBondContact O-N 3.3Å; D120-K122 VanDerWaalsContact OD1-CB 3.26Å; D120-K122 WeakPolarHBondContact OD1-CB 3.13Å; D120-K122 PolarHBondContact OD1-N 2.74Å
123Q94.6Very high96.2Very high139 Ų13953 Ų5365%0.6527%0.268SS*.Hα-helixtrans-79.5-50.2174.1-61-177.716.500110.1D120 F121 Y125 Q126D120-Q123 PolarHBondContact O-N 3.03Å; D120-Q123 VanDerWaalsContact O-N 3.12Å; F121-Q123 VanDerWaalsContact C-N 3.28Å; F121-Q123 PolarHBondContact O-N 3.05Å; Q123-Y125 PolarHBondContact O-N 3.17Å; Q123-Q126 PolarHBondContact O-N 3.34Å
124L96Very high96.2Very high5 Ų553.5 Ų53.53%0.02627%0.27CS..Hα-helixtrans-60.8-46.9-175-178.662.7000112.4T119 D120 F121 Q126 T127 L128 I164 H166T119-L124 HydrophobicContact CG2-CB 3.93Å; T119-L124 HydrophobicContact CG2-CD1 4.32Å; D120-L124 WeakPolarHBondContact O-CB 3.24Å; D120-L124 PolarHBondContact O-N 2.73Å; F121-L124 PolarHBondContact O-N 3.17Å; L124-Q126 PolarHBondContact O-N 3Å; L124-Q126 VanDerWaalsContact O-N 3.11Å; L124-T127 PolarHBondContact O-N 2.86Å; L124-T127 PolarHBondContact O-OG1 3.03Å; L124-L128 HydrophobicContact CD1-CD2 3.75Å; L124-L128 HydrophobicContact CD2-CD2 4.45Å; L124-L128 HydrophobicContact CG-CD2 3.82Å; L124-L128 HydrophobicContact CG-CG 4.32Å; L124-L128 WeakPolarHBondContact O-CG 3.29Å; L124-L128 PolarHBondContact O-N 2.72Å; L124-I164 HydrophobicContact CD2-CB 3.83Å; L124-I164 HydrophobicContact CD2-CD1 3.97Å; L124-I164 HydrophobicContact CD2-CG1 4.48Å; L124-I164 HydrophobicContact CD2-CG2 3.69Å; L124-H166 HydrophobicContact CD1-CB 3.86Å
125Y95.5Very high96.3Very high15 Ų1552.6 Ų52.66%0.05927%0.265CS..Hα-helixtrans-65-22.2-172.5-729.9000113F121 Q123 T127 L128 P159 I164 M221 M225F121-Y125 HydrophobicContact CB-CD1 4.16Å; F121-Y125 HydrophobicContact CB-CE1 3.84Å; F121-Y125 HydrophobicContact CB-CE2 4.28Å; F121-Y125 HydrophobicContact CD2-CD2 4.07Å; F121-Y125 AromaticContact CD2-CE2 3.99Å; F121-Y125 HydrophobicContact CD2-CE2 3.99Å; F121-Y125 VanDerWaalsContact O-CB 3.23Å; F121-Y125 WeakPolarHBondContact O-CB 3.46Å; F121-Y125 WeakPolarHBondContact O-CD1 3.28Å; F121-Y125 VanDerWaalsContact O-CG 3.22Å; F121-Y125 PolarHBondContact O-N 3.33Å; Q123-Y125 PolarHBondContact O-N 3.17Å; Y125-T127 VanDerWaalsContact C-N 3.32Å; Y125-L128 HydrophobicContact CD1-CD1 3.87Å; Y125-L128 HydrophobicContact CE1-CD1 4.44Å; Y125-P159 HydrophobicContact CE2-CB 3.76Å; Y125-P159 HydrophobicContact CE2-CG 3.83Å; Y125-I164 HydrophobicContact CE1-CD1 4.28Å; Y125-M221 WeakPolarHBondContact OH-CE 3.46Å; Y125-M225 HydrophobicContact CD1-CE 4.35Å; Y125-M225 HydrophobicContact CD2-CE 4.05Å; Y125-M225 HydrophobicContact CD2-CG 3.88Å; Y125-M225 HydrophobicContact CE1-CE 3.73Å; Y125-M225 HydrophobicContact CE2-CE 3.36Å; Y125-M225 HydrophobicContact CE2-CG 4.04Å; Y125-M225 HydrophobicContact CG-CG 4.38Å; Y125-M225 VanDerWaalsContact OH-CE 3.28Å; Y125-M225 WeakPolarHBondContact OH-CE 3.45Å
126Q93.8Very high96.3Very high91 Ų9150 Ų5043%0.42525%0.253SS..Hα-helixtrans-77.2-19.4175.9-63.8-59.6-33.100113.2Q123 L124 R228Q123-Q126 PolarHBondContact O-N 3.34Å; L124-Q126 PolarHBondContact O-N 3Å; L124-Q126 VanDerWaalsContact O-N 3.11Å; Q126-R228 PolarHBondContact O-NH1 2.93Å; Q126-R228 PolarHBondContact O-NH2 3.31Å
127T96Very high96.4Very high97 Ų9748.8 Ų48.860%0.59525%0.246SC*.Hα-helixtrans-102.1-11.7-178.568.90000113.4L124 Y125L124-T127 PolarHBondContact O-N 2.86Å; L124-T127 PolarHBondContact O-OG1 3.03Å; Y125-T127 VanDerWaalsContact C-N 3.32Å
128L97.3Very high96.6Very high3 Ų345.8 Ų45.82%0.01623%0.228CC..  trans-63.7135.8-178.3-64.3-175.4000111.6L124 Y125 D132 I133 Y136L124-L128 HydrophobicContact CD1-CD2 3.75Å; L124-L128 HydrophobicContact CD2-CD2 4.45Å; L124-L128 HydrophobicContact CG-CD2 3.82Å; L124-L128 HydrophobicContact CG-CG 4.32Å; L124-L128 WeakPolarHBondContact O-CG 3.29Å; L124-L128 PolarHBondContact O-N 2.72Å; Y125-L128 HydrophobicContact CD1-CD1 3.87Å; Y125-L128 HydrophobicContact CE1-CD1 4.44Å; L128-D132 HydrophobicContact CB-CB 4.1Å; L128-D132 HydrophobicContact CD2-CB 3.8Å; L128-D132 HydrophobicContact CG-CB 4.41Å; L128-I133 HydrophobicContact CB-CG1 3.94Å; L128-I133 HydrophobicContact CD1-CG1 4.14Å; L128-Y136 HydrophobicContact CD1-CD2 4.36Å; L128-Y136 HydrophobicContact CD2-CD2 4.21Å; L128-Y136 HydrophobicContact CD2-CE2 3.98Å
129T97.7Very high96.8Very high71 Ų7143.8 Ų43.844%0.43622%0.217SC..  trans-78.5167.2167.3680000110.8Y131 D132 I133T129-Y131 PolarHBondContact O-N 3.49Å; T129-Y131 PolarHBondContact OG1-N 2.8Å; T129-D132 WeakPolarHBondContact CB-OD2 3.44Å; T129-D132 PolarHBondContact N-OD2 3.38Å; T129-D132 VanDerWaalsContact N-OD2 3.16Å; T129-D132 PolarHBondContact O-N 2.92Å; T129-D132 VanDerWaalsContact O-N 3.1Å; T129-D132 VanDerWaalsContact OG1-CG 3.24Å; T129-D132 PolarHBondContact OG1-N 3.05Å; T129-D132 VanDerWaalsContact OG1-N 3.15Å; T129-D132 PolarHBondContact OG1-OD2 3.34Å; T129-I133 WeakPolarHBondContact O-CG1 3.12Å; T129-I133 PolarHBondContact O-N 2.88Å
130D98.2Very high97Very high43 Ų4341.3 Ų41.323%0.2320%0.201CC..Hα-helixtrans-52.7-44.2170.6171.548.5000111.6D132 I133 R134 L292D130-D132 PolarHBondContact O-N 2.96Å; D130-I133 PolarHBondContact O-N 3.06Å; D130-R134 VanDerWaalsContact CG-NE 3.27Å; D130-R134 WeakPolarHBondContact O-CG 3.49Å; D130-R134 PolarHBondContact O-N 2.91Å; D130-R134 IonicContact OD1-CZ 3.85Å; D130-R134 IonicContact OD1-NE 2.63Å; D130-R134 PolarHBondContact OD1-NE 2.96Å; D130-R134 IonicContact OD1-NH2 2.94Å; D130-R134 PolarHBondContact OD1-NH2 2.93Å; D130-R134 IonicContact OD2-CZ 3.93Å; D130-R134 VanDerWaalsContact OD2-CZ 3.22Å; D130-R134 IonicContact OD2-NE 3.29Å; D130-R134 PolarHBondContact OD2-NE 3.11Å; D130-R134 IonicContact OD2-NH2 2.74Å; D130-R134 PolarHBondContact OD2-NH2 3.35Å; D130-L292 HydrophobicContact CB-CD2 4.33Å
131Y98.1Very high97.2Very high67 Ų6737.8 Ų37.826%0.26318%0.183SC..Hα-helixtrans-63.2-39.8177.2-177.9-97.9000112.4T129 R134 F135 V327T129-Y131 PolarHBondContact O-N 3.49Å; T129-Y131 PolarHBondContact OG1-N 2.8Å; Y131-R134 PolarHBondContact O-N 3.28Å; Y131-F135 HydrophobicContact CE1-CB 4.5Å; Y131-F135 VanDerWaalsContact O-CB 3.29Å; Y131-F135 WeakPolarHBondContact O-CB 3.32Å; Y131-F135 PolarHBondContact O-N 3.06Å; Y131-V327 HydrophobicContact CE2-CG2 4.11Å
132D98.1Very high97.4Very high15 Ų1539.3 Ų39.38%0.0819%0.189CC..Hα-helixtrans-67.2-39.7178.1-62.1-53.6000112.5L128 T129 D130 F135 Y136 H166 R169L128-D132 HydrophobicContact CB-CB 4.1Å; L128-D132 HydrophobicContact CD2-CB 3.8Å; L128-D132 HydrophobicContact CG-CB 4.41Å; T129-D132 WeakPolarHBondContact CB-OD2 3.44Å; T129-D132 PolarHBondContact N-OD2 3.38Å; T129-D132 VanDerWaalsContact N-OD2 3.16Å; T129-D132 PolarHBondContact O-N 2.92Å; T129-D132 VanDerWaalsContact O-N 3.1Å; T129-D132 VanDerWaalsContact OG1-CG 3.24Å; T129-D132 PolarHBondContact OG1-N 3.05Å; T129-D132 VanDerWaalsContact OG1-N 3.15Å; T129-D132 PolarHBondContact OG1-OD2 3.34Å; D130-D132 PolarHBondContact O-N 2.96Å; D132-F135 PolarHBondContact O-N 3.27Å; D132-Y136 HydrophobicContact CB-CD2 4.3Å; D132-Y136 HydrophobicContact CB-CE2 4.16Å; D132-Y136 WeakPolarHBondContact O-CD2 3.29Å; D132-Y136 PolarHBondContact O-N 3.26Å; D132-H166 IonicContact OD1-CE1 2.93Å; D132-R169 IonicContact OD1-CZ 2.8Å; D132-R169 IonicContact OD1-NH1 3.84Å; D132-R169 PolarHBondContact OD1-NH1 3.05Å; D132-R169 IonicContact OD1-NH2 3.48Å; D132-R169 PolarHBondContact OD1-NH2 3.23Å; D132-R169 VanDerWaalsContact OD1-NH2 3.14Å
133I98.5Very high97.7Very high1 Ų132.6 Ų32.61%0.00516%0.16CC..Hα-helixtrans-59.7-51.2174.2-65.6170.8000109.4L128 T129 D130 F135 Y136 M137 L222 M225 I226 L292L128-I133 HydrophobicContact CB-CG1 3.94Å; L128-I133 HydrophobicContact CD1-CG1 4.14Å; T129-I133 WeakPolarHBondContact O-CG1 3.12Å; T129-I133 PolarHBondContact O-N 2.88Å; D130-I133 PolarHBondContact O-N 3.06Å; I133-F135 VanDerWaalsContact C-N 3.3Å; I133-F135 PolarHBondContact O-N 3.44Å; I133-Y136 PolarHBondContact O-N 2.96Å; I133-M137 HydrophobicContact CG2-CG 4.11Å; I133-M137 VanDerWaalsContact O-CB 3.24Å; I133-M137 WeakPolarHBondContact O-CB 3.47Å; I133-M137 WeakPolarHBondContact O-CG 3.5Å; I133-M137 PolarHBondContact O-N 3.48Å; I133-L222 HydrophobicContact CG2-CD1 4.12Å; I133-M225 HydrophobicContact CD1-CB 4.05Å; I133-M225 HydrophobicContact CG1-CB 4.28Å; I133-M225 HydrophobicContact CG2-CB 4.21Å; I133-M225 HydrophobicContact CG2-SD 4Å; I133-I226 HydrophobicContact CD1-CG2 4.49Å; I133-I226 HydrophobicContact CG2-CG2 4.19Å; I133-L292 HydrophobicContact CD1-CB 4.41Å; I133-L292 HydrophobicContact CD1-CD1 4.03Å; I133-L292 HydrophobicContact CD1-CD2 3.98Å; I133-L292 HydrophobicContact CD1-CG 4.36Å
134R98.6Very high97.9Very high29 Ų2926 Ų2611%0.10913%0.129CC..Hα-helixtrans-55.4-47.2176.6-68.5171.3-166.9-135.617.8111.3D130 Y131 Y138 Y323 F324 V327D130-R134 VanDerWaalsContact CG-NE 3.27Å; D130-R134 WeakPolarHBondContact O-CG 3.49Å; D130-R134 PolarHBondContact O-N 2.91Å; D130-R134 IonicContact OD1-CZ 3.85Å; D130-R134 IonicContact OD1-NE 2.63Å; D130-R134 PolarHBondContact OD1-NE 2.96Å; D130-R134 IonicContact OD1-NH2 2.94Å; D130-R134 PolarHBondContact OD1-NH2 2.93Å; D130-R134 IonicContact OD2-CZ 3.93Å; D130-R134 VanDerWaalsContact OD2-CZ 3.22Å; D130-R134 IonicContact OD2-NE 3.29Å; D130-R134 PolarHBondContact OD2-NE 3.11Å; D130-R134 IonicContact OD2-NH2 2.74Å; D130-R134 PolarHBondContact OD2-NH2 3.35Å; Y131-R134 PolarHBondContact O-N 3.28Å; R134-Y138 VanDerWaalsContact O-CB 3.31Å; R134-Y138 WeakPolarHBondContact O-CB 3.47Å; R134-Y138 PolarHBondContact O-N 3.35Å; R134-Y323 HydrophobicContact CB-CE1 4.44Å; R134-Y323 WeakPolarHBondContact CD-O 3.47Å; R134-Y323 HydrophobicContact CG-CD1 4.18Å; R134-Y323 HydrophobicContact CG-CD2 4.24Å; R134-Y323 HydrophobicContact CG-CE1 3.64Å; R134-Y323 HydrophobicContact CG-CE2 3.67Å; R134-Y323 HydrophobicContact CG-CG 4.47Å; R134-Y323 PolarHBondContact NH1-O 3.43Å; R134-F324 HydrophobicContact CB-CD1 4.37Å; R134-F324 WeakPolarHBondContact O-CD1 3.42Å; R134-F324 VanDerWaalsContact O-CE1 3.24Å; R134-F324 WeakPolarHBondContact O-CE1 3.5Å; R134-V327 HydrophobicContact CB-CG2 3.67Å
135F98.4Very high98Very high21 Ų2127.2 Ų27.29%0.09214%0.136CC..Hα-helixtrans-61.1-53.7-179.2177.4-90.1000111.7Y131 D132 I133 M137 Y138 E139 R169 V327Y131-F135 HydrophobicContact CE1-CB 4.5Å; Y131-F135 VanDerWaalsContact O-CB 3.29Å; Y131-F135 WeakPolarHBondContact O-CB 3.32Å; Y131-F135 PolarHBondContact O-N 3.06Å; D132-F135 PolarHBondContact O-N 3.27Å; I133-F135 VanDerWaalsContact C-N 3.3Å; I133-F135 PolarHBondContact O-N 3.44Å; F135-M137 PolarHBondContact O-N 2.93Å; F135-Y138 WeakPolarHBondContact O-CB 3.45Å; F135-Y138 PolarHBondContact O-N 3.03Å; F135-E139 HydrophobicContact CD1-CG 4.21Å; F135-E139 HydrophobicContact CE1-CG 3.81Å; F135-E139 HydrophobicContact CZ-CG 3.97Å; F135-E139 WeakPolarHBondContact O-CG 3.44Å; F135-E139 PolarHBondContact O-N 3.14Å; F135-R169 VanDerWaalsContact CB-NH2 3.29Å; F135-R169 VanDerWaalsContact CD1-NH2 3.26Å; F135-R169 HydrophobicContact CE1-CB 3.85Å; F135-R169 HydrophobicContact CZ-CB 3.89Å; F135-V327 HydrophobicContact CB-CG2 4.34Å; F135-V327 HydrophobicContact CD2-CG1 4.14Å
136Y98.6Very high98.2Very high0 Ų029.3 Ų29.30%014%0.144CC..Hα-helixtrans-68.4-36-177-70-56.1000112.5L128 D132 I133 Y138 E139 I140 I164 H166 L171L128-Y136 HydrophobicContact CD1-CD2 4.36Å; L128-Y136 HydrophobicContact CD2-CD2 4.21Å; L128-Y136 HydrophobicContact CD2-CE2 3.98Å; D132-Y136 HydrophobicContact CB-CD2 4.3Å; D132-Y136 HydrophobicContact CB-CE2 4.16Å; D132-Y136 WeakPolarHBondContact O-CD2 3.29Å; D132-Y136 PolarHBondContact O-N 3.26Å; I133-Y136 PolarHBondContact O-N 2.96Å; Y136-Y138 VanDerWaalsContact C-N 3.31Å; Y136-Y138 PolarHBondContact O-N 3.44Å; Y136-E139 PolarHBondContact O-N 2.9Å; Y136-I140 VanDerWaalsContact O-CG1 3.26Å; Y136-I140 WeakPolarHBondContact O-CG1 3.37Å; Y136-I140 PolarHBondContact O-N 2.69Å; Y136-I164 HydrophobicContact CD1-CD1 4.05Å; Y136-I164 HydrophobicContact CD1-CG1 4.3Å; Y136-I164 HydrophobicContact CD1-CG2 4.07Å; Y136-I164 HydrophobicContact CD2-CD1 4.26Å; Y136-I164 HydrophobicContact CE1-CD1 4.48Å; Y136-I164 HydrophobicContact CE1-CG1 4.49Å; Y136-I164 HydrophobicContact CE1-CG2 3.44Å; Y136-I164 VanDerWaalsContact CE1-CG2 3.44Å; Y136-I164 HydrophobicContact CE2-CG2 4.11Å; Y136-I164 HydrophobicContact CG-CD1 3.94Å; Y136-I164 VanDerWaalsContact CZ-CG2 3.49Å; Y136-H166 AromaticContact CE2-CE1 3.87Å; Y136-H166 AromaticContact CE2-ND1 3.41Å; Y136-H166 WeakPolarHBondContact CE2-ND1 3.41Å; Y136-H166 AromaticContact CZ-ND1 3.53Å; Y136-H166 WeakPolarHBondContact OH-CA 3.3Å; Y136-H166 PolarHBondContact OH-ND1 2.98Å; Y136-L171 HydrophobicContact CD1-CB 4.49Å; Y136-L171 HydrophobicContact CD1-CD1 3.86Å; Y136-L171 HydrophobicContact CG-CD1 4.41Å
137M98.7Very high98.4Very high0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-62.4-39.8173-69.7-62.5-60.200111.7I133 F135 I140 L141 L218 L222 M225 F324I133-M137 HydrophobicContact CG2-CG 4.11Å; I133-M137 VanDerWaalsContact O-CB 3.24Å; I133-M137 WeakPolarHBondContact O-CB 3.47Å; I133-M137 WeakPolarHBondContact O-CG 3.5Å; I133-M137 PolarHBondContact O-N 3.48Å; F135-M137 PolarHBondContact O-N 2.93Å; M137-I140 PolarHBondContact O-N 2.75Å; M137-I140 HydrophobicContact SD-CD1 4.14Å; M137-L141 VanDerWaalsContact O-CG 3.32Å; M137-L141 WeakPolarHBondContact O-CG 3.15Å; M137-L141 PolarHBondContact O-N 3.38Å; M137-L218 HydrophobicContact CE-CD1 3.31Å; M137-L218 HydrophobicContact CE-CD2 4.15Å; M137-L218 HydrophobicContact CE-CG 3.44Å; M137-L218 VanDerWaalsContact CE-CG 3.44Å; M137-L218 HydrophobicContact SD-CD1 4.15Å; M137-L222 HydrophobicContact CE-CB 3.75Å; M137-L222 HydrophobicContact CE-CD1 4.29Å; M137-L222 HydrophobicContact CE-CG 4.49Å; M137-L222 HydrophobicContact CG-CD1 4.15Å; M137-L222 HydrophobicContact SD-CB 4.49Å; M137-M225 HydrophobicContact CG-SD 4.23Å; M137-M225 HydrophobicContact SD-CE 4.23Å; M137-M225 HydrophobicContact SD-SD 3.93Å; M137-F324 HydrophobicContact CB-CE1 3.85Å; M137-F324 HydrophobicContact CB-CZ 4.08Å
138Y98.7Very high98.5Very high25 Ų2520.5 Ų20.510%0.09810%0.096CC..Hα-helixtrans-64.5-40.8173.8-166.4-104000112.3R134 F135 Y136 L141 K142 M319 F324 V327 V328R134-Y138 VanDerWaalsContact O-CB 3.31Å; R134-Y138 WeakPolarHBondContact O-CB 3.47Å; R134-Y138 PolarHBondContact O-N 3.35Å; F135-Y138 WeakPolarHBondContact O-CB 3.45Å; F135-Y138 PolarHBondContact O-N 3.03Å; Y136-Y138 VanDerWaalsContact C-N 3.31Å; Y136-Y138 PolarHBondContact O-N 3.44Å; Y138-L141 WeakPolarHBondContact O-CB 3.4Å; Y138-L141 PolarHBondContact O-N 2.92Å; Y138-K142 HydrophobicContact CE1-CD 4.48Å; Y138-K142 PolarHBondContact O-N 3.46Å; Y138-M319 HydrophobicContact CD2-CB 4.38Å; Y138-M319 HydrophobicContact CD2-CG 4.25Å; Y138-M319 HydrophobicContact CE1-CE 4.2Å; Y138-M319 HydrophobicContact CE2-CB 3.7Å; Y138-M319 HydrophobicContact CE2-CE 4Å; Y138-M319 HydrophobicContact CE2-CG 3.92Å; Y138-M319 WeakPolarHBondContact CE2-O 3.43Å; Y138-M319 WeakPolarHBondContact OH-CE 3.35Å; Y138-F324 HydrophobicContact CD2-CB 3.72Å; Y138-F324 AromaticContact CD2-CD1 3.86Å; Y138-F324 HydrophobicContact CD2-CD1 3.86Å; Y138-F324 HydrophobicContact CD2-CD2 4.16Å; Y138-F324 AromaticContact CD2-CG 3.65Å; Y138-F324 HydrophobicContact CD2-CG 3.65Å; Y138-F324 HydrophobicContact CE2-CB 4.14Å; Y138-F324 HydrophobicContact CE2-CG 4.42Å; Y138-F324 HydrophobicContact CG-CD1 4.25Å; Y138-F324 HydrophobicContact CG-CG 4.46Å; Y138-V327 HydrophobicContact CD1-CG1 3.87Å; Y138-V327 HydrophobicContact CG-CG1 4.06Å; Y138-V328 HydrophobicContact CE1-CG2 4.41Å; Y138-V328 HydrophobicContact CE2-CG2 3.78Å
139E98.6Very high98.6Very high17 Ų1722 Ų228%0.07911%0.107CC..Hα-helixtrans-67.1-34.5176-67.1-50.6114.800112.9N93 F135 Y136 K142 A143 L171 Q331N93-E139 WeakPolarHBondContact ND2-CB 3.5Å; N93-E139 PolarHBondContact ND2-O 2.8Å; N93-E139 PolarHBondContact ND2-OE2 3.48Å; F135-E139 HydrophobicContact CD1-CG 4.21Å; F135-E139 HydrophobicContact CE1-CG 3.81Å; F135-E139 HydrophobicContact CZ-CG 3.97Å; F135-E139 WeakPolarHBondContact O-CG 3.44Å; F135-E139 PolarHBondContact O-N 3.14Å; Y136-E139 PolarHBondContact O-N 2.9Å; E139-K142 WeakPolarHBondContact OE1-CE 3.43Å; E139-K142 IonicContact OE1-NZ 3.62Å; E139-K142 PolarHBondContact OE1-NZ 2.98Å; E139-K142 IonicContact OE2-NZ 2.66Å; E139-K142 PolarHBondContact OE2-NZ 3.46Å; E139-A143 PolarHBondContact O-N 2.93Å; E139-L171 HydrophobicContact CB-CB 4.09Å; E139-L171 HydrophobicContact CB-CD1 4.14Å; E139-L171 HydrophobicContact CB-CD2 4.46Å; E139-L171 HydrophobicContact CB-CG 4.47Å; E139-Q331 PolarHBondContact OE1-NE2 3.05Å
140I98.8Very high98.7Very high1 Ų120 Ų201%0.0059%0.093CC..Hα-helixtrans-66.2-43.3171.1-62.1161.8000110.1Y136 M137 K142 A143 L144 V162 L171 L218 M221Y136-I140 VanDerWaalsContact O-CG1 3.26Å; Y136-I140 WeakPolarHBondContact O-CG1 3.37Å; Y136-I140 PolarHBondContact O-N 2.69Å; M137-I140 PolarHBondContact O-N 2.75Å; M137-I140 HydrophobicContact SD-CD1 4.14Å; I140-K142 VanDerWaalsContact C-N 3.29Å; I140-K142 PolarHBondContact O-N 3.19Å; I140-A143 WeakPolarHBondContact O-CB 3.31Å; I140-A143 PolarHBondContact O-N 3.5Å; I140-L144 HydrophobicContact CG2-CD1 3.98Å; I140-L144 HydrophobicContact CG2-CG 4.16Å; I140-L144 WeakPolarHBondContact O-CG 3.23Å; I140-L144 PolarHBondContact O-N 3.5Å; I140-V162 HydrophobicContact CD1-CG1 4Å; I140-V162 HydrophobicContact CD1-CG2 4.16Å; I140-V162 HydrophobicContact CG1-CG1 4Å; I140-V162 HydrophobicContact CG1-CG2 4.3Å; I140-L171 HydrophobicContact CD1-CD1 4.32Å; I140-L171 HydrophobicContact CG1-CD1 3.64Å; I140-L171 HydrophobicContact CG1-CD2 4Å; I140-L171 HydrophobicContact CG1-CG 4.47Å; I140-L218 HydrophobicContact CB-CD1 4.08Å; I140-L218 HydrophobicContact CD1-CD1 4.38Å; I140-L218 HydrophobicContact CG2-CD1 3.53Å; I140-M221 HydrophobicContact CD1-CE 3.98Å
141L98.9Very high98.7Very high0 Ų017.9 Ų17.90%08%0.082CC..Hα-helixtrans-59-38.8178-78168000112.4M137 Y138 A143 L144 D145 M215 L218 F300 A315 A318 M319 F324M137-L141 VanDerWaalsContact O-CG 3.32Å; M137-L141 WeakPolarHBondContact O-CG 3.15Å; M137-L141 PolarHBondContact O-N 3.38Å; Y138-L141 WeakPolarHBondContact O-CB 3.4Å; Y138-L141 PolarHBondContact O-N 2.92Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A143 PolarHBondContact O-N 3.24Å; L141-L144 PolarHBondContact O-N 2.94Å; L141-D145 WeakPolarHBondContact O-CB 3.33Å; L141-D145 PolarHBondContact O-N 3.35Å; L141-M215 HydrophobicContact CD2-CE 3.73Å; L141-M215 HydrophobicContact CD2-SD 4.48Å; L141-L218 HydrophobicContact CD2-CD2 3.34Å; L141-L218 HydrophobicContact CG-CD2 3.85Å; L141-F300 HydrophobicContact CD1-CZ 4.21Å; L141-A315 HydrophobicContact CD2-CB 4.24Å; L141-A318 HydrophobicContact CD1-CB 3.92Å; L141-A318 HydrophobicContact CD2-CB 3.57Å; L141-A318 HydrophobicContact CG-CB 4.43Å; L141-M319 HydrophobicContact CB-CG 3.52Å; L141-M319 HydrophobicContact CB-SD 4.09Å; L141-M319 HydrophobicContact CD1-CG 4.04Å; L141-M319 HydrophobicContact CG-CG 4.31Å; L141-F324 HydrophobicContact CD1-CD2 4.34Å; L141-F324 HydrophobicContact CD1-CE1 4.41Å; L141-F324 HydrophobicContact CD1-CE2 3.47Å; L141-F324 VanDerWaalsContact CD1-CE2 3.47Å; L141-F324 HydrophobicContact CD1-CZ 3.51Å
142K98.8Very high98.7Very high45 Ų4514.7 Ų14.720%0.1967%0.069CC..Hα-helixtrans-58.1-43.9172.6-70.5175.4-178171.40112.4P92 Y138 E139 I140 Y146 M319P92-K142 HydrophobicContact CB-CB 4.27Å; P92-K142 HydrophobicContact CG-CB 4.35Å; Y138-K142 HydrophobicContact CE1-CD 4.48Å; Y138-K142 PolarHBondContact O-N 3.46Å; E139-K142 WeakPolarHBondContact OE1-CE 3.43Å; E139-K142 IonicContact OE1-NZ 3.62Å; E139-K142 PolarHBondContact OE1-NZ 2.98Å; E139-K142 IonicContact OE2-NZ 2.66Å; E139-K142 PolarHBondContact OE2-NZ 3.46Å; I140-K142 VanDerWaalsContact C-N 3.29Å; I140-K142 PolarHBondContact O-N 3.19Å; K142-Y146 VanDerWaalsContact O-CB 3.31Å; K142-Y146 WeakPolarHBondContact O-CB 3.18Å; K142-Y146 PolarHBondContact O-N 3.29Å; K142-M319 HydrophobicContact CG-CE 3.59Å; K142-M319 HydrophobicContact CG-SD 4.27Å
143A98.9Very high98.8Very high0 Ų014 Ų140%07%0.065CC..Hα-helixtrans-64.9-42.7177.300000111.7P92 N93 I94 E139 I140 L141 C147 L173P92-A143 WeakPolarHBondContact O-CA 3.28Å; N93-A143 HydrophobicContact CB-CB 4.12Å; I94-A143 HydrophobicContact CD1-CB 3.82Å; E139-A143 PolarHBondContact O-N 2.93Å; I140-A143 WeakPolarHBondContact O-CB 3.31Å; I140-A143 PolarHBondContact O-N 3.5Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A143 PolarHBondContact O-N 3.24Å; A143-C147 PolarHBondContact O-N 3.47Å; A143-L173 HydrophobicContact CB-CB 4.09Å; A143-L173 HydrophobicContact CB-CD2 4.14Å
144L98.9Very high98.8Very high0 Ų014 Ų140%07%0.065CC..Hα-helixtrans-68.1-48179.4-66.2-179.8000112.1I140 L141 Y146 C147 H148 H154 V157 L173 D214 M215 L218 A315I140-L144 HydrophobicContact CG2-CD1 3.98Å; I140-L144 HydrophobicContact CG2-CG 4.16Å; I140-L144 WeakPolarHBondContact O-CG 3.23Å; I140-L144 PolarHBondContact O-N 3.5Å; L141-L144 PolarHBondContact O-N 2.94Å; L144-Y146 VanDerWaalsContact C-N 3.27Å; L144-Y146 PolarHBondContact O-N 3.02Å; L144-C147 PolarHBondContact O-N 3.42Å; L144-C147 PolarHBondContact O-SG 3.29Å; L144-H148 VanDerWaalsContact O-CB 3.24Å; L144-H148 WeakPolarHBondContact O-CB 3.34Å; L144-H148 PolarHBondContact O-CD2 2.91Å; L144-H148 VanDerWaalsContact O-CD2 3.3Å; L144-H148 PolarHBondContact O-N 3.1Å; L144-H148 PolarHBondContact O-ND1 3.13Å; L144-H154 HydrophobicContact CD2-CB 4.5Å; L144-V157 HydrophobicContact CD2-CG2 3.79Å; L144-L173 HydrophobicContact CD2-CD2 3.88Å; L144-D214 HydrophobicContact CD1-CB 4.44Å; L144-D214 HydrophobicContact CD2-CB 4.09Å; L144-M215 HydrophobicContact CD1-SD 4.34Å; L144-L218 HydrophobicContact CD1-CB 4.38Å; L144-L218 HydrophobicContact CD1-CD1 4.28Å; L144-L218 HydrophobicContact CD1-CD2 4.28Å; L144-A315 HydrophobicContact CB-CB 4.07Å
145D98.9Very high98.8Very high31 Ų3113 Ų1317%0.1666%0.061CC..Hα-helixtrans-59.4-41.7176.7-17651.8000110.9Y12 L141 H148 S149 A315 M319Y12-D145 WeakPolarHBondContact CE2-OD1 3.41Å; Y12-D145 PolarHBondContact OH-OD1 3.37Å; L141-D145 WeakPolarHBondContact O-CB 3.33Å; L141-D145 PolarHBondContact O-N 3.35Å; D145-H148 PolarHBondContact O-N 3.06Å; D145-S149 WeakPolarHBondContact O-CB 3.39Å; D145-S149 PolarHBondContact O-N 3.08Å; D145-S149 PolarHBondContact O-OG 3.13Å; D145-A315 HydrophobicContact CB-CB 3.68Å; D145-M319 HydrophobicContact CB-SD 4.28Å
146Y98.9Very high98.8Very high58 Ų5812.3 Ų12.323%0.2276%0.059CC..Hα-helixtrans-61.3-52.2175.9-177.5-103.1000112.2L88 G91 P92 I94 K142 L144 H148 S149 M150L88-Y146 HydrophobicContact CB-CE1 4.34Å; L88-Y146 HydrophobicContact CD2-CD1 4.06Å; L88-Y146 HydrophobicContact CD2-CE1 3.88Å; G91-Y146 VanDerWaalsContact CA-CZ 3.44Å; P92-Y146 HydrophobicContact CG-CD2 4.42Å; P92-Y146 HydrophobicContact CG-CG 4.21Å; I94-Y146 HydrophobicContact CD1-CD1 4.44Å; I94-Y146 HydrophobicContact CG1-CD1 3.95Å; I94-Y146 HydrophobicContact CG1-CE1 4.45Å; K142-Y146 VanDerWaalsContact O-CB 3.31Å; K142-Y146 WeakPolarHBondContact O-CB 3.18Å; K142-Y146 PolarHBondContact O-N 3.29Å; L144-Y146 VanDerWaalsContact C-N 3.27Å; L144-Y146 PolarHBondContact O-N 3.02Å; Y146-H148 VanDerWaalsContact C-N 3.33Å; Y146-H148 PolarHBondContact O-N 3.44Å; Y146-S149 PolarHBondContact O-N 3.09Å; Y146-S149 PolarHBondContact O-OG 3.25Å; Y146-M150 HydrophobicContact CD1-CG 4.49Å; Y146-M150 HydrophobicContact CE1-CG 4.14Å; Y146-M150 HydrophobicContact CE2-CG 4.32Å; Y146-M150 VanDerWaalsContact O-CG 3.31Å; Y146-M150 WeakPolarHBondContact O-CG 3.47Å; Y146-M150 PolarHBondContact O-N 3.14Å
147C98.9Very high98.8Very high0 Ų012.3 Ų12.30%06%0.059CC..Hα-helixtrans-67.1-35.7-178.374.50000112.5L88 A143 L144 M150 G151 I152 W176L88-C147 HydrophobicContact CD1-CB 3.97Å; L88-C147 HydrophobicContact CD2-CB 3.82Å; A143-C147 PolarHBondContact O-N 3.47Å; L144-C147 PolarHBondContact O-N 3.42Å; L144-C147 PolarHBondContact O-SG 3.29Å; C147-M150 CarbonylContact O-C 3.56Å; C147-M150 WeakPolarHBondContact O-CA 3.49Å; C147-M150 PolarHBondContact O-N 2.77Å; C147-M150 VanDerWaalsContact O-N 3.15Å; C147-G151 PolarHBondContact O-N 3.22Å; C147-I152 CarbonylContact C-O 3.57Å; C147-I152 PolarHBondContact O-N 2.88Å; C147-I152 VanDerWaalsContact O-O 3.14Å; C147-W176 HydrophobicContact CB-CH2 3.52Å; C147-W176 HydrophobicContact CB-CZ3 3.72Å
148H98.9Very high98.8Very high4 Ų413.6 Ų13.62%0.0197%0.065CC..Hα-helixtrans-63.2-43.9173.6-64176.1000110.8Y12 L144 D145 Y146 M150 G151 I152 Y211 D214Y12-H148 WeakPolarHBondContact CB-O 3.41Å; Y12-H148 VanDerWaalsContact CD2-C 3.48Å; Y12-H148 HydrophobicContact CD2-CB 3.78Å; Y12-H148 HydrophobicContact CE2-CB 4.04Å; L144-H148 VanDerWaalsContact O-CB 3.24Å; L144-H148 WeakPolarHBondContact O-CB 3.34Å; L144-H148 PolarHBondContact O-CD2 2.91Å; L144-H148 VanDerWaalsContact O-CD2 3.3Å; L144-H148 PolarHBondContact O-N 3.1Å; L144-H148 PolarHBondContact O-ND1 3.13Å; D145-H148 PolarHBondContact O-N 3.06Å; Y146-H148 VanDerWaalsContact C-N 3.33Å; Y146-H148 PolarHBondContact O-N 3.44Å; H148-M150 PolarHBondContact O-N 3.01Å; H148-G151 WeakPolarHBondContact O-CA 3.4Å; H148-G151 PolarHBondContact O-N 3.34Å; H148-I152 PolarHBondContact CD2-O 3Å; H148-Y211 HydrophobicContact CB-CD1 4.02Å; H148-Y211 HydrophobicContact CB-CG 4.16Å; H148-Y211 AromaticContact CD2-CD1 3.76Å; H148-Y211 PolarHBondContact CE1-O 2.54Å; H148-Y211 AromaticContact CG-CD1 3.93Å; H148-Y211 AromaticContact CG-CG 3.99Å; H148-D214 IonicContact CD2-OD2 3Å; H148-D214 IonicContact CE1-OD2 3.68Å; H148-D214 IonicContact NE2-OD2 3.95Å; H148-D214 PolarHBondContact NE2-OD2 2.96Å
149S98.8Very high98.7Very high35 Ų3512.5 Ų12.525%0.2456%0.06CC..Hα-helixtrans-63.2-23.9175.281.20000113.5D145 Y146 G151D145-S149 WeakPolarHBondContact O-CB 3.39Å; D145-S149 PolarHBondContact O-N 3.08Å; D145-S149 PolarHBondContact O-OG 3.13Å; Y146-S149 PolarHBondContact O-N 3.09Å; Y146-S149 PolarHBondContact O-OG 3.25Å; S149-G151 VanDerWaalsContact C-N 3.29Å
150M98.8Very high98.6Very high27 Ų2716.7 Ų16.713%0.1338%0.08CC..THydrogen-bonded Turntrans-908.1174.3-67.9-63.5-82.600112.7Y23 N87 L88 Y146 C147 H148 I152Y23-M150 HydrophobicContact CE2-CE 4.26Å; Y23-M150 WeakPolarHBondContact OH-CB 3.5Å; Y23-M150 WeakPolarHBondContact OH-CE 3.24Å; Y23-M150 PolarHBondContact OH-O 3.16Å; N87-M150 WeakPolarHBondContact O-CE 3.41Å; L88-M150 HydrophobicContact CD2-CB 3.74Å; L88-M150 HydrophobicContact CD2-CG 4.05Å; Y146-M150 HydrophobicContact CD1-CG 4.49Å; Y146-M150 HydrophobicContact CE1-CG 4.14Å; Y146-M150 HydrophobicContact CE2-CG 4.32Å; Y146-M150 VanDerWaalsContact O-CG 3.31Å; Y146-M150 WeakPolarHBondContact O-CG 3.47Å; Y146-M150 PolarHBondContact O-N 3.14Å; C147-M150 CarbonylContact O-C 3.56Å; C147-M150 WeakPolarHBondContact O-CA 3.49Å; C147-M150 PolarHBondContact O-N 2.77Å; C147-M150 VanDerWaalsContact O-N 3.15Å; H148-M150 PolarHBondContact O-N 3.01Å; M150-I152 HydrophobicContact CB-CD1 4.33Å
151G98.8Very high98.6Very high0 Ų017 Ų170%08%0.081CC..THydrogen-bonded Turntrans76.422.6176.300000113.8N16 C147 H148 S149 F181 Y182N16-G151 PolarHBondContact ND2-O 3.32Å; C147-G151 PolarHBondContact O-N 3.22Å; H148-G151 WeakPolarHBondContact O-CA 3.4Å; H148-G151 PolarHBondContact O-N 3.34Å; S149-G151 VanDerWaalsContact C-N 3.29Å; G151-F181 CarbonylContact O-C 3.59Å; G151-F181 WeakPolarHBondContact O-CA 3.23Å; G151-Y182 PolarHBondContact O-N 3.28Å
152I98.9Very high98.5Very high0 Ų017.1 Ų17.10%08%0.082CC..EExtended strand (participates in β ladder)trans-120.3131.6-172.9-66.6155.9000110.3I84 N87 L88 C147 H148 M150 W176 A179 E180 F181I84-I152 HydrophobicContact CD1-CG2 4.22Å; I84-I152 HydrophobicContact CG1-CD1 4.32Å; I84-I152 HydrophobicContact CG1-CG1 4.42Å; I84-I152 HydrophobicContact CG1-CG2 4.42Å; I84-I152 HydrophobicContact CG2-CD1 4.22Å; I84-I152 HydrophobicContact CG2-CG2 3.92Å; N87-I152 HydrophobicContact CB-CD1 4.42Å; L88-I152 HydrophobicContact CD1-CD1 4.17Å; L88-I152 HydrophobicContact CD1-CG2 4.4Å; L88-I152 HydrophobicContact CD2-CD1 3.73Å; L88-I152 HydrophobicContact CG-CD1 3.79Å; C147-I152 CarbonylContact C-O 3.57Å; C147-I152 PolarHBondContact O-N 2.88Å; C147-I152 VanDerWaalsContact O-O 3.14Å; H148-I152 PolarHBondContact CD2-O 3Å; M150-I152 HydrophobicContact CB-CD1 4.33Å; I152-W176 HydrophobicContact CG2-CE3 4.31Å; I152-W176 HydrophobicContact CG2-CZ3 4.07Å; I152-A179 HydrophobicContact CG2-CB 4.17Å; I152-E180 CarbonylContact C-O 3.58Å; I152-E180 WeakPolarHBondContact CA-O 3.42Å; I152-F181 HydrophobicContact CD1-CD1 4.35Å; I152-F181 HydrophobicContact CD1-CE1 3.8Å; I152-F181 HydrophobicContact CD1-CZ 4.36Å; I152-F181 HydrophobicContact CG1-CD1 3.72Å; I152-F181 HydrophobicContact CG1-CE1 3.69Å; I152-F181 HydrophobicContact CG1-CG 4.49Å; I152-F181 HydrophobicContact CG1-CZ 4.42Å
153M98.9Very high98.5Very high0 Ų016.5 Ų16.50%08%0.08CC..EExtended strand (participates in β ladder)trans-94.9136.5168.4-59.3175.8-76.900109.6R155 A179 E180 Y182 Y188 Y209 D210 Y211M153-R155 HydrophobicContact CB-CG 3.64Å; M153-A179 CarbonylContact O-C 3.45Å; M153-A179 WeakPolarHBondContact O-CA 3.46Å; M153-A179 VanDerWaalsContact O-CB 3.26Å; M153-A179 WeakPolarHBondContact O-CB 3.48Å; M153-E180 HydrophobicContact CE-CB 4.38Å; M153-E180 PolarHBondContact N-O 3.19Å; M153-E180 PolarHBondContact O-N 3.4Å; M153-Y182 HydrophobicContact CE-CD2 4.06Å; M153-Y182 HydrophobicContact SD-CD2 4.09Å; M153-Y188 HydrophobicContact CE-CD1 4.12Å; M153-Y188 HydrophobicContact CE-CD2 4.01Å; M153-Y188 HydrophobicContact CE-CE1 3.88Å; M153-Y188 HydrophobicContact CE-CE2 3.77Å; M153-Y188 HydrophobicContact CE-CG 4.19Å; M153-Y209 HydrophobicContact CE-CE2 4.45Å; M153-Y209 HydrophobicContact SD-CD2 4.14Å; M153-Y209 HydrophobicContact SD-CE2 4.14Å; M153-D210 VanDerWaalsContact SD-CA 3.59Å; M153-Y211 HydrophobicContact CG-CD1 3.6Å; M153-Y211 HydrophobicContact CG-CE1 4.09Å; M153-Y211 HydrophobicContact CG-CG 4.38Å
154H98.9Very high98.5Very high0 Ų016.7 Ų16.70%08%0.081CC..  trans-75.6-45.5178.1-175-90.8000111.8L144 D156 V157 I174 W176 L178 A179 D214L144-H154 HydrophobicContact CD2-CB 4.5Å; H154-D156 PolarHBondContact CE1-O 3.07Å; H154-D156 VanDerWaalsContact ND1-C 3.3Å; H154-D156 PolarHBondContact ND1-N 2.61Å; H154-D156 PolarHBondContact O-N 3.27Å; H154-V157 HydrophobicContact CB-CG2 3.98Å; H154-V157 PolarHBondContact ND1-N 3.2Å; H154-I174 PolarHBondContact NE2-O 3.31Å; H154-I174 VanDerWaalsContact NE2-O 3.08Å; H154-W176 HydrophobicContact CB-CZ3 4.17Å; H154-W176 AromaticContact CD2-CD2 3.74Å; H154-W176 AromaticContact CD2-CE2 3.8Å; H154-W176 AromaticContact CD2-CE3 3.65Å; H154-W176 AromaticContact CD2-CH2 3.72Å; H154-W176 AromaticContact CD2-CZ2 3.79Å; H154-W176 AromaticContact CD2-CZ3 3.65Å; H154-L178 CarbonylContact O-C 3.58Å; H154-A179 WeakPolarHBondContact O-CA 3.34Å; H154-A179 PolarHBondContact O-N 2.89Å; H154-D214 PolarHBondContact N-OD2 2.9Å
155R98.8Very high98.4Very high8 Ų817.4 Ų17.43%0.039%0.085CC..  trans62.413.8175.3-47.9-166-60.5-175.8-9.9116.7M153 L178 E180 V192 A193 Y209 L213 D214M153-R155 HydrophobicContact CB-CG 3.64Å; R155-L178 PolarHBondContact NE-O 2.76Å; R155-L178 PolarHBondContact NH2-O 3.18Å; R155-E180 IonicContact NH2-OE2 2.6Å; R155-E180 PolarHBondContact NH2-OE2 3.25Å; R155-V192 HydrophobicContact CB-CB 4.19Å; R155-V192 HydrophobicContact CB-CG2 4.15Å; R155-A193 WeakPolarHBondContact O-CA 3.31Å; R155-A193 WeakPolarHBondContact O-CB 3.16Å; R155-A193 PolarHBondContact O-N 2.79Å; R155-Y209 WeakPolarHBondContact CD-OH 3.39Å; R155-Y209 HydrophobicContact CG-CE2 4.48Å; R155-Y209 PolarHBondContact NH1-OH 3.09Å; R155-L213 HydrophobicContact CB-CD2 4.2Å; R155-L213 HydrophobicContact CG-CD2 4.14Å; R155-D214 WeakPolarHBondContact CA-OD1 3.12Å; R155-D214 PolarHBondContact N-OD1 3.43Å
156D98.5Very high98.3Very high7 Ų718.6 Ų18.64%0.0379%0.09CC..  trans-15341.3170.7-160.929000112H154 K158 N161 L178 A193 S194H154-D156 PolarHBondContact CE1-O 3.07Å; H154-D156 VanDerWaalsContact ND1-C 3.3Å; H154-D156 PolarHBondContact ND1-N 2.61Å; H154-D156 PolarHBondContact O-N 3.27Å; D156-K158 VanDerWaalsContact CG-NZ 3.29Å; D156-K158 PolarHBondContact O-N 3.4Å; D156-K158 IonicContact OD1-NZ 3.14Å; D156-K158 PolarHBondContact OD1-NZ 3.12Å; D156-K158 IonicContact OD2-NZ 3.89Å; D156-K158 PolarHBondContact OD2-NZ 2.85Å; D156-N161 PolarHBondContact O-ND2 2.9Å; D156-N161 PolarHBondContact OD2-ND2 3.18Å; D156-L178 HydrophobicContact CB-CB 4.28Å; D156-L178 HydrophobicContact CB-CD1 3.91Å; D156-A193 WeakPolarHBondContact OD1-CA 3.23Å; D156-S194 PolarHBondContact OD1-N 3.16Å; D156-S194 PolarHBondContact OD1-OG 3.36Å
157V98.7Very high98.2Very high0 Ų023.1 Ų23.10%011%0.113CC..  trans-66.2124173.91780000108.9L144 H154 D214 S217 M221L144-V157 HydrophobicContact CD2-CG2 3.79Å; H154-V157 HydrophobicContact CB-CG2 3.98Å; H154-V157 PolarHBondContact ND1-N 3.2Å; V157-D214 HydrophobicContact CG2-CB 3.98Å; V157-S217 WeakPolarHBondContact O-CB 3.44Å; V157-M221 HydrophobicContact CG1-SD 3.82Å
158K98.1Very high98Very high28 Ų2828.1 Ų28.112%0.12214%0.136CC..SBendtrans-167.9162.7-179.865.4-164-175.7-156.30109.5D156 H160 N161 S194 F197 M221D156-K158 VanDerWaalsContact CG-NZ 3.29Å; D156-K158 PolarHBondContact O-N 3.4Å; D156-K158 IonicContact OD1-NZ 3.14Å; D156-K158 PolarHBondContact OD1-NZ 3.12Å; D156-K158 IonicContact OD2-NZ 3.89Å; D156-K158 PolarHBondContact OD2-NZ 2.85Å; K158-H160 HydrophobicContact CG-CB 4.21Å; K158-H160 PolarHBondContact O-N 3.32Å; K158-H160 VanDerWaalsContact O-N 3.13Å; K158-N161 WeakPolarHBondContact CE-ND2 3.45Å; K158-N161 WeakPolarHBondContact CE-OD1 3.31Å; K158-N161 HydrophobicContact CG-CB 4.14Å; K158-N161 PolarHBondContact O-N 3.25Å; K158-S194 WeakPolarHBondContact CD-OG 3.44Å; K158-S194 WeakPolarHBondContact CE-OG 3.39Å; K158-S194 PolarHBondContact NZ-OG 2.87Å; K158-F197 HydrophobicContact CB-CD1 4.31Å; K158-F197 HydrophobicContact CB-CD2 3.56Å; K158-F197 HydrophobicContact CB-CE1 4.4Å; K158-F197 HydrophobicContact CB-CE2 3.65Å; K158-F197 HydrophobicContact CB-CG 3.92Å; K158-F197 HydrophobicContact CB-CZ 4.11Å; K158-M221 VanDerWaalsContact CA-SD 3.56Å
159P97.7Very high97.9Very high1 Ų131.7 Ų31.71%0.00615%0.149CC..G310 helixtrans-55.8-36.1-178.2-29.137.8000114.1F121 Y125 N161 V162 F197 M221F121-P159 HydrophobicContact CB-CB 4.12Å; F121-P159 HydrophobicContact CD1-CB 4.09Å; F121-P159 HydrophobicContact CD2-CB 3.33Å; F121-P159 HydrophobicContact CD2-CG 4.16Å; F121-P159 HydrophobicContact CE1-CB 4.4Å; F121-P159 HydrophobicContact CE2-CB 3.68Å; F121-P159 HydrophobicContact CE2-CG 4.22Å; F121-P159 HydrophobicContact CG-CB 3.56Å; F121-P159 HydrophobicContact CZ-CB 4.2Å; Y125-P159 HydrophobicContact CE2-CB 3.76Å; Y125-P159 HydrophobicContact CE2-CG 3.83Å; P159-N161 PolarHBondContact O-N 3.49Å; P159-V162 PolarHBondContact O-N 3.44Å; P159-V162 VanDerWaalsContact O-N 3.15Å; P159-F197 HydrophobicContact CG-CE1 4.38Å; P159-F197 HydrophobicContact CG-CZ 3.99Å; P159-M221 HydrophobicContact CB-CE 4.47Å; P159-M221 HydrophobicContact CG-CE 4.11Å; P159-M221 HydrophobicContact CG-CG 4.08Å; P159-M221 HydrophobicContact CG-SD 4.42Å
160H96.3Very high97.8Very high105 Ų10535.6 Ų35.649%0.48616%0.162SC..G310 helixtrans-65.1-21.5178.5-63.675.2000113.7F121 K158 M163F121-H160 AromaticContact CE1-CD2 3.79Å; F121-H160 AromaticContact CE1-CE1 3.36Å; F121-H160 WeakPolarHBondContact CE1-CE1 3.39Å; F121-H160 AromaticContact CE1-CG 3.85Å; F121-H160 AromaticContact CE1-ND1 3.59Å; F121-H160 AromaticContact CE1-NE2 3.5Å; F121-H160 AromaticContact CZ-CE1 3.31Å; F121-H160 WeakPolarHBondContact CZ-CE1 3.47Å; F121-H160 AromaticContact CZ-ND1 3.72Å; F121-H160 AromaticContact CZ-NE2 3.84Å; K158-H160 HydrophobicContact CG-CB 4.21Å; K158-H160 PolarHBondContact O-N 3.32Å; K158-H160 VanDerWaalsContact O-N 3.13Å; H160-M163 WeakPolarHBondContact O-CE 3.46Å
161N97.8Very high97.8Very high8 Ų834.3 Ų34.34%0.04316%0.156CC..G310 helixtrans-102.49.4179.9-71-2.4000112.1D156 K158 P159 I174D156-N161 PolarHBondContact O-ND2 2.9Å; D156-N161 PolarHBondContact OD2-ND2 3.18Å; K158-N161 WeakPolarHBondContact CE-ND2 3.45Å; K158-N161 WeakPolarHBondContact CE-OD1 3.31Å; K158-N161 HydrophobicContact CG-CB 4.14Å; K158-N161 PolarHBondContact O-N 3.25Å; P159-N161 PolarHBondContact O-N 3.49Å; N161-I174 HydrophobicContact CB-CG1 4.19Å; N161-I174 VanDerWaalsContact O-CG1 3.28Å; N161-I174 WeakPolarHBondContact O-CG1 3.48Å; N161-I174 PolarHBondContact O-N 3.06Å
162V98.4Very high97.8Very high2 Ų236.8 Ų36.81%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-116.8102.3176178.10000108.2I140 P159 I164 L171 L173 M221I140-V162 HydrophobicContact CD1-CG1 4Å; I140-V162 HydrophobicContact CD1-CG2 4.16Å; I140-V162 HydrophobicContact CG1-CG1 4Å; I140-V162 HydrophobicContact CG1-CG2 4.3Å; P159-V162 PolarHBondContact O-N 3.44Å; P159-V162 VanDerWaalsContact O-N 3.15Å; V162-I164 HydrophobicContact CG1-CD1 4.21Å; V162-I164 HydrophobicContact CG1-CG1 4.05Å; V162-L171 HydrophobicContact CG1-CD1 3.57Å; V162-L171 HydrophobicContact CG1-CD2 4.12Å; V162-L171 HydrophobicContact CG1-CG 3.8Å; V162-L173 HydrophobicContact CG2-CD1 4.15Å; V162-M221 HydrophobicContact CB-CE 4.46Å; V162-M221 HydrophobicContact CG2-CE 3.95Å
163M97.9Very high97.7Very high33 Ų3336.8 Ų36.816%0.16317%0.165CC..EExtended strand (participates in β ladder)trans-84.1129.2178.3-59.3-64.894.600110V116 N118 H160 L171 R172 I174V116-M163 HydrophobicContact CB-CB 4.12Å; V116-M163 HydrophobicContact CG1-CB 3.83Å; V116-M163 HydrophobicContact CG2-CB 4.44Å; N118-M163 HydrophobicContact CB-CB 4.37Å; N118-M163 HydrophobicContact CB-SD 3.84Å; N118-M163 VanDerWaalsContact CG-SD 3.58Å; N118-M163 VanDerWaalsContact OD1-CA 3.24Å; N118-M163 WeakPolarHBondContact OD1-CA 3.32Å; H160-M163 WeakPolarHBondContact O-CE 3.46Å; M163-L171 CarbonylContact O-C 3.54Å; M163-L171 WeakPolarHBondContact O-CA 3.46Å; M163-R172 HydrophobicContact CB-CB 4.42Å; M163-R172 PolarHBondContact N-O 2.82Å; M163-R172 PolarHBondContact O-N 3.24Å; M163-I174 HydrophobicContact CB-CG2 4.42Å; M163-I174 HydrophobicContact CE-CD1 3.71Å; M163-I174 HydrophobicContact CE-CG1 4.28Å; M163-I174 HydrophobicContact CG-CB 4.48Å; M163-I174 HydrophobicContact CG-CD1 3.83Å; M163-I174 HydrophobicContact CG-CG1 4.08Å; M163-I174 HydrophobicContact CG-CG2 3.56Å; M163-I174 HydrophobicContact SD-CD1 3.9Å
164I98.3Very high97.7Very high3 Ų338.6 Ų38.62%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-127116.9-178.5-60.1175.4000109.9N118 T119 L124 Y125 Y136 V162 H166 K170 L171N118-I164 WeakPolarHBondContact CA-O 3.48Å; N118-I164 PolarHBondContact OD1-N 3.4Å; T119-I164 PolarHBondContact N-O 3.4Å; L124-I164 HydrophobicContact CD2-CB 3.83Å; L124-I164 HydrophobicContact CD2-CD1 3.97Å; L124-I164 HydrophobicContact CD2-CG1 4.48Å; L124-I164 HydrophobicContact CD2-CG2 3.69Å; Y125-I164 HydrophobicContact CE1-CD1 4.28Å; Y136-I164 HydrophobicContact CD1-CD1 4.05Å; Y136-I164 HydrophobicContact CD1-CG1 4.3Å; Y136-I164 HydrophobicContact CD1-CG2 4.07Å; Y136-I164 HydrophobicContact CD2-CD1 4.26Å; Y136-I164 HydrophobicContact CE1-CD1 4.48Å; Y136-I164 HydrophobicContact CE1-CG1 4.49Å; Y136-I164 HydrophobicContact CE1-CG2 3.44Å; Y136-I164 VanDerWaalsContact CE1-CG2 3.44Å; Y136-I164 HydrophobicContact CE2-CG2 4.11Å; Y136-I164 HydrophobicContact CG-CD1 3.94Å; Y136-I164 VanDerWaalsContact CZ-CG2 3.49Å; V162-I164 HydrophobicContact CG1-CD1 4.21Å; V162-I164 HydrophobicContact CG1-CG1 4.05Å; I164-H166 HydrophobicContact CG2-CB 4.26Å; I164-K170 WeakPolarHBondContact CA-O 3.47Å; I164-L171 HydrophobicContact CD1-CD1 4.29Å; I164-L171 HydrophobicContact CG1-CD1 4.05Å; I164-L171 HydrophobicContact CG1-CG 4.35Å
165D97.4Very high97.6Very high16 Ų1641.2 Ų41.29%0.08619%0.188CC..EExtended strand (participates in β ladder)trans-90.396.9160.9178.6-20.4000107V116 N117 E167 H168 R169 K170V116-D165 HydrophobicContact CG1-CB 4.34Å; N117-D165 WeakPolarHBondContact O-CA 3.38Å; D165-E167 VanDerWaalsContact C-N 3.34Å; D165-E167 PolarHBondContact OD1-N 2.93Å; D165-H168 VanDerWaalsContact CG-ND1 3.31Å; D165-H168 IonicContact OD1-CG 3.8Å; D165-H168 PolarHBondContact OD1-N 3.1Å; D165-H168 IonicContact OD1-ND1 3.81Å; D165-H168 PolarHBondContact OD1-ND1 3.37Å; D165-H168 IonicContact OD2-CE1 2.68Å; D165-H168 IonicContact OD2-CG 3.2Å; D165-H168 IonicContact OD2-ND1 3.66Å; D165-H168 PolarHBondContact OD2-ND1 3.29Å; D165-R169 WeakPolarHBondContact O-CA 3.37Å; D165-R169 PolarHBondContact O-N 3.19Å; D165-K170 HydrophobicContact CB-CB 4.25Å; D165-K170 PolarHBondContact N-O 3.28Å; D165-K170 PolarHBondContact O-N 3.15Å
166H97.1Very high97.6Very high56 Ų5640.9 Ų40.926%0.25919%0.187SC..THydrogen-bonded Turntrans-71.6-31.5-172.4-169.974.3000112.4L124 D132 Y136 I164 H168 R169L124-H166 HydrophobicContact CD1-CB 3.86Å; D132-H166 IonicContact OD1-CE1 2.93Å; Y136-H166 AromaticContact CE2-CE1 3.87Å; Y136-H166 AromaticContact CE2-ND1 3.41Å; Y136-H166 WeakPolarHBondContact CE2-ND1 3.41Å; Y136-H166 AromaticContact CZ-ND1 3.53Å; Y136-H166 WeakPolarHBondContact OH-CA 3.3Å; Y136-H166 PolarHBondContact OH-ND1 2.98Å; I164-H166 HydrophobicContact CG2-CB 4.26Å; H166-H168 VanDerWaalsContact C-N 3.35Å; H166-R169 PolarHBondContact O-N 3.15Å
167E95.7Very high97.5Very high153 Ų15341.3 Ų41.372%0.71519%0.193SC*.THydrogen-bonded Turntrans-61.9-44177.6-177.5177.9-167.500110.9D165D165-E167 VanDerWaalsContact C-N 3.34Å; D165-E167 PolarHBondContact OD1-N 2.93Å
168H96Very high97.4Very high105 Ų10543 Ų4349%0.48620%0.202SC..THydrogen-bonded Turntrans-98.24.4-179.4-56.293.5000113.9D165 H166 K170D165-H168 VanDerWaalsContact CG-ND1 3.31Å; D165-H168 IonicContact OD1-CG 3.8Å; D165-H168 PolarHBondContact OD1-N 3.1Å; D165-H168 IonicContact OD1-ND1 3.81Å; D165-H168 PolarHBondContact OD1-ND1 3.37Å; D165-H168 IonicContact OD2-CE1 2.68Å; D165-H168 IonicContact OD2-CG 3.2Å; D165-H168 IonicContact OD2-ND1 3.66Å; D165-H168 PolarHBondContact OD2-ND1 3.29Å; H166-H168 VanDerWaalsContact C-N 3.35Å; H168-K170 HydrophobicContact CB-CD 4.23Å; H168-K170 HydrophobicContact CB-CG 4.16Å; H168-K170 PolarHBondContact O-N 2.9Å
169R95.6Very high97.4Very high78 Ų7841.7 Ų41.729%0.29420%0.196SC..THydrogen-bonded Turntrans50.738.7-175-54.7-169.270.381.7-2113.7D132 F135 D165 H166D132-R169 IonicContact OD1-CZ 2.8Å; D132-R169 IonicContact OD1-NH1 3.84Å; D132-R169 PolarHBondContact OD1-NH1 3.05Å; D132-R169 IonicContact OD1-NH2 3.48Å; D132-R169 PolarHBondContact OD1-NH2 3.23Å; D132-R169 VanDerWaalsContact OD1-NH2 3.14Å; F135-R169 VanDerWaalsContact CB-NH2 3.29Å; F135-R169 VanDerWaalsContact CD1-NH2 3.26Å; F135-R169 HydrophobicContact CE1-CB 3.85Å; F135-R169 HydrophobicContact CZ-CB 3.89Å; D165-R169 WeakPolarHBondContact O-CA 3.37Å; D165-R169 PolarHBondContact O-N 3.19Å; H166-R169 PolarHBondContact O-N 3.15Å
170K96.8Very high97.5Very high117 Ų11742.3 Ų42.351%0.50920%0.199SC..EExtended strand (participates in β ladder)trans-100.8139.6178.5-66.4177.7179.71740111I164 D165 H168I164-K170 WeakPolarHBondContact CA-O 3.47Å; D165-K170 HydrophobicContact CB-CB 4.25Å; D165-K170 PolarHBondContact N-O 3.28Å; D165-K170 PolarHBondContact O-N 3.15Å; H168-K170 HydrophobicContact CB-CD 4.23Å; H168-K170 HydrophobicContact CB-CG 4.16Å; H168-K170 PolarHBondContact O-N 2.9Å
171L98.4Very high97.6Very high1 Ų137.5 Ų37.51%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-125.4142177-172.2145.5000110.8N93 Y136 E139 I140 V162 M163 I164N93-L171 HydrophobicContact CB-CD2 4.01Å; N93-L171 WeakPolarHBondContact CB-O 3.41Å; N93-L171 PolarHBondContact OD1-O 3.04Å; Y136-L171 HydrophobicContact CD1-CB 4.49Å; Y136-L171 HydrophobicContact CD1-CD1 3.86Å; Y136-L171 HydrophobicContact CG-CD1 4.41Å; E139-L171 HydrophobicContact CB-CB 4.09Å; E139-L171 HydrophobicContact CB-CD1 4.14Å; E139-L171 HydrophobicContact CB-CD2 4.46Å; E139-L171 HydrophobicContact CB-CG 4.47Å; I140-L171 HydrophobicContact CD1-CD1 4.32Å; I140-L171 HydrophobicContact CG1-CD1 3.64Å; I140-L171 HydrophobicContact CG1-CD2 4Å; I140-L171 HydrophobicContact CG1-CG 4.47Å; V162-L171 HydrophobicContact CG1-CD1 3.57Å; V162-L171 HydrophobicContact CG1-CD2 4.12Å; V162-L171 HydrophobicContact CG1-CG 3.8Å; M163-L171 CarbonylContact O-C 3.54Å; M163-L171 WeakPolarHBondContact O-CA 3.46Å; I164-L171 HydrophobicContact CD1-CD1 4.29Å; I164-L171 HydrophobicContact CG1-CD1 4.05Å; I164-L171 HydrophobicContact CG1-CG 4.35Å
172R98.6Very high97.6Very high52 Ų5237.3 Ų37.320%0.19618%0.175CC..EExtended strand (participates in β ladder)trans-134.6128.6168.8-66.7-64.4-172.6-92.9-4.3111.4N93 I94 I95 E114 V116 M163 I174N93-R172 CarbonylContact O-C 3.6Å; N93-R172 WeakPolarHBondContact O-CA 3.41Å; I94-R172 WeakPolarHBondContact O-CD 3.25Å; I95-R172 HydrophobicContact CB-CB 4.43Å; I95-R172 HydrophobicContact CD1-CB 3.96Å; I95-R172 HydrophobicContact CD1-CG 4Å; E114-R172 VanDerWaalsContact CD-NE 3.33Å; E114-R172 IonicContact OE1-CZ 3.54Å; E114-R172 IonicContact OE1-NE 2.74Å; E114-R172 PolarHBondContact OE1-NE 2.9Å; E114-R172 IonicContact OE1-NH2 3.63Å; E114-R172 IonicContact OE2-CZ 3.48Å; E114-R172 IonicContact OE2-NE 3.68Å; E114-R172 PolarHBondContact OE2-NE 3.12Å; E114-R172 VanDerWaalsContact OE2-NE 3.17Å; E114-R172 IonicContact OE2-NH2 2.69Å; E114-R172 PolarHBondContact OE2-NH2 3.08Å; V116-R172 HydrophobicContact CG2-CB 4.13Å; V116-R172 HydrophobicContact CG2-CG 3.7Å; M163-R172 HydrophobicContact CB-CB 4.42Å; M163-R172 PolarHBondContact N-O 2.82Å; M163-R172 PolarHBondContact O-N 3.24Å; R172-I174 HydrophobicContact CB-CG2 4.34Å
173L98.8Very high97.6Very high0 Ų039 Ų390%018%0.183CC..EExtended strand (participates in β ladder)trans-81.6121.1165.2-175.761.8000109.1N93 I95 A143 L144 V162 W176N93-L173 PolarHBondContact O-N 3.35Å; I95-L173 WeakPolarHBondContact CG2-O 3.48Å; I95-L173 PolarHBondContact N-O 3.19Å; A143-L173 HydrophobicContact CB-CB 4.09Å; A143-L173 HydrophobicContact CB-CD2 4.14Å; L144-L173 HydrophobicContact CD2-CD2 3.88Å; V162-L173 HydrophobicContact CG2-CD1 4.15Å; L173-W176 HydrophobicContact CB-CZ2 4.34Å; L173-W176 HydrophobicContact CD2-CH2 3.88Å; L173-W176 HydrophobicContact CD2-CZ2 3.7Å; L173-W176 HydrophobicContact CG-CZ2 3.93Å; L173-W176 PolarHBondContact O-NE1 2.95Å
174I98.2Very high97.6Very high38 Ų3839.1 Ų39.120%0.19519%0.187CC..  trans-116.3174.3-174.267.5157.7000112.1I95 H154 N161 M163 R172I95-I174 HydrophobicContact CB-CG2 3.86Å; I95-I174 HydrophobicContact CD1-CG2 3.98Å; I95-I174 HydrophobicContact CG1-CG2 3.96Å; I95-I174 HydrophobicContact CG2-CB 4.42Å; I95-I174 HydrophobicContact CG2-CG2 4.25Å; H154-I174 PolarHBondContact NE2-O 3.31Å; H154-I174 VanDerWaalsContact NE2-O 3.08Å; N161-I174 HydrophobicContact CB-CG1 4.19Å; N161-I174 VanDerWaalsContact O-CG1 3.28Å; N161-I174 WeakPolarHBondContact O-CG1 3.48Å; N161-I174 PolarHBondContact O-N 3.06Å; M163-I174 HydrophobicContact CB-CG2 4.42Å; M163-I174 HydrophobicContact CE-CD1 3.71Å; M163-I174 HydrophobicContact CE-CG1 4.28Å; M163-I174 HydrophobicContact CG-CB 4.48Å; M163-I174 HydrophobicContact CG-CD1 3.83Å; M163-I174 HydrophobicContact CG-CG1 4.08Å; M163-I174 HydrophobicContact CG-CG2 3.56Å; M163-I174 HydrophobicContact SD-CD1 3.9Å; R172-I174 HydrophobicContact CB-CG2 4.34Å
175D96.5Very high97.5Very high54 Ų5441 Ų4129%0.28921%0.207SC..  trans60.968.6173-160.510.8000115.4K68 G177K68-D175 IonicContact NZ-OD1 3.56Å; K68-D175 PolarHBondContact NZ-OD1 3.02Å; D175-G177 PolarHBondContact O-N 3.37Å
176W98Very high97.5Very high1 Ų144.2 Ų44.20%0.00422%0.221CC..G310 helixtrans-80.412.5177.6-62.581.2000113.7I84 L85 L88 I94 C147 I152 H154 L173 L178 A179I84-W176 HydrophobicContact CG2-CB 4.19Å; I84-W176 HydrophobicContact CG2-CD2 4.27Å; I84-W176 HydrophobicContact CG2-CE3 3.77Å; I84-W176 HydrophobicContact CG2-CG 4.47Å; L85-W176 HydrophobicContact CD2-CB 4.23Å; L85-W176 VanDerWaalsContact CD2-CD1 3.44Å; L85-W176 HydrophobicContact CD2-CG 3.9Å; L85-W176 HydrophobicContact CG-CB 4.24Å; L85-W176 HydrophobicContact CG-CG 4.4Å; L88-W176 HydrophobicContact CD1-CD2 3.96Å; L88-W176 HydrophobicContact CD1-CE3 3.51Å; L88-W176 HydrophobicContact CD1-CH2 3.54Å; L88-W176 HydrophobicContact CD1-CZ2 3.97Å; L88-W176 HydrophobicContact CD1-CZ3 3.28Å; I94-W176 HydrophobicContact CD1-CH2 3.72Å; I94-W176 HydrophobicContact CD1-CZ2 3.42Å; I94-W176 VanDerWaalsContact CD1-CZ2 3.42Å; I94-W176 HydrophobicContact CG2-CZ2 3.92Å; C147-W176 HydrophobicContact CB-CH2 3.52Å; C147-W176 HydrophobicContact CB-CZ3 3.72Å; I152-W176 HydrophobicContact CG2-CE3 4.31Å; I152-W176 HydrophobicContact CG2-CZ3 4.07Å; H154-W176 HydrophobicContact CB-CZ3 4.17Å; H154-W176 AromaticContact CD2-CD2 3.74Å; H154-W176 AromaticContact CD2-CE2 3.8Å; H154-W176 AromaticContact CD2-CE3 3.65Å; H154-W176 AromaticContact CD2-CH2 3.72Å; H154-W176 AromaticContact CD2-CZ2 3.79Å; H154-W176 AromaticContact CD2-CZ3 3.65Å; L173-W176 HydrophobicContact CB-CZ2 4.34Å; L173-W176 HydrophobicContact CD2-CH2 3.88Å; L173-W176 HydrophobicContact CD2-CZ2 3.7Å; L173-W176 HydrophobicContact CG-CZ2 3.93Å; L173-W176 PolarHBondContact O-NE1 2.95Å; W176-L178 PolarHBondContact O-N 3.32Å; W176-A179 HydrophobicContact CB-CB 4.21Å; W176-A179 HydrophobicContact CE3-CB 3.74Å; W176-A179 VanDerWaalsContact O-CB 3.27Å; W176-A179 WeakPolarHBondContact O-CB 3.48Å; W176-A179 PolarHBondContact O-N 3.19Å
177G96.3Very high97.5Very high16 Ų1647.2 Ų47.217%0.16524%0.235CC..G310 helixtrans-65.5-22.6-176.400000114.4R80 E81 D175R80-G177 PolarHBondContact NH2-O 3.5Å; E81-G177 VanDerWaalsContact CD-CA 3.48Å; E81-G177 WeakPolarHBondContact OE2-CA 3.48Å; D175-G177 PolarHBondContact O-N 3.37Å
178L97.2Very high97.6Very high37 Ų3740.2 Ų40.219%0.19420%0.202CC..G310 helixtrans-98.9-6.4173.7-67-176.2000113.9H154 R155 D156 W176H154-L178 CarbonylContact O-C 3.58Å; R155-L178 PolarHBondContact NE-O 2.76Å; R155-L178 PolarHBondContact NH2-O 3.18Å; D156-L178 HydrophobicContact CB-CB 4.28Å; D156-L178 HydrophobicContact CB-CD1 3.91Å; W176-L178 PolarHBondContact O-N 3.32Å
179A98.6Very high97.7Very high0 Ų039.9 Ų39.90%020%0.204CC..  trans-62.6161.1-179.800000112.6R80 I84 I152 M153 H154 W176R80-A179 WeakPolarHBondContact CD-O 2.89Å; R80-A179 PolarHBondContact NE-O 3.22Å; I84-A179 HydrophobicContact CD1-CB 3.66Å; I84-A179 HydrophobicContact CG2-CB 4.15Å; I152-A179 HydrophobicContact CG2-CB 4.17Å; M153-A179 CarbonylContact O-C 3.45Å; M153-A179 WeakPolarHBondContact O-CA 3.46Å; M153-A179 VanDerWaalsContact O-CB 3.26Å; M153-A179 WeakPolarHBondContact O-CB 3.48Å; H154-A179 WeakPolarHBondContact O-CA 3.34Å; H154-A179 PolarHBondContact O-N 2.89Å; W176-A179 HydrophobicContact CB-CB 4.21Å; W176-A179 HydrophobicContact CE3-CB 3.74Å; W176-A179 VanDerWaalsContact O-CB 3.27Å; W176-A179 WeakPolarHBondContact O-CB 3.48Å; W176-A179 PolarHBondContact O-N 3.19Å
180E98.7Very high97.8Very high14 Ų1437 Ų377%0.06520%0.195CC..EExtended strand (participates in β ladder)trans-154.6151.7-179.8-160.165.7-103.600112.2Y26 R80 I152 M153 R155 Y188Y26-E180 WeakPolarHBondContact CE1-OE1 3.49Å; Y26-E180 PolarHBondContact OH-OE1 3.43Å; R80-E180 WeakPolarHBondContact CD-OE1 3.34Å; R80-E180 WeakPolarHBondContact CD-OE2 3.4Å; R80-E180 IonicContact CZ-OE2 3.31Å; R80-E180 IonicContact NE-OE2 2.81Å; R80-E180 IonicContact NH1-OE2 2.91Å; R80-E180 PolarHBondContact NH1-OE2 2.85Å; I152-E180 CarbonylContact C-O 3.58Å; I152-E180 WeakPolarHBondContact CA-O 3.42Å; M153-E180 HydrophobicContact CE-CB 4.38Å; M153-E180 PolarHBondContact N-O 3.19Å; M153-E180 PolarHBondContact O-N 3.4Å; R155-E180 IonicContact NH2-OE2 2.6Å; R155-E180 PolarHBondContact NH2-OE2 3.25Å; E180-Y188 HydrophobicContact CB-CE1 4.46Å; E180-Y188 HydrophobicContact CG-CD1 3.96Å; E180-Y188 HydrophobicContact CG-CE1 3.63Å
181F98.7Very high97.8Very high3 Ų341.8 Ų41.81%0.01321%0.21CC..EExtended strand (participates in β ladder)trans-71.8129166.9-64.7-82.5000110.7Y23 W24 Y26 K83 I84 N87 G151 I152 Y188Y23-F181 HydrophobicContact CD1-CE1 4.15Å; Y23-F181 HydrophobicContact CE1-CD1 4.2Å; Y23-F181 AromaticContact CE1-CE1 3.82Å; Y23-F181 HydrophobicContact CE1-CE1 3.82Å; W24-F181 HydrophobicContact CB-CB 4.16Å; W24-F181 HydrophobicContact CB-CD1 3.8Å; W24-F181 HydrophobicContact CB-CD2 4.23Å; W24-F181 HydrophobicContact CB-CE1 4.25Å; W24-F181 HydrophobicContact CB-CG 3.79Å; Y26-F181 AromaticContact CD1-CD2 3.77Å; Y26-F181 HydrophobicContact CD1-CD2 3.77Å; Y26-F181 AromaticContact CD1-CE2 3.86Å; Y26-F181 HydrophobicContact CD1-CE2 3.86Å; Y26-F181 HydrophobicContact CE1-CD2 4.14Å; K83-F181 HydrophobicContact CG-CE2 4.4Å; K83-F181 HydrophobicContact CG-CZ 4.21Å; I84-F181 HydrophobicContact CD1-CD2 4.44Å; I84-F181 HydrophobicContact CD1-CE2 4.17Å; I84-F181 HydrophobicContact CG1-CD2 4.24Å; I84-F181 HydrophobicContact CG1-CE1 4.45Å; I84-F181 HydrophobicContact CG1-CE2 3.54Å; I84-F181 HydrophobicContact CG1-CZ 3.66Å; N87-F181 WeakPolarHBondContact ND2-CE1 3.32Å; N87-F181 WeakPolarHBondContact ND2-CZ 2.96Å; G151-F181 CarbonylContact O-C 3.59Å; G151-F181 WeakPolarHBondContact O-CA 3.23Å; I152-F181 HydrophobicContact CD1-CD1 4.35Å; I152-F181 HydrophobicContact CD1-CE1 3.8Å; I152-F181 HydrophobicContact CD1-CZ 4.36Å; I152-F181 HydrophobicContact CG1-CD1 3.72Å; I152-F181 HydrophobicContact CG1-CE1 3.69Å; I152-F181 HydrophobicContact CG1-CG 4.49Å; I152-F181 HydrophobicContact CG1-CZ 4.42Å; F181-Y188 PolarHBondContact O-OH 3.23Å
182Y98.8Very high97.7Very high4 Ų442.1 Ų42.12%0.01621%0.212CC..  trans-81.5132.4174.8177.9-97.6000111.6R8 A9 T13 N16 G151 M153 P184 Y188 D210 Y211R8-Y182 WeakPolarHBondContact CA-OH 3.31Å; A9-Y182 HydrophobicContact CB-CD1 4.5Å; A9-Y182 HydrophobicContact CB-CE1 3.8Å; A9-Y182 PolarHBondContact N-OH 3.46Å; T13-Y182 HydrophobicContact CG2-CE1 4.34Å; N16-Y182 PolarHBondContact ND2-N 2.63Å; N16-Y182 PolarHBondContact ND2-O 3Å; G151-Y182 PolarHBondContact O-N 3.28Å; M153-Y182 HydrophobicContact CE-CD2 4.06Å; M153-Y182 HydrophobicContact SD-CD2 4.09Å; Y182-P184 HydrophobicContact CE1-CG 4.08Å; Y182-Y188 WeakPolarHBondContact CA-OH 3.41Å; Y182-Y188 HydrophobicContact CD2-CE2 4.08Å; Y182-Y188 HydrophobicContact CE2-CE2 4.41Å; Y182-D210 HydrophobicContact CD2-CB 3.91Å; Y182-D210 HydrophobicContact CE2-CB 3.41Å; Y182-D210 VanDerWaalsContact CE2-CB 3.41Å; Y182-Y211 VanDerWaalsContact CB-CE1 3.48Å; Y182-Y211 VanDerWaalsContact CB-CZ 3.5Å; Y182-Y211 WeakPolarHBondContact CB-OH 3.34Å; Y182-Y211 HydrophobicContact CD1-CE1 4.4Å; Y182-Y211 AromaticContact CD1-CE2 3.81Å; Y182-Y211 HydrophobicContact CD1-CE2 3.81Å; Y182-Y211 AromaticContact CD1-CZ 3.56Å; Y182-Y211 WeakPolarHBondContact CD1-OH 3.14Å; Y182-Y211 HydrophobicContact CE1-CE2 4.31Å; Y182-Y211 HydrophobicContact CG-CE1 4Å; Y182-Y211 HydrophobicContact CG-CE2 4.07Å; Y182-Y211 AromaticContact CG-CZ 3.61Å
183H98.4Very high97.6Very high37 Ų3740.3 Ų40.317%0.17121%0.208CC..  trans-133.8130.1173.4-66.3-81000107.7W24 G185 Q186 Y188W24-H183 AromaticContact CD2-CE1 3.67Å; W24-H183 AromaticContact CD2-NE2 3.94Å; W24-H183 AromaticContact CE3-NE2 3.93Å; W24-H183 AromaticContact CG-CE1 3.76Å; H183-G185 PolarHBondContact O-N 2.87Å; H183-Q186 HydrophobicContact CB-CB 4.09Å; H183-Q186 PolarHBondContact CD2-OE1 2.84Å; H183-Q186 VanDerWaalsContact CD2-OE1 3.32Å; H183-Q186 VanDerWaalsContact O-CB 3.29Å; H183-Q186 WeakPolarHBondContact O-CB 3.45Å; H183-Q186 PolarHBondContact O-N 2.9Å; H183-Q186 VanDerWaalsContact O-N 3.15Å; H183-Y188 PolarHBondContact N-OH 3.3Å
184P97.6Very high97.4Very high37 Ų3742.1 Ų42.124%0.2422%0.221CC..THydrogen-bonded Turntrans-58.3134-178-25.234.3000112.8R8 T13 Y182 Q186R8-P184 HydrophobicContact CG-CB 4.29Å; T13-P184 HydrophobicContact CG2-CB 4.3Å; T13-P184 HydrophobicContact CG2-CG 3.78Å; T13-P184 WeakPolarHBondContact O-CD 3.49Å; T13-P184 WeakPolarHBondContact O-CG 3.39Å; Y182-P184 HydrophobicContact CE1-CG 4.08Å; P184-Q186 PolarHBondContact O-N 3.33Å
185G95.4Very high97.4Very high43 Ų4344.5 Ų44.544%0.44323%0.227SC..THydrogen-bonded Turntrans73.90.9179.700000114.9H183H183-G185 PolarHBondContact O-N 2.87Å
186Q97.2Very high97.5Very high83 Ų8345 Ų4539%0.38823%0.225SC..  trans-73.7132.4173.9-179.6170.3-22.200110.7H183 P184 Y188H183-Q186 HydrophobicContact CB-CB 4.09Å; H183-Q186 PolarHBondContact CD2-OE1 2.84Å; H183-Q186 VanDerWaalsContact CD2-OE1 3.32Å; H183-Q186 VanDerWaalsContact O-CB 3.29Å; H183-Q186 WeakPolarHBondContact O-CB 3.45Å; H183-Q186 PolarHBondContact O-N 2.9Å; H183-Q186 VanDerWaalsContact O-N 3.15Å; P184-Q186 PolarHBondContact O-N 3.33Å; Q186-Y188 HydrophobicContact CB-CE2 3.91Å; Q186-Y188 HydrophobicContact CG-CD1 4.48Å; Q186-Y188 HydrophobicContact CG-CE1 3.99Å; Q186-Y188 HydrophobicContact CG-CE2 4.11Å; Q186-Y188 VanDerWaalsContact O-CD2 3.28Å; Q186-Y188 WeakPolarHBondContact O-CD2 3.28Å; Q186-Y188 WeakPolarHBondContact O-CE2 3.43Å; Q186-Y188 PolarHBondContact OE1-OH 3.31Å
187E97.9Very high97.6Very high118 Ų11845.2 Ų45.255%0.55123%0.227SC*.  trans-79.6126.6169.5-68.6177.7172.200110.4Q207 M208E187-Q207 HydrophobicContact CB-CB 3.93Å; E187-Q207 HydrophobicContact CG-CB 4.14Å; E187-M208 HydrophobicContact CG-CG 3.99Å
188Y98.2Very high97.7Very high6 Ų645 Ų452%0.02422%0.221CC..  trans-110.8146.6178.4-64.8-78.1000111.5M153 E180 F181 Y182 H183 Q186 V190 Q207 Y209M153-Y188 HydrophobicContact CE-CD1 4.12Å; M153-Y188 HydrophobicContact CE-CD2 4.01Å; M153-Y188 HydrophobicContact CE-CE1 3.88Å; M153-Y188 HydrophobicContact CE-CE2 3.77Å; M153-Y188 HydrophobicContact CE-CG 4.19Å; E180-Y188 HydrophobicContact CB-CE1 4.46Å; E180-Y188 HydrophobicContact CG-CD1 3.96Å; E180-Y188 HydrophobicContact CG-CE1 3.63Å; F181-Y188 PolarHBondContact O-OH 3.23Å; Y182-Y188 WeakPolarHBondContact CA-OH 3.41Å; Y182-Y188 HydrophobicContact CD2-CE2 4.08Å; Y182-Y188 HydrophobicContact CE2-CE2 4.41Å; H183-Y188 PolarHBondContact N-OH 3.3Å; Q186-Y188 HydrophobicContact CB-CE2 3.91Å; Q186-Y188 HydrophobicContact CG-CD1 4.48Å; Q186-Y188 HydrophobicContact CG-CE1 3.99Å; Q186-Y188 HydrophobicContact CG-CE2 4.11Å; Q186-Y188 VanDerWaalsContact O-CD2 3.28Å; Q186-Y188 WeakPolarHBondContact O-CD2 3.28Å; Q186-Y188 WeakPolarHBondContact O-CE2 3.43Å; Q186-Y188 PolarHBondContact OE1-OH 3.31Å; Y188-V190 PolarHBondContact O-N 3.4Å; Y188-Q207 PolarHBondContact N-O 3.16Å; Y188-Q207 WeakPolarHBondContact O-CB 3.33Å; Y188-Y209 WeakPolarHBondContact CB-OH 3.38Å
189N97.7Very high97.8Very high99 Ų9943.2 Ų43.253%0.52921%0.212SC..  trans-62.5129.6176.5-166-45.2000111.2R191 Y209N189-R191 VanDerWaalsContact C-N 3.34Å; N189-R191 WeakPolarHBondContact OD1-CA 3.46Å; N189-R191 VanDerWaalsContact OD1-CB 3.23Å; N189-R191 WeakPolarHBondContact OD1-CB 3.4Å; N189-R191 PolarHBondContact OD1-N 2.94Å; N189-Y209 PolarHBondContact O-OH 3.34Å
190V97.9Very high97.8Very high17 Ų1743.2 Ų43.210%0.10321%0.212CC..SBendtrans-81.6-10.3179.7-61.50000114.4Y188 V192 K198 L202 D205 Q207 Y209Y188-V190 PolarHBondContact O-N 3.4Å; V190-V192 PolarHBondContact O-N 3.43Å; V190-K198 PolarHBondContact O-NZ 3.17Å; V190-K198 VanDerWaalsContact O-NZ 3.12Å; V190-L202 HydrophobicContact CB-CB 4.29Å; V190-L202 HydrophobicContact CB-CD2 4.16Å; V190-L202 HydrophobicContact CG1-CD2 4.22Å; V190-D205 WeakPolarHBondContact CG2-OD1 3.2Å; V190-Q207 HydrophobicContact CG1-CG 4.01Å; V190-Y209 HydrophobicContact CG1-CE1 4.36Å
191R97.1Very high97.8Very high218 Ų21842.6 Ų42.682%0.82321%0.209SC*.  trans-81.146.1177.2-56.7-178.3178.51660.8111.7N189N189-R191 VanDerWaalsContact C-N 3.34Å; N189-R191 WeakPolarHBondContact OD1-CA 3.46Å; N189-R191 VanDerWaalsContact OD1-CB 3.23Å; N189-R191 WeakPolarHBondContact OD1-CB 3.4Å; N189-R191 PolarHBondContact OD1-N 2.94Å
192V97.1Very high97.8Very high8 Ų842.8 Ų42.85%0.04821%0.21CC..  trans-115.7171.8173.4-61.70000110.2R155 V190 K198 L202 Y209 L213R155-V192 HydrophobicContact CB-CB 4.19Å; R155-V192 HydrophobicContact CB-CG2 4.15Å; V190-V192 PolarHBondContact O-N 3.43Å; V192-K198 PolarHBondContact O-NZ 3.27Å; V192-L202 HydrophobicContact CG2-CD1 3.78Å; V192-L202 HydrophobicContact CG2-CD2 4.15Å; V192-Y209 WeakPolarHBondContact CG2-OH 3.25Å; V192-L213 HydrophobicContact CG2-CD2 4.22Å
193A94.9Very high97.7Very high14 Ų1443.3 Ų43.312%0.11621%0.213CC..SBendtrans59.6155.5-173.500000115.5R155 D156 K198 L202R155-A193 WeakPolarHBondContact O-CA 3.31Å; R155-A193 WeakPolarHBondContact O-CB 3.16Å; R155-A193 PolarHBondContact O-N 2.79Å; D156-A193 WeakPolarHBondContact OD1-CA 3.23Å; A193-K198 HydrophobicContact CB-CG 4.13Å; A193-L202 HydrophobicContact CB-CD1 4.19Å
194S95.8Very high97.7Very high37 Ų3741.8 Ų41.826%0.25921%0.206SC..  trans-76.4141.6170.7-57.70000110.6D156 K158 Y196 F197 K198D156-S194 PolarHBondContact OD1-N 3.16Å; D156-S194 PolarHBondContact OD1-OG 3.36Å; K158-S194 WeakPolarHBondContact CD-OG 3.44Å; K158-S194 WeakPolarHBondContact CE-OG 3.39Å; K158-S194 PolarHBondContact NZ-OG 2.87Å; S194-Y196 VanDerWaalsContact C-N 3.32Å; S194-Y196 PolarHBondContact O-N 2.83Å; S194-Y196 VanDerWaalsContact O-N 3.08Å; S194-F197 PolarHBondContact O-N 3.3Å; S194-K198 PolarHBondContact O-N 3.26Å
195R98.3Very high97.7Very high88 Ų8844.6 Ų44.633%0.33222%0.219SC..G310 helixtrans-44-50.5-168.3-173.8-167.9-61.3132-2.6114.4F197 K198 G235 H236 D237 Q241R195-F197 PolarHBondContact O-N 3.42Å; R195-F197 VanDerWaalsContact O-N 3.15Å; R195-K198 WeakPolarHBondContact O-CB 3.29Å; R195-K198 PolarHBondContact O-N 3.24Å; R195-G235 WeakPolarHBondContact CD-O 3.41Å; R195-G235 PolarHBondContact NH1-O 3.27Å; R195-H236 PolarHBondContact NH1-O 3.15Å; R195-H236 PolarHBondContact NH2-O 3.37Å; R195-D237 WeakPolarHBondContact CD-O 3.46Å; R195-Q241 HydrophobicContact CG-CB 4.08Å; R195-Q241 HydrophobicContact CG-CG 4.14Å; R195-Q241 WeakPolarHBondContact O-CG 3.28Å
196Y98.6Very high97.9Very high64 Ų6442.6 Ų42.625%0.25120%0.199SC..G310 helixtrans-66.2-16.2-175-51-42.1000114.5S194 P231 F233 H234 G235S194-Y196 VanDerWaalsContact C-N 3.32Å; S194-Y196 PolarHBondContact O-N 2.83Å; S194-Y196 VanDerWaalsContact O-N 3.08Å; Y196-P231 HydrophobicContact CD1-CB 4.25Å; Y196-P231 HydrophobicContact CD1-CG 3.99Å; Y196-P231 HydrophobicContact CD2-CB 3.66Å; Y196-P231 HydrophobicContact CD2-CG 3.57Å; Y196-P231 HydrophobicContact CE1-CG 4.21Å; Y196-P231 HydrophobicContact CE2-CB 4.38Å; Y196-P231 HydrophobicContact CE2-CG 3.78Å; Y196-P231 HydrophobicContact CG-CB 3.59Å; Y196-P231 HydrophobicContact CG-CG 3.68Å; Y196-F233 WeakPolarHBondContact CD1-O 3.28Å; Y196-H234 AromaticContact CE1-CD2 3.57Å; Y196-H234 AromaticContact CZ-CD2 3.68Å; Y196-H234 AromaticContact CZ-NE2 3.8Å; Y196-H234 PolarHBondContact OH-CD2 3.44Å; Y196-H234 PolarHBondContact OH-NE2 3.24Å; Y196-G235 WeakPolarHBondContact CE1-O 3.41Å
197F98.7Very high97.9Very high7 Ų741.8 Ų41.83%0.03120%0.195CC..G310 helixtrans-114.13.4-176.9-55.9-83.1000112.4K158 P159 S194 R195 G199 S217 C220 M221K158-F197 HydrophobicContact CB-CD1 4.31Å; K158-F197 HydrophobicContact CB-CD2 3.56Å; K158-F197 HydrophobicContact CB-CE1 4.4Å; K158-F197 HydrophobicContact CB-CE2 3.65Å; K158-F197 HydrophobicContact CB-CG 3.92Å; K158-F197 HydrophobicContact CB-CZ 4.11Å; P159-F197 HydrophobicContact CG-CE1 4.38Å; P159-F197 HydrophobicContact CG-CZ 3.99Å; S194-F197 PolarHBondContact O-N 3.3Å; R195-F197 PolarHBondContact O-N 3.42Å; R195-F197 VanDerWaalsContact O-N 3.15Å; F197-G199 PolarHBondContact O-N 3.1Å; F197-S217 PolarHBondContact O-OG 3.3Å; F197-C220 HydrophobicContact CD1-CB 3.71Å; F197-C220 HydrophobicContact CE1-CB 4.12Å; F197-M221 HydrophobicContact CD1-CG 4.06Å; F197-M221 HydrophobicContact CE1-CG 3.64Å
198K98.8Very high97.9Very high11 Ų1136.9 Ų36.95%0.04817%0.172CC..  trans-65.7128.1174.9-73.8179.3171.1-73.90110.3V190 V192 A193 S194 R195 L202 L203 W216V190-K198 PolarHBondContact O-NZ 3.17Å; V190-K198 VanDerWaalsContact O-NZ 3.12Å; V192-K198 PolarHBondContact O-NZ 3.27Å; A193-K198 HydrophobicContact CB-CG 4.13Å; S194-K198 PolarHBondContact O-N 3.26Å; R195-K198 WeakPolarHBondContact O-CB 3.29Å; R195-K198 PolarHBondContact O-N 3.24Å; K198-L202 HydrophobicContact CB-CB 4.36Å; K198-L202 HydrophobicContact CB-CD1 4.17Å; K198-L202 HydrophobicContact CG-CD1 4.03Å; K198-L203 HydrophobicContact CB-CD2 3.96Å; K198-L203 HydrophobicContact CB-CG 4.23Å; K198-L203 HydrophobicContact CD-CD2 3.75Å; K198-W216 PolarHBondContact O-NE1 3.32Å
199G98.7Very high97.9Very high0 Ų036.6 Ų36.60%017%0.171CC..  trans-64151.5167.800000112F197 E201 L202F197-G199 PolarHBondContact O-N 3.1Å; G199-E201 VanDerWaalsContact C-OE2 3.3Å; G199-E201 WeakPolarHBondContact CA-OE2 3.49Å; G199-E201 PolarHBondContact O-N 3.06Å; G199-L202 WeakPolarHBondContact O-CB 3.25Å; G199-L202 PolarHBondContact O-N 2.95Å
200P98.7Very high98Very high0 Ų032.1 Ų32.10%015%0.147CC..Hα-helixtrans-48.9-39174.6-29.435.7000113.2L202 L203 V204 W216 L242 Y307P200-L202 PolarHBondContact O-N 3.43Å; P200-L203 WeakPolarHBondContact O-CA 3.34Å; P200-L203 WeakPolarHBondContact O-CB 3.28Å; P200-L203 PolarHBondContact O-N 3.07Å; P200-V204 WeakPolarHBondContact O-CG2 3.39Å; P200-V204 PolarHBondContact O-N 3.34Å; P200-W216 HydrophobicContact CG-CD2 4.43Å; P200-W216 HydrophobicContact CG-CE3 4.09Å; P200-W216 HydrophobicContact CG-CH2 3.65Å; P200-W216 HydrophobicContact CG-CZ2 4.02Å; P200-W216 HydrophobicContact CG-CZ3 3.68Å; P200-L242 HydrophobicContact CB-CD1 4.48Å; P200-Y307 HydrophobicContact CB-CD1 3.82Å; P200-Y307 HydrophobicContact CB-CE1 4.38Å; P200-Y307 HydrophobicContact CG-CD1 3.71Å; P200-Y307 HydrophobicContact CG-CE1 4.18Å
201E98.7Very high98Very high0 Ų031.6 Ų31.60%014%0.143CC..Hα-helixtrans-52.4-36.8175.160.2-87.7-149.800113.1G199 D205 Y206 Y209 L213 R312G199-E201 VanDerWaalsContact C-OE2 3.3Å; G199-E201 WeakPolarHBondContact CA-OE2 3.49Å; G199-E201 PolarHBondContact O-N 3.06Å; E201-D205 PolarHBondContact O-N 2.92Å; E201-Y206 HydrophobicContact CB-CD1 4.3Å; E201-Y206 PolarHBondContact O-N 3.34Å; E201-Y209 HydrophobicContact CG-CG 4.45Å; E201-L213 HydrophobicContact CG-CD1 4.48Å; E201-L213 WeakPolarHBondContact OE1-CA 3.41Å; E201-R312 IonicContact OE1-CZ 3Å; E201-R312 IonicContact OE1-NH1 2.86Å; E201-R312 PolarHBondContact OE1-NH1 3.44Å; E201-R312 IonicContact OE1-NH2 3.79Å; E201-R312 IonicContact OE2-CZ 3.36Å; E201-R312 IonicContact OE2-NH1 3.67Å; E201-R312 PolarHBondContact OE2-NH1 2.75Å; E201-R312 IonicContact OE2-NH2 2.89Å; E201-R312 PolarHBondContact OE2-NH2 2.79Å
202L98.6Very high98.1Very high7 Ų721.7 Ų21.74%0.03711%0.107CC..Hα-helixtrans-77.7-24.7177.3-52.6-172.9000112.7V190 V192 A193 K198 G199 P200 Y209 L213V190-L202 HydrophobicContact CB-CB 4.29Å; V190-L202 HydrophobicContact CB-CD2 4.16Å; V190-L202 HydrophobicContact CG1-CD2 4.22Å; V192-L202 HydrophobicContact CG2-CD1 3.78Å; V192-L202 HydrophobicContact CG2-CD2 4.15Å; A193-L202 HydrophobicContact CB-CD1 4.19Å; K198-L202 HydrophobicContact CB-CB 4.36Å; K198-L202 HydrophobicContact CB-CD1 4.17Å; K198-L202 HydrophobicContact CG-CD1 4.03Å; G199-L202 WeakPolarHBondContact O-CB 3.25Å; G199-L202 PolarHBondContact O-N 2.95Å; P200-L202 PolarHBondContact O-N 3.43Å; L202-Y209 HydrophobicContact CD2-CD1 3.72Å; L202-Y209 HydrophobicContact CD2-CE1 3.53Å; L202-Y209 HydrophobicContact CD2-CE2 4.47Å; L202-Y209 HydrophobicContact CD2-CG 4.26Å; L202-L213 HydrophobicContact CD1-CD1 3.64Å; L202-L213 HydrophobicContact CD1-CD2 4.03Å; L202-L213 HydrophobicContact CD1-CG 4.48Å; L202-L213 HydrophobicContact CD2-CD1 4.27Å; L202-L213 HydrophobicContact CD2-CD2 4.15Å; L202-L213 HydrophobicContact CG-CD1 3.79Å; L202-L213 HydrophobicContact CG-CD2 4.43Å
203L98.6Very high98.2Very high15 Ų1521.4 Ų21.48%0.07911%0.105CC..Hα-helixtrans-87.7-24.9-176-57.8174.7000112.1K198 P200 N238 Q241 L242 I245K198-L203 HydrophobicContact CB-CD2 3.96Å; K198-L203 HydrophobicContact CB-CG 4.23Å; K198-L203 HydrophobicContact CD-CD2 3.75Å; P200-L203 WeakPolarHBondContact O-CA 3.34Å; P200-L203 WeakPolarHBondContact O-CB 3.28Å; P200-L203 PolarHBondContact O-N 3.07Å; L203-N238 HydrophobicContact CD2-CB 4.1Å; L203-Q241 HydrophobicContact CD1-CB 4.18Å; L203-Q241 HydrophobicContact CD1-CG 3.79Å; L203-Q241 HydrophobicContact CD2-CB 4.21Å; L203-Q241 HydrophobicContact CD2-CG 4.21Å; L203-L242 HydrophobicContact CB-CB 4.16Å; L203-L242 HydrophobicContact CB-CD1 4.25Å; L203-L242 HydrophobicContact CD1-CB 4.05Å; L203-L242 HydrophobicContact CD1-CD1 4.2Å; L203-I245 HydrophobicContact CD1-CD1 3.59Å
204V98.1Very high98.4Very high5 Ų520.7 Ų20.73%0.0310%0.1CC..THydrogen-bonded Turntrans-101.213.8173.8-53.90000113P200 Y206 L242 Y257 I263 L265P200-V204 WeakPolarHBondContact O-CG2 3.39Å; P200-V204 PolarHBondContact O-N 3.34Å; V204-Y206 VanDerWaalsContact C-N 3.31Å; V204-Y206 PolarHBondContact O-N 3.11Å; V204-L242 HydrophobicContact CG1-CD1 4.42Å; V204-L242 HydrophobicContact CG1-CD2 3.66Å; V204-Y257 HydrophobicContact CG2-CE1 4.13Å; V204-I263 HydrophobicContact CB-CG2 4.04Å; V204-I263 HydrophobicContact CG2-CD1 3.8Å; V204-I263 HydrophobicContact CG2-CG2 3.98Å; V204-I263 VanDerWaalsContact O-CG2 3.28Å; V204-I263 WeakPolarHBondContact O-CG2 3.13Å; V204-L265 HydrophobicContact CB-CD1 4.18Å; V204-L265 HydrophobicContact CG1-CD1 3.8Å
205D97.7Very high98.5Very high96 Ų9619 Ų1951%0.5139%0.088SC..THydrogen-bonded Turntrans57.432.7179-153.414.9000115.4V190 E201 Q207V190-D205 WeakPolarHBondContact CG2-OD1 3.2Å; E201-D205 PolarHBondContact O-N 2.92Å; D205-Q207 PolarHBondContact O-N 2.91Å; D205-Q207 PolarHBondContact OD1-NE2 3.33Å
206Y98.2Very high98.6Very high2 Ų214.8 Ų14.81%0.0087%0.072CC..  trans-82.1106.6173.5-173-103.6000110.7P4 V5 S7 E201 V204 M208 Y261 I263 H309P4-Y206 HydrophobicContact CB-CD2 4.22Å; P4-Y206 HydrophobicContact CB-CE2 4.02Å; V5-Y206 WeakPolarHBondContact O-CE2 3.3Å; V5-Y206 PolarHBondContact O-OH 3.45Å; S7-Y206 WeakPolarHBondContact CB-OH 3.5Å; S7-Y206 PolarHBondContact N-OH 2.85Å; S7-Y206 VanDerWaalsContact N-OH 3.1Å; E201-Y206 HydrophobicContact CB-CD1 4.3Å; E201-Y206 PolarHBondContact O-N 3.34Å; V204-Y206 VanDerWaalsContact C-N 3.31Å; V204-Y206 PolarHBondContact O-N 3.11Å; Y206-M208 HydrophobicContact CE1-CB 4.02Å; Y206-M208 WeakPolarHBondContact CE1-O 3.39Å; Y206-M208 HydrophobicContact CE2-CE 4.14Å; Y206-Y261 HydrophobicContact CE2-CD1 4.2Å; Y206-Y261 HydrophobicContact CE2-CG 4.36Å; Y206-Y261 AromaticContact CZ-CD1 3.87Å; Y206-I263 HydrophobicContact CD2-CD1 3.88Å; Y206-I263 HydrophobicContact CD2-CG1 3.85Å; Y206-I263 HydrophobicContact CG-CD1 4.11Å; Y206-H309 AromaticContact CE1-CE1 3.57Å
207Q98.1Very high98.6Very high66 Ų6611.8 Ų11.831%0.3086%0.06SC..  trans-85.9-18-168.2-61.8-173.2-7.500114.6E187 Y188 V190 D205 Y209E187-Q207 HydrophobicContact CB-CB 3.93Å; E187-Q207 HydrophobicContact CG-CB 4.14Å; Y188-Q207 PolarHBondContact N-O 3.16Å; Y188-Q207 WeakPolarHBondContact O-CB 3.33Å; V190-Q207 HydrophobicContact CG1-CG 4.01Å; D205-Q207 PolarHBondContact O-N 2.91Å; D205-Q207 PolarHBondContact OD1-NE2 3.33Å; Q207-Y209 PolarHBondContact O-N 3.02Å; Q207-Y209 VanDerWaalsContact O-N 3.15Å
208M97.8Very high98.6Very high15 Ų1511.4 Ų11.47%0.0746%0.059CC..  trans-89.444.7-178.7-65.9177.9-76.500112.2P4 P6 E187 Y206P4-M208 HydrophobicContact CB-CE 4.03Å; P4-M208 HydrophobicContact CG-CE 3.91Å; P6-M208 HydrophobicContact CB-CE 4.42Å; P6-M208 HydrophobicContact CB-SD 3.91Å; P6-M208 HydrophobicContact CG-SD 4.3Å; E187-M208 HydrophobicContact CG-CG 3.99Å; Y206-M208 HydrophobicContact CE1-CB 4.02Å; Y206-M208 WeakPolarHBondContact CE1-O 3.39Å; Y206-M208 HydrophobicContact CE2-CE 4.14Å
209Y98.5Very high98.6Very high0 Ų010.9 Ų10.90%06%0.056CC..  trans-83167.5177.565.5-97.6000112.2M153 R155 Y188 N189 V190 V192 E201 L202 Q207 L213M153-Y209 HydrophobicContact CE-CE2 4.45Å; M153-Y209 HydrophobicContact SD-CD2 4.14Å; M153-Y209 HydrophobicContact SD-CE2 4.14Å; R155-Y209 WeakPolarHBondContact CD-OH 3.39Å; R155-Y209 HydrophobicContact CG-CE2 4.48Å; R155-Y209 PolarHBondContact NH1-OH 3.09Å; Y188-Y209 WeakPolarHBondContact CB-OH 3.38Å; N189-Y209 PolarHBondContact O-OH 3.34Å; V190-Y209 HydrophobicContact CG1-CE1 4.36Å; V192-Y209 WeakPolarHBondContact CG2-OH 3.25Å; E201-Y209 HydrophobicContact CG-CG 4.45Å; L202-Y209 HydrophobicContact CD2-CD1 3.72Å; L202-Y209 HydrophobicContact CD2-CE1 3.53Å; L202-Y209 HydrophobicContact CD2-CE2 4.47Å; L202-Y209 HydrophobicContact CD2-CG 4.26Å; Q207-Y209 PolarHBondContact O-N 3.02Å; Q207-Y209 VanDerWaalsContact O-N 3.15Å; Y209-L213 HydrophobicContact CD2-CB 4.23Å; Y209-L213 HydrophobicContact CD2-CD2 3.85Å; Y209-L213 HydrophobicContact CE2-CD2 3.62Å
210D98.8Very high98.6Very high5 Ų511 Ų113%0.0276%0.057CC..  trans-138.2-162.2-176.763.251.9000112.3A9 M153 Y182 S212 L213 H309 Q310A9-D210 VanDerWaalsContact CA-OD2 3.26Å; A9-D210 WeakPolarHBondContact CA-OD2 3.48Å; A9-D210 HydrophobicContact CB-CB 3.81Å; A9-D210 PolarHBondContact N-OD2 3.14Å; M153-D210 VanDerWaalsContact SD-CA 3.59Å; Y182-D210 HydrophobicContact CD2-CB 3.91Å; Y182-D210 HydrophobicContact CE2-CB 3.41Å; Y182-D210 VanDerWaalsContact CE2-CB 3.41Å; D210-S212 PolarHBondContact O-N 2.94Å; D210-S212 WeakPolarHBondContact OD1-CB 3.49Å; D210-S212 PolarHBondContact OD1-N 3.01Å; D210-S212 PolarHBondContact OD1-OG 3.19Å; D210-L213 WeakPolarHBondContact O-CB 3.37Å; D210-L213 PolarHBondContact O-N 3.4Å; D210-L213 VanDerWaalsContact O-N 3.08Å; D210-H309 IonicContact OD2-CD2 2.98Å; D210-Q310 PolarHBondContact OD2-NE2 2.89Å
211Y98.8Very high98.6Very high5 Ų511 Ų112%0.026%0.057CC..THydrogen-bonded Turntrans-50.4-27.9178.5-44.4-68000114.9A9 V11 Y12 H148 M153 Y182 L213 D214A9-Y211 HydrophobicContact CB-CD2 3.58Å; A9-Y211 HydrophobicContact CB-CE2 3.5Å; V11-Y211 VanDerWaalsContact O-CE2 3.26Å; V11-Y211 WeakPolarHBondContact O-CE2 3.15Å; Y12-Y211 PolarHBondContact O-OH 2.91Å; H148-Y211 HydrophobicContact CB-CD1 4.02Å; H148-Y211 HydrophobicContact CB-CG 4.16Å; H148-Y211 AromaticContact CD2-CD1 3.76Å; H148-Y211 PolarHBondContact CE1-O 2.54Å; H148-Y211 AromaticContact CG-CD1 3.93Å; H148-Y211 AromaticContact CG-CG 3.99Å; M153-Y211 HydrophobicContact CG-CD1 3.6Å; M153-Y211 HydrophobicContact CG-CE1 4.09Å; M153-Y211 HydrophobicContact CG-CG 4.38Å; Y182-Y211 VanDerWaalsContact CB-CE1 3.48Å; Y182-Y211 VanDerWaalsContact CB-CZ 3.5Å; Y182-Y211 WeakPolarHBondContact CB-OH 3.34Å; Y182-Y211 HydrophobicContact CD1-CE1 4.4Å; Y182-Y211 AromaticContact CD1-CE2 3.81Å; Y182-Y211 HydrophobicContact CD1-CE2 3.81Å; Y182-Y211 AromaticContact CD1-CZ 3.56Å; Y182-Y211 WeakPolarHBondContact CD1-OH 3.14Å; Y182-Y211 HydrophobicContact CE1-CE2 4.31Å; Y182-Y211 HydrophobicContact CG-CE1 4Å; Y182-Y211 HydrophobicContact CG-CE2 4.07Å; Y182-Y211 AromaticContact CG-CZ 3.61Å; Y211-L213 PolarHBondContact O-N 2.91Å; Y211-L213 VanDerWaalsContact O-N 3.12Å; Y211-D214 PolarHBondContact O-N 3.21Å
212S98.8Very high98.6Very high11 Ų1111 Ų118%0.0776%0.057CC..Hα-helixtrans-62.2-14.7177.857.30000114.2D210 D214 M215 W216 H309 R312D210-S212 PolarHBondContact O-N 2.94Å; D210-S212 WeakPolarHBondContact OD1-CB 3.49Å; D210-S212 PolarHBondContact OD1-N 3.01Å; D210-S212 PolarHBondContact OD1-OG 3.19Å; S212-D214 VanDerWaalsContact C-N 3.35Å; S212-M215 PolarHBondContact O-N 3.04Å; S212-W216 PolarHBondContact O-N 3.24Å; S212-H309 VanDerWaalsContact CB-O 3.25Å; S212-H309 WeakPolarHBondContact CB-O 3.4Å; S212-H309 WeakPolarHBondContact OG-CB 3.42Å; S212-H309 PolarHBondContact OG-O 2.96Å; S212-R312 PolarHBondContact O-NH1 2.97Å
213L98.9Very high98.6Very high1 Ų110.7 Ų10.71%0.0056%0.055CC..Hα-helixtrans-60-45.3168.3173.462.7000111.3R155 V192 E201 L202 Y209 D210 Y211 M215 W216 S217R155-L213 HydrophobicContact CB-CD2 4.2Å; R155-L213 HydrophobicContact CG-CD2 4.14Å; V192-L213 HydrophobicContact CG2-CD2 4.22Å; E201-L213 HydrophobicContact CG-CD1 4.48Å; E201-L213 WeakPolarHBondContact OE1-CA 3.41Å; L202-L213 HydrophobicContact CD1-CD1 3.64Å; L202-L213 HydrophobicContact CD1-CD2 4.03Å; L202-L213 HydrophobicContact CD1-CG 4.48Å; L202-L213 HydrophobicContact CD2-CD1 4.27Å; L202-L213 HydrophobicContact CD2-CD2 4.15Å; L202-L213 HydrophobicContact CG-CD1 3.79Å; L202-L213 HydrophobicContact CG-CD2 4.43Å; Y209-L213 HydrophobicContact CD2-CB 4.23Å; Y209-L213 HydrophobicContact CD2-CD2 3.85Å; Y209-L213 HydrophobicContact CE2-CD2 3.62Å; D210-L213 WeakPolarHBondContact O-CB 3.37Å; D210-L213 PolarHBondContact O-N 3.4Å; D210-L213 VanDerWaalsContact O-N 3.08Å; Y211-L213 PolarHBondContact O-N 2.91Å; Y211-L213 VanDerWaalsContact O-N 3.12Å; L213-M215 PolarHBondContact O-N 3.18Å; L213-W216 WeakPolarHBondContact O-CB 3.49Å; L213-W216 PolarHBondContact O-N 3.24Å; L213-S217 PolarHBondContact O-N 2.73Å; L213-S217 VanDerWaalsContact O-N 3.16Å; L213-S217 PolarHBondContact O-OG 3.11Å
214D98.9Very high98.6Very high0 Ų010.1 Ų10.10%05%0.053CC..Hα-helixtrans-65.6-31.4-179.4-66.4-34.3000111.1L144 H148 H154 R155 V157 Y211 S212 S217 L218L144-D214 HydrophobicContact CD1-CB 4.44Å; L144-D214 HydrophobicContact CD2-CB 4.09Å; H148-D214 IonicContact CD2-OD2 3Å; H148-D214 IonicContact CE1-OD2 3.68Å; H148-D214 IonicContact NE2-OD2 3.95Å; H148-D214 PolarHBondContact NE2-OD2 2.96Å; H154-D214 PolarHBondContact N-OD2 2.9Å; R155-D214 WeakPolarHBondContact CA-OD1 3.12Å; R155-D214 PolarHBondContact N-OD1 3.43Å; V157-D214 HydrophobicContact CG2-CB 3.98Å; Y211-D214 PolarHBondContact O-N 3.21Å; S212-D214 VanDerWaalsContact C-N 3.35Å; D214-S217 PolarHBondContact O-N 3.38Å; D214-L218 WeakPolarHBondContact O-CB 3.26Å; D214-L218 PolarHBondContact O-N 2.89Å
215M98.9Very high98.6Very high1 Ų110.1 Ų10.11%0.0055%0.052CC..Hα-helixtrans-70-34.7177.6-58.1-54.1-59.900112.3L141 L144 S212 L213 L218 G219 L304 L313 A315 A318L141-M215 HydrophobicContact CD2-CE 3.73Å; L141-M215 HydrophobicContact CD2-SD 4.48Å; L144-M215 HydrophobicContact CD1-SD 4.34Å; S212-M215 PolarHBondContact O-N 3.04Å; L213-M215 PolarHBondContact O-N 3.18Å; M215-L218 HydrophobicContact CE-CD2 3.89Å; M215-L218 HydrophobicContact SD-CD2 4.47Å; M215-G219 PolarHBondContact O-N 2.94Å; M215-L304 HydrophobicContact CB-CD2 4.36Å; M215-L304 HydrophobicContact CE-CD2 3.64Å; M215-L313 WeakPolarHBondContact CG-O 3.44Å; M215-A315 HydrophobicContact CE-CB 4.38Å; M215-A315 HydrophobicContact SD-CB 3.83Å; M215-A318 HydrophobicContact CE-CB 3.89Å
216W98.9Very high98.6Very high0 Ų05.5 Ų5.50%03%0.028CC..Hα-helixtrans-63.3-49169172.6-84.5000111.3K198 P200 S212 L213 L218 G219 C220 F233 I245 L249 L305K198-W216 PolarHBondContact O-NE1 3.32Å; P200-W216 HydrophobicContact CG-CD2 4.43Å; P200-W216 HydrophobicContact CG-CE3 4.09Å; P200-W216 HydrophobicContact CG-CH2 3.65Å; P200-W216 HydrophobicContact CG-CZ2 4.02Å; P200-W216 HydrophobicContact CG-CZ3 3.68Å; S212-W216 PolarHBondContact O-N 3.24Å; L213-W216 WeakPolarHBondContact O-CB 3.49Å; L213-W216 PolarHBondContact O-N 3.24Å; W216-L218 VanDerWaalsContact C-N 3.26Å; W216-L218 PolarHBondContact O-N 2.75Å; W216-G219 WeakPolarHBondContact O-CA 3.26Å; W216-G219 PolarHBondContact O-N 2.85Å; W216-C220 PolarHBondContact NE1-SG 3.15Å; W216-C220 VanDerWaalsContact NE1-SG 3.4Å; W216-C220 PolarHBondContact O-N 2.96Å; W216-F233 HydrophobicContact CH2-CE2 4.45Å; W216-F233 HydrophobicContact CZ2-CD2 4.43Å; W216-F233 HydrophobicContact CZ2-CE2 4.05Å; W216-I245 HydrophobicContact CH2-CD1 4.24Å; W216-I245 HydrophobicContact CH2-CG1 4.33Å; W216-I245 HydrophobicContact CH2-CG2 3.61Å; W216-I245 HydrophobicContact CZ2-CD1 3.57Å; W216-I245 HydrophobicContact CZ2-CG1 3.89Å; W216-I245 HydrophobicContact CZ2-CG2 4.04Å; W216-L249 HydrophobicContact CH2-CD1 3.7Å; W216-L249 HydrophobicContact CZ3-CD1 3.87Å; W216-L305 HydrophobicContact CD2-CD2 3.92Å; W216-L305 HydrophobicContact CE3-CD2 3.9Å; W216-L305 HydrophobicContact CH2-CD2 4.23Å; W216-L305 HydrophobicContact CZ2-CD2 4.25Å; W216-L305 HydrophobicContact CZ3-CB 4.36Å; W216-L305 HydrophobicContact CZ3-CD2 4.07Å
217S98.9Very high98.6Very high0 Ų05.6 Ų5.60%03%0.028CC..Hα-helixtrans-58.9-39.8178.9-60.20000111.9V157 F197 L213 D214 C220 M221V157-S217 WeakPolarHBondContact O-CB 3.44Å; F197-S217 PolarHBondContact O-OG 3.3Å; L213-S217 PolarHBondContact O-N 2.73Å; L213-S217 VanDerWaalsContact O-N 3.16Å; L213-S217 PolarHBondContact O-OG 3.11Å; D214-S217 PolarHBondContact O-N 3.38Å; S217-C220 WeakPolarHBondContact O-CB 3.49Å; S217-C220 PolarHBondContact O-N 2.96Å; S217-M221 PolarHBondContact O-N 3.35Å; S217-M221 VanDerWaalsContact O-N 3.11Å
218L98.9Very high98.6Very high0 Ų05.6 Ų5.60%03%0.025CC..Hα-helixtrans-61.1-44.7171.6-174.674.7000111.9M137 I140 L141 L144 D214 M215 W216 C220 M221 L222 L304M137-L218 HydrophobicContact CE-CD1 3.31Å; M137-L218 HydrophobicContact CE-CD2 4.15Å; M137-L218 HydrophobicContact CE-CG 3.44Å; M137-L218 VanDerWaalsContact CE-CG 3.44Å; M137-L218 HydrophobicContact SD-CD1 4.15Å; I140-L218 HydrophobicContact CB-CD1 4.08Å; I140-L218 HydrophobicContact CD1-CD1 4.38Å; I140-L218 HydrophobicContact CG2-CD1 3.53Å; L141-L218 HydrophobicContact CD2-CD2 3.34Å; L141-L218 HydrophobicContact CG-CD2 3.85Å; L144-L218 HydrophobicContact CD1-CB 4.38Å; L144-L218 HydrophobicContact CD1-CD1 4.28Å; L144-L218 HydrophobicContact CD1-CD2 4.28Å; D214-L218 WeakPolarHBondContact O-CB 3.26Å; D214-L218 PolarHBondContact O-N 2.89Å; M215-L218 HydrophobicContact CE-CD2 3.89Å; M215-L218 HydrophobicContact SD-CD2 4.47Å; W216-L218 VanDerWaalsContact C-N 3.26Å; W216-L218 PolarHBondContact O-N 2.75Å; L218-C220 VanDerWaalsContact C-N 3.32Å; L218-C220 PolarHBondContact O-N 2.79Å; L218-M221 WeakPolarHBondContact O-CB 3.5Å; L218-M221 PolarHBondContact O-N 3.33Å; L218-M221 VanDerWaalsContact O-N 3.14Å; L218-L222 PolarHBondContact O-N 2.88Å; L218-L304 HydrophobicContact CD2-CD1 4.47Å
219G98.9Very high98.5Very high0 Ų09.5 Ų9.50%04%0.042CC..Hα-helixtrans-59.4-40.517500000112.7M215 W216 M221 L222 A223 L301M215-G219 PolarHBondContact O-N 2.94Å; W216-G219 WeakPolarHBondContact O-CA 3.26Å; W216-G219 PolarHBondContact O-N 2.85Å; G219-M221 VanDerWaalsContact C-N 3.35Å; G219-M221 PolarHBondContact O-N 2.83Å; G219-L222 PolarHBondContact O-N 3.31Å; G219-A223 WeakPolarHBondContact O-CB 3.42Å; G219-A223 PolarHBondContact O-N 3.42Å; G219-L301 VanDerWaalsContact O-CD1 3.27Å; G219-L301 WeakPolarHBondContact O-CD1 3.48Å
220C98.8Very high98.4Very high2 Ų212.9 Ų12.91%0.0146%0.058CC..Hα-helixtrans-61.3-42.7173.3-73.90000111.8F197 W216 S217 L218 A223 S224F197-C220 HydrophobicContact CD1-CB 3.71Å; F197-C220 HydrophobicContact CE1-CB 4.12Å; W216-C220 PolarHBondContact NE1-SG 3.15Å; W216-C220 VanDerWaalsContact NE1-SG 3.4Å; W216-C220 PolarHBondContact O-N 2.96Å; S217-C220 WeakPolarHBondContact O-CB 3.49Å; S217-C220 PolarHBondContact O-N 2.96Å; L218-C220 VanDerWaalsContact C-N 3.32Å; L218-C220 PolarHBondContact O-N 2.79Å; C220-A223 PolarHBondContact O-N 3.24Å; C220-S224 PolarHBondContact O-N 2.86Å; C220-S224 PolarHBondContact O-OG 3.41Å
221M98.6Very high98.3Very high0 Ų013.3 Ų13.30%06%0.061CC..Hα-helixtrans-62.7-46175.7-70.8-178.156.700111.9Y125 I140 V157 K158 P159 V162 F197 S217 L218 G219 A223 S224 M225Y125-M221 WeakPolarHBondContact OH-CE 3.46Å; I140-M221 HydrophobicContact CD1-CE 3.98Å; V157-M221 HydrophobicContact CG1-SD 3.82Å; K158-M221 VanDerWaalsContact CA-SD 3.56Å; P159-M221 HydrophobicContact CB-CE 4.47Å; P159-M221 HydrophobicContact CG-CE 4.11Å; P159-M221 HydrophobicContact CG-CG 4.08Å; P159-M221 HydrophobicContact CG-SD 4.42Å; V162-M221 HydrophobicContact CB-CE 4.46Å; V162-M221 HydrophobicContact CG2-CE 3.95Å; F197-M221 HydrophobicContact CD1-CG 4.06Å; F197-M221 HydrophobicContact CE1-CG 3.64Å; S217-M221 PolarHBondContact O-N 3.35Å; S217-M221 VanDerWaalsContact O-N 3.11Å; L218-M221 WeakPolarHBondContact O-CB 3.5Å; L218-M221 PolarHBondContact O-N 3.33Å; L218-M221 VanDerWaalsContact O-N 3.14Å; G219-M221 VanDerWaalsContact C-N 3.35Å; G219-M221 PolarHBondContact O-N 2.83Å; M221-A223 PolarHBondContact O-N 3.04Å; M221-S224 WeakPolarHBondContact O-CB 3.35Å; M221-S224 PolarHBondContact O-N 3.04Å; M221-M225 HydrophobicContact CE-CE 4.13Å; M221-M225 WeakPolarHBondContact O-CG 3.5Å; M221-M225 PolarHBondContact O-N 2.92Å
222L98.8Very high98.3Very high0 Ų013.2 Ų13.20%06%0.06CC..Hα-helixtrans-58.1-50.4176.9179.765.1000111.2I133 M137 L218 G219 S224 M225 I226 F300 L301 L304 Y323I133-L222 HydrophobicContact CG2-CD1 4.12Å; M137-L222 HydrophobicContact CE-CB 3.75Å; M137-L222 HydrophobicContact CE-CD1 4.29Å; M137-L222 HydrophobicContact CE-CG 4.49Å; M137-L222 HydrophobicContact CG-CD1 4.15Å; M137-L222 HydrophobicContact SD-CB 4.49Å; L218-L222 PolarHBondContact O-N 2.88Å; G219-L222 PolarHBondContact O-N 3.31Å; L222-S224 VanDerWaalsContact C-N 3.28Å; L222-S224 PolarHBondContact O-N 3.25Å; L222-M225 PolarHBondContact O-N 3.41Å; L222-M225 VanDerWaalsContact O-N 3.13Å; L222-I226 HydrophobicContact CD1-CG2 3.75Å; L222-I226 HydrophobicContact CG-CD1 4.48Å; L222-I226 HydrophobicContact CG-CG2 4.34Å; L222-I226 WeakPolarHBondContact O-CG1 3.32Å; L222-I226 PolarHBondContact O-N 3.07Å; L222-F300 HydrophobicContact CD2-CD1 3.36Å; L222-F300 HydrophobicContact CD2-CE1 3.65Å; L222-F300 HydrophobicContact CD2-CG 4.33Å; L222-L301 HydrophobicContact CB-CD1 4.21Å; L222-L301 HydrophobicContact CD2-CB 4.07Å; L222-L301 HydrophobicContact CD2-CD1 3.94Å; L222-L301 HydrophobicContact CG-CD1 4.21Å; L222-L304 HydrophobicContact CD2-CD1 4.28Å; L222-Y323 HydrophobicContact CD1-CE1 4.19Å
223A98.7Very high98.3Very high0 Ų012.9 Ų12.90%06%0.058CC..Hα-helixtrans-56.6-44.3178.900000111.4G219 C220 M221 M225 F227 F232 L301 L305G219-A223 WeakPolarHBondContact O-CB 3.42Å; G219-A223 PolarHBondContact O-N 3.42Å; C220-A223 PolarHBondContact O-N 3.24Å; M221-A223 PolarHBondContact O-N 3.04Å; A223-M225 PolarHBondContact O-N 3.16Å; A223-F227 HydrophobicContact CB-CD2 4.22Å; A223-F227 HydrophobicContact CB-CE2 4.49Å; A223-F227 VanDerWaalsContact O-CB 3.29Å; A223-F227 WeakPolarHBondContact O-CB 3.4Å; A223-F227 VanDerWaalsContact O-CD2 3.28Å; A223-F227 WeakPolarHBondContact O-CD2 3.28Å; A223-F227 PolarHBondContact O-N 2.71Å; A223-F232 HydrophobicContact CB-CB 3.96Å; A223-F232 HydrophobicContact CB-CD1 3.82Å; A223-F232 HydrophobicContact CB-CD2 3.84Å; A223-F232 HydrophobicContact CB-CE1 4.27Å; A223-F232 HydrophobicContact CB-CE2 4.31Å; A223-F232 HydrophobicContact CB-CG 3.58Å; A223-F232 HydrophobicContact CB-CZ 4.5Å; A223-L301 HydrophobicContact CB-CD1 3.91Å; A223-L301 HydrophobicContact CB-CD2 3.97Å; A223-L305 HydrophobicContact CB-CD1 4.23Å
224S98Very high98.3Very high4 Ų418 Ų183%0.0288%0.081CC..Hα-helixtrans-61.3-42.2177.1-71.30000112.9C220 M221 L222 R228 K229 E230 F232C220-S224 PolarHBondContact O-N 2.86Å; C220-S224 PolarHBondContact O-OG 3.41Å; M221-S224 WeakPolarHBondContact O-CB 3.35Å; M221-S224 PolarHBondContact O-N 3.04Å; L222-S224 VanDerWaalsContact C-N 3.28Å; L222-S224 PolarHBondContact O-N 3.25Å; S224-R228 CarbonylContact O-C 3.58Å; S224-R228 VanDerWaalsContact O-CA 3.32Å; S224-R228 WeakPolarHBondContact O-CA 3.36Å; S224-R228 PolarHBondContact O-N 3.21Å; S224-R228 VanDerWaalsContact O-N 3.1Å; S224-K229 WeakPolarHBondContact CA-O 3.41Å; S224-K229 WeakPolarHBondContact CB-O 3.32Å; S224-K229 PolarHBondContact O-N 2.76Å; S224-K229 PolarHBondContact OG-O 3.07Å; S224-E230 WeakPolarHBondContact CB-OE2 3.5Å; S224-E230 PolarHBondContact OG-OE2 2.95Å; S224-F232 PolarHBondContact OG-N 3.2Å; S224-F232 VanDerWaalsContact OG-N 3.09Å
225M98.2Very high98.2Very high4 Ų418 Ų182%0.028%0.081CC..Hα-helixtrans-67.2-55.4179-68.8172-179.300111.4Y125 I133 M137 M221 L222 A223 F227 R228Y125-M225 HydrophobicContact CD1-CE 4.35Å; Y125-M225 HydrophobicContact CD2-CE 4.05Å; Y125-M225 HydrophobicContact CD2-CG 3.88Å; Y125-M225 HydrophobicContact CE1-CE 3.73Å; Y125-M225 HydrophobicContact CE2-CE 3.36Å; Y125-M225 HydrophobicContact CE2-CG 4.04Å; Y125-M225 HydrophobicContact CG-CG 4.38Å; Y125-M225 VanDerWaalsContact OH-CE 3.28Å; Y125-M225 WeakPolarHBondContact OH-CE 3.45Å; I133-M225 HydrophobicContact CD1-CB 4.05Å; I133-M225 HydrophobicContact CG1-CB 4.28Å; I133-M225 HydrophobicContact CG2-CB 4.21Å; I133-M225 HydrophobicContact CG2-SD 4Å; M137-M225 HydrophobicContact CG-SD 4.23Å; M137-M225 HydrophobicContact SD-CE 4.23Å; M137-M225 HydrophobicContact SD-SD 3.93Å; M221-M225 HydrophobicContact CE-CE 4.13Å; M221-M225 WeakPolarHBondContact O-CG 3.5Å; M221-M225 PolarHBondContact O-N 2.92Å; L222-M225 PolarHBondContact O-N 3.41Å; L222-M225 VanDerWaalsContact O-N 3.13Å; A223-M225 PolarHBondContact O-N 3.16Å; M225-F227 PolarHBondContact O-N 3.44Å; M225-R228 PolarHBondContact O-N 3.41Å
226I98.4Very high98.2Very high0 Ų023.8 Ų23.80%011%0.108CC..Hα-helixtrans-71.8-30.7-172.671.6178.2000112.5I133 L222 N289 V293 A297 L301I133-I226 HydrophobicContact CD1-CG2 4.49Å; I133-I226 HydrophobicContact CG2-CG2 4.19Å; L222-I226 HydrophobicContact CD1-CG2 3.75Å; L222-I226 HydrophobicContact CG-CD1 4.48Å; L222-I226 HydrophobicContact CG-CG2 4.34Å; L222-I226 WeakPolarHBondContact O-CG1 3.32Å; L222-I226 PolarHBondContact O-N 3.07Å; I226-N289 WeakPolarHBondContact O-CB 3.27Å; I226-V293 HydrophobicContact CB-CG2 4.33Å; I226-A297 HydrophobicContact CD1-CB 4.38Å; I226-L301 HydrophobicContact CD1-CD2 4.09Å
227F98.2Very high98.1Very high3 Ų326.6 Ų26.61%0.01312%0.123CC..THydrogen-bonded Turntrans-94.20.9177.1-60.1-53.3000113.8A223 M225 K229 F232 W281 F284 V285 N289 V293 L298 L301A223-F227 HydrophobicContact CB-CD2 4.22Å; A223-F227 HydrophobicContact CB-CE2 4.49Å; A223-F227 VanDerWaalsContact O-CB 3.29Å; A223-F227 WeakPolarHBondContact O-CB 3.4Å; A223-F227 VanDerWaalsContact O-CD2 3.28Å; A223-F227 WeakPolarHBondContact O-CD2 3.28Å; A223-F227 PolarHBondContact O-N 2.71Å; M225-F227 PolarHBondContact O-N 3.44Å; F227-K229 PolarHBondContact O-N 3.06Å; F227-F232 HydrophobicContact CB-CD2 4.5Å; F227-F232 HydrophobicContact CB-CE2 4.32Å; F227-F232 AromaticContact CD2-CD2 3.97Å; F227-F232 HydrophobicContact CD2-CD2 3.97Å; F227-F232 AromaticContact CD2-CE2 3.4Å; F227-F232 HydrophobicContact CD2-CE2 3.4Å; F227-F232 HydrophobicContact CD2-CZ 4.08Å; F227-F232 HydrophobicContact CE2-CE2 4.05Å; F227-F232 HydrophobicContact CE2-CZ 4.28Å; F227-F232 HydrophobicContact CG-CE2 4.18Å; F227-W281 HydrophobicContact CE2-CE3 4.04Å; F227-W281 HydrophobicContact CZ-CB 4.25Å; F227-W281 HydrophobicContact CZ-CE3 4.36Å; F227-F284 HydrophobicContact CB-CB 4.37Å; F227-F284 HydrophobicContact CD1-CB 3.54Å; F227-F284 HydrophobicContact CD2-CB 4.04Å; F227-F284 HydrophobicContact CE1-CB 3.71Å; F227-F284 HydrophobicContact CE2-CB 4.16Å; F227-F284 HydrophobicContact CE2-CD2 4.47Å; F227-F284 HydrophobicContact CG-CB 3.73Å; F227-F284 HydrophobicContact CZ-CB 4.01Å; F227-V285 HydrophobicContact CE1-CG2 4.15Å; F227-N289 WeakPolarHBondContact CA-ND2 3.47Å; F227-N289 PolarHBondContact O-ND2 3.37Å; F227-N289 VanDerWaalsContact O-ND2 3.08Å; F227-V293 HydrophobicContact CD1-CG2 4.16Å; F227-V293 HydrophobicContact CE1-CG2 4.07Å; F227-L298 HydrophobicContact CE1-CD2 4.08Å; F227-L298 HydrophobicContact CZ-CD2 3.76Å; F227-L301 HydrophobicContact CD2-CD2 4.48Å; F227-L301 HydrophobicContact CE2-CD2 3.52Å; F227-L301 HydrophobicContact CZ-CD2 4.1Å
228R96.9Very high98.1Very high67 Ų6729.9 Ų29.925%0.25314%0.141SC..THydrogen-bonded Turntrans50.439.6-175.2-65.2-174171.4-119.7-0.4113.4Q126 S224 M225 E288 N289 H291 L292Q126-R228 PolarHBondContact O-NH1 2.93Å; Q126-R228 PolarHBondContact O-NH2 3.31Å; S224-R228 CarbonylContact O-C 3.58Å; S224-R228 VanDerWaalsContact O-CA 3.32Å; S224-R228 WeakPolarHBondContact O-CA 3.36Å; S224-R228 PolarHBondContact O-N 3.21Å; S224-R228 VanDerWaalsContact O-N 3.1Å; M225-R228 PolarHBondContact O-N 3.41Å; R228-E288 WeakPolarHBondContact CD-O 3.47Å; R228-E288 PolarHBondContact NE-O 3.21Å; R228-N289 HydrophobicContact CB-CB 4.45Å; R228-N289 HydrophobicContact CG-CB 4.16Å; R228-H291 PolarHBondContact NH2-NE2 3.28Å; R228-L292 HydrophobicContact CG-CD1 4.06Å
229K96.9Very high98Very high96 Ų9632.9 Ų32.942%0.41715%0.153SC..  trans-129.795.4-177.7-175.6-169.5174.6-1570110.6S224 F227 P231 F232S224-K229 WeakPolarHBondContact CA-O 3.41Å; S224-K229 WeakPolarHBondContact CB-O 3.32Å; S224-K229 PolarHBondContact O-N 2.76Å; S224-K229 PolarHBondContact OG-O 3.07Å; F227-K229 PolarHBondContact O-N 3.06Å; K229-P231 CarbonylContact O-C 3.53Å; K229-F232 HydrophobicContact CB-CD2 4.42Å; K229-F232 HydrophobicContact CD-CD2 4.1Å; K229-F232 HydrophobicContact CD-CE2 4.44Å; K229-F232 WeakPolarHBondContact CE-O 3.32Å; K229-F232 PolarHBondContact NZ-O 2.74Å; K229-F232 VanDerWaalsContact O-CA 3.23Å; K229-F232 WeakPolarHBondContact O-CA 3.39Å; K229-F232 PolarHBondContact O-N 3.34Å
230E95.7Very high98Very high71 Ų7133.6 Ų33.633%0.33216%0.156SC..SBendtrans-114.4122.1-176176.861.1-169.400111.8F121 S224F121-E230 HydrophobicContact CE2-CG 4.07Å; S224-E230 WeakPolarHBondContact CB-OE2 3.5Å; S224-E230 PolarHBondContact OG-OE2 2.95Å
231P97.6Very high98Very high14 Ų1433.5 Ų33.59%0.09116%0.155CC..SBendcis-72.6149.4-10.432.1-36.6000112.5Y196 K229 H234Y196-P231 HydrophobicContact CD1-CB 4.25Å; Y196-P231 HydrophobicContact CD1-CG 3.99Å; Y196-P231 HydrophobicContact CD2-CB 3.66Å; Y196-P231 HydrophobicContact CD2-CG 3.57Å; Y196-P231 HydrophobicContact CE1-CG 4.21Å; Y196-P231 HydrophobicContact CE2-CB 4.38Å; Y196-P231 HydrophobicContact CE2-CG 3.78Å; Y196-P231 HydrophobicContact CG-CB 3.59Å; Y196-P231 HydrophobicContact CG-CG 3.68Å; K229-P231 CarbonylContact O-C 3.53Å; P231-H234 HydrophobicContact CG-CB 3.89Å
232F98.5Very high98Very high3 Ų333.5 Ų33.51%0.01316%0.155CC..SBendtrans-64.3-47.8-179.8-174.5-103.2000112.8A223 S224 F227 K229 W281 F284A223-F232 HydrophobicContact CB-CB 3.96Å; A223-F232 HydrophobicContact CB-CD1 3.82Å; A223-F232 HydrophobicContact CB-CD2 3.84Å; A223-F232 HydrophobicContact CB-CE1 4.27Å; A223-F232 HydrophobicContact CB-CE2 4.31Å; A223-F232 HydrophobicContact CB-CG 3.58Å; A223-F232 HydrophobicContact CB-CZ 4.5Å; S224-F232 PolarHBondContact OG-N 3.2Å; S224-F232 VanDerWaalsContact OG-N 3.09Å; F227-F232 HydrophobicContact CB-CD2 4.5Å; F227-F232 HydrophobicContact CB-CE2 4.32Å; F227-F232 AromaticContact CD2-CD2 3.97Å; F227-F232 HydrophobicContact CD2-CD2 3.97Å; F227-F232 AromaticContact CD2-CE2 3.4Å; F227-F232 HydrophobicContact CD2-CE2 3.4Å; F227-F232 HydrophobicContact CD2-CZ 4.08Å; F227-F232 HydrophobicContact CE2-CE2 4.05Å; F227-F232 HydrophobicContact CE2-CZ 4.28Å; F227-F232 HydrophobicContact CG-CE2 4.18Å; K229-F232 HydrophobicContact CB-CD2 4.42Å; K229-F232 HydrophobicContact CD-CD2 4.1Å; K229-F232 HydrophobicContact CD-CE2 4.44Å; K229-F232 WeakPolarHBondContact CE-O 3.32Å; K229-F232 PolarHBondContact NZ-O 2.74Å; K229-F232 VanDerWaalsContact O-CA 3.23Å; K229-F232 WeakPolarHBondContact O-CA 3.39Å; K229-F232 PolarHBondContact O-N 3.34Å; F232-W281 AromaticContact CE1-CZ3 3.87Å; F232-W281 HydrophobicContact CE1-CZ3 3.87Å; F232-W281 HydrophobicContact CZ-CE3 4.48Å; F232-W281 AromaticContact CZ-CZ3 3.89Å; F232-W281 HydrophobicContact CZ-CZ3 3.89Å; F232-F284 AromaticContact CE2-CD1 3.99Å; F232-F284 HydrophobicContact CE2-CD1 3.99Å; F232-F284 HydrophobicContact CE2-CD2 4.48Å; F232-F284 HydrophobicContact CE2-CE1 4.28Å; F232-F284 HydrophobicContact CE2-CG 4.1Å; F232-F284 HydrophobicContact CZ-CD1 4.05Å; F232-F284 HydrophobicContact CZ-CD2 4.05Å; F232-F284 AromaticContact CZ-CE1 3.97Å; F232-F284 HydrophobicContact CZ-CE1 3.97Å; F232-F284 AromaticContact CZ-CE2 3.98Å; F232-F284 HydrophobicContact CZ-CE2 3.98Å; F232-F284 HydrophobicContact CZ-CG 4.1Å; F232-F284 AromaticContact CZ-CZ 3.94Å; F232-F284 HydrophobicContact CZ-CZ 3.94Å
233F98.7Very high98Very high4 Ų433.7 Ų33.72%0.01816%0.157CC..SBendtrans-102.8100.4172.1-61-66.2000110.4Y196 W216 Q241 R244 I245 V248 L305Y196-F233 WeakPolarHBondContact CD1-O 3.28Å; W216-F233 HydrophobicContact CH2-CE2 4.45Å; W216-F233 HydrophobicContact CZ2-CD2 4.43Å; W216-F233 HydrophobicContact CZ2-CE2 4.05Å; F233-Q241 PolarHBondContact O-NE2 3.08Å; F233-Q241 PolarHBondContact O-OE1 3.4Å; F233-R244 HydrophobicContact CB-CB 4.47Å; F233-R244 HydrophobicContact CD1-CB 4.48Å; F233-I245 HydrophobicContact CB-CG1 4.35Å; F233-I245 HydrophobicContact CD1-CG1 3.93Å; F233-I245 HydrophobicContact CD2-CG1 4.09Å; F233-I245 HydrophobicContact CE1-CB 4.44Å; F233-I245 HydrophobicContact CE1-CG1 4.18Å; F233-I245 HydrophobicContact CE2-CG1 4.32Å; F233-I245 HydrophobicContact CG-CG1 3.88Å; F233-I245 HydrophobicContact CZ-CG1 4.37Å; F233-V248 HydrophobicContact CD1-CG2 4.41Å; F233-V248 HydrophobicContact CE1-CB 3.85Å; F233-V248 HydrophobicContact CE1-CG1 4.37Å; F233-V248 HydrophobicContact CE1-CG2 3.72Å; F233-V248 HydrophobicContact CZ-CB 4.48Å; F233-L305 HydrophobicContact CE2-CD1 3.97Å; F233-L305 HydrophobicContact CE2-CD2 4.41Å; F233-L305 HydrophobicContact CZ-CD1 4.27Å
234H98.4Very high98Very high109 Ų10938.1 Ų38.151%0.50517%0.174SC..  trans-103.980.4-172.7-159.3157.1000111.6Y196 P231Y196-H234 AromaticContact CE1-CD2 3.57Å; Y196-H234 AromaticContact CZ-CD2 3.68Å; Y196-H234 AromaticContact CZ-NE2 3.8Å; Y196-H234 PolarHBondContact OH-CD2 3.44Å; Y196-H234 PolarHBondContact OH-NE2 3.24Å; P231-H234 HydrophobicContact CG-CB 3.89Å
235G98.2Very high98Very high0 Ų038 Ų380%017%0.172CC..  trans-87.3142175.900000113.8R195 Y196 D240R195-G235 WeakPolarHBondContact CD-O 3.41Å; R195-G235 PolarHBondContact NH1-O 3.27Å; Y196-G235 WeakPolarHBondContact CE1-O 3.41Å; G235-D240 VanDerWaalsContact CA-OD2 3.28Å; G235-D240 WeakPolarHBondContact CA-OD2 3.24Å
236H97.2Very high98Very high123 Ų12337.8 Ų37.857%0.56917%0.171SC*.SBendtrans-74-30.1177.859.275.5000113.6R195 D240R195-H236 PolarHBondContact NH1-O 3.15Å; R195-H236 PolarHBondContact NH2-O 3.37Å; H236-D240 VanDerWaalsContact CD2-CB 3.45Å; H236-D240 WeakPolarHBondContact CD2-CB 3.22Å; H236-D240 IonicContact CD2-OD1 3.7Å; H236-D240 IonicContact CD2-OD2 3.83Å; H236-D240 PolarHBondContact CD2-OD2 2.99Å; H236-D240 VanDerWaalsContact CE1-CB 3.5Å; H236-D240 WeakPolarHBondContact CE1-CB 2.99Å; H236-D240 IonicContact CG-OD2 3.76Å; H236-D240 PolarHBondContact N-OD2 3.46Å; H236-D240 VanDerWaalsContact NE2-CB 3.27Å; H236-D240 WeakPolarHBondContact NE2-CB 3.18Å; H236-D240 IonicContact NE2-OD1 3.19Å; H236-D240 IonicContact NE2-OD2 3.44Å
237D97.9Very high98Very high59 Ų5941 Ų4132%0.31619%0.186SC..SBendtrans-142.7-174.5171.359.643.6000110.3R195 Y239 D240 Q241R195-D237 WeakPolarHBondContact CD-O 3.46Å; D237-Y239 VanDerWaalsContact C-N 3.3Å; D237-Y239 PolarHBondContact O-N 2.94Å; D237-Y239 WeakPolarHBondContact OD1-CA 3.26Å; D237-Y239 WeakPolarHBondContact OD1-CB 3.38Å; D237-Y239 PolarHBondContact OD1-N 3.31Å; D237-D240 PolarHBondContact OD1-N 3.02Å; D237-Q241 WeakPolarHBondContact O-CB 3.4Å; D237-Q241 PolarHBondContact O-N 3.24Å
238N98Very high98Very high69 Ų6941.4 Ų41.437%0.36919%0.188SC..Hα-helixtrans-68-29.2-178.8-70.2-6.4000112.9L203 L242L203-N238 HydrophobicContact CD2-CB 4.1Å; N238-L242 PolarHBondContact O-N 3.19Å
239Y98Very high98.1Very high63 Ų6338.2 Ų38.225%0.24718%0.176CC..Hα-helixtrans-71.4-50.3178.3-69.4-82.5000110D237 Q241 L242 V243 D266 R268 F269 I272D237-Y239 VanDerWaalsContact C-N 3.3Å; D237-Y239 PolarHBondContact O-N 2.94Å; D237-Y239 WeakPolarHBondContact OD1-CA 3.26Å; D237-Y239 WeakPolarHBondContact OD1-CB 3.38Å; D237-Y239 PolarHBondContact OD1-N 3.31Å; Y239-Q241 PolarHBondContact O-N 3.17Å; Y239-L242 PolarHBondContact O-N 3.27Å; Y239-V243 WeakPolarHBondContact O-CG2 3.34Å; Y239-V243 PolarHBondContact O-N 2.85Å; Y239-D266 HydrophobicContact CE1-CB 4.22Å; Y239-D266 PolarHBondContact OH-OD2 3.34Å; Y239-D266 VanDerWaalsContact OH-OD2 3.05Å; Y239-R268 HydrophobicContact CD1-CB 4.24Å; Y239-R268 HydrophobicContact CE1-CB 3.93Å; Y239-R268 HydrophobicContact CE1-CG 4.49Å; Y239-R268 PolarHBondContact OH-NE 3.12Å; Y239-F269 HydrophobicContact CD1-CD1 4.14Å; Y239-F269 HydrophobicContact CD1-CD2 4.24Å; Y239-F269 AromaticContact CD1-CE1 3.65Å; Y239-F269 HydrophobicContact CD1-CE1 3.65Å; Y239-F269 AromaticContact CD1-CE2 3.79Å; Y239-F269 HydrophobicContact CD1-CE2 3.79Å; Y239-F269 HydrophobicContact CD1-CG 4.42Å; Y239-F269 AromaticContact CD1-CZ 3.48Å; Y239-F269 HydrophobicContact CD1-CZ 3.48Å; Y239-F269 VanDerWaalsContact CD1-CZ 3.48Å; Y239-F269 HydrophobicContact CE1-CD2 4.36Å; Y239-F269 AromaticContact CE1-CE2 3.92Å; Y239-F269 HydrophobicContact CE1-CE2 3.92Å; Y239-F269 HydrophobicContact CE1-CZ 4.04Å; Y239-F269 HydrophobicContact CG-CE1 4.35Å; Y239-F269 HydrophobicContact CG-CZ 4.34Å; Y239-I272 HydrophobicContact CD1-CD1 4.38Å; Y239-I272 HydrophobicContact CG-CD1 4.4Å
240D98.2Very high98.2Very high14 Ų1433.7 Ų33.78%0.07516%0.157CC..Hα-helixtrans-63.3-31.7175.5-17551.4000112G235 H236 D237 L242 V243 R244G235-D240 VanDerWaalsContact CA-OD2 3.28Å; G235-D240 WeakPolarHBondContact CA-OD2 3.24Å; H236-D240 VanDerWaalsContact CD2-CB 3.45Å; H236-D240 WeakPolarHBondContact CD2-CB 3.22Å; H236-D240 IonicContact CD2-OD1 3.7Å; H236-D240 IonicContact CD2-OD2 3.83Å; H236-D240 PolarHBondContact CD2-OD2 2.99Å; H236-D240 VanDerWaalsContact CE1-CB 3.5Å; H236-D240 WeakPolarHBondContact CE1-CB 2.99Å; H236-D240 IonicContact CG-OD2 3.76Å; H236-D240 PolarHBondContact N-OD2 3.46Å; H236-D240 VanDerWaalsContact NE2-CB 3.27Å; H236-D240 WeakPolarHBondContact NE2-CB 3.18Å; H236-D240 IonicContact NE2-OD1 3.19Å; H236-D240 IonicContact NE2-OD2 3.44Å; D237-D240 PolarHBondContact OD1-N 3.02Å; D240-L242 VanDerWaalsContact C-N 3.32Å; D240-L242 PolarHBondContact O-N 3.35Å; D240-V243 CarbonylContact O-C 3.32Å; D240-V243 WeakPolarHBondContact O-CA 3.16Å; D240-V243 WeakPolarHBondContact O-CB 3.2Å; D240-V243 PolarHBondContact O-N 2.9Å; D240-V243 VanDerWaalsContact O-N 3.1Å; D240-R244 VanDerWaalsContact CG-NE 3.35Å; D240-R244 WeakPolarHBondContact O-CG 3.19Å; D240-R244 PolarHBondContact O-N 3.08Å; D240-R244 IonicContact OD1-CZ 3.56Å; D240-R244 IonicContact OD1-NE 3.87Å; D240-R244 PolarHBondContact OD1-NE 2.87Å; D240-R244 IonicContact OD1-NH2 2.68Å; D240-R244 PolarHBondContact OD1-NH2 3.37Å; D240-R244 VanDerWaalsContact OD1-NH2 3.12Å; D240-R244 IonicContact OD2-CZ 3.93Å; D240-R244 IonicContact OD2-NE 3.67Å; D240-R244 PolarHBondContact OD2-NE 2.97Å; D240-R244 IonicContact OD2-NH2 3.48Å; D240-R244 PolarHBondContact OD2-NH2 2.93Å
241Q98.7Very high98.3Very high0 Ų030.8 Ų30.80%014%0.143CC..Hα-helixtrans-55.7-45.8174.5-172.866.231.900111.9R195 L203 F233 D237 Y239 V243 R244 I245R195-Q241 HydrophobicContact CG-CB 4.08Å; R195-Q241 HydrophobicContact CG-CG 4.14Å; R195-Q241 WeakPolarHBondContact O-CG 3.28Å; L203-Q241 HydrophobicContact CD1-CB 4.18Å; L203-Q241 HydrophobicContact CD1-CG 3.79Å; L203-Q241 HydrophobicContact CD2-CB 4.21Å; L203-Q241 HydrophobicContact CD2-CG 4.21Å; F233-Q241 PolarHBondContact O-NE2 3.08Å; F233-Q241 PolarHBondContact O-OE1 3.4Å; D237-Q241 WeakPolarHBondContact O-CB 3.4Å; D237-Q241 PolarHBondContact O-N 3.24Å; Y239-Q241 PolarHBondContact O-N 3.17Å; Q241-V243 VanDerWaalsContact C-N 3.34Å; Q241-R244 PolarHBondContact O-N 3.27Å; Q241-I245 HydrophobicContact CG-CD1 4.42Å; Q241-I245 WeakPolarHBondContact O-CG1 3.38Å; Q241-I245 PolarHBondContact O-N 3.03Å
242L98.6Very high98.3Very high0 Ų037 Ų370%017%0.171CC..Hα-helixtrans-65.9-39.2176.5-173.262.3000111.2P200 L203 V204 N238 Y239 D240 R244 I245 A246 L254 L265 F269 L273P200-L242 HydrophobicContact CB-CD1 4.48Å; L203-L242 HydrophobicContact CB-CB 4.16Å; L203-L242 HydrophobicContact CB-CD1 4.25Å; L203-L242 HydrophobicContact CD1-CB 4.05Å; L203-L242 HydrophobicContact CD1-CD1 4.2Å; V204-L242 HydrophobicContact CG1-CD1 4.42Å; V204-L242 HydrophobicContact CG1-CD2 3.66Å; N238-L242 PolarHBondContact O-N 3.19Å; Y239-L242 PolarHBondContact O-N 3.27Å; D240-L242 VanDerWaalsContact C-N 3.32Å; D240-L242 PolarHBondContact O-N 3.35Å; L242-R244 VanDerWaalsContact C-N 3.33Å; L242-R244 PolarHBondContact O-N 3.02Å; L242-I245 WeakPolarHBondContact O-CB 3.45Å; L242-I245 PolarHBondContact O-N 2.99Å; L242-I245 VanDerWaalsContact O-N 3.16Å; L242-A246 WeakPolarHBondContact O-CB 3.34Å; L242-A246 PolarHBondContact O-N 2.81Å; L242-L254 HydrophobicContact CD1-CD1 4.27Å; L242-L254 HydrophobicContact CD1-CD2 4.46Å; L242-L254 HydrophobicContact CD2-CD2 4.44Å; L242-L254 HydrophobicContact CG-CD2 4.4Å; L242-L265 HydrophobicContact CD2-CD1 4.47Å; L242-F269 HydrophobicContact CB-CE1 3.84Å; L242-F269 HydrophobicContact CB-CZ 4.26Å; L242-F269 HydrophobicContact CD2-CD1 4.04Å; L242-F269 HydrophobicContact CD2-CE1 3.53Å; L242-F269 HydrophobicContact CD2-CE2 4.23Å; L242-F269 HydrophobicContact CD2-CZ 3.62Å; L242-F269 HydrophobicContact CG-CE1 4.24Å; L242-L273 HydrophobicContact CD2-CD2 4.24Å; L242-L273 HydrophobicContact CG-CD2 4.12Å
243V98.4Very high98.3Very high4 Ų439.6 Ų39.62%0.02419%0.185CC..Hα-helixtrans-59.7-41.7174.6-177.30000111.4Y239 D240 Q241 I245 A246 K247 I272 L273Y239-V243 WeakPolarHBondContact O-CG2 3.34Å; Y239-V243 PolarHBondContact O-N 2.85Å; D240-V243 CarbonylContact O-C 3.32Å; D240-V243 WeakPolarHBondContact O-CA 3.16Å; D240-V243 WeakPolarHBondContact O-CB 3.2Å; D240-V243 PolarHBondContact O-N 2.9Å; D240-V243 VanDerWaalsContact O-N 3.1Å; Q241-V243 VanDerWaalsContact C-N 3.34Å; V243-I245 VanDerWaalsContact C-N 3.3Å; V243-I245 PolarHBondContact O-N 2.89Å; V243-A246 PolarHBondContact O-N 2.91Å; V243-K247 HydrophobicContact CG1-CD 4.16Å; V243-K247 WeakPolarHBondContact O-CB 3.11Å; V243-K247 WeakPolarHBondContact O-CG 3.2Å; V243-K247 PolarHBondContact O-N 2.85Å; V243-I272 WeakPolarHBondContact CG1-O 3.31Å; V243-I272 HydrophobicContact CG2-CB 4.17Å; V243-I272 HydrophobicContact CG2-CD1 3.95Å; V243-I272 HydrophobicContact CG2-CG1 3.87Å; V243-L273 HydrophobicContact CG2-CD2 4.12Å
244R98.5Very high98.3Very high94 Ų9439.4 Ų39.436%0.35518%0.184SC..Hα-helixtrans-62.9-37.5176.2-61.1-46.5168.7163.8-7.5112.2F233 D240 Q241 L242F233-R244 HydrophobicContact CB-CB 4.47Å; F233-R244 HydrophobicContact CD1-CB 4.48Å; D240-R244 VanDerWaalsContact CG-NE 3.35Å; D240-R244 WeakPolarHBondContact O-CG 3.19Å; D240-R244 PolarHBondContact O-N 3.08Å; D240-R244 IonicContact OD1-CZ 3.56Å; D240-R244 IonicContact OD1-NE 3.87Å; D240-R244 PolarHBondContact OD1-NE 2.87Å; D240-R244 IonicContact OD1-NH2 2.68Å; D240-R244 PolarHBondContact OD1-NH2 3.37Å; D240-R244 VanDerWaalsContact OD1-NH2 3.12Å; D240-R244 IonicContact OD2-CZ 3.93Å; D240-R244 IonicContact OD2-NE 3.67Å; D240-R244 PolarHBondContact OD2-NE 2.97Å; D240-R244 IonicContact OD2-NH2 3.48Å; D240-R244 PolarHBondContact OD2-NH2 2.93Å; Q241-R244 PolarHBondContact O-N 3.27Å; L242-R244 VanDerWaalsContact C-N 3.33Å; L242-R244 PolarHBondContact O-N 3.02Å
245I98.8Very high98.2Very high0 Ų038.5 Ų38.50%018%0.177CC..Hα-helixtrans-67.3-49.5175.6-65.8163.1000110.1L203 W216 F233 Q241 L242 V243 K247 V248 L249 Y307L203-I245 HydrophobicContact CD1-CD1 3.59Å; W216-I245 HydrophobicContact CH2-CD1 4.24Å; W216-I245 HydrophobicContact CH2-CG1 4.33Å; W216-I245 HydrophobicContact CH2-CG2 3.61Å; W216-I245 HydrophobicContact CZ2-CD1 3.57Å; W216-I245 HydrophobicContact CZ2-CG1 3.89Å; W216-I245 HydrophobicContact CZ2-CG2 4.04Å; F233-I245 HydrophobicContact CB-CG1 4.35Å; F233-I245 HydrophobicContact CD1-CG1 3.93Å; F233-I245 HydrophobicContact CD2-CG1 4.09Å; F233-I245 HydrophobicContact CE1-CB 4.44Å; F233-I245 HydrophobicContact CE1-CG1 4.18Å; F233-I245 HydrophobicContact CE2-CG1 4.32Å; F233-I245 HydrophobicContact CG-CG1 3.88Å; F233-I245 HydrophobicContact CZ-CG1 4.37Å; Q241-I245 HydrophobicContact CG-CD1 4.42Å; Q241-I245 WeakPolarHBondContact O-CG1 3.38Å; Q241-I245 PolarHBondContact O-N 3.03Å; L242-I245 WeakPolarHBondContact O-CB 3.45Å; L242-I245 PolarHBondContact O-N 2.99Å; L242-I245 VanDerWaalsContact O-N 3.16Å; V243-I245 VanDerWaalsContact C-N 3.3Å; V243-I245 PolarHBondContact O-N 2.89Å; I245-K247 VanDerWaalsContact C-N 3.27Å; I245-K247 PolarHBondContact O-N 3.17Å; I245-V248 PolarHBondContact O-N 3.41Å; I245-L249 HydrophobicContact CG2-CD1 3.79Å; I245-L249 HydrophobicContact CG2-CG 4.2Å; I245-L249 PolarHBondContact O-N 2.92Å; I245-Y307 HydrophobicContact CG2-CE1 3.7Å
246A98.6Very high98.2Very high0 Ų043.1 Ų43.10%020%0.202CC..Hα-helixtrans-58.2-35.2177.100000113.7L242 V243 V248 G250 T251 L254 L273 H276 Y307L242-A246 WeakPolarHBondContact O-CB 3.34Å; L242-A246 PolarHBondContact O-N 2.81Å; V243-A246 PolarHBondContact O-N 2.91Å; A246-V248 PolarHBondContact O-N 3.15Å; A246-V248 VanDerWaalsContact O-N 3.11Å; A246-G250 CarbonylContact O-C 3.58Å; A246-G250 VanDerWaalsContact O-CA 3.28Å; A246-G250 WeakPolarHBondContact O-CA 3.42Å; A246-G250 PolarHBondContact O-N 3.49Å; A246-T251 HydrophobicContact CB-CG2 3.99Å; A246-L254 HydrophobicContact CB-CD2 4.31Å; A246-L273 HydrophobicContact CB-CD2 4.24Å; A246-H276 WeakPolarHBondContact O-CB 3.35Å; A246-Y307 WeakPolarHBondContact CA-OH 3.28Å; A246-Y307 PolarHBondContact N-OH 3.21Å
247K98.3Very high98.3Very high69 Ų6937.4 Ų37.430%0.318%0.176SC..Hα-helixtrans-64.6-10.3173.3-79.4173.8178.8169.60114.5V243 I245 H276 K279V243-K247 HydrophobicContact CG1-CD 4.16Å; V243-K247 WeakPolarHBondContact O-CB 3.11Å; V243-K247 WeakPolarHBondContact O-CG 3.2Å; V243-K247 PolarHBondContact O-N 2.85Å; I245-K247 VanDerWaalsContact C-N 3.27Å; I245-K247 PolarHBondContact O-N 3.17Å; K247-H276 WeakPolarHBondContact CE-NE2 3.3Å; K247-H276 VanDerWaalsContact CG-NE2 3.3Å; K247-H276 WeakPolarHBondContact CG-NE2 3.01Å; K247-K279 VanDerWaalsContact O-CD 3.28Å; K247-K279 WeakPolarHBondContact O-CD 3.23Å; K247-K279 WeakPolarHBondContact O-CE 3.23Å; K247-K279 PolarHBondContact O-NZ 2.92Å
248V98.6Very high98.3Very high10 Ų1035.2 Ų35.26%0.06116%0.163CC..Hα-helixtrans-115.1-53.5177.8-178.90000111F233 I245 A246 G250 K279 W281 F284F233-V248 HydrophobicContact CD1-CG2 4.41Å; F233-V248 HydrophobicContact CE1-CB 3.85Å; F233-V248 HydrophobicContact CE1-CG1 4.37Å; F233-V248 HydrophobicContact CE1-CG2 3.72Å; F233-V248 HydrophobicContact CZ-CB 4.48Å; I245-V248 PolarHBondContact O-N 3.41Å; A246-V248 PolarHBondContact O-N 3.15Å; A246-V248 VanDerWaalsContact O-N 3.11Å; V248-G250 VanDerWaalsContact C-N 3.31Å; V248-G250 PolarHBondContact O-N 3.13Å; V248-K279 PolarHBondContact O-N 3.22Å; V248-W281 HydrophobicContact CG1-CH2 4.05Å; V248-W281 HydrophobicContact CG1-CZ3 3.8Å; V248-F284 HydrophobicContact CB-CZ 4.42Å; V248-F284 HydrophobicContact CG1-CE2 3.8Å; V248-F284 HydrophobicContact CG1-CZ 3.79Å; V248-F284 HydrophobicContact CG2-CZ 3.81Å
249L98.7Very high98.2Very high1 Ų137.7 Ų37.71%0.00518%0.177CC..Hα-helixtrans-81.3-11.9-175.8-60.4-173.5000113.4W216 I245 R278 W281 L305 Y307W216-L249 HydrophobicContact CH2-CD1 3.7Å; W216-L249 HydrophobicContact CZ3-CD1 3.87Å; I245-L249 HydrophobicContact CG2-CD1 3.79Å; I245-L249 HydrophobicContact CG2-CG 4.2Å; I245-L249 PolarHBondContact O-N 2.92Å; L249-R278 WeakPolarHBondContact O-CB 3.37Å; L249-R278 WeakPolarHBondContact O-CG 3.19Å; L249-W281 HydrophobicContact CD2-CH2 3.75Å; L249-W281 HydrophobicContact CD2-CZ2 3.67Å; L249-L305 WeakPolarHBondContact CD1-O 3.41Å; L249-L305 WeakPolarHBondContact CD2-O 3.44Å; L249-Y307 HydrophobicContact CB-CD2 4.19Å; L249-Y307 HydrophobicContact CB-CE2 3.33Å; L249-Y307 HydrophobicContact CD1-CD2 4.31Å; L249-Y307 HydrophobicContact CD1-CE1 4.42Å; L249-Y307 HydrophobicContact CD1-CE2 4.05Å; L249-Y307 HydrophobicContact CG-CE2 4.34Å
250G98.4Very high98.2Very high1 Ų140 Ų401%0.0119%0.188CC..  trans89.7152.5-178.700000112.6A246 V248 H276 Y307A246-G250 CarbonylContact O-C 3.58Å; A246-G250 VanDerWaalsContact O-CA 3.28Å; A246-G250 WeakPolarHBondContact O-CA 3.42Å; A246-G250 PolarHBondContact O-N 3.49Å; V248-G250 VanDerWaalsContact C-N 3.31Å; V248-G250 PolarHBondContact O-N 3.13Å; G250-H276 CarbonylContact C-O 3.55Å; G250-H276 VanDerWaalsContact CA-O 3.24Å; G250-H276 WeakPolarHBondContact CA-O 3.45Å; G250-Y307 WeakPolarHBondContact O-CE2 3.28Å; G250-Y307 PolarHBondContact O-OH 2.66Å
251T98.1Very high98.2Very high9 Ų939.9 Ų39.96%0.05519%0.187CC..SBendtrans-83.9-24.2179.448.20000112.9A246 L254 Y255 H276A246-T251 HydrophobicContact CB-CG2 3.99Å; T251-L254 WeakPolarHBondContact O-CB 3.43Å; T251-L254 PolarHBondContact O-N 3Å; T251-Y255 WeakPolarHBondContact O-CD2 3.35Å; T251-Y255 PolarHBondContact O-N 3.05Å; T251-H276 HydrophobicContact CG2-CB 4.11Å; T251-H276 PolarHBondContact N-O 3.18Å; T251-H276 PolarHBondContact OG1-N 3.03Å; T251-H276 PolarHBondContact OG1-O 2.81Å
252E97.9Very high98.2Very high144 Ų14443.1 Ų43.167%0.67320%0.204SC*.Hα-helixtrans-62.3-57.5178-170.6172.7-178.700110.9L254 Y255 D256E252-L254 PolarHBondContact O-N 2.98Å; E252-L254 VanDerWaalsContact O-N 3.08Å; E252-Y255 PolarHBondContact O-N 2.91Å; E252-D256 PolarHBondContact O-N 3.27Å
253D97.6Very high98.1Very high58 Ų5844 Ų4431%0.3121%0.208SC..Hα-helixtrans-55.6-29.1174.7-57.17.9000113.4Y257 R278 Y307D253-Y257 WeakPolarHBondContact O-CB 3.27Å; D253-Y257 PolarHBondContact O-N 2.9Å; D253-R278 IonicContact OD2-CZ 3.17Å; D253-R278 IonicContact OD2-NH1 3.5Å; D253-R278 PolarHBondContact OD2-NH1 2.93Å; D253-Y307 HydrophobicContact CB-CD2 3.64Å; D253-Y307 HydrophobicContact CB-CE2 3.93Å
254L98.3Very high98Very high0 Ų052 Ų520%025%0.245CC..Hα-helixtrans-71.2-44.9175.5173.360.5000111.4L242 A246 T251 E252 Y257 I258 L273 Y307L242-L254 HydrophobicContact CD1-CD1 4.27Å; L242-L254 HydrophobicContact CD1-CD2 4.46Å; L242-L254 HydrophobicContact CD2-CD2 4.44Å; L242-L254 HydrophobicContact CG-CD2 4.4Å; A246-L254 HydrophobicContact CB-CD2 4.31Å; T251-L254 WeakPolarHBondContact O-CB 3.43Å; T251-L254 PolarHBondContact O-N 3Å; E252-L254 PolarHBondContact O-N 2.98Å; E252-L254 VanDerWaalsContact O-N 3.08Å; L254-Y257 WeakPolarHBondContact O-CB 3.18Å; L254-Y257 PolarHBondContact O-N 3.12Å; L254-I258 HydrophobicContact CD1-CD1 3.99Å; L254-I258 HydrophobicContact CD1-CG1 4.31Å; L254-I258 HydrophobicContact CG-CD1 3.95Å; L254-I258 VanDerWaalsContact O-CG1 3.32Å; L254-I258 WeakPolarHBondContact O-CG1 3.27Å; L254-I258 PolarHBondContact O-N 3.5Å; L254-L273 HydrophobicContact CD2-CD1 4.14Å; L254-L273 HydrophobicContact CD2-CD2 4.09Å; L254-Y307 HydrophobicContact CB-CD1 4.34Å; L254-Y307 HydrophobicContact CB-CD2 4.32Å; L254-Y307 HydrophobicContact CB-CE1 3.95Å; L254-Y307 HydrophobicContact CB-CE2 3.9Å; L254-Y307 HydrophobicContact CD1-CD1 3.79Å; L254-Y307 HydrophobicContact CD1-CE1 3.68Å; L254-Y307 HydrophobicContact CG-CE1 4.26Å
255Y97.8Very high97.8Very high91 Ų9149 Ų4936%0.35724%0.237SC..Hα-helixtrans-67.6-40.1178.2-66.2-52.3000111.2T251 E252 Y257 I258 D259T251-Y255 WeakPolarHBondContact O-CD2 3.35Å; T251-Y255 PolarHBondContact O-N 3.05Å; E252-Y255 PolarHBondContact O-N 2.91Å; Y255-Y257 VanDerWaalsContact C-N 3.25Å; Y255-Y257 PolarHBondContact O-N 3.33Å; Y255-I258 HydrophobicContact CD1-CD1 4.23Å; Y255-I258 PolarHBondContact O-N 2.92Å; Y255-I258 VanDerWaalsContact O-N 3.12Å; Y255-D259 WeakPolarHBondContact O-CB 3.4Å; Y255-D259 PolarHBondContact O-N 2.99Å
256D98Very high97.7Very high96 Ų9651.8 Ų51.851%0.51325%0.251SS..Hα-helixtrans-57.7-40.1172.6-70.8-11.6000111.9E252 K260E252-D256 PolarHBondContact O-N 3.27Å; D256-K260 WeakPolarHBondContact O-CB 3.46Å; D256-K260 PolarHBondContact O-N 2.9Å
257Y98.3Very high97.5Very high4 Ų456 Ų562%0.01628%0.278CS..Hα-helixtrans-65.2-45.3174.8173.3-111.9000112.3V204 D253 L254 Y255 D259 K260 Y261 I263 D308 H309V204-Y257 HydrophobicContact CG2-CE1 4.13Å; D253-Y257 WeakPolarHBondContact O-CB 3.27Å; D253-Y257 PolarHBondContact O-N 2.9Å; L254-Y257 WeakPolarHBondContact O-CB 3.18Å; L254-Y257 PolarHBondContact O-N 3.12Å; Y255-Y257 VanDerWaalsContact C-N 3.25Å; Y255-Y257 PolarHBondContact O-N 3.33Å; Y257-D259 VanDerWaalsContact C-N 3.35Å; Y257-K260 PolarHBondContact O-N 3.21Å; Y257-Y261 AromaticContact CD2-CD2 3.53Å; Y257-Y261 HydrophobicContact CD2-CD2 3.53Å; Y257-Y261 AromaticContact CD2-CE2 3.52Å; Y257-Y261 HydrophobicContact CD2-CE2 3.52Å; Y257-Y261 AromaticContact CE2-CD2 3.32Å; Y257-Y261 HydrophobicContact CE2-CD2 3.32Å; Y257-Y261 AromaticContact CE2-CE2 3.27Å; Y257-Y261 HydrophobicContact CE2-CE2 3.27Å; Y257-Y261 HydrophobicContact CE2-CG 4.41Å; Y257-Y261 HydrophobicContact CG-CD2 4.46Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.38Å; Y257-Y261 PolarHBondContact O-N 3.08Å; Y257-I263 HydrophobicContact CD1-CD1 4.42Å; Y257-I263 HydrophobicContact CE1-CD1 3.9Å; Y257-D308 VanDerWaalsContact CD2-CA 3.48Å; Y257-D308 HydrophobicContact CD2-CB 3.99Å; Y257-D308 HydrophobicContact CE2-CB 4.45Å; Y257-H309 AromaticContact CE2-ND1 3.67Å; Y257-H309 AromaticContact CZ-ND1 3.85Å; Y257-H309 PolarHBondContact OH-ND1 2.82Å; Y257-H309 VanDerWaalsContact OH-ND1 3.11Å
258I97.6Very high97.3Very high12 Ų1260.1 Ų60.16%0.06229%0.292CS..Hα-helixtrans-60-46.5177.4-73.1166.4000110.6L254 Y255 Y261 N262 I263 L265L254-I258 HydrophobicContact CD1-CD1 3.99Å; L254-I258 HydrophobicContact CD1-CG1 4.31Å; L254-I258 HydrophobicContact CG-CD1 3.95Å; L254-I258 VanDerWaalsContact O-CG1 3.32Å; L254-I258 WeakPolarHBondContact O-CG1 3.27Å; L254-I258 PolarHBondContact O-N 3.5Å; Y255-I258 HydrophobicContact CD1-CD1 4.23Å; Y255-I258 PolarHBondContact O-N 2.92Å; Y255-I258 VanDerWaalsContact O-N 3.12Å; I258-Y261 PolarHBondContact O-N 3.48Å; I258-N262 WeakPolarHBondContact O-CA 3.45Å; I258-N262 PolarHBondContact O-N 3.37Å; I258-I263 HydrophobicContact CG2-CB 4.23Å; I258-I263 VanDerWaalsContact CG2-O 3.31Å; I258-I263 WeakPolarHBondContact CG2-O 3.49Å; I258-I263 PolarHBondContact O-N 3.44Å; I258-L265 HydrophobicContact CD1-CB 4.49Å; I258-L265 HydrophobicContact CD1-CD1 4.05Å; I258-L265 HydrophobicContact CD1-CD2 3.96Å; I258-L265 HydrophobicContact CD1-CG 4.39Å
259D97.6Very high97.2Very high122 Ų12259.9 Ų59.965%0.65229%0.291SS*.Hα-helixtrans-66.8-44.8-179.7-72-11.8000111.3Y255 Y257 Y261 N262Y255-D259 WeakPolarHBondContact O-CB 3.4Å; Y255-D259 PolarHBondContact O-N 2.99Å; Y257-D259 VanDerWaalsContact C-N 3.35Å; D259-Y261 PolarHBondContact O-N 2.87Å; D259-N262 PolarHBondContact O-N 3.27Å; D259-N262 VanDerWaalsContact O-N 3.12Å
260K98.1Very high96.8Very high112 Ų11265.7 Ų65.749%0.48732%0.322SS..Hα-helixtrans-54.2-40.1177.9174.8175.6175.1175.10112.6D256 Y257 D308D256-K260 WeakPolarHBondContact O-CB 3.46Å; D256-K260 PolarHBondContact O-N 2.9Å; Y257-K260 PolarHBondContact O-N 3.21Å; K260-D308 IonicContact NZ-OD1 3.12Å; K260-D308 IonicContact NZ-OD2 3.22Å; K260-D308 PolarHBondContact NZ-OD2 3.22Å
261Y98Very high96.5Very high11 Ų1172.7 Ų72.74%0.04336%0.359CS..THydrogen-bonded Turntrans-101.86.4-177.9-67.3-79.9000113.8P4 V5 Y206 Y257 I258 D259 I263 D308 H309 Q310P4-Y261 WeakPolarHBondContact CA-O 3.32Å; V5-Y261 PolarHBondContact N-O 2.69Å; Y206-Y261 HydrophobicContact CE2-CD1 4.2Å; Y206-Y261 HydrophobicContact CE2-CG 4.36Å; Y206-Y261 AromaticContact CZ-CD1 3.87Å; Y257-Y261 AromaticContact CD2-CD2 3.53Å; Y257-Y261 HydrophobicContact CD2-CD2 3.53Å; Y257-Y261 AromaticContact CD2-CE2 3.52Å; Y257-Y261 HydrophobicContact CD2-CE2 3.52Å; Y257-Y261 AromaticContact CE2-CD2 3.32Å; Y257-Y261 HydrophobicContact CE2-CD2 3.32Å; Y257-Y261 AromaticContact CE2-CE2 3.27Å; Y257-Y261 HydrophobicContact CE2-CE2 3.27Å; Y257-Y261 HydrophobicContact CE2-CG 4.41Å; Y257-Y261 HydrophobicContact CG-CD2 4.46Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.38Å; Y257-Y261 PolarHBondContact O-N 3.08Å; I258-Y261 PolarHBondContact O-N 3.48Å; D259-Y261 PolarHBondContact O-N 2.87Å; Y261-I263 VanDerWaalsContact C-N 3.31Å; Y261-I263 PolarHBondContact O-N 2.82Å; Y261-D308 WeakPolarHBondContact CE2-OD1 3.13Å; Y261-D308 PolarHBondContact OH-OD1 2.73Å; Y261-H309 AromaticContact CE1-CE1 3.73Å; Y261-H309 AromaticContact CE2-CE1 3.99Å; Y261-H309 AromaticContact CZ-CE1 3.55Å; Y261-Q310 WeakPolarHBondContact OH-CG 3.31Å
262N97.6Very high96.4Very high68 Ų6875.8 Ų75.836%0.36437%0.374SS..THydrogen-bonded Turntrans49.450.3-177.9-171.644000112.1S2 G3 V5 I258 D259S2-N262 PolarHBondContact O-ND2 3.31Å; S2-N262 PolarHBondContact OG-ND2 3.46Å; G3-N262 PolarHBondContact O-ND2 2.85Å; V5-N262 HydrophobicContact CG2-CB 3.9Å; I258-N262 WeakPolarHBondContact O-CA 3.45Å; I258-N262 PolarHBondContact O-N 3.37Å; D259-N262 PolarHBondContact O-N 3.27Å; D259-N262 VanDerWaalsContact O-N 3.12Å
263I97.1Very high96.3Very high17 Ų1769 Ų699%0.08734%0.343CS..  trans-86.4127.1-175.9-60.1171.8000109.6V204 Y206 Y257 I258 Y261 L265V204-I263 HydrophobicContact CB-CG2 4.04Å; V204-I263 HydrophobicContact CG2-CD1 3.8Å; V204-I263 HydrophobicContact CG2-CG2 3.98Å; V204-I263 VanDerWaalsContact O-CG2 3.28Å; V204-I263 WeakPolarHBondContact O-CG2 3.13Å; Y206-I263 HydrophobicContact CD2-CD1 3.88Å; Y206-I263 HydrophobicContact CD2-CG1 3.85Å; Y206-I263 HydrophobicContact CG-CD1 4.11Å; Y257-I263 HydrophobicContact CD1-CD1 4.42Å; Y257-I263 HydrophobicContact CE1-CD1 3.9Å; I258-I263 HydrophobicContact CG2-CB 4.23Å; I258-I263 VanDerWaalsContact CG2-O 3.31Å; I258-I263 WeakPolarHBondContact CG2-O 3.49Å; I258-I263 PolarHBondContact O-N 3.44Å; Y261-I263 VanDerWaalsContact C-N 3.31Å; Y261-I263 PolarHBondContact O-N 2.82Å; I263-L265 PolarHBondContact O-N 2.86Å
264E95.5Very high96.1Very high172 Ų17268.2 Ų68.280%0.80435%0.348SS*.  trans-80.3105.7170.8-171.3178.1171.200109.7
265L95.1Very high96Very high33 Ų3379.1 Ų79.117%0.17339%0.389CS..  trans-77.2132.6179.7-168.669.4000110.8V204 L242 I258 I263 F269 L273V204-L265 HydrophobicContact CB-CD1 4.18Å; V204-L265 HydrophobicContact CG1-CD1 3.8Å; L242-L265 HydrophobicContact CD2-CD1 4.47Å; I258-L265 HydrophobicContact CD1-CB 4.49Å; I258-L265 HydrophobicContact CD1-CD1 4.05Å; I258-L265 HydrophobicContact CD1-CD2 3.96Å; I258-L265 HydrophobicContact CD1-CG 4.39Å; I263-L265 PolarHBondContact O-N 2.86Å; L265-F269 HydrophobicContact CD1-CB 4.45Å; L265-F269 HydrophobicContact CD1-CD2 3.46Å; L265-F269 VanDerWaalsContact CD1-CD2 3.46Å; L265-F269 HydrophobicContact CD1-CE2 3.84Å; L265-F269 HydrophobicContact CD1-CG 4.07Å; L265-F269 HydrophobicContact CD2-CB 3.65Å; L265-F269 HydrophobicContact CD2-CD2 4.23Å; L265-F269 HydrophobicContact CD2-CG 4.16Å; L265-F269 HydrophobicContact CG-CB 3.9Å; L265-F269 HydrophobicContact CG-CD2 3.6Å; L265-F269 HydrophobicContact CG-CE2 4.45Å; L265-F269 HydrophobicContact CG-CG 4.04Å; L265-L273 HydrophobicContact CD2-CD1 3.79Å
266D96Very high96Very high57 Ų5777.5 Ų77.531%0.30539%0.385SS..  trans-54.9128177-173.7-49.6000110.5Y239 R268 F269Y239-D266 HydrophobicContact CE1-CB 4.22Å; Y239-D266 PolarHBondContact OH-OD2 3.34Å; Y239-D266 VanDerWaalsContact OH-OD2 3.05Å; D266-R268 PolarHBondContact O-N 2.68Å; D266-R268 WeakPolarHBondContact OD1-CB 3.42Å; D266-R268 WeakPolarHBondContact OD1-CG 3.15Å; D266-R268 PolarHBondContact OD1-N 3.03Å; D266-R268 IonicContact OD1-NE 2.96Å; D266-R268 IonicContact OD2-NE 3.32Å; D266-F269 HydrophobicContact CB-CD2 3.97Å; D266-F269 HydrophobicContact CB-CE2 4.19Å; D266-F269 WeakPolarHBondContact O-CB 3.23Å; D266-F269 WeakPolarHBondContact O-CD2 3.1Å; D266-F269 PolarHBondContact O-N 3.19Å
267P95.2Very high95.9Very high88 Ų8877.9 Ų77.957%0.57140%0.395SS*.G310 helixtrans-53.8-23.9-177.6-28.735000115.1F269 N270P267-F269 PolarHBondContact O-N 2.79Å; P267-F269 VanDerWaalsContact O-N 3.16Å; P267-N270 VanDerWaalsContact O-CB 3.25Å; P267-N270 WeakPolarHBondContact O-CB 3.36Å; P267-N270 PolarHBondContact O-N 3.46Å; P267-N270 PolarHBondContact O-ND2 3.38Å
268R94.7Very high95.9Very high156 Ų15682 Ų8259%0.58941%0.41SS*.G310 helixtrans-57.8-26.4174.5-66.1176.4-150.6-158.2-0.1113Y239 D266 N270Y239-R268 HydrophobicContact CD1-CB 4.24Å; Y239-R268 HydrophobicContact CE1-CB 3.93Å; Y239-R268 HydrophobicContact CE1-CG 4.49Å; Y239-R268 PolarHBondContact OH-NE 3.12Å; D266-R268 PolarHBondContact O-N 2.68Å; D266-R268 WeakPolarHBondContact OD1-CB 3.42Å; D266-R268 WeakPolarHBondContact OD1-CG 3.15Å; D266-R268 PolarHBondContact OD1-N 3.03Å; D266-R268 IonicContact OD1-NE 2.96Å; D266-R268 IonicContact OD2-NE 3.32Å; R268-N270 PolarHBondContact O-N 3.09Å
269F95.6Very high96Very high6 Ų684.3 Ų84.33%0.02642%0.42CS..G310 helixtrans-68.4-23.2178.2-76.5-64.3000113.4Y239 L242 L265 D266 P267 D271 I272 L273Y239-F269 HydrophobicContact CD1-CD1 4.14Å; Y239-F269 HydrophobicContact CD1-CD2 4.24Å; Y239-F269 AromaticContact CD1-CE1 3.65Å; Y239-F269 HydrophobicContact CD1-CE1 3.65Å; Y239-F269 AromaticContact CD1-CE2 3.79Å; Y239-F269 HydrophobicContact CD1-CE2 3.79Å; Y239-F269 HydrophobicContact CD1-CG 4.42Å; Y239-F269 AromaticContact CD1-CZ 3.48Å; Y239-F269 HydrophobicContact CD1-CZ 3.48Å; Y239-F269 VanDerWaalsContact CD1-CZ 3.48Å; Y239-F269 HydrophobicContact CE1-CD2 4.36Å; Y239-F269 AromaticContact CE1-CE2 3.92Å; Y239-F269 HydrophobicContact CE1-CE2 3.92Å; Y239-F269 HydrophobicContact CE1-CZ 4.04Å; Y239-F269 HydrophobicContact CG-CE1 4.35Å; Y239-F269 HydrophobicContact CG-CZ 4.34Å; L242-F269 HydrophobicContact CB-CE1 3.84Å; L242-F269 HydrophobicContact CB-CZ 4.26Å; L242-F269 HydrophobicContact CD2-CD1 4.04Å; L242-F269 HydrophobicContact CD2-CE1 3.53Å; L242-F269 HydrophobicContact CD2-CE2 4.23Å; L242-F269 HydrophobicContact CD2-CZ 3.62Å; L242-F269 HydrophobicContact CG-CE1 4.24Å; L265-F269 HydrophobicContact CD1-CB 4.45Å; L265-F269 HydrophobicContact CD1-CD2 3.46Å; L265-F269 VanDerWaalsContact CD1-CD2 3.46Å; L265-F269 HydrophobicContact CD1-CE2 3.84Å; L265-F269 HydrophobicContact CD1-CG 4.07Å; L265-F269 HydrophobicContact CD2-CB 3.65Å; L265-F269 HydrophobicContact CD2-CD2 4.23Å; L265-F269 HydrophobicContact CD2-CG 4.16Å; L265-F269 HydrophobicContact CG-CB 3.9Å; L265-F269 HydrophobicContact CG-CD2 3.6Å; L265-F269 HydrophobicContact CG-CE2 4.45Å; L265-F269 HydrophobicContact CG-CG 4.04Å; D266-F269 HydrophobicContact CB-CD2 3.97Å; D266-F269 HydrophobicContact CB-CE2 4.19Å; D266-F269 WeakPolarHBondContact O-CB 3.23Å; D266-F269 WeakPolarHBondContact O-CD2 3.1Å; D266-F269 PolarHBondContact O-N 3.19Å; P267-F269 PolarHBondContact O-N 2.79Å; P267-F269 VanDerWaalsContact O-N 3.16Å; F269-D271 PolarHBondContact O-N 3.28Å; F269-I272 HydrophobicContact CD1-CD1 3.89Å; F269-I272 HydrophobicContact CD1-CG1 4.17Å; F269-I272 HydrophobicContact CE1-CD1 4.3Å; F269-I272 PolarHBondContact O-N 3.05Å; F269-L273 HydrophobicContact CB-CD1 3.73Å; F269-L273 HydrophobicContact CB-CG 3.99Å; F269-L273 HydrophobicContact CD1-CD1 4.2Å; F269-L273 HydrophobicContact CD1-CD2 4.13Å; F269-L273 HydrophobicContact CD1-CG 3.91Å; F269-L273 HydrophobicContact CG-CD1 4.21Å; F269-L273 HydrophobicContact CG-CG 4.35Å; F269-L273 WeakPolarHBondContact O-CB 3.31Å; F269-L273 PolarHBondContact O-N 2.9Å
270N90.7Very high96Very high123 Ų12386.7 Ų86.766%0.65842%0.42SS*.G310 helixtrans-58.3-35.4179.7-66.3-22.5000112.2P267 R268P267-N270 VanDerWaalsContact O-CB 3.25Å; P267-N270 WeakPolarHBondContact O-CB 3.36Å; P267-N270 PolarHBondContact O-N 3.46Å; P267-N270 PolarHBondContact O-ND2 3.38Å; R268-N270 PolarHBondContact O-N 3.09Å
271D92.4Very high96Very high148 Ų14881.9 Ų81.979%0.79140%0.399SS*.G310 helixtrans-88-17-175.6-60.8-36.7000113.5F269F269-D271 PolarHBondContact O-N 3.28Å
272I95.6Very high96Very high73 Ų7385.4 Ų85.437%0.37442%0.416SS..THydrogen-bonded Turntrans-120.8-25.5-166.465.1174.8000115.1Y239 V243 F269Y239-I272 HydrophobicContact CD1-CD1 4.38Å; Y239-I272 HydrophobicContact CG-CD1 4.4Å; V243-I272 WeakPolarHBondContact CG1-O 3.31Å; V243-I272 HydrophobicContact CG2-CB 4.17Å; V243-I272 HydrophobicContact CG2-CD1 3.95Å; V243-I272 HydrophobicContact CG2-CG1 3.87Å; F269-I272 HydrophobicContact CD1-CD1 3.89Å; F269-I272 HydrophobicContact CD1-CG1 4.17Å; F269-I272 HydrophobicContact CE1-CD1 4.3Å; F269-I272 PolarHBondContact O-N 3.05Å
273L95Very high96Very high2 Ų290.9 Ų90.91%0.0143%0.431CS..SBendtrans-68.8-37.5-177.2-79.7176000112.2L242 V243 A246 L254 L265 F269 H276L242-L273 HydrophobicContact CD2-CD2 4.24Å; L242-L273 HydrophobicContact CG-CD2 4.12Å; V243-L273 HydrophobicContact CG2-CD2 4.12Å; A246-L273 HydrophobicContact CB-CD2 4.24Å; L254-L273 HydrophobicContact CD2-CD1 4.14Å; L254-L273 HydrophobicContact CD2-CD2 4.09Å; L265-L273 HydrophobicContact CD2-CD1 3.79Å; F269-L273 HydrophobicContact CB-CD1 3.73Å; F269-L273 HydrophobicContact CB-CG 3.99Å; F269-L273 HydrophobicContact CD1-CD1 4.2Å; F269-L273 HydrophobicContact CD1-CD2 4.13Å; F269-L273 HydrophobicContact CD1-CG 3.91Å; F269-L273 HydrophobicContact CG-CD1 4.21Å; F269-L273 HydrophobicContact CG-CG 4.35Å; F269-L273 WeakPolarHBondContact O-CB 3.31Å; F269-L273 PolarHBondContact O-N 2.9Å; L273-H276 PolarHBondContact O-CD2 3Å; L273-H276 PolarHBondContact O-NE2 3.48Å
274G93.3Very high96.1Very high41 Ų4191.8 Ų91.842%0.42343%0.434SS..  trans60-160.5-172.600000112.8
275R96.2Very high96.2Very high229 Ų22986.1 Ų86.186%0.86441%0.412SS*.  trans-118128.5169.7-69.9-176.3-179.7-114.6-0.4109.3
276H97.6Very high96.4Very high58 Ų5888.4 Ų88.427%0.26942%0.421SS..  trans-134.9132.7-178.8-64.3-56.1000110.4A246 K247 G250 T251 L273A246-H276 WeakPolarHBondContact O-CB 3.35Å; K247-H276 WeakPolarHBondContact CE-NE2 3.3Å; K247-H276 VanDerWaalsContact CG-NE2 3.3Å; K247-H276 WeakPolarHBondContact CG-NE2 3.01Å; G250-H276 CarbonylContact C-O 3.55Å; G250-H276 VanDerWaalsContact CA-O 3.24Å; G250-H276 WeakPolarHBondContact CA-O 3.45Å; T251-H276 HydrophobicContact CG2-CB 4.11Å; T251-H276 PolarHBondContact N-O 3.18Å; T251-H276 PolarHBondContact OG1-N 3.03Å; T251-H276 PolarHBondContact OG1-O 2.81Å; L273-H276 PolarHBondContact O-CD2 3Å; L273-H276 PolarHBondContact O-NE2 3.48Å
277S97.7Very high96.4Very high104 Ų10490.2 Ų90.273%0.72744%0.438SS*.PPolyproline II helixtrans-77.9146.5169.153.80000110.7K279S277-K279 PolarHBondContact O-N 2.79Å
278R98.3Very high96.5Very high90 Ų9092.2 Ų92.234%0.3444%0.44SS..PPolyproline II helixtrans-58.2129.2173.7-174.6176.6-17695.93109.9L249 D253 D302L249-R278 WeakPolarHBondContact O-CB 3.37Å; L249-R278 WeakPolarHBondContact O-CG 3.19Å; D253-R278 IonicContact OD2-CZ 3.17Å; D253-R278 IonicContact OD2-NH1 3.5Å; D253-R278 PolarHBondContact OD2-NH1 2.93Å; R278-D302 IonicContact CZ-OD1 2.97Å; R278-D302 IonicContact NH2-OD1 2.93Å; R278-D302 PolarHBondContact NH2-OD1 3.14Å
279K98.2Very high96.6Very high60 Ų6084.8 Ų84.826%0.26141%0.412SS..PPolyproline II helixtrans-90.4136.5174.7-69.8176.2-179.3155.50109.3K247 V248 S277 F284K247-K279 VanDerWaalsContact O-CD 3.28Å; K247-K279 WeakPolarHBondContact O-CD 3.23Å; K247-K279 WeakPolarHBondContact O-CE 3.23Å; K247-K279 PolarHBondContact O-NZ 2.92Å; V248-K279 PolarHBondContact O-N 3.22Å; S277-K279 PolarHBondContact O-N 2.79Å; K279-F284 HydrophobicContact CD-CZ 4.41Å
280R98.2Very high96.7Very high172 Ų17290.5 Ų90.565%0.64944%0.439SS*.PPolyproline II helixtrans-64139.5166-73.7-170.164.9-155.23.9110.8E282 R283R280-E282 WeakPolarHBondContact CB-OE2 3.48Å; R280-E282 IonicContact CZ-OE1 3.59Å; R280-E282 IonicContact CZ-OE2 3.6Å; R280-E282 IonicContact NE-OE1 3.85Å; R280-E282 IonicContact NE-OE2 3.31Å; R280-E282 PolarHBondContact NE-OE2 2.62Å; R280-E282 IonicContact NH2-OE1 2.69Å; R280-E282 PolarHBondContact NH2-OE1 3.46Å; R280-E282 IonicContact NH2-OE2 3.46Å; R280-E282 PolarHBondContact NH2-OE2 2.88Å; R280-E282 PolarHBondContact O-N 3.43Å; R280-R283 VanDerWaalsContact O-CB 3.24Å; R280-R283 WeakPolarHBondContact O-CB 3.21Å; R280-R283 PolarHBondContact O-N 3.12Å; R280-R283 VanDerWaalsContact O-N 3.14Å
281W98.6Very high97.1Very high12 Ų1289.6 Ų89.65%0.04543%0.43CS..G310 helixtrans-63.2-30.2-178.6-65.7116.2000112.9F227 F232 V248 L249 R283 F284 L298 L301 D302 L305F227-W281 HydrophobicContact CE2-CE3 4.04Å; F227-W281 HydrophobicContact CZ-CB 4.25Å; F227-W281 HydrophobicContact CZ-CE3 4.36Å; F232-W281 AromaticContact CE1-CZ3 3.87Å; F232-W281 HydrophobicContact CE1-CZ3 3.87Å; F232-W281 HydrophobicContact CZ-CE3 4.48Å; F232-W281 AromaticContact CZ-CZ3 3.89Å; F232-W281 HydrophobicContact CZ-CZ3 3.89Å; V248-W281 HydrophobicContact CG1-CH2 4.05Å; V248-W281 HydrophobicContact CG1-CZ3 3.8Å; L249-W281 HydrophobicContact CD2-CH2 3.75Å; L249-W281 HydrophobicContact CD2-CZ2 3.67Å; W281-R283 PolarHBondContact O-N 3.26Å; W281-F284 HydrophobicContact CE3-CD2 4.15Å; W281-F284 HydrophobicContact CE3-CE2 4.15Å; W281-F284 HydrophobicContact CZ3-CE2 4.43Å; W281-F284 WeakPolarHBondContact O-CD2 3.38Å; W281-F284 PolarHBondContact O-N 3.08Å; W281-L298 HydrophobicContact CB-CD1 4.45Å; W281-L298 HydrophobicContact CB-CD2 3.79Å; W281-L301 HydrophobicContact CD2-CD2 4.05Å; W281-L301 HydrophobicContact CE3-CD2 3.8Å; W281-L301 HydrophobicContact CH2-CD2 4.38Å; W281-L301 HydrophobicContact CZ2-CG 4.49Å; W281-L301 HydrophobicContact CZ3-CD2 3.98Å; W281-D302 PolarHBondContact NE1-OD1 2.83Å; W281-L305 HydrophobicContact CH2-CB 4.04Å; W281-L305 HydrophobicContact CH2-CD1 3.58Å; W281-L305 HydrophobicContact CH2-CG 4.46Å; W281-L305 HydrophobicContact CZ2-CB 4.03Å; W281-L305 HydrophobicContact CZ2-CD1 4.28Å; W281-L305 HydrophobicContact CZ3-CD1 4.22Å
282E98.1Very high97.4Very high85 Ų8582.6 Ų82.640%0.39739%0.393SS..G310 helixtrans-57.9-22.3176.3-6387.3155.100112.7R280 F284 V285 L298R280-E282 WeakPolarHBondContact CB-OE2 3.48Å; R280-E282 IonicContact CZ-OE1 3.59Å; R280-E282 IonicContact CZ-OE2 3.6Å; R280-E282 IonicContact NE-OE1 3.85Å; R280-E282 IonicContact NE-OE2 3.31Å; R280-E282 PolarHBondContact NE-OE2 2.62Å; R280-E282 IonicContact NH2-OE1 2.69Å; R280-E282 PolarHBondContact NH2-OE1 3.46Å; R280-E282 IonicContact NH2-OE2 3.46Å; R280-E282 PolarHBondContact NH2-OE2 2.88Å; R280-E282 PolarHBondContact O-N 3.43Å; E282-F284 PolarHBondContact O-N 3Å; E282-V285 WeakPolarHBondContact O-CB 3.39Å; E282-V285 PolarHBondContact O-N 2.87Å; E282-V285 VanDerWaalsContact O-N 3.1Å; E282-L298 HydrophobicContact CG-CD1 3.73Å
283R97.8Very high97.5Very high182 Ų18280.4 Ų80.469%0.68738%0.383SS*.G310 helixtrans-63.1-21.6175.7-176.8170.5177.1156.75.9113.3R280 W281R280-R283 VanDerWaalsContact O-CB 3.24Å; R280-R283 WeakPolarHBondContact O-CB 3.21Å; R280-R283 PolarHBondContact O-N 3.12Å; R280-R283 VanDerWaalsContact O-N 3.14Å; W281-R283 PolarHBondContact O-N 3.26Å
284F98.3Very high97.6Very high36 Ų3681.2 Ų81.216%0.15839%0.389CS..G310 helixtrans-91.60.4178.6-58.1-79000112.8F227 F232 V248 K279 W281 E282 N289F227-F284 HydrophobicContact CB-CB 4.37Å; F227-F284 HydrophobicContact CD1-CB 3.54Å; F227-F284 HydrophobicContact CD2-CB 4.04Å; F227-F284 HydrophobicContact CE1-CB 3.71Å; F227-F284 HydrophobicContact CE2-CB 4.16Å; F227-F284 HydrophobicContact CE2-CD2 4.47Å; F227-F284 HydrophobicContact CG-CB 3.73Å; F227-F284 HydrophobicContact CZ-CB 4.01Å; F232-F284 AromaticContact CE2-CD1 3.99Å; F232-F284 HydrophobicContact CE2-CD1 3.99Å; F232-F284 HydrophobicContact CE2-CD2 4.48Å; F232-F284 HydrophobicContact CE2-CE1 4.28Å; F232-F284 HydrophobicContact CE2-CG 4.1Å; F232-F284 HydrophobicContact CZ-CD1 4.05Å; F232-F284 HydrophobicContact CZ-CD2 4.05Å; F232-F284 AromaticContact CZ-CE1 3.97Å; F232-F284 HydrophobicContact CZ-CE1 3.97Å; F232-F284 AromaticContact CZ-CE2 3.98Å; F232-F284 HydrophobicContact CZ-CE2 3.98Å; F232-F284 HydrophobicContact CZ-CG 4.1Å; F232-F284 AromaticContact CZ-CZ 3.94Å; F232-F284 HydrophobicContact CZ-CZ 3.94Å; V248-F284 HydrophobicContact CB-CZ 4.42Å; V248-F284 HydrophobicContact CG1-CE2 3.8Å; V248-F284 HydrophobicContact CG1-CZ 3.79Å; V248-F284 HydrophobicContact CG2-CZ 3.81Å; K279-F284 HydrophobicContact CD-CZ 4.41Å; W281-F284 HydrophobicContact CE3-CD2 4.15Å; W281-F284 HydrophobicContact CE3-CE2 4.15Å; W281-F284 HydrophobicContact CZ3-CE2 4.43Å; W281-F284 WeakPolarHBondContact O-CD2 3.38Å; W281-F284 PolarHBondContact O-N 3.08Å; E282-F284 PolarHBondContact O-N 3Å; F284-N289 PolarHBondContact O-ND2 3.05Å
285V98.4Very high97.9Very high54 Ų5484 Ų8433%0.32740%0.4SS..  trans-83.5130.8178-174.80000110.2F227 E282 N289 Q290 V293F227-V285 HydrophobicContact CE1-CG2 4.15Å; E282-V285 WeakPolarHBondContact O-CB 3.39Å; E282-V285 PolarHBondContact O-N 2.87Å; E282-V285 VanDerWaalsContact O-N 3.1Å; V285-N289 WeakPolarHBondContact CA-OD1 3.42Å; V285-Q290 HydrophobicContact CG1-CB 3.92Å; V285-V293 HydrophobicContact CG2-CB 4.23Å; V285-V293 HydrophobicContact CG2-CG1 3.79Å; V285-V293 HydrophobicContact CG2-CG2 4.23Å
286H97.7Very high98Very high80 Ų8077 Ų7737%0.3738%0.377SS..  trans-144174.4174.758.191.7000110.6E288 N289 Q290H286-E288 IonicContact CE1-OE2 2.84Å; H286-E288 PolarHBondContact O-N 3.34Å; H286-E288 VanDerWaalsContact O-N 3.08Å; H286-N289 PolarHBondContact CD2-ND2 3.44Å; H286-N289 PolarHBondContact N-OD1 2.68Å; H286-N289 PolarHBondContact NE2-ND2 3.2Å; H286-N289 PolarHBondContact O-N 2.76Å; H286-N289 PolarHBondContact O-OD1 2.83Å; H286-N289 VanDerWaalsContact O-OD1 3.05Å; H286-Q290 PolarHBondContact O-N 3Å
287S97.6Very high98Very high95 Ų9574.3 Ų74.366%0.66436%0.364SS*.THydrogen-bonded Turntrans-53.5-34.2-173.350.10000114.4
288E96.1Very high98.1Very high131 Ų13170.3 Ų70.361%0.61233%0.334SS*.THydrogen-bonded Turntrans-80.3-17.2-177.7-51.6179.2163.100113.9R228 H286 H291R228-E288 WeakPolarHBondContact CD-O 3.47Å; R228-E288 PolarHBondContact NE-O 3.21Å; H286-E288 IonicContact CE1-OE2 2.84Å; H286-E288 PolarHBondContact O-N 3.34Å; H286-E288 VanDerWaalsContact O-N 3.08Å; E288-H291 PolarHBondContact O-CE1 2.98Å; E288-H291 PolarHBondContact O-ND1 2.89Å
289N97.8Very high98.1Very high0 Ų069.1 Ų69.10%034%0.335CS..THydrogen-bonded Turntrans-122.3-11-1757612.8000114I226 F227 R228 F284 V285 H286 H291 L292I226-N289 WeakPolarHBondContact O-CB 3.27Å; F227-N289 WeakPolarHBondContact CA-ND2 3.47Å; F227-N289 PolarHBondContact O-ND2 3.37Å; F227-N289 VanDerWaalsContact O-ND2 3.08Å; R228-N289 HydrophobicContact CB-CB 4.45Å; R228-N289 HydrophobicContact CG-CB 4.16Å; F284-N289 PolarHBondContact O-ND2 3.05Å; V285-N289 WeakPolarHBondContact CA-OD1 3.42Å; H286-N289 PolarHBondContact CD2-ND2 3.44Å; H286-N289 PolarHBondContact N-OD1 2.68Å; H286-N289 PolarHBondContact NE2-ND2 3.2Å; H286-N289 PolarHBondContact O-N 2.76Å; H286-N289 PolarHBondContact O-OD1 2.83Å; H286-N289 VanDerWaalsContact O-OD1 3.05Å; N289-H291 PolarHBondContact O-N 3.28Å; N289-L292 WeakPolarHBondContact O-CB 3.32Å; N289-L292 PolarHBondContact O-N 3.42Å
290Q97.9Very high98.1Very high125 Ų12566.3 Ų66.358%0.58432%0.323SS*.G310 helixtrans-53.7-27.2-177.267.9-179.58.500114.3V285 H286 L292 V293V285-Q290 HydrophobicContact CG1-CB 3.92Å; H286-Q290 PolarHBondContact O-N 3Å; Q290-L292 VanDerWaalsContact C-N 3.25Å; Q290-L292 PolarHBondContact O-N 3.2Å; Q290-V293 PolarHBondContact O-N 2.79Å
291H97.9Very high98.2Very high104 Ų10458.1 Ų58.148%0.48129%0.292SS..G310 helixtrans-75.1-11.5178.365.6-85000113.9R228 E288 N289R228-H291 PolarHBondContact NH2-NE2 3.28Å; E288-H291 PolarHBondContact O-CE1 2.98Å; E288-H291 PolarHBondContact O-ND1 2.89Å; N289-H291 PolarHBondContact O-N 3.28Å
292L98.3Very high98.2Very high1 Ų159.3 Ų59.31%0.00530%0.299CS..G310 helixtrans-104.4-3.5178.1-54.5176.7000112.4D130 I133 R228 N289 Q290D130-L292 HydrophobicContact CB-CD2 4.33Å; I133-L292 HydrophobicContact CD1-CB 4.41Å; I133-L292 HydrophobicContact CD1-CD1 4.03Å; I133-L292 HydrophobicContact CD1-CD2 3.98Å; I133-L292 HydrophobicContact CD1-CG 4.36Å; R228-L292 HydrophobicContact CG-CD1 4.06Å; N289-L292 WeakPolarHBondContact O-CB 3.32Å; N289-L292 PolarHBondContact O-N 3.42Å; Q290-L292 VanDerWaalsContact C-N 3.25Å; Q290-L292 PolarHBondContact O-N 3.2Å
293V98.2Very high98.2Very high28 Ų2858.1 Ų58.117%0.1729%0.292CS..  trans-115.3110.7-172.6-177.70000109.9I226 F227 V285 Q290 L298I226-V293 HydrophobicContact CB-CG2 4.33Å; F227-V293 HydrophobicContact CD1-CG2 4.16Å; F227-V293 HydrophobicContact CE1-CG2 4.07Å; V285-V293 HydrophobicContact CG2-CB 4.23Å; V285-V293 HydrophobicContact CG2-CG1 3.79Å; V285-V293 HydrophobicContact CG2-CG2 4.23Å; Q290-V293 PolarHBondContact O-N 2.79Å; V293-L298 HydrophobicContact CG1-CD1 3.94Å; V293-L298 HydrophobicContact CG1-CD2 3.48Å; V293-L298 VanDerWaalsContact CG1-CD2 3.48Å; V293-L298 HydrophobicContact CG1-CG 3.65Å
294S98.1Very high98.3Very high18 Ų1849.4 Ų49.413%0.12626%0.26CS..  trans-110.2161.7171.560.40000111E296 A297 L298S294-E296 WeakPolarHBondContact CB-OE2 3.34Å; S294-E296 PolarHBondContact O-N 2.81Å; S294-A297 WeakPolarHBondContact O-CB 3.44Å; S294-A297 PolarHBondContact O-N 3.13Å; S294-A297 WeakPolarHBondContact OG-CB 3.38Å; S294-A297 PolarHBondContact OG-N 3.37Å; S294-A297 VanDerWaalsContact OG-N 3.14Å; S294-L298 PolarHBondContact O-N 3.26Å; S294-L298 VanDerWaalsContact O-N 3.1Å
295P98.4Very high98.3Very high101 Ų10147.7 Ų47.766%0.65625%0.252SS*.Hα-helixtrans-52.4-39.4171.2-26.936.2000112.6L298 D299P295-L298 PolarHBondContact O-N 2.81Å; P295-D299 WeakPolarHBondContact O-CB 3.45Å; P295-D299 PolarHBondContact O-N 2.75Å
296E98.6Very high98.3Very high82 Ų8249.2 Ų49.238%0.38325%0.252SS..Hα-helixtrans-67.7-34.7177.4-61.374.6-16400112.4S294 F300 H321 P322 Y323S294-E296 WeakPolarHBondContact CB-OE2 3.34Å; S294-E296 PolarHBondContact O-N 2.81Å; E296-F300 WeakPolarHBondContact O-CB 3.45Å; E296-F300 PolarHBondContact O-N 3.38Å; E296-H321 PolarHBondContact O-CE1 2.82Å; E296-P322 HydrophobicContact CG-CB 4.33Å; E296-Y323 HydrophobicContact CB-CD2 4.19Å
297A98.7Very high98.4Very high0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-65.2-42.9175.100000111.3I226 S294 L301 Y323I226-A297 HydrophobicContact CD1-CB 4.38Å; S294-A297 WeakPolarHBondContact O-CB 3.44Å; S294-A297 PolarHBondContact O-N 3.13Å; S294-A297 WeakPolarHBondContact OG-CB 3.38Å; S294-A297 PolarHBondContact OG-N 3.37Å; S294-A297 VanDerWaalsContact OG-N 3.14Å; A297-L301 WeakPolarHBondContact O-CB 3.49Å; A297-L301 PolarHBondContact O-N 3.2Å; A297-Y323 HydrophobicContact CB-CD2 3.89Å; A297-Y323 HydrophobicContact CB-CE2 3.45Å; A297-Y323 VanDerWaalsContact CB-CE2 3.45Å
298L98.7Very high98.4Very high20 Ų2042.3 Ų42.311%0.10521%0.21CC..Hα-helixtrans-69.1-43.1179.6-63.6-172.1000112F227 W281 E282 V293 S294 P295 L301 D302F227-L298 HydrophobicContact CE1-CD2 4.08Å; F227-L298 HydrophobicContact CZ-CD2 3.76Å; W281-L298 HydrophobicContact CB-CD1 4.45Å; W281-L298 HydrophobicContact CB-CD2 3.79Å; E282-L298 HydrophobicContact CG-CD1 3.73Å; V293-L298 HydrophobicContact CG1-CD1 3.94Å; V293-L298 HydrophobicContact CG1-CD2 3.48Å; V293-L298 VanDerWaalsContact CG1-CD2 3.48Å; V293-L298 HydrophobicContact CG1-CG 3.65Å; S294-L298 PolarHBondContact O-N 3.26Å; S294-L298 VanDerWaalsContact O-N 3.1Å; P295-L298 PolarHBondContact O-N 2.81Å; L298-L301 PolarHBondContact O-N 2.91Å; L298-D302 WeakPolarHBondContact O-CB 3.35Å; L298-D302 PolarHBondContact O-N 2.81Å
299D98.8Very high98.5Very high66 Ų6636.1 Ų36.135%0.35318%0.181SC..Hα-helixtrans-62.7-42.8174.7177.356.6000111.5P295 D302 K303 H321P295-D299 WeakPolarHBondContact O-CB 3.45Å; P295-D299 PolarHBondContact O-N 2.75Å; D299-D302 PolarHBondContact O-N 3.33Å; D299-K303 VanDerWaalsContact O-CG 3.31Å; D299-K303 WeakPolarHBondContact O-CG 3.21Å; D299-K303 PolarHBondContact O-N 3.32Å; D299-K303 WeakPolarHBondContact OD1-CE 3.22Å; D299-K303 IonicContact OD1-NZ 3.13Å; D299-K303 PolarHBondContact OD1-NZ 2.87Å; D299-K303 VanDerWaalsContact OD1-NZ 3.12Å; D299-K303 WeakPolarHBondContact OD2-CE 3.21Å; D299-K303 IonicContact OD2-NZ 3.97Å; D299-K303 PolarHBondContact OD2-NZ 3.14Å; D299-H321 IonicContact OD2-CE1 3.78Å; D299-H321 PolarHBondContact OD2-CE1 2.84Å; D299-H321 VanDerWaalsContact OD2-CE1 3.29Å; D299-H321 IonicContact OD2-NE2 2.85Å; D299-H321 PolarHBondContact OD2-NE2 3.11Å
300F98.8Very high98.6Very high0 Ų037.8 Ų37.80%019%0.189CC..Hα-helixtrans-60.8-47.7175-177.2-134000111.7L141 L222 E296 D302 K303 L304 L313 A318 H321 Y323 F324L141-F300 HydrophobicContact CD1-CZ 4.21Å; L222-F300 HydrophobicContact CD2-CD1 3.36Å; L222-F300 HydrophobicContact CD2-CE1 3.65Å; L222-F300 HydrophobicContact CD2-CG 4.33Å; E296-F300 WeakPolarHBondContact O-CB 3.45Å; E296-F300 PolarHBondContact O-N 3.38Å; F300-D302 PolarHBondContact O-N 2.6Å; F300-K303 PolarHBondContact O-N 2.96Å; F300-L304 HydrophobicContact CD1-CD1 4.38Å; F300-L304 HydrophobicContact CD2-CD1 4.46Å; F300-L304 HydrophobicContact CD2-CG 4.48Å; F300-L304 HydrophobicContact CE1-CD1 3.83Å; F300-L304 HydrophobicContact CE2-CD1 3.91Å; F300-L304 HydrophobicContact CE2-CD2 4.27Å; F300-L304 HydrophobicContact CE2-CG 4.06Å; F300-L304 HydrophobicContact CZ-CD1 3.56Å; F300-L304 HydrophobicContact CZ-CD2 4.47Å; F300-L304 HydrophobicContact CZ-CG 4.22Å; F300-L304 PolarHBondContact O-N 3.25Å; F300-L313 HydrophobicContact CD2-CD1 3.84Å; F300-L313 HydrophobicContact CE2-CD1 3.87Å; F300-A318 HydrophobicContact CE2-CB 3.59Å; F300-A318 HydrophobicContact CZ-CB 3.96Å; F300-H321 HydrophobicContact CD2-CB 4.01Å; F300-H321 AromaticContact CD2-CG 3.72Å; F300-H321 AromaticContact CD2-ND1 3.96Å; F300-H321 HydrophobicContact CE2-CB 4.39Å; F300-H321 AromaticContact CG-ND1 3.97Å; F300-H321 PolarHBondContact N-CE1 2.81Å; F300-Y323 HydrophobicContact CB-CG 4.46Å; F300-Y323 AromaticContact CD1-CD1 3.62Å; F300-Y323 HydrophobicContact CD1-CD1 3.62Å; F300-Y323 HydrophobicContact CD1-CE1 4.14Å; F300-Y323 HydrophobicContact CD1-CG 4.33Å; F300-Y323 HydrophobicContact CE1-CD1 4.2Å; F300-Y323 HydrophobicContact CG-CD1 4.31Å; F300-F324 HydrophobicContact CD1-CE2 4.2Å; F300-F324 HydrophobicContact CD1-CZ 4.17Å; F300-F324 AromaticContact CE1-CE2 3.62Å; F300-F324 HydrophobicContact CE1-CE2 3.62Å; F300-F324 AromaticContact CE1-CZ 3.43Å; F300-F324 HydrophobicContact CE1-CZ 3.43Å; F300-F324 VanDerWaalsContact CE1-CZ 3.43Å; F300-F324 AromaticContact CE2-CE2 3.98Å; F300-F324 HydrophobicContact CE2-CE2 3.98Å; F300-F324 AromaticContact CZ-CE2 3.5Å; F300-F324 HydrophobicContact CZ-CE2 3.5Å; F300-F324 VanDerWaalsContact CZ-CE2 3.5Å; F300-F324 AromaticContact CZ-CZ 3.69Å; F300-F324 HydrophobicContact CZ-CZ 3.69Å
301L98.9Very high98.6Very high0 Ų034.6 Ų34.60%018%0.18CC..Hα-helixtrans-62.3-42.5179.4-176.966.1000112.2G219 L222 A223 I226 F227 W281 A297 L298 K303 L304 L305G219-L301 VanDerWaalsContact O-CD1 3.27Å; G219-L301 WeakPolarHBondContact O-CD1 3.48Å; L222-L301 HydrophobicContact CB-CD1 4.21Å; L222-L301 HydrophobicContact CD2-CB 4.07Å; L222-L301 HydrophobicContact CD2-CD1 3.94Å; L222-L301 HydrophobicContact CG-CD1 4.21Å; A223-L301 HydrophobicContact CB-CD1 3.91Å; A223-L301 HydrophobicContact CB-CD2 3.97Å; I226-L301 HydrophobicContact CD1-CD2 4.09Å; F227-L301 HydrophobicContact CD2-CD2 4.48Å; F227-L301 HydrophobicContact CE2-CD2 3.52Å; F227-L301 HydrophobicContact CZ-CD2 4.1Å; W281-L301 HydrophobicContact CD2-CD2 4.05Å; W281-L301 HydrophobicContact CE3-CD2 3.8Å; W281-L301 HydrophobicContact CH2-CD2 4.38Å; W281-L301 HydrophobicContact CZ2-CG 4.49Å; W281-L301 HydrophobicContact CZ3-CD2 3.98Å; A297-L301 WeakPolarHBondContact O-CB 3.49Å; A297-L301 PolarHBondContact O-N 3.2Å; L298-L301 PolarHBondContact O-N 2.91Å; L301-K303 PolarHBondContact O-N 3.42Å; L301-L304 PolarHBondContact O-N 3.48Å; L301-L304 VanDerWaalsContact O-N 3.09Å; L301-L305 HydrophobicContact CD1-CD1 3.62Å; L301-L305 HydrophobicContact CD1-CG 3.89Å; L301-L305 HydrophobicContact CD2-CD1 4.5Å; L301-L305 HydrophobicContact CG-CD1 4.08Å; L301-L305 HydrophobicContact CG-CG 4.47Å; L301-L305 PolarHBondContact O-N 3.34Å
302D98.8Very high98.6Very high37 Ų3729.8 Ų29.820%0.19816%0.158CC..Hα-helixtrans-61.6-33.8178.6-17179.2000112.7R278 W281 L298 D299 F300 L304 R306R278-D302 IonicContact CZ-OD1 2.97Å; R278-D302 IonicContact NH2-OD1 2.93Å; R278-D302 PolarHBondContact NH2-OD1 3.14Å; W281-D302 PolarHBondContact NE1-OD1 2.83Å; L298-D302 WeakPolarHBondContact O-CB 3.35Å; L298-D302 PolarHBondContact O-N 2.81Å; D299-D302 PolarHBondContact O-N 3.33Å; F300-D302 PolarHBondContact O-N 2.6Å; D302-L304 VanDerWaalsContact C-N 3.34Å; D302-R306 VanDerWaalsContact O-CG 3.24Å; D302-R306 WeakPolarHBondContact O-CG 3.44Å; D302-R306 PolarHBondContact O-NE 2.81Å; D302-R306 IonicContact OD2-CZ 3.72Å; D302-R306 IonicContact OD2-NE 3.4Å; D302-R306 IonicContact OD2-NH2 3.62Å; D302-R306 PolarHBondContact OD2-NH2 3.04Å; D302-R306 VanDerWaalsContact OD2-NH2 3.13Å
303K98.8Very high98.7Very high60 Ų6031.2 Ų31.226%0.26117%0.165SC..Hα-helixtrans-79.6-12.7176.9-66.5169.4178.3161.10113.7D299 F300 L301 R312 L313 H321D299-K303 VanDerWaalsContact O-CG 3.31Å; D299-K303 WeakPolarHBondContact O-CG 3.21Å; D299-K303 PolarHBondContact O-N 3.32Å; D299-K303 WeakPolarHBondContact OD1-CE 3.22Å; D299-K303 IonicContact OD1-NZ 3.13Å; D299-K303 PolarHBondContact OD1-NZ 2.87Å; D299-K303 VanDerWaalsContact OD1-NZ 3.12Å; D299-K303 WeakPolarHBondContact OD2-CE 3.21Å; D299-K303 IonicContact OD2-NZ 3.97Å; D299-K303 PolarHBondContact OD2-NZ 3.14Å; F300-K303 PolarHBondContact O-N 2.96Å; L301-K303 PolarHBondContact O-N 3.42Å; K303-R312 WeakPolarHBondContact O-CA 3.49Å; K303-L313 HydrophobicContact CB-CD1 3.6Å; K303-L313 HydrophobicContact CB-CD2 4.35Å; K303-L313 HydrophobicContact CB-CG 3.72Å; K303-L313 HydrophobicContact CD-CD1 4.15Å; K303-L313 HydrophobicContact CD-CD2 4.43Å; K303-L313 PolarHBondContact O-N 2.98Å; K303-L313 VanDerWaalsContact O-N 3.1Å; K303-H321 PolarHBondContact NZ-NE2 2.79Å
304L98.9Very high98.7Very high0 Ų030.7 Ų30.70%016%0.162CC..Hα-helixtrans-94.8-47.9172.7-68.3177.9000112.4M215 L218 L222 F300 L301 D302 R306 R312 L313M215-L304 HydrophobicContact CB-CD2 4.36Å; M215-L304 HydrophobicContact CE-CD2 3.64Å; L218-L304 HydrophobicContact CD2-CD1 4.47Å; L222-L304 HydrophobicContact CD2-CD1 4.28Å; F300-L304 HydrophobicContact CD1-CD1 4.38Å; F300-L304 HydrophobicContact CD2-CD1 4.46Å; F300-L304 HydrophobicContact CD2-CG 4.48Å; F300-L304 HydrophobicContact CE1-CD1 3.83Å; F300-L304 HydrophobicContact CE2-CD1 3.91Å; F300-L304 HydrophobicContact CE2-CD2 4.27Å; F300-L304 HydrophobicContact CE2-CG 4.06Å; F300-L304 HydrophobicContact CZ-CD1 3.56Å; F300-L304 HydrophobicContact CZ-CD2 4.47Å; F300-L304 HydrophobicContact CZ-CG 4.22Å; F300-L304 PolarHBondContact O-N 3.25Å; L301-L304 PolarHBondContact O-N 3.48Å; L301-L304 VanDerWaalsContact O-N 3.09Å; D302-L304 VanDerWaalsContact C-N 3.34Å; L304-R306 VanDerWaalsContact C-N 3.33Å; L304-R306 PolarHBondContact O-N 3.08Å; L304-R312 WeakPolarHBondContact O-CD 3.47Å; L304-R312 WeakPolarHBondContact O-CG 3.44Å; L304-L313 HydrophobicContact CD2-CB 4.2Å
305L98.9Very high98.7Very high0 Ų029.9 Ų29.90%016%0.157CC..SBendtrans-87.270-174.7-68.1-174.5000111.9W216 A223 F233 L249 W281 L301W216-L305 HydrophobicContact CD2-CD2 3.92Å; W216-L305 HydrophobicContact CE3-CD2 3.9Å; W216-L305 HydrophobicContact CH2-CD2 4.23Å; W216-L305 HydrophobicContact CZ2-CD2 4.25Å; W216-L305 HydrophobicContact CZ3-CB 4.36Å; W216-L305 HydrophobicContact CZ3-CD2 4.07Å; A223-L305 HydrophobicContact CB-CD1 4.23Å; F233-L305 HydrophobicContact CE2-CD1 3.97Å; F233-L305 HydrophobicContact CE2-CD2 4.41Å; F233-L305 HydrophobicContact CZ-CD1 4.27Å; L249-L305 WeakPolarHBondContact CD1-O 3.41Å; L249-L305 WeakPolarHBondContact CD2-O 3.44Å; W281-L305 HydrophobicContact CH2-CB 4.04Å; W281-L305 HydrophobicContact CH2-CD1 3.58Å; W281-L305 HydrophobicContact CH2-CG 4.46Å; W281-L305 HydrophobicContact CZ2-CB 4.03Å; W281-L305 HydrophobicContact CZ2-CD1 4.28Å; W281-L305 HydrophobicContact CZ3-CD1 4.22Å; L301-L305 HydrophobicContact CD1-CD1 3.62Å; L301-L305 HydrophobicContact CD1-CG 3.89Å; L301-L305 HydrophobicContact CD2-CD1 4.5Å; L301-L305 HydrophobicContact CG-CD1 4.08Å; L301-L305 HydrophobicContact CG-CG 4.47Å; L301-L305 PolarHBondContact O-N 3.34Å
306R98.8Very high98.8Very high86 Ų8632 Ų3233%0.32515%0.151SC..  trans-116.5144174.7-58.9-167.2172.8-172.9-6.5111.5D302 L304 R312D302-R306 VanDerWaalsContact O-CG 3.24Å; D302-R306 WeakPolarHBondContact O-CG 3.44Å; D302-R306 PolarHBondContact O-NE 2.81Å; D302-R306 IonicContact OD2-CZ 3.72Å; D302-R306 IonicContact OD2-NE 3.4Å; D302-R306 IonicContact OD2-NH2 3.62Å; D302-R306 PolarHBondContact OD2-NH2 3.04Å; D302-R306 VanDerWaalsContact OD2-NH2 3.13Å; L304-R306 VanDerWaalsContact C-N 3.33Å; L304-R306 PolarHBondContact O-N 3.08Å; R306-R312 HydrophobicContact CB-CG 4.19Å; R306-R312 PolarHBondContact O-NE 2.8Å; R306-R312 PolarHBondContact O-NH2 3.07Å; R306-R312 VanDerWaalsContact O-NH2 3.17Å
307Y98.8Very high98.8Very high7 Ų731.2 Ų31.23%0.02715%0.148CC..SBendtrans-57.7-55.8173.5-74.1-67.3000111.1P200 I245 A246 L249 G250 D253 L254 H309 R312P200-Y307 HydrophobicContact CB-CD1 3.82Å; P200-Y307 HydrophobicContact CB-CE1 4.38Å; P200-Y307 HydrophobicContact CG-CD1 3.71Å; P200-Y307 HydrophobicContact CG-CE1 4.18Å; I245-Y307 HydrophobicContact CG2-CE1 3.7Å; A246-Y307 WeakPolarHBondContact CA-OH 3.28Å; A246-Y307 PolarHBondContact N-OH 3.21Å; L249-Y307 HydrophobicContact CB-CD2 4.19Å; L249-Y307 HydrophobicContact CB-CE2 3.33Å; L249-Y307 HydrophobicContact CD1-CD2 4.31Å; L249-Y307 HydrophobicContact CD1-CE1 4.42Å; L249-Y307 HydrophobicContact CD1-CE2 4.05Å; L249-Y307 HydrophobicContact CG-CE2 4.34Å; G250-Y307 WeakPolarHBondContact O-CE2 3.28Å; G250-Y307 PolarHBondContact O-OH 2.66Å; D253-Y307 HydrophobicContact CB-CD2 3.64Å; D253-Y307 HydrophobicContact CB-CE2 3.93Å; L254-Y307 HydrophobicContact CB-CD1 4.34Å; L254-Y307 HydrophobicContact CB-CD2 4.32Å; L254-Y307 HydrophobicContact CB-CE1 3.95Å; L254-Y307 HydrophobicContact CB-CE2 3.9Å; L254-Y307 HydrophobicContact CD1-CD1 3.79Å; L254-Y307 HydrophobicContact CD1-CE1 3.68Å; L254-Y307 HydrophobicContact CG-CE1 4.26Å; Y307-H309 PolarHBondContact O-N 3.32Å; Y307-R312 PolarHBondContact O-NH2 3.26Å
308D98.7Very high98.8Very high22 Ų2231.2 Ų31.212%0.11815%0.148CC..SBendtrans-65.9106.2177.4-175.913.9000111.3Y257 K260 Y261 Q310 S311Y257-D308 VanDerWaalsContact CD2-CA 3.48Å; Y257-D308 HydrophobicContact CD2-CB 3.99Å; Y257-D308 HydrophobicContact CE2-CB 4.45Å; K260-D308 IonicContact NZ-OD1 3.12Å; K260-D308 IonicContact NZ-OD2 3.22Å; K260-D308 PolarHBondContact NZ-OD2 3.22Å; Y261-D308 WeakPolarHBondContact CE2-OD1 3.13Å; Y261-D308 PolarHBondContact OH-OD1 2.73Å; D308-Q310 PolarHBondContact O-N 2.78Å; D308-Q310 WeakPolarHBondContact OD1-CB 3.47Å; D308-Q310 PolarHBondContact OD1-N 3.32Å; D308-Q310 VanDerWaalsContact OD1-N 3.16Å; D308-S311 WeakPolarHBondContact O-CB 3.23Å; D308-S311 PolarHBondContact O-N 2.87Å; D308-S311 PolarHBondContact OD2-OG 2.97Å
309H98.8Very high98.8Very high1 Ų131.9 Ų31.91%0.00515%0.151CC..G310 helixtrans-61-29.2-179.163.5-91.9000112.2S7 Y206 D210 S212 Y257 Y261 Y307 S311 R312S7-H309 WeakPolarHBondContact CB-NE2 3.1Å; S7-H309 PolarHBondContact OG-NE2 3.43Å; Y206-H309 AromaticContact CE1-CE1 3.57Å; D210-H309 IonicContact OD2-CD2 2.98Å; S212-H309 VanDerWaalsContact CB-O 3.25Å; S212-H309 WeakPolarHBondContact CB-O 3.4Å; S212-H309 WeakPolarHBondContact OG-CB 3.42Å; S212-H309 PolarHBondContact OG-O 2.96Å; Y257-H309 AromaticContact CE2-ND1 3.67Å; Y257-H309 AromaticContact CZ-ND1 3.85Å; Y257-H309 PolarHBondContact OH-ND1 2.82Å; Y257-H309 VanDerWaalsContact OH-ND1 3.11Å; Y261-H309 AromaticContact CE1-CE1 3.73Å; Y261-H309 AromaticContact CE2-CE1 3.99Å; Y261-H309 AromaticContact CZ-CE1 3.55Å; Y307-H309 PolarHBondContact O-N 3.32Å; H309-S311 VanDerWaalsContact C-N 3.28Å; H309-S311 PolarHBondContact O-N 3.28Å; H309-R312 PolarHBondContact O-N 3.5Å
310Q98.4Very high98.8Very high36 Ų3635.3 Ų35.317%0.16817%0.165CC..G310 helixtrans-70.6-22.9174-66.7-63.8-45.500113.1S7 R8 R10 D210 Y261 D308S7-Q310 PolarHBondContact OG-NE2 3.33Å; R8-Q310 PolarHBondContact O-NE2 2.95Å; R8-Q310 PolarHBondContact O-OE1 2.74Å; R10-Q310 WeakPolarHBondContact CD-O 3.49Å; R10-Q310 PolarHBondContact NE-O 2.92Å; D210-Q310 PolarHBondContact OD2-NE2 2.89Å; Y261-Q310 WeakPolarHBondContact OH-CG 3.31Å; D308-Q310 PolarHBondContact O-N 2.78Å; D308-Q310 WeakPolarHBondContact OD1-CB 3.47Å; D308-Q310 PolarHBondContact OD1-N 3.32Å; D308-Q310 VanDerWaalsContact OD1-N 3.16Å
311S98.5Very high98.8Very high58 Ų5835.8 Ų35.841%0.40617%0.167SC..G310 helixtrans-92.4-2.8-178.2-66.40000113.7D308 H309D308-S311 WeakPolarHBondContact O-CB 3.23Å; D308-S311 PolarHBondContact O-N 2.87Å; D308-S311 PolarHBondContact OD2-OG 2.97Å; H309-S311 VanDerWaalsContact C-N 3.28Å; H309-S311 PolarHBondContact O-N 3.28Å
312R98.8Very high98.7Very high2 Ų239.8 Ų39.81%0.00819%0.193CC..SBendtrans-77.2148.8175.6-56.7178.7-167.2145.98.2110.2R10 E201 S212 K303 L304 R306 Y307 H309R10-R312 PolarHBondContact NH2-O 3.49Å; E201-R312 IonicContact OE1-CZ 3Å; E201-R312 IonicContact OE1-NH1 2.86Å; E201-R312 PolarHBondContact OE1-NH1 3.44Å; E201-R312 IonicContact OE1-NH2 3.79Å; E201-R312 IonicContact OE2-CZ 3.36Å; E201-R312 IonicContact OE2-NH1 3.67Å; E201-R312 PolarHBondContact OE2-NH1 2.75Å; E201-R312 IonicContact OE2-NH2 2.89Å; E201-R312 PolarHBondContact OE2-NH2 2.79Å; S212-R312 PolarHBondContact O-NH1 2.97Å; K303-R312 WeakPolarHBondContact O-CA 3.49Å; L304-R312 WeakPolarHBondContact O-CD 3.47Å; L304-R312 WeakPolarHBondContact O-CG 3.44Å; R306-R312 HydrophobicContact CB-CG 4.19Å; R306-R312 PolarHBondContact O-NE 2.8Å; R306-R312 PolarHBondContact O-NH2 3.07Å; R306-R312 VanDerWaalsContact O-NH2 3.17Å; Y307-R312 PolarHBondContact O-NH2 3.26Å; H309-R312 PolarHBondContact O-N 3.5Å
313L98.9Very high98.7Very high31 Ų3138 Ų3816%0.16218%0.184CC..PPolyproline II helixtrans-57.8141.1169.1-62.5169.9000110.6M215 F300 K303 L304 E317 A318M215-L313 WeakPolarHBondContact CG-O 3.44Å; F300-L313 HydrophobicContact CD2-CD1 3.84Å; F300-L313 HydrophobicContact CE2-CD1 3.87Å; K303-L313 HydrophobicContact CB-CD1 3.6Å; K303-L313 HydrophobicContact CB-CD2 4.35Å; K303-L313 HydrophobicContact CB-CG 3.72Å; K303-L313 HydrophobicContact CD-CD1 4.15Å; K303-L313 HydrophobicContact CD-CD2 4.43Å; K303-L313 PolarHBondContact O-N 2.98Å; K303-L313 VanDerWaalsContact O-N 3.1Å; L304-L313 HydrophobicContact CD2-CB 4.2Å; L313-E317 HydrophobicContact CB-CB 4.3Å; L313-E317 HydrophobicContact CD2-CB 3.94Å; L313-A318 HydrophobicContact CB-CB 4.18Å; L313-A318 HydrophobicContact CD1-CB 4.35Å
314T98.9Very high98.7Very high18 Ų1835.2 Ų35.211%0.1117%0.172CC..PPolyproline II helixtrans-70.3163.616262.50000110.1V11 R316 E317 A318V11-T314 HydrophobicContact CB-CG2 4.29Å; V11-T314 HydrophobicContact CG1-CG2 3.84Å; V11-T314 HydrophobicContact CG2-CG2 3.44Å; V11-T314 VanDerWaalsContact CG2-CG2 3.44Å; T314-R316 VanDerWaalsContact C-N 3.25Å; T314-R316 PolarHBondContact O-N 2.8Å; T314-E317 WeakPolarHBondContact CG2-OE2 3.31Å; T314-E317 PolarHBondContact N-OE2 2.83Å; T314-E317 PolarHBondContact O-N 2.96Å; T314-E317 WeakPolarHBondContact OG1-CB 3.26Å; T314-E317 VanDerWaalsContact OG1-CD 3.25Å; T314-E317 WeakPolarHBondContact OG1-CG 3.3Å; T314-E317 PolarHBondContact OG1-N 3.07Å; T314-E317 VanDerWaalsContact OG1-N 3.12Å; T314-E317 PolarHBondContact OG1-OE2 3.24Å; T314-E317 VanDerWaalsContact OG1-OE2 3.06Å; T314-A318 VanDerWaalsContact O-CB 3.24Å; T314-A318 WeakPolarHBondContact O-CB 3.24Å; T314-A318 PolarHBondContact O-N 2.81Å
315A98.9Very high98.6Very high1 Ų142.5 Ų42.51%0.00820%0.2CC..Hα-helixtrans-56.8-41.1175.700000112L141 L144 D145 M215 A318 M319L141-A315 HydrophobicContact CD2-CB 4.24Å; L144-A315 HydrophobicContact CB-CB 4.07Å; D145-A315 HydrophobicContact CB-CB 3.68Å; M215-A315 HydrophobicContact CE-CB 4.38Å; M215-A315 HydrophobicContact SD-CB 3.83Å; A315-A318 WeakPolarHBondContact O-CB 3.44Å; A315-A318 PolarHBondContact O-N 2.88Å; A315-M319 WeakPolarHBondContact O-CG 3.2Å; A315-M319 PolarHBondContact O-N 2.87Å
316R98.7Very high98.5Very high144 Ų14445.1 Ų45.154%0.54322%0.216SC..Hα-helixtrans-64.1-51.3175.7-173.7169179.4163.51.6113.4T314 A318 M319 E320T314-R316 VanDerWaalsContact C-N 3.25Å; T314-R316 PolarHBondContact O-N 2.8Å; R316-A318 PolarHBondContact O-N 2.94Å; R316-M319 PolarHBondContact O-N 2.93Å; R316-M319 VanDerWaalsContact O-N 3.13Å; R316-E320 IonicContact NE-OE1 3.87Å; R316-E320 PolarHBondContact O-N 2.88Å
317E98.8Very high98.4Very high67 Ų6741 Ų4131%0.31320%0.201SC..Hα-helixtrans-59.8-35.4177-69.6161.1164.600111.2R10 L313 T314 E320 H321R10-E317 IonicContact CZ-OE1 3.39Å; R10-E317 IonicContact CZ-OE2 3.03Å; R10-E317 IonicContact NH1-OE1 3.02Å; R10-E317 PolarHBondContact NH1-OE1 3.47Å; R10-E317 IonicContact NH1-OE2 2.89Å; R10-E317 PolarHBondContact NH1-OE2 2.77Å; R10-E317 IonicContact NH2-OE1 3.12Å; R10-E317 IonicContact NH2-OE2 3.64Å; R10-E317 PolarHBondContact NH2-OE2 3.28Å; L313-E317 HydrophobicContact CB-CB 4.3Å; L313-E317 HydrophobicContact CD2-CB 3.94Å; T314-E317 WeakPolarHBondContact CG2-OE2 3.31Å; T314-E317 PolarHBondContact N-OE2 2.83Å; T314-E317 PolarHBondContact O-N 2.96Å; T314-E317 WeakPolarHBondContact OG1-CB 3.26Å; T314-E317 VanDerWaalsContact OG1-CD 3.25Å; T314-E317 WeakPolarHBondContact OG1-CG 3.3Å; T314-E317 PolarHBondContact OG1-N 3.07Å; T314-E317 VanDerWaalsContact OG1-N 3.12Å; T314-E317 PolarHBondContact OG1-OE2 3.24Å; T314-E317 VanDerWaalsContact OG1-OE2 3.06Å; E317-E320 PolarHBondContact O-N 3.47Å; E317-H321 PolarHBondContact O-N 2.86Å
318A98.8Very high98.3Very high0 Ų043.4 Ų43.40%022%0.216CC..Hα-helixtrans-66-39.7175.900000112.7L141 M215 F300 L313 T314 A315 R316 E320 H321 F324L141-A318 HydrophobicContact CD1-CB 3.92Å; L141-A318 HydrophobicContact CD2-CB 3.57Å; L141-A318 HydrophobicContact CG-CB 4.43Å; M215-A318 HydrophobicContact CE-CB 3.89Å; F300-A318 HydrophobicContact CE2-CB 3.59Å; F300-A318 HydrophobicContact CZ-CB 3.96Å; L313-A318 HydrophobicContact CB-CB 4.18Å; L313-A318 HydrophobicContact CD1-CB 4.35Å; T314-A318 VanDerWaalsContact O-CB 3.24Å; T314-A318 WeakPolarHBondContact O-CB 3.24Å; T314-A318 PolarHBondContact O-N 2.81Å; A315-A318 WeakPolarHBondContact O-CB 3.44Å; A315-A318 PolarHBondContact O-N 2.88Å; R316-A318 PolarHBondContact O-N 2.94Å; A318-E320 PolarHBondContact O-N 2.84Å; A318-H321 WeakPolarHBondContact O-CB 3.47Å; A318-H321 PolarHBondContact O-N 2.64Å; A318-H321 VanDerWaalsContact O-N 3.14Å; A318-F324 WeakPolarHBondContact O-CD2 3.15Å; A318-F324 WeakPolarHBondContact O-CE2 3.47Å
319M98.6Very high98.1Very high34 Ų3446.6 Ų46.617%0.16723%0.229CC..Hα-helixtrans-64-29.9175.1-71.1174.86400112.5Y138 L141 K142 D145 A315 R316 H321Y138-M319 HydrophobicContact CD2-CB 4.38Å; Y138-M319 HydrophobicContact CD2-CG 4.25Å; Y138-M319 HydrophobicContact CE1-CE 4.2Å; Y138-M319 HydrophobicContact CE2-CB 3.7Å; Y138-M319 HydrophobicContact CE2-CE 4Å; Y138-M319 HydrophobicContact CE2-CG 3.92Å; Y138-M319 WeakPolarHBondContact CE2-O 3.43Å; Y138-M319 WeakPolarHBondContact OH-CE 3.35Å; L141-M319 HydrophobicContact CB-CG 3.52Å; L141-M319 HydrophobicContact CB-SD 4.09Å; L141-M319 HydrophobicContact CD1-CG 4.04Å; L141-M319 HydrophobicContact CG-CG 4.31Å; K142-M319 HydrophobicContact CG-CE 3.59Å; K142-M319 HydrophobicContact CG-SD 4.27Å; D145-M319 HydrophobicContact CB-SD 4.28Å; A315-M319 WeakPolarHBondContact O-CG 3.2Å; A315-M319 PolarHBondContact O-N 2.87Å; R316-M319 PolarHBondContact O-N 2.93Å; R316-M319 VanDerWaalsContact O-N 3.13Å; M319-H321 PolarHBondContact O-N 3.46Å
320E98.4Very high97.9Very high138 Ų13848.8 Ų48.865%0.64524%0.241SC*.THydrogen-bonded Turntrans-80.9-2.8177.8-65.5171.4-174.800112.8R316 E317 A318R316-E320 IonicContact NE-OE1 3.87Å; R316-E320 PolarHBondContact O-N 2.88Å; E317-E320 PolarHBondContact O-N 3.47Å; A318-E320 PolarHBondContact O-N 2.84Å
321H98.8Very high97.6Very high10 Ų1049.5 Ų49.55%0.04624%0.244CC..SBendtrans-67.9139.4-177.9-161.9-92.2000112.6E296 D299 F300 K303 E317 A318 M319 Y323 F324E296-H321 PolarHBondContact O-CE1 2.82Å; D299-H321 IonicContact OD2-CE1 3.78Å; D299-H321 PolarHBondContact OD2-CE1 2.84Å; D299-H321 VanDerWaalsContact OD2-CE1 3.29Å; D299-H321 IonicContact OD2-NE2 2.85Å; D299-H321 PolarHBondContact OD2-NE2 3.11Å; F300-H321 HydrophobicContact CD2-CB 4.01Å; F300-H321 AromaticContact CD2-CG 3.72Å; F300-H321 AromaticContact CD2-ND1 3.96Å; F300-H321 HydrophobicContact CE2-CB 4.39Å; F300-H321 AromaticContact CG-ND1 3.97Å; F300-H321 PolarHBondContact N-CE1 2.81Å; K303-H321 PolarHBondContact NZ-NE2 2.79Å; E317-H321 PolarHBondContact O-N 2.86Å; A318-H321 WeakPolarHBondContact O-CB 3.47Å; A318-H321 PolarHBondContact O-N 2.64Å; A318-H321 VanDerWaalsContact O-N 3.14Å; M319-H321 PolarHBondContact O-N 3.46Å; H321-Y323 WeakPolarHBondContact ND1-CB 3.48Å; H321-Y323 PolarHBondContact ND1-N 3.43Å; H321-Y323 PolarHBondContact O-N 3.01Å; H321-F324 HydrophobicContact CB-CD2 4.25Å; H321-F324 PolarHBondContact O-N 3.28Å
322P98.5Very high97.1Very high84 Ų8449.9 Ų49.955%0.54525%0.251SS..G310 helixtrans-53.4-25.3179.4-30.136.1000115.6E296 F324 Y325E296-P322 HydrophobicContact CG-CB 4.33Å; P322-F324 PolarHBondContact O-N 2.85Å; P322-F324 VanDerWaalsContact O-N 3.15Å; P322-Y325 VanDerWaalsContact O-CB 3.32Å; P322-Y325 WeakPolarHBondContact O-CB 3.22Å; P322-Y325 PolarHBondContact O-N 2.77Å; P322-Y325 VanDerWaalsContact O-N 3.1Å
323Y98.6Very high96.6Very high0 Ų056.5 Ų56.50%028%0.276CS..G310 helixtrans-53.5-32.8175.2-176.6-120.6000113R134 L222 E296 A297 F300 H321R134-Y323 HydrophobicContact CB-CE1 4.44Å; R134-Y323 WeakPolarHBondContact CD-O 3.47Å; R134-Y323 HydrophobicContact CG-CD1 4.18Å; R134-Y323 HydrophobicContact CG-CD2 4.24Å; R134-Y323 HydrophobicContact CG-CE1 3.64Å; R134-Y323 HydrophobicContact CG-CE2 3.67Å; R134-Y323 HydrophobicContact CG-CG 4.47Å; R134-Y323 PolarHBondContact NH1-O 3.43Å; L222-Y323 HydrophobicContact CD1-CE1 4.19Å; E296-Y323 HydrophobicContact CB-CD2 4.19Å; A297-Y323 HydrophobicContact CB-CD2 3.89Å; A297-Y323 HydrophobicContact CB-CE2 3.45Å; A297-Y323 VanDerWaalsContact CB-CE2 3.45Å; F300-Y323 HydrophobicContact CB-CG 4.46Å; F300-Y323 AromaticContact CD1-CD1 3.62Å; F300-Y323 HydrophobicContact CD1-CD1 3.62Å; F300-Y323 HydrophobicContact CD1-CE1 4.14Å; F300-Y323 HydrophobicContact CD1-CG 4.33Å; F300-Y323 HydrophobicContact CE1-CD1 4.2Å; F300-Y323 HydrophobicContact CG-CD1 4.31Å; H321-Y323 WeakPolarHBondContact ND1-CB 3.48Å; H321-Y323 PolarHBondContact ND1-N 3.43Å; H321-Y323 PolarHBondContact O-N 3.01Å
324F98.6Very high95.8Very high1 Ų161.1 Ų61.10%0.00430%0.298CS..G310 helixtrans-96.11.3-178.2-59.4-67.7000114.7R134 M137 Y138 L141 F300 A318 H321 P322 T326 V327 V328R134-F324 HydrophobicContact CB-CD1 4.37Å; R134-F324 WeakPolarHBondContact O-CD1 3.42Å; R134-F324 VanDerWaalsContact O-CE1 3.24Å; R134-F324 WeakPolarHBondContact O-CE1 3.5Å; M137-F324 HydrophobicContact CB-CE1 3.85Å; M137-F324 HydrophobicContact CB-CZ 4.08Å; Y138-F324 HydrophobicContact CD2-CB 3.72Å; Y138-F324 AromaticContact CD2-CD1 3.86Å; Y138-F324 HydrophobicContact CD2-CD1 3.86Å; Y138-F324 HydrophobicContact CD2-CD2 4.16Å; Y138-F324 AromaticContact CD2-CG 3.65Å; Y138-F324 HydrophobicContact CD2-CG 3.65Å; Y138-F324 HydrophobicContact CE2-CB 4.14Å; Y138-F324 HydrophobicContact CE2-CG 4.42Å; Y138-F324 HydrophobicContact CG-CD1 4.25Å; Y138-F324 HydrophobicContact CG-CG 4.46Å; L141-F324 HydrophobicContact CD1-CD2 4.34Å; L141-F324 HydrophobicContact CD1-CE1 4.41Å; L141-F324 HydrophobicContact CD1-CE2 3.47Å; L141-F324 VanDerWaalsContact CD1-CE2 3.47Å; L141-F324 HydrophobicContact CD1-CZ 3.51Å; F300-F324 HydrophobicContact CD1-CE2 4.2Å; F300-F324 HydrophobicContact CD1-CZ 4.17Å; F300-F324 AromaticContact CE1-CE2 3.62Å; F300-F324 HydrophobicContact CE1-CE2 3.62Å; F300-F324 AromaticContact CE1-CZ 3.43Å; F300-F324 HydrophobicContact CE1-CZ 3.43Å; F300-F324 VanDerWaalsContact CE1-CZ 3.43Å; F300-F324 AromaticContact CE2-CE2 3.98Å; F300-F324 HydrophobicContact CE2-CE2 3.98Å; F300-F324 AromaticContact CZ-CE2 3.5Å; F300-F324 HydrophobicContact CZ-CE2 3.5Å; F300-F324 VanDerWaalsContact CZ-CE2 3.5Å; F300-F324 AromaticContact CZ-CZ 3.69Å; F300-F324 HydrophobicContact CZ-CZ 3.69Å; A318-F324 WeakPolarHBondContact O-CD2 3.15Å; A318-F324 WeakPolarHBondContact O-CE2 3.47Å; H321-F324 HydrophobicContact CB-CD2 4.25Å; H321-F324 PolarHBondContact O-N 3.28Å; P322-F324 PolarHBondContact O-N 2.85Å; P322-F324 VanDerWaalsContact O-N 3.15Å; F324-T326 PolarHBondContact O-N 3.36Å; F324-T326 VanDerWaalsContact O-N 3.11Å; F324-V327 WeakPolarHBondContact O-CB 3.44Å; F324-V327 PolarHBondContact O-N 3.35Å; F324-V328 HydrophobicContact CB-CG2 4.49Å; F324-V328 WeakPolarHBondContact O-CG2 2.96Å; F324-V328 PolarHBondContact O-N 2.92Å
325Y97.1Very high94.6Very high152 Ų15262.6 Ų62.660%0.59632%0.317SS*.Hα-helixtrans-51.5-41.3-174.9172.6-109.4000113.4P322 K329P322-Y325 VanDerWaalsContact O-CB 3.32Å; P322-Y325 WeakPolarHBondContact O-CB 3.22Å; P322-Y325 PolarHBondContact O-N 2.77Å; P322-Y325 VanDerWaalsContact O-N 3.1Å; Y325-K329 HydrophobicContact CE1-CD 4.42Å; Y325-K329 VanDerWaalsContact O-CB 3.3Å; Y325-K329 WeakPolarHBondContact O-CB 3.21Å; Y325-K329 PolarHBondContact O-N 3.35Å
326T96.1Very high93Very high55 Ų5566.7 Ų66.734%0.33735%0.345SS..Hα-helixtrans-64.4-44.6177.950.10000112.3F324 K329 D330F324-T326 PolarHBondContact O-N 3.36Å; F324-T326 VanDerWaalsContact O-N 3.11Å; T326-K329 PolarHBondContact O-N 2.82Å; T326-D330 PolarHBondContact O-N 2.89Å
327V97.1Very high91.1Very high0 Ų064.2 Ų64.20%035%0.35CS..Hα-helixtrans-61.8-47.6177.5178.10000110.8Y131 R134 F135 Y138 F324 K329 D330 Q331Y131-V327 HydrophobicContact CE2-CG2 4.11Å; R134-V327 HydrophobicContact CB-CG2 3.67Å; F135-V327 HydrophobicContact CB-CG2 4.34Å; F135-V327 HydrophobicContact CD2-CG1 4.14Å; Y138-V327 HydrophobicContact CD1-CG1 3.87Å; Y138-V327 HydrophobicContact CG-CG1 4.06Å; F324-V327 WeakPolarHBondContact O-CB 3.44Å; F324-V327 PolarHBondContact O-N 3.35Å; V327-K329 VanDerWaalsContact C-N 3.33Å; V327-K329 PolarHBondContact O-N 3.31Å; V327-D330 PolarHBondContact O-N 2.86Å; V327-Q331 HydrophobicContact CG1-CG 4.37Å; V327-Q331 WeakPolarHBondContact O-CB 3.48Å; V327-Q331 WeakPolarHBondContact O-CG 3.13Å; V327-Q331 PolarHBondContact O-N 2.98Å
328V96.3Very high88.9Confident58 Ų5865.3 Ų65.335%0.35237%0.365SS..Hα-helixtrans-60.4-45179.3176.80000110.8Y138 F324 D330 Q331 A332Y138-V328 HydrophobicContact CE1-CG2 4.41Å; Y138-V328 HydrophobicContact CE2-CG2 3.78Å; F324-V328 HydrophobicContact CB-CG2 4.49Å; F324-V328 WeakPolarHBondContact O-CG2 2.96Å; F324-V328 PolarHBondContact O-N 2.92Å; V328-D330 PolarHBondContact O-N 2.97Å; V328-Q331 PolarHBondContact O-N 2.88Å; V328-A332 WeakPolarHBondContact O-CB 3.5Å; V328-A332 PolarHBondContact O-N 3.15Å
329K95.1Very high86.1Confident88 Ų8872.7 Ų72.738%0.38340%0.402SS..Hα-helixtrans-61.6-42.4178.3-175.7178.4-179.8179.70112.4Y325 T326 V327 R333Y325-K329 HydrophobicContact CE1-CD 4.42Å; Y325-K329 VanDerWaalsContact O-CB 3.3Å; Y325-K329 WeakPolarHBondContact O-CB 3.21Å; Y325-K329 PolarHBondContact O-N 3.35Å; T326-K329 PolarHBondContact O-N 2.82Å; V327-K329 VanDerWaalsContact C-N 3.33Å; V327-K329 PolarHBondContact O-N 3.31Å; K329-R333 WeakPolarHBondContact O-CG 3.46Å; K329-R333 PolarHBondContact O-N 3.29Å
330D93.8Very high83.4Confident48 Ų4877.3 Ų77.326%0.25743%0.434SS..Hα-helixtrans-74.2-37.4-178.6-70.7-20.5000112.1T326 V327 V328 R333 M334T326-D330 PolarHBondContact O-N 2.89Å; V327-D330 PolarHBondContact O-N 2.86Å; V328-D330 PolarHBondContact O-N 2.97Å; D330-R333 PolarHBondContact O-N 3.27Å; D330-R333 IonicContact OD1-NH1 3.45Å; D330-R333 PolarHBondContact OD1-NH1 2.69Å; D330-M334 WeakPolarHBondContact O-CG 3.34Å; D330-M334 PolarHBondContact O-N 3.23Å; D330-M334 VanDerWaalsContact O-N 3.13Å
331Q91.4Very high80.6Confident50 Ų5074.4 Ų74.423%0.23444%0.441CS..Hα-helixtrans-63.8-40.2173-71.2-173.63.700112.3E139 V327 V328 R333 M334 G335E139-Q331 PolarHBondContact OE1-NE2 3.05Å; V327-Q331 HydrophobicContact CG1-CG 4.37Å; V327-Q331 WeakPolarHBondContact O-CB 3.48Å; V327-Q331 WeakPolarHBondContact O-CG 3.13Å; V327-Q331 PolarHBondContact O-N 2.98Å; V328-Q331 PolarHBondContact O-N 2.88Å; Q331-R333 VanDerWaalsContact C-N 3.31Å; Q331-R333 PolarHBondContact O-N 3.25Å; Q331-M334 PolarHBondContact O-N 2.96Å; Q331-G335 PolarHBondContact O-N 2.84Å
332A89.8Confident77.8Confident67 Ų6777.1 Ų77.155%0.55447%0.471SS*.Hα-helixtrans-62.3-38.2176.100000112.4V328 S336V328-A332 WeakPolarHBondContact O-CB 3.5Å; V328-A332 PolarHBondContact O-N 3.15Å; A332-S336 PolarHBondContact O-N 3.27Å
333R88.2Confident74.9Confident141 Ų14178.7 Ų78.753%0.53249%0.485SS..Hα-helixtrans-64.2-47.5175.7-73.3166.3168.6-176.3-12.5111.7K329 D330 Q331 G335 S336 S337K329-R333 WeakPolarHBondContact O-CG 3.46Å; K329-R333 PolarHBondContact O-N 3.29Å; D330-R333 PolarHBondContact O-N 3.27Å; D330-R333 IonicContact OD1-NH1 3.45Å; D330-R333 PolarHBondContact OD1-NH1 2.69Å; Q331-R333 VanDerWaalsContact C-N 3.31Å; Q331-R333 PolarHBondContact O-N 3.25Å; R333-G335 VanDerWaalsContact C-N 3.32Å; R333-G335 PolarHBondContact O-N 2.92Å; R333-S336 PolarHBondContact O-N 2.95Å; R333-S336 VanDerWaalsContact O-N 3.15Å; R333-S336 PolarHBondContact O-OG 3.39Å; R333-S337 PolarHBondContact O-N 2.73Å; R333-S337 PolarHBondContact O-OG 2.88Å
334M81.9Confident72.2Confident127 Ų12785.1 Ų85.163%0.62652%0.524SS*.Hα-helixtrans-62.3-38179.1-66.2-179.7-160.700112.5D330 Q331 S336 S337D330-M334 WeakPolarHBondContact O-CG 3.34Å; D330-M334 PolarHBondContact O-N 3.23Å; D330-M334 VanDerWaalsContact O-N 3.13Å; Q331-M334 PolarHBondContact O-N 2.96Å; M334-S336 VanDerWaalsContact C-N 3.31Å; M334-S336 PolarHBondContact O-N 2.9Å; M334-S337 PolarHBondContact O-N 3.26Å; M334-S337 PolarHBondContact O-OG 3.19Å
335G73.7Confident69.5Low49 Ų4991 Ų9151%0.50556%0.562SS.*Hα-helixtrans-68.8-25.2175.900000114.4Q331 R333 S338Q331-G335 PolarHBondContact O-N 2.84Å; R333-G335 VanDerWaalsContact C-N 3.32Å; R333-G335 PolarHBondContact O-N 2.92Å; G335-S338 PolarHBondContact O-OG 3.48Å; G335-S338 VanDerWaalsContact O-OG 3.13Å
336S65.2Low67.1Low87 Ų8790.5 Ų90.561%0.60858%0.575SS**Hα-helixtrans-82.1-27.3176.368.20000113.7A332 R333 M334 S338A332-S336 PolarHBondContact O-N 3.27Å; R333-S336 PolarHBondContact O-N 2.95Å; R333-S336 VanDerWaalsContact O-N 3.15Å; R333-S336 PolarHBondContact O-OG 3.39Å; M334-S336 VanDerWaalsContact C-N 3.31Å; M334-S336 PolarHBondContact O-N 2.9Å; S336-S338 VanDerWaalsContact C-N 3.33Å; S336-S338 PolarHBondContact O-N 3.4Å
337S59.2Low64.4Low92 Ų9292.8 Ų92.864%0.64359%0.593SS**THydrogen-bonded Turntrans-78.7-8.9-179.546.40000115R333 M334 M339R333-S337 PolarHBondContact O-N 2.73Å; R333-S337 PolarHBondContact O-OG 2.88Å; M334-S337 PolarHBondContact O-N 3.26Å; M334-S337 PolarHBondContact O-OG 3.19Å; S337-M339 VanDerWaalsContact C-N 3.31Å; S337-M339 PolarHBondContact O-N 3.18Å
338S51.6Low61.6Low90 Ų9098.4 Ų98.463%0.62963%0.632SS**THydrogen-bonded Turntrans-87.110.6178.751.40000114.6G335 S336G335-S338 PolarHBondContact O-OG 3.48Å; G335-S338 VanDerWaalsContact O-OG 3.13Å; S336-S338 VanDerWaalsContact C-N 3.33Å; S336-S338 PolarHBondContact O-N 3.4Å
339M39.6Very low58.9Low156 Ų15699.9 Ų99.977%0.76865%0.65SS**SBendtrans-109.2112.4169.8-73.4-73.6-84.500110.4S337 G341S337-M339 VanDerWaalsContact C-N 3.31Å; S337-M339 PolarHBondContact O-N 3.18Å; M339-G341 PolarHBondContact O-N 2.68Å
340P42.6Very low56.3Low131 Ų131103 Ų10385%0.85167%0.671SS**  trans-72103.6170.1-3.318.7000109
341G40.4Very low53.8Low76 Ų76109 Ų10978%0.78470%0.7SS**  trans-62.4132.1166.900000110.8M339M339-G341 PolarHBondContact O-N 2.68Å
342G38.3Very low51.4Low67 Ų67114.8 Ų114.869%0.69173%0.729SS**  trans-66.6149-179.900000114.7
343S39.1Very low49.1Very low118 Ų118117 Ų11783%0.82574%0.74SS**  trans45.3102.6144.642.50000119.1
344T41.7Very low46.7Very low135 Ų135113.5 Ų113.583%0.82875%0.748SS**  trans-105.7129.1145.244.60000109.2
345P41.9Very low45Very low123 Ų123115.1 Ų115.180%0.79976%0.758SS**PPolyproline II helixtrans-90.8129.2174.632.3-27.2000110.5
346V45.6Very low43.4Very low142 Ų142117.8 Ų117.886%0.86177%0.769SS**PPolyproline II helixtrans-94.5116.7167.1177.80000108.3
347S39.8Very low42.4Very low104 Ų104119.4 Ų119.473%0.72778%0.78SS**PPolyproline II helixtrans-76139.1167.8-67.80000110.4
348S39Very low41.6Very low117 Ų117121.5 Ų121.582%0.81879%0.789SS**  170.2131.4118.4-72.10000113
349A38.3Very low41.2Very low89 Ų89121.9 Ų121.974%0.73679%0.789SS**  trans71.6102.7151.900000119.9
350N40.9Very low41.5Very low154 Ų154120.8 Ų120.882%0.82479%0.791SS**  -166.1119.4118.5-96.4-21.6000112.7
351M41.7Very low41.5Very low174 Ų174120.2 Ų120.286%0.85779%0.788SS**  trans37.7141.2142.8-55.5-161.8177.700123.5
352M42Very low41.8Very low172 Ų172122.4 Ų122.485%0.84779%0.791SS**  trans100.294.4154.8-64.7175.785.300119.1
353S40.4Very low41.9Very low113 Ų113125.3 Ų125.379%0.7980%0.797SS**  43.9123.8128.662.20000121
354G38.4Very low42.2Very low68 Ų68128.4 Ų128.470%0.70180%0.804SS**  trans141.782.6141.400000118.4
355I44.9Very low42.2Very low161 Ų161125.3 Ų125.383%0.82680%0.799SS**  trans58.9104.3130-51.4164.8000119
356S41.1Very low42.2Very low105 Ų105125.9 Ų125.973%0.73480%0.802SS**  76.3135.7129.9-540000124.3
357S43.5Very low42.1Very low121 Ų121127.9 Ų127.985%0.84681%0.807SS**  trans100.5113.1147.171.80000119.7
358V43.6Very low42.2Very low136 Ų136127.8 Ų127.882%0.82481%0.813SS**  trans-100.7176.8166.8-172.20000105.4
359P43.6Very low42.2Very low98 Ų98125.5 Ų125.564%0.63681%0.808SS**  cis-133.2-179.2-16.417.48.8000114.6
360T45.1Very low42.4Very low132 Ų132127.2 Ų127.281%0.8181%0.814SS**  132.8133.2127.6510000115.6
361P41.9Very low42.6Very low120 Ų120125.3 Ų125.378%0.77981%0.811SS**  trans-103.7164.7-179.639.5-31.7000113.5
362S46.3Very low42.3Very low121 Ų121123.2 Ų123.285%0.84681%0.807SS**  trans-152.3138.9163.7-71.60000110.7
363P42.3Very low42.3Very low128 Ų128123.2 Ų123.283%0.83181%0.809SS**  trans-99.7153.4179.637.6-30.2000112.6
364L44.8Very low42Very low184 Ų184122.4 Ų122.496%0.96381%0.809SS**  trans-140.5144.4171.1-93.6159.8000110.3
365G41.7Very low42.1Very low70 Ų70124.2 Ų124.272%0.72282%0.817SS**  trans-85.6-167.8-159.600000117.8
366P41Very low41.8Very low134 Ų134121.4 Ų121.487%0.8782%0.818SS**  trans-95.2159.5-165.737.5-32.8000114.2
367L43.4Very low41.5Very low185 Ų185124 Ų12497%0.96982%0.823SS**  trans-119.1150.4179.2-91.6161.9000112.8
368A42Very low41.6Very low102 Ų102123.3 Ų123.384%0.84382%0.816SS**  trans-104.4177.6-162.300000115
369G40.3Very low41.4Very low69 Ų69125.3 Ų125.371%0.71182%0.822SS**  trans123.1132.5159.200000113.1
370S41.5Very low41.3Very low124 Ų124123.9 Ų123.987%0.86782%0.824SS**  cis-167.6171.316.7-82.20000111.1
371P45.3Very low41.1Very low115 Ų115126.5 Ų126.575%0.74783%0.83SS**  trans-117.2167.4-16130.8-11.7000118
372V36.1Very low41.4Very low130 Ų130126.1 Ų126.179%0.78883%0.827SS**  trans50.2126140.1-178.20000122.3
373I41.7Very low41.4Very low172 Ų172127.2 Ų127.288%0.88283%0.828SS**  trans-141.8129.5141.2-62.3-175.5000110.2
374A33.3Very low41.5Very low95 Ų95126.4 Ų126.479%0.78582%0.823SS**  trans-127.6144.7164.800000108.6
375A40.5Very low41.2Very low106 Ų106122.5 Ų122.588%0.87682%0.817SS**  trans-148.7144.8169.300000111.4
376A38.2Very low41.6Very low102 Ų102124.2 Ų124.284%0.84382%0.824SS**  trans-94.8161.7-163.200000114.8
377N35.2Very low41.6Very low159 Ų159123.1 Ų123.185%0.8583%0.827SS**  trans-56.8160.5163-104.6-6.5000112.9
378P45.7Very low41.8Very low108 Ų108118.3 Ų118.370%0.70182%0.822SS**  -156.9156.697.337.5-16.7000118.9
379L40.3Very low42Very low178 Ų178117.8 Ų117.893%0.93282%0.818SS**  trans53.9132.6135.4-67.4160.8000123.2
380G40.7Very low42.2Very low67 Ų67123.3 Ų123.369%0.69183%0.825SS**  trans156.476.7156.200000114
381M41.5Very low42.9Very low188 Ų188130.4 Ų130.493%0.92684%0.844SS**  78.2134.8111-75-77-163.200117.6
382P47.1Very low42.8Very low112 Ų112131.2 Ų131.273%0.72785%0.849SS**  trans-108179.3-17340.9-29.3000113.8
383V46.5Very low43.2Very low144 Ų144131.2 Ų131.287%0.87385%0.852SS**  trans175.7153.8147.9147.50000111.3
384P43.8Very low43.2Very low111 Ų111128.9 Ų128.972%0.72185%0.851SS**  trans-122.5178.7-139.343.1-30.3000117.6
385A39.5Very low43.8Very low101 Ų101130.9 Ų130.984%0.83586%0.855SS**  trans37.6124.5144.700000122
386A49.2Very low44Very low106 Ų106132.5 Ų132.588%0.87685%0.853SS**  trans-145.2131.214600000110.7
387A41.3Very low44.4Very low111 Ų111134.5 Ų134.592%0.91785%0.854SS**  trans-81.4156.2177.100000111.9
388G48.8Very low45.1Very low85 Ų85132.8 Ų132.888%0.87685%0.854SS**  trans-159.5111.8166.900000109.7
389A44.5Very low45Very low90 Ų90134.7 Ų134.774%0.74487%0.866SS**  trans-103.5168.2-174.400000111.9
390Q46.4Very low45.4Very low186 Ų186131.1 Ų131.187%0.86986%0.86SS**  trans76.8101.5157.7-59.9178.8-12.600117.9
391Q55.7Low45.8Very low272 Ų272136.9 Ų136.9100%1.27188%0.876SS**  -163.8090.2-94.8-176.5900110.3

Retrieved 391 of 391 residues in 724 ms (Link to these results)

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