A0A5K4FBY3_SCHMA Loading...

tRNA:m(4)X modification enzyme TRM13

tRNA methylase which 2'-O-methylates cytidine(4) in tRNA(Pro) and tRNA(Gly)(GCC), and adenosine(4) in tRNA(His).

AlphaFold DB , UniProt , Accession A0A5K4FBY3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 479 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
1M35.7Very low75Confident240 Ų240100.3 Ų100.3100%1.18252%0.522SS*.  01080-70.5174.9-177.300107C3M1-C3 PolarHBondContact O-N 3.45Å
2A45Very low76.2Confident96 Ų96103 Ų10379%0.79354%0.538SS*.  trans-62.6122.9171.600000107.2E4A2-E4 PolarHBondContact O-N 3.01Å
3C49.6Very low76.8Confident114 Ų114109.9 Ų109.977%0.7757%0.566SS**  trans-50.2111.3170.2-97.10000107.6M1 E5M1-C3 PolarHBondContact O-N 3.45Å; C3-E5 VanDerWaalsContact C-N 3.27Å; C3-E5 PolarHBondContact O-N 3.36Å
4E63.4Low77.3Confident151 Ų151111.3 Ų111.371%0.70657%0.566SS**  trans-67.495.3171.1-69.3-174.4161.600107.3A2 R6 L21A2-E4 PolarHBondContact O-N 3.01Å; E4-R6 PolarHBondContact O-N 3.25Å; E4-L21 HydrophobicContact CB-CD2 3.71Å
5E82.7Confident78Confident101 Ų101112.5 Ų112.547%0.47257%0.574SS.*PPolyproline II helixtrans-66.1129.1-171.2-76-178.6-120.100111.1C3 R22C3-E5 VanDerWaalsContact C-N 3.27Å; C3-E5 PolarHBondContact O-N 3.36Å; E5-R22 HydrophobicContact CB-CG 4.48Å; E5-R22 VanDerWaalsContact CB-CZ 3.45Å; E5-R22 VanDerWaalsContact CB-NE 3.27Å; E5-R22 VanDerWaalsContact O-CG 3.28Å; E5-R22 WeakPolarHBondContact O-CG 3.38Å; E5-R22 PolarHBondContact O-N 3.04Å; E5-R22 IonicContact OE1-CZ 2.81Å; E5-R22 IonicContact OE1-NH1 2.93Å; E5-R22 IonicContact OE1-NH2 3.56Å; E5-R22 PolarHBondContact OE1-NH2 3.38Å; E5-R22 IonicContact OE2-CZ 3.55Å; E5-R22 IonicContact OE2-NE 2.77Å; E5-R22 IonicContact OE2-NH1 3.97Å; E5-R22 PolarHBondContact OE2-NH1 3Å; E5-R22 IonicContact OE2-NH2 3.5Å; E5-R22 PolarHBondContact OE2-NH2 3.15Å
6R89.2Confident78.8Confident172 Ų172110.9 Ų110.965%0.64956%0.562SS**BIsolated β-bridgetrans-78.3159.6-177.6-64.7-178.3-179.7-179.32.3111.1E4 G8E4-R6 PolarHBondContact O-N 3.25Å; R6-G8 PolarHBondContact O-N 3.41Å
7C93.3Very high79.5Confident2 Ų2112.9 Ų112.91%0.01456%0.562CS.*PPolyproline II helixtrans-60.8126.8174.5172.70000112.2Y9 C18 Q20 C29C7-Y9 PolarHBondContact O-N 3.33Å; C7-Y9 VanDerWaalsContact O-N 3.16Å; C7-Y9 WeakPolarHBondContact SG-CB 3.44Å; C7-Y9 PolarHBondContact SG-N 2.83Å; C7-Y9 VanDerWaalsContact SG-N 3.38Å; C7-C18 HydrophobicContact CB-CB 3.86Å; C7-Q20 VanDerWaalsContact CB-O 3.3Å; C7-Q20 WeakPolarHBondContact CB-O 3.43Å; C7-Q20 PolarHBondContact N-O 3.33Å; C7-C29 HydrophobicContact CB-CB 3.71Å; C7-C29 PolarHBondContact SG-N 3.07Å; C7-C29 VanDerWaalsContact SG-SG 3.62Å
8G90.5Very high80.1Confident32 Ų32107.1 Ų107.133%0.3353%0.534SS..  trans-75.39.6177.400000115.3R6 F10 Y17 D27 R28R6-G8 PolarHBondContact O-N 3.41Å; G8-F10 PolarHBondContact O-N 2.94Å; G8-Y17 WeakPolarHBondContact O-CE1 3.35Å; G8-D27 PolarHBondContact N-O 3.08Å; G8-R28 PolarHBondContact O-NH1 3.23Å
9Y92.9Very high80.6Confident95 Ų95111 Ų11137%0.37354%0.542SS..  trans-76.6121.1176.7-173.1-92.8000112C7 M11 Y17 C18 H32C7-Y9 PolarHBondContact O-N 3.33Å; C7-Y9 VanDerWaalsContact O-N 3.16Å; C7-Y9 WeakPolarHBondContact SG-CB 3.44Å; C7-Y9 PolarHBondContact SG-N 2.83Å; C7-Y9 VanDerWaalsContact SG-N 3.38Å; Y9-M11 HydrophobicContact CD1-CG 3.88Å; Y9-M11 HydrophobicContact CE1-CG 3.93Å; Y9-Y17 CarbonylContact O-C 3.45Å; Y9-Y17 WeakPolarHBondContact O-CA 3.27Å; Y9-C18 WeakPolarHBondContact O-CB 3.33Å; Y9-C18 PolarHBondContact O-N 3.14Å; Y9-H32 WeakPolarHBondContact CB-ND1 3.38Å; Y9-H32 HydrophobicContact CD1-CB 4.41Å; Y9-H32 AromaticContact CD1-CD2 3.35Å; Y9-H32 WeakPolarHBondContact CD1-CD2 3.28Å; Y9-H32 AromaticContact CD1-CE1 3.39Å; Y9-H32 WeakPolarHBondContact CD1-CE1 3.27Å; Y9-H32 AromaticContact CD1-CG 3.55Å; Y9-H32 AromaticContact CD1-ND1 3.57Å; Y9-H32 AromaticContact CD1-NE2 3.28Å; Y9-H32 VanDerWaalsContact CD1-NE2 3.28Å; Y9-H32 WeakPolarHBondContact CD1-NE2 3.38Å; Y9-H32 HydrophobicContact CD2-CB 3.93Å; Y9-H32 AromaticContact CD2-CG 3.93Å; Y9-H32 AromaticContact CE1-CD2 3.53Å; Y9-H32 AromaticContact CE1-NE2 3.46Å; Y9-H32 WeakPolarHBondContact CE1-NE2 3.44Å; Y9-H32 HydrophobicContact CG-CB 3.77Å; Y9-H32 AromaticContact CG-CD2 3.6Å; Y9-H32 AromaticContact CG-CE1 3.95Å; Y9-H32 AromaticContact CG-CG 3.39Å; Y9-H32 AromaticContact CG-ND1 3.63Å; Y9-H32 AromaticContact CG-NE2 3.98Å; Y9-H32 AromaticContact CZ-CD2 3.96Å
10F92.5Very high81.1Confident67 Ų67110.1 Ų110.129%0.29454%0.536SS..EExtended strand (participates in β ladder)trans-88.4117.8175.5-166.5-98.4000110.1G8 N12 N15 Y17G8-F10 PolarHBondContact O-N 2.94Å; F10-N12 VanDerWaalsContact CD1-OD1 3.3Å; F10-N12 WeakPolarHBondContact CD1-OD1 3.38Å; F10-N12 PolarHBondContact O-N 3.49Å; F10-N15 WeakPolarHBondContact CZ-OD1 3.37Å; F10-Y17 HydrophobicContact CB-CD1 4.08Å; F10-Y17 HydrophobicContact CB-CE1 3.9Å; F10-Y17 HydrophobicContact CD2-CD1 4.01Å; F10-Y17 AromaticContact CD2-CD2 3.79Å; F10-Y17 HydrophobicContact CD2-CD2 3.79Å; F10-Y17 AromaticContact CD2-CE1 3.92Å; F10-Y17 HydrophobicContact CD2-CE1 3.92Å; F10-Y17 AromaticContact CD2-CE2 3.67Å; F10-Y17 HydrophobicContact CD2-CE2 3.67Å; F10-Y17 AromaticContact CD2-CG 3.95Å; F10-Y17 HydrophobicContact CD2-CG 3.95Å; F10-Y17 AromaticContact CD2-CZ 3.74Å; F10-Y17 HydrophobicContact CE2-CD2 4.24Å; F10-Y17 HydrophobicContact CE2-CE2 4.12Å; F10-Y17 HydrophobicContact CG-CE1 4.4Å
11M90.1Very high81.5Confident33 Ų33109.3 Ų109.316%0.16353%0.534CS..EExtended strand (participates in β ladder)trans-86.594.8177.7-63173-65.400108.7Y9 E13 K14 N15 K16Y9-M11 HydrophobicContact CD1-CG 3.88Å; Y9-M11 HydrophobicContact CE1-CG 3.93Å; M11-E13 VanDerWaalsContact C-N 3.28Å; M11-E13 PolarHBondContact O-N 3.47Å; M11-K14 HydrophobicContact CB-CB 4.13Å; M11-K14 HydrophobicContact CE-CD 4.37Å; M11-K14 CarbonylContact O-C 3.58Å; M11-K14 PolarHBondContact O-N 3.16Å; M11-K14 HydrophobicContact SD-CD 4.13Å; M11-N15 PolarHBondContact O-N 3.43Å; M11-K16 WeakPolarHBondContact CB-O 3.39Å; M11-K16 HydrophobicContact CE-CD 4.38Å; M11-K16 HydrophobicContact CE-CG 3.63Å; M11-K16 WeakPolarHBondContact CE-O 3.4Å; M11-K16 PolarHBondContact N-O 3.17Å; M11-K16 PolarHBondContact O-N 2.94Å
12N89.4Confident84.2Confident133 Ų133102.6 Ų102.671%0.71150%0.496SS*.G310 helixtrans-50.3-46-178.3-72.6-30.1000112.6F10 K14 N15F10-N12 VanDerWaalsContact CD1-OD1 3.3Å; F10-N12 WeakPolarHBondContact CD1-OD1 3.38Å; F10-N12 PolarHBondContact O-N 3.49Å; N12-K14 PolarHBondContact O-N 3.16Å; N12-N15 PolarHBondContact O-N 3.07Å
13E83.8Confident86.1Confident193 Ų193100.8 Ų100.890%0.90247%0.472SS*.G310 helixtrans-60.1-29178.9-62.3176-179.500113.9M11M11-E13 VanDerWaalsContact C-N 3.28Å; M11-E13 PolarHBondContact O-N 3.47Å
14K84.2Confident87.9Confident129 Ų129105.8 Ų105.856%0.56148%0.481SS*.G310 helixtrans-107.33.6-176.5-62.4-179.6-177.9170.40112.4M11 N12 K16M11-K14 HydrophobicContact CB-CB 4.13Å; M11-K14 HydrophobicContact CE-CD 4.37Å; M11-K14 CarbonylContact O-C 3.58Å; M11-K14 PolarHBondContact O-N 3.16Å; M11-K14 HydrophobicContact SD-CD 4.13Å; N12-K14 PolarHBondContact O-N 3.16Å; K14-K16 HydrophobicContact CB-CD 4.24Å; K14-K16 HydrophobicContact CB-CG 4.03Å; K14-K16 WeakPolarHBondContact O-CG 2.74Å; K14-K16 PolarHBondContact O-N 2.7Å; K14-K16 VanDerWaalsContact O-N 3.13Å
15N87.4Confident89.1Confident129 Ų129102.9 Ų102.969%0.6949%0.491SS*.THydrogen-bonded Turntrans41.544.9-176.1-161.925.2000113.7F10 M11 N12F10-N15 WeakPolarHBondContact CZ-OD1 3.37Å; M11-N15 PolarHBondContact O-N 3.43Å; N12-N15 PolarHBondContact O-N 3.07Å
16K91Very high89.4Confident88 Ų8899.2 Ų99.238%0.38348%0.477SS..EExtended strand (participates in β ladder)trans-157.9153.9-177.671.6-165.2-177.7-165.70112.6M11 K14M11-K16 WeakPolarHBondContact CB-O 3.39Å; M11-K16 HydrophobicContact CE-CD 4.38Å; M11-K16 HydrophobicContact CE-CG 3.63Å; M11-K16 WeakPolarHBondContact CE-O 3.4Å; M11-K16 PolarHBondContact N-O 3.17Å; M11-K16 PolarHBondContact O-N 2.94Å; K14-K16 HydrophobicContact CB-CD 4.24Å; K14-K16 HydrophobicContact CB-CG 4.03Å; K14-K16 WeakPolarHBondContact O-CG 2.74Å; K14-K16 PolarHBondContact O-N 2.7Å; K14-K16 VanDerWaalsContact O-N 3.13Å
17Y91.1Very high89.5Confident145 Ų14594.9 Ų94.957%0.56947%0.467SS*.EExtended strand (participates in β ladder)trans-67.2149.3170.3-71.1-82.4000112.7G8 Y9 F10 R19G8-Y17 WeakPolarHBondContact O-CE1 3.35Å; Y9-Y17 CarbonylContact O-C 3.45Å; Y9-Y17 WeakPolarHBondContact O-CA 3.27Å; F10-Y17 HydrophobicContact CB-CD1 4.08Å; F10-Y17 HydrophobicContact CB-CE1 3.9Å; F10-Y17 HydrophobicContact CD2-CD1 4.01Å; F10-Y17 AromaticContact CD2-CD2 3.79Å; F10-Y17 HydrophobicContact CD2-CD2 3.79Å; F10-Y17 AromaticContact CD2-CE1 3.92Å; F10-Y17 HydrophobicContact CD2-CE1 3.92Å; F10-Y17 AromaticContact CD2-CE2 3.67Å; F10-Y17 HydrophobicContact CD2-CE2 3.67Å; F10-Y17 AromaticContact CD2-CG 3.95Å; F10-Y17 HydrophobicContact CD2-CG 3.95Å; F10-Y17 AromaticContact CD2-CZ 3.74Å; F10-Y17 HydrophobicContact CE2-CD2 4.24Å; F10-Y17 HydrophobicContact CE2-CE2 4.12Å; F10-Y17 HydrophobicContact CG-CE1 4.4Å; Y17-R19 PolarHBondContact O-N 3.33Å
18C90.9Very high89.4Confident7 Ų798.1 Ų98.15%0.04748%0.479CS..  trans-58.8134.1173.7-176.10000110.4C7 Y9 Q20 H32C7-C18 HydrophobicContact CB-CB 3.86Å; Y9-C18 WeakPolarHBondContact O-CB 3.33Å; Y9-C18 PolarHBondContact O-N 3.14Å; C18-Q20 PolarHBondContact SG-N 3.32Å; C18-Q20 VanDerWaalsContact SG-N 3.45Å; C18-H32 PolarHBondContact SG-CE1 3.02Å
19R89.7Confident89.4Confident182 Ų18296.6 Ų96.669%0.68746%0.463SS*.  trans-89.8-2.3179.9-64.2-176.2179.9179.9-1.9113.6Y17Y17-R19 PolarHBondContact O-N 3.33Å
20Q89.4Confident89.2Confident93 Ų9395.4 Ų95.444%0.43546%0.46SS..SBendtrans-74151.6177.6-67-177-11.800110.5C7 C18 C29 T31C7-Q20 VanDerWaalsContact CB-O 3.3Å; C7-Q20 WeakPolarHBondContact CB-O 3.43Å; C7-Q20 PolarHBondContact N-O 3.33Å; C18-Q20 PolarHBondContact SG-N 3.32Å; C18-Q20 VanDerWaalsContact SG-N 3.45Å; Q20-C29 HydrophobicContact CB-CB 3.59Å; Q20-C29 PolarHBondContact OE1-SG 2.64Å; Q20-T31 PolarHBondContact OE1-OG1 3.08Å
21L90.7Very high89Confident94 Ų9495 Ų9549%0.49246%0.463SS..BIsolated β-bridgetrans-65.9141173.2-65.8177.7000110.3E4 C29E4-L21 HydrophobicContact CB-CD2 3.71Å; L21-C29 WeakPolarHBondContact O-CA 3.19Å; L21-C29 WeakPolarHBondContact O-CB 3.47Å
22R90.6Very high89Confident98 Ų9895.3 Ų95.337%0.3746%0.464SS..PPolyproline II helixtrans-69.9154172.977.1-169.4-176.7165.5-4.3110.6E5 S26 R28E5-R22 HydrophobicContact CB-CG 4.48Å; E5-R22 VanDerWaalsContact CB-CZ 3.45Å; E5-R22 VanDerWaalsContact CB-NE 3.27Å; E5-R22 VanDerWaalsContact O-CG 3.28Å; E5-R22 WeakPolarHBondContact O-CG 3.38Å; E5-R22 PolarHBondContact O-N 3.04Å; E5-R22 IonicContact OE1-CZ 2.81Å; E5-R22 IonicContact OE1-NH1 2.93Å; E5-R22 IonicContact OE1-NH2 3.56Å; E5-R22 PolarHBondContact OE1-NH2 3.38Å; E5-R22 IonicContact OE2-CZ 3.55Å; E5-R22 IonicContact OE2-NE 2.77Å; E5-R22 IonicContact OE2-NH1 3.97Å; E5-R22 PolarHBondContact OE2-NH1 3Å; E5-R22 IonicContact OE2-NH2 3.5Å; E5-R22 PolarHBondContact OE2-NH2 3.15Å; R22-S26 WeakPolarHBondContact CB-O 3.43Å; R22-S26 VanDerWaalsContact CD-O 3.27Å; R22-S26 WeakPolarHBondContact CD-O 3.25Å; R22-S26 WeakPolarHBondContact CG-O 3.4Å; R22-R28 CarbonylContact C-O 3.55Å; R22-R28 WeakPolarHBondContact CA-O 3.45Å
23L86.7Confident88.9Confident58 Ų5889.9 Ų89.930%0.30443%0.434SS..PPolyproline II helixtrans-69.1149.9170.9-70.3172.1000109.8G25 S26 R28 F30 E33L23-G25 PolarHBondContact O-N 3.09Å; L23-G25 VanDerWaalsContact O-N 3.11Å; L23-S26 PolarHBondContact O-N 3.21Å; L23-R28 PolarHBondContact N-O 3.06Å; L23-F30 HydrophobicContact CD1-CD2 4.48Å; L23-F30 HydrophobicContact CD2-CB 4.15Å; L23-F30 HydrophobicContact CD2-CD2 4.5Å; L23-F30 HydrophobicContact CG-CB 4.5Å; L23-E33 HydrophobicContact CD1-CB 3.95Å; L23-E33 HydrophobicContact CD1-CG 3.96Å
24K86.5Confident88.9Confident220 Ų22087.2 Ų87.296%0.95743%0.431SS*.THydrogen-bonded Turntrans-59.9118.6175.2-171.7178.1-179.5-179.40109.3
25G88Confident88.8Confident89 Ų8985.8 Ų85.892%0.91844%0.438SS*.THydrogen-bonded Turntrans867.8-178.900000115.7L23L23-G25 PolarHBondContact O-N 3.09Å; L23-G25 VanDerWaalsContact O-N 3.11Å
26S89.3Confident88.6Confident24 Ų2481.8 Ų81.817%0.16842%0.418CS..SBendtrans-128.6154.4175.7170.60000111.3R22 L23 R28 E33R22-S26 WeakPolarHBondContact CB-O 3.43Å; R22-S26 VanDerWaalsContact CD-O 3.27Å; R22-S26 WeakPolarHBondContact CD-O 3.25Å; R22-S26 WeakPolarHBondContact CG-O 3.4Å; L23-S26 PolarHBondContact O-N 3.21Å; S26-R28 VanDerWaalsContact C-N 3.29Å; S26-R28 PolarHBondContact OG-N 3.27Å; S26-E33 WeakPolarHBondContact CB-OE2 3.46Å; S26-E33 PolarHBondContact OG-OE2 3.24Å
27D91Very high88.3Confident82 Ų8280.8 Ų80.844%0.43943%0.426SS..SBendtrans-80.4-8.4169.777.8-21.8000112.6G8G8-D27 PolarHBondContact N-O 3.08Å
28R92.1Very high88.2Confident69 Ų6976 Ų7626%0.2641%0.408SS..SBendtrans-109.5152.9-178.2-53.6-50.9156.8157.3-9.2113.6G8 R22 L23 S26 H32 E33G8-R28 PolarHBondContact O-NH1 3.23Å; R22-R28 CarbonylContact C-O 3.55Å; R22-R28 WeakPolarHBondContact CA-O 3.45Å; L23-R28 PolarHBondContact N-O 3.06Å; S26-R28 VanDerWaalsContact C-N 3.29Å; S26-R28 PolarHBondContact OG-N 3.27Å; R28-H32 HydrophobicContact CB-CB 4.25Å; R28-E33 HydrophobicContact CB-CB 4.27Å
29C91.3Very high88.1Confident1 Ų177.3 Ų77.31%0.00742%0.416CS..  trans-75169.8166.2640000110.9C7 Q20 L21 T31 H32 E33C7-C29 HydrophobicContact CB-CB 3.71Å; C7-C29 PolarHBondContact SG-N 3.07Å; C7-C29 VanDerWaalsContact SG-SG 3.62Å; Q20-C29 HydrophobicContact CB-CB 3.59Å; Q20-C29 PolarHBondContact OE1-SG 2.64Å; L21-C29 WeakPolarHBondContact O-CA 3.19Å; L21-C29 WeakPolarHBondContact O-CB 3.47Å; C29-T31 PolarHBondContact O-N 2.93Å; C29-T31 VanDerWaalsContact O-N 3.11Å; C29-H32 PolarHBondContact O-N 2.87Å; C29-H32 VanDerWaalsContact O-N 3.12Å; C29-H32 PolarHBondContact SG-N 3.09Å; C29-H32 VanDerWaalsContact SG-N 3.44Å; C29-H32 PolarHBondContact SG-ND1 2.75Å; C29-E33 WeakPolarHBondContact O-CB 3.49Å; C29-E33 PolarHBondContact O-N 3.31Å
30F88.4Confident88Confident69 Ų6970.9 Ų70.930%0.30340%0.402SS..THydrogen-bonded Turntrans-55-32.5176.4-175.4-99.2000113.5L23 K38 L48 T50L23-F30 HydrophobicContact CD1-CD2 4.48Å; L23-F30 HydrophobicContact CD2-CB 4.15Å; L23-F30 HydrophobicContact CD2-CD2 4.5Å; L23-F30 HydrophobicContact CG-CB 4.5Å; F30-K38 HydrophobicContact CD1-CD 4.41Å; F30-K38 HydrophobicContact CE1-CD 3.95Å; F30-K38 HydrophobicContact CE1-CG 4.33Å; F30-K38 HydrophobicContact CE2-CD 4.42Å; F30-K38 HydrophobicContact CZ-CD 3.96Å; F30-K38 HydrophobicContact CZ-CG 3.98Å; F30-K38 VanDerWaalsContact O-CD 3.3Å; F30-K38 WeakPolarHBondContact O-CD 3.47Å; F30-K38 WeakPolarHBondContact O-CE 3.29Å; F30-K38 PolarHBondContact O-NZ 3.49Å; F30-L48 HydrophobicContact CE1-CB 4.25Å; F30-L48 WeakPolarHBondContact CE1-O 3.38Å; F30-T50 WeakPolarHBondContact CE2-OG1 3.29Å
31T87.9Confident87.9Confident59 Ų5966.5 Ų66.536%0.36238%0.381SS..THydrogen-bonded Turntrans-71.7-44.4177.5-58.80000112.3Q20 C29 K38 L48Q20-T31 PolarHBondContact OE1-OG1 3.08Å; C29-T31 PolarHBondContact O-N 2.93Å; C29-T31 VanDerWaalsContact O-N 3.11Å; T31-K38 PolarHBondContact O-NZ 2.83Å; T31-L48 HydrophobicContact CG2-CD1 4.24Å
32H89.4Confident87.6Confident39 Ų3966.3 Ų66.318%0.18139%0.385CS..THydrogen-bonded Turntrans-92.1-3.8-173.6-60125.7000114.9Y9 C18 R28 C29 T34Y9-H32 WeakPolarHBondContact CB-ND1 3.38Å; Y9-H32 HydrophobicContact CD1-CB 4.41Å; Y9-H32 AromaticContact CD1-CD2 3.35Å; Y9-H32 WeakPolarHBondContact CD1-CD2 3.28Å; Y9-H32 AromaticContact CD1-CE1 3.39Å; Y9-H32 WeakPolarHBondContact CD1-CE1 3.27Å; Y9-H32 AromaticContact CD1-CG 3.55Å; Y9-H32 AromaticContact CD1-ND1 3.57Å; Y9-H32 AromaticContact CD1-NE2 3.28Å; Y9-H32 VanDerWaalsContact CD1-NE2 3.28Å; Y9-H32 WeakPolarHBondContact CD1-NE2 3.38Å; Y9-H32 HydrophobicContact CD2-CB 3.93Å; Y9-H32 AromaticContact CD2-CG 3.93Å; Y9-H32 AromaticContact CE1-CD2 3.53Å; Y9-H32 AromaticContact CE1-NE2 3.46Å; Y9-H32 WeakPolarHBondContact CE1-NE2 3.44Å; Y9-H32 HydrophobicContact CG-CB 3.77Å; Y9-H32 AromaticContact CG-CD2 3.6Å; Y9-H32 AromaticContact CG-CE1 3.95Å; Y9-H32 AromaticContact CG-CG 3.39Å; Y9-H32 AromaticContact CG-ND1 3.63Å; Y9-H32 AromaticContact CG-NE2 3.98Å; Y9-H32 AromaticContact CZ-CD2 3.96Å; C18-H32 PolarHBondContact SG-CE1 3.02Å; R28-H32 HydrophobicContact CB-CB 4.25Å; C29-H32 PolarHBondContact O-N 2.87Å; C29-H32 VanDerWaalsContact O-N 3.12Å; C29-H32 PolarHBondContact SG-N 3.09Å; C29-H32 VanDerWaalsContact SG-N 3.44Å; C29-H32 PolarHBondContact SG-ND1 2.75Å; H32-T34 PolarHBondContact O-N 2.85Å
33E87.6Confident87.1Confident20 Ų2065.1 Ų65.19%0.09339%0.386CS..  trans-66.5110.2177.1178.754.8-104.100112.4L23 S26 R28 C29 S35 V36 K38L23-E33 HydrophobicContact CD1-CB 3.95Å; L23-E33 HydrophobicContact CD1-CG 3.96Å; S26-E33 WeakPolarHBondContact CB-OE2 3.46Å; S26-E33 PolarHBondContact OG-OE2 3.24Å; R28-E33 HydrophobicContact CB-CB 4.27Å; C29-E33 WeakPolarHBondContact O-CB 3.49Å; C29-E33 PolarHBondContact O-N 3.31Å; E33-S35 WeakPolarHBondContact CG-OG 3.48Å; E33-S35 WeakPolarHBondContact OE1-CB 3.21Å; E33-S35 PolarHBondContact OE1-N 2.93Å; E33-S35 PolarHBondContact OE1-OG 2.9Å; E33-V36 HydrophobicContact CG-CB 4.29Å; E33-V36 HydrophobicContact CG-CG2 3.82Å; E33-K38 WeakPolarHBondContact O-CE 3.42Å; E33-K38 PolarHBondContact O-NZ 3.22Å
34T84.7Confident86.6Confident136 Ų13663.9 Ų63.983%0.83438%0.38SS*.THydrogen-bonded Turntrans-81.8-21.4-176.551.30000113.3H32 V36H32-T34 PolarHBondContact O-N 2.85Å; T34-V36 PolarHBondContact O-N 3.39Å
35S82.4Confident86.4Confident99 Ų9958 Ų5869%0.69236%0.364SS*.THydrogen-bonded Turntrans-68.3-17.2-179.2620000113.9E33E33-S35 WeakPolarHBondContact CG-OG 3.48Å; E33-S35 WeakPolarHBondContact OE1-CB 3.21Å; E33-S35 PolarHBondContact OE1-N 2.93Å; E33-S35 PolarHBondContact OE1-OG 2.9Å
36V81.8Confident86Confident45 Ų4558.6 Ų58.627%0.27335%0.354SS..SBendtrans-104.9115.7-178-1790000109.9E33 T34 K38 T50E33-V36 HydrophobicContact CG-CB 4.29Å; E33-V36 HydrophobicContact CG-CG2 3.82Å; T34-V36 PolarHBondContact O-N 3.39Å; V36-K38 HydrophobicContact CG1-CG 4.18Å; V36-K38 VanDerWaalsContact O-CE 3.31Å; V36-K38 WeakPolarHBondContact O-CE 3.24Å; V36-K38 PolarHBondContact O-N 3.42Å; V36-T50 HydrophobicContact CG1-CG2 3.56Å
37A85.3Confident85.6Confident67 Ų6760.2 Ų60.255%0.55436%0.359SS*.  trans-61.8110.5171.100000110.5R51A37-R51 HydrophobicContact CB-CB 4.42Å; A37-R51 PolarHBondContact O-N 3.18Å
38K88.2Confident85.5Confident45 Ų4559.5 Ų59.520%0.19636%0.355CS..EExtended strand (participates in β ladder)trans-114151.4-179.9-70.8166.7-118157.10110.3F30 T31 E33 V36 L48 V49F30-K38 HydrophobicContact CD1-CD 4.41Å; F30-K38 HydrophobicContact CE1-CD 3.95Å; F30-K38 HydrophobicContact CE1-CG 4.33Å; F30-K38 HydrophobicContact CE2-CD 4.42Å; F30-K38 HydrophobicContact CZ-CD 3.96Å; F30-K38 HydrophobicContact CZ-CG 3.98Å; F30-K38 VanDerWaalsContact O-CD 3.3Å; F30-K38 WeakPolarHBondContact O-CD 3.47Å; F30-K38 WeakPolarHBondContact O-CE 3.29Å; F30-K38 PolarHBondContact O-NZ 3.49Å; T31-K38 PolarHBondContact O-NZ 2.83Å; E33-K38 WeakPolarHBondContact O-CE 3.42Å; E33-K38 PolarHBondContact O-NZ 3.22Å; V36-K38 HydrophobicContact CG1-CG 4.18Å; V36-K38 VanDerWaalsContact O-CE 3.31Å; V36-K38 WeakPolarHBondContact O-CE 3.24Å; V36-K38 PolarHBondContact O-N 3.42Å; K38-L48 HydrophobicContact CB-CB 4.41Å; K38-L48 HydrophobicContact CD-CB 4.46Å; K38-L48 HydrophobicContact CD-CD1 4.29Å; K38-V49 CarbonylContact C-O 3.57Å; K38-V49 WeakPolarHBondContact CA-O 3.44Å
39V88.6Confident85.4Confident35 Ų3556.7 Ų56.721%0.21235%0.345CS..EExtended strand (participates in β ladder)trans-131.3151.2171.4-65.30000108.4L48 V49 R51 L54V39-L48 WeakPolarHBondContact O-CA 3.43Å; V39-V49 PolarHBondContact N-O 3.24Å; V39-V49 PolarHBondContact O-N 2.76Å; V39-R51 HydrophobicContact CG1-CB 4.46Å; V39-R51 HydrophobicContact CG1-CG 4.24Å; V39-L54 HydrophobicContact CG2-CD1 4.18Å; V39-L54 HydrophobicContact CG2-CD2 4.1Å
40A87.6Confident85.3Confident47 Ų4758 Ų5839%0.38835%0.353SS..EExtended strand (participates in β ladder)trans-64.3142.2167.800000109.2P42 P45 L48A40-P42 WeakPolarHBondContact O-CD 3.45Å; A40-P45 HydrophobicContact CB-CB 4.28Å; A40-L48 HydrophobicContact CB-CD2 4.3Å
41C87.5Confident85.4Confident1 Ų163 Ų631%0.00737%0.37CS..EExtended strand (participates in β ladder)trans-63.4127.1174.7171.90000109.8L43 D44 P45 H47 V49 H57C41-L43 PolarHBondContact O-N 3.13Å; C41-L43 PolarHBondContact SG-N 3.33Å; C41-D44 WeakPolarHBondContact CB-O 3.25Å; C41-D44 CarbonylContact O-C 3.57Å; C41-D44 PolarHBondContact O-N 3.16Å; C41-P45 WeakPolarHBondContact O-CA 3.27Å; C41-H47 WeakPolarHBondContact CB-CE1 3.18Å; C41-H47 VanDerWaalsContact CB-NE2 3.33Å; C41-H47 WeakPolarHBondContact CB-NE2 3.46Å; C41-H47 PolarHBondContact N-O 2.85Å; C41-V49 HydrophobicContact CB-CG2 4.08Å; C41-H57 PolarHBondContact SG-NE2 3.45Å
42P84.7Confident85.5Confident89 Ų8965.2 Ų65.258%0.57839%0.388SS*.THydrogen-bonded Turntrans-58.8-29175.8-2532.8000114.1A40 L54 L58A40-P42 WeakPolarHBondContact O-CD 3.45Å; P42-L54 HydrophobicContact CG-CD1 4.31Å; P42-L58 HydrophobicContact CG-CD2 4.37Å
43L80.2Confident85.6Confident73 Ų7369.2 Ų69.238%0.38241%0.405SS..THydrogen-bonded Turntrans-85.2-21.7179.5-57.4171.7000113.2C41 L58 C61 K63 E64C41-L43 PolarHBondContact O-N 3.13Å; C41-L43 PolarHBondContact SG-N 3.33Å; L43-L58 HydrophobicContact CD1-CD2 3.54Å; L43-L58 HydrophobicContact CG-CD2 3.63Å; L43-C61 HydrophobicContact CD1-CB 3.85Å; L43-K63 HydrophobicContact CB-CB 4.41Å; L43-E64 HydrophobicContact CD1-CB 3.46Å; L43-E64 VanDerWaalsContact CD1-CB 3.46Å; L43-E64 HydrophobicContact CD1-CG 3.63Å
44D77.2Confident85.7Confident33 Ų3370.2 Ų70.218%0.17641%0.411CS..EExtended strand (participates in β ladder)trans-158.794.4177.1175.17000110.1C41 S46 H47 K63C41-D44 WeakPolarHBondContact CB-O 3.25Å; C41-D44 CarbonylContact O-C 3.57Å; C41-D44 PolarHBondContact O-N 3.16Å; D44-S46 PolarHBondContact O-N 3.08Å; D44-S46 WeakPolarHBondContact OD1-CB 3.41Å; D44-S46 PolarHBondContact OD1-N 3.24Å; D44-S46 PolarHBondContact OD1-OG 3.24Å; D44-S46 PolarHBondContact OD2-OG 3.2Å; D44-S46 VanDerWaalsContact OD2-OG 3.13Å; D44-H47 PolarHBondContact O-CE1 3.33Å; D44-H47 PolarHBondContact O-N 3.42Å; D44-H47 PolarHBondContact O-ND1 2.9Å; D44-H47 IonicContact OD2-ND1 3.54Å; D44-K63 HydrophobicContact CB-CB 4.42Å; D44-K63 HydrophobicContact CB-CG 3.91Å; D44-K63 WeakPolarHBondContact OD2-CE 3.31Å
45P82.4Confident85.9Confident97 Ų9769.9 Ų69.963%0.6340%0.4SS*.EExtended strand (participates in β ladder)trans-63-7.9-177-25.435.1000115.1A40 C41 H47A40-P45 HydrophobicContact CB-CB 4.28Å; C41-P45 WeakPolarHBondContact O-CA 3.27Å; P45-H47 PolarHBondContact O-N 3.1Å
46S78Confident86.3Confident101 Ų10172.8 Ų72.871%0.70640%0.4SS*.EExtended strand (participates in β ladder)trans-68.9-12.5179.373.90000114.1D44D44-S46 PolarHBondContact O-N 3.08Å; D44-S46 WeakPolarHBondContact OD1-CB 3.41Å; D44-S46 PolarHBondContact OD1-N 3.24Å; D44-S46 PolarHBondContact OD1-OG 3.24Å; D44-S46 PolarHBondContact OD2-OG 3.2Å; D44-S46 VanDerWaalsContact OD2-OG 3.13Å
47H82.5Confident86.6Confident58 Ų5871.8 Ų71.827%0.26939%0.392SS..EExtended strand (participates in β ladder)trans-131.6152.5177.373.2-79.6000112.8C41 D44 P45 H57C41-H47 WeakPolarHBondContact CB-CE1 3.18Å; C41-H47 VanDerWaalsContact CB-NE2 3.33Å; C41-H47 WeakPolarHBondContact CB-NE2 3.46Å; C41-H47 PolarHBondContact N-O 2.85Å; D44-H47 PolarHBondContact O-CE1 3.33Å; D44-H47 PolarHBondContact O-N 3.42Å; D44-H47 PolarHBondContact O-ND1 2.9Å; D44-H47 IonicContact OD2-ND1 3.54Å; P45-H47 PolarHBondContact O-N 3.1Å; H47-H57 AromaticContact CD2-CE1 3.95Å; H47-H57 AromaticContact CE1-CE1 3.92Å; H47-H57 AromaticContact CE1-NE2 3.95Å; H47-H57 AromaticContact NE2-CE1 2.97Å; H47-H57 PolarHBondContact NE2-CE1 3.2Å; H47-H57 AromaticContact NE2-NE2 3.23Å; H47-H57 PolarHBondContact NE2-NE2 3.02Å
48L87.5Confident86.7Confident66 Ų6670.5 Ų70.535%0.34638%0.375SS..EExtended strand (participates in β ladder)trans-100145.4-178.2-62.1178.1000110.8F30 T31 K38 V39 A40F30-L48 HydrophobicContact CE1-CB 4.25Å; F30-L48 WeakPolarHBondContact CE1-O 3.38Å; T31-L48 HydrophobicContact CG2-CD1 4.24Å; K38-L48 HydrophobicContact CB-CB 4.41Å; K38-L48 HydrophobicContact CD-CB 4.46Å; K38-L48 HydrophobicContact CD-CD1 4.29Å; V39-L48 WeakPolarHBondContact O-CA 3.43Å; A40-L48 HydrophobicContact CB-CD2 4.3Å
49V89.5Confident86.5Confident11 Ų1174.6 Ų74.67%0.06739%0.394CS..EExtended strand (participates in β ladder)trans-130.2141.9176.6-172.90000108.2K38 V39 C41 R51 K53 H57K38-V49 CarbonylContact C-O 3.57Å; K38-V49 WeakPolarHBondContact CA-O 3.44Å; V39-V49 PolarHBondContact N-O 3.24Å; V39-V49 PolarHBondContact O-N 2.76Å; C41-V49 HydrophobicContact CB-CG2 4.08Å; V49-R51 PolarHBondContact O-N 2.91Å; V49-K53 HydrophobicContact CG1-CB 4.47Å; V49-H57 HydrophobicContact CG1-CB 3.59Å; V49-H57 HydrophobicContact CG2-CB 4.38Å
50T90.5Very high86.1Confident27 Ų2781.4 Ų81.417%0.16642%0.415CS..EExtended strand (participates in β ladder)trans-61.2132.8171.3-51.20000109.3F30 V36 S52 K53 L54F30-T50 WeakPolarHBondContact CE2-OG1 3.29Å; V36-T50 HydrophobicContact CG1-CG2 3.56Å; T50-S52 WeakPolarHBondContact CG2-OG 3.42Å; T50-S52 PolarHBondContact O-N 2.99Å; T50-S52 VanDerWaalsContact O-N 3.15Å; T50-K53 CarbonylContact O-C 3.59Å; T50-K53 WeakPolarHBondContact O-CA 3.09Å; T50-K53 PolarHBondContact O-N 2.97Å; T50-L54 PolarHBondContact O-N 3.16Å
51R89.8Confident85.8Confident176 Ų17679.4 Ų79.466%0.66440%0.399SS*.G310 helixtrans-53.4-40.1-176.4-164.9173.7-172.7128.1-0.4112.7A37 V39 V49 K53 L54A37-R51 HydrophobicContact CB-CB 4.42Å; A37-R51 PolarHBondContact O-N 3.18Å; V39-R51 HydrophobicContact CG1-CB 4.46Å; V39-R51 HydrophobicContact CG1-CG 4.24Å; V49-R51 PolarHBondContact O-N 2.91Å; R51-K53 VanDerWaalsContact C-N 3.26Å; R51-K53 PolarHBondContact O-N 3.4Å; R51-L54 WeakPolarHBondContact O-CB 3.38Å; R51-L54 PolarHBondContact O-N 3.36Å
52S90.5Very high85.1Confident105 Ų10586.3 Ų86.373%0.73444%0.436SS*.G310 helixtrans-67.5-20.317760.50000114.9T50T50-S52 WeakPolarHBondContact CG2-OG 3.42Å; T50-S52 PolarHBondContact O-N 2.99Å; T50-S52 VanDerWaalsContact O-N 3.15Å
53K90.9Very high84.5Confident122 Ų12287.2 Ų87.253%0.5343%0.43SS..G310 helixtrans-104.63.4179.5-66.6-176.2179.6175.70112.7V49 T50 R51 E55 K56 H57V49-K53 HydrophobicContact CG1-CB 4.47Å; T50-K53 CarbonylContact O-C 3.59Å; T50-K53 WeakPolarHBondContact O-CA 3.09Å; T50-K53 PolarHBondContact O-N 2.97Å; R51-K53 VanDerWaalsContact C-N 3.26Å; R51-K53 PolarHBondContact O-N 3.4Å; K53-E55 PolarHBondContact O-N 2.9Å; K53-K56 PolarHBondContact O-N 3.14Å; K53-H57 WeakPolarHBondContact O-CB 3.41Å; K53-H57 PolarHBondContact O-N 3.34Å
54L90.7Very high83.5Confident42 Ų4287.3 Ų87.322%0.2243%0.429CS..Hα-helixtrans-56.8-49.4-175.5-178.861.1000111.8V39 P42 T50 R51 K56 H57 L58V39-L54 HydrophobicContact CG2-CD1 4.18Å; V39-L54 HydrophobicContact CG2-CD2 4.1Å; P42-L54 HydrophobicContact CG-CD1 4.31Å; T50-L54 PolarHBondContact O-N 3.16Å; R51-L54 WeakPolarHBondContact O-CB 3.38Å; R51-L54 PolarHBondContact O-N 3.36Å; L54-K56 PolarHBondContact O-N 3.01Å; L54-H57 WeakPolarHBondContact O-CA 3.46Å; L54-H57 WeakPolarHBondContact O-CB 3.34Å; L54-H57 PolarHBondContact O-N 3.39Å; L54-H57 VanDerWaalsContact O-N 3.1Å; L54-L58 HydrophobicContact CD1-CD1 4.46Å; L54-L58 HydrophobicContact CD1-CD2 4.48Å; L54-L58 HydrophobicContact CD1-CG 4.24Å; L54-L58 HydrophobicContact CG-CD1 4.24Å; L54-L58 HydrophobicContact CG-CG 4.43Å; L54-L58 WeakPolarHBondContact O-CG 3.24Å; L54-L58 PolarHBondContact O-N 2.9Å
55E89Confident82.5Confident129 Ų12992.1 Ų92.160%0.60345%0.45SS*.Hα-helixtrans-64-43-177.2-159.8-159.7141.400112.6K53 H57 L58 K59K53-E55 PolarHBondContact O-N 2.9Å; E55-H57 VanDerWaalsContact C-N 3.28Å; E55-H57 PolarHBondContact O-N 3.39Å; E55-L58 PolarHBondContact O-N 3.44Å; E55-K59 PolarHBondContact O-N 2.96Å; E55-K59 IonicContact OE1-NZ 2.89Å; E55-K59 PolarHBondContact OE1-NZ 3.34Å
56K90Very high81.5Confident159 Ų15995.4 Ų95.469%0.69145%0.45SS*.Hα-helixtrans-67.1-31173.9-72.3-174.3-179.8-179.20112.4K53 L54 R60K53-K56 PolarHBondContact O-N 3.14Å; L54-K56 PolarHBondContact O-N 3.01Å; K56-R60 WeakPolarHBondContact O-CG 3.47Å
57H89.2Confident80.8Confident24 Ų2497.2 Ų97.211%0.11146%0.456CS..Hα-helixtrans-69.8-47.3176.4163.281.7000111C41 H47 V49 K53 L54 E55 K59 R60 C61C41-H57 PolarHBondContact SG-NE2 3.45Å; H47-H57 AromaticContact CD2-CE1 3.95Å; H47-H57 AromaticContact CE1-CE1 3.92Å; H47-H57 AromaticContact CE1-NE2 3.95Å; H47-H57 AromaticContact NE2-CE1 2.97Å; H47-H57 PolarHBondContact NE2-CE1 3.2Å; H47-H57 AromaticContact NE2-NE2 3.23Å; H47-H57 PolarHBondContact NE2-NE2 3.02Å; V49-H57 HydrophobicContact CG1-CB 3.59Å; V49-H57 HydrophobicContact CG2-CB 4.38Å; K53-H57 WeakPolarHBondContact O-CB 3.41Å; K53-H57 PolarHBondContact O-N 3.34Å; L54-H57 WeakPolarHBondContact O-CA 3.46Å; L54-H57 WeakPolarHBondContact O-CB 3.34Å; L54-H57 PolarHBondContact O-N 3.39Å; L54-H57 VanDerWaalsContact O-N 3.1Å; E55-H57 VanDerWaalsContact C-N 3.28Å; E55-H57 PolarHBondContact O-N 3.39Å; H57-K59 VanDerWaalsContact C-N 3.34Å; H57-K59 PolarHBondContact O-N 3.31Å; H57-R60 CarbonylContact O-C 3.51Å; H57-R60 WeakPolarHBondContact O-CG 3.3Å; H57-R60 PolarHBondContact O-N 3.06Å; H57-R60 VanDerWaalsContact O-N 3.1Å; H57-C61 WeakPolarHBondContact O-CA 3.17Å; H57-C61 WeakPolarHBondContact O-CB 3.29Å; H57-C61 PolarHBondContact O-N 3.39Å
58L86.5Confident80.5Confident40 Ų40100.1 Ų100.121%0.20947%0.468CS..Hα-helixtrans-52.4-54.5-178.5-71.5174.2000109.9P42 L43 L54 E55 R60 C61P42-L58 HydrophobicContact CG-CD2 4.37Å; L43-L58 HydrophobicContact CD1-CD2 3.54Å; L43-L58 HydrophobicContact CG-CD2 3.63Å; L54-L58 HydrophobicContact CD1-CD1 4.46Å; L54-L58 HydrophobicContact CD1-CD2 4.48Å; L54-L58 HydrophobicContact CD1-CG 4.24Å; L54-L58 HydrophobicContact CG-CD1 4.24Å; L54-L58 HydrophobicContact CG-CG 4.43Å; L54-L58 WeakPolarHBondContact O-CG 3.24Å; L54-L58 PolarHBondContact O-N 2.9Å; E55-L58 PolarHBondContact O-N 3.44Å; L58-R60 PolarHBondContact O-N 3.46Å; L58-C61 WeakPolarHBondContact O-CB 3.44Å; L58-C61 PolarHBondContact O-N 3.42Å
59K84.8Confident80.6Confident132 Ų13298.6 Ų98.657%0.57447%0.465SS*.THydrogen-bonded Turntrans-53.4-18.4178.6-67174.9-173.5167.90116.7E55 H57 E64E55-K59 PolarHBondContact O-N 2.96Å; E55-K59 IonicContact OE1-NZ 2.89Å; E55-K59 PolarHBondContact OE1-NZ 3.34Å; H57-K59 VanDerWaalsContact C-N 3.34Å; H57-K59 PolarHBondContact O-N 3.31Å; K59-E64 VanDerWaalsContact CA-OE2 3.22Å; K59-E64 WeakPolarHBondContact CA-OE2 3.37Å; K59-E64 PolarHBondContact N-OE2 3.06Å
60R79.3Confident80.8Confident177 Ų177101.4 Ų101.467%0.66849%0.489SS*.THydrogen-bonded Turntrans-127.58.3-179.671.2-174.2178.71582.8112K56 H57 L58 N62K56-R60 WeakPolarHBondContact O-CG 3.47Å; H57-R60 CarbonylContact O-C 3.51Å; H57-R60 WeakPolarHBondContact O-CG 3.3Å; H57-R60 PolarHBondContact O-N 3.06Å; H57-R60 VanDerWaalsContact O-N 3.1Å; L58-R60 PolarHBondContact O-N 3.46Å; R60-N62 PolarHBondContact O-N 3.41Å
61C81.6Confident81Confident6 Ų6102.9 Ų102.94%0.04149%0.492CS..  trans-66.9122.5-178-177.20000106.2L43 H57 L58 K63 E64L43-C61 HydrophobicContact CD1-CB 3.85Å; H57-C61 WeakPolarHBondContact O-CA 3.17Å; H57-C61 WeakPolarHBondContact O-CB 3.29Å; H57-C61 PolarHBondContact O-N 3.39Å; L58-C61 WeakPolarHBondContact O-CB 3.44Å; L58-C61 PolarHBondContact O-N 3.42Å; C61-K63 PolarHBondContact O-N 3.19Å; C61-E64 HydrophobicContact CB-CB 4.33Å; C61-E64 PolarHBondContact O-N 2.59Å
62N73.4Confident81.3Confident146 Ų14696.8 Ų96.878%0.78147%0.473SS*.THydrogen-bonded Turntrans-57.7-9.4178.1-67-16.8000113.2R60R60-N62 PolarHBondContact O-N 3.41Å
63K70.8Confident81.5Confident107 Ų10793.4 Ų93.447%0.46545%0.448SS..THydrogen-bonded Turntrans-96.9-18.5178.1-58.1-73.3-171.1162.10113.7L43 D44 C61 H65L43-K63 HydrophobicContact CB-CB 4.41Å; D44-K63 HydrophobicContact CB-CB 4.42Å; D44-K63 HydrophobicContact CB-CG 3.91Å; D44-K63 WeakPolarHBondContact OD2-CE 3.31Å; C61-K63 PolarHBondContact O-N 3.19Å; K63-H65 VanDerWaalsContact C-N 3.34Å; K63-H65 PolarHBondContact O-N 3.11Å
64E60.3Low81.7Confident75 Ų7592.2 Ų92.235%0.3545%0.451SS..THydrogen-bonded Turntrans-68.2-31.8-177.9-161.2169-134.100112.7L43 K59 C61L43-E64 HydrophobicContact CD1-CB 3.46Å; L43-E64 VanDerWaalsContact CD1-CB 3.46Å; L43-E64 HydrophobicContact CD1-CG 3.63Å; K59-E64 VanDerWaalsContact CA-OE2 3.22Å; K59-E64 WeakPolarHBondContact CA-OE2 3.37Å; K59-E64 PolarHBondContact N-OE2 3.06Å; C61-E64 HydrophobicContact CB-CB 4.33Å; C61-E64 PolarHBondContact O-N 2.59Å
65H55.1Low81.8Confident134 Ų13490.6 Ų90.662%0.6244%0.444SS*.THydrogen-bonded Turntrans-114.117.5-165.7-60.3-54000115.5K63 V67K63-H65 VanDerWaalsContact C-N 3.34Å; K63-H65 PolarHBondContact O-N 3.11Å; H65-V67 PolarHBondContact O-N 2.83Å; H65-V67 VanDerWaalsContact O-N 3.12Å
66R61.1Low82.2Confident166 Ų16687.6 Ų87.663%0.62643%0.432SS*.  trans-8099168.7-69.4-171.6179.4-161.7-4.2107.7K68R66-K68 PolarHBondContact O-N 3.33Å
67V64.8Low82.5Confident140 Ų14080.2 Ų80.285%0.84840%0.399SS*.  trans-48.3113.4155.6176.80000105.4H65 A69H65-V67 PolarHBondContact O-N 2.83Å; H65-V67 VanDerWaalsContact O-N 3.12Å; V67-A69 PolarHBondContact O-N 2.66Å
68K75.4Confident82.8Confident119 Ų11980.4 Ų80.452%0.51740%0.403SS..  trans-57.9126177.8-84.6-169.4166.8-133.10107R66 D72 T74R66-K68 PolarHBondContact O-N 3.33Å; K68-D72 HydrophobicContact CB-CB 4.33Å; K68-D72 IonicContact NZ-OD1 3.27Å; K68-D72 PolarHBondContact NZ-OD1 3.31Å; K68-D72 IonicContact NZ-OD2 3.94Å; K68-T74 PolarHBondContact NZ-OG1 3.29Å
69A88.4Confident82.9Confident33 Ų3380.8 Ų80.827%0.27341%0.413SS..  trans-60.3151.4173.500000109.1V67 Y71 D72V67-A69 PolarHBondContact O-N 2.66Å; A69-Y71 HydrophobicContact CB-CD1 3.88Å; A69-Y71 HydrophobicContact CB-CD2 3.96Å; A69-Y71 HydrophobicContact CB-CE1 3.47Å; A69-Y71 VanDerWaalsContact CB-CE1 3.47Å; A69-Y71 HydrophobicContact CB-CE2 3.52Å; A69-Y71 HydrophobicContact CB-CG 4.11Å; A69-Y71 PolarHBondContact O-N 3.1Å; A69-D72 WeakPolarHBondContact O-CB 3.45Å; A69-D72 PolarHBondContact O-N 3.31Å
70A93.7Very high82.5Confident70 Ų7078 Ų7858%0.57940%0.404SS*.THydrogen-bonded Turntrans-56.9-28-177.900000113.2R299A70-R299 WeakPolarHBondContact O-CD 3.45Å
71Y96.2Very high81.8Confident58 Ų5875.4 Ų75.423%0.22740%0.403CS..THydrogen-bonded Turntrans-82.9-0.3176.757.6-108.1000115.1A69 V73 I288 I290 L295 D296 V300A69-Y71 HydrophobicContact CB-CD1 3.88Å; A69-Y71 HydrophobicContact CB-CD2 3.96Å; A69-Y71 HydrophobicContact CB-CE1 3.47Å; A69-Y71 VanDerWaalsContact CB-CE1 3.47Å; A69-Y71 HydrophobicContact CB-CE2 3.52Å; A69-Y71 HydrophobicContact CB-CG 4.11Å; A69-Y71 PolarHBondContact O-N 3.1Å; Y71-V73 PolarHBondContact O-N 3.24Å; Y71-I288 HydrophobicContact CD2-CG2 4.26Å; Y71-I288 HydrophobicContact CE2-CG2 3.51Å; Y71-I290 HydrophobicContact CD2-CD1 3.94Å; Y71-I290 HydrophobicContact CE2-CD1 4.19Å; Y71-L295 HydrophobicContact CD2-CD1 3.91Å; Y71-L295 HydrophobicContact CG-CD1 4.35Å; Y71-D296 VanDerWaalsContact CB-O 3.27Å; Y71-D296 WeakPolarHBondContact CB-O 3.48Å; Y71-D296 PolarHBondContact O-N 2.8Å; Y71-V300 HydrophobicContact CD1-CG2 3.98Å; Y71-V300 HydrophobicContact CG-CG2 3.88Å
72D95.4Very high80.4Confident48 Ų4879.7 Ų79.726%0.25743%0.432SS..BIsolated β-bridgetrans-90.386.5174.1-176.4-30.4000109.4K68 A69 I290K68-D72 HydrophobicContact CB-CB 4.33Å; K68-D72 IonicContact NZ-OD1 3.27Å; K68-D72 PolarHBondContact NZ-OD1 3.31Å; K68-D72 IonicContact NZ-OD2 3.94Å; A69-D72 WeakPolarHBondContact O-CB 3.45Å; A69-D72 PolarHBondContact O-N 3.31Å; D72-I290 HydrophobicContact CB-CD1 3.96Å
73V95.7Very high79.1Confident35 Ų3580.9 Ų80.921%0.21244%0.438CS..  trans-114.1100.2-178.9-173.90000108.8Y71 G75 I76 D294 D296Y71-V73 PolarHBondContact O-N 3.24Å; V73-G75 PolarHBondContact O-N 2.83Å; V73-I76 HydrophobicContact CB-CB 4.04Å; V73-I76 HydrophobicContact CB-CG2 4.2Å; V73-I76 HydrophobicContact CG1-CB 3.94Å; V73-I76 HydrophobicContact CG1-CD1 4.06Å; V73-I76 HydrophobicContact CG1-CG1 4.33Å; V73-I76 WeakPolarHBondContact O-CB 3.36Å; V73-I76 VanDerWaalsContact O-CG2 3.29Å; V73-I76 WeakPolarHBondContact O-CG2 3.38Å; V73-I76 PolarHBondContact O-N 3.06Å; V73-D294 CarbonylContact C-O 3.48Å; V73-D294 PolarHBondContact N-O 3.03Å; V73-D294 CarbonylContact O-C 3.6Å; V73-D294 VanDerWaalsContact O-CA 3.29Å; V73-D294 WeakPolarHBondContact O-CA 3.45Å; V73-D296 HydrophobicContact CB-CB 4.24Å; V73-D296 HydrophobicContact CG2-CB 3.8Å
74T93.5Very high78.2Confident97 Ų9779.1 Ų79.160%0.59544%0.439SS*.THydrogen-bonded Turntrans-50122.6-174.2-54.10000112.4K68 I76 D294K68-T74 PolarHBondContact NZ-OG1 3.29Å; T74-I76 PolarHBondContact O-N 3.36Å; T74-D294 WeakPolarHBondContact CA-OD1 3.38Å
75G94.2Very high77.6Confident7 Ų784.6 Ų84.67%0.07246%0.462CS..THydrogen-bonded Turntrans70.27.7172.900000115.8V73 N77 S78 A293 D294V73-G75 PolarHBondContact O-N 2.83Å; G75-N77 PolarHBondContact O-N 3.3Å; G75-S78 PolarHBondContact O-N 2.83Å; G75-A293 CarbonylContact C-O 3.39Å; G75-A293 VanDerWaalsContact C-O 3.26Å; G75-A293 WeakPolarHBondContact CA-O 3.42Å; G75-D294 PolarHBondContact N-OD1 2.89Å
76I96.2Very high77.6Confident67 Ų6786.1 Ų86.134%0.34447%0.473SS..THydrogen-bonded Turntrans-53.4-31.7-176.8-169.273.1000113.3V73 T74 A293 D296 N331V73-I76 HydrophobicContact CB-CB 4.04Å; V73-I76 HydrophobicContact CB-CG2 4.2Å; V73-I76 HydrophobicContact CG1-CB 3.94Å; V73-I76 HydrophobicContact CG1-CD1 4.06Å; V73-I76 HydrophobicContact CG1-CG1 4.33Å; V73-I76 WeakPolarHBondContact O-CB 3.36Å; V73-I76 VanDerWaalsContact O-CG2 3.29Å; V73-I76 WeakPolarHBondContact O-CG2 3.38Å; V73-I76 PolarHBondContact O-N 3.06Å; T74-I76 PolarHBondContact O-N 3.36Å; I76-A293 PolarHBondContact N-O 3.26Å; I76-D296 HydrophobicContact CG2-CB 4.43Å; I76-N331 PolarHBondContact O-ND2 3.33Å; I76-N331 VanDerWaalsContact O-ND2 3.11Å
77N97Very high77.2Confident3 Ų382.8 Ų82.82%0.01647%0.471CS..THydrogen-bonded Turntrans-101.8-5.4-179.7-57-41.8000113.4G75 I292 A293 L295 L324 R327 C328 N331G75-N77 PolarHBondContact O-N 3.3Å; N77-I292 PolarHBondContact ND2-O 3.08Å; N77-A293 PolarHBondContact N-O 3.05Å; N77-L295 PolarHBondContact ND2-O 3.21Å; N77-L324 HydrophobicContact CB-CD2 4.39Å; N77-L324 VanDerWaalsContact O-CD2 3.28Å; N77-L324 WeakPolarHBondContact O-CD2 3.28Å; N77-R327 PolarHBondContact O-NE 3.47Å; N77-R327 PolarHBondContact O-NH1 3.09Å; N77-C328 HydrophobicContact CB-CB 4.46Å; N77-C328 WeakPolarHBondContact ND2-CB 3.25Å; N77-C328 PolarHBondContact ND2-SG 3.46Å; N77-C328 VanDerWaalsContact ND2-SG 3.44Å; N77-C328 VanDerWaalsContact OD1-CA 3.31Å; N77-C328 WeakPolarHBondContact OD1-CA 3.37Å; N77-N331 PolarHBondContact OD1-ND2 2.65Å
78S95.2Very high76.7Confident28 Ų2881.4 Ų81.420%0.19646%0.464CS..  trans-86.1141.2177.9176.40000111.2G75 N80 E355G75-S78 PolarHBondContact O-N 2.83Å; S78-N80 VanDerWaalsContact C-N 3.33Å; S78-N80 PolarHBondContact OG-N 3.41Å; S78-E355 PolarHBondContact OG-OE1 2.59Å
79A88.3Confident76.1Confident49 Ų4983.9 Ų83.941%0.40548%0.475SS..G310 helixtrans-89.8-9177.600000111.1L81 N354 E355A79-L81 PolarHBondContact O-N 3.11Å; A79-N354 WeakPolarHBondContact CB-O 3.44Å; A79-E355 PolarHBondContact N-OE2 2.91Å
80N77.4Confident75Confident72 Ų7286.3 Ų86.339%0.38549%0.487SS..G310 helixtrans-79.33.3-179.5-72.8-47.6000113.6S78 C82 N354 E355S78-N80 VanDerWaalsContact C-N 3.33Å; S78-N80 PolarHBondContact OG-N 3.41Å; N80-C82 PolarHBondContact O-N 3.45Å; N80-N354 WeakPolarHBondContact OD1-CB 3.31Å; N80-N354 PolarHBondContact OD1-ND2 3.01Å; N80-E355 VanDerWaalsContact ND2-CD 3.33Å; N80-E355 PolarHBondContact ND2-OE1 3.2Å
81L63.4Low74.2Confident123 Ų12385.9 Ų85.964%0.64448%0.479SS*.G310 helixtrans-64.5-24.5177.5-120.780.8000113.1A79 N83A79-L81 PolarHBondContact O-N 3.11Å; L81-N83 PolarHBondContact O-N 3.38Å
82C53.1Low73.3Confident96 Ų9687.1 Ų87.165%0.64949%0.489SS*.SBendtrans-72.1122.2168.3-700000108.7N80 S84N80-C82 PolarHBondContact O-N 3.45Å; C82-S84 PolarHBondContact O-N 3.1Å; C82-S84 PolarHBondContact O-OG 3.06Å
83N46.7Very low72.5Confident172 Ų17289 Ų8992%0.9251%0.512SS*.  trans-52.365.2169.8-85.2-19.9000112.3L81 K85L81-N83 PolarHBondContact O-N 3.38Å; N83-K85 PolarHBondContact O-N 3.1Å; N83-K85 VanDerWaalsContact O-N 3.14Å
84S52Low72Confident69 Ų6993 Ų9348%0.48353%0.531SS..  trans-69.1114.3179.6-52.20000105.1C82 I86C82-S84 PolarHBondContact O-N 3.1Å; C82-S84 PolarHBondContact O-OG 3.06Å; S84-I86 PolarHBondContact O-N 2.94Å; S84-I86 VanDerWaalsContact O-N 3.16Å
85K47.6Very low71.9Confident190 Ų19089.9 Ų89.983%0.82651%0.513SS*.  trans-42.1127.2169.4-67.1-179.5178.6179.50107.7N83 V87N83-K85 PolarHBondContact O-N 3.1Å; N83-K85 VanDerWaalsContact O-N 3.14Å; K85-V87 VanDerWaalsContact C-N 3.29Å; K85-V87 PolarHBondContact O-N 3.34Å
86I53.8Low71.9Confident167 Ų16791.5 Ų91.586%0.85652%0.523SS*.  trans-60.197.8176.2-60.5170.4000106.3S84 P88S84-I86 PolarHBondContact O-N 2.94Å; S84-I86 VanDerWaalsContact O-N 3.16Å; I86-P88 WeakPolarHBondContact O-CD 3.22Å
87V53.8Low71.8Confident96 Ų9688.9 Ų88.958%0.58251%0.511SS*.PPolyproline II helixtrans-68.8125170.3-177.70000105.8K85 K89K85-V87 VanDerWaalsContact C-N 3.29Å; K85-V87 PolarHBondContact O-N 3.34Å; V87-K89 PolarHBondContact O-N 3.43Å; V87-K89 VanDerWaalsContact O-N 3.1Å
88P53Low71.7Confident110 Ų11089.6 Ų89.671%0.71452%0.515SS*.PPolyproline II helixtrans-53.7121.5175.8-22.732.2000109I86 V90I86-P88 WeakPolarHBondContact O-CD 3.22Å; P88-V90 PolarHBondContact O-N 3.35Å
89K62.7Low71.7Confident172 Ų17290.8 Ų90.875%0.74852%0.521SS*.PPolyproline II helixtrans-71.3119.6175.6-66.9177.8-178.4176.60107.3V87 S91V87-K89 PolarHBondContact O-N 3.43Å; V87-K89 VanDerWaalsContact O-N 3.1Å; K89-S91 PolarHBondContact O-N 2.88Å
90V66.1Low72Confident84 Ų8489.3 Ų89.351%0.50951%0.506SS..PPolyproline II helixtrans-58.2130165.9-178.20000107.5P88 D94 V95P88-V90 PolarHBondContact O-N 3.35Å; V90-D94 HydrophobicContact CG1-CB 3.79Å; V90-V95 HydrophobicContact CG1-CG2 4.23Å
91S77.1Confident72.9Confident60 Ų6085.9 Ų85.942%0.4249%0.487SS..PPolyproline II helixtrans-64.2144.8174.9-176.30000108.8K89 A93 D94K89-S91 PolarHBondContact O-N 2.88Å; S91-A93 PolarHBondContact O-N 3.42Å; S91-A93 PolarHBondContact OG-N 2.98Å; S91-D94 WeakPolarHBondContact CB-OD2 3.38Å; S91-D94 PolarHBondContact N-OD2 3Å; S91-D94 PolarHBondContact O-N 3.28Å
92L76.5Confident74.5Confident84 Ų8486.3 Ų86.344%0.4448%0.48SS..G310 helixtrans-56.1-25.1170.5-74.7167.1000112.2D94 L375 Y378L92-D94 VanDerWaalsContact C-N 3.31Å; L92-L375 HydrophobicContact CD2-CD2 3.65Å; L92-Y378 HydrophobicContact CD1-CD2 3.41Å; L92-Y378 VanDerWaalsContact CD1-CD2 3.41Å; L92-Y378 HydrophobicContact CD1-CE2 3.66Å; L92-Y378 HydrophobicContact CD1-CG 3.89Å; L92-Y378 HydrophobicContact CD2-CD1 4.08Å; L92-Y378 HydrophobicContact CD2-CD2 4.28Å; L92-Y378 HydrophobicContact CD2-CG 3.89Å
93A78.3Confident76.5Confident88 Ų8881.9 Ų81.973%0.72745%0.451SS*.G310 helixtrans-73-20.6175.500000113.8S91S91-A93 PolarHBondContact O-N 3.42Å; S91-A93 PolarHBondContact OG-N 2.98Å
94D86Confident78.8Confident118 Ų11873.7 Ų73.763%0.63141%0.407SS*.G310 helixtrans-95.3-1.1-177.4-53.8-30.6000111.9V90 S91 L92V90-D94 HydrophobicContact CG1-CB 3.79Å; S91-D94 WeakPolarHBondContact CB-OD2 3.38Å; S91-D94 PolarHBondContact N-OD2 3Å; S91-D94 PolarHBondContact O-N 3.28Å; L92-D94 VanDerWaalsContact C-N 3.31Å
95V90.7Very high80.9Confident33 Ų3371 Ų7120%0.239%0.389CS..SBendtrans-81.6121.3-179177.10000108.5V90 T99 M100 L375V90-V95 HydrophobicContact CG1-CG2 4.23Å; V95-T99 HydrophobicContact CG1-CG2 4.38Å; V95-M100 HydrophobicContact CG1-CE 4.34Å; V95-L375 HydrophobicContact CB-CD2 4.41Å; V95-L375 HydrophobicContact CG1-CD1 3.82Å; V95-L375 HydrophobicContact CG1-CD2 4.01Å; V95-L375 HydrophobicContact CG2-CD2 3.88Å
96S94.2Very high83.2Confident40 Ų4064.9 Ų64.928%0.2836%0.361SS..  trans-64.9145.4178.685.90000111.9V98 T99 M100 E415S96-V98 PolarHBondContact O-N 3.22Å; S96-T99 WeakPolarHBondContact O-CB 3.22Å; S96-T99 PolarHBondContact O-N 2.99Å; S96-T99 WeakPolarHBondContact OG-CB 3.49Å; S96-T99 PolarHBondContact OG-N 3.42Å; S96-T99 VanDerWaalsContact OG-N 3.15Å; S96-T99 PolarHBondContact OG-OG1 3.35Å; S96-M100 PolarHBondContact O-N 3.39Å; S96-E415 VanDerWaalsContact CB-OE2 3.31Å; S96-E415 WeakPolarHBondContact CB-OE2 3.45Å
97S94.8Very high85.3Confident13 Ų1357 Ų579%0.09132%0.32CS..Hα-helixtrans-59.9-36.8176-48.10000110.8T99 M100 L101 E415 Q419S97-T99 VanDerWaalsContact C-N 3.32Å; S97-T99 PolarHBondContact O-N 2.94Å; S97-M100 PolarHBondContact O-N 3.2Å; S97-L101 WeakPolarHBondContact O-CG 3.43Å; S97-L101 PolarHBondContact O-N 3.39Å; S97-E415 WeakPolarHBondContact CA-OE1 3.48Å; S97-E415 WeakPolarHBondContact CB-OE1 3.46Å; S97-E415 PolarHBondContact N-OE1 2.59Å; S97-E415 PolarHBondContact N-OE2 2.9Å; S97-E415 PolarHBondContact OG-OE1 3.32Å; S97-Q419 WeakPolarHBondContact OG-CA 3.28Å; S97-Q419 WeakPolarHBondContact OG-CB 3.45Å
98V95.7Very high87.3Confident17 Ų1753.1 Ų53.110%0.10330%0.296CS..Hα-helixtrans-57.6-44.6172172.20000111.2S96 R102 L410 E415 C418S96-V98 PolarHBondContact O-N 3.22Å; V98-R102 WeakPolarHBondContact O-CB 3.35Å; V98-R102 PolarHBondContact O-N 3.13Å; V98-L410 HydrophobicContact CG1-CD1 4.43Å; V98-E415 VanDerWaalsContact CG2-OE2 3.25Å; V98-E415 WeakPolarHBondContact CG2-OE2 3.37Å; V98-E415 PolarHBondContact N-OE2 3.11Å; V98-E415 VanDerWaalsContact N-OE2 3.11Å; V98-C418 HydrophobicContact CG2-CB 3.94Å; V98-C418 VanDerWaalsContact CG2-SG 3.54Å
99T95Very high89.3Confident53 Ų5353 Ų5333%0.32529%0.285SS..Hα-helixtrans-67.1-42.2179.3-58.20000111.1V95 S96 S97 R102 L103 L375V95-T99 HydrophobicContact CG1-CG2 4.38Å; S96-T99 WeakPolarHBondContact O-CB 3.22Å; S96-T99 PolarHBondContact O-N 2.99Å; S96-T99 WeakPolarHBondContact OG-CB 3.49Å; S96-T99 PolarHBondContact OG-N 3.42Å; S96-T99 VanDerWaalsContact OG-N 3.15Å; S96-T99 PolarHBondContact OG-OG1 3.35Å; S97-T99 VanDerWaalsContact C-N 3.32Å; S97-T99 PolarHBondContact O-N 2.94Å; T99-R102 PolarHBondContact O-N 3.34Å; T99-L103 PolarHBondContact O-N 2.96Å; T99-L375 HydrophobicContact CG2-CD1 4.43Å
100M94.9Very high91Very high18 Ų1845 Ų459%0.08925%0.251CS..Hα-helixtrans-61.4-47.7176.4-167.575.176.100111.8V95 S96 S97 R102 L103 I104 L375 L379 L422V95-M100 HydrophobicContact CG1-CE 4.34Å; S96-M100 PolarHBondContact O-N 3.39Å; S97-M100 PolarHBondContact O-N 3.2Å; M100-R102 PolarHBondContact O-N 3.06Å; M100-L103 PolarHBondContact O-N 3.32Å; M100-I104 HydrophobicContact CG-CD1 4.25Å; M100-I104 WeakPolarHBondContact O-CG1 3.49Å; M100-I104 PolarHBondContact O-N 3.36Å; M100-L375 HydrophobicContact CE-CD2 4.27Å; M100-L379 HydrophobicContact SD-CD1 4.03Å; M100-L379 HydrophobicContact SD-CD2 3.88Å; M100-L379 HydrophobicContact SD-CG 4.19Å; M100-L422 HydrophobicContact CB-CD2 3.97Å; M100-L422 HydrophobicContact CG-CD1 3.93Å; M100-L422 HydrophobicContact CG-CD2 3.82Å
101L95.7Very high92.5Very high0 Ų041.4 Ų41.40%023%0.229CC..Hα-helixtrans-65.7-36.7178.7-71-170.9000112.3S97 L103 I104 A105 Y406 A409 L410 C418 A421 L422S97-L101 WeakPolarHBondContact O-CG 3.43Å; S97-L101 PolarHBondContact O-N 3.39Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 2.78Å; L101-I104 HydrophobicContact CD2-CD1 4.18Å; L101-I104 PolarHBondContact O-N 3.16Å; L101-A105 WeakPolarHBondContact O-CB 3.25Å; L101-A105 PolarHBondContact O-N 2.73Å; L101-Y406 HydrophobicContact CD2-CD2 4.01Å; L101-Y406 HydrophobicContact CD2-CG 4.25Å; L101-A409 HydrophobicContact CD1-CB 4.41Å; L101-L410 HydrophobicContact CB-CB 4.4Å; L101-L410 HydrophobicContact CB-CD1 4.11Å; L101-C418 HydrophobicContact CD1-CB 3.75Å; L101-A421 HydrophobicContact CD1-CB 4.27Å; L101-L422 HydrophobicContact CD2-CB 4.06Å; L101-L422 HydrophobicContact CD2-CD1 3.98Å; L101-L422 HydrophobicContact CG-CB 4.46Å
102R96Very high93.3Very high132 Ų13243.8 Ų43.850%0.49824%0.241SC..Hα-helixtrans-60.7-43.6173.4-170.6-178.6-62.7123.42.1111.5V98 T99 M100 A105 R106 L410V98-R102 WeakPolarHBondContact O-CB 3.35Å; V98-R102 PolarHBondContact O-N 3.13Å; T99-R102 PolarHBondContact O-N 3.34Å; M100-R102 PolarHBondContact O-N 3.06Å; R102-A105 PolarHBondContact O-N 3.41Å; R102-R106 WeakPolarHBondContact O-CB 3.35Å; R102-R106 PolarHBondContact O-N 3.41Å; R102-L410 HydrophobicContact CB-CD1 4.08Å
103L96.2Very high94.3Very high4 Ų446.1 Ų46.12%0.02125%0.25CC..Hα-helixtrans-68.3-36.8178.1-176.262.6000112.7T99 M100 L101 R106 S107 E372 L375 I376 L379T99-L103 PolarHBondContact O-N 2.96Å; M100-L103 PolarHBondContact O-N 3.32Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 2.78Å; L103-R106 PolarHBondContact O-N 2.89Å; L103-S107 WeakPolarHBondContact O-CB 3.39Å; L103-S107 PolarHBondContact O-N 2.87Å; L103-S107 PolarHBondContact O-OG 3.48Å; L103-E372 HydrophobicContact CD1-CB 3.9Å; L103-E372 HydrophobicContact CD1-CG 4.04Å; L103-L375 HydrophobicContact CD2-CB 3.22Å; L103-L375 HydrophobicContact CD2-CD1 3.85Å; L103-L375 HydrophobicContact CD2-CG 4.17Å; L103-I376 HydrophobicContact CD1-CD1 4.06Å; L103-I376 HydrophobicContact CD1-CG1 3.98Å; L103-I376 HydrophobicContact CD2-CG1 4.13Å; L103-I376 HydrophobicContact CG-CG1 4.29Å; L103-L379 HydrophobicContact CD2-CD1 4.17Å
104I95.8Very high95.2Very high0 Ų043.8 Ų43.80%023%0.225CC..Hα-helixtrans-60.3-50172.3-74.6171.1000110.2M100 L101 R106 S107 E108 L379 W382 Y406 L422 L425 I433M100-I104 HydrophobicContact CG-CD1 4.25Å; M100-I104 WeakPolarHBondContact O-CG1 3.49Å; M100-I104 PolarHBondContact O-N 3.36Å; L101-I104 HydrophobicContact CD2-CD1 4.18Å; L101-I104 PolarHBondContact O-N 3.16Å; I104-R106 PolarHBondContact O-N 3.05Å; I104-S107 WeakPolarHBondContact O-CB 3.39Å; I104-S107 PolarHBondContact O-N 2.8Å; I104-E108 PolarHBondContact O-N 3.29Å; I104-E108 VanDerWaalsContact O-N 3.12Å; I104-L379 HydrophobicContact CG1-CD1 4.34Å; I104-W382 HydrophobicContact CD1-CH2 4.15Å; I104-W382 HydrophobicContact CD1-CZ3 4.09Å; I104-Y406 HydrophobicContact CG2-CD2 4.48Å; I104-Y406 HydrophobicContact CG2-CE2 3.87Å; I104-L422 HydrophobicContact CD1-CD1 3.89Å; I104-L425 HydrophobicContact CD1-CD2 4.25Å; I104-I433 HydrophobicContact CG1-CG2 4.2Å; I104-I433 HydrophobicContact CG2-CD1 3.71Å; I104-I433 HydrophobicContact CG2-CG1 4Å
105A95.5Very high95.6Very high13 Ų1341 Ų4111%0.10721%0.21CC..Hα-helixtrans-59-46.2176.500000111.6L101 R102 S107 E108 E109 Y406 L407 L410L101-A105 WeakPolarHBondContact O-CB 3.25Å; L101-A105 PolarHBondContact O-N 2.73Å; R102-A105 PolarHBondContact O-N 3.41Å; A105-S107 VanDerWaalsContact C-N 3.28Å; A105-S107 PolarHBondContact O-N 2.69Å; A105-E108 PolarHBondContact O-N 3.41Å; A105-E109 WeakPolarHBondContact O-CG 3.49Å; A105-E109 PolarHBondContact O-N 3.07Å; A105-Y406 HydrophobicContact CB-CE2 4.42Å; A105-L407 HydrophobicContact CB-CD2 4.08Å; A105-L410 HydrophobicContact CB-CD2 3.91Å
106R96.2Very high95.9Very high61 Ų6139.6 Ų39.623%0.2320%0.201CC..Hα-helixtrans-60.8-36.3176.5-178.557.5-177.9152.55.7112.9R102 L103 I104 E109 L110 A366R102-R106 WeakPolarHBondContact O-CB 3.35Å; R102-R106 PolarHBondContact O-N 3.41Å; L103-R106 PolarHBondContact O-N 2.89Å; I104-R106 PolarHBondContact O-N 3.05Å; R106-E109 WeakPolarHBondContact CD-OE2 3.42Å; R106-E109 IonicContact NH1-OE2 3.99Å; R106-E109 PolarHBondContact NH1-OE2 3.32Å; R106-E109 VanDerWaalsContact NH1-OE2 3.15Å; R106-E109 PolarHBondContact O-N 3.45Å; R106-L110 HydrophobicContact CG-CD1 4.32Å; R106-L110 WeakPolarHBondContact O-CG 3.14Å; R106-L110 PolarHBondContact O-N 3.18Å; R106-A366 PolarHBondContact NH2-O 2.97Å
107S96.7Very high96Very high1 Ų139.5 Ų39.51%0.00720%0.197CC..Hα-helixtrans-66.2-41.6177-60.70000111.5L103 I104 A105 L110 N111 I436L103-S107 WeakPolarHBondContact O-CB 3.39Å; L103-S107 PolarHBondContact O-N 2.87Å; L103-S107 PolarHBondContact O-OG 3.48Å; I104-S107 WeakPolarHBondContact O-CB 3.39Å; I104-S107 PolarHBondContact O-N 2.8Å; A105-S107 VanDerWaalsContact C-N 3.28Å; A105-S107 PolarHBondContact O-N 2.69Å; S107-L110 PolarHBondContact O-N 3.39Å; S107-N111 WeakPolarHBondContact O-CB 3.37Å; S107-N111 PolarHBondContact O-N 2.81Å; S107-I436 VanDerWaalsContact O-CG2 3.28Å; S107-I436 WeakPolarHBondContact O-CG2 3.47Å
108E95.6Very high96Very high15 Ų1546.1 Ų46.17%0.0723%0.227CC..Hα-helixtrans-66.6-38.3175-73.9-75.9169.200112.4I104 A105 N111 T112 R432 I433 I436I104-E108 PolarHBondContact O-N 3.29Å; I104-E108 VanDerWaalsContact O-N 3.12Å; A105-E108 PolarHBondContact O-N 3.41Å; E108-N111 WeakPolarHBondContact O-CB 3.37Å; E108-N111 PolarHBondContact O-N 3.38Å; E108-T112 PolarHBondContact O-N 2.84Å; E108-T112 PolarHBondContact O-OG1 3.04Å; E108-R432 IonicContact OE1-CZ 3.7Å; E108-R432 IonicContact OE1-NE 3.95Å; E108-R432 PolarHBondContact OE1-NE 2.88Å; E108-R432 IonicContact OE2-CZ 2.77Å; E108-R432 IonicContact OE2-NE 3.9Å; E108-R432 PolarHBondContact OE2-NE 3.27Å; E108-R432 IonicContact OE2-NH2 2.97Å; E108-R432 PolarHBondContact OE2-NH2 2.95Å; E108-I433 HydrophobicContact CG-CD1 3.62Å; E108-I433 VanDerWaalsContact OE1-CD1 3.28Å; E108-I433 WeakPolarHBondContact OE1-CD1 3.34Å; E108-I436 VanDerWaalsContact CD-CD1 3.42Å; E108-I436 HydrophobicContact CG-CD1 4.25Å; E108-I436 VanDerWaalsContact OE1-CD1 3.24Å; E108-I436 WeakPolarHBondContact OE1-CD1 3.4Å
109E96Very high95.9Very high106 Ų10648.3 Ų48.350%0.49524%0.236SC..Hα-helixtrans-58.2-52.1172.1-71.6171-172.200111.2A105 R106 N111 T112 E113A105-E109 WeakPolarHBondContact O-CG 3.49Å; A105-E109 PolarHBondContact O-N 3.07Å; R106-E109 WeakPolarHBondContact CD-OE2 3.42Å; R106-E109 IonicContact NH1-OE2 3.99Å; R106-E109 PolarHBondContact NH1-OE2 3.32Å; R106-E109 VanDerWaalsContact NH1-OE2 3.15Å; R106-E109 PolarHBondContact O-N 3.45Å; E109-N111 VanDerWaalsContact C-N 3.28Å; E109-N111 PolarHBondContact O-N 3.19Å; E109-T112 WeakPolarHBondContact O-CB 3.49Å; E109-T112 PolarHBondContact O-N 3.23Å; E109-T112 VanDerWaalsContact O-N 3.09Å; E109-E113 WeakPolarHBondContact O-CB 3.4Å; E109-E113 PolarHBondContact O-N 3.29Å
110L97.5Very high96Very high4 Ų447.4 Ų47.42%0.02123%0.229CC..Hα-helixtrans-61.7-37.1178.1-75.3171.2000112.2R106 S107 T112 L114 A366 I368 L440R106-L110 HydrophobicContact CG-CD1 4.32Å; R106-L110 WeakPolarHBondContact O-CG 3.14Å; R106-L110 PolarHBondContact O-N 3.18Å; S107-L110 PolarHBondContact O-N 3.39Å; L110-T112 VanDerWaalsContact C-N 3.3Å; L110-T112 PolarHBondContact O-N 3.44Å; L110-L114 HydrophobicContact CD2-CD1 4.2Å; L110-L114 WeakPolarHBondContact O-CB 3.15Å; L110-L114 PolarHBondContact O-N 2.84Å; L110-A366 HydrophobicContact CD1-CB 4.27Å; L110-A366 HydrophobicContact CD2-CB 4.24Å; L110-I368 HydrophobicContact CD1-CD1 4.28Å; L110-L440 HydrophobicContact CD1-CD1 3.93Å; L110-L440 HydrophobicContact CD1-CD2 3.9Å
111N97.3Very high96.1Very high10 Ų1050.8 Ų50.85%0.05324%0.243CC..Hα-helixtrans-60.2-42.9174.1174.866.7000111.8S107 E108 E109 N115 L116 I117 I436S107-N111 WeakPolarHBondContact O-CB 3.37Å; S107-N111 PolarHBondContact O-N 2.81Å; E108-N111 WeakPolarHBondContact O-CB 3.37Å; E108-N111 PolarHBondContact O-N 3.38Å; E109-N111 VanDerWaalsContact C-N 3.28Å; E109-N111 PolarHBondContact O-N 3.19Å; N111-N115 CarbonylContact O-C 3.55Å; N111-N115 WeakPolarHBondContact O-CA 3.46Å; N111-N115 PolarHBondContact O-N 3.16Å; N111-L116 HydrophobicContact CB-CB 4.45Å; N111-L116 PolarHBondContact O-N 2.87Å; N111-L116 VanDerWaalsContact O-N 3.08Å; N111-L116 WeakPolarHBondContact OD1-CB 3.36Å; N111-I117 WeakPolarHBondContact OD1-CG1 3.45Å; N111-I117 PolarHBondContact OD1-N 3.1Å; N111-I117 VanDerWaalsContact OD1-N 3.16Å; N111-I436 HydrophobicContact CB-CD1 3.78Å; N111-I436 HydrophobicContact CB-CG1 3.89Å; N111-I436 HydrophobicContact CB-CG2 3.87Å
112T95.9Very high96.2Very high109 Ų10956 Ų5667%0.66927%0.271SS*.Hα-helixtrans-70.3-45.5179.7-52.90000111.1E108 E109 L110E108-T112 PolarHBondContact O-N 2.84Å; E108-T112 PolarHBondContact O-OG1 3.04Å; E109-T112 WeakPolarHBondContact O-CB 3.49Å; E109-T112 PolarHBondContact O-N 3.23Å; E109-T112 VanDerWaalsContact O-N 3.09Å; L110-T112 VanDerWaalsContact C-N 3.3Å; L110-T112 PolarHBondContact O-N 3.44Å
113E96.5Very high96.2Very high134 Ų13450.9 Ų50.963%0.62625%0.253SS*.Hα-helixtrans-63.5-44.1-178.8-177.6-177.5168.400112.5E109E109-E113 WeakPolarHBondContact O-CB 3.4Å; E109-E113 PolarHBondContact O-N 3.29Å
114L96.2Very high96.1Very high39 Ų3951.5 Ų51.520%0.20426%0.258CS..Hα-helixtrans-1010.9-173.4-58.3169.9000113L110 L116 Q119 W361L110-L114 HydrophobicContact CD2-CD1 4.2Å; L110-L114 WeakPolarHBondContact O-CB 3.15Å; L110-L114 PolarHBondContact O-N 2.84Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 HydrophobicContact CB-CD2 3.84Å; L114-L116 HydrophobicContact CB-CG 3.96Å; L114-L116 HydrophobicContact CD1-CD2 4.24Å; L114-L116 PolarHBondContact O-N 3.4Å; L114-Q119 PolarHBondContact O-NE2 2.86Å; L114-W361 HydrophobicContact CD1-CH2 3.42Å; L114-W361 VanDerWaalsContact CD1-CH2 3.42Å; L114-W361 HydrophobicContact CD1-CZ2 3.64Å; L114-W361 HydrophobicContact CD2-CZ2 4.31Å
115N96.3Very high95.8Very high60 Ų6057 Ų5732%0.32129%0.291SS..THydrogen-bonded Turntrans49.748.5-173.8-166.89.9000113.3N111 I117 E118 Q119N111-N115 CarbonylContact O-C 3.55Å; N111-N115 WeakPolarHBondContact O-CA 3.46Å; N111-N115 PolarHBondContact O-N 3.16Å; N115-I117 VanDerWaalsContact C-N 3.32Å; N115-I117 PolarHBondContact O-N 2.9Å; N115-E118 WeakPolarHBondContact OD1-CA 3.22Å; N115-E118 WeakPolarHBondContact OD1-CB 3.2Å; N115-E118 WeakPolarHBondContact OD1-CG 3.37Å; N115-E118 PolarHBondContact OD1-N 2.94Å; N115-E118 PolarHBondContact OD1-OE2 3.12Å; N115-Q119 WeakPolarHBondContact O-CB 3.5Å; N115-Q119 WeakPolarHBondContact O-CG 3.26Å; N115-Q119 PolarHBondContact O-N 3.11Å; N115-Q119 PolarHBondContact O-NE2 3.47Å
116L96.8Very high95.5Very high3 Ų358.3 Ų58.32%0.01631%0.306CS..THydrogen-bonded Turntrans-63.2-34.3-168.1-70179.5000114N111 L114 I436 R439 L440 W443N111-L116 HydrophobicContact CB-CB 4.45Å; N111-L116 PolarHBondContact O-N 2.87Å; N111-L116 VanDerWaalsContact O-N 3.08Å; N111-L116 WeakPolarHBondContact OD1-CB 3.36Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 HydrophobicContact CB-CD2 3.84Å; L114-L116 HydrophobicContact CB-CG 3.96Å; L114-L116 HydrophobicContact CD1-CD2 4.24Å; L114-L116 PolarHBondContact O-N 3.4Å; L116-I436 HydrophobicContact CD1-CG2 4.46Å; L116-R439 HydrophobicContact CB-CB 3.72Å; L116-R439 HydrophobicContact CB-CG 4.29Å; L116-R439 HydrophobicContact CD1-CB 4.34Å; L116-R439 HydrophobicContact CD2-CB 4.46Å; L116-R439 HydrophobicContact CG-CB 4.39Å; L116-R439 WeakPolarHBondContact O-CG 3.5Å; L116-L440 HydrophobicContact CD1-CB 4.02Å; L116-L440 HydrophobicContact CD1-CD1 4.16Å; L116-W443 HydrophobicContact CD2-CB 3.74Å; L116-W443 HydrophobicContact CD2-CD2 4.14Å; L116-W443 HydrophobicContact CD2-CG 3.81Å
117I95.4Very high95.1Very high38 Ų3862.5 Ų62.520%0.19533%0.332CS..THydrogen-bonded Turntrans-91.1-42.9-178.3-67.4-73.4000112.2N111 N115 I120 K435 I436 R439N111-I117 WeakPolarHBondContact OD1-CG1 3.45Å; N111-I117 PolarHBondContact OD1-N 3.1Å; N111-I117 VanDerWaalsContact OD1-N 3.16Å; N115-I117 VanDerWaalsContact C-N 3.32Å; N115-I117 PolarHBondContact O-N 2.9Å; I117-I120 VanDerWaalsContact O-CG1 3.3Å; I117-I120 WeakPolarHBondContact O-CG1 3.37Å; I117-K435 HydrophobicContact CD1-CB 3.66Å; I117-I436 HydrophobicContact CD1-CG1 4.29Å; I117-I436 HydrophobicContact CG1-CG1 3.9Å; I117-R439 HydrophobicContact CD1-CG 3.69Å; I117-R439 HydrophobicContact CG1-CG 4.4Å
118E94Very high94.7Very high152 Ų15263.4 Ų63.471%0.7134%0.337SS*.THydrogen-bonded Turntrans-82.7-17.4-171.8-32.4172.4155.200112.5N115 I120N115-E118 WeakPolarHBondContact OD1-CA 3.22Å; N115-E118 WeakPolarHBondContact OD1-CB 3.2Å; N115-E118 WeakPolarHBondContact OD1-CG 3.37Å; N115-E118 PolarHBondContact OD1-N 2.94Å; N115-E118 PolarHBondContact OD1-OE2 3.12Å; E118-I120 PolarHBondContact O-N 2.93Å
119Q94.8Very high94.3Very high63 Ų6364.5 Ų64.529%0.29434%0.342SS..THydrogen-bonded Turntrans-73.8-5.5174.677.1-179.8-69.700114.4L114 N115 K121L114-Q119 PolarHBondContact O-NE2 2.86Å; N115-Q119 WeakPolarHBondContact O-CB 3.5Å; N115-Q119 WeakPolarHBondContact O-CG 3.26Å; N115-Q119 PolarHBondContact O-N 3.11Å; N115-Q119 PolarHBondContact O-NE2 3.47Å; Q119-K121 PolarHBondContact O-N 3.1Å
120I97.4Very high93.7Very high34 Ų3463.5 Ų63.517%0.17435%0.345CS..  trans-68.6115179.7-57.9-59.9000109.1I117 E118 D122 S460 A462 I473I117-I120 VanDerWaalsContact O-CG1 3.3Å; I117-I120 WeakPolarHBondContact O-CG1 3.37Å; E118-I120 PolarHBondContact O-N 2.93Å; I120-D122 PolarHBondContact O-N 3.47Å; I120-S460 WeakPolarHBondContact CA-O 3.41Å; I120-A462 HydrophobicContact CG2-CB 3.91Å; I120-I473 HydrophobicContact CG2-CD1 3.96Å
121K97.1Very high92.9Very high88 Ų8863.3 Ų63.338%0.38334%0.344SS..EExtended strand (participates in β ladder)trans-65.1123.9172.5-179179.6177.1-178.40109.3Q119 L123 E210 S460 V461 A462Q119-K121 PolarHBondContact O-N 3.1Å; K121-L123 HydrophobicContact CG-CG 4.4Å; K121-L123 PolarHBondContact O-N 2.59Å; K121-E210 IonicContact NZ-OE1 2.59Å; K121-E210 PolarHBondContact NZ-OE1 3.45Å; K121-S460 PolarHBondContact N-O 2.83Å; K121-V461 HydrophobicContact CB-CG2 4.27Å; K121-V461 HydrophobicContact CD-CG2 4.38Å; K121-V461 CarbonylContact O-C 3.26Å; K121-V461 WeakPolarHBondContact O-CA 3.21Å; K121-A462 PolarHBondContact O-N 3.15Å
122D96.7Very high92.3Very high111 Ų11162.8 Ų62.859%0.59434%0.341SS*.EExtended strand (participates in β ladder)trans-85.7104.6179-170.212000111I120 S124I120-D122 PolarHBondContact O-N 3.47Å; D122-S124 WeakPolarHBondContact OD1-CA 3.49Å; D122-S124 WeakPolarHBondContact OD1-CB 3.42Å; D122-S124 PolarHBondContact OD1-N 3.06Å; D122-S124 PolarHBondContact OD1-OG 2.86Å; D122-S124 PolarHBondContact OD2-OG 3.15Å
123L96.7Very high91.7Very high24 Ų2457.8 Ų57.813%0.12631%0.311CS..  trans-11734163.3-64.1-176.7000108.8K121 V125 R205 V206 K209 V461 A462 Y463K121-L123 HydrophobicContact CG-CG 4.4Å; K121-L123 PolarHBondContact O-N 2.59Å; L123-V125 VanDerWaalsContact C-N 3.3Å; L123-V125 PolarHBondContact O-N 3.37Å; L123-R205 VanDerWaalsContact C-NH1 3.32Å; L123-R205 PolarHBondContact O-NH1 3.37Å; L123-R205 PolarHBondContact O-NH2 2.9Å; L123-V206 HydrophobicContact CD1-CG2 4.25Å; L123-K209 HydrophobicContact CD1-CB 3.79Å; L123-K209 HydrophobicContact CD1-CG 4.06Å; L123-V461 HydrophobicContact CB-CG1 3.76Å; L123-V461 HydrophobicContact CD1-CG1 3.81Å; L123-V461 HydrophobicContact CG-CG1 3.84Å; L123-A462 CarbonylContact C-O 3.45Å; L123-A462 VanDerWaalsContact CA-O 3.24Å; L123-A462 WeakPolarHBondContact CA-O 3.43Å; L123-A462 PolarHBondContact N-O 2.5Å; L123-Y463 CarbonylContact O-C 3.52Å; L123-Y463 VanDerWaalsContact O-O 3.09Å
124S93.1Very high90.9Very high16 Ų1654.1 Ų54.111%0.11229%0.293CS..SBendtrans-71-30.6-178.964.60000112.2D122 A462 T464D122-S124 WeakPolarHBondContact OD1-CA 3.49Å; D122-S124 WeakPolarHBondContact OD1-CB 3.42Å; D122-S124 PolarHBondContact OD1-N 3.06Å; D122-S124 PolarHBondContact OD1-OG 2.86Å; D122-S124 PolarHBondContact OD2-OG 3.15Å; S124-A462 PolarHBondContact N-O 3.31Å; S124-T464 VanDerWaalsContact CB-C 3.48Å; S124-T464 WeakPolarHBondContact CB-O 3.42Å
125V90.2Very high90Very high116 Ų11652.3 Ų52.370%0.70328%0.283SS*.SBendtrans-117141.7177.6-175.20000109.9L123 R205 T465L123-V125 VanDerWaalsContact C-N 3.3Å; L123-V125 PolarHBondContact O-N 3.37Å; V125-R205 VanDerWaalsContact C-NH1 3.28Å; V125-R205 PolarHBondContact O-NH1 3.32Å; V125-T465 HydrophobicContact CG2-CG2 4.39Å
126G88.9Confident89.1Confident40 Ų4049.7 Ų49.741%0.41227%0.269SS..SBendtrans152.6171.7177.300000111.7
127D88.4Confident88Confident149 Ų14954.1 Ų54.180%0.79729%0.293SS*.  trans-62.9143.5-174.8-59.9-38.7000112.3R205D127-R205 WeakPolarHBondContact O-CD 3.45Å; D127-R205 PolarHBondContact O-NE 3.31Å
128I87.7Confident86.9Confident21 Ų2154.7 Ų54.711%0.10830%0.296CS..  trans-99141.7170.9-71.7-178.5000107.9I132 Y198I128-I132 HydrophobicContact CG2-CB 3.61Å; I128-I132 HydrophobicContact CG2-CG2 3.6Å; I128-Y198 HydrophobicContact CD1-CD2 3.13Å; I128-Y198 HydrophobicContact CD1-CE2 3.15Å; I128-Y198 HydrophobicContact CD1-CG 4.09Å; I128-Y198 HydrophobicContact CG1-CE2 4.44Å
129H87.3Confident85.4Confident38 Ų3854.1 Ų54.118%0.17629%0.294CS..  trans-44.1130.5177.5-171.9-78.4000111.4L131 I132 S133 I204 S239H129-L131 VanDerWaalsContact C-N 3.27Å; H129-L131 WeakPolarHBondContact ND1-CB 3.13Å; H129-L131 PolarHBondContact ND1-N 3.34Å; H129-L131 PolarHBondContact O-N 3.31Å; H129-L131 VanDerWaalsContact O-N 3.1Å; H129-I132 HydrophobicContact CB-CD1 4.23Å; H129-I132 HydrophobicContact CB-CG1 4.41Å; H129-I132 WeakPolarHBondContact O-CA 3.36Å; H129-I132 WeakPolarHBondContact O-CB 3.39Å; H129-I132 PolarHBondContact O-N 3.2Å; H129-S133 PolarHBondContact O-N 3.41Å; H129-I204 HydrophobicContact CB-CG2 4.32Å; H129-S239 PolarHBondContact CE1-OG 2.79Å
130P84Confident83.7Confident84 Ų8459 Ų5955%0.54531%0.309SS..Hα-helixtrans-51.5-41.5-170.8-31.235.5000114.3I132 S133 F134P130-I132 VanDerWaalsContact C-N 3.29Å; P130-I132 PolarHBondContact O-N 2.81Å; P130-S133 PolarHBondContact O-N 2.91Å; P130-F134 WeakPolarHBondContact O-CB 3.29Å; P130-F134 PolarHBondContact O-N 3.22Å
131L81.1Confident81.9Confident0 Ų058 Ų580%030%0.304CS..Hα-helixtrans-55.5-41.9174.8178.954000113.6H129 T135 W232 N235 Y247 W254H129-L131 VanDerWaalsContact C-N 3.27Å; H129-L131 WeakPolarHBondContact ND1-CB 3.13Å; H129-L131 PolarHBondContact ND1-N 3.34Å; H129-L131 PolarHBondContact O-N 3.31Å; H129-L131 VanDerWaalsContact O-N 3.1Å; L131-T135 WeakPolarHBondContact O-CB 3.41Å; L131-T135 PolarHBondContact O-N 3.14Å; L131-T135 PolarHBondContact O-OG1 2.96Å; L131-W232 HydrophobicContact CD2-CZ3 4.37Å; L131-W232 HydrophobicContact CG-CZ3 4.18Å; L131-N235 HydrophobicContact CD2-CB 3.57Å; L131-Y247 HydrophobicContact CB-CE2 4.46Å; L131-Y247 WeakPolarHBondContact CB-OH 3.24Å; L131-Y247 HydrophobicContact CD1-CD1 4.18Å; L131-Y247 HydrophobicContact CD1-CE1 3.34Å; L131-Y247 HydrophobicContact CD1-CE2 4.44Å; L131-Y247 VanDerWaalsContact CD1-CZ 3.47Å; L131-Y247 WeakPolarHBondContact CD1-OH 3.4Å; L131-Y247 VanDerWaalsContact CD2-OH 3.27Å; L131-Y247 WeakPolarHBondContact CD2-OH 3.29Å; L131-Y247 HydrophobicContact CG-CE1 4.4Å; L131-Y247 WeakPolarHBondContact CG-OH 3.44Å; L131-W254 HydrophobicContact CD1-CH2 3.77Å; L131-W254 HydrophobicContact CD1-CZ2 4.42Å; L131-W254 HydrophobicContact CD1-CZ3 3.84Å; L131-W254 HydrophobicContact CD2-CZ3 3.94Å; L131-W254 HydrophobicContact CG-CH2 4.33Å; L131-W254 HydrophobicContact CG-CZ3 4.15Å
132I84.7Confident80.1Confident0 Ų056.7 Ų56.70%030%0.297CS..Hα-helixtrans-74.9-41.8-178.1-61.8175.7000108.9I128 H129 P130 F134 T135 M136 I197 G201 I204 W232I128-I132 HydrophobicContact CG2-CB 3.61Å; I128-I132 HydrophobicContact CG2-CG2 3.6Å; H129-I132 HydrophobicContact CB-CD1 4.23Å; H129-I132 HydrophobicContact CB-CG1 4.41Å; H129-I132 WeakPolarHBondContact O-CA 3.36Å; H129-I132 WeakPolarHBondContact O-CB 3.39Å; H129-I132 PolarHBondContact O-N 3.2Å; P130-I132 VanDerWaalsContact C-N 3.29Å; P130-I132 PolarHBondContact O-N 2.81Å; I132-F134 PolarHBondContact O-N 3.2Å; I132-T135 PolarHBondContact O-N 3.32Å; I132-M136 HydrophobicContact CG2-CG 4.4Å; I132-M136 HydrophobicContact CG2-SD 4.37Å; I132-M136 VanDerWaalsContact O-CG 3.27Å; I132-M136 WeakPolarHBondContact O-CG 3.41Å; I132-M136 PolarHBondContact O-N 2.99Å; I132-I197 HydrophobicContact CG2-CG2 3.83Å; I132-G201 VanDerWaalsContact CD1-CA 3.45Å; I132-I204 HydrophobicContact CD1-CB 4.49Å; I132-I204 HydrophobicContact CD1-CD1 3.53Å; I132-W232 HydrophobicContact CD1-CB 4.33Å; I132-W232 HydrophobicContact CD1-CD2 4.35Å; I132-W232 HydrophobicContact CD1-CE3 4.13Å; I132-W232 HydrophobicContact CD1-CG 4.46Å; I132-W232 HydrophobicContact CG1-CD2 4.13Å; I132-W232 HydrophobicContact CG1-CE3 3.56Å; I132-W232 HydrophobicContact CG1-CZ3 3.91Å
133S83.4Confident78Confident4 Ų455.1 Ų55.13%0.02829%0.293CS..Hα-helixtrans-56.4-50.1173-179.50000111.7H129 P130 T135 M136 N137 F182H129-S133 PolarHBondContact O-N 3.41Å; P130-S133 PolarHBondContact O-N 2.91Å; S133-T135 VanDerWaalsContact C-N 3.32Å; S133-T135 PolarHBondContact O-N 2.85Å; S133-M136 WeakPolarHBondContact O-CB 3.29Å; S133-M136 PolarHBondContact O-N 3.3Å; S133-M136 VanDerWaalsContact O-N 3.1Å; S133-N137 PolarHBondContact O-N 3.4Å; S133-F182 PolarHBondContact OG-O 2.78Å
134F78.5Confident75.7Confident57 Ų5754.3 Ų54.325%0.2529%0.29CS..Hα-helixtrans-53.7-47.7174.2176.2-96.8000112P130 I132 M136 N137 N138 H141 F182P130-F134 WeakPolarHBondContact O-CB 3.29Å; P130-F134 PolarHBondContact O-N 3.22Å; I132-F134 PolarHBondContact O-N 3.2Å; F134-M136 VanDerWaalsContact C-N 3.34Å; F134-M136 PolarHBondContact O-N 2.97Å; F134-N137 PolarHBondContact O-N 2.69Å; F134-N138 PolarHBondContact O-N 2.82Å; F134-H141 AromaticContact CE1-CD2 3.89Å; F134-H141 AromaticContact CE1-NE2 3.75Å; F134-F182 HydrophobicContact CB-CE1 4.41Å
135T77.2Confident73.2Confident0 Ų056.3 Ų56.30%030%0.304CS..Hα-helixtrans-65.1-37179.2-55.80000112.3L131 I132 S133 N137 N138 H141 W142 W232 W254L131-T135 WeakPolarHBondContact O-CB 3.41Å; L131-T135 PolarHBondContact O-N 3.14Å; L131-T135 PolarHBondContact O-OG1 2.96Å; I132-T135 PolarHBondContact O-N 3.32Å; S133-T135 VanDerWaalsContact C-N 3.32Å; S133-T135 PolarHBondContact O-N 2.85Å; T135-N137 PolarHBondContact O-N 3.35Å; T135-N138 CarbonylContact O-C 3.53Å; T135-N138 PolarHBondContact O-N 3.42Å; T135-N138 VanDerWaalsContact O-N 3.08Å; T135-H141 HydrophobicContact CG2-CB 3.47Å; T135-H141 VanDerWaalsContact CG2-CB 3.47Å; T135-W142 PolarHBondContact O-NE1 3.25Å; T135-W232 HydrophobicContact CG2-CH2 3.45Å; T135-W232 VanDerWaalsContact CG2-CH2 3.45Å; T135-W232 HydrophobicContact CG2-CZ2 3.97Å; T135-W232 WeakPolarHBondContact OG1-CH2 3.23Å; T135-W254 WeakPolarHBondContact OG1-CH2 3.22Å
136M78.6Confident71Confident6 Ų651 Ų513%0.0327%0.272CS..Hα-helixtrans-63.2-32.6178-75.7-172.465.500112.5I132 S133 F134 N138 V184 V189 I197 Y198I132-M136 HydrophobicContact CG2-CG 4.4Å; I132-M136 HydrophobicContact CG2-SD 4.37Å; I132-M136 VanDerWaalsContact O-CG 3.27Å; I132-M136 WeakPolarHBondContact O-CG 3.41Å; I132-M136 PolarHBondContact O-N 2.99Å; S133-M136 WeakPolarHBondContact O-CB 3.29Å; S133-M136 PolarHBondContact O-N 3.3Å; S133-M136 VanDerWaalsContact O-N 3.1Å; F134-M136 VanDerWaalsContact C-N 3.34Å; F134-M136 PolarHBondContact O-N 2.97Å; M136-N138 VanDerWaalsContact C-N 3.34Å; M136-V184 HydrophobicContact CB-CG2 4.26Å; M136-V184 HydrophobicContact CE-CB 4.45Å; M136-V184 HydrophobicContact CE-CG1 3.29Å; M136-V184 HydrophobicContact CE-CG2 4.31Å; M136-V184 HydrophobicContact SD-CG1 3.86Å; M136-V184 HydrophobicContact SD-CG2 3.97Å; M136-V189 HydrophobicContact CE-CB 4.3Å; M136-V189 HydrophobicContact CE-CG1 3.83Å; M136-V189 HydrophobicContact CE-CG2 3.4Å; M136-I197 HydrophobicContact CG-CB 4.48Å; M136-I197 HydrophobicContact CG-CG2 3.71Å; M136-I197 HydrophobicContact SD-CG2 4.49Å; M136-Y198 HydrophobicContact CE-CD2 3.69Å; M136-Y198 HydrophobicContact CE-CG 4.1Å; M136-Y198 HydrophobicContact SD-CD2 3.8Å; M136-Y198 HydrophobicContact SD-CG 4.31Å
137N73.7Confident68.6Low96 Ų9652 Ų5251%0.51327%0.265SS..Hα-helixtrans-81.3-10.9175.7-69.8-27000113.5S133 F134 T135 N181S133-N137 PolarHBondContact O-N 3.4Å; F134-N137 PolarHBondContact O-N 2.69Å; T135-N137 PolarHBondContact O-N 3.35Å; N137-N181 PolarHBondContact ND2-O 2.59Å
138N70.7Confident65.9Low50 Ų5051 Ų5127%0.26727%0.267SS..  trans-128.2101.8-178.8-174.1-19.7000112.8F134 T135 M136 R140 H141F134-N138 PolarHBondContact O-N 2.82Å; T135-N138 CarbonylContact O-C 3.53Å; T135-N138 PolarHBondContact O-N 3.42Å; T135-N138 VanDerWaalsContact O-N 3.08Å; M136-N138 VanDerWaalsContact C-N 3.34Å; N138-R140 PolarHBondContact O-N 3.35Å; N138-R140 VanDerWaalsContact O-N 3.09Å; N138-R140 WeakPolarHBondContact OD1-CB 3.31Å; N138-R140 PolarHBondContact OD1-N 3.34Å; N138-R140 VanDerWaalsContact OD1-N 3.14Å; N138-H141 PolarHBondContact ND2-CD2 2.68Å; N138-H141 VanDerWaalsContact ND2-CD2 3.32Å; N138-H141 PolarHBondContact ND2-NE2 3.31Å; N138-H141 PolarHBondContact O-N 2.91Å
139Q63.6Low63.3Low140 Ų14053.6 Ų53.665%0.65430%0.299SS*.G310 helixtrans-53.3-31.6-178.2-81.5-174.48.300114.5H141 W142Q139-H141 PolarHBondContact O-N 3.06Å; Q139-H141 VanDerWaalsContact O-N 3.15Å; Q139-W142 HydrophobicContact CB-CH2 4.48Å; Q139-W142 HydrophobicContact CB-CZ2 4.29Å; Q139-W142 HydrophobicContact CG-CD2 4.35Å; Q139-W142 HydrophobicContact CG-CE3 4.32Å; Q139-W142 HydrophobicContact CG-CH2 3.36Å; Q139-W142 HydrophobicContact CG-CZ2 3.39Å; Q139-W142 HydrophobicContact CG-CZ3 3.88Å; Q139-W142 PolarHBondContact O-N 3.26Å
140R59Low60.8Low166 Ų16655.6 Ų55.663%0.62631%0.31SS*.G310 helixtrans-65.2-20.1-177.1-59.9-174.7177.9-157.83.9112.1N138 F147N138-R140 PolarHBondContact O-N 3.35Å; N138-R140 VanDerWaalsContact O-N 3.09Å; N138-R140 WeakPolarHBondContact OD1-CB 3.31Å; N138-R140 PolarHBondContact OD1-N 3.34Å; N138-R140 VanDerWaalsContact OD1-N 3.14Å; R140-F147 HydrophobicContact CB-CD2 4.43Å; R140-F147 HydrophobicContact CB-CE1 4.37Å; R140-F147 HydrophobicContact CB-CE2 3.4Å; R140-F147 VanDerWaalsContact CB-CE2 3.4Å; R140-F147 HydrophobicContact CB-CZ 3.4Å; R140-F147 HydrophobicContact CG-CE2 4.48Å; R140-F147 HydrophobicContact CG-CZ 4.02Å
141H59.6Low58.5Low13 Ų1360.8 Ų60.86%0.0632%0.324CS..G310 helixtrans-93.1-1.4-179.7-65.3-69.8000115F134 T135 N138 Q139 C143 F147 W254F134-H141 AromaticContact CE1-CD2 3.89Å; F134-H141 AromaticContact CE1-NE2 3.75Å; T135-H141 HydrophobicContact CG2-CB 3.47Å; T135-H141 VanDerWaalsContact CG2-CB 3.47Å; N138-H141 PolarHBondContact ND2-CD2 2.68Å; N138-H141 VanDerWaalsContact ND2-CD2 3.32Å; N138-H141 PolarHBondContact ND2-NE2 3.31Å; N138-H141 PolarHBondContact O-N 2.91Å; Q139-H141 PolarHBondContact O-N 3.06Å; Q139-H141 VanDerWaalsContact O-N 3.15Å; H141-C143 PolarHBondContact O-N 3.15Å; H141-F147 AromaticContact CE1-CD2 3.57Å; H141-F147 AromaticContact CE1-CE2 3.38Å; H141-F147 WeakPolarHBondContact CE1-CE2 3.17Å; H141-F147 AromaticContact ND1-CD2 3.74Å; H141-F147 AromaticContact ND1-CE2 3.78Å; H141-F147 AromaticContact NE2-CE2 3.68Å; H141-W254 HydrophobicContact CB-CZ2 3.9Å; H141-W254 AromaticContact CE1-NE1 3.76Å; H141-W254 AromaticContact CG-CZ2 3.91Å; H141-W254 AromaticContact ND1-CE2 3.73Å; H141-W254 AromaticContact ND1-CZ2 3.59Å; H141-W254 AromaticContact ND1-NE1 3.27Å; H141-W254 PolarHBondContact ND1-NE1 3.46Å
142W58.9Low56.6Low60 Ų6067.4 Ų67.423%0.22736%0.355CS..  trans-74.5-10.5-179.6-60.8-0.7000113.7T135 Q139 K194 I197T135-W142 PolarHBondContact O-NE1 3.25Å; Q139-W142 HydrophobicContact CB-CH2 4.48Å; Q139-W142 HydrophobicContact CB-CZ2 4.29Å; Q139-W142 HydrophobicContact CG-CD2 4.35Å; Q139-W142 HydrophobicContact CG-CE3 4.32Å; Q139-W142 HydrophobicContact CG-CH2 3.36Å; Q139-W142 HydrophobicContact CG-CZ2 3.39Å; Q139-W142 HydrophobicContact CG-CZ3 3.88Å; Q139-W142 PolarHBondContact O-N 3.26Å; W142-K194 HydrophobicContact CH2-CD 3.75Å; W142-K194 HydrophobicContact CH2-CG 3.23Å; W142-K194 HydrophobicContact CZ2-CD 3.85Å; W142-K194 HydrophobicContact CZ2-CG 3.36Å; W142-K194 HydrophobicContact CZ3-CG 3.89Å; W142-I197 HydrophobicContact CB-CD1 3.82Å; W142-I197 VanDerWaalsContact CD1-CD1 3.43Å; W142-I197 HydrophobicContact CD2-CD1 4.18Å; W142-I197 HydrophobicContact CG-CD1 3.52Å
143C52.8Low54.4Low77 Ų7770.4 Ų70.452%0.5237%0.37SS..SBendtrans-81.2137-171.6-128.70000111.2H141 S145 G146H141-C143 PolarHBondContact O-N 3.15Å; C143-S145 PolarHBondContact O-N 2.96Å; C143-G146 PolarHBondContact O-N 3.5Å
144S47.5Very low51.9Low8 Ų875 Ų756%0.05640%0.4CS..THydrogen-bonded Turntrans-53.7-20.2172.653.20000114.3F273S144-F273 VanDerWaalsContact CB-O 3.29Å; S144-F273 WeakPolarHBondContact CB-O 3.38Å
145S40.4Very low49.9Very low58 Ų5877.4 Ų77.441%0.40642%0.424SS..THydrogen-bonded Turntrans-108.110.9-177.6-42.60000112.7C143 R278C143-S145 PolarHBondContact O-N 2.96Å; S145-R278 PolarHBondContact O-NH1 3.18Å; S145-R278 VanDerWaalsContact O-NH1 3.09Å; S145-R278 PolarHBondContact O-NH2 2.68Å
146G44.9Very low47.8Very low4 Ų486.9 Ų86.94%0.04147%0.465CS..  trans-2.5111.2-170.800000116.4C143 R278C143-G146 PolarHBondContact O-N 3.5Å; G146-R278 PolarHBondContact O-NH1 3.31Å; G146-R278 PolarHBondContact O-NH2 2.91Å
147F38.6Very low45.4Very low60 Ų6094.3 Ų94.326%0.26350%0.504SS..  trans45.796.9-177.5-82.2-82.9000115.9R140 H141 G149R140-F147 HydrophobicContact CB-CD2 4.43Å; R140-F147 HydrophobicContact CB-CE1 4.37Å; R140-F147 HydrophobicContact CB-CE2 3.4Å; R140-F147 VanDerWaalsContact CB-CE2 3.4Å; R140-F147 HydrophobicContact CB-CZ 3.4Å; R140-F147 HydrophobicContact CG-CE2 4.48Å; R140-F147 HydrophobicContact CG-CZ 4.02Å; H141-F147 AromaticContact CE1-CD2 3.57Å; H141-F147 AromaticContact CE1-CE2 3.38Å; H141-F147 WeakPolarHBondContact CE1-CE2 3.17Å; H141-F147 AromaticContact ND1-CD2 3.74Å; H141-F147 AromaticContact ND1-CE2 3.78Å; H141-F147 AromaticContact NE2-CE2 3.68Å; F147-G149 PolarHBondContact O-N 3.23Å; F147-G149 VanDerWaalsContact O-N 3.08Å
148P32Very low43.2Very low130 Ų13098.3 Ų98.384%0.84452%0.52SS*.THydrogen-bonded Turntrans-64.1107152.927.8-28.3000107.6
149G33.8Very low41.1Very low74 Ų74100.8 Ų100.876%0.76354%0.541SS*.THydrogen-bonded Turntrans150.5-8.9167.500000119.4F147F147-G149 PolarHBondContact O-N 3.23Å; F147-G149 VanDerWaalsContact O-N 3.08Å
150I33.6Very low39.5Very low81 Ų81101 Ų10142%0.41555%0.547SS..  trans-111.8122.2-176-59.8171.8000110.4I253I150-I253 HydrophobicContact CG2-CD1 4.3Å; I150-I253 HydrophobicContact CG2-CG1 3.42Å; I150-I253 VanDerWaalsContact CG2-CG1 3.42Å
151K36Very low38Very low193 Ų193101 Ų10184%0.83956%0.56SS**  trans-66.2139.4178.1-66.3177.8178.4177.80110
152E41.5Very low36.5Very low138 Ų138106.7 Ų106.765%0.64560%0.595SS**  trans-51.6154.6-175.6-66.4149.2-159.300114P154E152-P154 WeakPolarHBondContact O-CD 3.38Å
153I37.7Very low34.9Very low64 Ų64110.4 Ų110.433%0.32862%0.624SS.*  trans-85.4112.8149.2-72.5156.3000105.4F250 I253I153-F250 HydrophobicContact CD1-CD2 4.18Å; I153-I253 HydrophobicContact CB-CG2 4.24Å; I153-I253 HydrophobicContact CD1-CB 4.16Å; I153-I253 HydrophobicContact CD1-CD1 4.08Å; I153-I253 HydrophobicContact CD1-CG2 3.56Å; I153-I253 HydrophobicContact CG1-CD1 3.84Å; I153-I253 HydrophobicContact CG1-CG2 3.74Å
154P30.5Very low33.8Very low100 Ų100114.5 Ų114.565%0.64964%0.64SS**  trans-56.7142.3171.8-21.933.2000109.9E152 F156E152-P154 WeakPolarHBondContact O-CD 3.38Å; P154-F156 PolarHBondContact O-N 3.04Å
155S38.2Very low32.7Very low107 Ų107121.5 Ų121.575%0.74868%0.677SS**  trans-47.4126.2174.849.90000109.8L157S155-L157 PolarHBondContact O-N 3.48Å
156F32.5Very low32Very low199 Ų199123.9 Ų123.987%0.87369%0.694SS**SBendtrans-68.450.3-169.8-162.8-97.9000113.8P154P154-F156 PolarHBondContact O-N 3.04Å
157L28.6Very low31Very low162 Ų162128.9 Ų128.985%0.84873%0.728SS**  trans-112.610172.1-79.7177.5000113.3S155S155-L157 PolarHBondContact O-N 3.48Å
158Q27.4Very low30.2Very low180 Ų180133.4 Ų133.484%0.84176%0.755SS**  trans-131.9102.8168.4-69.3-177.3-5.700109D160Q158-D160 PolarHBondContact O-N 3.27Å
159S26.9Very low30.1Very low103 Ų103134.8 Ų134.872%0.7276%0.756SS**  trans-49.7125.214849.50000108
160D28.3Very low29.6Very low143 Ų143141.5 Ų141.577%0.76576%0.764SS**  -177.8139.1124.5-83.1-15.5000110.2Q158 T162Q158-D160 PolarHBondContact O-N 3.27Å; D160-T162 PolarHBondContact O-N 2.75Å
161D28.5Very low29.2Very low168 Ų168143.7 Ų143.790%0.89878%0.781SS**  trans-49.7119.9-175.5-70.4-50.8000113.1
162T28.6Very low28.8Very low131 Ų131141.1 Ų141.180%0.80478%0.776SS**  trans-131.2110.4160.728.70000111D160 L164D160-T162 PolarHBondContact O-N 2.75Å; T162-L164 PolarHBondContact O-N 2.95Å
163T24.5Very low28Very low138 Ų138143.4 Ų143.485%0.84779%0.787SS**  trans-64.9113.817436.90000110.5N165T163-N165 PolarHBondContact O-N 3.3Å
164L29.4Very low27.5Very low163 Ų163147.5 Ų147.585%0.85381%0.809SS**  trans-75.4106.5176-88.7149.7000110.3T162 S166T162-L164 PolarHBondContact O-N 2.95Å; L164-S166 PolarHBondContact O-N 3.31Å
165N24.9Very low27.5Very low156 Ų156148.1 Ų148.183%0.83481%0.811SS**  trans-65125.2170.2-92-27.1000111.2T163T163-N165 PolarHBondContact O-N 3.3Å
166S25.8Very low26.9Very low108 Ų108151.5 Ų151.576%0.75582%0.821SS**  trans-68.1122.6170.456.30000111.3L164L164-S166 PolarHBondContact O-N 3.31Å
167S23.3Very low26.9Very low109 Ų109148.2 Ų148.276%0.76281%0.812SS**  trans-162.1109.7154.1-79.60000111.2
168N23.1Very low27Very low154 Ų154144.1 Ų144.182%0.82480%0.797SS**  trans55.989.9147.2-60.7-22.9000118.8
169D28.1Very low27.6Very low160 Ų160143.8 Ų143.886%0.85680%0.795SS**  trans-132.3122.2140.4-89.1-38.6000109.1V171D169-V171 PolarHBondContact O-N 2.87Å
170K23.3Very low28Very low215 Ų215146 Ų14694%0.93580%0.799SS**  trans-63.3104.6177.2-74.2179.2174.9179.20108.5D172K170-D172 PolarHBondContact O-N 2.91Å
171V27.1Very low28.6Very low127 Ų127144 Ų14477%0.7779%0.788SS**  trans-71.4116.8168.8-179.60000107.5D169 Q173D169-V171 PolarHBondContact O-N 2.87Å; V171-Q173 PolarHBondContact O-N 3.11Å
172D27.5Very low29.6Very low138 Ų138141.3 Ų141.374%0.73877%0.769SS**  trans-51.4109.1166.8-87.7-35.5000108.7K170 D174K170-D172 PolarHBondContact O-N 2.91Å; D172-D174 PolarHBondContact O-N 2.92Å
173Q24.8Very low30.7Very low186 Ų186139.5 Ų139.587%0.86976%0.761SS**  trans-76.474.4170.8-74.5-178.9-12.200108.8V171V171-Q173 PolarHBondContact O-N 3.11Å
174D26.6Very low32.3Very low151 Ų151134.4 Ų134.481%0.80773%0.73SS**  trans-15878163-94.3-29.8000109.2D172D172-D174 PolarHBondContact O-N 2.92Å
175T29.3Very low33.7Very low112 Ų112129.8 Ų129.869%0.68771%0.706SS**  trans-171.594.114814.40000108.6L177T175-L177 HydrophobicContact CG2-CD1 4.37Å; T175-L177 HydrophobicContact CG2-CG 4.24Å; T175-L177 PolarHBondContact O-N 3.2Å
176N25.7Very low35.3Very low178 Ų178124.6 Ų124.695%0.95268%0.681SS**  trans-64.880.4156.5-80.4-35.4000107.8S178N176-S178 PolarHBondContact O-N 3.15Å
177L33Very low36.7Very low131 Ų131126.4 Ų126.469%0.68668%0.678SS**  trans-83.492.6167.3-76.5160.3000106.6T175 E179T175-L177 HydrophobicContact CG2-CD1 4.37Å; T175-L177 HydrophobicContact CG2-CG 4.24Å; T175-L177 PolarHBondContact O-N 3.2Å; L177-E179 PolarHBondContact O-N 3.02Å
178S31.7Very low38.5Very low75 Ų75128 Ų12852%0.52467%0.672SS.*  trans-54.7134.3165.553.40000109.6N176 D180N176-S178 PolarHBondContact O-N 3.15Å; S178-D180 PolarHBondContact O-N 3.04Å
179E39.6Very low40.5Very low174 Ų174120.8 Ų120.881%0.81363%0.634SS**THydrogen-bonded Turntrans-58.5-10.5-169.1-67.1179.3150.600115.5L177 F182L177-E179 PolarHBondContact O-N 3.02Å; E179-F182 WeakPolarHBondContact O-CE2 3.5Å
180D34.8Very low42.2Very low148 Ų148116.3 Ų116.379%0.79161%0.609SS**THydrogen-bonded Turntrans-101.24.6-171.9-70.9-33.7000116.4S178 F182S178-D180 PolarHBondContact O-N 3.04Å; D180-F182 VanDerWaalsContact C-N 3.35Å; D180-F182 PolarHBondContact O-N 2.81Å
181N41.4Very low44.2Very low101 Ų101116.1 Ų116.154%0.5460%0.603SS.*  trans-91.238.4-177.5-83.2-21.2000115.2N137 S183N137-N181 PolarHBondContact ND2-O 2.59Å; N181-S183 PolarHBondContact O-N 2.95Å
182F49.2Very low46.2Very low113 Ų113112.4 Ų112.450%0.49659%0.59SS.*  trans-75.6-0.1171.3-71.6-78.8000113.9S133 F134 E179 D180 V184S133-F182 PolarHBondContact OG-O 2.78Å; F134-F182 HydrophobicContact CB-CE1 4.41Å; E179-F182 WeakPolarHBondContact O-CE2 3.5Å; D180-F182 VanDerWaalsContact C-N 3.35Å; D180-F182 PolarHBondContact O-N 2.81Å; F182-V184 PolarHBondContact O-N 3.12Å
183S52Low48.3Very low93 Ų93108.9 Ų108.965%0.6558%0.576SS**  trans-72.2116.2175.565.60000111N181N181-S183 PolarHBondContact O-N 2.95Å
184V57.1Low51Low30 Ų30103.1 Ų103.118%0.18255%0.548CS..  trans-87.1111.7169.9175.30000108.6M136 F182 P186 V189 Y198M136-V184 HydrophobicContact CB-CG2 4.26Å; M136-V184 HydrophobicContact CE-CB 4.45Å; M136-V184 HydrophobicContact CE-CG1 3.29Å; M136-V184 HydrophobicContact CE-CG2 4.31Å; M136-V184 HydrophobicContact SD-CG1 3.86Å; M136-V184 HydrophobicContact SD-CG2 3.97Å; F182-V184 PolarHBondContact O-N 3.12Å; V184-P186 VanDerWaalsContact O-CD 3.25Å; V184-P186 WeakPolarHBondContact O-CD 3.46Å; V184-V189 HydrophobicContact CG1-CG2 3.75Å; V184-Y198 HydrophobicContact CG1-CD2 3.82Å; V184-Y198 HydrophobicContact CG1-CE2 3.89Å
185N60Low53.8Low67 Ų67100.1 Ų100.136%0.35853%0.526SS..  trans-71.8116.5170.8-177-16.3000109.9E187 H188 V189N185-E187 PolarHBondContact O-N 2.85Å; N185-E187 WeakPolarHBondContact OD1-CB 3.47Å; N185-E187 PolarHBondContact OD1-N 3.29Å; N185-H188 PolarHBondContact O-N 3.15Å; N185-V189 WeakPolarHBondContact O-CG2 3.36Å
186P57Low56.5Low47 Ų4798.3 Ų98.331%0.30551%0.509SS..G310 helixtrans-57.1-30178.8-23.834.9000114.1V184 H188 V189V184-P186 VanDerWaalsContact O-CD 3.25Å; V184-P186 WeakPolarHBondContact O-CD 3.46Å; P186-H188 VanDerWaalsContact C-N 3.29Å; P186-H188 PolarHBondContact O-N 2.86Å; P186-V189 WeakPolarHBondContact O-CB 3.5Å; P186-V189 PolarHBondContact O-N 2.77Å; P186-V189 VanDerWaalsContact O-N 3.14Å
187E56.7Low59.4Low146 Ų14690.3 Ų90.368%0.68247%0.466SS*.G310 helixtrans-64.5-32.6-178.8-62.7-174.8162.700112.5N185 V189 I190N185-E187 PolarHBondContact O-N 2.85Å; N185-E187 WeakPolarHBondContact OD1-CB 3.47Å; N185-E187 PolarHBondContact OD1-N 3.29Å; E187-V189 PolarHBondContact O-N 2.89Å; E187-I190 WeakPolarHBondContact O-CD1 3.45Å; E187-I190 WeakPolarHBondContact O-CG1 3.39Å
188H61Low62.1Low141 Ų14184.6 Ų84.665%0.65344%0.436SS*.G310 helixtrans-78.5-3.9178.9-68.3149.6000114N185 P186N185-H188 PolarHBondContact O-N 3.15Å; P186-H188 VanDerWaalsContact C-N 3.29Å; P186-H188 PolarHBondContact O-N 2.86Å
189V65.3Low65Low4 Ų481.1 Ų81.12%0.02441%0.411CS..G310 helixtrans-104.7-5.4-167.5179.80000112.8M136 V184 N185 P186 E187 R191 R195 Y198M136-V189 HydrophobicContact CE-CB 4.3Å; M136-V189 HydrophobicContact CE-CG1 3.83Å; M136-V189 HydrophobicContact CE-CG2 3.4Å; V184-V189 HydrophobicContact CG1-CG2 3.75Å; N185-V189 WeakPolarHBondContact O-CG2 3.36Å; P186-V189 WeakPolarHBondContact O-CB 3.5Å; P186-V189 PolarHBondContact O-N 2.77Å; P186-V189 VanDerWaalsContact O-N 3.14Å; E187-V189 PolarHBondContact O-N 2.89Å; V189-R191 PolarHBondContact O-N 2.86Å; V189-R195 VanDerWaalsContact O-CA 3.22Å; V189-R195 WeakPolarHBondContact O-CA 3.3Å; V189-R195 WeakPolarHBondContact O-CB 3.28Å; V189-R195 PolarHBondContact O-N 2.92Å; V189-Y198 HydrophobicContact CB-CG 4.35Å; V189-Y198 HydrophobicContact CG1-CD1 3.74Å; V189-Y198 HydrophobicContact CG1-CD2 3.94Å; V189-Y198 HydrophobicContact CG1-CG 3.38Å; V189-Y198 HydrophobicContact CG2-CD2 4.27Å
190I62.8Low67.6Low65 Ų6573.2 Ų73.233%0.33338%0.375SS..SBendtrans-63.9-11.3-168.1-60.7172.7000113.6E187E187-I190 WeakPolarHBondContact O-CD1 3.45Å; E187-I190 WeakPolarHBondContact O-CG1 3.39Å
191R66.1Low70.4Confident212 Ų21266.2 Ų66.280%0.834%0.337SS*.SBendtrans-131.6148.7-173.7-60.2-176.4-177.5174.22.2114.5V189V189-R191 PolarHBondContact O-N 2.86Å
192G69.3Low73.1Confident48 Ų4861.4 Ų61.450%0.49531%0.311SS..Hα-helixtrans68-153168.100000115.1K194 R195G192-K194 VanDerWaalsContact C-N 3.28Å; G192-K194 PolarHBondContact O-N 3.48Å; G192-R195 WeakPolarHBondContact O-CB 3.35Å; G192-R195 PolarHBondContact O-N 2.77Å
193S71.6Confident75.4Confident64 Ų6456 Ų5645%0.44829%0.288SS..Hα-helixtrans-61.6-32.9-177.7-59.10000113.2R195 H196 I197S193-R195 VanDerWaalsContact C-N 3.29Å; S193-R195 PolarHBondContact O-N 3.44Å; S193-H196 PolarHBondContact O-N 3.12Å; S193-H196 VanDerWaalsContact O-N 3.16Å; S193-I197 PolarHBondContact O-N 3.44Å
194K80.5Confident77.5Confident66 Ų6651.6 Ų51.629%0.28726%0.257SS..Hα-helixtrans-55-44.7176-71.7-165.6-179.5-167.20111.7W142 G192 H196 I197 Y198W142-K194 HydrophobicContact CH2-CD 3.75Å; W142-K194 HydrophobicContact CH2-CG 3.23Å; W142-K194 HydrophobicContact CZ2-CD 3.85Å; W142-K194 HydrophobicContact CZ2-CG 3.36Å; W142-K194 HydrophobicContact CZ3-CG 3.89Å; G192-K194 VanDerWaalsContact C-N 3.28Å; G192-K194 PolarHBondContact O-N 3.48Å; K194-H196 VanDerWaalsContact C-N 3.3Å; K194-H196 PolarHBondContact O-N 3.13Å; K194-I197 PolarHBondContact O-N 2.82Å; K194-Y198 WeakPolarHBondContact O-CB 3.33Å; K194-Y198 PolarHBondContact O-N 3.46Å
195R84.7Confident79.4Confident88 Ų8850.6 Ų50.633%0.33225%0.25SC..Hα-helixtrans-55.4-45.4178.4-169.2178.561.4-170.41.8112.2V189 G192 S193 Y198 Q199 V468V189-R195 VanDerWaalsContact O-CA 3.22Å; V189-R195 WeakPolarHBondContact O-CA 3.3Å; V189-R195 WeakPolarHBondContact O-CB 3.28Å; V189-R195 PolarHBondContact O-N 2.92Å; G192-R195 WeakPolarHBondContact O-CB 3.35Å; G192-R195 PolarHBondContact O-N 2.77Å; S193-R195 VanDerWaalsContact C-N 3.29Å; S193-R195 PolarHBondContact O-N 3.44Å; R195-Y198 PolarHBondContact O-N 3.07Å; R195-Q199 WeakPolarHBondContact O-CB 3.38Å; R195-Q199 VanDerWaalsContact O-CG 3.26Å; R195-Q199 WeakPolarHBondContact O-CG 3.22Å; R195-Q199 PolarHBondContact O-N 3.2Å; R195-V468 HydrophobicContact CG-CG1 4.25Å
196H86.1Confident81.2Confident73 Ų7347.4 Ų47.434%0.33823%0.233SC..Hα-helixtrans-66.8-39.4-178.5-72.4-80.2000112.4S193 K194 N200 K315S193-H196 PolarHBondContact O-N 3.12Å; S193-H196 VanDerWaalsContact O-N 3.16Å; K194-H196 VanDerWaalsContact C-N 3.3Å; K194-H196 PolarHBondContact O-N 3.13Å; H196-N200 VanDerWaalsContact O-CG 3.22Å; H196-N200 PolarHBondContact O-N 2.88Å; H196-N200 VanDerWaalsContact O-N 3.15Å; H196-N200 PolarHBondContact O-ND2 3.44Å; H196-N200 PolarHBondContact O-OD1 3.23Å; H196-K315 PolarHBondContact O-NZ 2.97Å
197I86.8Confident83.2Confident11 Ų1145.2 Ų45.26%0.05622%0.218CC..Hα-helixtrans-65.2-49177.1-64.7170.5000110I132 M136 W142 S193 K194 Q199 N200 G201 W232I132-I197 HydrophobicContact CG2-CG2 3.83Å; M136-I197 HydrophobicContact CG-CB 4.48Å; M136-I197 HydrophobicContact CG-CG2 3.71Å; M136-I197 HydrophobicContact SD-CG2 4.49Å; W142-I197 HydrophobicContact CB-CD1 3.82Å; W142-I197 VanDerWaalsContact CD1-CD1 3.43Å; W142-I197 HydrophobicContact CD2-CD1 4.18Å; W142-I197 HydrophobicContact CG-CD1 3.52Å; S193-I197 PolarHBondContact O-N 3.44Å; K194-I197 PolarHBondContact O-N 2.82Å; I197-Q199 PolarHBondContact O-N 3.23Å; I197-N200 WeakPolarHBondContact O-CA 3.07Å; I197-N200 WeakPolarHBondContact O-CB 3.31Å; I197-N200 PolarHBondContact O-N 2.63Å; I197-G201 PolarHBondContact O-N 2.9Å; I197-W232 HydrophobicContact CG1-CZ2 4.37Å; I197-W232 HydrophobicContact CG2-CZ2 3.94Å
198Y90.6Very high85.1Confident10 Ų1042.9 Ų42.94%0.03921%0.208CC..Hα-helixtrans-58.9-48177.8178.8-102.8000113.1I128 M136 V184 V189 K194 R195 N200 G201 C202 T464 V468I128-Y198 HydrophobicContact CD1-CD2 3.13Å; I128-Y198 HydrophobicContact CD1-CE2 3.15Å; I128-Y198 HydrophobicContact CD1-CG 4.09Å; I128-Y198 HydrophobicContact CG1-CE2 4.44Å; M136-Y198 HydrophobicContact CE-CD2 3.69Å; M136-Y198 HydrophobicContact CE-CG 4.1Å; M136-Y198 HydrophobicContact SD-CD2 3.8Å; M136-Y198 HydrophobicContact SD-CG 4.31Å; V184-Y198 HydrophobicContact CG1-CD2 3.82Å; V184-Y198 HydrophobicContact CG1-CE2 3.89Å; V189-Y198 HydrophobicContact CB-CG 4.35Å; V189-Y198 HydrophobicContact CG1-CD1 3.74Å; V189-Y198 HydrophobicContact CG1-CD2 3.94Å; V189-Y198 HydrophobicContact CG1-CG 3.38Å; V189-Y198 HydrophobicContact CG2-CD2 4.27Å; K194-Y198 WeakPolarHBondContact O-CB 3.33Å; K194-Y198 PolarHBondContact O-N 3.46Å; R195-Y198 PolarHBondContact O-N 3.07Å; Y198-N200 PolarHBondContact O-N 3.02Å; Y198-G201 CarbonylContact O-C 3.57Å; Y198-G201 WeakPolarHBondContact O-CA 3.1Å; Y198-G201 PolarHBondContact O-N 3.11Å; Y198-C202 WeakPolarHBondContact CE1-SG 3.3Å; Y198-C202 PolarHBondContact O-N 3.32Å; Y198-C202 PolarHBondContact O-SG 3.38Å; Y198-C202 VanDerWaalsContact O-SG 3.32Å; Y198-T464 WeakPolarHBondContact CE1-OG1 3.24Å; Y198-V468 HydrophobicContact CD1-CG1 3.9Å; Y198-V468 HydrophobicContact CD1-CG2 4.39Å; Y198-V468 HydrophobicContact CE1-CB 4.48Å; Y198-V468 HydrophobicContact CE1-CG1 4.02Å; Y198-V468 HydrophobicContact CE1-CG2 3.83Å
199Q93.1Very high86.8Confident3 Ų341.8 Ų41.81%0.01420%0.201CC..Hα-helixtrans-56.6-38.2174.7-75.7176-40.900111.8R195 I197 C202 L203 Y463 V468 T469R195-Q199 WeakPolarHBondContact O-CB 3.38Å; R195-Q199 VanDerWaalsContact O-CG 3.26Å; R195-Q199 WeakPolarHBondContact O-CG 3.22Å; R195-Q199 PolarHBondContact O-N 3.2Å; I197-Q199 PolarHBondContact O-N 3.23Å; Q199-C202 PolarHBondContact O-N 3.45Å; Q199-L203 VanDerWaalsContact O-CG 3.24Å; Q199-L203 WeakPolarHBondContact O-CG 3.33Å; Q199-L203 PolarHBondContact O-N 3.06Å; Q199-Y463 HydrophobicContact CB-CE2 4.21Å; Q199-Y463 HydrophobicContact CG-CE2 4.24Å; Q199-V468 HydrophobicContact CG-CG1 4.09Å; Q199-T469 VanDerWaalsContact NE2-CG2 3.29Å
200N93.7Very high88.3Confident8 Ų843.2 Ų43.24%0.04321%0.207CC..Hα-helixtrans-65.4-40.6174.5-66.2-21.2000111.4H196 I197 Y198 L203 I204 W232 K315H196-N200 VanDerWaalsContact O-CG 3.22Å; H196-N200 PolarHBondContact O-N 2.88Å; H196-N200 VanDerWaalsContact O-N 3.15Å; H196-N200 PolarHBondContact O-ND2 3.44Å; H196-N200 PolarHBondContact O-OD1 3.23Å; I197-N200 WeakPolarHBondContact O-CA 3.07Å; I197-N200 WeakPolarHBondContact O-CB 3.31Å; I197-N200 PolarHBondContact O-N 2.63Å; Y198-N200 PolarHBondContact O-N 3.02Å; N200-L203 PolarHBondContact O-N 3.24Å; N200-I204 WeakPolarHBondContact O-CB 3.46Å; N200-I204 WeakPolarHBondContact O-CG1 3.5Å; N200-I204 PolarHBondContact O-N 2.71Å; N200-W232 HydrophobicContact CB-CB 4.47Å; N200-W232 HydrophobicContact CB-CG 4.2Å; N200-K315 WeakPolarHBondContact OD1-CD 3.45Å; N200-K315 WeakPolarHBondContact OD1-CE 3.36Å; N200-K315 PolarHBondContact OD1-NZ 2.62Å
201G94.2Very high89.9Confident0 Ų046.8 Ų46.80%023%0.227CC..Hα-helixtrans-60.8-42.9173.900000113.3I132 I197 Y198 I204 R205I132-G201 VanDerWaalsContact CD1-CA 3.45Å; I197-G201 PolarHBondContact O-N 2.9Å; Y198-G201 CarbonylContact O-C 3.57Å; Y198-G201 WeakPolarHBondContact O-CA 3.1Å; Y198-G201 PolarHBondContact O-N 3.11Å; G201-I204 PolarHBondContact O-N 3.38Å; G201-R205 PolarHBondContact O-N 2.86Å
202C96.7Very high91.4Very high0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-62-42.7173.7-64.70000112.5Y198 Q199 I204 R205 V206 Y463Y198-C202 WeakPolarHBondContact CE1-SG 3.3Å; Y198-C202 PolarHBondContact O-N 3.32Å; Y198-C202 PolarHBondContact O-SG 3.38Å; Y198-C202 VanDerWaalsContact O-SG 3.32Å; Q199-C202 PolarHBondContact O-N 3.45Å; C202-I204 VanDerWaalsContact C-N 3.34Å; C202-R205 WeakPolarHBondContact O-CB 3.36Å; C202-R205 PolarHBondContact O-N 2.88Å; C202-V206 PolarHBondContact O-N 3.44Å; C202-V206 VanDerWaalsContact O-N 3.11Å; C202-Y463 HydrophobicContact CB-CD2 3.64Å; C202-Y463 HydrophobicContact CB-CE2 4.35Å; C202-Y463 VanDerWaalsContact CB-O 3.28Å; C202-Y463 WeakPolarHBondContact CB-O 3.4Å
203L97.8Very high92.7Very high0 Ų035.9 Ų35.90%017%0.173CC..Hα-helixtrans-66-36.2175.9-68.2171.9000112.3Q199 N200 V206 L207 L229 K315 M342 A344 Y463 V474Q199-L203 VanDerWaalsContact O-CG 3.24Å; Q199-L203 WeakPolarHBondContact O-CG 3.33Å; Q199-L203 PolarHBondContact O-N 3.06Å; N200-L203 PolarHBondContact O-N 3.24Å; L203-V206 WeakPolarHBondContact O-CB 3.3Å; L203-V206 PolarHBondContact O-N 3.15Å; L203-V206 VanDerWaalsContact O-N 3.15Å; L203-L207 PolarHBondContact O-N 2.9Å; L203-L229 HydrophobicContact CB-CD1 3.98Å; L203-L229 HydrophobicContact CD1-CD1 4.2Å; L203-L229 HydrophobicContact CD1-CD2 4.44Å; L203-K315 HydrophobicContact CD1-CB 4.09Å; L203-K315 HydrophobicContact CD1-CD 3.76Å; L203-K315 HydrophobicContact CD1-CG 3.77Å; L203-M342 HydrophobicContact CB-CE 4.45Å; L203-M342 HydrophobicContact CB-SD 4.08Å; L203-M342 HydrophobicContact CD1-CE 4.38Å; L203-M342 HydrophobicContact CD2-CE 3.98Å; L203-M342 HydrophobicContact CD2-SD 3.99Å; L203-M342 HydrophobicContact CG-CE 4.49Å; L203-A344 HydrophobicContact CD1-CB 4.38Å; L203-A344 HydrophobicContact CD2-CB 3.89Å; L203-Y463 HydrophobicContact CD2-CD1 3.98Å; L203-Y463 HydrophobicContact CD2-CD2 3.72Å; L203-Y463 HydrophobicContact CD2-CE1 4.25Å; L203-Y463 HydrophobicContact CD2-CE2 4.03Å; L203-Y463 HydrophobicContact CD2-CG 3.71Å; L203-Y463 HydrophobicContact CG-CD2 3.94Å; L203-Y463 HydrophobicContact CG-CE2 4.07Å; L203-Y463 HydrophobicContact CG-CG 4.43Å; L203-V474 HydrophobicContact CD2-CG2 3.3Å
204I97Very high93.8Very high0 Ų036.2 Ų36.20%017%0.173CC..Hα-helixtrans-65-40.5174.9-77.2166.1000111.3H129 I132 N200 G201 C202 V206 L207 E208 L213 L229 W232 I233H129-I204 HydrophobicContact CB-CG2 4.32Å; I132-I204 HydrophobicContact CD1-CB 4.49Å; I132-I204 HydrophobicContact CD1-CD1 3.53Å; N200-I204 WeakPolarHBondContact O-CB 3.46Å; N200-I204 WeakPolarHBondContact O-CG1 3.5Å; N200-I204 PolarHBondContact O-N 2.71Å; G201-I204 PolarHBondContact O-N 3.38Å; C202-I204 VanDerWaalsContact C-N 3.34Å; I204-V206 VanDerWaalsContact C-N 3.28Å; I204-V206 PolarHBondContact O-N 3.11Å; I204-L207 PolarHBondContact O-N 3.09Å; I204-E208 PolarHBondContact O-N 2.92Å; I204-L213 HydrophobicContact CG2-CD2 3.78Å; I204-L229 HydrophobicContact CG1-CD1 4.49Å; I204-W232 HydrophobicContact CD1-CB 3.35Å; I204-W232 HydrophobicContact CD1-CG 4.5Å; I204-I233 HydrophobicContact CD1-CG1 4.47Å; I204-I233 HydrophobicContact CG1-CG1 4.19Å
205R96.8Very high94.5Very high10 Ų1035.7 Ų35.74%0.03818%0.175CC..Hα-helixtrans-58.7-40.8170.1170.8168.349.598.820.4111.7L123 V125 D127 G201 C202 E208 K209 Y463L123-R205 VanDerWaalsContact C-NH1 3.32Å; L123-R205 PolarHBondContact O-NH1 3.37Å; L123-R205 PolarHBondContact O-NH2 2.9Å; V125-R205 VanDerWaalsContact C-NH1 3.28Å; V125-R205 PolarHBondContact O-NH1 3.32Å; D127-R205 WeakPolarHBondContact O-CD 3.45Å; D127-R205 PolarHBondContact O-NE 3.31Å; G201-R205 PolarHBondContact O-N 2.86Å; C202-R205 WeakPolarHBondContact O-CB 3.36Å; C202-R205 PolarHBondContact O-N 2.88Å; R205-E208 PolarHBondContact O-N 2.69Å; R205-K209 HydrophobicContact CG-CG 4.19Å; R205-K209 WeakPolarHBondContact O-CB 3.45Å; R205-K209 VanDerWaalsContact O-CG 3.3Å; R205-K209 WeakPolarHBondContact O-CG 3.28Å; R205-K209 PolarHBondContact O-N 2.91Å; R205-Y463 PolarHBondContact NH2-O 2.77Å; R205-Y463 VanDerWaalsContact NH2-O 3.09Å
206V98Very high95Very high0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-62.6-47.4175176.40000110.9L123 C202 L203 I204 E208 K209 E210 M342 V461 V474 C476L123-V206 HydrophobicContact CD1-CG2 4.25Å; C202-V206 PolarHBondContact O-N 3.44Å; C202-V206 VanDerWaalsContact O-N 3.11Å; L203-V206 WeakPolarHBondContact O-CB 3.3Å; L203-V206 PolarHBondContact O-N 3.15Å; L203-V206 VanDerWaalsContact O-N 3.15Å; I204-V206 VanDerWaalsContact C-N 3.28Å; I204-V206 PolarHBondContact O-N 3.11Å; V206-E208 VanDerWaalsContact C-N 3.27Å; V206-E208 PolarHBondContact O-N 3.27Å; V206-K209 PolarHBondContact O-N 3.21Å; V206-E210 HydrophobicContact CG1-CG 4.06Å; V206-E210 WeakPolarHBondContact O-CB 3.38Å; V206-E210 VanDerWaalsContact O-CG 3.32Å; V206-E210 WeakPolarHBondContact O-CG 3.47Å; V206-E210 PolarHBondContact O-N 3.06Å; V206-M342 HydrophobicContact CG1-CG 4.43Å; V206-V461 HydrophobicContact CG1-CB 4.41Å; V206-V461 HydrophobicContact CG1-CG1 4.25Å; V206-V461 HydrophobicContact CG1-CG2 4.44Å; V206-V461 HydrophobicContact CG2-CG1 3.92Å; V206-V474 HydrophobicContact CG1-CG1 4.38Å; V206-C476 VanDerWaalsContact CG1-SG 3.59Å
207L98.2Very high95.6Very high0 Ų029.2 Ų29.20%015%0.153CC..Hα-helixtrans-56.3-42.5176.2-71.5167.3000111.7L203 I204 N211 L212 L213 I233 V313 M342L203-L207 PolarHBondContact O-N 2.9Å; I204-L207 PolarHBondContact O-N 3.09Å; L207-N211 PolarHBondContact O-N 3.4Å; L207-L212 HydrophobicContact CB-CB 4.42Å; L207-L212 HydrophobicContact CD2-CB 3.67Å; L207-L212 HydrophobicContact CD2-CD1 4.26Å; L207-L212 CarbonylContact O-C 3.6Å; L207-L212 WeakPolarHBondContact O-CA 3.43Å; L207-L212 PolarHBondContact O-N 3.34Å; L207-L213 HydrophobicContact CB-CB 3.88Å; L207-L213 HydrophobicContact CB-CD1 4.48Å; L207-L213 PolarHBondContact O-N 2.9Å; L207-I233 HydrophobicContact CD1-CD1 3.62Å; L207-I233 HydrophobicContact CD1-CG1 3.87Å; L207-V313 HydrophobicContact CD2-CG1 4.07Å; L207-M342 HydrophobicContact CD1-SD 4.33Å; L207-M342 HydrophobicContact CD2-CB 3.58Å; L207-M342 HydrophobicContact CD2-CG 4Å; L207-M342 HydrophobicContact CD2-SD 3.99Å; L207-M342 HydrophobicContact CG-CB 4.46Å; L207-M342 HydrophobicContact CG-CG 4.38Å; L207-M342 HydrophobicContact CG-SD 3.83Å
208E96.1Very high96.1Very high98 Ų9828.7 Ų28.746%0.45815%0.15SC..Hα-helixtrans-63.6-50.9176.4-174.6-175.9-167.900111.9I204 R205 V206 E210 N211 L213I204-E208 PolarHBondContact O-N 2.92Å; R205-E208 PolarHBondContact O-N 2.69Å; V206-E208 VanDerWaalsContact C-N 3.27Å; V206-E208 PolarHBondContact O-N 3.27Å; E208-E210 VanDerWaalsContact C-N 3.26Å; E208-E210 PolarHBondContact O-N 2.66Å; E208-N211 PolarHBondContact O-N 2.98Å; E208-L213 HydrophobicContact CB-CB 4.38Å; E208-L213 HydrophobicContact CB-CD2 4.07Å
209K96.5Very high96.5Very high118 Ų11828.2 Ų28.251%0.51315%0.149SC..Hα-helixtrans-68.1-22.8-177.8-66.3-59.3-179.8-168.10114L123 R205 V206L123-K209 HydrophobicContact CD1-CB 3.79Å; L123-K209 HydrophobicContact CD1-CG 4.06Å; R205-K209 HydrophobicContact CG-CG 4.19Å; R205-K209 WeakPolarHBondContact O-CB 3.45Å; R205-K209 VanDerWaalsContact O-CG 3.3Å; R205-K209 WeakPolarHBondContact O-CG 3.28Å; R205-K209 PolarHBondContact O-N 2.91Å; V206-K209 PolarHBondContact O-N 3.21Å
210E96.6Very high96.7Very high34 Ų3428.1 Ų28.116%0.15915%0.148CC..THydrogen-bonded Turntrans-95.58.8173.8-58.1-65.212600112.3K121 V206 E208 L212 S459 C476K121-E210 IonicContact NZ-OE1 2.59Å; K121-E210 PolarHBondContact NZ-OE1 3.45Å; V206-E210 HydrophobicContact CG1-CG 4.06Å; V206-E210 WeakPolarHBondContact O-CB 3.38Å; V206-E210 VanDerWaalsContact O-CG 3.32Å; V206-E210 WeakPolarHBondContact O-CG 3.47Å; V206-E210 PolarHBondContact O-N 3.06Å; E208-E210 VanDerWaalsContact C-N 3.26Å; E208-E210 PolarHBondContact O-N 2.66Å; E210-L212 VanDerWaalsContact C-N 3.26Å; E210-L212 HydrophobicContact CB-CD1 4.22Å; E210-L212 HydrophobicContact CB-CG 4.17Å; E210-L212 PolarHBondContact O-N 2.96Å; E210-S459 PolarHBondContact OE2-OG 3.23Å; E210-C476 HydrophobicContact CG-CB 4.2Å
211N96.6Very high97Very high140 Ų14028 Ų2875%0.74915%0.147SC*.THydrogen-bonded Turntrans58.332.3-179.5-53.6-63.8000114.4L207 E208L207-N211 PolarHBondContact O-N 3.4Å; E208-N211 PolarHBondContact O-N 2.98Å
212L98Very high97.2Very high5 Ų528 Ų283%0.02615%0.147CC..  trans-104.70.3178.1-60.2-179.6000113L207 E210 Y219 I311 M342L207-L212 HydrophobicContact CB-CB 4.42Å; L207-L212 HydrophobicContact CD2-CB 3.67Å; L207-L212 HydrophobicContact CD2-CD1 4.26Å; L207-L212 CarbonylContact O-C 3.6Å; L207-L212 WeakPolarHBondContact O-CA 3.43Å; L207-L212 PolarHBondContact O-N 3.34Å; E210-L212 VanDerWaalsContact C-N 3.26Å; E210-L212 HydrophobicContact CB-CD1 4.22Å; E210-L212 HydrophobicContact CB-CG 4.17Å; E210-L212 PolarHBondContact O-N 2.96Å; L212-Y219 WeakPolarHBondContact O-CE1 3.37Å; L212-Y219 PolarHBondContact O-OH 2.85Å; L212-I311 HydrophobicContact CB-CG2 4.22Å; L212-I311 HydrophobicContact CD2-CD1 4.19Å; L212-M342 HydrophobicContact CD1-CB 4.33Å
213L96.9Very high97.1Very high26 Ų2629.2 Ų29.214%0.13616%0.16CC..  trans-106.488.5178-170.668.5000110.9I204 L207 E208 Y219 I233 L237I204-L213 HydrophobicContact CG2-CD2 3.78Å; L207-L213 HydrophobicContact CB-CB 3.88Å; L207-L213 HydrophobicContact CB-CD1 4.48Å; L207-L213 PolarHBondContact O-N 2.9Å; E208-L213 HydrophobicContact CB-CB 4.38Å; E208-L213 HydrophobicContact CB-CD2 4.07Å; L213-Y219 WeakPolarHBondContact CA-OH 3.43Å; L213-I233 HydrophobicContact CD1-CG1 4.48Å; L213-I233 HydrophobicContact CD1-CG2 3.87Å; L213-L237 HydrophobicContact CD1-CD1 4.42Å; L213-L237 HydrophobicContact CD1-CD2 4.03Å; L213-L237 HydrophobicContact CD1-CG 4.07Å; L213-L237 HydrophobicContact CG-CD2 3.9Å; L213-L237 HydrophobicContact CG-CG 4.47Å
214T95.5Very high96.9Very high71 Ų7129.5 Ų29.544%0.43616%0.163SC..  trans-144.9152.8177.651.70000111.5N217 Y219T214-N217 PolarHBondContact O-ND2 2.91Å; T214-N217 PolarHBondContact OG1-ND2 3.41Å; T214-Y219 PolarHBondContact N-OH 2.88Å; T214-Y219 PolarHBondContact O-OH 3.38Å
215T94.9Very high96.6Very high54 Ų5430.3 Ų30.333%0.33117%0.171SC..SBendtrans-69.1170.2170.349.90000111N217 L237 P259 T261T215-N217 VanDerWaalsContact C-N 3.28Å; T215-N217 PolarHBondContact O-N 3.38Å; T215-L237 HydrophobicContact CG2-CB 4.04Å; T215-L237 HydrophobicContact CG2-CD2 4.23Å; T215-P259 WeakPolarHBondContact CB-O 3.27Å; T215-T261 WeakPolarHBondContact CA-OG1 3Å
216G95.2Very high96.3Very high16 Ų1634.8 Ų34.817%0.16519%0.188CC..SBendtrans77.910.5-179.200000114.4E260 T261 R308G216-E260 CarbonylContact C-O 3.53Å; G216-E260 WeakPolarHBondContact CA-O 3.38Å; G216-E260 PolarHBondContact N-O 3.19Å; G216-T261 PolarHBondContact N-OG1 3.44Å; G216-R308 VanDerWaalsContact O-CB 3.31Å; G216-R308 WeakPolarHBondContact O-CB 3.36Å; G216-R308 VanDerWaalsContact O-CD 3.27Å; G216-R308 WeakPolarHBondContact O-CD 3.24Å; G216-R308 WeakPolarHBondContact O-CG 3.31Å
217N97.4Very high96Very high10 Ų1034.8 Ų34.85%0.05319%0.188CC..  trans-111.9160-177.1-65.4-36.8000113.2T214 T215 Y219 T261 S262 P309 I311T214-N217 PolarHBondContact O-ND2 2.91Å; T214-N217 PolarHBondContact OG1-ND2 3.41Å; T215-N217 VanDerWaalsContact C-N 3.28Å; T215-N217 PolarHBondContact O-N 3.38Å; N217-Y219 HydrophobicContact CB-CD2 4.29Å; N217-Y219 HydrophobicContact CB-CE2 3.86Å; N217-T261 WeakPolarHBondContact O-CA 3.5Å; N217-S262 PolarHBondContact O-N 2.82Å; N217-S262 VanDerWaalsContact O-N 3.11Å; N217-P309 WeakPolarHBondContact OD1-CB 3.37Å; N217-I311 HydrophobicContact CB-CG1 4.35Å
218L98.1Very high95.6Very high0 Ų035.4 Ų35.40%019%0.194CC..EExtended strand (participates in β ladder)trans-99.6113.5163.7176.457.4000109.5S262 I264 L302 I303 N306 P309 L310 I311L218-S262 WeakPolarHBondContact CA-O 3.25Å; L218-S262 WeakPolarHBondContact CD1-O 3.43Å; L218-I264 HydrophobicContact CD1-CD1 4.09Å; L218-I264 HydrophobicContact CD1-CG1 4.09Å; L218-I264 HydrophobicContact CD2-CD1 4.04Å; L218-I264 HydrophobicContact CG-CD1 4.47Å; L218-L302 HydrophobicContact CD1-CD2 4.32Å; L218-I303 HydrophobicContact CD2-CD1 3.8Å; L218-N306 HydrophobicContact CD2-CB 3.94Å; L218-P309 PolarHBondContact N-O 3.38Å; L218-L310 HydrophobicContact CD2-CD1 4.07Å; L218-L310 HydrophobicContact CG-CD1 4.32Å; L218-L310 CarbonylContact O-C 3.42Å; L218-L310 VanDerWaalsContact O-CA 3.28Å; L218-L310 WeakPolarHBondContact O-CA 3.28Å; L218-I311 PolarHBondContact O-N 2.91Å
219Y98.6Very high95.6Very high0 Ų030.8 Ų30.80%017%0.172CC..EExtended strand (participates in β ladder)trans-90.4129.3173.8-74.3-88.6000110.6L212 L213 T214 N217 I233 L237 T261 S262 F263 I264 I311 V313L212-Y219 WeakPolarHBondContact O-CE1 3.37Å; L212-Y219 PolarHBondContact O-OH 2.85Å; L213-Y219 WeakPolarHBondContact CA-OH 3.43Å; T214-Y219 PolarHBondContact N-OH 2.88Å; T214-Y219 PolarHBondContact O-OH 3.38Å; N217-Y219 HydrophobicContact CB-CD2 4.29Å; N217-Y219 HydrophobicContact CB-CE2 3.86Å; Y219-I233 HydrophobicContact CD1-CD1 4.11Å; Y219-I233 HydrophobicContact CD1-CG2 4.24Å; Y219-I233 HydrophobicContact CD2-CG2 4.14Å; Y219-I233 HydrophobicContact CE1-CD1 4.38Å; Y219-I233 HydrophobicContact CE1-CG2 4.09Å; Y219-I233 HydrophobicContact CE2-CG2 3.97Å; Y219-I233 HydrophobicContact CG-CG2 4.28Å; Y219-L237 HydrophobicContact CE2-CD1 3.86Å; Y219-T261 HydrophobicContact CD2-CG2 3.74Å; Y219-T261 HydrophobicContact CE2-CG2 3.9Å; Y219-S262 PolarHBondContact N-O 3.43Å; Y219-F263 VanDerWaalsContact CB-CD1 3.46Å; Y219-F263 HydrophobicContact CD2-CD1 4.36Å; Y219-F263 AromaticContact CD2-CE1 3.72Å; Y219-F263 HydrophobicContact CD2-CE1 3.72Å; Y219-F263 HydrophobicContact CD2-CZ 4.06Å; Y219-F263 HydrophobicContact CG-CD1 4.18Å; Y219-F263 AromaticContact CG-CE1 3.79Å; Y219-F263 HydrophobicContact CG-CE1 3.79Å; Y219-F263 CarbonylContact O-C 3.55Å; Y219-F263 VanDerWaalsContact O-CA 3.29Å; Y219-F263 WeakPolarHBondContact O-CA 3.26Å; Y219-I264 PolarHBondContact O-N 3.14Å; Y219-I311 WeakPolarHBondContact CA-O 3.44Å; Y219-I311 HydrophobicContact CD1-CB 3.83Å; Y219-I311 HydrophobicContact CD1-CG2 4.06Å; Y219-I311 HydrophobicContact CE1-CB 3.75Å; Y219-I311 HydrophobicContact CE1-CG1 4.16Å; Y219-I311 HydrophobicContact CE1-CG2 3.79Å; Y219-V313 HydrophobicContact CD1-CG1 4.18Å
220L98.6Very high95.5Very high0 Ų025.1 Ų25.10%015%0.148CC..EExtended strand (participates in β ladder)trans-114.4106.4176.6172.961.4000109.8F222 I264 V266 L297 L310 I311 A312 V313 L329L220-F222 HydrophobicContact CD2-CD2 4.49Å; L220-F222 HydrophobicContact CD2-CE1 4.49Å; L220-F222 HydrophobicContact CD2-CE2 3.65Å; L220-F222 HydrophobicContact CD2-CZ 3.67Å; L220-F222 HydrophobicContact CG-CD2 4.31Å; L220-F222 HydrophobicContact CG-CE2 3.94Å; L220-F222 HydrophobicContact CG-CZ 4.24Å; L220-I264 CarbonylContact C-O 3.57Å; L220-I264 WeakPolarHBondContact CA-O 3.48Å; L220-I264 HydrophobicContact CD1-CB 3.69Å; L220-I264 HydrophobicContact CD1-CG2 3.47Å; L220-I264 VanDerWaalsContact CD1-CG2 3.47Å; L220-V266 HydrophobicContact CD1-CG2 3.83Å; L220-L297 HydrophobicContact CD1-CD2 4.39Å; L220-L297 HydrophobicContact CD2-CD1 3.64Å; L220-L297 HydrophobicContact CD2-CD2 3.91Å; L220-L297 HydrophobicContact CD2-CG 4.45Å; L220-L310 HydrophobicContact CB-CD1 4.42Å; L220-L310 HydrophobicContact CB-CD2 4.24Å; L220-L310 HydrophobicContact CB-CG 4.44Å; L220-L310 HydrophobicContact CD2-CD1 4.48Å; L220-L310 HydrophobicContact CD2-CD2 4.45Å; L220-I311 PolarHBondContact N-O 2.88Å; L220-A312 CarbonylContact O-C 3.51Å; L220-A312 WeakPolarHBondContact O-CA 3.37Å; L220-V313 PolarHBondContact O-N 2.82Å; L220-L329 HydrophobicContact CD2-CD2 4.07Å
221E98.4Very high95.3Very high5 Ų524 Ų242%0.02314%0.143CC..EExtended strand (participates in β ladder)trans-93.7113.2177.2-171.4179.8178.700111.5A224 L229 S230 I264 V265 V266 V313E221-A224 HydrophobicContact CB-CB 4.09Å; E221-A224 HydrophobicContact CG-CB 3.68Å; E221-L229 WeakPolarHBondContact OE1-CB 3.48Å; E221-S230 VanDerWaalsContact CB-OG 3.29Å; E221-S230 WeakPolarHBondContact CB-OG 3.48Å; E221-S230 WeakPolarHBondContact OE2-CB 3.43Å; E221-S230 PolarHBondContact OE2-N 2.91Å; E221-S230 PolarHBondContact OE2-OG 2.79Å; E221-I264 PolarHBondContact N-O 3.42Å; E221-V265 HydrophobicContact CB-CG1 4.17Å; E221-V266 PolarHBondContact O-N 2.86Å; E221-V313 CarbonylContact C-O 3.58Å; E221-V313 VanDerWaalsContact CA-O 3.27Å; E221-V313 WeakPolarHBondContact CA-O 3.27Å; E221-V313 HydrophobicContact CB-CG2 3.81Å; E221-V313 HydrophobicContact CG-CG2 4.1Å
222F98.3Very high95Very high0 Ų017.5 Ų17.50%011%0.108CC..EExtended strand (participates in β ladder)trans-84.7139.4171-71.7-80.1000111.5L220 A224 V266 I292 L295 L297 A312 V313 A314 L317 S325 C328 L329 F343L220-F222 HydrophobicContact CD2-CD2 4.49Å; L220-F222 HydrophobicContact CD2-CE1 4.49Å; L220-F222 HydrophobicContact CD2-CE2 3.65Å; L220-F222 HydrophobicContact CD2-CZ 3.67Å; L220-F222 HydrophobicContact CG-CD2 4.31Å; L220-F222 HydrophobicContact CG-CE2 3.94Å; L220-F222 HydrophobicContact CG-CZ 4.24Å; F222-A224 VanDerWaalsContact C-N 3.3Å; F222-A224 PolarHBondContact O-N 3.35Å; F222-V266 HydrophobicContact CD1-CB 4.44Å; F222-I292 HydrophobicContact CB-CD1 4.23Å; F222-I292 HydrophobicContact CD1-CD1 3.94Å; F222-I292 HydrophobicContact CD1-CG1 4.15Å; F222-I292 HydrophobicContact CD1-CG2 4.18Å; F222-I292 HydrophobicContact CE1-CG2 4.17Å; F222-L295 HydrophobicContact CE1-CD2 4.49Å; F222-L297 HydrophobicContact CZ-CD1 4.02Å; F222-A312 HydrophobicContact CE2-CB 4.38Å; F222-V313 PolarHBondContact N-O 3.09Å; F222-A314 HydrophobicContact CB-CB 4.29Å; F222-L317 HydrophobicContact CB-CD1 4.45Å; F222-L317 HydrophobicContact CB-CD2 4.03Å; F222-S325 WeakPolarHBondContact CD1-OG 3.38Å; F222-S325 WeakPolarHBondContact CG-OG 3.2Å; F222-C328 HydrophobicContact CE1-CB 4.24Å; F222-C328 HydrophobicContact CZ-CB 4.24Å; F222-L329 HydrophobicContact CE2-CD1 4.27Å; F222-L329 HydrophobicContact CE2-CD2 3.96Å; F222-L329 HydrophobicContact CE2-CG 3.98Å; F222-L329 HydrophobicContact CZ-CD2 4.19Å; F222-L329 HydrophobicContact CZ-CG 4.19Å; F222-F343 HydrophobicContact CD2-CE1 4.05Å; F222-F343 AromaticContact CD2-CZ 3.73Å; F222-F343 HydrophobicContact CD2-CZ 3.73Å; F222-F343 HydrophobicContact CE2-CZ 4.13Å
223G95.6Very high94.9Very high26 Ų2617.3 Ų17.327%0.26811%0.106SC..THydrogen-bonded Turntrans6141.1-179.400000112G225 V266G223-G225 PolarHBondContact O-N 3.4Å; G223-G225 VanDerWaalsContact O-N 3.15Å; G223-V266 WeakPolarHBondContact CA-O 3.43Å; G223-V266 PolarHBondContact N-O 2.96Å
224A94.3Very high94.7Very high7 Ų716 Ų166%0.05810%0.1CC..  trans-66.3-21.2-165.400000113.8E221 F222 R226 A227 V265 V266E221-A224 HydrophobicContact CB-CB 4.09Å; E221-A224 HydrophobicContact CG-CB 3.68Å; F222-A224 VanDerWaalsContact C-N 3.3Å; F222-A224 PolarHBondContact O-N 3.35Å; A224-R226 PolarHBondContact O-N 2.87Å; A224-A227 WeakPolarHBondContact O-CA 3.44Å; A224-A227 PolarHBondContact O-N 2.99Å; A224-V265 HydrophobicContact CB-CB 3.73Å; A224-V265 HydrophobicContact CB-CG1 4.35Å; A224-V266 PolarHBondContact N-O 3.46Å
225G90.6Very high94.3Very high17 Ų1712.8 Ų12.818%0.1758%0.08CC..THydrogen-bonded Turntrans51.3-112.8-171.700000110.7G223 A227 E267 V271 R287G223-G225 PolarHBondContact O-N 3.4Å; G223-G225 VanDerWaalsContact O-N 3.15Å; G225-A227 PolarHBondContact O-N 3.45Å; G225-E267 VanDerWaalsContact CA-OE2 3.22Å; G225-E267 WeakPolarHBondContact CA-OE2 2.97Å; G225-E267 PolarHBondContact N-OE2 3.47Å; G225-V271 VanDerWaalsContact O-CG2 3.23Å; G225-V271 WeakPolarHBondContact O-CG2 3.5Å; G225-R287 PolarHBondContact O-NH1 2.96Å; G225-R287 PolarHBondContact O-NH2 3.07Å; G225-R287 VanDerWaalsContact O-NH2 3.12Å
226R88.9Confident94.1Very high103 Ų10310.3 Ų10.339%0.3897%0.065SC..THydrogen-bonded Turntrans-76.53.4176.9-64.4-172.8-67.7168.2-0.3114.8A224 G228 V271 F273 M275A224-R226 PolarHBondContact O-N 2.87Å; R226-G228 VanDerWaalsContact C-N 3.34Å; R226-V271 HydrophobicContact CG-CB 4.49Å; R226-V271 HydrophobicContact CG-CG2 4.1Å; R226-F273 WeakPolarHBondContact CD-O 3.24Å; R226-M275 HydrophobicContact CB-CG 4.19Å; R226-M275 WeakPolarHBondContact O-CB 3.27Å; R226-M275 PolarHBondContact O-N 2.83Å
227A92.1Very high93.9Very high0 Ų010 Ų100%06%0.059CC..THydrogen-bonded Turntrans59.241.9-168.700000112.5A224 G225 H231 V265 D276 R287A224-A227 WeakPolarHBondContact O-CA 3.44Å; A224-A227 PolarHBondContact O-N 2.99Å; G225-A227 PolarHBondContact O-N 3.45Å; A227-H231 WeakPolarHBondContact O-CB 3.4Å; A227-H231 PolarHBondContact O-N 3.18Å; A227-V265 HydrophobicContact CB-CB 4.19Å; A227-V265 HydrophobicContact CB-CG1 3.85Å; A227-V265 HydrophobicContact CB-CG2 4.2Å; A227-D276 HydrophobicContact CB-CB 3.88Å; A227-R287 VanDerWaalsContact CB-NH2 3.28Å
228G90.7Very high93.3Very high13 Ų139.7 Ų9.713%0.1346%0.058CC..Hα-helixtrans-67.8-43.3-174.400000112.5R226 W232R226-G228 VanDerWaalsContact C-N 3.34Å; G228-W232 PolarHBondContact O-N 3.07Å
229L95.2Very high92.4Very high1 Ų19.9 Ų9.91%0.0056%0.06CC..Hα-helixtrans-69.1-51.2-178.8179.360.2000110.6L203 I204 E221 H231 W232 I233 V313 K315 M342L203-L229 HydrophobicContact CB-CD1 3.98Å; L203-L229 HydrophobicContact CD1-CD1 4.2Å; L203-L229 HydrophobicContact CD1-CD2 4.44Å; I204-L229 HydrophobicContact CG1-CD1 4.49Å; E221-L229 WeakPolarHBondContact OE1-CB 3.48Å; L229-H231 VanDerWaalsContact C-N 3.28Å; L229-H231 PolarHBondContact O-N 2.84Å; L229-W232 PolarHBondContact O-N 2.88Å; L229-I233 HydrophobicContact CD1-CD1 4.3Å; L229-I233 HydrophobicContact CD1-CG1 4.43Å; L229-I233 HydrophobicContact CG-CD1 3.94Å; L229-I233 HydrophobicContact CG-CG1 4.5Å; L229-I233 WeakPolarHBondContact O-CG1 3.47Å; L229-I233 PolarHBondContact O-N 2.89Å; L229-V313 HydrophobicContact CD2-CB 3.95Å; L229-V313 HydrophobicContact CD2-CG2 4.04Å; L229-K315 HydrophobicContact CD2-CB 4.33Å; L229-M342 HydrophobicContact CD2-CE 3.79Å
230S95.7Very high91.1Very high0 Ų013.7 Ų13.70%09%0.086CC..Hα-helixtrans-58.8-38.6177.7-63.70000112.9E221 W232 I233 N234E221-S230 VanDerWaalsContact CB-OG 3.29Å; E221-S230 WeakPolarHBondContact CB-OG 3.48Å; E221-S230 WeakPolarHBondContact OE2-CB 3.43Å; E221-S230 PolarHBondContact OE2-N 2.91Å; E221-S230 PolarHBondContact OE2-OG 2.79Å; S230-W232 VanDerWaalsContact C-N 3.3Å; S230-W232 PolarHBondContact O-N 3.11Å; S230-I233 PolarHBondContact O-N 3.05Å; S230-N234 WeakPolarHBondContact O-CB 3.47Å; S230-N234 PolarHBondContact O-N 2.94Å
231H91.6Very high89.3Confident11 Ų1119 Ų195%0.05111%0.111CC..Hα-helixtrans-56.5-44.8174.9173.191.9000111.8A227 L229 N235 M275 Q279A227-H231 WeakPolarHBondContact O-CB 3.4Å; A227-H231 PolarHBondContact O-N 3.18Å; L229-H231 VanDerWaalsContact C-N 3.28Å; L229-H231 PolarHBondContact O-N 2.84Å; H231-N235 PolarHBondContact CD2-ND2 3.17Å; H231-N235 PolarHBondContact CE1-ND2 2.96Å; H231-N235 PolarHBondContact NE2-ND2 2.9Å; H231-N235 PolarHBondContact O-N 3.25Å; H231-N235 VanDerWaalsContact O-N 3.13Å; H231-N235 PolarHBondContact O-ND2 3.49Å; H231-N235 PolarHBondContact O-OD1 2.95Å; H231-M275 HydrophobicContact CB-CB 3.97Å; H231-M275 HydrophobicContact CB-CE 4.43Å; H231-M275 VanDerWaalsContact CD2-CE 3.43Å; H231-M275 WeakPolarHBondContact CD2-CE 3.41Å; H231-M275 PolarHBondContact ND1-O 2.89Å; H231-Q279 PolarHBondContact ND1-NE2 2.84Å; H231-Q279 PolarHBondContact ND1-OE1 3.1Å
232W91.3Very high87.5Confident3 Ų322.1 Ų22.11%0.01113%0.128CC..Hα-helixtrans-74.1-35.5178.9-73.6110.8000112.8L131 I132 T135 I197 N200 I204 G228 L229 S230 N235 C236 W254L131-W232 HydrophobicContact CD2-CZ3 4.37Å; L131-W232 HydrophobicContact CG-CZ3 4.18Å; I132-W232 HydrophobicContact CD1-CB 4.33Å; I132-W232 HydrophobicContact CD1-CD2 4.35Å; I132-W232 HydrophobicContact CD1-CE3 4.13Å; I132-W232 HydrophobicContact CD1-CG 4.46Å; I132-W232 HydrophobicContact CG1-CD2 4.13Å; I132-W232 HydrophobicContact CG1-CE3 3.56Å; I132-W232 HydrophobicContact CG1-CZ3 3.91Å; T135-W232 HydrophobicContact CG2-CH2 3.45Å; T135-W232 VanDerWaalsContact CG2-CH2 3.45Å; T135-W232 HydrophobicContact CG2-CZ2 3.97Å; T135-W232 WeakPolarHBondContact OG1-CH2 3.23Å; I197-W232 HydrophobicContact CG1-CZ2 4.37Å; I197-W232 HydrophobicContact CG2-CZ2 3.94Å; N200-W232 HydrophobicContact CB-CB 4.47Å; N200-W232 HydrophobicContact CB-CG 4.2Å; I204-W232 HydrophobicContact CD1-CB 3.35Å; I204-W232 HydrophobicContact CD1-CG 4.5Å; G228-W232 PolarHBondContact O-N 3.07Å; L229-W232 PolarHBondContact O-N 2.88Å; S230-W232 VanDerWaalsContact C-N 3.3Å; S230-W232 PolarHBondContact O-N 3.11Å; W232-N235 PolarHBondContact O-N 3.02Å; W232-C236 WeakPolarHBondContact O-CB 3.16Å; W232-C236 PolarHBondContact O-N 2.58Å; W232-C236 PolarHBondContact O-SG 3.39Å; W232-W254 AromaticContact CH2-CH2 3.71Å; W232-W254 HydrophobicContact CH2-CH2 3.71Å; W232-W254 HydrophobicContact CH2-CZ3 4.13Å; W232-W254 AromaticContact CZ3-CH2 3.68Å; W232-W254 HydrophobicContact CZ3-CH2 3.68Å; W232-W254 AromaticContact CZ3-CZ3 3.73Å; W232-W254 HydrophobicContact CZ3-CZ3 3.73Å
233I95.1Very high85.5Confident0 Ų023.8 Ų23.80%014%0.144CC..Hα-helixtrans-57.1-51.3172.4-67.3168.6000109.6I204 L207 L213 Y219 L229 S230 N235 C236 L237 F263 V313I204-I233 HydrophobicContact CD1-CG1 4.47Å; I204-I233 HydrophobicContact CG1-CG1 4.19Å; L207-I233 HydrophobicContact CD1-CD1 3.62Å; L207-I233 HydrophobicContact CD1-CG1 3.87Å; L213-I233 HydrophobicContact CD1-CG1 4.48Å; L213-I233 HydrophobicContact CD1-CG2 3.87Å; Y219-I233 HydrophobicContact CD1-CD1 4.11Å; Y219-I233 HydrophobicContact CD1-CG2 4.24Å; Y219-I233 HydrophobicContact CD2-CG2 4.14Å; Y219-I233 HydrophobicContact CE1-CD1 4.38Å; Y219-I233 HydrophobicContact CE1-CG2 4.09Å; Y219-I233 HydrophobicContact CE2-CG2 3.97Å; Y219-I233 HydrophobicContact CG-CG2 4.28Å; L229-I233 HydrophobicContact CD1-CD1 4.3Å; L229-I233 HydrophobicContact CD1-CG1 4.43Å; L229-I233 HydrophobicContact CG-CD1 3.94Å; L229-I233 HydrophobicContact CG-CG1 4.5Å; L229-I233 WeakPolarHBondContact O-CG1 3.47Å; L229-I233 PolarHBondContact O-N 2.89Å; S230-I233 PolarHBondContact O-N 3.05Å; I233-N235 PolarHBondContact O-N 3.17Å; I233-C236 PolarHBondContact O-N 3.07Å; I233-L237 HydrophobicContact CG2-CD1 3.79Å; I233-L237 HydrophobicContact CG2-CG 4.37Å; I233-L237 WeakPolarHBondContact O-CB 3.39Å; I233-L237 WeakPolarHBondContact O-CG 3.32Å; I233-L237 PolarHBondContact O-N 2.95Å; I233-F263 HydrophobicContact CB-CE1 3.98Å; I233-F263 HydrophobicContact CB-CZ 4.4Å; I233-F263 HydrophobicContact CG2-CE1 3.69Å; I233-F263 HydrophobicContact CG2-CZ 3.92Å; I233-V313 HydrophobicContact CD1-CG1 4.41Å; I233-V313 HydrophobicContact CD1-CG2 4.34Å
234N92.7Very high83.4Confident0 Ų028 Ų280%017%0.17CC..Hα-helixtrans-53.6-52.4176.8176.381.6000111.8S230 C236 L237 A238 V256 A258 F263 Q279 N284 F285S230-N234 WeakPolarHBondContact O-CB 3.47Å; S230-N234 PolarHBondContact O-N 2.94Å; N234-C236 VanDerWaalsContact C-N 3.34Å; N234-C236 PolarHBondContact O-N 3.3Å; N234-L237 PolarHBondContact O-N 3.18Å; N234-A238 WeakPolarHBondContact O-CB 3.41Å; N234-A238 PolarHBondContact O-N 3.24Å; N234-V256 PolarHBondContact ND2-O 3.28Å; N234-A258 PolarHBondContact OD1-N 3.01Å; N234-F263 HydrophobicContact CB-CE2 3.7Å; N234-F263 HydrophobicContact CB-CZ 3.7Å; N234-Q279 PolarHBondContact ND2-NE2 2.84Å; N234-N284 PolarHBondContact OD1-ND2 3.13Å; N234-F285 HydrophobicContact CB-CE2 3.9Å; N234-F285 HydrophobicContact CB-CZ 4.03Å
235N87.9Confident81.2Confident3 Ų335.7 Ų35.72%0.01620%0.197CC..Hα-helixtrans-69.3-34.2-173.8-58-11.5000112.2L131 H231 W232 I233 S239 W254 Q279L131-N235 HydrophobicContact CD2-CB 3.57Å; H231-N235 PolarHBondContact CD2-ND2 3.17Å; H231-N235 PolarHBondContact CE1-ND2 2.96Å; H231-N235 PolarHBondContact NE2-ND2 2.9Å; H231-N235 PolarHBondContact O-N 3.25Å; H231-N235 VanDerWaalsContact O-N 3.13Å; H231-N235 PolarHBondContact O-ND2 3.49Å; H231-N235 PolarHBondContact O-OD1 2.95Å; W232-N235 PolarHBondContact O-N 3.02Å; I233-N235 PolarHBondContact O-N 3.17Å; N235-S239 VanDerWaalsContact O-CB 3.29Å; N235-S239 WeakPolarHBondContact O-CB 3.45Å; N235-S239 PolarHBondContact O-N 3.48Å; N235-S239 PolarHBondContact O-OG 3.34Å; N235-W254 HydrophobicContact CB-CE3 4.12Å; N235-W254 HydrophobicContact CB-CZ3 4.05Å; N235-W254 VanDerWaalsContact ND2-CE3 3.29Å; N235-W254 WeakPolarHBondContact ND2-CZ3 3.4Å; N235-Q279 PolarHBondContact OD1-NE2 3.26Å; N235-Q279 VanDerWaalsContact OD1-NE2 3.11Å
236C89.5Confident79.4Confident2 Ų235.6 Ų35.61%0.01419%0.194CC..Hα-helixtrans-67.1-48.4175.7-63.60000110.8W232 I233 N234 A238 S239 S240W232-C236 WeakPolarHBondContact O-CB 3.16Å; W232-C236 PolarHBondContact O-N 2.58Å; W232-C236 PolarHBondContact O-SG 3.39Å; I233-C236 PolarHBondContact O-N 3.07Å; N234-C236 VanDerWaalsContact C-N 3.34Å; N234-C236 PolarHBondContact O-N 3.3Å; C236-A238 VanDerWaalsContact C-N 3.31Å; C236-A238 PolarHBondContact O-N 3.24Å; C236-S239 PolarHBondContact O-N 3.48Å; C236-S239 VanDerWaalsContact O-N 3.1Å; C236-S239 PolarHBondContact O-OG 2.94Å; C236-S240 PolarHBondContact O-N 3.3Å; C236-S240 VanDerWaalsContact O-N 3.11Å; C236-S240 PolarHBondContact O-OG 2.93Å
237L91.5Very high77.7Confident8 Ų832.3 Ų32.34%0.04218%0.182CC..Hα-helixtrans-62.5-37.1177-70.6177.2000112.9L213 T215 Y219 I233 N234 S239 S240 A258 T261L213-L237 HydrophobicContact CD1-CD1 4.42Å; L213-L237 HydrophobicContact CD1-CD2 4.03Å; L213-L237 HydrophobicContact CD1-CG 4.07Å; L213-L237 HydrophobicContact CG-CD2 3.9Å; L213-L237 HydrophobicContact CG-CG 4.47Å; T215-L237 HydrophobicContact CG2-CB 4.04Å; T215-L237 HydrophobicContact CG2-CD2 4.23Å; Y219-L237 HydrophobicContact CE2-CD1 3.86Å; I233-L237 HydrophobicContact CG2-CD1 3.79Å; I233-L237 HydrophobicContact CG2-CG 4.37Å; I233-L237 WeakPolarHBondContact O-CB 3.39Å; I233-L237 WeakPolarHBondContact O-CG 3.32Å; I233-L237 PolarHBondContact O-N 2.95Å; N234-L237 PolarHBondContact O-N 3.18Å; L237-S239 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 2.6Å; L237-S240 PolarHBondContact O-OG 3.25Å; L237-A258 HydrophobicContact CB-CB 3.71Å; L237-A258 HydrophobicContact CD1-CB 4.42Å; L237-T261 HydrophobicContact CD1-CG2 4.1Å
238A85.1Confident75.8Confident4 Ų437.9 Ų37.93%0.03321%0.212CC..Hα-helixtrans-73.9-21.2178.200000112.4N234 C236 P255 A258N234-A238 WeakPolarHBondContact O-CB 3.41Å; N234-A238 PolarHBondContact O-N 3.24Å; C236-A238 VanDerWaalsContact C-N 3.31Å; C236-A238 PolarHBondContact O-N 3.24Å; A238-P255 HydrophobicContact CB-CB 3.57Å; A238-P255 HydrophobicContact CB-CG 4.08Å; A238-A258 HydrophobicContact CB-CB 4.31Å
239S79Confident73.7Confident5 Ų545 Ų454%0.03523%0.234CC..Hα-helixtrans-85.7-32.1177.6700000115.4H129 N235 C236 L237 E241 L242 Y247H129-S239 PolarHBondContact CE1-OG 2.79Å; N235-S239 VanDerWaalsContact O-CB 3.29Å; N235-S239 WeakPolarHBondContact O-CB 3.45Å; N235-S239 PolarHBondContact O-N 3.48Å; N235-S239 PolarHBondContact O-OG 3.34Å; C236-S239 PolarHBondContact O-N 3.48Å; C236-S239 VanDerWaalsContact O-N 3.1Å; C236-S239 PolarHBondContact O-OG 2.94Å; L237-S239 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 2.6Å; S239-E241 PolarHBondContact O-N 3.01Å; S239-E241 VanDerWaalsContact O-N 3.16Å; S239-L242 PolarHBondContact O-N 3.03Å; S239-L242 VanDerWaalsContact O-N 3.13Å; S239-Y247 WeakPolarHBondContact CB-OH 3.32Å; S239-Y247 PolarHBondContact OG-OH 3.44Å
240S72.1Confident71.6Confident79 Ų7949.1 Ų49.155%0.55225%0.253SS*.Hα-helixtrans-58.5-27.5177.137.60000111.9C236 L237C236-S240 PolarHBondContact O-N 3.3Å; C236-S240 VanDerWaalsContact O-N 3.11Å; C236-S240 PolarHBondContact O-OG 2.93Å; L237-S240 PolarHBondContact O-OG 3.25Å
241E60.2Low69.4Low112 Ų11253.6 Ų53.652%0.52328%0.282SS..THydrogen-bonded Turntrans-83.2-25.8178.7-64.9-162.5-157.400114.5S239 G243 P259S239-E241 PolarHBondContact O-N 3.01Å; S239-E241 VanDerWaalsContact O-N 3.16Å; E241-G243 VanDerWaalsContact C-N 3.25Å; E241-G243 PolarHBondContact O-N 3.2Å; E241-P259 VanDerWaalsContact OE1-CB 3.31Å; E241-P259 WeakPolarHBondContact OE1-CB 3.18Å; E241-P259 WeakPolarHBondContact OE1-CD 3.48Å; E241-P259 VanDerWaalsContact OE1-CG 3.25Å; E241-P259 WeakPolarHBondContact OE1-CG 3.3Å; E241-P259 VanDerWaalsContact OE2-CG 3.24Å; E241-P259 WeakPolarHBondContact OE2-CG 3.36Å
242L59.5Low67.5Low71 Ų7153.7 Ų53.737%0.37229%0.285SS..THydrogen-bonded Turntrans-81.3-5.4178.9-69.6168.2000113.2S239 C246 P255S239-L242 PolarHBondContact O-N 3.03Å; S239-L242 VanDerWaalsContact O-N 3.13Å; L242-C246 HydrophobicContact CB-CB 3.44Å; L242-C246 VanDerWaalsContact CB-CB 3.44Å; L242-C246 HydrophobicContact CD1-CB 4.11Å; L242-C246 HydrophobicContact CG-CB 4.36Å; L242-P255 HydrophobicContact CD1-CB 3.63Å; L242-P255 HydrophobicContact CD1-CG 3.99Å
243G56.4Low65.8Low34 Ų3455.1 Ų55.135%0.35129%0.293SS..  trans74.2160.6-174.500000113.6E241 R245 C246E241-G243 VanDerWaalsContact C-N 3.25Å; E241-G243 PolarHBondContact O-N 3.2Å; G243-R245 PolarHBondContact O-N 3.26Å; G243-C246 PolarHBondContact O-N 2.81Å; G243-C246 VanDerWaalsContact O-N 3.16Å; G243-C246 PolarHBondContact O-SG 2.75Å; G243-C246 VanDerWaalsContact O-SG 3.39Å
244S53Low64.1Low116 Ų11656.7 Ų56.781%0.81130%0.299SS*.THydrogen-bonded Turntrans-54.1-22-173.9-40.60000114.7
245R47.6Very low62.7Low167 Ų16757.4 Ų57.463%0.6330%0.303SS*.THydrogen-bonded Turntrans-96.76.8-173.7-71.7-175.1168.6-170-3.3115G243 Y247 R249G243-R245 PolarHBondContact O-N 3.26Å; R245-Y247 VanDerWaalsContact C-N 3.31Å; R245-R249 WeakPolarHBondContact O-CB 3.42Å; R245-R249 PolarHBondContact O-N 2.93Å; R245-R249 VanDerWaalsContact O-N 3.16Å; R245-R249 PolarHBondContact O-NE 3.31Å
246C51.9Low61.8Low15 Ų1559 Ų5910%0.10131%0.313CS..Hα-helixtrans-68.2-33.8179.665.10000112.3L242 G243 F250L242-C246 HydrophobicContact CB-CB 3.44Å; L242-C246 VanDerWaalsContact CB-CB 3.44Å; L242-C246 HydrophobicContact CD1-CB 4.11Å; L242-C246 HydrophobicContact CG-CB 4.36Å; G243-C246 PolarHBondContact O-N 2.81Å; G243-C246 VanDerWaalsContact O-N 3.16Å; G243-C246 PolarHBondContact O-SG 2.75Å; G243-C246 VanDerWaalsContact O-SG 3.39Å; C246-F250 PolarHBondContact O-N 3.14Å; C246-F250 VanDerWaalsContact O-N 3.07Å
247Y53.1Low61.5Low34 Ų3464 Ų6413%0.13334%0.335CS..Hα-helixtrans-73.4-41.6177.6-54.4-64.5000113.1L131 S239 R245 R249 F250L131-Y247 HydrophobicContact CB-CE2 4.46Å; L131-Y247 WeakPolarHBondContact CB-OH 3.24Å; L131-Y247 HydrophobicContact CD1-CD1 4.18Å; L131-Y247 HydrophobicContact CD1-CE1 3.34Å; L131-Y247 HydrophobicContact CD1-CE2 4.44Å; L131-Y247 VanDerWaalsContact CD1-CZ 3.47Å; L131-Y247 WeakPolarHBondContact CD1-OH 3.4Å; L131-Y247 VanDerWaalsContact CD2-OH 3.27Å; L131-Y247 WeakPolarHBondContact CD2-OH 3.29Å; L131-Y247 HydrophobicContact CG-CE1 4.4Å; L131-Y247 WeakPolarHBondContact CG-OH 3.44Å; S239-Y247 WeakPolarHBondContact CB-OH 3.32Å; S239-Y247 PolarHBondContact OG-OH 3.44Å; R245-Y247 VanDerWaalsContact C-N 3.31Å; Y247-R249 VanDerWaalsContact C-N 3.3Å; Y247-R249 PolarHBondContact O-N 3.45Å; Y247-F250 CarbonylContact O-C 3.19Å
248D52.5Low61.4Low118 Ų11863.7 Ų63.763%0.63133%0.333SS*.Hα-helixtrans-66-37.6178.3-53.9-29000111
249R46.9Very low61.6Low161 Ų16165.6 Ų65.661%0.60835%0.345SS*.Hα-helixtrans-78.6-30-179.6-81.6-174.8-86.7-151.12.1113.8R245 Y247R245-R249 WeakPolarHBondContact O-CB 3.42Å; R245-R249 PolarHBondContact O-N 2.93Å; R245-R249 VanDerWaalsContact O-N 3.16Å; R245-R249 PolarHBondContact O-NE 3.31Å; Y247-R249 VanDerWaalsContact C-N 3.3Å; Y247-R249 PolarHBondContact O-N 3.45Å
250F50.7Low62.2Low89 Ų8972.8 Ų72.839%0.3938%0.378SS..SBendtrans-13968.8-176-56.6-74.5000112.4I153 C246 Y247 G252 I253I153-F250 HydrophobicContact CD1-CD2 4.18Å; C246-F250 PolarHBondContact O-N 3.14Å; C246-F250 VanDerWaalsContact O-N 3.07Å; Y247-F250 CarbonylContact O-C 3.19Å; F250-G252 PolarHBondContact O-N 3.21Å; F250-I253 HydrophobicContact CB-CB 4.04Å; F250-I253 HydrophobicContact CB-CD1 3.64Å; F250-I253 HydrophobicContact CB-CG1 3.87Å; F250-I253 HydrophobicContact CD1-CD1 3.85Å; F250-I253 HydrophobicContact CG-CD1 3.86Å; F250-I253 PolarHBondContact O-N 3.37Å; F250-I253 VanDerWaalsContact O-N 3.07Å
251P49.8Very low63.3Low94 Ų9469.2 Ų69.261%0.6135%0.353SS*.THydrogen-bonded Turntrans-55.9111.217820.1-30.8000110.7
252G51.6Low65Low12 Ų1264.9 Ų64.912%0.12434%0.335CS..THydrogen-bonded Turntrans102.6-2.9176.700000116.6F250F250-G252 PolarHBondContact O-N 3.21Å
253I56Low66.8Low33 Ų3361.5 Ų61.517%0.16932%0.317CS..PPolyproline II helixtrans-82.2117.9163.6-56.5-178.7000108.8I150 I153 F250I150-I253 HydrophobicContact CG2-CD1 4.3Å; I150-I253 HydrophobicContact CG2-CG1 3.42Å; I150-I253 VanDerWaalsContact CG2-CG1 3.42Å; I153-I253 HydrophobicContact CB-CG2 4.24Å; I153-I253 HydrophobicContact CD1-CB 4.16Å; I153-I253 HydrophobicContact CD1-CD1 4.08Å; I153-I253 HydrophobicContact CD1-CG2 3.56Å; I153-I253 HydrophobicContact CG1-CD1 3.84Å; I153-I253 HydrophobicContact CG1-CG2 3.74Å; F250-I253 HydrophobicContact CB-CB 4.04Å; F250-I253 HydrophobicContact CB-CD1 3.64Å; F250-I253 HydrophobicContact CB-CG1 3.87Å; F250-I253 HydrophobicContact CD1-CD1 3.85Å; F250-I253 HydrophobicContact CG-CD1 3.86Å; F250-I253 PolarHBondContact O-N 3.37Å; F250-I253 VanDerWaalsContact O-N 3.07Å
254W59.4Low68.8Low34 Ų3459.9 Ų59.913%0.12930%0.301CS..PPolyproline II helixtrans-95.4127.6176.4-77.769.7000109.3L131 T135 H141 W232 N235 V256L131-W254 HydrophobicContact CD1-CH2 3.77Å; L131-W254 HydrophobicContact CD1-CZ2 4.42Å; L131-W254 HydrophobicContact CD1-CZ3 3.84Å; L131-W254 HydrophobicContact CD2-CZ3 3.94Å; L131-W254 HydrophobicContact CG-CH2 4.33Å; L131-W254 HydrophobicContact CG-CZ3 4.15Å; T135-W254 WeakPolarHBondContact OG1-CH2 3.22Å; H141-W254 HydrophobicContact CB-CZ2 3.9Å; H141-W254 AromaticContact CE1-NE1 3.76Å; H141-W254 AromaticContact CG-CZ2 3.91Å; H141-W254 AromaticContact ND1-CE2 3.73Å; H141-W254 AromaticContact ND1-CZ2 3.59Å; H141-W254 AromaticContact ND1-NE1 3.27Å; H141-W254 PolarHBondContact ND1-NE1 3.46Å; W232-W254 AromaticContact CH2-CH2 3.71Å; W232-W254 HydrophobicContact CH2-CH2 3.71Å; W232-W254 HydrophobicContact CH2-CZ3 4.13Å; W232-W254 AromaticContact CZ3-CH2 3.68Å; W232-W254 HydrophobicContact CZ3-CH2 3.68Å; W232-W254 AromaticContact CZ3-CZ3 3.73Å; W232-W254 HydrophobicContact CZ3-CZ3 3.73Å; N235-W254 HydrophobicContact CB-CE3 4.12Å; N235-W254 HydrophobicContact CB-CZ3 4.05Å; N235-W254 VanDerWaalsContact ND2-CE3 3.29Å; N235-W254 WeakPolarHBondContact ND2-CZ3 3.4Å; W254-V256 WeakPolarHBondContact O-CG2 3.44Å; W254-V256 PolarHBondContact O-N 3.33Å; W254-V256 VanDerWaalsContact O-N 3.08Å
255P63Low70.9Confident15 Ų1554.4 Ų54.410%0.09726%0.262CS..PPolyproline II helixtrans-61.8117.6167.822.8-28.4000108.7A238 L242A238-P255 HydrophobicContact CB-CB 3.57Å; A238-P255 HydrophobicContact CB-CG 4.08Å; L242-P255 HydrophobicContact CD1-CB 3.63Å; L242-P255 HydrophobicContact CD1-CG 3.99Å
256V69.8Low73.3Confident37 Ų3746.4 Ų46.422%0.22423%0.232CC..  trans-84.7-28.1-165.5-143.30000111.5N234 W254 Q279 E282N234-V256 PolarHBondContact ND2-O 3.28Å; W254-V256 WeakPolarHBondContact O-CG2 3.44Å; W254-V256 PolarHBondContact O-N 3.33Å; W254-V256 VanDerWaalsContact O-N 3.08Å; V256-Q279 WeakPolarHBondContact O-CG 3.29Å; V256-E282 HydrophobicContact CB-CG 3.8Å; V256-E282 HydrophobicContact CG1-CG 3.44Å; V256-E282 VanDerWaalsContact CG1-CG 3.44Å
257K83.2Confident75.3Confident107 Ų10746.9 Ų46.947%0.46523%0.233SC..  trans-137.9117.4-168.7-175.4168-178.2164.90111.8E282 N284K257-E282 PolarHBondContact NZ-O 2.89Å; K257-N284 HydrophobicContact CD-CB 4.35Å; K257-N284 HydrophobicContact CG-CB 4.08Å
258A89.6Confident77.1Confident0 Ų049.9 Ų49.90%025%0.25CS..  trans-65.8129.3169.400000110.2N234 L237 A238 T261N234-A258 PolarHBondContact OD1-N 3.01Å; L237-A258 HydrophobicContact CB-CB 3.71Å; L237-A258 HydrophobicContact CD1-CB 4.42Å; A238-A258 HydrophobicContact CB-CB 4.31Å; A258-T261 HydrophobicContact CB-CG2 4.11Å; A258-T261 PolarHBondContact O-N 2.86Å
259P88.8Confident78.6Confident44 Ų4449 Ų4929%0.28625%0.246SC..THydrogen-bonded Turntrans-63.3138.5-175.5-34.147.3000112.6T215 E241 T261T215-P259 WeakPolarHBondContact CB-O 3.27Å; E241-P259 VanDerWaalsContact OE1-CB 3.31Å; E241-P259 WeakPolarHBondContact OE1-CB 3.18Å; E241-P259 WeakPolarHBondContact OE1-CD 3.48Å; E241-P259 VanDerWaalsContact OE1-CG 3.25Å; E241-P259 WeakPolarHBondContact OE1-CG 3.3Å; E241-P259 VanDerWaalsContact OE2-CG 3.24Å; E241-P259 WeakPolarHBondContact OE2-CG 3.36Å; P259-T261 WeakPolarHBondContact O-CB 3.48Å; P259-T261 PolarHBondContact O-N 2.91Å; P259-T261 PolarHBondContact O-OG1 2.91Å
260E91.9Very high80Confident157 Ų15746 Ų4673%0.73425%0.249SC*.THydrogen-bonded Turntrans45.727.6-177.4-57.7-172.1172.200114.1G216 R308G216-E260 CarbonylContact C-O 3.53Å; G216-E260 WeakPolarHBondContact CA-O 3.38Å; G216-E260 PolarHBondContact N-O 3.19Å; E260-R308 VanDerWaalsContact C-NH1 3.27Å; E260-R308 PolarHBondContact O-NH1 2.91Å
261T95.3Very high81.3Confident3 Ų343.5 Ų43.52%0.01824%0.242CC..  trans-120132.1-173.9-55.40000109T215 G216 N217 Y219 L237 A258 P259 F263T215-T261 WeakPolarHBondContact CA-OG1 3Å; G216-T261 PolarHBondContact N-OG1 3.44Å; N217-T261 WeakPolarHBondContact O-CA 3.5Å; Y219-T261 HydrophobicContact CD2-CG2 3.74Å; Y219-T261 HydrophobicContact CE2-CG2 3.9Å; L237-T261 HydrophobicContact CD1-CG2 4.1Å; A258-T261 HydrophobicContact CB-CG2 4.11Å; A258-T261 PolarHBondContact O-N 2.86Å; P259-T261 WeakPolarHBondContact O-CB 3.48Å; P259-T261 PolarHBondContact O-N 2.91Å; P259-T261 PolarHBondContact O-OG1 2.91Å; T261-F263 HydrophobicContact CG2-CD2 4.44Å; T261-F263 HydrophobicContact CG2-CE1 4.48Å; T261-F263 HydrophobicContact CG2-CE2 3.58Å; T261-F263 HydrophobicContact CG2-CZ 3.59Å
262S95.9Very high82.4Confident22 Ų2249 Ų4915%0.15425%0.25CS..EExtended strand (participates in β ladder)trans-126.8156.3178.1-53.40000110.5N217 L218 Y219 N284 R308N217-S262 PolarHBondContact O-N 2.82Å; N217-S262 VanDerWaalsContact O-N 3.11Å; L218-S262 WeakPolarHBondContact CA-O 3.25Å; L218-S262 WeakPolarHBondContact CD1-O 3.43Å; Y219-S262 PolarHBondContact N-O 3.43Å; S262-N284 CarbonylContact C-O 3.42Å; S262-N284 WeakPolarHBondContact CA-O 3.4Å; S262-R308 PolarHBondContact OG-NH1 3.36Å; S262-R308 PolarHBondContact OG-NH2 3.18Å
263F97.5Very high83.6Confident0 Ų054.8 Ų54.80%027%0.272CS..EExtended strand (participates in β ladder)trans-129.6129.5-175.4-62.8-93.3000110Y219 I233 N234 T261 N284 F285 T286Y219-F263 VanDerWaalsContact CB-CD1 3.46Å; Y219-F263 HydrophobicContact CD2-CD1 4.36Å; Y219-F263 AromaticContact CD2-CE1 3.72Å; Y219-F263 HydrophobicContact CD2-CE1 3.72Å; Y219-F263 HydrophobicContact CD2-CZ 4.06Å; Y219-F263 HydrophobicContact CG-CD1 4.18Å; Y219-F263 AromaticContact CG-CE1 3.79Å; Y219-F263 HydrophobicContact CG-CE1 3.79Å; Y219-F263 CarbonylContact O-C 3.55Å; Y219-F263 VanDerWaalsContact O-CA 3.29Å; Y219-F263 WeakPolarHBondContact O-CA 3.26Å; I233-F263 HydrophobicContact CB-CE1 3.98Å; I233-F263 HydrophobicContact CB-CZ 4.4Å; I233-F263 HydrophobicContact CG2-CE1 3.69Å; I233-F263 HydrophobicContact CG2-CZ 3.92Å; N234-F263 HydrophobicContact CB-CE2 3.7Å; N234-F263 HydrophobicContact CB-CZ 3.7Å; T261-F263 HydrophobicContact CG2-CD2 4.44Å; T261-F263 HydrophobicContact CG2-CE1 4.48Å; T261-F263 HydrophobicContact CG2-CE2 3.58Å; T261-F263 HydrophobicContact CG2-CZ 3.59Å; F263-N284 PolarHBondContact N-O 3.31Å; F263-F285 HydrophobicContact CB-CD1 3.69Å; F263-F285 HydrophobicContact CB-CD2 3.9Å; F263-F285 HydrophobicContact CB-CE1 3.74Å; F263-F285 HydrophobicContact CB-CE2 3.95Å; F263-F285 HydrophobicContact CB-CG 3.8Å; F263-F285 HydrophobicContact CB-CZ 3.87Å; F263-F285 HydrophobicContact CD1-CE1 4.33Å; F263-F285 HydrophobicContact CD1-CE2 4.4Å; F263-F285 AromaticContact CD1-CZ 3.96Å; F263-F285 HydrophobicContact CD1-CZ 3.96Å; F263-F285 AromaticContact CD2-CD2 3.67Å; F263-F285 HydrophobicContact CD2-CD2 3.67Å; F263-F285 HydrophobicContact CD2-CE1 4.38Å; F263-F285 AromaticContact CD2-CE2 3.21Å; F263-F285 HydrophobicContact CD2-CE2 3.21Å; F263-F285 HydrophobicContact CD2-CG 4.43Å; F263-F285 AromaticContact CD2-CZ 3.63Å; F263-F285 HydrophobicContact CD2-CZ 3.63Å; F263-F285 HydrophobicContact CE1-CZ 4.47Å; F263-F285 AromaticContact CE2-CE2 3.78Å; F263-F285 HydrophobicContact CE2-CE2 3.78Å; F263-F285 HydrophobicContact CE2-CZ 4.17Å; F263-F285 HydrophobicContact CG-CD1 4.3Å; F263-F285 HydrophobicContact CG-CD2 4.01Å; F263-F285 AromaticContact CG-CE1 3.9Å; F263-F285 HydrophobicContact CG-CE1 3.9Å; F263-F285 AromaticContact CG-CE2 3.59Å; F263-F285 HydrophobicContact CG-CE2 3.59Å; F263-F285 HydrophobicContact CG-CG 4.37Å; F263-F285 AromaticContact CG-CZ 3.53Å; F263-F285 HydrophobicContact CG-CZ 3.53Å; F263-F285 CarbonylContact O-C 3.45Å; F263-F285 WeakPolarHBondContact O-CA 3.05Å; F263-T286 PolarHBondContact O-N 3.19Å
264I97.7Very high84.8Confident0 Ų055.4 Ų55.40%027%0.273CS..EExtended strand (participates in β ladder)trans-106.3126.4162.5-65.8163.7000107.3L218 Y219 L220 E221 V266 T286 I288 V300 L302 I303L218-I264 HydrophobicContact CD1-CD1 4.09Å; L218-I264 HydrophobicContact CD1-CG1 4.09Å; L218-I264 HydrophobicContact CD2-CD1 4.04Å; L218-I264 HydrophobicContact CG-CD1 4.47Å; Y219-I264 PolarHBondContact O-N 3.14Å; L220-I264 CarbonylContact C-O 3.57Å; L220-I264 WeakPolarHBondContact CA-O 3.48Å; L220-I264 HydrophobicContact CD1-CB 3.69Å; L220-I264 HydrophobicContact CD1-CG2 3.47Å; L220-I264 VanDerWaalsContact CD1-CG2 3.47Å; E221-I264 PolarHBondContact N-O 3.42Å; I264-V266 HydrophobicContact CG2-CG2 4.14Å; I264-T286 CarbonylContact C-O 3.57Å; I264-T286 VanDerWaalsContact CA-O 3.31Å; I264-T286 WeakPolarHBondContact CA-O 3.34Å; I264-I288 HydrophobicContact CG2-CD1 3.88Å; I264-I288 HydrophobicContact CG2-CG1 4.29Å; I264-V300 HydrophobicContact CD1-CG1 4.33Å; I264-L302 HydrophobicContact CD1-CB 4.2Å; I264-L302 HydrophobicContact CD1-CD2 3.89Å; I264-L302 HydrophobicContact CD1-CG 4.06Å; I264-L302 HydrophobicContact CG1-CD2 3.59Å; I264-L302 HydrophobicContact CG1-CG 4.33Å; I264-I303 HydrophobicContact CD1-CD1 3.67Å; I264-I303 HydrophobicContact CD1-CG1 3.82Å
265V97Very high85.8Confident0 Ų054.4 Ų54.40%027%0.27CS..EExtended strand (participates in β ladder)trans-118.8118.9178.1-59.60000109.8E221 A224 A227 F285 T286 R287 I288E221-V265 HydrophobicContact CB-CG1 4.17Å; A224-V265 HydrophobicContact CB-CB 3.73Å; A224-V265 HydrophobicContact CB-CG1 4.35Å; A227-V265 HydrophobicContact CB-CB 4.19Å; A227-V265 HydrophobicContact CB-CG1 3.85Å; A227-V265 HydrophobicContact CB-CG2 4.2Å; V265-F285 HydrophobicContact CG1-CD1 4.04Å; V265-F285 HydrophobicContact CG1-CE1 4.17Å; V265-T286 PolarHBondContact N-O 3Å; V265-R287 HydrophobicContact CG2-CB 3.62Å; V265-R287 HydrophobicContact CG2-CG 3.88Å; V265-R287 WeakPolarHBondContact O-CA 3.4Å; V265-I288 PolarHBondContact O-N 3.45Å
266V97.1Very high86.8Confident0 Ų053.7 Ų53.70%027%0.266CS..EExtended strand (participates in β ladder)trans-105.3126.3-175.7-178.50000109.4L220 E221 F222 G223 A224 I264 I288 I290 I292 L295L220-V266 HydrophobicContact CD1-CG2 3.83Å; E221-V266 PolarHBondContact O-N 2.86Å; F222-V266 HydrophobicContact CD1-CB 4.44Å; G223-V266 WeakPolarHBondContact CA-O 3.43Å; G223-V266 PolarHBondContact N-O 2.96Å; A224-V266 PolarHBondContact N-O 3.46Å; I264-V266 HydrophobicContact CG2-CG2 4.14Å; V266-I288 WeakPolarHBondContact CA-O 3.38Å; V266-I290 HydrophobicContact CG1-CG2 3.94Å; V266-I292 HydrophobicContact CG1-CG1 4.09Å; V266-L295 HydrophobicContact CB-CD2 4.46Å; V266-L295 HydrophobicContact CG1-CD2 3.81Å; V266-L295 HydrophobicContact CG2-CD2 3.77Å
267E93.9Very high87.3Confident25 Ų2558.7 Ų58.712%0.11728%0.281CS..EExtended strand (participates in β ladder)trans-148.3142.8178171.253.8-124.700110.4G225 N269 I288 T289 I290G225-E267 VanDerWaalsContact CA-OE2 3.22Å; G225-E267 WeakPolarHBondContact CA-OE2 2.97Å; G225-E267 PolarHBondContact N-OE2 3.47Å; E267-N269 WeakPolarHBondContact CG-O 3.39Å; E267-N269 PolarHBondContact OE1-N 3.39Å; E267-I288 PolarHBondContact N-O 2.92Å; E267-I288 VanDerWaalsContact N-O 3.11Å; E267-T289 CarbonylContact O-C 3.55Å; E267-T289 WeakPolarHBondContact O-CA 3.45Å; E267-I290 CarbonylContact C-O 3.6Å; E267-I290 PolarHBondContact O-N 3.26Å
268L90.7Very high86.8Confident96 Ų9657.5 Ų57.550%0.50327%0.273SS..SBendtrans-73.6-42.8177.9177.761.5000111.9T289 I290 N291L268-T289 WeakPolarHBondContact O-CG2 3.38Å; L268-I290 WeakPolarHBondContact CA-O 3.4Å; L268-N291 HydrophobicContact CD1-CB 3.81Å
269N83.9Confident86.4Confident100 Ų10057.8 Ų57.854%0.53527%0.274SS..SBendtrans-103.6143.1-169.9-63.4-66.2000113.2E267 V271E267-N269 WeakPolarHBondContact CG-O 3.39Å; E267-N269 PolarHBondContact OE1-N 3.39Å; N269-V271 PolarHBondContact O-N 2.71Å; N269-V271 VanDerWaalsContact O-N 3.07Å
270S78.1Confident85.9Confident97 Ų9759.4 Ų59.468%0.67828%0.275SS*.  trans-71.1109.1167.5-170.80000110K274S270-K274 PolarHBondContact OG-NZ 3.15Å
271V77.1Confident85.1Confident38 Ų3858 Ų5823%0.2327%0.273CS..  trans-91.9150.7176.7-59.80000112.2G225 R226 N269 K274G225-V271 VanDerWaalsContact O-CG2 3.23Å; G225-V271 WeakPolarHBondContact O-CG2 3.5Å; R226-V271 HydrophobicContact CG-CB 4.49Å; R226-V271 HydrophobicContact CG-CG2 4.1Å; N269-V271 PolarHBondContact O-N 2.71Å; N269-V271 VanDerWaalsContact O-N 3.07Å; V271-K274 HydrophobicContact CG2-CG 3.78Å; V271-K274 VanDerWaalsContact O-CE 3.24Å; V271-K274 WeakPolarHBondContact O-CE 3.24Å
272R73.2Confident84.4Confident210 Ų21061.1 Ų61.179%0.79229%0.287SS*.SBendtrans-80.4160.6168.1-63.9-176.8-179.6-175.8-0.6110.2K274R272-K274 VanDerWaalsContact C-N 3.31Å; R272-K274 PolarHBondContact O-N 3.26Å
273F76.5Confident83.8Confident132 Ų13262.9 Ų62.958%0.57931%0.308SS*.SBendtrans54.844.1174.8-46.8-64.7000113.6S144 R226 M275S144-F273 VanDerWaalsContact CB-O 3.29Å; S144-F273 WeakPolarHBondContact CB-O 3.38Å; R226-F273 WeakPolarHBondContact CD-O 3.24Å; F273-M275 PolarHBondContact O-N 3Å
274K81Confident83.4Confident46 Ų4663 Ų6320%0.231%0.309CS..  trans-54.7119.5172.8-75.6172.6-175.9148.30110.1S270 V271 R272 D276 R277S270-K274 PolarHBondContact OG-NZ 3.15Å; V271-K274 HydrophobicContact CG2-CG 3.78Å; V271-K274 VanDerWaalsContact O-CE 3.24Å; V271-K274 WeakPolarHBondContact O-CE 3.24Å; R272-K274 VanDerWaalsContact C-N 3.31Å; R272-K274 PolarHBondContact O-N 3.26Å; K274-D276 VanDerWaalsContact C-N 3.3Å; K274-D276 WeakPolarHBondContact CB-OD1 3.31Å; K274-R277 PolarHBondContact O-N 3.16Å
275M79.9Confident83.3Confident13 Ų1363.4 Ų63.46%0.06431%0.311CS..THydrogen-bonded Turntrans-72.2-29.2-178.1-62.5-17770.700111.6R226 H231 F273 R277 Q279R226-M275 HydrophobicContact CB-CG 4.19Å; R226-M275 WeakPolarHBondContact O-CB 3.27Å; R226-M275 PolarHBondContact O-N 2.83Å; H231-M275 HydrophobicContact CB-CB 3.97Å; H231-M275 HydrophobicContact CB-CE 4.43Å; H231-M275 VanDerWaalsContact CD2-CE 3.43Å; H231-M275 WeakPolarHBondContact CD2-CE 3.41Å; H231-M275 PolarHBondContact ND1-O 2.89Å; F273-M275 PolarHBondContact O-N 3Å; M275-R277 PolarHBondContact O-N 2.72Å; M275-R277 VanDerWaalsContact O-N 3.16Å; M275-Q279 PolarHBondContact O-OE1 3.11Å
276D84.3Confident83.1Confident0 Ų066.1 Ų66.10%033%0.328CS..THydrogen-bonded Turntrans-71.32.4175.260.7-48.4000114A227 K274 R278 Q279 R280 F285 R287A227-D276 HydrophobicContact CB-CB 3.88Å; K274-D276 VanDerWaalsContact C-N 3.3Å; K274-D276 WeakPolarHBondContact CB-OD1 3.31Å; D276-R278 PolarHBondContact O-N 2.85Å; D276-Q279 VanDerWaalsContact CA-OE1 3.29Å; D276-Q279 PolarHBondContact O-N 2.71Å; D276-R280 HydrophobicContact CB-CG 4.45Å; D276-R280 VanDerWaalsContact O-CG 3.29Å; D276-R280 WeakPolarHBondContact O-CG 3.31Å; D276-R280 PolarHBondContact O-N 2.94Å; D276-R280 IonicContact OD1-NH1 2.69Å; D276-R280 PolarHBondContact OD1-NH1 3.16Å; D276-R280 IonicContact OD2-CZ 2.75Å; D276-R280 IonicContact OD2-NH1 3.02Å; D276-R280 PolarHBondContact OD2-NH1 3.01Å; D276-F285 HydrophobicContact CB-CB 4.38Å; D276-F285 HydrophobicContact CB-CD1 3.46Å; D276-F285 VanDerWaalsContact CB-CD1 3.46Å; D276-F285 HydrophobicContact CB-CE1 3.93Å; D276-F285 HydrophobicContact CB-CG 4.08Å; D276-R287 VanDerWaalsContact CG-NH2 3.34Å; D276-R287 IonicContact OD1-CZ 3.89Å; D276-R287 IonicContact OD1-NE 3.1Å; D276-R287 PolarHBondContact OD1-NE 3.39Å; D276-R287 IonicContact OD1-NH2 3.42Å; D276-R287 PolarHBondContact OD1-NH2 2.95Å; D276-R287 IonicContact OD2-CZ 3.14Å; D276-R287 IonicContact OD2-NE 3.79Å; D276-R287 PolarHBondContact OD2-NE 2.93Å; D276-R287 IonicContact OD2-NH2 2.7Å; D276-R287 PolarHBondContact OD2-NH2 3.2Å
277R80Confident83Confident142 Ų14268 Ų6854%0.53634%0.335SS..Hα-helixtrans-54.6-54.4-174.8-176.7-176.3-65.5-155.7-3.1111.9K274 M275 R280 D281K274-R277 PolarHBondContact O-N 3.16Å; M275-R277 PolarHBondContact O-N 2.72Å; M275-R277 VanDerWaalsContact O-N 3.16Å; R277-R280 PolarHBondContact O-N 2.91Å; R277-D281 PolarHBondContact O-N 3.35Å
278R74.5Confident83Confident83 Ų8367 Ų6731%0.31333%0.33SS..Hα-helixtrans-68.7-39.7-178.4-67.8-170.6-74.3-1693.3112.2S145 G146 D276 R280 D281 E282S145-R278 PolarHBondContact O-NH1 3.18Å; S145-R278 VanDerWaalsContact O-NH1 3.09Å; S145-R278 PolarHBondContact O-NH2 2.68Å; G146-R278 PolarHBondContact O-NH1 3.31Å; G146-R278 PolarHBondContact O-NH2 2.91Å; D276-R278 PolarHBondContact O-N 2.85Å; R278-R280 VanDerWaalsContact C-N 3.28Å; R278-R280 PolarHBondContact O-N 3.37Å; R278-D281 WeakPolarHBondContact O-CA 3.29Å; R278-D281 WeakPolarHBondContact O-CB 2.98Å; R278-D281 PolarHBondContact O-N 2.79Å; R278-E282 PolarHBondContact O-N 3.34Å; R278-E282 VanDerWaalsContact O-N 3.14Å
279Q80.7Confident83.1Confident5 Ų565.4 Ų65.42%0.02332%0.324CS..Hα-helixtrans-69.1-25.1179.7-65.5127.9-38.600113.4H231 N234 N235 V256 M275 D276 G283 N284 F285H231-Q279 PolarHBondContact ND1-NE2 2.84Å; H231-Q279 PolarHBondContact ND1-OE1 3.1Å; N234-Q279 PolarHBondContact ND2-NE2 2.84Å; N235-Q279 PolarHBondContact OD1-NE2 3.26Å; N235-Q279 VanDerWaalsContact OD1-NE2 3.11Å; V256-Q279 WeakPolarHBondContact O-CG 3.29Å; M275-Q279 PolarHBondContact O-OE1 3.11Å; D276-Q279 VanDerWaalsContact CA-OE1 3.29Å; D276-Q279 PolarHBondContact O-N 2.71Å; Q279-G283 PolarHBondContact O-N 2.97Å; Q279-N284 PolarHBondContact O-N 3.17Å; Q279-N284 PolarHBondContact O-OD1 2.89Å; Q279-F285 HydrophobicContact CB-CB 4.44Å; Q279-F285 HydrophobicContact CB-CD2 3.32Å; Q279-F285 HydrophobicContact CB-CE2 3.58Å; Q279-F285 HydrophobicContact CB-CG 3.95Å; Q279-F285 HydrophobicContact CB-CZ 4.39Å; Q279-F285 HydrophobicContact CG-CD2 4.23Å; Q279-F285 HydrophobicContact CG-CE2 3.98Å
280R77.3Confident83.6Confident78 Ų7861.3 Ų61.329%0.29430%0.302SS..Hα-helixtrans-69-36.8168-71.2-162.9-42.9-74.8-18.9112D276 R277 R278 E282 G283 F285D276-R280 HydrophobicContact CB-CG 4.45Å; D276-R280 VanDerWaalsContact O-CG 3.29Å; D276-R280 WeakPolarHBondContact O-CG 3.31Å; D276-R280 PolarHBondContact O-N 2.94Å; D276-R280 IonicContact OD1-NH1 2.69Å; D276-R280 PolarHBondContact OD1-NH1 3.16Å; D276-R280 IonicContact OD2-CZ 2.75Å; D276-R280 IonicContact OD2-NH1 3.02Å; D276-R280 PolarHBondContact OD2-NH1 3.01Å; R277-R280 PolarHBondContact O-N 2.91Å; R278-R280 VanDerWaalsContact C-N 3.28Å; R278-R280 PolarHBondContact O-N 3.37Å; R280-E282 VanDerWaalsContact C-N 3.26Å; R280-E282 PolarHBondContact O-N 2.8Å; R280-G283 PolarHBondContact O-N 3.07Å; R280-F285 HydrophobicContact CB-CB 4.49Å; R280-F285 HydrophobicContact CG-CB 3.6Å; R280-F285 WeakPolarHBondContact CG-O 3.49Å
281D76.4Confident84.4Confident129 Ų12959.6 Ų59.669%0.6929%0.285SS*.Hα-helixtrans-65.4-33.4177.3-55.5-28.6000110.5R277 R278 G283R277-D281 PolarHBondContact O-N 3.35Å; R278-D281 WeakPolarHBondContact O-CA 3.29Å; R278-D281 WeakPolarHBondContact O-CB 2.98Å; R278-D281 PolarHBondContact O-N 2.79Å; D281-G283 VanDerWaalsContact C-N 3.26Å; D281-G283 PolarHBondContact O-N 3.48Å
282E78.7Confident85.3Confident68 Ų6858.5 Ų58.532%0.31828%0.278SS..THydrogen-bonded Turntrans-74.8-7.1171.5-63.6-63.1162.900115.3V256 K257 R278 R280 N284V256-E282 HydrophobicContact CB-CG 3.8Å; V256-E282 HydrophobicContact CG1-CG 3.44Å; V256-E282 VanDerWaalsContact CG1-CG 3.44Å; K257-E282 PolarHBondContact NZ-O 2.89Å; R278-E282 PolarHBondContact O-N 3.34Å; R278-E282 VanDerWaalsContact O-N 3.14Å; R280-E282 VanDerWaalsContact C-N 3.26Å; R280-E282 PolarHBondContact O-N 2.8Å; E282-N284 PolarHBondContact O-N 3.23Å
283G83.6Confident86.4Confident58 Ų5849 Ų4960%0.59825%0.245SC*.THydrogen-bonded Turntrans77.314.5173.400000116.6Q279 R280 D281Q279-G283 PolarHBondContact O-N 2.97Å; R280-G283 PolarHBondContact O-N 3.07Å; D281-G283 VanDerWaalsContact C-N 3.26Å; D281-G283 PolarHBondContact O-N 3.48Å
284N90.8Very high87.4Confident3 Ų344.4 Ų44.42%0.01623%0.226CC..  trans-102.5-4.9175.575.7-36.8000114.8N234 K257 S262 F263 Q279 E282N234-N284 PolarHBondContact OD1-ND2 3.13Å; K257-N284 HydrophobicContact CD-CB 4.35Å; K257-N284 HydrophobicContact CG-CB 4.08Å; S262-N284 CarbonylContact C-O 3.42Å; S262-N284 WeakPolarHBondContact CA-O 3.4Å; F263-N284 PolarHBondContact N-O 3.31Å; Q279-N284 PolarHBondContact O-N 3.17Å; Q279-N284 PolarHBondContact O-OD1 2.89Å; E282-N284 PolarHBondContact O-N 3.23Å
285F93.7Very high88.2Confident8 Ų842.2 Ų42.24%0.03522%0.216CC..EExtended strand (participates in β ladder)trans-112.7134.3173.9-83.9-115.7000112.2N234 F263 V265 D276 Q279 R280N234-F285 HydrophobicContact CB-CE2 3.9Å; N234-F285 HydrophobicContact CB-CZ 4.03Å; F263-F285 HydrophobicContact CB-CD1 3.69Å; F263-F285 HydrophobicContact CB-CD2 3.9Å; F263-F285 HydrophobicContact CB-CE1 3.74Å; F263-F285 HydrophobicContact CB-CE2 3.95Å; F263-F285 HydrophobicContact CB-CG 3.8Å; F263-F285 HydrophobicContact CB-CZ 3.87Å; F263-F285 HydrophobicContact CD1-CE1 4.33Å; F263-F285 HydrophobicContact CD1-CE2 4.4Å; F263-F285 AromaticContact CD1-CZ 3.96Å; F263-F285 HydrophobicContact CD1-CZ 3.96Å; F263-F285 AromaticContact CD2-CD2 3.67Å; F263-F285 HydrophobicContact CD2-CD2 3.67Å; F263-F285 HydrophobicContact CD2-CE1 4.38Å; F263-F285 AromaticContact CD2-CE2 3.21Å; F263-F285 HydrophobicContact CD2-CE2 3.21Å; F263-F285 HydrophobicContact CD2-CG 4.43Å; F263-F285 AromaticContact CD2-CZ 3.63Å; F263-F285 HydrophobicContact CD2-CZ 3.63Å; F263-F285 HydrophobicContact CE1-CZ 4.47Å; F263-F285 AromaticContact CE2-CE2 3.78Å; F263-F285 HydrophobicContact CE2-CE2 3.78Å; F263-F285 HydrophobicContact CE2-CZ 4.17Å; F263-F285 HydrophobicContact CG-CD1 4.3Å; F263-F285 HydrophobicContact CG-CD2 4.01Å; F263-F285 AromaticContact CG-CE1 3.9Å; F263-F285 HydrophobicContact CG-CE1 3.9Å; F263-F285 AromaticContact CG-CE2 3.59Å; F263-F285 HydrophobicContact CG-CE2 3.59Å; F263-F285 HydrophobicContact CG-CG 4.37Å; F263-F285 AromaticContact CG-CZ 3.53Å; F263-F285 HydrophobicContact CG-CZ 3.53Å; F263-F285 CarbonylContact O-C 3.45Å; F263-F285 WeakPolarHBondContact O-CA 3.05Å; V265-F285 HydrophobicContact CG1-CD1 4.04Å; V265-F285 HydrophobicContact CG1-CE1 4.17Å; D276-F285 HydrophobicContact CB-CB 4.38Å; D276-F285 HydrophobicContact CB-CD1 3.46Å; D276-F285 VanDerWaalsContact CB-CD1 3.46Å; D276-F285 HydrophobicContact CB-CE1 3.93Å; D276-F285 HydrophobicContact CB-CG 4.08Å; Q279-F285 HydrophobicContact CB-CB 4.44Å; Q279-F285 HydrophobicContact CB-CD2 3.32Å; Q279-F285 HydrophobicContact CB-CE2 3.58Å; Q279-F285 HydrophobicContact CB-CG 3.95Å; Q279-F285 HydrophobicContact CB-CZ 4.39Å; Q279-F285 HydrophobicContact CG-CD2 4.23Å; Q279-F285 HydrophobicContact CG-CE2 3.98Å; R280-F285 HydrophobicContact CB-CB 4.49Å; R280-F285 HydrophobicContact CG-CB 3.6Å; R280-F285 WeakPolarHBondContact CG-O 3.49Å
286T94.3Very high89Confident58 Ų5842.4 Ų42.436%0.35622%0.218SC..EExtended strand (participates in β ladder)trans-120.3119.7171.1-65.20000108.9F263 I264 V265 I288F263-T286 PolarHBondContact O-N 3.19Å; I264-T286 CarbonylContact C-O 3.57Å; I264-T286 VanDerWaalsContact CA-O 3.31Å; I264-T286 WeakPolarHBondContact CA-O 3.34Å; V265-T286 PolarHBondContact N-O 3Å; T286-I288 HydrophobicContact CG2-CG1 4.37Å
287R93.4Very high89.7Confident39 Ų3942.5 Ų42.515%0.14722%0.218CC..EExtended strand (participates in β ladder)trans-103.4121.8178.9177172.9-74-89.39.2111.1G225 A227 V265 D276G225-R287 PolarHBondContact O-NH1 2.96Å; G225-R287 PolarHBondContact O-NH2 3.07Å; G225-R287 VanDerWaalsContact O-NH2 3.12Å; A227-R287 VanDerWaalsContact CB-NH2 3.28Å; V265-R287 HydrophobicContact CG2-CB 3.62Å; V265-R287 HydrophobicContact CG2-CG 3.88Å; V265-R287 WeakPolarHBondContact O-CA 3.4Å; D276-R287 VanDerWaalsContact CG-NH2 3.34Å; D276-R287 IonicContact OD1-CZ 3.89Å; D276-R287 IonicContact OD1-NE 3.1Å; D276-R287 PolarHBondContact OD1-NE 3.39Å; D276-R287 IonicContact OD1-NH2 3.42Å; D276-R287 PolarHBondContact OD1-NH2 2.95Å; D276-R287 IonicContact OD2-CZ 3.14Å; D276-R287 IonicContact OD2-NE 3.79Å; D276-R287 PolarHBondContact OD2-NE 2.93Å; D276-R287 IonicContact OD2-NH2 2.7Å; D276-R287 PolarHBondContact OD2-NH2 3.2Å
288I94.8Very high90.5Very high4 Ų436.6 Ų36.62%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-107.5118.6176.5-56.3179.6000108.7Y71 I264 V265 V266 E267 T286 I290 V300Y71-I288 HydrophobicContact CD2-CG2 4.26Å; Y71-I288 HydrophobicContact CE2-CG2 3.51Å; I264-I288 HydrophobicContact CG2-CD1 3.88Å; I264-I288 HydrophobicContact CG2-CG1 4.29Å; V265-I288 PolarHBondContact O-N 3.45Å; V266-I288 WeakPolarHBondContact CA-O 3.38Å; E267-I288 PolarHBondContact N-O 2.92Å; E267-I288 VanDerWaalsContact N-O 3.11Å; T286-I288 HydrophobicContact CG2-CG1 4.37Å; I288-I290 HydrophobicContact CG2-CB 4.1Å; I288-I290 HydrophobicContact CG2-CG2 3.62Å; I288-V300 HydrophobicContact CD1-CG1 3.84Å; I288-V300 HydrophobicContact CD1-CG2 3.93Å
289T93.4Very high91.6Very high62 Ų6238.6 Ų38.638%0.3821%0.207SC..EExtended strand (participates in β ladder)trans-96.296.1176.4-53.10000110.5E267 L268E267-T289 CarbonylContact O-C 3.55Å; E267-T289 WeakPolarHBondContact O-CA 3.45Å; L268-T289 WeakPolarHBondContact O-CG2 3.38Å
290I94Very high92.3Very high14 Ų1438.5 Ų38.57%0.07221%0.207CC..SBendtrans-155.2157-173-164.2168.1000111Y71 D72 V266 E267 L268 I288 L295Y71-I290 HydrophobicContact CD2-CD1 3.94Å; Y71-I290 HydrophobicContact CE2-CD1 4.19Å; D72-I290 HydrophobicContact CB-CD1 3.96Å; V266-I290 HydrophobicContact CG1-CG2 3.94Å; E267-I290 CarbonylContact C-O 3.6Å; E267-I290 PolarHBondContact O-N 3.26Å; L268-I290 WeakPolarHBondContact CA-O 3.4Å; I288-I290 HydrophobicContact CG2-CB 4.1Å; I288-I290 HydrophobicContact CG2-CG2 3.62Å; I290-L295 HydrophobicContact CD1-CB 4.21Å; I290-L295 HydrophobicContact CD1-CD1 4.32Å; I290-L295 HydrophobicContact CG2-CB 3.96Å; I290-L295 HydrophobicContact CG2-CD1 4.15Å; I290-L295 HydrophobicContact CG2-CD2 4.07Å; I290-L295 HydrophobicContact CG2-CG 4.28Å
291N94.6Very high93.1Very high61 Ų6137.9 Ų37.933%0.32621%0.213SC..  trans-74132.2165.6-175-1000109.9L268 A293 D294 L295L268-N291 HydrophobicContact CD1-CB 3.81Å; N291-A293 PolarHBondContact O-N 3.17Å; N291-A293 PolarHBondContact OD1-N 2.72Å; N291-A293 VanDerWaalsContact OD1-N 3.16Å; N291-D294 HydrophobicContact CB-CB 4.48Å; N291-D294 VanDerWaalsContact CB-OD2 3.31Å; N291-D294 WeakPolarHBondContact CB-OD2 3.33Å; N291-D294 PolarHBondContact ND2-OD2 3.05Å; N291-D294 PolarHBondContact O-N 3.24Å; N291-L295 PolarHBondContact O-N 3.06Å
292I96.7Very high94Very high16 Ų1633.8 Ų33.88%0.08219%0.191CC..G310 helixtrans-60.4-30.3179-58.9170.5000110.8N77 F222 V266 D294 L295 L317 L324 C328N77-I292 PolarHBondContact ND2-O 3.08Å; F222-I292 HydrophobicContact CB-CD1 4.23Å; F222-I292 HydrophobicContact CD1-CD1 3.94Å; F222-I292 HydrophobicContact CD1-CG1 4.15Å; F222-I292 HydrophobicContact CD1-CG2 4.18Å; F222-I292 HydrophobicContact CE1-CG2 4.17Å; V266-I292 HydrophobicContact CG1-CG1 4.09Å; I292-D294 PolarHBondContact O-N 2.77Å; I292-D294 VanDerWaalsContact O-N 3.15Å; I292-L295 PolarHBondContact O-N 3.15Å; I292-L317 HydrophobicContact CD1-CD1 4.12Å; I292-L324 HydrophobicContact CG2-CB 3.92Å; I292-C328 HydrophobicContact CG2-CB 4.35Å
293A96.1Very high94.8Very high11 Ų1130.6 Ų30.69%0.09118%0.176CC..G310 helixtrans-59.7-24.417500000113.9G75 I76 N77 N291 L324G75-A293 CarbonylContact C-O 3.39Å; G75-A293 VanDerWaalsContact C-O 3.26Å; G75-A293 WeakPolarHBondContact CA-O 3.42Å; I76-A293 PolarHBondContact N-O 3.26Å; N77-A293 PolarHBondContact N-O 3.05Å; N291-A293 PolarHBondContact O-N 3.17Å; N291-A293 PolarHBondContact OD1-N 2.72Å; N291-A293 VanDerWaalsContact OD1-N 3.16Å; A293-L324 HydrophobicContact CB-CD1 4.13Å; A293-L324 HydrophobicContact CB-CD2 4.12Å
294D96.4Very high95.4Very high34 Ų3432.3 Ų32.318%0.18217%0.169CC..G310 helixtrans-111.83-172.1-52.2-45.5000112.7V73 T74 G75 N291 I292V73-D294 CarbonylContact C-O 3.48Å; V73-D294 PolarHBondContact N-O 3.03Å; V73-D294 CarbonylContact O-C 3.6Å; V73-D294 VanDerWaalsContact O-CA 3.29Å; V73-D294 WeakPolarHBondContact O-CA 3.45Å; T74-D294 WeakPolarHBondContact CA-OD1 3.38Å; G75-D294 PolarHBondContact N-OD1 2.89Å; N291-D294 HydrophobicContact CB-CB 4.48Å; N291-D294 VanDerWaalsContact CB-OD2 3.31Å; N291-D294 WeakPolarHBondContact CB-OD2 3.33Å; N291-D294 PolarHBondContact ND2-OD2 3.05Å; N291-D294 PolarHBondContact O-N 3.24Å; I292-D294 PolarHBondContact O-N 2.77Å; I292-D294 VanDerWaalsContact O-N 3.15Å
295L97.7Very high95.6Very high0 Ų039.1 Ų39.10%020%0.2CC..BIsolated β-bridgetrans-91.2111.6-174.5174.257.5000112.5Y71 N77 F222 V266 I290 N291 I292 L297 V300 C328Y71-L295 HydrophobicContact CD2-CD1 3.91Å; Y71-L295 HydrophobicContact CG-CD1 4.35Å; N77-L295 PolarHBondContact ND2-O 3.21Å; F222-L295 HydrophobicContact CE1-CD2 4.49Å; V266-L295 HydrophobicContact CB-CD2 4.46Å; V266-L295 HydrophobicContact CG1-CD2 3.81Å; V266-L295 HydrophobicContact CG2-CD2 3.77Å; I290-L295 HydrophobicContact CD1-CB 4.21Å; I290-L295 HydrophobicContact CD1-CD1 4.32Å; I290-L295 HydrophobicContact CG2-CB 3.96Å; I290-L295 HydrophobicContact CG2-CD1 4.15Å; I290-L295 HydrophobicContact CG2-CD2 4.07Å; I290-L295 HydrophobicContact CG2-CG 4.28Å; N291-L295 PolarHBondContact O-N 3.06Å; I292-L295 PolarHBondContact O-N 3.15Å; L295-L297 HydrophobicContact CD2-CD2 4.03Å; L295-L297 HydrophobicContact CD2-CG 4.43Å; L295-L297 HydrophobicContact CG-CD2 4.28Å; L295-L297 HydrophobicContact CG-CG 4.36Å; L295-V300 HydrophobicContact CD1-CG2 4Å; L295-C328 PolarHBondContact O-SG 3.43Å
296D97.8Very high95.6Very high18 Ų1839.3 Ų39.310%0.09620%0.202CC..  trans-92.297.6168.7-174.2-4000110.8Y71 V73 I76 A298 R299Y71-D296 VanDerWaalsContact CB-O 3.27Å; Y71-D296 WeakPolarHBondContact CB-O 3.48Å; Y71-D296 PolarHBondContact O-N 2.8Å; V73-D296 HydrophobicContact CB-CB 4.24Å; V73-D296 HydrophobicContact CG2-CB 3.8Å; I76-D296 HydrophobicContact CG2-CB 4.43Å; D296-A298 PolarHBondContact O-N 3.36Å; D296-A298 VanDerWaalsContact OD1-CB 3.26Å; D296-A298 WeakPolarHBondContact OD1-CB 3.21Å; D296-A298 PolarHBondContact OD1-N 3.43Å; D296-R299 HydrophobicContact CB-CB 4.44Å; D296-R299 HydrophobicContact CB-CG 4.4Å; D296-R299 PolarHBondContact O-N 2.92Å; D296-R299 VanDerWaalsContact O-N 3.11Å; D296-R299 WeakPolarHBondContact OD2-CD 3.12Å; D296-R299 VanDerWaalsContact OD2-CG 3.31Å; D296-R299 WeakPolarHBondContact OD2-CG 3.3Å; D296-R299 IonicContact OD2-CZ 2.6Å; D296-R299 IonicContact OD2-NE 2.92Å; D296-R299 PolarHBondContact OD2-NE 2.96Å
297L98.3Very high95.6Very high1 Ų144.6 Ų44.61%0.00522%0.22CC..G310 helixtrans-60.5-28177.7-76173.9000113L220 F222 L295 R299 V300 I303 C328 L329 A332L220-L297 HydrophobicContact CD1-CD2 4.39Å; L220-L297 HydrophobicContact CD2-CD1 3.64Å; L220-L297 HydrophobicContact CD2-CD2 3.91Å; L220-L297 HydrophobicContact CD2-CG 4.45Å; F222-L297 HydrophobicContact CZ-CD1 4.02Å; L295-L297 HydrophobicContact CD2-CD2 4.03Å; L295-L297 HydrophobicContact CD2-CG 4.43Å; L295-L297 HydrophobicContact CG-CD2 4.28Å; L295-L297 HydrophobicContact CG-CG 4.36Å; L297-R299 PolarHBondContact O-N 3.15Å; L297-R299 VanDerWaalsContact O-N 3.15Å; L297-V300 HydrophobicContact CD2-CG2 4.31Å; L297-V300 PolarHBondContact O-N 2.93Å; L297-V300 VanDerWaalsContact O-N 3.16Å; L297-I303 HydrophobicContact CD2-CG1 4.35Å; L297-I303 WeakPolarHBondContact O-CB 3.38Å; L297-I303 WeakPolarHBondContact O-CG2 2.95Å; L297-C328 VanDerWaalsContact CD1-SG 3.56Å; L297-C328 VanDerWaalsContact CG-SG 3.54Å; L297-L329 HydrophobicContact CD1-CD2 4.11Å; L297-A332 HydrophobicContact CB-CB 3.5Å
298A97Very high95.7Very high19 Ų1945.8 Ų45.816%0.15723%0.225CC..G310 helixtrans-66.7-15.5178.700000112.7D296 Q304 A332 V335D296-A298 PolarHBondContact O-N 3.36Å; D296-A298 VanDerWaalsContact OD1-CB 3.26Å; D296-A298 WeakPolarHBondContact OD1-CB 3.21Å; D296-A298 PolarHBondContact OD1-N 3.43Å; A298-Q304 VanDerWaalsContact O-CG 3.24Å; A298-Q304 WeakPolarHBondContact O-CG 3.5Å; A298-Q304 PolarHBondContact O-NE2 3.08Å; A298-A332 HydrophobicContact CB-CB 4.25Å; A298-V335 HydrophobicContact CB-CB 4.3Å; A298-V335 HydrophobicContact CB-CG2 3.82Å
299R97.1Very high95.9Very high124 Ų12447.7 Ų47.747%0.46824%0.237SC..G310 helixtrans-108.76.8178.6-63.3-178.6-170.9-153.9-5.6113.6A70 D296 L297 P301A70-R299 WeakPolarHBondContact O-CD 3.45Å; D296-R299 HydrophobicContact CB-CB 4.44Å; D296-R299 HydrophobicContact CB-CG 4.4Å; D296-R299 PolarHBondContact O-N 2.92Å; D296-R299 VanDerWaalsContact O-N 3.11Å; D296-R299 WeakPolarHBondContact OD2-CD 3.12Å; D296-R299 VanDerWaalsContact OD2-CG 3.31Å; D296-R299 WeakPolarHBondContact OD2-CG 3.3Å; D296-R299 IonicContact OD2-CZ 2.6Å; D296-R299 IonicContact OD2-NE 2.92Å; D296-R299 PolarHBondContact OD2-NE 2.96Å; L297-R299 PolarHBondContact O-N 3.15Å; L297-R299 VanDerWaalsContact O-N 3.15Å; R299-P301 WeakPolarHBondContact O-CD 3.02Å
300V97.1Very high96.1Very high3 Ų344.8 Ų44.82%0.01822%0.219CC..  trans-80.8120.3171.8174.90000108.1Y71 I264 I288 L295 L297 L302 I303 Q304Y71-V300 HydrophobicContact CD1-CG2 3.98Å; Y71-V300 HydrophobicContact CG-CG2 3.88Å; I264-V300 HydrophobicContact CD1-CG1 4.33Å; I288-V300 HydrophobicContact CD1-CG1 3.84Å; I288-V300 HydrophobicContact CD1-CG2 3.93Å; L295-V300 HydrophobicContact CD1-CG2 4Å; L297-V300 HydrophobicContact CD2-CG2 4.31Å; L297-V300 PolarHBondContact O-N 2.93Å; L297-V300 VanDerWaalsContact O-N 3.16Å; V300-L302 VanDerWaalsContact C-N 3.32Å; V300-L302 HydrophobicContact CG1-CB 4.46Å; V300-L302 PolarHBondContact O-N 3.05Å; V300-I303 HydrophobicContact CB-CB 4.13Å; V300-I303 HydrophobicContact CB-CG1 3.84Å; V300-I303 HydrophobicContact CG1-CB 4.48Å; V300-I303 HydrophobicContact CG1-CG1 3.94Å; V300-I303 WeakPolarHBondContact O-CA 3.43Å; V300-I303 WeakPolarHBondContact O-CB 3.25Å; V300-I303 PolarHBondContact O-N 3.13Å; V300-Q304 PolarHBondContact O-N 3.31Å; V300-Q304 VanDerWaalsContact O-N 3.1Å
301P93.9Very high96.3Very high65 Ų6544.4 Ų44.442%0.42222%0.217SC..Hα-helixtrans-54.6-45.2-175-2935.7000113.5R299 I303 Q304 E305R299-P301 WeakPolarHBondContact O-CD 3.02Å; P301-I303 PolarHBondContact O-N 3.01Å; P301-Q304 PolarHBondContact O-N 3.14Å; P301-Q304 VanDerWaalsContact O-N 3.07Å; P301-E305 WeakPolarHBondContact O-CB 3.26Å; P301-E305 WeakPolarHBondContact O-CG 3.46Å; P301-E305 PolarHBondContact O-N 3.28Å
302L93.8Very high96.5Very high43 Ų4341.5 Ų41.523%0.22520%0.202CC..Hα-helixtrans-62.3-26.2178-176.158.4000113L218 I264 V300 N306L218-L302 HydrophobicContact CD1-CD2 4.32Å; I264-L302 HydrophobicContact CD1-CB 4.2Å; I264-L302 HydrophobicContact CD1-CD2 3.89Å; I264-L302 HydrophobicContact CD1-CG 4.06Å; I264-L302 HydrophobicContact CG1-CD2 3.59Å; I264-L302 HydrophobicContact CG1-CG 4.33Å; V300-L302 VanDerWaalsContact C-N 3.32Å; V300-L302 HydrophobicContact CG1-CB 4.46Å; V300-L302 PolarHBondContact O-N 3.05Å; L302-N306 WeakPolarHBondContact O-CB 3.42Å; L302-N306 PolarHBondContact O-N 3.05Å
303I96.9Very high96.6Very high1 Ų140.7 Ų40.71%0.00520%0.198CC..Hα-helixtrans-77.4-42.9173.8-65.2-72.8000110.5L218 I264 L297 V300 P301 E305 N306 L310 V335 M336L218-I303 HydrophobicContact CD2-CD1 3.8Å; I264-I303 HydrophobicContact CD1-CD1 3.67Å; I264-I303 HydrophobicContact CD1-CG1 3.82Å; L297-I303 HydrophobicContact CD2-CG1 4.35Å; L297-I303 WeakPolarHBondContact O-CB 3.38Å; L297-I303 WeakPolarHBondContact O-CG2 2.95Å; V300-I303 HydrophobicContact CB-CB 4.13Å; V300-I303 HydrophobicContact CB-CG1 3.84Å; V300-I303 HydrophobicContact CG1-CB 4.48Å; V300-I303 HydrophobicContact CG1-CG1 3.94Å; V300-I303 WeakPolarHBondContact O-CA 3.43Å; V300-I303 WeakPolarHBondContact O-CB 3.25Å; V300-I303 PolarHBondContact O-N 3.13Å; P301-I303 PolarHBondContact O-N 3.01Å; I303-E305 VanDerWaalsContact C-N 3.35Å; I303-E305 PolarHBondContact O-N 3.04Å; I303-N306 PolarHBondContact O-N 3.26Å; I303-L310 HydrophobicContact CD1-CD1 3.38Å; I303-V335 HydrophobicContact CG2-CG1 4.29Å; I303-M336 HydrophobicContact CG2-CB 3.87Å
304Q95.3Very high96.7Very high94 Ų9440.2 Ų40.244%0.43919%0.193SC..Hα-helixtrans-63.3-40.4-179.6-66.3178.9-35.600112.6A298 V300 P301 V335A298-Q304 VanDerWaalsContact O-CG 3.24Å; A298-Q304 WeakPolarHBondContact O-CG 3.5Å; A298-Q304 PolarHBondContact O-NE2 3.08Å; V300-Q304 PolarHBondContact O-N 3.31Å; V300-Q304 VanDerWaalsContact O-N 3.1Å; P301-Q304 PolarHBondContact O-N 3.14Å; P301-Q304 VanDerWaalsContact O-N 3.07Å; Q304-V335 HydrophobicContact CG-CG1 4.11Å
305E94.6Very high96.6Very high146 Ų14639.8 Ų39.868%0.68219%0.19SC*.Hα-helixtrans-81.3-22.5-178-66.7167.9-166.400112.5P301 I303P301-E305 WeakPolarHBondContact O-CB 3.26Å; P301-E305 WeakPolarHBondContact O-CG 3.46Å; P301-E305 PolarHBondContact O-N 3.28Å; I303-E305 VanDerWaalsContact C-N 3.35Å; I303-E305 PolarHBondContact O-N 3.04Å
306N94.8Very high95.9Very high13 Ų1342.6 Ų42.67%0.0720%0.203CC..  trans-81.9122.8-174.6177.181000112.7L218 L302 I303 R308L218-N306 HydrophobicContact CD2-CB 3.94Å; L302-N306 WeakPolarHBondContact O-CB 3.42Å; L302-N306 PolarHBondContact O-N 3.05Å; I303-N306 PolarHBondContact O-N 3.26Å; N306-R308 PolarHBondContact ND2-N 2.82Å; N306-R308 PolarHBondContact ND2-O 3.47Å; N306-R308 WeakPolarHBondContact OD1-CB 3.41Å; N306-R308 PolarHBondContact OD1-NE 2.93Å; N306-R308 PolarHBondContact OD1-NH2 3.38Å; N306-R308 VanDerWaalsContact OD1-NH2 3.15Å
307K93.5Very high95.1Very high169 Ų16942.1 Ų42.174%0.73520%0.2SC*.  trans-98.6-11.1172.5-56-53.4-179.4-162.10114.3
308R96.1Very high94.5Very high64 Ų6445 Ų4524%0.24222%0.22CC..SBendtrans-68.5154.9-179.4-65.2172.6-62.3175.3-2.1111.8G216 E260 S262 N306 L310G216-R308 VanDerWaalsContact O-CB 3.31Å; G216-R308 WeakPolarHBondContact O-CB 3.36Å; G216-R308 VanDerWaalsContact O-CD 3.27Å; G216-R308 WeakPolarHBondContact O-CD 3.24Å; G216-R308 WeakPolarHBondContact O-CG 3.31Å; E260-R308 VanDerWaalsContact C-NH1 3.27Å; E260-R308 PolarHBondContact O-NH1 2.91Å; S262-R308 PolarHBondContact OG-NH1 3.36Å; S262-R308 PolarHBondContact OG-NH2 3.18Å; N306-R308 PolarHBondContact ND2-N 2.82Å; N306-R308 PolarHBondContact ND2-O 3.47Å; N306-R308 WeakPolarHBondContact OD1-CB 3.41Å; N306-R308 PolarHBondContact OD1-NE 2.93Å; N306-R308 PolarHBondContact OD1-NH2 3.38Å; N306-R308 VanDerWaalsContact OD1-NH2 3.15Å; R308-L310 PolarHBondContact O-N 3.44Å
309P97.8Very high94.1Very high44 Ų4444.1 Ų44.129%0.28621%0.213SC..PPolyproline II helixtrans-52136.2169.9-23.634000111.6N217 L218 S339N217-P309 WeakPolarHBondContact OD1-CB 3.37Å; L218-P309 PolarHBondContact N-O 3.38Å; P309-S339 WeakPolarHBondContact CB-OG 3.41Å
310L98.4Very high94Very high0 Ų039.8 Ų39.80%020%0.199CC..EExtended strand (participates in β ladder)trans-102.9127.3174.5-176.1150.1000109.9L218 L220 I303 R308 A312 L329 M336 N337 L338 S339 G340L218-L310 HydrophobicContact CD2-CD1 4.07Å; L218-L310 HydrophobicContact CG-CD1 4.32Å; L218-L310 CarbonylContact O-C 3.42Å; L218-L310 VanDerWaalsContact O-CA 3.28Å; L218-L310 WeakPolarHBondContact O-CA 3.28Å; L220-L310 HydrophobicContact CB-CD1 4.42Å; L220-L310 HydrophobicContact CB-CD2 4.24Å; L220-L310 HydrophobicContact CB-CG 4.44Å; L220-L310 HydrophobicContact CD2-CD1 4.48Å; L220-L310 HydrophobicContact CD2-CD2 4.45Å; I303-L310 HydrophobicContact CD1-CD1 3.38Å; R308-L310 PolarHBondContact O-N 3.44Å; L310-A312 HydrophobicContact CD2-CB 4.25Å; L310-L329 HydrophobicContact CD2-CD2 4.34Å; L310-M336 HydrophobicContact CD1-CB 4.45Å; L310-M336 HydrophobicContact CD1-SD 3.92Å; L310-M336 HydrophobicContact CD2-SD 4.3Å; L310-N337 PolarHBondContact N-O 3.27Å; L310-L338 HydrophobicContact CD2-CD1 3.65Å; L310-S339 PolarHBondContact O-N 3.47Å; L310-G340 PolarHBondContact O-N 3.17Å
311I98.6Very high93.9Very high6 Ų641 Ų413%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-112.7113.3174.6-50.4-56.6000108.5L212 N217 L218 Y219 L220 V313 G340L212-I311 HydrophobicContact CB-CG2 4.22Å; L212-I311 HydrophobicContact CD2-CD1 4.19Å; N217-I311 HydrophobicContact CB-CG1 4.35Å; L218-I311 PolarHBondContact O-N 2.91Å; Y219-I311 WeakPolarHBondContact CA-O 3.44Å; Y219-I311 HydrophobicContact CD1-CB 3.83Å; Y219-I311 HydrophobicContact CD1-CG2 4.06Å; Y219-I311 HydrophobicContact CE1-CB 3.75Å; Y219-I311 HydrophobicContact CE1-CG1 4.16Å; Y219-I311 HydrophobicContact CE1-CG2 3.79Å; L220-I311 PolarHBondContact N-O 2.88Å; I311-V313 HydrophobicContact CG2-CG1 4.17Å; I311-G340 WeakPolarHBondContact CA-O 3.15Å
312A98.7Very high94.1Very high0 Ų037.9 Ų37.90%019%0.189CC..EExtended strand (participates in β ladder)trans-86.9129.3177.700000110.2L220 F222 L310 L329 L338 G340 I341 M342 F343L220-A312 CarbonylContact O-C 3.51Å; L220-A312 WeakPolarHBondContact O-CA 3.37Å; F222-A312 HydrophobicContact CE2-CB 4.38Å; L310-A312 HydrophobicContact CD2-CB 4.25Å; A312-L329 HydrophobicContact CB-CD1 3.75Å; A312-L329 HydrophobicContact CB-CD2 3.99Å; A312-L329 HydrophobicContact CB-CG 4.5Å; A312-L338 HydrophobicContact CB-CD1 4.42Å; A312-G340 PolarHBondContact N-O 3.21Å; A312-I341 HydrophobicContact CB-CG1 4.25Å; A312-I341 CarbonylContact O-C 3.57Å; A312-I341 VanDerWaalsContact O-CA 3.26Å; A312-I341 WeakPolarHBondContact O-CA 3.35Å; A312-M342 PolarHBondContact O-N 3.32Å; A312-F343 HydrophobicContact CB-CE1 4.03Å; A312-F343 HydrophobicContact CB-CZ 4.41Å
313V98.7Very high94.3Very high0 Ų035.9 Ų35.90%018%0.178CC..EExtended strand (participates in β ladder)trans-127.7152-179.9-58.90000111L207 Y219 L220 E221 F222 L229 I233 I311 M342L207-V313 HydrophobicContact CD2-CG1 4.07Å; Y219-V313 HydrophobicContact CD1-CG1 4.18Å; L220-V313 PolarHBondContact O-N 2.82Å; E221-V313 CarbonylContact C-O 3.58Å; E221-V313 VanDerWaalsContact CA-O 3.27Å; E221-V313 WeakPolarHBondContact CA-O 3.27Å; E221-V313 HydrophobicContact CB-CG2 3.81Å; E221-V313 HydrophobicContact CG-CG2 4.1Å; F222-V313 PolarHBondContact N-O 3.09Å; L229-V313 HydrophobicContact CD2-CB 3.95Å; L229-V313 HydrophobicContact CD2-CG2 4.04Å; I233-V313 HydrophobicContact CD1-CG1 4.41Å; I233-V313 HydrophobicContact CD1-CG2 4.34Å; I311-V313 HydrophobicContact CG2-CG1 4.17Å; V313-M342 CarbonylContact C-O 3.54Å; V313-M342 VanDerWaalsContact CA-O 3.25Å; V313-M342 WeakPolarHBondContact CA-O 3.14Å; V313-M342 HydrophobicContact CB-CE 4.5Å; V313-M342 HydrophobicContact CG1-CB 4.38Å
314A98Very high94.3Very high0 Ų036.7 Ų36.70%018%0.183CC..EExtended strand (participates in β ladder)trans-154.6144.5171.800000111F222 L317 M342 F343 A344F222-A314 HydrophobicContact CB-CB 4.29Å; A314-L317 HydrophobicContact CB-CB 3.91Å; A314-L317 HydrophobicContact CB-CD2 3.78Å; A314-L317 HydrophobicContact CB-CG 4.42Å; A314-M342 PolarHBondContact N-O 3.4Å; A314-M342 WeakPolarHBondContact O-CE 3.35Å; A314-F343 HydrophobicContact CB-CB 4.41Å; A314-F343 HydrophobicContact CB-CD1 3.48Å; A314-F343 VanDerWaalsContact CB-CD1 3.48Å; A314-F343 HydrophobicContact CB-CE1 3.84Å; A314-F343 HydrophobicContact CB-CG 3.94Å; A314-A344 PolarHBondContact O-N 3.34Å
315K94.4Very high94.4Very high26 Ų2632.2 Ų32.211%0.11316%0.162CC..EExtended strand (participates in β ladder)trans-124.2119.6175.4-179-178.8-178.1-177.70110.9H196 N200 L203 L229 L317H196-K315 PolarHBondContact O-NZ 2.97Å; N200-K315 WeakPolarHBondContact OD1-CD 3.45Å; N200-K315 WeakPolarHBondContact OD1-CE 3.36Å; N200-K315 PolarHBondContact OD1-NZ 2.62Å; L203-K315 HydrophobicContact CD1-CB 4.09Å; L203-K315 HydrophobicContact CD1-CD 3.76Å; L203-K315 HydrophobicContact CD1-CG 3.77Å; L229-K315 HydrophobicContact CD2-CB 4.33Å; K315-L317 VanDerWaalsContact C-N 3.32Å
316H83.6Confident94.6Very high59 Ų5925.2 Ų25.227%0.27313%0.129SC..EExtended strand (participates in β ladder)trans57.345.2-177.9-58.2-60.1000112.5C318 A344 C346H316-C318 PolarHBondContact O-N 3.08Å; H316-C318 PolarHBondContact O-SG 3.38Å; H316-C318 VanDerWaalsContact O-SG 3.39Å; H316-A344 WeakPolarHBondContact CA-O 3.14Å; H316-A344 PolarHBondContact N-O 3.04Å; H316-C346 WeakPolarHBondContact CA-SG 3.41Å; H316-C346 PolarHBondContact O-SG 3.3Å
317L81.1Confident94.8Very high7 Ų726 Ų264%0.03713%0.131CC..EExtended strand (participates in β ladder)trans-76.6111.2175.5-167.761.7000109F222 I292 A314 K315 A321 T322 S325 F343 A344F222-L317 HydrophobicContact CB-CD1 4.45Å; F222-L317 HydrophobicContact CB-CD2 4.03Å; I292-L317 HydrophobicContact CD1-CD1 4.12Å; A314-L317 HydrophobicContact CB-CB 3.91Å; A314-L317 HydrophobicContact CB-CD2 3.78Å; A314-L317 HydrophobicContact CB-CG 4.42Å; K315-L317 VanDerWaalsContact C-N 3.32Å; L317-A321 HydrophobicContact CD1-CB 3.64Å; L317-A321 HydrophobicContact CG-CB 3.92Å; L317-T322 PolarHBondContact O-OG1 3.18Å; L317-S325 WeakPolarHBondContact CD2-OG 3.38Å; L317-F343 HydrophobicContact CD2-CE2 4.41Å; L317-A344 PolarHBondContact N-O 2.79Å
318C85.5Confident95Very high63 Ų6318 Ų1843%0.42610%0.096SC..EExtended strand (participates in β ladder)trans-83.6128.7-165.9-62.70000113.1H316 D320 A321 C347H316-C318 PolarHBondContact O-N 3.08Å; H316-C318 PolarHBondContact O-SG 3.38Å; H316-C318 VanDerWaalsContact O-SG 3.39Å; C318-D320 PolarHBondContact O-N 2.81Å; C318-A321 VanDerWaalsContact O-CB 3.24Å; C318-A321 WeakPolarHBondContact O-CB 3.21Å; C318-A321 PolarHBondContact O-N 2.82Å; C318-A321 VanDerWaalsContact O-N 3.08Å; C318-C347 HydrophobicContact CB-CB 3.88Å
319G88.1Confident95.1Very high0 Ų014.9 Ų14.90%09%0.085CC..THydrogen-bonded Turntrans54.4-130.6165.600000113A321 T322 C346 R445G319-A321 PolarHBondContact O-N 3.15Å; G319-T322 WeakPolarHBondContact O-CB 3.31Å; G319-T322 PolarHBondContact O-N 3.37Å; G319-C346 PolarHBondContact N-O 3.07Å; G319-C346 VanDerWaalsContact N-O 3.08Å; G319-R445 PolarHBondContact O-NH2 2.75Å
320D94.6Very high95.1Very high32 Ų3216.9 Ų16.917%0.1719%0.089CC..Hα-helixtrans-56.6-22.1179.9-69-12.6000113.8C318 T322 D323 L324 C351 T352 E355C318-D320 PolarHBondContact O-N 2.81Å; D320-T322 PolarHBondContact O-N 3.01Å; D320-D323 PolarHBondContact O-N 3.25Å; D320-D323 VanDerWaalsContact O-N 3.13Å; D320-L324 WeakPolarHBondContact O-CB 3.22Å; D320-L324 WeakPolarHBondContact O-CG 3.4Å; D320-L324 PolarHBondContact O-N 2.86Å; D320-C351 VanDerWaalsContact OD1-CA 3.26Å; D320-C351 WeakPolarHBondContact OD1-CA 3.35Å; D320-T352 PolarHBondContact OD1-N 3.1Å; D320-T352 PolarHBondContact OD1-OG1 2.97Å; D320-T352 VanDerWaalsContact OD2-CG2 3.29Å; D320-T352 WeakPolarHBondContact OD2-CG2 3.38Å; D320-T352 PolarHBondContact OD2-OG1 3.36Å; D320-E355 HydrophobicContact CB-CB 3.97Å; D320-E355 HydrophobicContact CB-CG 4.38Å
321A95.8Very high95Very high29 Ų2920.6 Ų20.624%0.2411%0.109CC..Hα-helixtrans-61.6-32.3176.700000112.2L317 C318 G319 S325L317-A321 HydrophobicContact CD1-CB 3.64Å; L317-A321 HydrophobicContact CG-CB 3.92Å; C318-A321 VanDerWaalsContact O-CB 3.24Å; C318-A321 WeakPolarHBondContact O-CB 3.21Å; C318-A321 PolarHBondContact O-N 2.82Å; C318-A321 VanDerWaalsContact O-N 3.08Å; G319-A321 PolarHBondContact O-N 3.15Å; A321-S325 WeakPolarHBondContact O-CB 3.42Å; A321-S325 PolarHBondContact O-N 2.75Å; A321-S325 PolarHBondContact O-OG 2.61Å
322T97.2Very high94.9Very high0 Ų020.3 Ų20.30%011%0.107CC..Hα-helixtrans-63.7-49.2173.7-64.20000110.3L317 G319 D320 S325 L326 F343 V345L317-T322 PolarHBondContact O-OG1 3.18Å; G319-T322 WeakPolarHBondContact O-CB 3.31Å; G319-T322 PolarHBondContact O-N 3.37Å; D320-T322 PolarHBondContact O-N 3.01Å; T322-S325 WeakPolarHBondContact O-CB 3.26Å; T322-S325 PolarHBondContact O-N 3.18Å; T322-S325 VanDerWaalsContact O-N 3.14Å; T322-L326 WeakPolarHBondContact O-CG 3.29Å; T322-L326 PolarHBondContact O-N 3.05Å; T322-F343 HydrophobicContact CG2-CD2 4.03Å; T322-V345 HydrophobicContact CG2-CG1 4.01Å
323D97.8Very high94.6Very high0 Ų022.2 Ų22.20%013%0.127CC..Hα-helixtrans-71.7-33.3-176.4-55.4-82.8000113D320 S325 R327 E355 A357 R445D320-D323 PolarHBondContact O-N 3.25Å; D320-D323 VanDerWaalsContact O-N 3.13Å; D323-S325 VanDerWaalsContact C-N 3.32Å; D323-R327 PolarHBondContact O-N 3.2Å; D323-R327 VanDerWaalsContact O-N 3.13Å; D323-R327 PolarHBondContact O-NE 3.2Å; D323-R327 VanDerWaalsContact O-NE 3.1Å; D323-E355 WeakPolarHBondContact CB-O 3.35Å; D323-A357 HydrophobicContact CB-CB 4.06Å; D323-A357 PolarHBondContact OD1-N 3.18Å; D323-R445 IonicContact OD1-CZ 3.58Å; D323-R445 IonicContact OD1-NE 3.91Å; D323-R445 PolarHBondContact OD1-NE 2.9Å; D323-R445 VanDerWaalsContact OD1-NE 3.1Å; D323-R445 IonicContact OD1-NH2 2.81Å; D323-R445 IonicContact OD2-CZ 2.69Å; D323-R445 IonicContact OD2-NE 3.59Å; D323-R445 PolarHBondContact OD2-NE 3.03Å; D323-R445 IonicContact OD2-NH2 3.48Å; D323-R445 PolarHBondContact OD2-NH2 3.49Å
324L97.7Very high94.2Very high18 Ų1830.4 Ų30.49%0.09417%0.171CC..Hα-helixtrans-63.2-38.8168.9-69.8168.4000111N77 I292 A293 D320 R327 C328N77-L324 HydrophobicContact CB-CD2 4.39Å; N77-L324 VanDerWaalsContact O-CD2 3.28Å; N77-L324 WeakPolarHBondContact O-CD2 3.28Å; I292-L324 HydrophobicContact CG2-CB 3.92Å; A293-L324 HydrophobicContact CB-CD1 4.13Å; A293-L324 HydrophobicContact CB-CD2 4.12Å; D320-L324 WeakPolarHBondContact O-CB 3.22Å; D320-L324 WeakPolarHBondContact O-CG 3.4Å; D320-L324 PolarHBondContact O-N 2.86Å; L324-R327 VanDerWaalsContact CD2-NH2 3.33Å; L324-R327 PolarHBondContact O-N 3.2Å; L324-C328 WeakPolarHBondContact O-CB 3.3Å; L324-C328 PolarHBondContact O-N 3.16Å
325S98.4Very high94Very high0 Ų033.2 Ų33.20%019%0.188CC..Hα-helixtrans-69-40.5178.3-58.10000112F222 L317 A321 T322 D323 R327 C328 L329F222-S325 WeakPolarHBondContact CD1-OG 3.38Å; F222-S325 WeakPolarHBondContact CG-OG 3.2Å; L317-S325 WeakPolarHBondContact CD2-OG 3.38Å; A321-S325 WeakPolarHBondContact O-CB 3.42Å; A321-S325 PolarHBondContact O-N 2.75Å; A321-S325 PolarHBondContact O-OG 2.61Å; T322-S325 WeakPolarHBondContact O-CB 3.26Å; T322-S325 PolarHBondContact O-N 3.18Å; T322-S325 VanDerWaalsContact O-N 3.14Å; D323-S325 VanDerWaalsContact C-N 3.32Å; S325-R327 VanDerWaalsContact C-N 3.34Å; S325-R327 PolarHBondContact O-N 3.27Å; S325-C328 WeakPolarHBondContact O-CB 3.49Å; S325-C328 PolarHBondContact O-N 3.48Å; S325-L329 WeakPolarHBondContact O-CG 3.43Å; S325-L329 PolarHBondContact O-N 3.37Å
326L98.2Very high94.1Very high0 Ų032.6 Ų32.60%019%0.186CC..Hα-helixtrans-61.8-41.6174.4-67178.6000111.9T322 L329 K330 I341 F343 A357 R445 Y448 I449 L453T322-L326 WeakPolarHBondContact O-CG 3.29Å; T322-L326 PolarHBondContact O-N 3.05Å; L326-L329 PolarHBondContact O-N 2.93Å; L326-K330 PolarHBondContact O-N 3.17Å; L326-I341 HydrophobicContact CD2-CD1 4.18Å; L326-F343 HydrophobicContact CD2-CD2 4.16Å; L326-F343 HydrophobicContact CD2-CE2 3.72Å; L326-F343 HydrophobicContact CG-CE2 4.15Å; L326-A357 HydrophobicContact CB-CB 4.22Å; L326-A357 HydrophobicContact CD1-CB 4Å; L326-R445 HydrophobicContact CD1-CB 3.94Å; L326-R445 HydrophobicContact CD1-CG 4.07Å; L326-Y448 HydrophobicContact CB-CD1 4.03Å; L326-Y448 HydrophobicContact CB-CE1 3.83Å; L326-Y448 HydrophobicContact CD1-CD1 4.38Å; L326-I449 HydrophobicContact CD1-CD1 4.34Å; L326-I449 HydrophobicContact CD1-CG1 4.23Å; L326-I449 HydrophobicContact CD2-CD1 3.87Å; L326-I449 HydrophobicContact CD2-CG1 3.66Å; L326-L453 HydrophobicContact CD2-CD1 4.1Å
327R97.6Very high94.7Very high28 Ų2832.3 Ų32.311%0.10619%0.186CC..Hα-helixtrans-68-38.9173.3-79.9174.9-70163.9-4.7113.1N77 D323 L324 S325 L329 K330 N331 E355 Y448N77-R327 PolarHBondContact O-NE 3.47Å; N77-R327 PolarHBondContact O-NH1 3.09Å; D323-R327 PolarHBondContact O-N 3.2Å; D323-R327 VanDerWaalsContact O-N 3.13Å; D323-R327 PolarHBondContact O-NE 3.2Å; D323-R327 VanDerWaalsContact O-NE 3.1Å; L324-R327 VanDerWaalsContact CD2-NH2 3.33Å; L324-R327 PolarHBondContact O-N 3.2Å; S325-R327 VanDerWaalsContact C-N 3.34Å; S325-R327 PolarHBondContact O-N 3.27Å; R327-L329 VanDerWaalsContact C-N 3.25Å; R327-L329 PolarHBondContact O-N 2.72Å; R327-K330 WeakPolarHBondContact O-CB 3.39Å; R327-K330 PolarHBondContact O-N 3.47Å; R327-K330 VanDerWaalsContact O-N 3.11Å; R327-N331 WeakPolarHBondContact O-CB 3.41Å; R327-N331 VanDerWaalsContact O-CG 3.29Å; R327-N331 PolarHBondContact O-N 3.36Å; R327-E355 IonicContact CZ-OE2 2.68Å; R327-E355 IonicContact NH1-OE2 2.72Å; R327-E355 PolarHBondContact NH1-OE2 2.85Å; R327-E355 PolarHBondContact NH2-O 3.12Å; R327-E355 IonicContact NH2-OE2 2.79Å; R327-E355 PolarHBondContact NH2-OE2 3.03Å; R327-Y448 VanDerWaalsContact CG-OH 3.28Å; R327-Y448 WeakPolarHBondContact CG-OH 3.27Å
328C98.3Very high95.5Very high1 Ų132.6 Ų32.61%0.00719%0.187CC..Hα-helixtrans-56.4-42.9173.4-172.80000111.1N77 F222 I292 L295 L297 L324 S325 A332N77-C328 HydrophobicContact CB-CB 4.46Å; N77-C328 WeakPolarHBondContact ND2-CB 3.25Å; N77-C328 PolarHBondContact ND2-SG 3.46Å; N77-C328 VanDerWaalsContact ND2-SG 3.44Å; N77-C328 VanDerWaalsContact OD1-CA 3.31Å; N77-C328 WeakPolarHBondContact OD1-CA 3.37Å; F222-C328 HydrophobicContact CE1-CB 4.24Å; F222-C328 HydrophobicContact CZ-CB 4.24Å; I292-C328 HydrophobicContact CG2-CB 4.35Å; L295-C328 PolarHBondContact O-SG 3.43Å; L297-C328 VanDerWaalsContact CD1-SG 3.56Å; L297-C328 VanDerWaalsContact CG-SG 3.54Å; L324-C328 WeakPolarHBondContact O-CB 3.3Å; L324-C328 PolarHBondContact O-N 3.16Å; S325-C328 WeakPolarHBondContact O-CB 3.49Å; S325-C328 PolarHBondContact O-N 3.48Å; C328-A332 PolarHBondContact O-N 2.04Å
329L98.5Very high96.1Very high0 Ų030.5 Ų30.50%017%0.174CC..Hα-helixtrans-64.4-47172.6-67.4171.3000111.8L220 F222 L297 L310 A312 S325 L326 R327 N331 A332 G333 M336 L338 I341 F343 L453L220-L329 HydrophobicContact CD2-CD2 4.07Å; F222-L329 HydrophobicContact CE2-CD1 4.27Å; F222-L329 HydrophobicContact CE2-CD2 3.96Å; F222-L329 HydrophobicContact CE2-CG 3.98Å; F222-L329 HydrophobicContact CZ-CD2 4.19Å; F222-L329 HydrophobicContact CZ-CG 4.19Å; L297-L329 HydrophobicContact CD1-CD2 4.11Å; L310-L329 HydrophobicContact CD2-CD2 4.34Å; A312-L329 HydrophobicContact CB-CD1 3.75Å; A312-L329 HydrophobicContact CB-CD2 3.99Å; A312-L329 HydrophobicContact CB-CG 4.5Å; S325-L329 WeakPolarHBondContact O-CG 3.43Å; S325-L329 PolarHBondContact O-N 3.37Å; L326-L329 PolarHBondContact O-N 2.93Å; R327-L329 VanDerWaalsContact C-N 3.25Å; R327-L329 PolarHBondContact O-N 2.72Å; L329-N331 VanDerWaalsContact C-N 3.32Å; L329-N331 PolarHBondContact O-N 3.48Å; L329-A332 PolarHBondContact O-N 3.17Å; L329-G333 PolarHBondContact O-N 3.27Å; L329-M336 HydrophobicContact CB-CE 3.98Å; L329-M336 HydrophobicContact CD2-CE 3.75Å; L329-M336 HydrophobicContact CD2-SD 4.27Å; L329-M336 HydrophobicContact CG-CE 4.5Å; L329-M336 WeakPolarHBondContact O-CE 3.47Å; L329-L338 HydrophobicContact CB-CD2 4.31Å; L329-L338 HydrophobicContact CD2-CD1 4.26Å; L329-I341 HydrophobicContact CD1-CD1 3.78Å; L329-I341 HydrophobicContact CD1-CG1 4.24Å; L329-F343 HydrophobicContact CD1-CZ 4.22Å; L329-L453 HydrophobicContact CB-CD1 4.27Å; L329-L453 HydrophobicContact CB-CD2 4.17Å; L329-L453 HydrophobicContact CD1-CD1 4.37Å
330K97.6Very high96.5Very high86 Ų8630.5 Ų30.537%0.37417%0.174SC..Hα-helixtrans-56.3-47.1178.6-176.3-179.3175173.40111.9L326 R327 A332 G333 Y448 E452 L453L326-K330 PolarHBondContact O-N 3.17Å; R327-K330 WeakPolarHBondContact O-CB 3.39Å; R327-K330 PolarHBondContact O-N 3.47Å; R327-K330 VanDerWaalsContact O-N 3.11Å; K330-A332 PolarHBondContact O-N 3.4Å; K330-A332 VanDerWaalsContact O-N 3.17Å; K330-G333 PolarHBondContact O-N 3.49Å; K330-Y448 WeakPolarHBondContact CB-OH 3.07Å; K330-Y448 HydrophobicContact CD-CE2 4.46Å; K330-Y448 WeakPolarHBondContact CD-OH 3.48Å; K330-E452 HydrophobicContact CD-CB 4.14Å; K330-E452 VanDerWaalsContact CE-OE2 3.3Å; K330-E452 WeakPolarHBondContact CE-OE2 3.5Å; K330-E452 IonicContact NZ-OE2 3.15Å; K330-E452 PolarHBondContact NZ-OE2 3.11Å; K330-L453 VanDerWaalsContact CA-CD2 3.42Å; K330-L453 HydrophobicContact CB-CD2 3.61Å; K330-L453 HydrophobicContact CG-CD2 4.35Å
331N97.1Very high96.7Very high78 Ų7829 Ų2942%0.41717%0.166SC..Hα-helixtrans-61.8-24.9-177-74.4-14000113.1I76 N77 R327 L329I76-N331 PolarHBondContact O-ND2 3.33Å; I76-N331 VanDerWaalsContact O-ND2 3.11Å; N77-N331 PolarHBondContact OD1-ND2 2.65Å; R327-N331 WeakPolarHBondContact O-CB 3.41Å; R327-N331 VanDerWaalsContact O-CG 3.29Å; R327-N331 PolarHBondContact O-N 3.36Å; L329-N331 VanDerWaalsContact C-N 3.32Å; L329-N331 PolarHBondContact O-N 3.48Å
332A96.7Very high96.9Very high0 Ų027.6 Ų27.60%015%0.154CC..THydrogen-bonded Turntrans-101.14.817700000114.6L297 A298 C328 L329 K330 N334 V335 M336L297-A332 HydrophobicContact CB-CB 3.5Å; A298-A332 HydrophobicContact CB-CB 4.25Å; C328-A332 PolarHBondContact O-N 2.04Å; L329-A332 PolarHBondContact O-N 3.17Å; K330-A332 PolarHBondContact O-N 3.4Å; K330-A332 VanDerWaalsContact O-N 3.17Å; A332-N334 PolarHBondContact O-N 2.97Å; A332-V335 PolarHBondContact O-N 3.35Å; A332-M336 HydrophobicContact CB-CE 4.03Å; A332-M336 HydrophobicContact CB-SD 4.13Å; A332-M336 WeakPolarHBondContact O-CG 3.42Å; A332-M336 PolarHBondContact O-N 3.17Å
333G91.8Very high96.9Very high40 Ų4027.6 Ų27.641%0.41215%0.154SC..THydrogen-bonded Turntrans-55-28.9-171.600000115.3L329 K330L329-G333 PolarHBondContact O-N 3.27Å; K330-G333 PolarHBondContact O-N 3.49Å
334N90.3Very high96.9Very high171 Ų17127.7 Ų27.791%0.91416%0.155SC*.THydrogen-bonded Turntrans-81.3-11.8178.5-65.7-25000114.2A332A332-N334 PolarHBondContact O-N 2.97Å
335V94.7Very high96.8Very high59 Ų5926.9 Ų26.936%0.35815%0.151SC..THydrogen-bonded Turntrans-107.7-25.1-175.3-178.10000111.9A298 I303 Q304 A332A298-V335 HydrophobicContact CB-CB 4.3Å; A298-V335 HydrophobicContact CB-CG2 3.82Å; I303-V335 HydrophobicContact CG2-CG1 4.29Å; Q304-V335 HydrophobicContact CG-CG1 4.11Å; A332-V335 PolarHBondContact O-N 3.35Å
336M94.9Very high96.6Very high14 Ų1427.1 Ų27.17%0.06915%0.152CC..SBendtrans-118.6150.3-175.570.5-178.8174.100113I303 L310 L329 A332 L338I303-M336 HydrophobicContact CG2-CB 3.87Å; L310-M336 HydrophobicContact CD1-CB 4.45Å; L310-M336 HydrophobicContact CD1-SD 3.92Å; L310-M336 HydrophobicContact CD2-SD 4.3Å; L329-M336 HydrophobicContact CB-CE 3.98Å; L329-M336 HydrophobicContact CD2-CE 3.75Å; L329-M336 HydrophobicContact CD2-SD 4.27Å; L329-M336 HydrophobicContact CG-CE 4.5Å; L329-M336 WeakPolarHBondContact O-CE 3.47Å; A332-M336 HydrophobicContact CB-CE 4.03Å; A332-M336 HydrophobicContact CB-SD 4.13Å; A332-M336 WeakPolarHBondContact O-CG 3.42Å; A332-M336 PolarHBondContact O-N 3.17Å; M336-L338 HydrophobicContact CE-CB 4.13Å; M336-L338 HydrophobicContact CE-CD2 4.35Å; M336-L338 HydrophobicContact CG-CB 4.48Å; M336-L338 PolarHBondContact O-N 2.98Å
337N95.9Very high96.3Very high53 Ų5329.2 Ų29.228%0.28317%0.166SC..  trans-87.869.6172.6-17515.2000111.4L310 S339 R479L310-N337 PolarHBondContact N-O 3.27Å; N337-S339 PolarHBondContact O-N 3.27Å; N337-S339 PolarHBondContact O-OG 3.47Å; N337-S339 PolarHBondContact OD1-OG 3.12Å; N337-R479 VanDerWaalsContact OD1-CZ 3.31Å; N337-R479 PolarHBondContact OD1-NH2 3.49Å
338L97.9Very high96.1Very high12 Ų1228 Ų286%0.06316%0.162CC..EExtended strand (participates in β ladder)trans-61.7121.3175.6-178.663.9000109.8L310 A312 L329 M336 I341 L453 L455 R479L310-L338 HydrophobicContact CD2-CD1 3.65Å; A312-L338 HydrophobicContact CB-CD1 4.42Å; L329-L338 HydrophobicContact CB-CD2 4.31Å; L329-L338 HydrophobicContact CD2-CD1 4.26Å; M336-L338 HydrophobicContact CE-CB 4.13Å; M336-L338 HydrophobicContact CE-CD2 4.35Å; M336-L338 HydrophobicContact CG-CB 4.48Å; M336-L338 PolarHBondContact O-N 2.98Å; L338-I341 HydrophobicContact CD1-CG1 4.28Å; L338-I341 HydrophobicContact CD2-CD1 4.4Å; L338-L453 HydrophobicContact CD2-CB 4.13Å; L338-L453 HydrophobicContact CD2-CD1 4.27Å; L338-L453 HydrophobicContact CD2-CD2 4.43Å; L338-L455 HydrophobicContact CD2-CD1 4.12Å; L338-L455 HydrophobicContact CG-CD1 4.15Å; L338-R479 PolarHBondContact O-NE 3.21Å; L338-R479 PolarHBondContact O-NH2 3.09Å
339S98Very high95.8Very high20 Ų2030.4 Ų30.414%0.1418%0.179CC..EExtended strand (participates in β ladder)trans-123.4-19.9-174.2-62.50000113.4P309 L310 N337 S478 R479P309-S339 WeakPolarHBondContact CB-OG 3.41Å; L310-S339 PolarHBondContact O-N 3.47Å; N337-S339 PolarHBondContact O-N 3.27Å; N337-S339 PolarHBondContact O-OG 3.47Å; N337-S339 PolarHBondContact OD1-OG 3.12Å; S339-S478 WeakPolarHBondContact O-CA 3.42Å; S339-R479 PolarHBondContact O-N 3.4Å
340G98.5Very high95.5Very high0 Ų037.3 Ų37.30%021%0.209CC..EExtended strand (participates in β ladder)trans-168164.7171.800000114.8L310 I311 A312 A477L310-G340 PolarHBondContact O-N 3.17Å; I311-G340 WeakPolarHBondContact CA-O 3.15Å; A312-G340 PolarHBondContact N-O 3.21Å; G340-A477 CarbonylContact C-O 3.12Å; G340-A477 WeakPolarHBondContact CA-O 3.16Å
341I98.7Very high95.3Very high0 Ų033.5 Ų33.50%019%0.193CC..EExtended strand (participates in β ladder)trans-136136.5-179.5-60.6179.1000108.6A312 L326 L329 L338 F343 I449 L453 L455 C476 A477A312-I341 HydrophobicContact CB-CG1 4.25Å; A312-I341 CarbonylContact O-C 3.57Å; A312-I341 VanDerWaalsContact O-CA 3.26Å; A312-I341 WeakPolarHBondContact O-CA 3.35Å; L326-I341 HydrophobicContact CD2-CD1 4.18Å; L329-I341 HydrophobicContact CD1-CD1 3.78Å; L329-I341 HydrophobicContact CD1-CG1 4.24Å; L338-I341 HydrophobicContact CD1-CG1 4.28Å; L338-I341 HydrophobicContact CD2-CD1 4.4Å; I341-F343 HydrophobicContact CG2-CD1 3.69Å; I341-F343 HydrophobicContact CG2-CD2 4.18Å; I341-F343 HydrophobicContact CG2-CE1 3.87Å; I341-F343 HydrophobicContact CG2-CE2 4.37Å; I341-F343 HydrophobicContact CG2-CG 3.86Å; I341-F343 HydrophobicContact CG2-CZ 4.22Å; I341-I449 HydrophobicContact CD1-CG1 4.22Å; I341-I449 HydrophobicContact CD1-CG2 4.09Å; I341-L453 HydrophobicContact CD1-CD1 3.55Å; I341-L455 HydrophobicContact CB-CD1 4.47Å; I341-L455 HydrophobicContact CD1-CD1 3.7Å; I341-L455 HydrophobicContact CG1-CD1 3.65Å; I341-C476 CarbonylContact O-C 3.3Å; I341-C476 VanDerWaalsContact O-CA 3.25Å; I341-C476 WeakPolarHBondContact O-CA 3.4Å; I341-A477 HydrophobicContact CB-CB 4.46Å; I341-A477 PolarHBondContact N-O 2.83Å; I341-A477 PolarHBondContact O-N 3.38Å
342M98.5Very high95.2Very high0 Ų032.6 Ų32.60%019%0.19CC..EExtended strand (participates in β ladder)trans-134.5103.4164.6-176.3-127.373.100109.1L203 V206 L207 L212 L229 A312 V313 A314 V474L203-M342 HydrophobicContact CB-CE 4.45Å; L203-M342 HydrophobicContact CB-SD 4.08Å; L203-M342 HydrophobicContact CD1-CE 4.38Å; L203-M342 HydrophobicContact CD2-CE 3.98Å; L203-M342 HydrophobicContact CD2-SD 3.99Å; L203-M342 HydrophobicContact CG-CE 4.49Å; V206-M342 HydrophobicContact CG1-CG 4.43Å; L207-M342 HydrophobicContact CD1-SD 4.33Å; L207-M342 HydrophobicContact CD2-CB 3.58Å; L207-M342 HydrophobicContact CD2-CG 4Å; L207-M342 HydrophobicContact CD2-SD 3.99Å; L207-M342 HydrophobicContact CG-CB 4.46Å; L207-M342 HydrophobicContact CG-CG 4.38Å; L207-M342 HydrophobicContact CG-SD 3.83Å; L212-M342 HydrophobicContact CD1-CB 4.33Å; L229-M342 HydrophobicContact CD2-CE 3.79Å; A312-M342 PolarHBondContact O-N 3.32Å; V313-M342 CarbonylContact C-O 3.54Å; V313-M342 VanDerWaalsContact CA-O 3.25Å; V313-M342 WeakPolarHBondContact CA-O 3.14Å; V313-M342 HydrophobicContact CB-CE 4.5Å; V313-M342 HydrophobicContact CG1-CB 4.38Å; A314-M342 PolarHBondContact N-O 3.4Å; A314-M342 WeakPolarHBondContact O-CE 3.35Å; M342-V474 HydrophobicContact CB-CG1 4.49Å; M342-V474 HydrophobicContact CG-CG1 3.41Å; M342-V474 VanDerWaalsContact CG-CG1 3.41Å; M342-V474 HydrophobicContact SD-CG1 4.31Å
343F98.5Very high95.1Very high0 Ų033.3 Ų33.30%019%0.193CC..EExtended strand (participates in β ladder)trans-114.9113.8179-75.71.8000110.8F222 A312 A314 L317 T322 L326 L329 I341 V345 V474 I475F222-F343 HydrophobicContact CD2-CE1 4.05Å; F222-F343 AromaticContact CD2-CZ 3.73Å; F222-F343 HydrophobicContact CD2-CZ 3.73Å; F222-F343 HydrophobicContact CE2-CZ 4.13Å; A312-F343 HydrophobicContact CB-CE1 4.03Å; A312-F343 HydrophobicContact CB-CZ 4.41Å; A314-F343 HydrophobicContact CB-CB 4.41Å; A314-F343 HydrophobicContact CB-CD1 3.48Å; A314-F343 VanDerWaalsContact CB-CD1 3.48Å; A314-F343 HydrophobicContact CB-CE1 3.84Å; A314-F343 HydrophobicContact CB-CG 3.94Å; L317-F343 HydrophobicContact CD2-CE2 4.41Å; T322-F343 HydrophobicContact CG2-CD2 4.03Å; L326-F343 HydrophobicContact CD2-CD2 4.16Å; L326-F343 HydrophobicContact CD2-CE2 3.72Å; L326-F343 HydrophobicContact CG-CE2 4.15Å; L329-F343 HydrophobicContact CD1-CZ 4.22Å; I341-F343 HydrophobicContact CG2-CD1 3.69Å; I341-F343 HydrophobicContact CG2-CD2 4.18Å; I341-F343 HydrophobicContact CG2-CE1 3.87Å; I341-F343 HydrophobicContact CG2-CE2 4.37Å; I341-F343 HydrophobicContact CG2-CG 3.86Å; I341-F343 HydrophobicContact CG2-CZ 4.22Å; F343-V345 HydrophobicContact CB-CG1 4.33Å; F343-V345 PolarHBondContact O-N 2.96Å; F343-V345 VanDerWaalsContact O-N 3.15Å; F343-V474 CarbonylContact O-C 3.57Å; F343-V474 VanDerWaalsContact O-CA 3.3Å; F343-V474 WeakPolarHBondContact O-CA 3.49Å; F343-I475 HydrophobicContact CB-CD1 4.29Å; F343-I475 HydrophobicContact CB-CG1 3.8Å; F343-I475 PolarHBondContact N-O 2.97Å; F343-I475 PolarHBondContact O-N 3.15Å
344A97.2Very high95.1Very high1 Ų133.8 Ų33.81%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-77.397.1166.800000109.2L203 A314 H316 L317 Y463 V474L203-A344 HydrophobicContact CD1-CB 4.38Å; L203-A344 HydrophobicContact CD2-CB 3.89Å; A314-A344 PolarHBondContact O-N 3.34Å; H316-A344 WeakPolarHBondContact CA-O 3.14Å; H316-A344 PolarHBondContact N-O 3.04Å; L317-A344 PolarHBondContact N-O 2.79Å; A344-Y463 HydrophobicContact CB-CE1 4.42Å; A344-V474 HydrophobicContact CB-CG2 3.74Å
345V95.4Very high95.3Very high2 Ų226.2 Ų26.21%0.01215%0.145CC..EExtended strand (participates in β ladder)trans-79.3144.4-173-68.40000111.8T322 F343 I473 I475T322-V345 HydrophobicContact CG2-CG1 4.01Å; F343-V345 HydrophobicContact CB-CG1 4.33Å; F343-V345 PolarHBondContact O-N 2.96Å; F343-V345 VanDerWaalsContact O-N 3.15Å; V345-I473 PolarHBondContact N-O 3.11Å; V345-I475 HydrophobicContact CG1-CD1 3.9Å; V345-I475 HydrophobicContact CG1-CG1 3.99Å
346C93.5Very high95.4Very high5 Ų523.7 Ų23.73%0.03413%0.13CC..EExtended strand (participates in β ladder)trans-155.1173.5173.769.80000112.8H316 G319 H348 E471H316-C346 WeakPolarHBondContact CA-SG 3.41Å; H316-C346 PolarHBondContact O-SG 3.3Å; G319-C346 PolarHBondContact N-O 3.07Å; G319-C346 VanDerWaalsContact N-O 3.08Å; C346-H348 PolarHBondContact O-N 2.81Å; C346-E471 HydrophobicContact CB-CB 4Å; C346-E471 HydrophobicContact CB-CG 3.89Å
347C91.8Very high95.5Very high44 Ų4423.5 Ų23.530%0.29713%0.131SC..  trans57.944.1174.8-57.10000113.6C318 S349 K350C318-C347 HydrophobicContact CB-CB 3.88Å; C347-S349 PolarHBondContact O-N 3.43Å; C347-S349 VanDerWaalsContact O-N 3.09Å; C347-K350 HydrophobicContact CB-CG 4.15Å; C347-K350 WeakPolarHBondContact O-CB 3.37Å; C347-K350 PolarHBondContact O-N 2.99Å
348H94.8Very high95.5Very high1 Ų121.1 Ų21.11%0.00512%0.118CC..G310 helixtrans-54-28.3177.2-6174.4000113.7C346 K350 C351 S377 S380 K438 I441 D442C346-H348 PolarHBondContact O-N 2.81Å; H348-K350 PolarHBondContact O-N 3.12Å; H348-K350 VanDerWaalsContact O-N 3.08Å; H348-C351 VanDerWaalsContact O-CB 3.28Å; H348-C351 WeakPolarHBondContact O-CB 3.48Å; H348-C351 PolarHBondContact O-N 2.85Å; H348-C351 PolarHBondContact O-SG 3.23Å; H348-C351 VanDerWaalsContact O-SG 3.37Å; H348-S377 PolarHBondContact O-OG 3.35Å; H348-S380 WeakPolarHBondContact CB-OG 3.42Å; H348-K438 HydrophobicContact CB-CG 4.09Å; H348-I441 HydrophobicContact CB-CD1 3.96Å; H348-D442 IonicContact CD2-OD1 2.68Å; H348-D442 IonicContact CD2-OD2 3.64Å; H348-D442 IonicContact CE1-OD1 2.73Å; H348-D442 IonicContact CE1-OD2 3.49Å; H348-D442 IonicContact NE2-OD1 3.73Å; H348-D442 PolarHBondContact NE2-OD1 2.93Å; H348-D442 IonicContact NE2-OD2 3.74Å; H348-D442 PolarHBondContact NE2-OD2 3.15Å
349S91.8Very high95.4Very high53 Ų5325.2 Ų25.237%0.37113%0.133SC..G310 helixtrans-67-3.5173.364.70000115.4C347 S377 S380C347-S349 PolarHBondContact O-N 3.43Å; C347-S349 VanDerWaalsContact O-N 3.09Å; S349-S377 WeakPolarHBondContact CA-O 3.28Å; S349-S377 WeakPolarHBondContact CA-OG 3.39Å; S349-S377 WeakPolarHBondContact CB-O 3.26Å; S349-S380 PolarHBondContact N-OG 3.01Å
350K91.6Very high95.3Very high145 Ų14531 Ų3163%0.6316%0.156SC*.G310 helixtrans-102.4-2.6171.6-58.5-58.4-177.1-172.20112.8C347 H348C347-K350 HydrophobicContact CB-CG 4.15Å; C347-K350 WeakPolarHBondContact O-CB 3.37Å; C347-K350 PolarHBondContact O-N 2.99Å; H348-K350 PolarHBondContact O-N 3.12Å; H348-K350 VanDerWaalsContact O-N 3.08Å
351C94.4Very high95.3Very high6 Ų632.6 Ų32.64%0.04116%0.162CC..  trans-70.9140.2176.7-62.80000111D320 H348 F373 S377 R445D320-C351 VanDerWaalsContact OD1-CA 3.26Å; D320-C351 WeakPolarHBondContact OD1-CA 3.35Å; H348-C351 VanDerWaalsContact O-CB 3.28Å; H348-C351 WeakPolarHBondContact O-CB 3.48Å; H348-C351 PolarHBondContact O-N 2.85Å; H348-C351 PolarHBondContact O-SG 3.23Å; H348-C351 VanDerWaalsContact O-SG 3.37Å; C351-F373 HydrophobicContact CB-CE1 4.12Å; C351-F373 HydrophobicContact CB-CZ 4.01Å; C351-S377 PolarHBondContact O-OG 3.08Å; C351-S377 VanDerWaalsContact O-OG 3.09Å; C351-R445 PolarHBondContact SG-NH2 3.15Å
352T94Very high95.3Very high58 Ų5832.7 Ų32.736%0.35616%0.162SC..  trans-116.7149.9176.367.90000111.7D320 N354 E355 T356D320-T352 PolarHBondContact OD1-N 3.1Å; D320-T352 PolarHBondContact OD1-OG1 2.97Å; D320-T352 VanDerWaalsContact OD2-CG2 3.29Å; D320-T352 WeakPolarHBondContact OD2-CG2 3.38Å; D320-T352 PolarHBondContact OD2-OG1 3.36Å; T352-N354 VanDerWaalsContact C-N 3.27Å; T352-N354 PolarHBondContact O-N 3.28Å; T352-E355 PolarHBondContact O-N 2.86Å; T352-E355 WeakPolarHBondContact OG1-CB 3.37Å; T352-E355 WeakPolarHBondContact OG1-CG 3.48Å; T352-T356 WeakPolarHBondContact O-CB 3.35Å; T352-T356 PolarHBondContact O-N 2.94Å
353W94.5Very high95.2Very high16 Ų1636 Ų366%0.06118%0.178CC..THydrogen-bonded Turntrans-60.6-34.9-177.6179.5-108.8000113.6T356 R359 L362 E363 I368 S370 F373W353-T356 HydrophobicContact CE3-CG2 4.28Å; W353-T356 WeakPolarHBondContact O-CG2 3.42Å; W353-R359 HydrophobicContact CD2-CG 4.41Å; W353-R359 HydrophobicContact CH2-CG 4.01Å; W353-R359 HydrophobicContact CZ2-CG 3.74Å; W353-R359 HydrophobicContact CZ3-CG 4.41Å; W353-L362 HydrophobicContact CH2-CB 4.33Å; W353-L362 HydrophobicContact CZ3-CB 4.15Å; W353-L362 HydrophobicContact CZ3-CD1 4.46Å; W353-E363 HydrophobicContact CH2-CB 4.03Å; W353-E363 HydrophobicContact CZ2-CB 4.17Å; W353-E363 HydrophobicContact CZ2-CG 4.32Å; W353-I368 VanDerWaalsContact CH2-O 3.29Å; W353-I368 WeakPolarHBondContact CH2-O 3.39Å; W353-I368 HydrophobicContact CZ3-CG2 4.42Å; W353-S370 WeakPolarHBondContact CB-OG 3.49Å; W353-F373 HydrophobicContact CB-CD1 4.12Å; W353-F373 HydrophobicContact CD2-CB 4.3Å; W353-F373 HydrophobicContact CE3-CB 3.34Å; W353-F373 AromaticContact CE3-CD1 3.88Å; W353-F373 HydrophobicContact CE3-CD1 3.88Å; W353-F373 AromaticContact CE3-CD2 3.87Å; W353-F373 HydrophobicContact CE3-CD2 3.87Å; W353-F373 AromaticContact CE3-CG 3.42Å; W353-F373 HydrophobicContact CE3-CG 3.42Å; W353-F373 VanDerWaalsContact CE3-CG 3.42Å; W353-F373 HydrophobicContact CZ3-CB 3.71Å; W353-F373 AromaticContact CZ3-CD2 3.98Å; W353-F373 HydrophobicContact CZ3-CD2 3.98Å; W353-F373 AromaticContact CZ3-CG 3.92Å; W353-F373 HydrophobicContact CZ3-CG 3.92Å
354N92.7Very high95.1Very high50 Ų5041.2 Ų41.227%0.26720%0.2SC..THydrogen-bonded Turntrans-74.8-37.2-178.6-69.2-10.7000111.4A79 N80 T352A79-N354 WeakPolarHBondContact CB-O 3.44Å; N80-N354 WeakPolarHBondContact OD1-CB 3.31Å; N80-N354 PolarHBondContact OD1-ND2 3.01Å; T352-N354 VanDerWaalsContact C-N 3.27Å; T352-N354 PolarHBondContact O-N 3.28Å
355E94.9Very high95.1Very high12 Ų1246.7 Ų46.76%0.05623%0.226CC..THydrogen-bonded Turntrans-89.7-17.1-174.2-60.5-68.2-168.800113.6S78 A79 N80 D320 D323 R327 T352 A357S78-E355 PolarHBondContact OG-OE1 2.59Å; A79-E355 PolarHBondContact N-OE2 2.91Å; N80-E355 VanDerWaalsContact ND2-CD 3.33Å; N80-E355 PolarHBondContact ND2-OE1 3.2Å; D320-E355 HydrophobicContact CB-CB 3.97Å; D320-E355 HydrophobicContact CB-CG 4.38Å; D323-E355 WeakPolarHBondContact CB-O 3.35Å; R327-E355 IonicContact CZ-OE2 2.68Å; R327-E355 IonicContact NH1-OE2 2.72Å; R327-E355 PolarHBondContact NH1-OE2 2.85Å; R327-E355 PolarHBondContact NH2-O 3.12Å; R327-E355 IonicContact NH2-OE2 2.79Å; R327-E355 PolarHBondContact NH2-OE2 3.03Å; T352-E355 PolarHBondContact O-N 2.86Å; T352-E355 WeakPolarHBondContact OG1-CB 3.37Å; T352-E355 WeakPolarHBondContact OG1-CG 3.48Å; E355-A357 PolarHBondContact O-N 3.26Å
356T96.1Very high95.2Very high5 Ų546.7 Ų46.73%0.03123%0.226CC..  trans-60123.6-178.7-1700000112.1T352 W353 G358 R359 L362 F373T352-T356 WeakPolarHBondContact O-CB 3.35Å; T352-T356 PolarHBondContact O-N 2.94Å; W353-T356 HydrophobicContact CE3-CG2 4.28Å; W353-T356 WeakPolarHBondContact O-CG2 3.42Å; T356-G358 VanDerWaalsContact C-N 3.32Å; T356-G358 PolarHBondContact O-N 3.47Å; T356-R359 HydrophobicContact CG2-CB 3.75Å; T356-R359 HydrophobicContact CG2-CG 4.45Å; T356-R359 WeakPolarHBondContact O-CB 3.38Å; T356-R359 PolarHBondContact O-N 3.19Å; T356-L362 HydrophobicContact CG2-CD1 4.19Å; T356-F373 HydrophobicContact CG2-CE1 4.37Å; T356-F373 HydrophobicContact CG2-CE2 4.22Å; T356-F373 HydrophobicContact CG2-CZ 3.97Å
357A96.6Very high95.4Very high11 Ų1153.9 Ų53.99%0.09126%0.257CS..THydrogen-bonded Turntrans-68-36.6-175.500000111.1D323 L326 E355 R359 Y448D323-A357 HydrophobicContact CB-CB 4.06Å; D323-A357 PolarHBondContact OD1-N 3.18Å; L326-A357 HydrophobicContact CB-CB 4.22Å; L326-A357 HydrophobicContact CD1-CB 4Å; E355-A357 PolarHBondContact O-N 3.26Å; A357-R359 PolarHBondContact O-N 2.77Å; A357-R359 VanDerWaalsContact O-N 3.09Å; A357-Y448 HydrophobicContact CB-CD1 3.97Å; A357-Y448 HydrophobicContact CB-CD2 3.94Å; A357-Y448 HydrophobicContact CB-CE1 4.26Å; A357-Y448 HydrophobicContact CB-CE2 4.21Å; A357-Y448 HydrophobicContact CB-CG 3.78Å; A357-Y448 WeakPolarHBondContact O-CD2 3.38Å
358G96.2Very high95.7Very high2 Ų252 Ų522%0.02124%0.244CC..THydrogen-bonded Turntrans-74.310.2178.600000115.7T356 F360 W361 L362 G444T356-G358 VanDerWaalsContact C-N 3.32Å; T356-G358 PolarHBondContact O-N 3.47Å; G358-F360 VanDerWaalsContact C-N 3.33Å; G358-F360 PolarHBondContact O-N 3.42Å; G358-W361 PolarHBondContact O-N 3.37Å; G358-L362 WeakPolarHBondContact O-CG 3.48Å; G358-L362 PolarHBondContact O-N 2.86Å; G358-G444 VanDerWaalsContact CA-C 3.41Å; G358-G444 WeakPolarHBondContact CA-O 3.36Å
359R96.1Very high95.7Very high98 Ų9855.4 Ų55.437%0.3726%0.264SS..Hα-helixtrans-53.3-46.3-172.4-178.1-179.7164.4176.6-1.7113.1W353 T356 A357 W361 L362 E363W353-R359 HydrophobicContact CD2-CG 4.41Å; W353-R359 HydrophobicContact CH2-CG 4.01Å; W353-R359 HydrophobicContact CZ2-CG 3.74Å; W353-R359 HydrophobicContact CZ3-CG 4.41Å; T356-R359 HydrophobicContact CG2-CB 3.75Å; T356-R359 HydrophobicContact CG2-CG 4.45Å; T356-R359 WeakPolarHBondContact O-CB 3.38Å; T356-R359 PolarHBondContact O-N 3.19Å; A357-R359 PolarHBondContact O-N 2.77Å; A357-R359 VanDerWaalsContact O-N 3.09Å; R359-W361 VanDerWaalsContact C-N 3.33Å; R359-W361 PolarHBondContact O-N 2.94Å; R359-L362 PolarHBondContact O-N 3.11Å; R359-E363 IonicContact NE-OE2 2.72Å; R359-E363 IonicContact NH2-OE2 3.53Å; R359-E363 WeakPolarHBondContact O-CB 3.5Å; R359-E363 PolarHBondContact O-N 2.67Å
360F95.9Very high95.8Very high143 Ų14354.3 Ų54.363%0.62726%0.257SS*.Hα-helixtrans-57.4-48.3-177.7-179.7-91.8000111.2G358 E363 K364G358-F360 VanDerWaalsContact C-N 3.33Å; G358-F360 PolarHBondContact O-N 3.42Å; F360-E363 PolarHBondContact O-N 3.09Å; F360-K364 HydrophobicContact CD2-CG 4.29Å; F360-K364 HydrophobicContact CE1-CG 4.34Å; F360-K364 HydrophobicContact CE2-CG 4.03Å; F360-K364 HydrophobicContact CZ-CG 4.06Å; F360-K364 WeakPolarHBondContact O-CB 3.33Å; F360-K364 WeakPolarHBondContact O-CG 3.47Å; F360-K364 PolarHBondContact O-N 3.1Å
361W98Very high95.8Very high33 Ų3351.3 Ų51.313%0.12525%0.248CC..Hα-helixtrans-65.9-44.2177.6-178.388.3000112.1L114 G358 R359 E363 K364 E365 A366 L440 W443 M447L114-W361 HydrophobicContact CD1-CH2 3.42Å; L114-W361 VanDerWaalsContact CD1-CH2 3.42Å; L114-W361 HydrophobicContact CD1-CZ2 3.64Å; L114-W361 HydrophobicContact CD2-CZ2 4.31Å; G358-W361 PolarHBondContact O-N 3.37Å; R359-W361 VanDerWaalsContact C-N 3.33Å; R359-W361 PolarHBondContact O-N 2.94Å; W361-E363 VanDerWaalsContact C-N 3.3Å; W361-E363 PolarHBondContact O-N 3.13Å; W361-K364 PolarHBondContact O-N 3.44Å; W361-E365 VanDerWaalsContact CD1-CG 3.41Å; W361-E365 HydrophobicContact CD2-CB 4.24Å; W361-E365 HydrophobicContact CG-CB 4.18Å; W361-E365 HydrophobicContact CG-CG 4.1Å; W361-E365 HydrophobicContact CZ2-CB 4.26Å; W361-E365 WeakPolarHBondContact O-CA 3.42Å; W361-E365 WeakPolarHBondContact O-CB 3.25Å; W361-E365 PolarHBondContact O-N 2.99Å; W361-A366 HydrophobicContact CE3-CB 4.33Å; W361-A366 HydrophobicContact CH2-CB 3.69Å; W361-A366 HydrophobicContact CZ2-CB 4.45Å; W361-A366 HydrophobicContact CZ3-CB 3.65Å; W361-A366 PolarHBondContact O-N 3.1Å; W361-A366 VanDerWaalsContact O-N 3.14Å; W361-L440 HydrophobicContact CH2-CD1 4.14Å; W361-L440 HydrophobicContact CZ3-CD1 3.97Å; W361-W443 AromaticContact CE2-CD1 3.69Å; W361-W443 AromaticContact CE2-NE1 3.7Å; W361-W443 AromaticContact CH2-CD1 3.24Å; W361-W443 HydrophobicContact CH2-CG 4.36Å; W361-W443 AromaticContact CH2-NE1 3.79Å; W361-W443 AromaticContact CZ2-CD1 3.26Å; W361-W443 AromaticContact CZ2-NE1 3.32Å; W361-W443 VanDerWaalsContact CZ2-NE1 3.32Å; W361-W443 AromaticContact CZ3-CD1 3.62Å; W361-M447 HydrophobicContact CB-CB 4.02Å; W361-M447 HydrophobicContact CB-CG 4.45Å; W361-M447 HydrophobicContact CD2-CB 4.43Å; W361-M447 HydrophobicContact CD2-CG 3.93Å; W361-M447 HydrophobicContact CG-CB 3.79Å; W361-M447 HydrophobicContact CG-CG 3.69Å
362L98.1Very high95.9Very high1 Ų153.5 Ų53.51%0.00526%0.258CS..Hα-helixtrans-59.4-41.4178.2-70.2163.8000111.7W353 T356 G358 R359 A366 K367 I368 F373 L440W353-L362 HydrophobicContact CH2-CB 4.33Å; W353-L362 HydrophobicContact CZ3-CB 4.15Å; W353-L362 HydrophobicContact CZ3-CD1 4.46Å; T356-L362 HydrophobicContact CG2-CD1 4.19Å; G358-L362 WeakPolarHBondContact O-CG 3.48Å; G358-L362 PolarHBondContact O-N 2.86Å; R359-L362 PolarHBondContact O-N 3.11Å; L362-A366 CarbonylContact O-C 3.54Å; L362-A366 WeakPolarHBondContact O-CB 3.32Å; L362-K367 PolarHBondContact O-N 3.08Å; L362-K367 VanDerWaalsContact O-N 3.1Å; L362-I368 HydrophobicContact CD2-CD1 3.67Å; L362-I368 WeakPolarHBondContact O-CB 3.48Å; L362-I368 PolarHBondContact O-N 3.35Å; L362-F373 HydrophobicContact CD1-CD2 3.87Å; L362-F373 HydrophobicContact CD1-CE2 3.57Å; L362-L440 HydrophobicContact CD2-CD1 4.36Å; L362-L440 HydrophobicContact CD2-CG 4.28Å
363E97.1Very high96Very high71 Ų7150.8 Ų50.833%0.33224%0.241SC..Hα-helixtrans-75-45.4-178.8-167.4-172.3126.800112.2W353 R359 F360 W361 K367W353-E363 HydrophobicContact CH2-CB 4.03Å; W353-E363 HydrophobicContact CZ2-CB 4.17Å; W353-E363 HydrophobicContact CZ2-CG 4.32Å; R359-E363 IonicContact NE-OE2 2.72Å; R359-E363 IonicContact NH2-OE2 3.53Å; R359-E363 WeakPolarHBondContact O-CB 3.5Å; R359-E363 PolarHBondContact O-N 2.67Å; F360-E363 PolarHBondContact O-N 3.09Å; W361-E363 VanDerWaalsContact C-N 3.3Å; W361-E363 PolarHBondContact O-N 3.13Å; E363-K367 WeakPolarHBondContact O-CA 3.41Å
364K97.2Very high95.9Very high108 Ų10853.9 Ų53.947%0.4725%0.252SS..Hα-helixtrans-87.1-44.7-171.9-61.1-52.4-177-154.50113.4F360 W361F360-K364 HydrophobicContact CD2-CG 4.29Å; F360-K364 HydrophobicContact CE1-CG 4.34Å; F360-K364 HydrophobicContact CE2-CG 4.03Å; F360-K364 HydrophobicContact CZ-CG 4.06Å; F360-K364 WeakPolarHBondContact O-CB 3.33Å; F360-K364 WeakPolarHBondContact O-CG 3.47Å; F360-K364 PolarHBondContact O-N 3.1Å; W361-K364 PolarHBondContact O-N 3.44Å
365E97.1Very high96Very high117 Ų11752.1 Ų52.155%0.54724%0.243SC..THydrogen-bonded Turntrans-92.4-53.2-174.1-52.5-55.1151.600110.8W361 K367W361-E365 VanDerWaalsContact CD1-CG 3.41Å; W361-E365 HydrophobicContact CD2-CB 4.24Å; W361-E365 HydrophobicContact CG-CB 4.18Å; W361-E365 HydrophobicContact CG-CG 4.1Å; W361-E365 HydrophobicContact CZ2-CB 4.26Å; W361-E365 WeakPolarHBondContact O-CA 3.42Å; W361-E365 WeakPolarHBondContact O-CB 3.25Å; W361-E365 PolarHBondContact O-N 2.99Å; E365-K367 VanDerWaalsContact C-N 3.25Å; E365-K367 PolarHBondContact O-N 2.77Å
366A97.3Very high96.1Very high1 Ų151.6 Ų51.61%0.00824%0.241CC..SBendtrans-76.1-15.1179.900000113.5R106 L110 W361 L362 I368R106-A366 PolarHBondContact NH2-O 2.97Å; L110-A366 HydrophobicContact CD1-CB 4.27Å; L110-A366 HydrophobicContact CD2-CB 4.24Å; W361-A366 HydrophobicContact CE3-CB 4.33Å; W361-A366 HydrophobicContact CH2-CB 3.69Å; W361-A366 HydrophobicContact CZ2-CB 4.45Å; W361-A366 HydrophobicContact CZ3-CB 3.65Å; W361-A366 PolarHBondContact O-N 3.1Å; W361-A366 VanDerWaalsContact O-N 3.14Å; L362-A366 CarbonylContact O-C 3.54Å; L362-A366 WeakPolarHBondContact O-CB 3.32Å; A366-I368 VanDerWaalsContact C-N 3.32Å; A366-I368 HydrophobicContact CB-CD1 3.55Å; A366-I368 HydrophobicContact CB-CG1 3.92Å; A366-I368 PolarHBondContact O-N 2.96Å
367K97.4Very high96.1Very high157 Ų15751.7 Ų51.768%0.68324%0.241SC*.  trans58.240-178-57.8176.1-177171.70113.1L362 E363 E365L362-K367 PolarHBondContact O-N 3.08Å; L362-K367 VanDerWaalsContact O-N 3.1Å; E363-K367 WeakPolarHBondContact O-CA 3.41Å; E365-K367 VanDerWaalsContact C-N 3.25Å; E365-K367 PolarHBondContact O-N 2.77Å
368I97.3Very high96Very high4 Ų455.9 Ų55.92%0.02126%0.255CS..  trans-93.4128.9179.8-64.9161.7000109.5L110 W353 L362 A366 E372 F373 I376 L440L110-I368 HydrophobicContact CD1-CD1 4.28Å; W353-I368 VanDerWaalsContact CH2-O 3.29Å; W353-I368 WeakPolarHBondContact CH2-O 3.39Å; W353-I368 HydrophobicContact CZ3-CG2 4.42Å; L362-I368 HydrophobicContact CD2-CD1 3.67Å; L362-I368 WeakPolarHBondContact O-CB 3.48Å; L362-I368 PolarHBondContact O-N 3.35Å; A366-I368 VanDerWaalsContact C-N 3.32Å; A366-I368 HydrophobicContact CB-CD1 3.55Å; A366-I368 HydrophobicContact CB-CG1 3.92Å; A366-I368 PolarHBondContact O-N 2.96Å; I368-E372 HydrophobicContact CG2-CB 3.98Å; I368-F373 HydrophobicContact CG2-CB 3.98Å; I368-I376 HydrophobicContact CD1-CD1 3.86Å; I368-I376 HydrophobicContact CG1-CD1 4.16Å; I368-I376 HydrophobicContact CG2-CD1 3.79Å; I368-L440 HydrophobicContact CD1-CD1 4.08Å; I368-L440 HydrophobicContact CD1-CD2 3.68Å; I368-L440 HydrophobicContact CD1-CG 3.97Å
369T95.2Very high95.9Very high72 Ų7255.8 Ų55.844%0.44225%0.254SS..  trans-82.8167.1174.363.90000112.4D371 E372 F373T369-D371 VanDerWaalsContact C-N 3.28Å; T369-D371 PolarHBondContact O-N 2.79Å; T369-E372 WeakPolarHBondContact CB-OE2 3.48Å; T369-E372 WeakPolarHBondContact CG2-OE2 3.43Å; T369-E372 PolarHBondContact N-OE2 2.7Å; T369-E372 PolarHBondContact O-N 2.69Å; T369-E372 WeakPolarHBondContact OG1-CB 3.08Å; T369-E372 VanDerWaalsContact OG1-CD 3.28Å; T369-E372 VanDerWaalsContact OG1-CG 3.25Å; T369-E372 WeakPolarHBondContact OG1-CG 3.45Å; T369-E372 PolarHBondContact OG1-N 2.77Å; T369-E372 PolarHBondContact OG1-OE2 3.31Å; T369-F373 WeakPolarHBondContact O-CB 3.35Å; T369-F373 PolarHBondContact O-N 3.11Å
370S93.9Very high95.9Very high31 Ų3151.1 Ų51.122%0.21724%0.237CC..Hα-helixtrans-58.4-39.1176-169.30000113W353 R374W353-S370 WeakPolarHBondContact CB-OG 3.49Å; S370-R374 WeakPolarHBondContact O-CG 3.04Å; S370-R374 PolarHBondContact O-N 2.94Å; S370-R374 PolarHBondContact OG-NH1 3.18Å; S370-R374 VanDerWaalsContact OG-NH1 3.11Å; S370-R374 PolarHBondContact OG-NH2 3.37Å
371D92.4Very high95.7Very high82 Ų8245.5 Ų45.544%0.43922%0.216SC..Hα-helixtrans-73.5-41.3-179.7-68.2-35.6000111.8T369 F373 R374 L375T369-D371 VanDerWaalsContact C-N 3.28Å; T369-D371 PolarHBondContact O-N 2.79Å; D371-F373 VanDerWaalsContact C-N 3.33Å; D371-F373 PolarHBondContact O-N 2.79Å; D371-R374 WeakPolarHBondContact O-CB 3.28Å; D371-R374 PolarHBondContact O-N 2.69Å; D371-R374 IonicContact OD1-CZ 3.77Å; D371-R374 IonicContact OD1-NH1 2.96Å; D371-R374 PolarHBondContact OD1-NH1 2.96Å; D371-L375 PolarHBondContact O-N 2.84Å
372E95.3Very high95.5Very high52 Ų5245.5 Ų45.524%0.24322%0.216CC..Hα-helixtrans-62.7-39.6173-71.4166.7142.800111.6L103 I368 T369 R374 L375 I376L103-E372 HydrophobicContact CD1-CB 3.9Å; L103-E372 HydrophobicContact CD1-CG 4.04Å; I368-E372 HydrophobicContact CG2-CB 3.98Å; T369-E372 WeakPolarHBondContact CB-OE2 3.48Å; T369-E372 WeakPolarHBondContact CG2-OE2 3.43Å; T369-E372 PolarHBondContact N-OE2 2.7Å; T369-E372 PolarHBondContact O-N 2.69Å; T369-E372 WeakPolarHBondContact OG1-CB 3.08Å; T369-E372 VanDerWaalsContact OG1-CD 3.28Å; T369-E372 VanDerWaalsContact OG1-CG 3.25Å; T369-E372 WeakPolarHBondContact OG1-CG 3.45Å; T369-E372 PolarHBondContact OG1-N 2.77Å; T369-E372 PolarHBondContact OG1-OE2 3.31Å; E372-R374 VanDerWaalsContact C-N 3.3Å; E372-R374 PolarHBondContact O-N 2.59Å; E372-L375 CarbonylContact O-C 3.57Å; E372-L375 WeakPolarHBondContact O-CB 3.38Å; E372-L375 PolarHBondContact O-N 3.26Å; E372-L375 VanDerWaalsContact O-N 3.12Å; E372-I376 WeakPolarHBondContact O-CG1 3.16Å; E372-I376 PolarHBondContact O-N 3.16Å
373F96Very high95Very high1 Ų146.4 Ų46.40%0.00422%0.222CC..Hα-helixtrans-62.3-37175.8-175.4-92.8000112.5C351 W353 T356 L362 I368 T369 D371 L375 I376 S377 I441C351-F373 HydrophobicContact CB-CE1 4.12Å; C351-F373 HydrophobicContact CB-CZ 4.01Å; W353-F373 HydrophobicContact CB-CD1 4.12Å; W353-F373 HydrophobicContact CD2-CB 4.3Å; W353-F373 HydrophobicContact CE3-CB 3.34Å; W353-F373 AromaticContact CE3-CD1 3.88Å; W353-F373 HydrophobicContact CE3-CD1 3.88Å; W353-F373 AromaticContact CE3-CD2 3.87Å; W353-F373 HydrophobicContact CE3-CD2 3.87Å; W353-F373 AromaticContact CE3-CG 3.42Å; W353-F373 HydrophobicContact CE3-CG 3.42Å; W353-F373 VanDerWaalsContact CE3-CG 3.42Å; W353-F373 HydrophobicContact CZ3-CB 3.71Å; W353-F373 AromaticContact CZ3-CD2 3.98Å; W353-F373 HydrophobicContact CZ3-CD2 3.98Å; W353-F373 AromaticContact CZ3-CG 3.92Å; W353-F373 HydrophobicContact CZ3-CG 3.92Å; T356-F373 HydrophobicContact CG2-CE1 4.37Å; T356-F373 HydrophobicContact CG2-CE2 4.22Å; T356-F373 HydrophobicContact CG2-CZ 3.97Å; L362-F373 HydrophobicContact CD1-CD2 3.87Å; L362-F373 HydrophobicContact CD1-CE2 3.57Å; I368-F373 HydrophobicContact CG2-CB 3.98Å; T369-F373 WeakPolarHBondContact O-CB 3.35Å; T369-F373 PolarHBondContact O-N 3.11Å; D371-F373 VanDerWaalsContact C-N 3.33Å; D371-F373 PolarHBondContact O-N 2.79Å; F373-L375 VanDerWaalsContact C-N 3.29Å; F373-L375 PolarHBondContact O-N 3.41Å; F373-I376 PolarHBondContact O-N 3.3Å; F373-S377 VanDerWaalsContact O-CB 3.27Å; F373-S377 WeakPolarHBondContact O-CB 3.42Å; F373-S377 PolarHBondContact O-N 3.21Å; F373-I441 HydrophobicContact CE2-CG1 3.88Å; F373-I441 HydrophobicContact CZ-CG1 4.25Å
374R93.3Very high94.4Very high81 Ų8145.7 Ų45.731%0.30622%0.222SC..Hα-helixtrans-60.9-41.7173.9-70.8174.3-178.299.313.8111.1S370 D371 E372 Y378S370-R374 WeakPolarHBondContact O-CG 3.04Å; S370-R374 PolarHBondContact O-N 2.94Å; S370-R374 PolarHBondContact OG-NH1 3.18Å; S370-R374 VanDerWaalsContact OG-NH1 3.11Å; S370-R374 PolarHBondContact OG-NH2 3.37Å; D371-R374 WeakPolarHBondContact O-CB 3.28Å; D371-R374 PolarHBondContact O-N 2.69Å; D371-R374 IonicContact OD1-CZ 3.77Å; D371-R374 IonicContact OD1-NH1 2.96Å; D371-R374 PolarHBondContact OD1-NH1 2.96Å; E372-R374 VanDerWaalsContact C-N 3.3Å; E372-R374 PolarHBondContact O-N 2.59Å; R374-Y378 PolarHBondContact O-N 2.73Å
375L95.5Very high93.4Very high12 Ų1243.9 Ų43.96%0.06322%0.223CC..Hα-helixtrans-68.7-43176.2-65.4176.9000112.1L92 V95 T99 M100 L103 D371 E372 F373 S377 Y378 L379L92-L375 HydrophobicContact CD2-CD2 3.65Å; V95-L375 HydrophobicContact CB-CD2 4.41Å; V95-L375 HydrophobicContact CG1-CD1 3.82Å; V95-L375 HydrophobicContact CG1-CD2 4.01Å; V95-L375 HydrophobicContact CG2-CD2 3.88Å; T99-L375 HydrophobicContact CG2-CD1 4.43Å; M100-L375 HydrophobicContact CE-CD2 4.27Å; L103-L375 HydrophobicContact CD2-CB 3.22Å; L103-L375 HydrophobicContact CD2-CD1 3.85Å; L103-L375 HydrophobicContact CD2-CG 4.17Å; D371-L375 PolarHBondContact O-N 2.84Å; E372-L375 CarbonylContact O-C 3.57Å; E372-L375 WeakPolarHBondContact O-CB 3.38Å; E372-L375 PolarHBondContact O-N 3.26Å; E372-L375 VanDerWaalsContact O-N 3.12Å; F373-L375 VanDerWaalsContact C-N 3.29Å; F373-L375 PolarHBondContact O-N 3.41Å; L375-S377 VanDerWaalsContact C-N 3.32Å; L375-S377 PolarHBondContact O-N 3.27Å; L375-Y378 CarbonylContact O-C 3.59Å; L375-Y378 WeakPolarHBondContact O-CB 3.44Å; L375-Y378 PolarHBondContact O-N 3.27Å; L375-Y378 VanDerWaalsContact O-N 3.13Å; L375-L379 WeakPolarHBondContact O-CB 3.41Å; L375-L379 VanDerWaalsContact O-CG 3.26Å; L375-L379 WeakPolarHBondContact O-CG 3.29Å; L375-L379 PolarHBondContact O-N 2.95Å
376I97Very high91.9Very high2 Ų241.3 Ų41.31%0.0123%0.228CC..Hα-helixtrans-57.7-46.6173.6-71.2163.8000110.3L103 I368 E372 F373 Y378 L379 S380 C437 L440 I441L103-I376 HydrophobicContact CD1-CD1 4.06Å; L103-I376 HydrophobicContact CD1-CG1 3.98Å; L103-I376 HydrophobicContact CD2-CG1 4.13Å; L103-I376 HydrophobicContact CG-CG1 4.29Å; I368-I376 HydrophobicContact CD1-CD1 3.86Å; I368-I376 HydrophobicContact CG1-CD1 4.16Å; I368-I376 HydrophobicContact CG2-CD1 3.79Å; E372-I376 WeakPolarHBondContact O-CG1 3.16Å; E372-I376 PolarHBondContact O-N 3.16Å; F373-I376 PolarHBondContact O-N 3.3Å; I376-Y378 VanDerWaalsContact C-N 3.34Å; I376-Y378 PolarHBondContact O-N 2.95Å; I376-L379 PolarHBondContact O-N 2.91Å; I376-S380 WeakPolarHBondContact O-CB 3.17Å; I376-S380 PolarHBondContact O-N 2.88Å; I376-C437 HydrophobicContact CG2-CB 3.81Å; I376-C437 WeakPolarHBondContact O-CB 3.45Å; I376-L440 HydrophobicContact CD1-CD2 3.83Å; I376-L440 HydrophobicContact CG2-CD2 4.41Å; I376-I441 HydrophobicContact CG2-CD1 4.11Å; I376-I441 HydrophobicContact CG2-CG1 4.11Å
377S95.4Very high90.2Very high7 Ų744.4 Ų44.45%0.04924%0.244CC..Hα-helixtrans-57.1-47.2174.7179.40000110.6H348 S349 C351 F373 L375 S380H348-S377 PolarHBondContact O-OG 3.35Å; S349-S377 WeakPolarHBondContact CA-O 3.28Å; S349-S377 WeakPolarHBondContact CA-OG 3.39Å; S349-S377 WeakPolarHBondContact CB-O 3.26Å; C351-S377 PolarHBondContact O-OG 3.08Å; C351-S377 VanDerWaalsContact O-OG 3.09Å; F373-S377 VanDerWaalsContact O-CB 3.27Å; F373-S377 WeakPolarHBondContact O-CB 3.42Å; F373-S377 PolarHBondContact O-N 3.21Å; L375-S377 VanDerWaalsContact C-N 3.32Å; L375-S377 PolarHBondContact O-N 3.27Å; S377-S380 WeakPolarHBondContact O-CB 2.99Å; S377-S380 PolarHBondContact O-N 3.27Å; S377-S380 PolarHBondContact O-OG 3.45Å
378Y93.6Very high88.2Confident98 Ų9846.2 Ų46.238%0.38425%0.252SS..Hα-helixtrans-61.3-51.5174.9173.4-102.6000113.3L92 R374 L375 I376 S380 S381L92-Y378 HydrophobicContact CD1-CD2 3.41Å; L92-Y378 VanDerWaalsContact CD1-CD2 3.41Å; L92-Y378 HydrophobicContact CD1-CE2 3.66Å; L92-Y378 HydrophobicContact CD1-CG 3.89Å; L92-Y378 HydrophobicContact CD2-CD1 4.08Å; L92-Y378 HydrophobicContact CD2-CD2 4.28Å; L92-Y378 HydrophobicContact CD2-CG 3.89Å; R374-Y378 PolarHBondContact O-N 2.73Å; L375-Y378 CarbonylContact O-C 3.59Å; L375-Y378 WeakPolarHBondContact O-CB 3.44Å; L375-Y378 PolarHBondContact O-N 3.27Å; L375-Y378 VanDerWaalsContact O-N 3.13Å; I376-Y378 VanDerWaalsContact C-N 3.34Å; I376-Y378 PolarHBondContact O-N 2.95Å; Y378-S380 PolarHBondContact O-N 2.85Å; Y378-S381 WeakPolarHBondContact O-CB 3.05Å; Y378-S381 PolarHBondContact O-N 3.43Å; Y378-S381 VanDerWaalsContact O-N 3.12Å; Y378-S381 PolarHBondContact O-OG 3.43Å
379L95.1Very high86Confident0 Ų047.4 Ų47.40%026%0.26CS..Hα-helixtrans-61.4-29.3-178.7-71.4173.8000112.5M100 L103 I104 L375 I376 S381 W382 G434M100-L379 HydrophobicContact SD-CD1 4.03Å; M100-L379 HydrophobicContact SD-CD2 3.88Å; M100-L379 HydrophobicContact SD-CG 4.19Å; L103-L379 HydrophobicContact CD2-CD1 4.17Å; I104-L379 HydrophobicContact CG1-CD1 4.34Å; L375-L379 WeakPolarHBondContact O-CB 3.41Å; L375-L379 VanDerWaalsContact O-CG 3.26Å; L375-L379 WeakPolarHBondContact O-CG 3.29Å; L375-L379 PolarHBondContact O-N 2.95Å; I376-L379 PolarHBondContact O-N 2.91Å; L379-S381 PolarHBondContact O-N 3.43Å; L379-W382 HydrophobicContact CD2-CD2 3.88Å; L379-W382 HydrophobicContact CD2-CE3 3.87Å; L379-W382 HydrophobicContact CD2-CH2 3.45Å; L379-W382 VanDerWaalsContact CD2-CH2 3.45Å; L379-W382 HydrophobicContact CD2-CZ2 3.42Å; L379-W382 VanDerWaalsContact CD2-CZ2 3.42Å; L379-W382 HydrophobicContact CD2-CZ3 3.66Å; L379-W382 WeakPolarHBondContact O-CB 3.22Å; L379-W382 PolarHBondContact O-N 3.19Å; L379-G434 WeakPolarHBondContact O-CA 3.11Å
380S95.4Very high83.9Confident1 Ų154.2 Ų54.21%0.00728%0.284CS..G310 helixtrans-53-28.617580.10000113.3H348 S349 I376 S377 Y378 W382 S383 K438H348-S380 WeakPolarHBondContact CB-OG 3.42Å; S349-S380 PolarHBondContact N-OG 3.01Å; I376-S380 WeakPolarHBondContact O-CB 3.17Å; I376-S380 PolarHBondContact O-N 2.88Å; S377-S380 WeakPolarHBondContact O-CB 2.99Å; S377-S380 PolarHBondContact O-N 3.27Å; S377-S380 PolarHBondContact O-OG 3.45Å; Y378-S380 PolarHBondContact O-N 2.85Å; S380-W382 VanDerWaalsContact C-N 3.27Å; S380-W382 PolarHBondContact O-N 2.96Å; S380-S383 PolarHBondContact O-N 3.24Å; S380-S383 PolarHBondContact O-OG 2.88Å; S380-K438 WeakPolarHBondContact O-CE 3.34Å
381S92.9Very high81.8Confident25 Ų2554.2 Ų54.218%0.17528%0.284CS..G310 helixtrans-66.6-24.417868.80000113.7Y378 L379 S383 V384 S385Y378-S381 WeakPolarHBondContact O-CB 3.05Å; Y378-S381 PolarHBondContact O-N 3.43Å; Y378-S381 VanDerWaalsContact O-N 3.12Å; Y378-S381 PolarHBondContact O-OG 3.43Å; L379-S381 PolarHBondContact O-N 3.43Å; S381-S383 PolarHBondContact O-N 3.3Å; S381-S383 VanDerWaalsContact O-N 3.09Å; S381-V384 VanDerWaalsContact O-CG2 3.26Å; S381-V384 WeakPolarHBondContact O-CG2 3.48Å; S381-V384 PolarHBondContact O-N 3.36Å; S381-S385 PolarHBondContact O-N 2.93Å; S381-S385 VanDerWaalsContact O-N 3.15Å; S381-S385 PolarHBondContact O-OG 2.88Å
382W93Very high79.8Confident33 Ų3355.2 Ų55.213%0.12530%0.297CS..G310 helixtrans-60-24.8-180-70.9-0.3000113.3I104 L379 S380 V384 L422 L425 K430 I433I104-W382 HydrophobicContact CD1-CH2 4.15Å; I104-W382 HydrophobicContact CD1-CZ3 4.09Å; L379-W382 HydrophobicContact CD2-CD2 3.88Å; L379-W382 HydrophobicContact CD2-CE3 3.87Å; L379-W382 HydrophobicContact CD2-CH2 3.45Å; L379-W382 VanDerWaalsContact CD2-CH2 3.45Å; L379-W382 HydrophobicContact CD2-CZ2 3.42Å; L379-W382 VanDerWaalsContact CD2-CZ2 3.42Å; L379-W382 HydrophobicContact CD2-CZ3 3.66Å; L379-W382 WeakPolarHBondContact O-CB 3.22Å; L379-W382 PolarHBondContact O-N 3.19Å; S380-W382 VanDerWaalsContact C-N 3.27Å; S380-W382 PolarHBondContact O-N 2.96Å; W382-V384 VanDerWaalsContact C-N 3.25Å; W382-V384 PolarHBondContact O-N 2.95Å; W382-L422 HydrophobicContact CH2-CD1 4.12Å; W382-L425 HydrophobicContact CZ3-CD2 4.14Å; W382-K430 HydrophobicContact CB-CB 4.47Å; W382-K430 VanDerWaalsContact CB-O 3.25Å; W382-K430 WeakPolarHBondContact CB-O 3.46Å; W382-K430 HydrophobicContact CD2-CB 4.14Å; W382-K430 HydrophobicContact CD2-CG 4.31Å; W382-K430 HydrophobicContact CE3-CB 3.74Å; W382-K430 HydrophobicContact CE3-CG 3.82Å; W382-K430 HydrophobicContact CH2-CG 4.34Å; W382-K430 HydrophobicContact CZ3-CB 4.25Å; W382-K430 HydrophobicContact CZ3-CG 3.84Å; W382-I433 HydrophobicContact CE3-CB 4.32Å; W382-I433 HydrophobicContact CE3-CG2 4.18Å; W382-I433 HydrophobicContact CZ3-CG2 4.27Å
383S88.2Confident77.6Confident20 Ų2060.3 Ų60.314%0.1432%0.321CS..G310 helixtrans-68.6-20.2174.962.40000114.3S380 S381 K438S380-S383 PolarHBondContact O-N 3.24Å; S380-S383 PolarHBondContact O-OG 2.88Å; S381-S383 PolarHBondContact O-N 3.3Å; S381-S383 VanDerWaalsContact O-N 3.09Å; S383-K438 WeakPolarHBondContact OG-CD 3.31Å; S383-K438 WeakPolarHBondContact OG-CE 3.35Å; S383-K438 PolarHBondContact OG-NZ 3.16Å; S383-K438 VanDerWaalsContact OG-NZ 3.08Å
384V83.1Confident75.3Confident56 Ų5664.8 Ų64.834%0.33934%0.342SS..THydrogen-bonded Turntrans-121.4-4.4-174.3-580000114S381 W382 G386 P470S381-V384 VanDerWaalsContact O-CG2 3.26Å; S381-V384 WeakPolarHBondContact O-CG2 3.48Å; S381-V384 PolarHBondContact O-N 3.36Å; W382-V384 VanDerWaalsContact C-N 3.25Å; W382-V384 PolarHBondContact O-N 2.95Å; V384-G386 PolarHBondContact O-N 2.85Å; V384-P470 HydrophobicContact CB-CG 4.34Å; V384-P470 HydrophobicContact CG1-CB 3.96Å; V384-P470 HydrophobicContact CG1-CG 3.9Å
385S77.7Confident73.3Confident70 Ų7061.2 Ų61.249%0.4933%0.33SS..SBendtrans-65.112-175.2-65.30000115.5S381 L387S381-S385 PolarHBondContact O-N 2.93Å; S381-S385 VanDerWaalsContact O-N 3.15Å; S381-S385 PolarHBondContact O-OG 2.88Å; S385-L387 PolarHBondContact O-N 3.17Å
386G64.5Low71.4Confident62 Ų6264.8 Ų64.864%0.63935%0.349SS*.  trans67.315.9179.900000113.8V384 K388V384-G386 PolarHBondContact O-N 2.85Å; G386-K388 PolarHBondContact O-N 3.33Å
387L61.8Low69.3Low67 Ų6768.5 Ų68.535%0.35137%0.369SS..  trans-65.3105.2174.2-61.3168.9000108S385 C389 V427 K430 V431S385-L387 PolarHBondContact O-N 3.17Å; L387-C389 PolarHBondContact O-N 3.45Å; L387-V427 HydrophobicContact CB-CG1 3.66Å; L387-K430 HydrophobicContact CD1-CB 4.16Å; L387-V431 HydrophobicContact CB-CG2 4.15Å
388K54.7Low67.1Low194 Ų19473 Ų7384%0.84340%0.398SS*.  trans-75.594.6179-67.9-174.4178.8-176.60109.6G386 K390G386-K388 PolarHBondContact O-N 3.33Å; K388-K390 PolarHBondContact O-N 3.3Å
389C52.7Low65.1Low30 Ų3072 Ų7220%0.20340%0.398CS..  trans-63.9127.8159.7178.80000107L387 S391 V427 C428L387-C389 PolarHBondContact O-N 3.45Å; C389-S391 PolarHBondContact O-N 2.73Å; C389-S391 VanDerWaalsContact O-N 3.07Å; C389-S391 PolarHBondContact SG-O 3.28Å; C389-V427 HydrophobicContact CB-CG1 4.2Å; C389-C428 HydrophobicContact CB-CB 4.13Å; C389-C428 WeakPolarHBondContact CB-SG 3.44Å; C389-C428 WeakPolarHBondContact SG-CB 3.5Å; C389-C428 CovalentContact SG-SG 2.04Å; C389-C428 PolarHBondContact SG-SG 3.01Å
390K49.7Very low62.8Low214 Ų21476.5 Ų76.593%0.9342%0.419SS*.SBendtrans-69.5-1.9-175.1-72.8-176.3178177.50113.4K388K388-K390 PolarHBondContact O-N 3.3Å
391S50.1Low60.6Low32 Ų3281.6 Ų81.622%0.22446%0.455CS..  trans-149.799.9-170.236.60000108.8C389 E393 Q394C389-S391 PolarHBondContact O-N 2.73Å; C389-S391 VanDerWaalsContact O-N 3.07Å; C389-S391 PolarHBondContact SG-O 3.28Å; S391-E393 PolarHBondContact O-N 3.3Å; S391-Q394 PolarHBondContact O-N 3.17Å; S391-Q394 VanDerWaalsContact OG-CD 3.25Å; S391-Q394 PolarHBondContact OG-OE1 3.44Å
392S50.3Low58.5Low103 Ų10384.2 Ų84.272%0.7247%0.474SS*.THydrogen-bonded Turntrans-56.3-30.4178.546.80000113.2
393E50.1Low56.9Low158 Ų15884 Ų8474%0.73847%0.474SS*.THydrogen-bonded Turntrans-75.6-28.3-179.1-67.2172.8179.100113.6S391 A395S391-E393 PolarHBondContact O-N 3.3Å; E393-A395 PolarHBondContact O-N 3.15Å
394Q48Very low56.1Low95 Ų9587.8 Ų87.844%0.44449%0.49SS..THydrogen-bonded Turntrans-75-24.2-177.4-78.2178.2-13.700113.6S391 N396 N397S391-Q394 PolarHBondContact O-N 3.17Å; S391-Q394 VanDerWaalsContact OG-CD 3.25Å; S391-Q394 PolarHBondContact OG-OE1 3.44Å; Q394-N396 PolarHBondContact O-N 3.01Å; Q394-N397 PolarHBondContact O-N 2.6Å
395A51.7Low56.1Low6 Ų688.3 Ų88.35%0.0550%0.496CS..THydrogen-bonded Turntrans-65.8-21.1-178.600000113.8E393 R432E393-A395 PolarHBondContact O-N 3.15Å; A395-R432 WeakPolarHBondContact O-CB 3.11Å
396N54.5Low56.8Low88 Ų8885.2 Ų85.247%0.47147%0.474SS..THydrogen-bonded Turntrans-102.3-14.3178.5-66.3-8.9000112.8Q394 R432 K435Q394-N396 PolarHBondContact O-N 3.01Å; N396-R432 PolarHBondContact O-NH1 2.95Å; N396-K435 PolarHBondContact OD1-NZ 2.79Å; N396-K435 VanDerWaalsContact OD1-NZ 3.09Å
397N53.5Low58.1Low79 Ų7984.9 Ų84.942%0.42246%0.457SS..SBendtrans-67.8146.3-178.8-77.6-18.3000111.7Q394 R432Q394-N397 PolarHBondContact O-N 2.6Å; N397-R432 PolarHBondContact O-NH1 3.2Å
398P48.8Very low59.6Low103 Ų10388.6 Ų88.667%0.66947%0.47SS*.  trans-54.9139.2171.4-25.135.8000111.7H400P398-H400 PolarHBondContact O-N 3.27Å
399I51.1Low61.5Low75 Ų7579.8 Ų79.839%0.38543%0.434SS..  trans-25.6110.4178.8-60.1175.4000112.1D403 Q404I399-D403 HydrophobicContact CG2-CB 3.76Å; I399-Q404 HydrophobicContact CG2-CG 4.32Å
400H47.1Very low63.5Low95 Ų9580 Ų8044%0.4443%0.433SS..  trans-67.7152.2167.5-86.3-71.6000109.4P398 S402 D403P398-H400 PolarHBondContact O-N 3.27Å; H400-S402 PolarHBondContact O-N 3.34Å; H400-D403 WeakPolarHBondContact O-CB 3.47Å; H400-D403 PolarHBondContact O-N 3.45Å
401S50Low65.6Low109 Ų10978.6 Ų78.676%0.76243%0.427SS*.THydrogen-bonded Turntrans-54.7-21.3-178.154.90000115.1D403S401-D403 VanDerWaalsContact C-N 3.32Å
402S48.3Very low67.7Low80 Ų8079.9 Ų79.956%0.55944%0.436SS*.THydrogen-bonded Turntrans-67.8-27.5173.349.60000113.7H400 S405H400-S402 PolarHBondContact O-N 3.34Å; S402-S405 PolarHBondContact O-OG 3.36Å
403D59.7Low69.7Low27 Ų2777.1 Ų77.114%0.14442%0.423CS..THydrogen-bonded Turntrans-85.7-11.1-170.6-60.9-24.4000112.8I399 H400 S401 S405 Y406 V429I399-D403 HydrophobicContact CG2-CB 3.76Å; H400-D403 WeakPolarHBondContact O-CB 3.47Å; H400-D403 PolarHBondContact O-N 3.45Å; S401-D403 VanDerWaalsContact C-N 3.32Å; D403-S405 PolarHBondContact O-N 3.09Å; D403-S405 VanDerWaalsContact O-N 3.15Å; D403-Y406 WeakPolarHBondContact O-CD1 3.24Å; D403-Y406 VanDerWaalsContact O-CE1 3.27Å; D403-Y406 WeakPolarHBondContact O-CE1 3.46Å; D403-V429 HydrophobicContact CB-CG2 4.12Å; D403-V429 VanDerWaalsContact CG-CG2 3.41Å; D403-V429 WeakPolarHBondContact OD1-CG2 3.39Å
404Q71.1Confident71.9Confident101 Ų10173 Ų7347%0.47241%0.406SS..THydrogen-bonded Turntrans-70.1-4.7173.1-67.5-172.3-5.600113.7I399 Y406 L407 K408I399-Q404 HydrophobicContact CG2-CG 4.32Å; Q404-Y406 PolarHBondContact O-N 2.98Å; Q404-L407 PolarHBondContact O-N 3.33Å; Q404-K408 PolarHBondContact O-N 3.44Å; Q404-K408 VanDerWaalsContact O-N 3.15Å
405S83.2Confident74.1Confident66 Ų6671.8 Ų71.846%0.46240%0.401SS..Hα-helixtrans-59.7-44.2-179.357.40000112.5S402 D403 L407 K408 A409S402-S405 PolarHBondContact O-OG 3.36Å; D403-S405 PolarHBondContact O-N 3.09Å; D403-S405 VanDerWaalsContact O-N 3.15Å; S405-L407 VanDerWaalsContact C-N 3.33Å; S405-L407 PolarHBondContact O-N 3.3Å; S405-K408 WeakPolarHBondContact O-CB 3.17Å; S405-K408 PolarHBondContact O-N 2.77Å; S405-A409 PolarHBondContact O-N 3.13Å; S405-A409 VanDerWaalsContact O-N 3.09Å
406Y91.2Very high76.2Confident6 Ų678.4 Ų78.42%0.02443%0.428CS..Hα-helixtrans-70.2-29.217982.3-94.7000112.8L101 I104 A105 D403 Q404 K408 A409 L410 L425L101-Y406 HydrophobicContact CD2-CD2 4.01Å; L101-Y406 HydrophobicContact CD2-CG 4.25Å; I104-Y406 HydrophobicContact CG2-CD2 4.48Å; I104-Y406 HydrophobicContact CG2-CE2 3.87Å; A105-Y406 HydrophobicContact CB-CE2 4.42Å; D403-Y406 WeakPolarHBondContact O-CD1 3.24Å; D403-Y406 VanDerWaalsContact O-CE1 3.27Å; D403-Y406 WeakPolarHBondContact O-CE1 3.46Å; Q404-Y406 PolarHBondContact O-N 2.98Å; Y406-K408 VanDerWaalsContact C-N 3.32Å; Y406-A409 PolarHBondContact O-N 2.79Å; Y406-L410 VanDerWaalsContact O-CB 3.3Å; Y406-L410 WeakPolarHBondContact O-CB 3.46Å; Y406-L410 PolarHBondContact O-N 3.37Å; Y406-L425 HydrophobicContact CD1-CD1 3.68Å; Y406-L425 HydrophobicContact CE1-CD1 4.39Å; Y406-L425 HydrophobicContact CG-CD1 4.19Å
407L92.2Very high78.1Confident54 Ų5478.9 Ų78.928%0.28343%0.428SS..Hα-helixtrans-68.4-33.9173.9-68175.3000111.5A105 Q404 S405 K411A105-L407 HydrophobicContact CB-CD2 4.08Å; Q404-L407 PolarHBondContact O-N 3.33Å; S405-L407 VanDerWaalsContact C-N 3.33Å; S405-L407 PolarHBondContact O-N 3.3Å; L407-K411 VanDerWaalsContact O-CG 3.3Å; L407-K411 WeakPolarHBondContact O-CG 3.43Å; L407-K411 PolarHBondContact O-N 3.43Å; L407-K411 VanDerWaalsContact O-N 3.1Å
408K92.9Very high80.2Confident145 Ų14575.1 Ų75.163%0.6341%0.408SS*.Hα-helixtrans-67.5-46.4173.1-68.2176.3-177.1177.90111Q404 S405 Y406 L410 K411 S412Q404-K408 PolarHBondContact O-N 3.44Å; Q404-K408 VanDerWaalsContact O-N 3.15Å; S405-K408 WeakPolarHBondContact O-CB 3.17Å; S405-K408 PolarHBondContact O-N 2.77Å; Y406-K408 VanDerWaalsContact C-N 3.32Å; K408-L410 VanDerWaalsContact C-N 3.33Å; K408-L410 PolarHBondContact O-N 3.12Å; K408-K411 WeakPolarHBondContact O-CB 3.25Å; K408-K411 PolarHBondContact O-N 3.19Å; K408-K411 VanDerWaalsContact O-N 3.15Å; K408-S412 PolarHBondContact O-N 3.46Å; K408-S412 VanDerWaalsContact O-N 3.11Å
409A94.5Very high82.4Confident9 Ų975.4 Ų75.47%0.07440%0.4CS..Hα-helixtrans-60.9-41.6174.500000111.9L101 S405 Y406 K411 S412 G413 E417 C418 A421L101-A409 HydrophobicContact CD1-CB 4.41Å; S405-A409 PolarHBondContact O-N 3.13Å; S405-A409 VanDerWaalsContact O-N 3.09Å; Y406-A409 PolarHBondContact O-N 2.79Å; A409-K411 VanDerWaalsContact C-N 3.26Å; A409-K411 PolarHBondContact O-N 2.84Å; A409-S412 PolarHBondContact O-N 3.37Å; A409-S412 PolarHBondContact O-OG 3Å; A409-G413 PolarHBondContact O-N 3.2Å; A409-E417 HydrophobicContact CB-CB 4.3Å; A409-C418 PolarHBondContact O-SG 3.22Å; A409-A421 HydrophobicContact CB-CB 3.61Å
410L94.9Very high84.4Confident36 Ų3675.8 Ų75.819%0.18840%0.403CS..Hα-helixtrans-61.7-35175.8-179.461.2000112.4V98 L101 R102 A105 Y406 K408 G413V98-L410 HydrophobicContact CG1-CD1 4.43Å; L101-L410 HydrophobicContact CB-CB 4.4Å; L101-L410 HydrophobicContact CB-CD1 4.11Å; R102-L410 HydrophobicContact CB-CD1 4.08Å; A105-L410 HydrophobicContact CB-CD2 3.91Å; Y406-L410 VanDerWaalsContact O-CB 3.3Å; Y406-L410 WeakPolarHBondContact O-CB 3.46Å; Y406-L410 PolarHBondContact O-N 3.37Å; K408-L410 VanDerWaalsContact C-N 3.33Å; K408-L410 PolarHBondContact O-N 3.12Å; L410-G413 PolarHBondContact O-N 3.3Å
411K94.6Very high86.7Confident183 Ų18371.9 Ų71.980%0.79639%0.387SS*.Hα-helixtrans-71.6-31.9176.4-76.8174.6-178.6-1770113.3L407 K408 A409 G413L407-K411 VanDerWaalsContact O-CG 3.3Å; L407-K411 WeakPolarHBondContact O-CG 3.43Å; L407-K411 PolarHBondContact O-N 3.43Å; L407-K411 VanDerWaalsContact O-N 3.1Å; K408-K411 WeakPolarHBondContact O-CB 3.25Å; K408-K411 PolarHBondContact O-N 3.19Å; K408-K411 VanDerWaalsContact O-N 3.15Å; A409-K411 VanDerWaalsContact C-N 3.26Å; A409-K411 PolarHBondContact O-N 2.84Å; K411-G413 PolarHBondContact O-N 2.88Å
412S93.9Very high88.7Confident60 Ų6068.3 Ų68.342%0.4236%0.359SS..Hα-helixtrans-68.4-28.8174.1690000111.2K408 A409 D414 E417K408-S412 PolarHBondContact O-N 3.46Å; K408-S412 VanDerWaalsContact O-N 3.11Å; A409-S412 PolarHBondContact O-N 3.37Å; A409-S412 PolarHBondContact O-OG 3Å; S412-D414 PolarHBondContact O-N 3.32Å; S412-D414 PolarHBondContact OG-N 3.29Å; S412-E417 WeakPolarHBondContact CB-OE2 3.34Å; S412-E417 PolarHBondContact OG-OE2 2.9Å
413G92.8Very high90.7Very high44 Ų4471.1 Ų71.145%0.45436%0.363SS..  trans70.35.2-179.300000113.2A409 L410 K411A409-G413 PolarHBondContact O-N 3.2Å; L410-G413 PolarHBondContact O-N 3.3Å; K411-G413 PolarHBondContact O-N 2.88Å
414D95.3Very high92.2Very high71 Ų7175.6 Ų75.638%0.3839%0.387SS..  trans-78.5126.5177.9-179.179.2000110.1S412 K416 E417 C418S412-D414 PolarHBondContact O-N 3.32Å; S412-D414 PolarHBondContact OG-N 3.29Å; D414-K416 VanDerWaalsContact C-N 3.31Å; D414-K416 PolarHBondContact O-N 3.33Å; D414-K416 WeakPolarHBondContact OD2-CA 3.33Å; D414-K416 VanDerWaalsContact OD2-CB 3.3Å; D414-K416 WeakPolarHBondContact OD2-CB 3.33Å; D414-K416 PolarHBondContact OD2-N 3.38Å; D414-E417 HydrophobicContact CB-CB 4.1Å; D414-E417 HydrophobicContact CB-CG 4.08Å; D414-E417 PolarHBondContact O-N 3.29Å; D414-E417 PolarHBondContact OD2-N 3.2Å; D414-C418 WeakPolarHBondContact O-CB 3.25Å; D414-C418 PolarHBondContact O-N 2.97Å; D414-C418 PolarHBondContact O-SG 3.06Å
415E95.2Very high93.2Very high71 Ų7171.2 Ų71.233%0.33237%0.367SS..Hα-helixtrans-65.7-34.9-174.7-179.857.2-154.800112S96 S97 V98 Q419S96-E415 VanDerWaalsContact CB-OE2 3.31Å; S96-E415 WeakPolarHBondContact CB-OE2 3.45Å; S97-E415 WeakPolarHBondContact CA-OE1 3.48Å; S97-E415 WeakPolarHBondContact CB-OE1 3.46Å; S97-E415 PolarHBondContact N-OE1 2.59Å; S97-E415 PolarHBondContact N-OE2 2.9Å; S97-E415 PolarHBondContact OG-OE1 3.32Å; V98-E415 VanDerWaalsContact CG2-OE2 3.25Å; V98-E415 WeakPolarHBondContact CG2-OE2 3.37Å; V98-E415 PolarHBondContact N-OE2 3.11Å; V98-E415 VanDerWaalsContact N-OE2 3.11Å; E415-Q419 VanDerWaalsContact O-CB 3.24Å; E415-Q419 WeakPolarHBondContact O-CB 3.44Å; E415-Q419 PolarHBondContact O-N 2.88Å
416K95.1Very high93.5Very high144 Ų14471.6 Ų71.663%0.62636%0.364SS*.Hα-helixtrans-72.8-44.8180-175.1-178.6178.2-176.30110.9D414 C418 Q419 D420D414-K416 VanDerWaalsContact C-N 3.31Å; D414-K416 PolarHBondContact O-N 3.33Å; D414-K416 WeakPolarHBondContact OD2-CA 3.33Å; D414-K416 VanDerWaalsContact OD2-CB 3.3Å; D414-K416 WeakPolarHBondContact OD2-CB 3.33Å; D414-K416 PolarHBondContact OD2-N 3.38Å; K416-C418 VanDerWaalsContact C-N 3.31Å; K416-C418 PolarHBondContact O-N 2.97Å; K416-Q419 WeakPolarHBondContact O-CB 3.11Å; K416-Q419 PolarHBondContact O-N 3.28Å; K416-D420 PolarHBondContact O-N 2.96Å
417E95.3Very high93.4Very high99 Ų9973.6 Ų73.646%0.46338%0.376SS..Hα-helixtrans-60.1-41.9173-69.8-175.3-165.400111.6A409 S412 D414 D420 A421A409-E417 HydrophobicContact CB-CB 4.3Å; S412-E417 WeakPolarHBondContact CB-OE2 3.34Å; S412-E417 PolarHBondContact OG-OE2 2.9Å; D414-E417 HydrophobicContact CB-CB 4.1Å; D414-E417 HydrophobicContact CB-CG 4.08Å; D414-E417 PolarHBondContact O-N 3.29Å; D414-E417 PolarHBondContact OD2-N 3.2Å; E417-D420 PolarHBondContact O-N 2.92Å; E417-A421 VanDerWaalsContact O-CB 3.31Å; E417-A421 WeakPolarHBondContact O-CB 3.16Å; E417-A421 PolarHBondContact O-N 3.09Å
418C95.9Very high93.3Very high0 Ų071.8 Ų71.80%037%0.368CS..Hα-helixtrans-64.7-40.5175.6-72.40000112.1V98 L101 A409 D414 K416 A421 L422V98-C418 HydrophobicContact CG2-CB 3.94Å; V98-C418 VanDerWaalsContact CG2-SG 3.54Å; L101-C418 HydrophobicContact CD1-CB 3.75Å; A409-C418 PolarHBondContact O-SG 3.22Å; D414-C418 WeakPolarHBondContact O-CB 3.25Å; D414-C418 PolarHBondContact O-N 2.97Å; D414-C418 PolarHBondContact O-SG 3.06Å; K416-C418 VanDerWaalsContact C-N 3.31Å; K416-C418 PolarHBondContact O-N 2.97Å; C418-A421 PolarHBondContact O-N 3.48Å; C418-L422 VanDerWaalsContact O-CB 3.23Å; C418-L422 WeakPolarHBondContact O-CB 3.39Å; C418-L422 PolarHBondContact O-N 3.34Å
419Q94.9Very high93.2Very high109 Ų10965.4 Ų65.451%0.50934%0.341SS..Hα-helixtrans-63-46.9177.1-173.7178.411.600111.1S97 E415 K416 L422 H423S97-Q419 WeakPolarHBondContact OG-CA 3.28Å; S97-Q419 WeakPolarHBondContact OG-CB 3.45Å; E415-Q419 VanDerWaalsContact O-CB 3.24Å; E415-Q419 WeakPolarHBondContact O-CB 3.44Å; E415-Q419 PolarHBondContact O-N 2.88Å; K416-Q419 WeakPolarHBondContact O-CB 3.11Å; K416-Q419 PolarHBondContact O-N 3.28Å; Q419-L422 PolarHBondContact O-N 3.37Å; Q419-H423 WeakPolarHBondContact O-CB 3.3Å; Q419-H423 PolarHBondContact O-N 2.9Å
420D94.4Very high93.1Very high82 Ų8267 Ų6744%0.43935%0.346SS..Hα-helixtrans-62.7-43.7177.6-73.3-21.7000111K416 E417 H423 N424K416-D420 PolarHBondContact O-N 2.96Å; E417-D420 PolarHBondContact O-N 2.92Å; D420-H423 PolarHBondContact O-N 3.01Å; D420-N424 VanDerWaalsContact O-CB 3.31Å; D420-N424 WeakPolarHBondContact O-CB 3.19Å; D420-N424 VanDerWaalsContact O-CG 3.24Å; D420-N424 PolarHBondContact O-N 3.12Å; D420-N424 PolarHBondContact O-ND2 3.19Å
421A94.2Very high93Very high14 Ų1466.1 Ų66.112%0.11634%0.343CS..Hα-helixtrans-65-42.1176.800000112.6L101 A409 E417 C418 N424 L425L101-A421 HydrophobicContact CD1-CB 4.27Å; A409-A421 HydrophobicContact CB-CB 3.61Å; E417-A421 VanDerWaalsContact O-CB 3.31Å; E417-A421 WeakPolarHBondContact O-CB 3.16Å; E417-A421 PolarHBondContact O-N 3.09Å; C418-A421 PolarHBondContact O-N 3.48Å; A421-N424 CarbonylContact O-C 3.59Å; A421-N424 PolarHBondContact O-N 3.19Å; A421-L425 PolarHBondContact O-N 2.78Å
422L93Very high92.9Very high33 Ų3359.2 Ų59.217%0.17331%0.312CS..Hα-helixtrans-64.7-41.5176.817963.8000111.7M100 L101 I104 W382 C418 Q419 L425M100-L422 HydrophobicContact CB-CD2 3.97Å; M100-L422 HydrophobicContact CG-CD1 3.93Å; M100-L422 HydrophobicContact CG-CD2 3.82Å; L101-L422 HydrophobicContact CD2-CB 4.06Å; L101-L422 HydrophobicContact CD2-CD1 3.98Å; L101-L422 HydrophobicContact CG-CB 4.46Å; I104-L422 HydrophobicContact CD1-CD1 3.89Å; W382-L422 HydrophobicContact CH2-CD1 4.12Å; C418-L422 VanDerWaalsContact O-CB 3.23Å; C418-L422 WeakPolarHBondContact O-CB 3.39Å; C418-L422 PolarHBondContact O-N 3.34Å; Q419-L422 PolarHBondContact O-N 3.37Å; L422-L425 WeakPolarHBondContact O-CB 3.26Å; L422-L425 PolarHBondContact O-N 3.34Å
423H91Very high93Very high140 Ų14056.3 Ų56.365%0.64829%0.292SS*.Hα-helixtrans-61.1-48.2176178.6-88.6000111Q419 D420 L425 K430Q419-H423 WeakPolarHBondContact O-CB 3.3Å; Q419-H423 PolarHBondContact O-N 2.9Å; D420-H423 PolarHBondContact O-N 3.01Å; H423-L425 VanDerWaalsContact C-N 3.25Å; H423-L425 PolarHBondContact O-N 3.46Å; H423-K430 PolarHBondContact O-NZ 2.87Å
424N91.3Very high93.1Very high120 Ų12054.2 Ų54.264%0.64227%0.27SS*.THydrogen-bonded Turntrans-83.24.9-176.5-62.7-33.2000114.1D420 A421 D426D420-N424 VanDerWaalsContact O-CB 3.31Å; D420-N424 WeakPolarHBondContact O-CB 3.19Å; D420-N424 VanDerWaalsContact O-CG 3.24Å; D420-N424 PolarHBondContact O-N 3.12Å; D420-N424 PolarHBondContact O-ND2 3.19Å; A421-N424 CarbonylContact O-C 3.59Å; A421-N424 PolarHBondContact O-N 3.19Å; N424-D426 PolarHBondContact O-N 2.88Å
425L91.1Very high93.2Very high9 Ų954 Ų545%0.04727%0.266CS..  trans-59.8127.9178-168.873.9000110.1I104 W382 Y406 A421 L422 H423 V429 K430I104-L425 HydrophobicContact CD1-CD2 4.25Å; W382-L425 HydrophobicContact CZ3-CD2 4.14Å; Y406-L425 HydrophobicContact CD1-CD1 3.68Å; Y406-L425 HydrophobicContact CE1-CD1 4.39Å; Y406-L425 HydrophobicContact CG-CD1 4.19Å; A421-L425 PolarHBondContact O-N 2.78Å; L422-L425 WeakPolarHBondContact O-CB 3.26Å; L422-L425 PolarHBondContact O-N 3.34Å; H423-L425 VanDerWaalsContact C-N 3.25Å; H423-L425 PolarHBondContact O-N 3.46Å; L425-V429 HydrophobicContact CD1-CB 4.31Å; L425-V429 HydrophobicContact CD1-CG1 3.78Å; L425-V429 HydrophobicContact CD2-CG1 4.03Å; L425-V429 HydrophobicContact CG-CB 4.16Å; L425-V429 HydrophobicContact CG-CG1 3.9Å; L425-K430 HydrophobicContact CB-CG 4.5Å; L425-K430 HydrophobicContact CD2-CG 3.93Å; L425-K430 HydrophobicContact CG-CG 4.3Å; L425-K430 WeakPolarHBondContact O-CE 3.37Å; L425-K430 PolarHBondContact O-NZ 3.37Å
426D90Very high93.3Very high75 Ų7550.6 Ų50.640%0.40125%0.25SC..  trans-57.2147.6-175.9-178.3-95.5000111.9N424 C428 V429 K430N424-D426 PolarHBondContact O-N 2.88Å; D426-C428 VanDerWaalsContact C-N 3.32Å; D426-C428 PolarHBondContact O-N 3.21Å; D426-C428 WeakPolarHBondContact OD1-CA 3.46Å; D426-C428 WeakPolarHBondContact OD1-CB 3.02Å; D426-C428 PolarHBondContact OD1-N 3.14Å; D426-C428 PolarHBondContact OD1-SG 3.43Å; D426-V429 HydrophobicContact CB-CB 4.45Å; D426-V429 HydrophobicContact CB-CG2 4.06Å; D426-V429 PolarHBondContact O-N 2.88Å; D426-K430 PolarHBondContact O-N 3.49Å
427V89.7Confident93.4Very high47 Ų4743.8 Ų43.829%0.28522%0.22SC..Hα-helixtrans-59.6-42.8-179.1162.30000111.8L387 C389 V429 K430 V431L387-V427 HydrophobicContact CB-CG1 3.66Å; C389-V427 HydrophobicContact CB-CG1 4.2Å; V427-V429 VanDerWaalsContact C-N 3.32Å; V427-V429 PolarHBondContact O-N 3.36Å; V427-K430 PolarHBondContact O-N 3.41Å; V427-V431 WeakPolarHBondContact O-CG2 3.48Å; V427-V431 PolarHBondContact O-N 3.45Å
428C88.4Confident93.5Very high16 Ų1639.5 Ų39.511%0.10820%0.2CC..Hα-helixtrans-66.6-36.6-179.3-51.30000110.7C389 D426 V431 R432C389-C428 HydrophobicContact CB-CB 4.13Å; C389-C428 WeakPolarHBondContact CB-SG 3.44Å; C389-C428 WeakPolarHBondContact SG-CB 3.5Å; C389-C428 CovalentContact SG-SG 2.04Å; C389-C428 PolarHBondContact SG-SG 3.01Å; D426-C428 VanDerWaalsContact C-N 3.32Å; D426-C428 PolarHBondContact O-N 3.21Å; D426-C428 WeakPolarHBondContact OD1-CA 3.46Å; D426-C428 WeakPolarHBondContact OD1-CB 3.02Å; D426-C428 PolarHBondContact OD1-N 3.14Å; D426-C428 PolarHBondContact OD1-SG 3.43Å; C428-V431 PolarHBondContact O-N 3Å; C428-R432 WeakPolarHBondContact O-CB 3.41Å; C428-R432 PolarHBondContact O-N 3.44Å
429V90.9Very high93.6Very high11 Ų1140.3 Ų40.37%0.06720%0.203CC..Hα-helixtrans-63.9-47171.7-179.50000111.1D403 L425 D426 V427 V431 R432 I433D403-V429 HydrophobicContact CB-CG2 4.12Å; D403-V429 VanDerWaalsContact CG-CG2 3.41Å; D403-V429 WeakPolarHBondContact OD1-CG2 3.39Å; L425-V429 HydrophobicContact CD1-CB 4.31Å; L425-V429 HydrophobicContact CD1-CG1 3.78Å; L425-V429 HydrophobicContact CD2-CG1 4.03Å; L425-V429 HydrophobicContact CG-CB 4.16Å; L425-V429 HydrophobicContact CG-CG1 3.9Å; D426-V429 HydrophobicContact CB-CB 4.45Å; D426-V429 HydrophobicContact CB-CG2 4.06Å; D426-V429 PolarHBondContact O-N 2.88Å; V427-V429 VanDerWaalsContact C-N 3.32Å; V427-V429 PolarHBondContact O-N 3.36Å; V429-V431 VanDerWaalsContact C-N 3.31Å; V429-V431 PolarHBondContact O-N 2.95Å; V429-R432 WeakPolarHBondContact O-CB 3.14Å; V429-R432 PolarHBondContact O-N 3.48Å; V429-I433 HydrophobicContact CG1-CG1 4.22Å; V429-I433 WeakPolarHBondContact O-CG1 3.27Å; V429-I433 PolarHBondContact O-N 2.99Å
430K93.2Very high93.7Very high42 Ų4235.1 Ų35.118%0.18318%0.179CC..Hα-helixtrans-56.5-45.5176.2-72.4176.6179.8161.50111.9W382 L387 H423 L425 D426 V427 G434W382-K430 HydrophobicContact CB-CB 4.47Å; W382-K430 VanDerWaalsContact CB-O 3.25Å; W382-K430 WeakPolarHBondContact CB-O 3.46Å; W382-K430 HydrophobicContact CD2-CB 4.14Å; W382-K430 HydrophobicContact CD2-CG 4.31Å; W382-K430 HydrophobicContact CE3-CB 3.74Å; W382-K430 HydrophobicContact CE3-CG 3.82Å; W382-K430 HydrophobicContact CH2-CG 4.34Å; W382-K430 HydrophobicContact CZ3-CB 4.25Å; W382-K430 HydrophobicContact CZ3-CG 3.84Å; L387-K430 HydrophobicContact CD1-CB 4.16Å; H423-K430 PolarHBondContact O-NZ 2.87Å; L425-K430 HydrophobicContact CB-CG 4.5Å; L425-K430 HydrophobicContact CD2-CG 3.93Å; L425-K430 HydrophobicContact CG-CG 4.3Å; L425-K430 WeakPolarHBondContact O-CE 3.37Å; L425-K430 PolarHBondContact O-NZ 3.37Å; D426-K430 PolarHBondContact O-N 3.49Å; V427-K430 PolarHBondContact O-N 3.41Å; K430-G434 PolarHBondContact O-N 2.91Å
431V92.8Very high93.9Very high18 Ų1831.2 Ų31.211%0.10916%0.158CC..Hα-helixtrans-62-45.5177.3169.80000111L387 V427 C428 V429 G434 K435L387-V431 HydrophobicContact CB-CG2 4.15Å; V427-V431 WeakPolarHBondContact O-CG2 3.48Å; V427-V431 PolarHBondContact O-N 3.45Å; C428-V431 PolarHBondContact O-N 3Å; V429-V431 VanDerWaalsContact C-N 3.31Å; V429-V431 PolarHBondContact O-N 2.95Å; V431-G434 PolarHBondContact O-N 3.35Å; V431-K435 WeakPolarHBondContact O-CG 3.48Å; V431-K435 PolarHBondContact O-N 3.25Å
432R93Very high94.1Very high38 Ų3830.6 Ų30.614%0.14315%0.153CC..Hα-helixtrans-58.9-50.7177.1177.8178.6165.5120.16.8111.9E108 A395 N396 N397 C428 V429 G434 K435 I436E108-R432 IonicContact OE1-CZ 3.7Å; E108-R432 IonicContact OE1-NE 3.95Å; E108-R432 PolarHBondContact OE1-NE 2.88Å; E108-R432 IonicContact OE2-CZ 2.77Å; E108-R432 IonicContact OE2-NE 3.9Å; E108-R432 PolarHBondContact OE2-NE 3.27Å; E108-R432 IonicContact OE2-NH2 2.97Å; E108-R432 PolarHBondContact OE2-NH2 2.95Å; A395-R432 WeakPolarHBondContact O-CB 3.11Å; N396-R432 PolarHBondContact O-NH1 2.95Å; N397-R432 PolarHBondContact O-NH1 3.2Å; C428-R432 WeakPolarHBondContact O-CB 3.41Å; C428-R432 PolarHBondContact O-N 3.44Å; V429-R432 WeakPolarHBondContact O-CB 3.14Å; V429-R432 PolarHBondContact O-N 3.48Å; R432-G434 VanDerWaalsContact C-N 3.29Å; R432-G434 PolarHBondContact O-N 3.45Å; R432-K435 WeakPolarHBondContact O-CA 3.14Å; R432-K435 WeakPolarHBondContact O-CB 3.42Å; R432-K435 PolarHBondContact O-N 2.91Å; R432-I436 HydrophobicContact CG-CD1 4.08Å; R432-I436 WeakPolarHBondContact O-CG1 3.32Å; R432-I436 PolarHBondContact O-N 3.46Å
433I95.4Very high94.3Very high0 Ų030.9 Ų30.90%015%0.151CC..Hα-helixtrans-57.2-44.3175.2-66.5-58000111.1I104 E108 W382 V429 K435 I436 C437I104-I433 HydrophobicContact CG1-CG2 4.2Å; I104-I433 HydrophobicContact CG2-CD1 3.71Å; I104-I433 HydrophobicContact CG2-CG1 4Å; E108-I433 HydrophobicContact CG-CD1 3.62Å; E108-I433 VanDerWaalsContact OE1-CD1 3.28Å; E108-I433 WeakPolarHBondContact OE1-CD1 3.34Å; W382-I433 HydrophobicContact CE3-CB 4.32Å; W382-I433 HydrophobicContact CE3-CG2 4.18Å; W382-I433 HydrophobicContact CZ3-CG2 4.27Å; V429-I433 HydrophobicContact CG1-CG1 4.22Å; V429-I433 WeakPolarHBondContact O-CG1 3.27Å; V429-I433 PolarHBondContact O-N 2.99Å; I433-K435 VanDerWaalsContact C-N 3.29Å; I433-K435 PolarHBondContact O-N 3.37Å; I433-I436 HydrophobicContact CD1-CD1 4.39Å; I433-I436 PolarHBondContact O-N 2.68Å; I433-C437 PolarHBondContact O-N 3.25Å; I433-C437 PolarHBondContact O-SG 3.27Å; I433-C437 VanDerWaalsContact O-SG 3.33Å
434G95.7Very high94.7Very high0 Ų024.2 Ų24.20%012%0.121CC..Hα-helixtrans-57.9-41.2175.400000112.8L379 K430 V431 R432 K438L379-G434 WeakPolarHBondContact O-CA 3.11Å; K430-G434 PolarHBondContact O-N 2.91Å; V431-G434 PolarHBondContact O-N 3.35Å; R432-G434 VanDerWaalsContact C-N 3.29Å; R432-G434 PolarHBondContact O-N 3.45Å; G434-K438 WeakPolarHBondContact O-CG 3.46Å; G434-K438 PolarHBondContact O-N 3.34Å
435K96.1Very high95Very high66 Ų6618.5 Ų18.529%0.2879%0.09SC..Hα-helixtrans-64.1-48174.9-67.7177.1-178.6178.50110.6I117 N396 V431 R432 I433 C437 K438 R439I117-K435 HydrophobicContact CD1-CB 3.66Å; N396-K435 PolarHBondContact OD1-NZ 2.79Å; N396-K435 VanDerWaalsContact OD1-NZ 3.09Å; V431-K435 WeakPolarHBondContact O-CG 3.48Å; V431-K435 PolarHBondContact O-N 3.25Å; R432-K435 WeakPolarHBondContact O-CA 3.14Å; R432-K435 WeakPolarHBondContact O-CB 3.42Å; R432-K435 PolarHBondContact O-N 2.91Å; I433-K435 VanDerWaalsContact C-N 3.29Å; I433-K435 PolarHBondContact O-N 3.37Å; K435-C437 PolarHBondContact O-N 3.29Å; K435-K438 WeakPolarHBondContact O-CB 3.28Å; K435-K438 PolarHBondContact O-N 2.88Å; K435-K438 VanDerWaalsContact O-N 3.12Å; K435-R439 WeakPolarHBondContact O-CG 3.33Å; K435-R439 PolarHBondContact O-N 3.34Å
436I97.8Very high95.3Very high0 Ų018.1 Ų18.10%09%0.088CC..Hα-helixtrans-56.4-48178.6-69.2169000111S107 E108 N111 L116 I117 R432 I433 K438 R439 L440S107-I436 VanDerWaalsContact O-CG2 3.28Å; S107-I436 WeakPolarHBondContact O-CG2 3.47Å; E108-I436 VanDerWaalsContact CD-CD1 3.42Å; E108-I436 HydrophobicContact CG-CD1 4.25Å; E108-I436 VanDerWaalsContact OE1-CD1 3.24Å; E108-I436 WeakPolarHBondContact OE1-CD1 3.4Å; N111-I436 HydrophobicContact CB-CD1 3.78Å; N111-I436 HydrophobicContact CB-CG1 3.89Å; N111-I436 HydrophobicContact CB-CG2 3.87Å; L116-I436 HydrophobicContact CD1-CG2 4.46Å; I117-I436 HydrophobicContact CD1-CG1 4.29Å; I117-I436 HydrophobicContact CG1-CG1 3.9Å; R432-I436 HydrophobicContact CG-CD1 4.08Å; R432-I436 WeakPolarHBondContact O-CG1 3.32Å; R432-I436 PolarHBondContact O-N 3.46Å; I433-I436 HydrophobicContact CD1-CD1 4.39Å; I433-I436 PolarHBondContact O-N 2.68Å; I436-K438 VanDerWaalsContact C-N 3.29Å; I436-K438 PolarHBondContact O-N 3.37Å; I436-R439 WeakPolarHBondContact O-CB 3.33Å; I436-R439 PolarHBondContact O-N 2.88Å; I436-R439 VanDerWaalsContact O-N 3.07Å; I436-L440 WeakPolarHBondContact O-CB 3.4Å; I436-L440 PolarHBondContact O-N 3.11Å
437C97.8Very high95.7Very high0 Ų015.4 Ų15.40%07%0.073CC..Hα-helixtrans-59.1-39.4178.2-68.40000112.4I376 I433 K435 I441I376-C437 HydrophobicContact CG2-CB 3.81Å; I376-C437 WeakPolarHBondContact O-CB 3.45Å; I433-C437 PolarHBondContact O-N 3.25Å; I433-C437 PolarHBondContact O-SG 3.27Å; I433-C437 VanDerWaalsContact O-SG 3.33Å; K435-C437 PolarHBondContact O-N 3.29Å; C437-I441 WeakPolarHBondContact O-CG1 3.34Å; C437-I441 PolarHBondContact O-N 3.45Å
438K97.1Very high96.1Very high9 Ų914.4 Ų14.44%0.0396%0.064CC..Hα-helixtrans-61.7-47.9172.6-70-177.9163.4-175.80111.7H348 S380 S383 G434 K435 I436 L440 I441 D442 E471H348-K438 HydrophobicContact CB-CG 4.09Å; S380-K438 WeakPolarHBondContact O-CE 3.34Å; S383-K438 WeakPolarHBondContact OG-CD 3.31Å; S383-K438 WeakPolarHBondContact OG-CE 3.35Å; S383-K438 PolarHBondContact OG-NZ 3.16Å; S383-K438 VanDerWaalsContact OG-NZ 3.08Å; G434-K438 WeakPolarHBondContact O-CG 3.46Å; G434-K438 PolarHBondContact O-N 3.34Å; K435-K438 WeakPolarHBondContact O-CB 3.28Å; K435-K438 PolarHBondContact O-N 2.88Å; K435-K438 VanDerWaalsContact O-N 3.12Å; I436-K438 VanDerWaalsContact C-N 3.29Å; I436-K438 PolarHBondContact O-N 3.37Å; K438-L440 VanDerWaalsContact C-N 3.31Å; K438-L440 PolarHBondContact O-N 3.32Å; K438-I441 PolarHBondContact O-N 3.1Å; K438-D442 VanDerWaalsContact O-CG 3.29Å; K438-D442 PolarHBondContact O-N 2.78Å; K438-E471 IonicContact NZ-OE1 3.73Å; K438-E471 PolarHBondContact NZ-OE1 3.14Å; K438-E471 IonicContact NZ-OE2 2.95Å; K438-E471 PolarHBondContact NZ-OE2 3.27Å
439R97.6Very high96.6Very high17 Ų1713.6 Ų13.66%0.0646%0.059CC..Hα-helixtrans-60.3-40.4178.8-61.7-54.877.3157.2-6.3113L116 I117 K435 I436 I441 D442 W443 I473L116-R439 HydrophobicContact CB-CB 3.72Å; L116-R439 HydrophobicContact CB-CG 4.29Å; L116-R439 HydrophobicContact CD1-CB 4.34Å; L116-R439 HydrophobicContact CD2-CB 4.46Å; L116-R439 HydrophobicContact CG-CB 4.39Å; L116-R439 WeakPolarHBondContact O-CG 3.5Å; I117-R439 HydrophobicContact CD1-CG 3.69Å; I117-R439 HydrophobicContact CG1-CG 4.4Å; K435-R439 WeakPolarHBondContact O-CG 3.33Å; K435-R439 PolarHBondContact O-N 3.34Å; I436-R439 WeakPolarHBondContact O-CB 3.33Å; I436-R439 PolarHBondContact O-N 2.88Å; I436-R439 VanDerWaalsContact O-N 3.07Å; R439-I441 VanDerWaalsContact C-N 3.33Å; R439-I441 PolarHBondContact O-N 3.46Å; R439-D442 IonicContact CZ-OD2 3.41Å; R439-D442 IonicContact NE-OD2 2.87Å; R439-D442 IonicContact NH2-OD2 3.41Å; R439-D442 PolarHBondContact NH2-OD2 3.03Å; R439-D442 CarbonylContact O-C 3.59Å; R439-D442 PolarHBondContact O-N 3.48Å; R439-W443 VanDerWaalsContact O-CB 3.25Å; R439-W443 WeakPolarHBondContact O-CB 3.33Å; R439-W443 PolarHBondContact O-N 3.15Å; R439-I473 VanDerWaalsContact NH2-CG2 3.32Å
440L98.1Very high97Very high1 Ų117.1 Ų17.11%0.0057%0.073CC..Hα-helixtrans-62.4-42.3179.4-177.356.3000111.6L110 L116 W361 L362 I368 I376 I436 K438 G444L110-L440 HydrophobicContact CD1-CD1 3.93Å; L110-L440 HydrophobicContact CD1-CD2 3.9Å; L116-L440 HydrophobicContact CD1-CB 4.02Å; L116-L440 HydrophobicContact CD1-CD1 4.16Å; W361-L440 HydrophobicContact CH2-CD1 4.14Å; W361-L440 HydrophobicContact CZ3-CD1 3.97Å; L362-L440 HydrophobicContact CD2-CD1 4.36Å; L362-L440 HydrophobicContact CD2-CG 4.28Å; I368-L440 HydrophobicContact CD1-CD1 4.08Å; I368-L440 HydrophobicContact CD1-CD2 3.68Å; I368-L440 HydrophobicContact CD1-CG 3.97Å; I376-L440 HydrophobicContact CD1-CD2 3.83Å; I376-L440 HydrophobicContact CG2-CD2 4.41Å; I436-L440 WeakPolarHBondContact O-CB 3.4Å; I436-L440 PolarHBondContact O-N 3.11Å; K438-L440 VanDerWaalsContact C-N 3.31Å; K438-L440 PolarHBondContact O-N 3.32Å; L440-G444 PolarHBondContact O-N 3.43Å
441I97.9Very high97.2Very high0 Ų020.7 Ų20.70%09%0.09CC..Hα-helixtrans-64.2-46.7173.7-66.1166.3000110.6H348 F373 I376 C437 K438 R439 W443 G444 R445H348-I441 HydrophobicContact CB-CD1 3.96Å; F373-I441 HydrophobicContact CE2-CG1 3.88Å; F373-I441 HydrophobicContact CZ-CG1 4.25Å; I376-I441 HydrophobicContact CG2-CD1 4.11Å; I376-I441 HydrophobicContact CG2-CG1 4.11Å; C437-I441 WeakPolarHBondContact O-CG1 3.34Å; C437-I441 PolarHBondContact O-N 3.45Å; K438-I441 PolarHBondContact O-N 3.1Å; R439-I441 VanDerWaalsContact C-N 3.33Å; R439-I441 PolarHBondContact O-N 3.46Å; I441-W443 VanDerWaalsContact C-N 3.31Å; I441-W443 PolarHBondContact O-N 3.28Å; I441-G444 PolarHBondContact O-N 3.39Å; I441-R445 PolarHBondContact O-N 3Å; I441-R445 VanDerWaalsContact O-N 3.15Å
442D97.8Very high97.4Very high1 Ų123.7 Ų23.71%0.00510%0.103CC..Hα-helixtrans-65.8-34.1-179.7-66.4-29.3000112.4H348 K438 R439 R445 L446 I475H348-D442 IonicContact CD2-OD1 2.68Å; H348-D442 IonicContact CD2-OD2 3.64Å; H348-D442 IonicContact CE1-OD1 2.73Å; H348-D442 IonicContact CE1-OD2 3.49Å; H348-D442 IonicContact NE2-OD1 3.73Å; H348-D442 PolarHBondContact NE2-OD1 2.93Å; H348-D442 IonicContact NE2-OD2 3.74Å; H348-D442 PolarHBondContact NE2-OD2 3.15Å; K438-D442 VanDerWaalsContact O-CG 3.29Å; K438-D442 PolarHBondContact O-N 2.78Å; R439-D442 IonicContact CZ-OD2 3.41Å; R439-D442 IonicContact NE-OD2 2.87Å; R439-D442 IonicContact NH2-OD2 3.41Å; R439-D442 PolarHBondContact NH2-OD2 3.03Å; R439-D442 CarbonylContact O-C 3.59Å; R439-D442 PolarHBondContact O-N 3.48Å; D442-R445 CarbonylContact O-C 3.55Å; D442-R445 WeakPolarHBondContact O-CA 3.37Å; D442-R445 WeakPolarHBondContact O-CB 3.37Å; D442-R445 PolarHBondContact O-N 3.21Å; D442-R445 VanDerWaalsContact O-N 3.12Å; D442-R445 IonicContact OD1-NH1 3.84Å; D442-R445 PolarHBondContact OD1-NH1 3.43Å; D442-L446 WeakPolarHBondContact O-CG 3.42Å; D442-L446 PolarHBondContact O-N 3.09Å; D442-I475 HydrophobicContact CB-CG2 4.09Å
443W98.1Very high97.6Very high39 Ų3922.7 Ų22.715%0.14810%0.101CC..Hα-helixtrans-64.3-43.6174.7-172.4-99.7000111.3L116 W361 R439 I441 R445 L446 M447L116-W443 HydrophobicContact CD2-CB 3.74Å; L116-W443 HydrophobicContact CD2-CD2 4.14Å; L116-W443 HydrophobicContact CD2-CG 3.81Å; W361-W443 AromaticContact CE2-CD1 3.69Å; W361-W443 AromaticContact CE2-NE1 3.7Å; W361-W443 AromaticContact CH2-CD1 3.24Å; W361-W443 HydrophobicContact CH2-CG 4.36Å; W361-W443 AromaticContact CH2-NE1 3.79Å; W361-W443 AromaticContact CZ2-CD1 3.26Å; W361-W443 AromaticContact CZ2-NE1 3.32Å; W361-W443 VanDerWaalsContact CZ2-NE1 3.32Å; W361-W443 AromaticContact CZ3-CD1 3.62Å; R439-W443 VanDerWaalsContact O-CB 3.25Å; R439-W443 WeakPolarHBondContact O-CB 3.33Å; R439-W443 PolarHBondContact O-N 3.15Å; I441-W443 VanDerWaalsContact C-N 3.31Å; I441-W443 PolarHBondContact O-N 3.28Å; W443-R445 PolarHBondContact O-N 2.83Å; W443-L446 HydrophobicContact CE3-CD1 3.97Å; W443-L446 HydrophobicContact CZ3-CD1 4.21Å; W443-L446 WeakPolarHBondContact O-CB 3.5Å; W443-L446 PolarHBondContact O-N 3.36Å; W443-L446 VanDerWaalsContact O-N 3.1Å; W443-M447 HydrophobicContact CD2-CE 4.19Å; W443-M447 HydrophobicContact CE3-CE 4.43Å; W443-M447 HydrophobicContact CH2-CE 3.85Å; W443-M447 HydrophobicContact CZ2-CE 3.57Å; W443-M447 HydrophobicContact CZ2-SD 4.28Å; W443-M447 HydrophobicContact CZ3-CE 4.21Å; W443-M447 WeakPolarHBondContact O-CG 3.44Å; W443-M447 PolarHBondContact O-N 3.46Å
444G98.1Very high97.7Very high0 Ų028.6 Ų28.60%013%0.132CC..Hα-helixtrans-55.7-40.8170.300000112.4G358 L440 I441 M447 Y448G358-G444 VanDerWaalsContact CA-C 3.41Å; G358-G444 WeakPolarHBondContact CA-O 3.36Å; L440-G444 PolarHBondContact O-N 3.43Å; I441-G444 PolarHBondContact O-N 3.39Å; G444-M447 PolarHBondContact O-N 3.48Å; G444-Y448 PolarHBondContact O-N 3.05Å
445R97.9Very high97.8Very high0 Ų028.6 Ų28.60%013%0.132CC..Hα-helixtrans-65.5-41.4174.8-66.8169.8174158.4-9.2112.3G319 D323 L326 C351 I441 D442 W443 M447 Y448 I449 I475G319-R445 PolarHBondContact O-NH2 2.75Å; D323-R445 IonicContact OD1-CZ 3.58Å; D323-R445 IonicContact OD1-NE 3.91Å; D323-R445 PolarHBondContact OD1-NE 2.9Å; D323-R445 VanDerWaalsContact OD1-NE 3.1Å; D323-R445 IonicContact OD1-NH2 2.81Å; D323-R445 IonicContact OD2-CZ 2.69Å; D323-R445 IonicContact OD2-NE 3.59Å; D323-R445 PolarHBondContact OD2-NE 3.03Å; D323-R445 IonicContact OD2-NH2 3.48Å; D323-R445 PolarHBondContact OD2-NH2 3.49Å; L326-R445 HydrophobicContact CD1-CB 3.94Å; L326-R445 HydrophobicContact CD1-CG 4.07Å; C351-R445 PolarHBondContact SG-NH2 3.15Å; I441-R445 PolarHBondContact O-N 3Å; I441-R445 VanDerWaalsContact O-N 3.15Å; D442-R445 CarbonylContact O-C 3.55Å; D442-R445 WeakPolarHBondContact O-CA 3.37Å; D442-R445 WeakPolarHBondContact O-CB 3.37Å; D442-R445 PolarHBondContact O-N 3.21Å; D442-R445 VanDerWaalsContact O-N 3.12Å; D442-R445 IonicContact OD1-NH1 3.84Å; D442-R445 PolarHBondContact OD1-NH1 3.43Å; W443-R445 PolarHBondContact O-N 2.83Å; R445-M447 VanDerWaalsContact C-N 3.35Å; R445-Y448 WeakPolarHBondContact O-CB 3.23Å; R445-Y448 PolarHBondContact O-N 2.93Å; R445-I449 VanDerWaalsContact O-CG1 3.25Å; R445-I449 WeakPolarHBondContact O-CG1 3.45Å; R445-I449 PolarHBondContact O-N 3.43Å; R445-I475 HydrophobicContact CB-CD1 4.1Å
446L98.4Very high97.9Very high1 Ų128.4 Ų28.41%0.00514%0.138CC..Hα-helixtrans-62.8-41175.6-73.1-179.9000112D442 W443 Y448 I449 K450 I458 S460 I475D442-L446 WeakPolarHBondContact O-CG 3.42Å; D442-L446 PolarHBondContact O-N 3.09Å; W443-L446 HydrophobicContact CE3-CD1 3.97Å; W443-L446 HydrophobicContact CZ3-CD1 4.21Å; W443-L446 WeakPolarHBondContact O-CB 3.5Å; W443-L446 PolarHBondContact O-N 3.36Å; W443-L446 VanDerWaalsContact O-N 3.1Å; L446-Y448 VanDerWaalsContact C-N 3.34Å; L446-I449 HydrophobicContact CD2-CD1 4.35Å; L446-I449 PolarHBondContact O-N 3.1Å; L446-K450 WeakPolarHBondContact O-CB 3.45Å; L446-K450 PolarHBondContact O-N 2.94Å; L446-I458 HydrophobicContact CB-CD1 4.03Å; L446-I458 HydrophobicContact CD2-CB 4.05Å; L446-I458 HydrophobicContact CD2-CG2 4.23Å; L446-S460 WeakPolarHBondContact CD1-OG 3.43Å; L446-I475 HydrophobicContact CD2-CB 3.78Å; L446-I475 HydrophobicContact CD2-CG2 4.07Å; L446-I475 HydrophobicContact CG-CB 4.46Å; L446-I475 HydrophobicContact CG-CG2 4.21Å
447M98.4Very high97.9Very high17 Ų1732.9 Ų32.98%0.08416%0.162CC..Hα-helixtrans-64.2-40.7175-64-60102.900111.4W361 W443 G444 R445 K450 H451 I458W361-M447 HydrophobicContact CB-CB 4.02Å; W361-M447 HydrophobicContact CB-CG 4.45Å; W361-M447 HydrophobicContact CD2-CB 4.43Å; W361-M447 HydrophobicContact CD2-CG 3.93Å; W361-M447 HydrophobicContact CG-CB 3.79Å; W361-M447 HydrophobicContact CG-CG 3.69Å; W443-M447 HydrophobicContact CD2-CE 4.19Å; W443-M447 HydrophobicContact CE3-CE 4.43Å; W443-M447 HydrophobicContact CH2-CE 3.85Å; W443-M447 HydrophobicContact CZ2-CE 3.57Å; W443-M447 HydrophobicContact CZ2-SD 4.28Å; W443-M447 HydrophobicContact CZ3-CE 4.21Å; W443-M447 WeakPolarHBondContact O-CG 3.44Å; W443-M447 PolarHBondContact O-N 3.46Å; G444-M447 PolarHBondContact O-N 3.48Å; R445-M447 VanDerWaalsContact C-N 3.35Å; M447-K450 PolarHBondContact O-N 3.22Å; M447-H451 WeakPolarHBondContact O-CB 3.3Å; M447-H451 PolarHBondContact O-CD2 3.49Å; M447-H451 PolarHBondContact O-N 3.44Å; M447-I458 HydrophobicContact CE-CD1 3.36Å
448Y98.5Very high97.9Very high26 Ų2634.8 Ų34.810%0.10217%0.172CC..Hα-helixtrans-60.2-47.6171.6-177.1-87.1000111.8L326 R327 K330 A357 G444 R445 L446 K450 H451 E452 L453L326-Y448 HydrophobicContact CB-CD1 4.03Å; L326-Y448 HydrophobicContact CB-CE1 3.83Å; L326-Y448 HydrophobicContact CD1-CD1 4.38Å; R327-Y448 VanDerWaalsContact CG-OH 3.28Å; R327-Y448 WeakPolarHBondContact CG-OH 3.27Å; K330-Y448 WeakPolarHBondContact CB-OH 3.07Å; K330-Y448 HydrophobicContact CD-CE2 4.46Å; K330-Y448 WeakPolarHBondContact CD-OH 3.48Å; A357-Y448 HydrophobicContact CB-CD1 3.97Å; A357-Y448 HydrophobicContact CB-CD2 3.94Å; A357-Y448 HydrophobicContact CB-CE1 4.26Å; A357-Y448 HydrophobicContact CB-CE2 4.21Å; A357-Y448 HydrophobicContact CB-CG 3.78Å; A357-Y448 WeakPolarHBondContact O-CD2 3.38Å; G444-Y448 PolarHBondContact O-N 3.05Å; R445-Y448 WeakPolarHBondContact O-CB 3.23Å; R445-Y448 PolarHBondContact O-N 2.93Å; L446-Y448 VanDerWaalsContact C-N 3.34Å; Y448-K450 VanDerWaalsContact C-N 3.34Å; Y448-K450 PolarHBondContact O-N 2.85Å; Y448-H451 PolarHBondContact O-N 2.94Å; Y448-E452 HydrophobicContact CD1-CB 4.23Å; Y448-E452 HydrophobicContact CD2-CB 4.07Å; Y448-E452 HydrophobicContact CD2-CG 3.63Å; Y448-E452 HydrophobicContact CE1-CB 4.11Å; Y448-E452 HydrophobicContact CE2-CB 3.98Å; Y448-E452 HydrophobicContact CE2-CG 3.76Å; Y448-E452 HydrophobicContact CG-CB 4.22Å; Y448-E452 HydrophobicContact CG-CG 4.11Å; Y448-E452 WeakPolarHBondContact O-CA 3.5Å; Y448-E452 WeakPolarHBondContact O-CB 3.49Å; Y448-E452 PolarHBondContact O-N 3.4Å; Y448-L453 HydrophobicContact CE1-CD2 4.46Å; Y448-L453 HydrophobicContact CE1-CG 4.27Å
449I98.5Very high98Very high0 Ų035.5 Ų35.50%018%0.177CC..Hα-helixtrans-59.9-46.4178.5-68.8160.8000110.9L326 I341 R445 L446 H451 L453 N454 L455 I458 I475 A477L326-I449 HydrophobicContact CD1-CD1 4.34Å; L326-I449 HydrophobicContact CD1-CG1 4.23Å; L326-I449 HydrophobicContact CD2-CD1 3.87Å; L326-I449 HydrophobicContact CD2-CG1 3.66Å; I341-I449 HydrophobicContact CD1-CG1 4.22Å; I341-I449 HydrophobicContact CD1-CG2 4.09Å; R445-I449 VanDerWaalsContact O-CG1 3.25Å; R445-I449 WeakPolarHBondContact O-CG1 3.45Å; R445-I449 PolarHBondContact O-N 3.43Å; L446-I449 HydrophobicContact CD2-CD1 4.35Å; L446-I449 PolarHBondContact O-N 3.1Å; I449-H451 PolarHBondContact O-N 2.98Å; I449-L453 HydrophobicContact CG1-CD1 4.14Å; I449-L453 CarbonylContact O-C 3.6Å; I449-L453 WeakPolarHBondContact O-CA 3.44Å; I449-L453 VanDerWaalsContact O-CB 3.31Å; I449-L453 WeakPolarHBondContact O-CB 3.47Å; I449-L453 PolarHBondContact O-N 2.89Å; I449-N454 PolarHBondContact O-N 2.86Å; I449-L455 HydrophobicContact CG2-CB 3.91Å; I449-L455 HydrophobicContact CG2-CD1 4.1Å; I449-L455 HydrophobicContact CG2-CG 4.5Å; I449-L455 PolarHBondContact O-N 2.91Å; I449-I458 HydrophobicContact CG2-CG2 4.42Å; I449-I475 HydrophobicContact CD1-CD1 3.89Å; I449-A477 HydrophobicContact CG2-CB 3.31Å
450K98.1Very high98Very high84 Ų8435 Ų3537%0.36518%0.177SC..Hα-helixtrans-59.9-48.1-179.4-177.4171.4-176176.80112.3L446 M447 Y448 L455 I458L446-K450 WeakPolarHBondContact O-CB 3.45Å; L446-K450 PolarHBondContact O-N 2.94Å; M447-K450 PolarHBondContact O-N 3.22Å; Y448-K450 VanDerWaalsContact C-N 3.34Å; Y448-K450 PolarHBondContact O-N 2.85Å; K450-L455 WeakPolarHBondContact CA-O 3.38Å; K450-I458 HydrophobicContact CB-CD1 4.47Å; K450-I458 HydrophobicContact CB-CG2 4.09Å; K450-I458 HydrophobicContact CD-CD1 4.03Å; K450-I458 HydrophobicContact CD-CG1 4.46Å
451H97.2Very high98Very high117 Ų11735 Ų3554%0.54218%0.177SC..Hα-helixtrans-94.2-33.7-170.3-67-64.5000114.2M447 Y448 I449M447-H451 WeakPolarHBondContact O-CB 3.3Å; M447-H451 PolarHBondContact O-CD2 3.49Å; M447-H451 PolarHBondContact O-N 3.44Å; Y448-H451 PolarHBondContact O-N 2.94Å; I449-H451 PolarHBondContact O-N 2.98Å
452E97.3Very high98Very high81 Ų8135.4 Ų35.438%0.37918%0.18SC..Hα-helixtrans-100.4-24.9-174.1-56.5-69.2164.800112.9K330 Y448K330-E452 HydrophobicContact CD-CB 4.14Å; K330-E452 VanDerWaalsContact CE-OE2 3.3Å; K330-E452 WeakPolarHBondContact CE-OE2 3.5Å; K330-E452 IonicContact NZ-OE2 3.15Å; K330-E452 PolarHBondContact NZ-OE2 3.11Å; Y448-E452 HydrophobicContact CD1-CB 4.23Å; Y448-E452 HydrophobicContact CD2-CB 4.07Å; Y448-E452 HydrophobicContact CD2-CG 3.63Å; Y448-E452 HydrophobicContact CE1-CB 4.11Å; Y448-E452 HydrophobicContact CE2-CB 3.98Å; Y448-E452 HydrophobicContact CE2-CG 3.76Å; Y448-E452 HydrophobicContact CG-CB 4.22Å; Y448-E452 HydrophobicContact CG-CG 4.11Å; Y448-E452 WeakPolarHBondContact O-CA 3.5Å; Y448-E452 WeakPolarHBondContact O-CB 3.49Å; Y448-E452 PolarHBondContact O-N 3.4Å
453L97.9Very high97.9Very high17 Ų1735.4 Ų35.49%0.08918%0.18CC..SBendtrans-105.3-1.2175.6-56-178.4000113.1L326 L329 K330 L338 I341 Y448 I449 L455L326-L453 HydrophobicContact CD2-CD1 4.1Å; L329-L453 HydrophobicContact CB-CD1 4.27Å; L329-L453 HydrophobicContact CB-CD2 4.17Å; L329-L453 HydrophobicContact CD1-CD1 4.37Å; K330-L453 VanDerWaalsContact CA-CD2 3.42Å; K330-L453 HydrophobicContact CB-CD2 3.61Å; K330-L453 HydrophobicContact CG-CD2 4.35Å; L338-L453 HydrophobicContact CD2-CB 4.13Å; L338-L453 HydrophobicContact CD2-CD1 4.27Å; L338-L453 HydrophobicContact CD2-CD2 4.43Å; I341-L453 HydrophobicContact CD1-CD1 3.55Å; Y448-L453 HydrophobicContact CE1-CD2 4.46Å; Y448-L453 HydrophobicContact CE1-CG 4.27Å; I449-L453 HydrophobicContact CG1-CD1 4.14Å; I449-L453 CarbonylContact O-C 3.6Å; I449-L453 WeakPolarHBondContact O-CA 3.44Å; I449-L453 VanDerWaalsContact O-CB 3.31Å; I449-L453 WeakPolarHBondContact O-CB 3.47Å; I449-L453 PolarHBondContact O-N 2.89Å; L453-L455 VanDerWaalsContact C-N 3.29Å; L453-L455 PolarHBondContact O-N 3.37Å
454N97.3Very high97.8Very high124 Ų12433.5 Ų33.566%0.66317%0.173SC*.  trans54.539.9178.9-57.9-55.1000113.7I449 P456I449-N454 PolarHBondContact O-N 2.86Å; N454-P456 WeakPolarHBondContact O-CD 3.4Å
455L98.1Very high97.5Very high1 Ų135 Ų351%0.00518%0.182CC..  trans-11091.1173.1-62.1178.3000109L338 I341 I449 K450 L453 N457 A477 S478 R479L338-L455 HydrophobicContact CD2-CD1 4.12Å; L338-L455 HydrophobicContact CG-CD1 4.15Å; I341-L455 HydrophobicContact CB-CD1 4.47Å; I341-L455 HydrophobicContact CD1-CD1 3.7Å; I341-L455 HydrophobicContact CG1-CD1 3.65Å; I449-L455 HydrophobicContact CG2-CB 3.91Å; I449-L455 HydrophobicContact CG2-CD1 4.1Å; I449-L455 HydrophobicContact CG2-CG 4.5Å; I449-L455 PolarHBondContact O-N 2.91Å; K450-L455 WeakPolarHBondContact CA-O 3.38Å; L453-L455 VanDerWaalsContact C-N 3.29Å; L453-L455 PolarHBondContact O-N 3.37Å; L455-N457 PolarHBondContact O-N 2.84Å; L455-A477 HydrophobicContact CB-CB 3.8Å; L455-A477 HydrophobicContact CD1-CB 4.02Å; L455-S478 CarbonylContact C-O 2.87Å; L455-S478 VanDerWaalsContact C-O 3.3Å; L455-S478 WeakPolarHBondContact CA-O 3.3Å; L455-R479 HydrophobicContact CD2-CG 3.78Å
456P97.8Very high97.1Very high62 Ų6238.4 Ų38.440%0.40321%0.206SC..  trans-71.4-29.5-169.128.9-36.4000114N454 I458 S478 R479N454-P456 WeakPolarHBondContact O-CD 3.4Å; P456-I458 VanDerWaalsContact C-N 3.33Å; P456-I458 PolarHBondContact O-N 3.43Å; P456-S478 WeakPolarHBondContact CD-O 3.25Å; P456-R479 VanDerWaalsContact CG-OXT 3.25Å; P456-R479 WeakPolarHBondContact CG-OXT 3.45Å
457N98.2Very high96.6Very high94 Ų9444 Ų4450%0.50324%0.236SC..EExtended strand (participates in β ladder)trans-84.777.9-175.2-70.5-34.7000109.9L455 A477 S478 R479L455-N457 PolarHBondContact O-N 2.84Å; N457-A477 CarbonylContact O-C 3.53Å; N457-A477 WeakPolarHBondContact O-CA 3.3Å; N457-S478 WeakPolarHBondContact CB-OG 3.4Å; N457-S478 PolarHBondContact N-O 2.99Å; N457-S478 VanDerWaalsContact N-O 3.16Å; N457-S478 PolarHBondContact O-N 3.47Å; N457-R479 VanDerWaalsContact ND2-C 3.3Å; N457-R479 PolarHBondContact ND2-O 3.19Å; N457-R479 PolarHBondContact ND2-OXT 3.3Å
458I98.2Very high96.1Very high40 Ų4043.4 Ų43.421%0.20523%0.233CC..EExtended strand (participates in β ladder)trans-91.4141.8-179.854165.2000112.1L446 M447 I449 K450 P456 C476 A477L446-I458 HydrophobicContact CB-CD1 4.03Å; L446-I458 HydrophobicContact CD2-CB 4.05Å; L446-I458 HydrophobicContact CD2-CG2 4.23Å; M447-I458 HydrophobicContact CE-CD1 3.36Å; I449-I458 HydrophobicContact CG2-CG2 4.42Å; K450-I458 HydrophobicContact CB-CD1 4.47Å; K450-I458 HydrophobicContact CB-CG2 4.09Å; K450-I458 HydrophobicContact CD-CD1 4.03Å; K450-I458 HydrophobicContact CD-CG1 4.46Å; P456-I458 VanDerWaalsContact C-N 3.33Å; P456-I458 PolarHBondContact O-N 3.43Å; I458-C476 WeakPolarHBondContact CA-O 3.25Å; I458-A477 HydrophobicContact CG2-CB 4.03Å
459S97.6Very high95.6Very high23 Ų2342.9 Ų42.916%0.16123%0.233CC..EExtended strand (participates in β ladder)trans-148153.1173.169.30000111.3E210 C476E210-S459 PolarHBondContact OE2-OG 3.23Å; S459-C476 PolarHBondContact N-O 3.47Å; S459-C476 PolarHBondContact O-N 3Å; S459-C476 WeakPolarHBondContact OG-CB 3.41Å
460S98Very high95.2Very high7 Ų746.2 Ų46.25%0.04925%0.254CS..EExtended strand (participates in β ladder)trans-113.6130.6166.3-74.10000108.6I120 K121 L446 V474I120-S460 WeakPolarHBondContact CA-O 3.41Å; K121-S460 PolarHBondContact N-O 2.83Å; L446-S460 WeakPolarHBondContact CD1-OG 3.43Å; S460-V474 WeakPolarHBondContact CA-O 3.31Å
461V98.1Very high94.8Very high0 Ų043.6 Ų43.60%024%0.243CC..EExtended strand (participates in β ladder)trans-127.7129.6-169.9-176.10000110K121 L123 V206 Y463 I473 V474K121-V461 HydrophobicContact CB-CG2 4.27Å; K121-V461 HydrophobicContact CD-CG2 4.38Å; K121-V461 CarbonylContact O-C 3.26Å; K121-V461 WeakPolarHBondContact O-CA 3.21Å; L123-V461 HydrophobicContact CB-CG1 3.76Å; L123-V461 HydrophobicContact CD1-CG1 3.81Å; L123-V461 HydrophobicContact CG-CG1 3.84Å; V206-V461 HydrophobicContact CG1-CB 4.41Å; V206-V461 HydrophobicContact CG1-CG1 4.25Å; V206-V461 HydrophobicContact CG1-CG2 4.44Å; V206-V461 HydrophobicContact CG2-CG1 3.92Å; V461-Y463 PolarHBondContact O-N 2.77Å; V461-I473 CarbonylContact O-C 3.47Å; V461-I473 WeakPolarHBondContact O-CA 3.39Å; V461-V474 PolarHBondContact N-O 2.85Å; V461-V474 PolarHBondContact O-N 3.03Å
462A97.8Very high94.7Very high10 Ų1039.2 Ų39.28%0.08322%0.224CC..EExtended strand (participates in β ladder)trans-78.6110.4162.700000108.4I120 K121 L123 S124 N472 I473I120-A462 HydrophobicContact CG2-CB 3.91Å; K121-A462 PolarHBondContact O-N 3.15Å; L123-A462 CarbonylContact C-O 3.45Å; L123-A462 VanDerWaalsContact CA-O 3.24Å; L123-A462 WeakPolarHBondContact CA-O 3.43Å; L123-A462 PolarHBondContact N-O 2.5Å; S124-A462 PolarHBondContact N-O 3.31Å; A462-N472 CarbonylContact C-O 3.54Å; A462-N472 WeakPolarHBondContact CA-O 3.29Å; A462-I473 HydrophobicContact CB-CD1 3.98Å
463Y97.2Very high94.7Very high0 Ų036.2 Ų36.20%021%0.211CC..  trans-88.6-19.4-173.374-88.7000113.3L123 Q199 C202 L203 R205 A344 V461 T469 E471 N472 V474L123-Y463 CarbonylContact O-C 3.52Å; L123-Y463 VanDerWaalsContact O-O 3.09Å; Q199-Y463 HydrophobicContact CB-CE2 4.21Å; Q199-Y463 HydrophobicContact CG-CE2 4.24Å; C202-Y463 HydrophobicContact CB-CD2 3.64Å; C202-Y463 HydrophobicContact CB-CE2 4.35Å; C202-Y463 VanDerWaalsContact CB-O 3.28Å; C202-Y463 WeakPolarHBondContact CB-O 3.4Å; L203-Y463 HydrophobicContact CD2-CD1 3.98Å; L203-Y463 HydrophobicContact CD2-CD2 3.72Å; L203-Y463 HydrophobicContact CD2-CE1 4.25Å; L203-Y463 HydrophobicContact CD2-CE2 4.03Å; L203-Y463 HydrophobicContact CD2-CG 3.71Å; L203-Y463 HydrophobicContact CG-CD2 3.94Å; L203-Y463 HydrophobicContact CG-CE2 4.07Å; L203-Y463 HydrophobicContact CG-CG 4.43Å; R205-Y463 PolarHBondContact NH2-O 2.77Å; R205-Y463 VanDerWaalsContact NH2-O 3.09Å; A344-Y463 HydrophobicContact CB-CE1 4.42Å; V461-Y463 PolarHBondContact O-N 2.77Å; Y463-T469 WeakPolarHBondContact OH-CG2 3.37Å; Y463-E471 PolarHBondContact OH-O 3.29Å; Y463-N472 WeakPolarHBondContact CD1-O 3.47Å; Y463-N472 HydrophobicContact CE1-CB 4.41Å; Y463-N472 WeakPolarHBondContact CE1-O 3.4Å; Y463-N472 PolarHBondContact N-O 2.82Å; Y463-V474 HydrophobicContact CD1-CG2 3.56Å; Y463-V474 HydrophobicContact CE1-CG2 4.24Å; Y463-V474 HydrophobicContact CG-CG2 4.06Å
464T94.9Very high94.7Very high0 Ų035.4 Ų35.40%021%0.206CC..SBendtrans-153.2172.3179.2-168.10000110.4S124 Y198 V468 T469 N472S124-T464 VanDerWaalsContact CB-C 3.48Å; S124-T464 WeakPolarHBondContact CB-O 3.42Å; Y198-T464 WeakPolarHBondContact CE1-OG1 3.24Å; T464-V468 HydrophobicContact CG2-CB 4.17Å; T464-V468 HydrophobicContact CG2-CG1 4.15Å; T464-T469 HydrophobicContact CG2-CG2 3.57Å; T464-N472 HydrophobicContact CG2-CB 3.77Å; T464-N472 VanDerWaalsContact O-CB 3.29Å; T464-N472 WeakPolarHBondContact O-CB 3.49Å; T464-N472 PolarHBondContact O-ND2 2.69Å
465T92.5Very high94.7Very high30 Ų3029.5 Ų29.518%0.18418%0.175CC..  trans-73.3154.6178.2680000111.3V125 D467 V468 T469V125-T465 HydrophobicContact CG2-CG2 4.39Å; T465-D467 PolarHBondContact O-N 3.1Å; T465-V468 PolarHBondContact O-N 2.6Å; T465-T469 PolarHBondContact O-N 2.81Å
466S89.7Confident94.7Very high72 Ų7229.5 Ų29.550%0.50318%0.175SC..THydrogen-bonded Turntrans-63.4-21.7177.648.80000113.5V468 T469S466-V468 VanDerWaalsContact C-N 3.34Å; S466-T469 WeakPolarHBondContact CA-O 3.37Å; S466-T469 CarbonylContact O-C 3.59Å
467D86.5Confident94.8Very high119 Ų11926.7 Ų26.764%0.63616%0.156SC*.THydrogen-bonded Turntrans-70.2-31.8177.6-55.9-50.7000112.3T465T465-D467 PolarHBondContact O-N 3.1Å
468V88.7Confident94.8Very high5 Ų523.6 Ų23.63%0.0314%0.142CC..THydrogen-bonded Turntrans-74.7-46.1175.4174.20000110R195 Y198 Q199 T464 T465 S466R195-V468 HydrophobicContact CG-CG1 4.25Å; Y198-V468 HydrophobicContact CD1-CG1 3.9Å; Y198-V468 HydrophobicContact CD1-CG2 4.39Å; Y198-V468 HydrophobicContact CE1-CB 4.48Å; Y198-V468 HydrophobicContact CE1-CG1 4.02Å; Y198-V468 HydrophobicContact CE1-CG2 3.83Å; Q199-V468 HydrophobicContact CG-CG1 4.09Å; T464-V468 HydrophobicContact CG2-CB 4.17Å; T464-V468 HydrophobicContact CG2-CG1 4.15Å; T465-V468 PolarHBondContact O-N 2.6Å; S466-V468 VanDerWaalsContact C-N 3.34Å
469T89Confident94.6Very high15 Ų1529.7 Ų29.79%0.09216%0.163CC..  trans-157.8134.6172.7173.40000109.8Q199 Y463 T464 T465 S466 E471 N472Q199-T469 VanDerWaalsContact NE2-CG2 3.29Å; Y463-T469 WeakPolarHBondContact OH-CG2 3.37Å; T464-T469 HydrophobicContact CG2-CG2 3.57Å; T465-T469 PolarHBondContact O-N 2.81Å; S466-T469 WeakPolarHBondContact CA-O 3.37Å; S466-T469 CarbonylContact O-C 3.59Å; T469-E471 WeakPolarHBondContact CG2-O 3.34Å; T469-E471 PolarHBondContact O-N 3.5Å; T469-E471 PolarHBondContact OG1-N 3.26Å; T469-E471 VanDerWaalsContact OG1-N 3.14Å; T469-E471 PolarHBondContact OG1-O 3.19Å; T469-N472 HydrophobicContact CG2-CB 4.16Å; T469-N472 VanDerWaalsContact O-CB 3.29Å; T469-N472 WeakPolarHBondContact O-CB 3.15Å
470P89.2Confident94.4Very high69 Ų6930.1 Ų30.145%0.44816%0.163SC..SBendtrans-73.6-13.9173.333.7-38000112.1V384 N472V384-P470 HydrophobicContact CB-CG 4.34Å; V384-P470 HydrophobicContact CG1-CB 3.96Å; V384-P470 HydrophobicContact CG1-CG 3.9Å; P470-N472 VanDerWaalsContact C-N 3.32Å; P470-N472 PolarHBondContact O-N 3.3Å
471E90.7Very high94.2Very high29 Ų2931.3 Ų31.314%0.13617%0.169CC..  trans-92.364.2168.1-56.1-68.6-176.900109.2C346 K438 Y463 T469C346-E471 HydrophobicContact CB-CB 4Å; C346-E471 HydrophobicContact CB-CG 3.89Å; K438-E471 IonicContact NZ-OE1 3.73Å; K438-E471 PolarHBondContact NZ-OE1 3.14Å; K438-E471 IonicContact NZ-OE2 2.95Å; K438-E471 PolarHBondContact NZ-OE2 3.27Å; Y463-E471 PolarHBondContact OH-O 3.29Å; T469-E471 WeakPolarHBondContact CG2-O 3.34Å; T469-E471 PolarHBondContact O-N 3.5Å; T469-E471 PolarHBondContact OG1-N 3.26Å; T469-E471 VanDerWaalsContact OG1-N 3.14Å; T469-E471 PolarHBondContact OG1-O 3.19Å
472N94.9Very high94Very high26 Ų2633 Ų3314%0.13918%0.178CC..  trans-100.821.1-173.364-27.6000114A462 Y463 T464 T469 P470A462-N472 CarbonylContact C-O 3.54Å; A462-N472 WeakPolarHBondContact CA-O 3.29Å; Y463-N472 WeakPolarHBondContact CD1-O 3.47Å; Y463-N472 HydrophobicContact CE1-CB 4.41Å; Y463-N472 WeakPolarHBondContact CE1-O 3.4Å; Y463-N472 PolarHBondContact N-O 2.82Å; T464-N472 HydrophobicContact CG2-CB 3.77Å; T464-N472 VanDerWaalsContact O-CB 3.29Å; T464-N472 WeakPolarHBondContact O-CB 3.49Å; T464-N472 PolarHBondContact O-ND2 2.69Å; T469-N472 HydrophobicContact CG2-CB 4.16Å; T469-N472 VanDerWaalsContact O-CB 3.29Å; T469-N472 WeakPolarHBondContact O-CB 3.15Å; P470-N472 VanDerWaalsContact C-N 3.32Å; P470-N472 PolarHBondContact O-N 3.3Å
473I96.7Very high93.8Very high18 Ų1834.4 Ų34.49%0.09218%0.184CC..EExtended strand (participates in β ladder)trans-113.1139-173.4-53.7-72.4000110.4I120 V345 R439 V461 A462I120-I473 HydrophobicContact CG2-CD1 3.96Å; V345-I473 PolarHBondContact N-O 3.11Å; R439-I473 VanDerWaalsContact NH2-CG2 3.32Å; V461-I473 CarbonylContact O-C 3.47Å; V461-I473 WeakPolarHBondContact O-CA 3.39Å; A462-I473 HydrophobicContact CB-CD1 3.98Å
474V97.9Very high93.6Very high0 Ų036.5 Ų36.50%020%0.196CC..EExtended strand (participates in β ladder)trans-116.9139.7169.4172.10000109.7L203 V206 M342 F343 A344 S460 V461 Y463 C476L203-V474 HydrophobicContact CD2-CG2 3.3Å; V206-V474 HydrophobicContact CG1-CG1 4.38Å; M342-V474 HydrophobicContact CB-CG1 4.49Å; M342-V474 HydrophobicContact CG-CG1 3.41Å; M342-V474 VanDerWaalsContact CG-CG1 3.41Å; M342-V474 HydrophobicContact SD-CG1 4.31Å; F343-V474 CarbonylContact O-C 3.57Å; F343-V474 VanDerWaalsContact O-CA 3.3Å; F343-V474 WeakPolarHBondContact O-CA 3.49Å; A344-V474 HydrophobicContact CB-CG2 3.74Å; S460-V474 WeakPolarHBondContact CA-O 3.31Å; V461-V474 PolarHBondContact N-O 2.85Å; V461-V474 PolarHBondContact O-N 3.03Å; Y463-V474 HydrophobicContact CD1-CG2 3.56Å; Y463-V474 HydrophobicContact CE1-CG2 4.24Å; Y463-V474 HydrophobicContact CG-CG2 4.06Å; V474-C476 WeakPolarHBondContact CG1-SG 3.31Å
475I97.8Very high93.5Very high0 Ų038.9 Ų38.90%021%0.209CC..EExtended strand (participates in β ladder)trans-94.7129.2160.361.4179.6000108.6F343 V345 D442 R445 L446 I449F343-I475 HydrophobicContact CB-CD1 4.29Å; F343-I475 HydrophobicContact CB-CG1 3.8Å; F343-I475 PolarHBondContact N-O 2.97Å; F343-I475 PolarHBondContact O-N 3.15Å; V345-I475 HydrophobicContact CG1-CD1 3.9Å; V345-I475 HydrophobicContact CG1-CG1 3.99Å; D442-I475 HydrophobicContact CB-CG2 4.09Å; R445-I475 HydrophobicContact CB-CD1 4.1Å; L446-I475 HydrophobicContact CD2-CB 3.78Å; L446-I475 HydrophobicContact CD2-CG2 4.07Å; L446-I475 HydrophobicContact CG-CB 4.46Å; L446-I475 HydrophobicContact CG-CG2 4.21Å; I449-I475 HydrophobicContact CD1-CD1 3.89Å
476C98.5Very high93.6Very high1 Ų139.6 Ų39.61%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-117.9148.4177.2-69.30000109.8V206 E210 I341 I458 S459 V474V206-C476 VanDerWaalsContact CG1-SG 3.59Å; E210-C476 HydrophobicContact CG-CB 4.2Å; I341-C476 CarbonylContact O-C 3.3Å; I341-C476 VanDerWaalsContact O-CA 3.25Å; I341-C476 WeakPolarHBondContact O-CA 3.4Å; I458-C476 WeakPolarHBondContact CA-O 3.25Å; S459-C476 PolarHBondContact N-O 3.47Å; S459-C476 PolarHBondContact O-N 3Å; S459-C476 WeakPolarHBondContact OG-CB 3.41Å; V474-C476 WeakPolarHBondContact CG1-SG 3.31Å
477A98.6Very high93.9Very high2 Ų237.1 Ų37.12%0.01719%0.188CC..EExtended strand (participates in β ladder)trans-150.1145.3168.400000110.8G340 I341 I449 L455 N457 I458G340-A477 CarbonylContact C-O 3.12Å; G340-A477 WeakPolarHBondContact CA-O 3.16Å; I341-A477 HydrophobicContact CB-CB 4.46Å; I341-A477 PolarHBondContact N-O 2.83Å; I341-A477 PolarHBondContact O-N 3.38Å; I449-A477 HydrophobicContact CG2-CB 3.31Å; L455-A477 HydrophobicContact CB-CB 3.8Å; L455-A477 HydrophobicContact CD1-CB 4.02Å; N457-A477 CarbonylContact O-C 3.53Å; N457-A477 WeakPolarHBondContact O-CA 3.3Å; I458-A477 HydrophobicContact CG2-CB 4.03Å
478S98.1Very high94.5Very high30 Ų3030.3 Ų30.321%0.2115%0.15CC..EExtended strand (participates in β ladder)trans-137.3170.2170.173.70000111S339 L455 P456 N457S339-S478 WeakPolarHBondContact O-CA 3.42Å; L455-S478 CarbonylContact C-O 2.87Å; L455-S478 VanDerWaalsContact C-O 3.3Å; L455-S478 WeakPolarHBondContact CA-O 3.3Å; P456-S478 WeakPolarHBondContact CD-O 3.25Å; N457-S478 WeakPolarHBondContact CB-OG 3.4Å; N457-S478 PolarHBondContact N-O 2.99Å; N457-S478 VanDerWaalsContact N-O 3.16Å; N457-S478 PolarHBondContact O-N 3.47Å
479R93.6Very high95Very high168 Ų16832.5 Ų32.563%0.63416%0.161SC*.  trans-59.30164.4-72.3-176.1179.4-139.2-1.7111.7N337 L338 S339 L455 P456 N457N337-R479 VanDerWaalsContact OD1-CZ 3.31Å; N337-R479 PolarHBondContact OD1-NH2 3.49Å; L338-R479 PolarHBondContact O-NE 3.21Å; L338-R479 PolarHBondContact O-NH2 3.09Å; S339-R479 PolarHBondContact O-N 3.4Å; L455-R479 HydrophobicContact CD2-CG 3.78Å; P456-R479 VanDerWaalsContact CG-OXT 3.25Å; P456-R479 WeakPolarHBondContact CG-OXT 3.45Å; N457-R479 VanDerWaalsContact ND2-C 3.3Å; N457-R479 PolarHBondContact ND2-O 3.19Å; N457-R479 PolarHBondContact ND2-OXT 3.3Å

Retrieved 479 of 479 residues in 495.4 ms (Link to these results)

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