A0A077Z3Q4_TRITR Loading...

V-type proton ATPase subunit C

Subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment. Subunit C is necessary for the assembly of the catalytic sector of the enzyme and is likely to have a specific function in its catalytic activity. Has roles in embryogenesis and ovulation.

AlphaFold DB , UniProt , Accession A0A077Z3Q4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 393 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
1M46.5Very low86.2Confident217 Ų21728.8 Ų28.8100%1.06915%0.147SC*.  0148.20-76.5172.7172.700107.4G3M1-G3 PolarHBondContact O-N 3.32Å
2N65.5Low86.6Confident41 Ų4126.8 Ų26.822%0.21914%0.139CC..  trans-70.9110.4178.1-163.318.3000107.7E4 Q325 P326N2-E4 PolarHBondContact O-N 3.18Å; N2-E4 VanDerWaalsContact O-N 3.15Å; N2-Q325 PolarHBondContact O-NE2 3.42Å; N2-P326 PolarHBondContact ND2-O 3.23Å
3G80.7Confident86.1Confident3 Ų331.9 Ų31.93%0.03116%0.162CC..  trans-74.29178.900000113.7M1 N382 T383 D384M1-G3 PolarHBondContact O-N 3.32Å; G3-N382 CarbonylContact O-C 3.53Å; G3-N382 WeakPolarHBondContact O-CA 3.48Å; G3-T383 WeakPolarHBondContact CA-OG1 3.49Å; G3-T383 PolarHBondContact O-N 3.49Å; G3-T383 PolarHBondContact O-OG1 3.31Å; G3-D384 PolarHBondContact N-OD2 3.46Å
4E89.8Confident85.8Confident25 Ų2541.3 Ų41.312%0.11720%0.201CC..EExtended strand (participates in β ladder)trans-91.8120179179.7165.6-177.100111.2N2 W6 P326 K380N2-E4 PolarHBondContact O-N 3.18Å; N2-E4 VanDerWaalsContact O-N 3.15Å; E4-W6 PolarHBondContact OE1-NE1 3.36Å; E4-P326 WeakPolarHBondContact O-CD 3.08Å; E4-K380 HydrophobicContact CG-CD 4.48Å; E4-K380 WeakPolarHBondContact OE1-CE 3.08Å; E4-K380 IonicContact OE1-NZ 3.98Å; E4-K380 PolarHBondContact OE1-NZ 2.72Å; E4-K380 IonicContact OE2-NZ 3.75Å; E4-K380 PolarHBondContact OE2-NZ 3.47Å
5Y93.3Very high86.1Confident6 Ų642.7 Ų42.72%0.02421%0.213CC..EExtended strand (participates in β ladder)trans-121.9146.1171.3-57.6-98.3000110.2A116 T120 L323 L324 Q325 I381 T383Y5-A116 WeakPolarHBondContact OH-CB 3.5Å; Y5-T120 HydrophobicContact CE1-CG2 3.81Å; Y5-L323 HydrophobicContact CD1-CD2 3.72Å; Y5-L323 HydrophobicContact CD1-CG 4.09Å; Y5-L323 HydrophobicContact CE1-CD2 4.36Å; Y5-L323 HydrophobicContact CG-CD1 4.49Å; Y5-L323 HydrophobicContact CG-CD2 4.36Å; Y5-L324 CarbonylContact C-O 3.58Å; Y5-L324 WeakPolarHBondContact CA-O 3.45Å; Y5-Q325 HydrophobicContact CD1-CB 3.81Å; Y5-Q325 HydrophobicContact CD1-CG 4.02Å; Y5-Q325 HydrophobicContact CE1-CB 3.89Å; Y5-Q325 HydrophobicContact CE1-CG 3.81Å; Y5-Q325 PolarHBondContact OH-NE2 3.15Å; Y5-I381 PolarHBondContact N-O 3.02Å; Y5-I381 PolarHBondContact O-N 3.14Å; Y5-T383 HydrophobicContact CD2-CG2 3.86Å; Y5-T383 HydrophobicContact CE2-CG2 3.73Å
6W94.8Very high86.5Confident0 Ų042.3 Ų42.30%022%0.215CC..EExtended strand (participates in β ladder)trans-114.9113.7178.4-61.3-12.2000109E4 I8 L323 L324 P326 T332 L335 K336 L339 F378E4-W6 PolarHBondContact OE1-NE1 3.36Å; W6-I8 HydrophobicContact CB-CG2 4.37Å; W6-L323 CarbonylContact O-C 3.59Å; W6-L323 WeakPolarHBondContact O-CA 3.43Å; W6-L324 HydrophobicContact CB-CB 4.32Å; W6-L324 PolarHBondContact N-O 3.2Å; W6-L324 PolarHBondContact O-N 3.08Å; W6-P326 HydrophobicContact CD2-CG 3.88Å; W6-P326 HydrophobicContact CE3-CG 4.18Å; W6-P326 HydrophobicContact CG-CG 4.49Å; W6-P326 HydrophobicContact CH2-CG 4.24Å; W6-P326 HydrophobicContact CZ2-CG 4.01Å; W6-P326 HydrophobicContact CZ3-CG 4.34Å; W6-T332 HydrophobicContact CH2-CG2 3.33Å; W6-T332 WeakPolarHBondContact CH2-O 3.13Å; W6-T332 HydrophobicContact CZ2-CG2 3.07Å; W6-L335 HydrophobicContact CE3-CD2 3.82Å; W6-L335 HydrophobicContact CE3-CG 4.3Å; W6-L335 HydrophobicContact CH2-CB 4.47Å; W6-L335 HydrophobicContact CH2-CD2 4.21Å; W6-L335 HydrophobicContact CH2-CG 4.46Å; W6-L335 HydrophobicContact CZ3-CB 4.07Å; W6-L335 HydrophobicContact CZ3-CD2 3.43Å; W6-L335 VanDerWaalsContact CZ3-CD2 3.43Å; W6-L335 HydrophobicContact CZ3-CG 3.62Å; W6-K336 HydrophobicContact CH2-CD 4.2Å; W6-K336 HydrophobicContact CH2-CG 3.61Å; W6-K336 HydrophobicContact CZ2-CG 4.45Å; W6-K336 HydrophobicContact CZ3-CG 3.95Å; W6-L339 HydrophobicContact CE3-CD1 4.36Å; W6-L339 HydrophobicContact CZ3-CD1 4.35Å; W6-F378 HydrophobicContact CB-CE2 3.82Å; W6-F378 HydrophobicContact CB-CZ 4.48Å; W6-F378 AromaticContact CD1-CZ 3.96Å; W6-F378 AromaticContact CD2-CE2 3.74Å; W6-F378 HydrophobicContact CD2-CE2 3.74Å; W6-F378 HydrophobicContact CD2-CZ 4.15Å; W6-F378 HydrophobicContact CE3-CE2 4.06Å; W6-F378 AromaticContact CG-CE2 3.64Å; W6-F378 HydrophobicContact CG-CE2 3.64Å; W6-F378 AromaticContact CG-CZ 3.99Å; W6-F378 HydrophobicContact CG-CZ 3.99Å
7L95.5Very high86.9Confident0 Ų044.8 Ų44.80%023%0.226CC..EExtended strand (participates in β ladder)trans-91.6110.2173-177.264.1000107.7F36 K301 V305 L323 L379 I381L7-F36 HydrophobicContact CD1-CB 3.7Å; L7-F36 HydrophobicContact CD1-CD1 3.7Å; L7-F36 HydrophobicContact CD1-CD2 3.69Å; L7-F36 HydrophobicContact CD1-CE1 4.21Å; L7-F36 HydrophobicContact CD1-CE2 4.2Å; L7-F36 HydrophobicContact CD1-CG 3.4Å; L7-F36 VanDerWaalsContact CD1-CG 3.4Å; L7-F36 HydrophobicContact CD1-CZ 4.43Å; L7-F36 HydrophobicContact CD2-CE1 4.25Å; L7-F36 HydrophobicContact CD2-CZ 4.3Å; L7-K301 HydrophobicContact CD2-CB 4.22Å; L7-V305 HydrophobicContact CD2-CB 4.44Å; L7-V305 HydrophobicContact CD2-CG2 3.34Å; L7-V305 HydrophobicContact CG-CG2 3.61Å; L7-L323 HydrophobicContact CB-CD1 4.18Å; L7-L323 HydrophobicContact CD1-CD1 4.29Å; L7-L379 HydrophobicContact CB-CB 4.37Å; L7-L379 PolarHBondContact N-O 3Å; L7-L379 PolarHBondContact O-N 2.94Å; L7-I381 HydrophobicContact CB-CD1 4.18Å; L7-I381 HydrophobicContact CB-CG1 4.44Å; L7-I381 HydrophobicContact CD2-CD1 4.47Å
8I96Very high87.3Confident2 Ų246.9 Ų46.91%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-114.9159.5179.375.2174000110.7W6 L23 A321 A322 L324 L339 Y376 V377 F378W6-I8 HydrophobicContact CB-CG2 4.37Å; I8-L23 HydrophobicContact CD1-CD1 3.84Å; I8-L23 HydrophobicContact CD1-CD2 4Å; I8-A321 CarbonylContact O-C 3.55Å; I8-A321 VanDerWaalsContact O-CA 3.27Å; I8-A321 WeakPolarHBondContact O-CA 3.16Å; I8-A322 HydrophobicContact CG1-CB 4.13Å; I8-A322 PolarHBondContact N-O 3.42Å; I8-A322 PolarHBondContact O-N 2.73Å; I8-L324 HydrophobicContact CD1-CD1 3.57Å; I8-L324 HydrophobicContact CD1-CD2 4.15Å; I8-L324 HydrophobicContact CG1-CD1 3.65Å; I8-L339 HydrophobicContact CD1-CD2 3.9Å; I8-Y376 HydrophobicContact CB-CD2 4.05Å; I8-Y376 HydrophobicContact CB-CE2 4.24Å; I8-Y376 HydrophobicContact CG2-CD2 4.17Å; I8-Y376 HydrophobicContact CG2-CE2 3.85Å; I8-V377 CarbonylContact C-O 3.14Å; I8-V377 WeakPolarHBondContact CA-O 3.44Å; I8-F378 HydrophobicContact CG2-CD2 3.83Å; I8-F378 HydrophobicContact CG2-CE2 4.5Å
9S96.1Very high87.7Confident0 Ų044.8 Ų44.80%023%0.225CC..EExtended strand (participates in β ladder)trans-140.3145.7167.5172.90000109.9S309 Y313 F319 Y376 V377S9-S309 VanDerWaalsContact CB-OG 3.24Å; S9-S309 WeakPolarHBondContact CB-OG 3.27Å; S9-S309 PolarHBondContact OG-OG 3.05Å; S9-Y313 PolarHBondContact O-OH 3.05Å; S9-F319 WeakPolarHBondContact OG-CD2 3.45Å; S9-Y376 WeakPolarHBondContact O-CB 3.26Å; S9-V377 PolarHBondContact N-O 3.42Å; S9-V377 PolarHBondContact O-N 3.44Å
10A95.6Very high88Confident1 Ų144 Ų441%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-139.3151.7177.400000109.7T19 F319 Q320 Y343A10-T19 HydrophobicContact CB-CG2 3.82Å; A10-F319 CarbonylContact O-C 3.59Å; A10-F319 WeakPolarHBondContact O-CA 3.49Å; A10-F319 WeakPolarHBondContact O-CB 3.45Å; A10-Q320 PolarHBondContact N-O 3.45Å; A10-Q320 PolarHBondContact O-N 3.19Å; A10-Y343 HydrophobicContact CB-CD1 3.99Å; A10-Y343 HydrophobicContact CB-CE1 3.36Å; A10-Y343 HydrophobicContact CB-CE2 4.17Å; A10-Y343 VanDerWaalsContact CB-CZ 3.46Å
11P94.7Very high88.4Confident22 Ų2245.5 Ų45.514%0.14323%0.228CC..EExtended strand (participates in β ladder)trans-65.9147.2-177.926.9-32.1000111.3E13 T19 Y313 L346P11-E13 PolarHBondContact O-N 3.36Å; P11-E13 VanDerWaalsContact O-N 3.13Å; P11-T19 WeakPolarHBondContact O-CG2 3.39Å; P11-T19 PolarHBondContact O-OG1 3.43Å; P11-Y313 HydrophobicContact CB-CD1 4.17Å; P11-Y313 HydrophobicContact CB-CD2 4.29Å; P11-Y313 HydrophobicContact CB-CG 3.99Å; P11-Y313 HydrophobicContact CG-CD1 4.16Å; P11-Y313 HydrophobicContact CG-CE1 4.3Å; P11-Y313 HydrophobicContact CG-CG 4.46Å; P11-L346 HydrophobicContact CG-CD1 4.24Å; P11-L346 HydrophobicContact CG-CD2 3.55Å
12G90.1Very high90.8Very high5 Ų540 Ų405%0.05220%0.195CC..  trans-74.893.8170.500000109.8K14 T19 N318G12-K14 PolarHBondContact O-N 3.12Å; G12-T19 WeakPolarHBondContact CA-OG1 3.39Å; G12-N318 PolarHBondContact N-O 3.18Å; G12-N318 PolarHBondContact O-ND2 2.97Å
13E80Confident92.2Very high93 Ų9338.2 Ų38.244%0.43519%0.186SC..SBendtrans-54.2-56.6-174.4-68.8-177.7168.500112P11 T19 R22 Y345P11-E13 PolarHBondContact O-N 3.36Å; P11-E13 VanDerWaalsContact O-N 3.13Å; E13-T19 PolarHBondContact N-OG1 3.18Å; E13-R22 IonicContact OE1-NH1 2.71Å; E13-R22 PolarHBondContact OE1-NH1 3.29Å; E13-R22 IonicContact OE2-NH1 2.89Å; E13-R22 PolarHBondContact OE2-NH1 2.98Å; E13-Y345 PolarHBondContact OE1-OH 2.73Å
14K82.6Confident92.9Very high163 Ų16339.8 Ų39.871%0.70919%0.194SC*.SBendtrans-112.6-44167.1-56.2-176.8-168.3157.80111.3G12 E18G12-K14 PolarHBondContact O-N 3.12Å; K14-E18 WeakPolarHBondContact CB-OE2 3.33Å; K14-E18 WeakPolarHBondContact CD-OE2 3.04Å
15T90.5Very high93.1Very high63 Ų6342.9 Ų42.939%0.38722%0.218SC..  trans-142.9152.1174.368.70000109.7Q17 E18 T19T15-Q17 PolarHBondContact O-N 3.17Å; T15-E18 PolarHBondContact O-N 3.36Å; T15-E18 WeakPolarHBondContact OG1-CG 3.46Å; T15-E18 PolarHBondContact OG1-N 2.65Å; T15-E18 VanDerWaalsContact OG1-N 3.11Å; T15-T19 PolarHBondContact O-N 3.13Å
16C92.4Very high93.2Very high36 Ų3644.4 Ų44.424%0.24323%0.228CC..Hα-helixtrans-58-29.5172.3-61.70000112.5W20 N318 F319 Q320C16-W20 WeakPolarHBondContact O-CB 3.41Å; C16-W20 PolarHBondContact O-N 2.87Å; C16-N318 PolarHBondContact SG-OD1 3.42Å; C16-F319 PolarHBondContact SG-O 3.41Å; C16-Q320 HydrophobicContact CB-CB 4.01Å; C16-Q320 PolarHBondContact O-OE1 2.88Å
17Q93.2Very high93.3Very high85 Ų8544.4 Ų44.440%0.39723%0.228SC..Hα-helixtrans-67.4-43.7177.9-176.859.445.100112T15 W20 D21T15-Q17 PolarHBondContact O-N 3.17Å; Q17-W20 WeakPolarHBondContact O-CB 3.47Å; Q17-W20 PolarHBondContact O-N 2.84Å; Q17-D21 PolarHBondContact NE2-OD1 2.87Å; Q17-D21 PolarHBondContact NE2-OD2 3.01Å; Q17-D21 PolarHBondContact O-N 2.71Å
18E93.8Very high93.1Very high82 Ų8248 Ų4838%0.38325%0.253SS..Hα-helixtrans-62.9-43.1175.8-75.4179.1-158.700111.7K14 T15 W20 D21 R22K14-E18 WeakPolarHBondContact CB-OE2 3.33Å; K14-E18 WeakPolarHBondContact CD-OE2 3.04Å; T15-E18 PolarHBondContact O-N 3.36Å; T15-E18 WeakPolarHBondContact OG1-CG 3.46Å; T15-E18 PolarHBondContact OG1-N 2.65Å; T15-E18 VanDerWaalsContact OG1-N 3.11Å; E18-W20 VanDerWaalsContact C-N 3.27Å; E18-W20 PolarHBondContact O-N 2.87Å; E18-D21 PolarHBondContact O-N 2.89Å; E18-R22 WeakPolarHBondContact O-CB 3.29Å; E18-R22 PolarHBondContact O-N 3.09Å
19T94.7Very high93Very high7 Ų752.5 Ų52.54%0.04328%0.277CS..Hα-helixtrans-59.2-40.3174.7-59.70000111.3A10 P11 G12 E13 T15 L23 Q320A10-T19 HydrophobicContact CB-CG2 3.82Å; P11-T19 WeakPolarHBondContact O-CG2 3.39Å; P11-T19 PolarHBondContact O-OG1 3.43Å; G12-T19 WeakPolarHBondContact CA-OG1 3.39Å; E13-T19 PolarHBondContact N-OG1 3.18Å; T15-T19 PolarHBondContact O-N 3.13Å; T19-L23 WeakPolarHBondContact O-CB 3.44Å; T19-L23 PolarHBondContact O-N 2.93Å; T19-Q320 HydrophobicContact CG2-CB 4.22Å
20W95.2Very high92.9Very high28 Ų2853 Ų5311%0.10628%0.279CS..Hα-helixtrans-63.6-48.5175.1170.8-103.3000113.1C16 Q17 E18 R22 L23 N24 N33 K35 Q320 A322C16-W20 WeakPolarHBondContact O-CB 3.41Å; C16-W20 PolarHBondContact O-N 2.87Å; Q17-W20 WeakPolarHBondContact O-CB 3.47Å; Q17-W20 PolarHBondContact O-N 2.84Å; E18-W20 VanDerWaalsContact C-N 3.27Å; E18-W20 PolarHBondContact O-N 2.87Å; W20-R22 VanDerWaalsContact C-N 3.31Å; W20-R22 PolarHBondContact O-N 3.22Å; W20-L23 HydrophobicContact CE3-CD2 4.49Å; W20-L23 PolarHBondContact O-N 3.48Å; W20-N24 WeakPolarHBondContact CZ2-ND2 3.49Å; W20-N24 PolarHBondContact NE1-ND2 2.79Å; W20-N24 WeakPolarHBondContact O-CB 3.43Å; W20-N24 PolarHBondContact O-N 3.37Å; W20-N33 HydrophobicContact CH2-CB 3.92Å; W20-N33 HydrophobicContact CZ3-CB 4.33Å; W20-K35 HydrophobicContact CD2-CD 4.11Å; W20-K35 VanDerWaalsContact CD2-CE 3.45Å; W20-K35 HydrophobicContact CD2-CG 3.48Å; W20-K35 VanDerWaalsContact CD2-CG 3.48Å; W20-K35 VanDerWaalsContact CE2-CG 3.49Å; W20-K35 HydrophobicContact CE3-CG 3.57Å; W20-K35 HydrophobicContact CG-CD 4.33Å; W20-K35 HydrophobicContact CG-CG 4.19Å; W20-K35 HydrophobicContact CH2-CB 4.44Å; W20-K35 HydrophobicContact CH2-CG 3.76Å; W20-K35 HydrophobicContact CZ2-CG 3.63Å; W20-K35 HydrophobicContact CZ3-CB 4.4Å; W20-K35 HydrophobicContact CZ3-CG 3.72Å; W20-Q320 HydrophobicContact CB-CG 3.99Å; W20-A322 HydrophobicContact CE3-CB 4.23Å; W20-A322 HydrophobicContact CZ3-CB 3.86Å
21D96.1Very high92.9Very high77 Ų7753 Ų5341%0.41228%0.28SS..Hα-helixtrans-66.5-36.8-177.7-67-31.6000111Q17 E18 N24 S25Q17-D21 PolarHBondContact NE2-OD1 2.87Å; Q17-D21 PolarHBondContact NE2-OD2 3.01Å; Q17-D21 PolarHBondContact O-N 2.71Å; E18-D21 PolarHBondContact O-N 2.89Å; D21-N24 PolarHBondContact O-N 3.38Å; D21-S25 WeakPolarHBondContact O-CB 3.39Å; D21-S25 PolarHBondContact O-N 3.05Å; D21-S25 PolarHBondContact O-OG 3.44Å
22R95.4Very high92.8Very high100 Ų10055.2 Ų55.238%0.37729%0.293SS..Hα-helixtrans-65.8-45.1173.8-167.9179.4177.2-170.4-10.8112.2E13 E18 W20 S25 T26 L342E13-R22 IonicContact OE1-NH1 2.71Å; E13-R22 PolarHBondContact OE1-NH1 3.29Å; E13-R22 IonicContact OE2-NH1 2.89Å; E13-R22 PolarHBondContact OE2-NH1 2.98Å; E18-R22 WeakPolarHBondContact O-CB 3.29Å; E18-R22 PolarHBondContact O-N 3.09Å; W20-R22 VanDerWaalsContact C-N 3.31Å; W20-R22 PolarHBondContact O-N 3.22Å; R22-S25 WeakPolarHBondContact CA-OG 3.5Å; R22-S25 PolarHBondContact O-OG 3.45Å; R22-T26 VanDerWaalsContact O-CB 3.31Å; R22-T26 WeakPolarHBondContact O-CB 3.39Å; R22-T26 PolarHBondContact O-N 3.27Å; R22-T26 VanDerWaalsContact O-N 3.13Å; R22-T26 PolarHBondContact O-OG1 2.88Å; R22-L342 HydrophobicContact CG-CD1 3.97Å; R22-L342 VanDerWaalsContact NE-CD1 3.34Å
23L96Very high93Very high4 Ų456.1 Ų56.12%0.02130%0.296CS..Hα-helixtrans-57.9-50.4174.5174.764.7000110.9I8 T19 W20 T26 T27 A322 L324 L339 L342 Y343I8-L23 HydrophobicContact CD1-CD1 3.84Å; I8-L23 HydrophobicContact CD1-CD2 4Å; T19-L23 WeakPolarHBondContact O-CB 3.44Å; T19-L23 PolarHBondContact O-N 2.93Å; W20-L23 HydrophobicContact CE3-CD2 4.49Å; W20-L23 PolarHBondContact O-N 3.48Å; L23-T26 PolarHBondContact O-N 2.8Å; L23-T27 HydrophobicContact CD1-CG2 4.01Å; L23-T27 PolarHBondContact O-N 2.94Å; L23-T27 PolarHBondContact O-OG1 3.31Å; L23-A322 HydrophobicContact CD2-CB 3.41Å; L23-A322 VanDerWaalsContact CD2-CB 3.41Å; L23-L324 HydrophobicContact CD1-CD2 4.39Å; L23-L324 HydrophobicContact CD2-CD1 4.19Å; L23-L339 HydrophobicContact CD1-CD2 3.55Å; L23-L342 HydrophobicContact CD1-CD2 4.39Å; L23-Y343 HydrophobicContact CD1-CE2 4.42Å
24N94.9Very high93.7Very high37 Ų3753.6 Ų53.620%0.19828%0.284CS..Hα-helixtrans-64.2-46.5-178.5-84.1-12000114W20 D21 T26 T27 S28 N33W20-N24 WeakPolarHBondContact CZ2-ND2 3.49Å; W20-N24 PolarHBondContact NE1-ND2 2.79Å; W20-N24 WeakPolarHBondContact O-CB 3.43Å; W20-N24 PolarHBondContact O-N 3.37Å; D21-N24 PolarHBondContact O-N 3.38Å; N24-T26 PolarHBondContact O-N 3.46Å; N24-T27 PolarHBondContact O-N 3.11Å; N24-S28 WeakPolarHBondContact O-CB 3.19Å; N24-S28 PolarHBondContact O-N 2.93Å; N24-S28 PolarHBondContact O-OG 3.19Å; N24-N33 WeakPolarHBondContact OD1-CB 3.43Å; N24-N33 PolarHBondContact OD1-ND2 2.92Å
25S95Very high94.2Very high89 Ų8949.5 Ų49.562%0.62227%0.267SS*.Hα-helixtrans-60.7-29.2177.451.80000111.8D21 R22D21-S25 WeakPolarHBondContact O-CB 3.39Å; D21-S25 PolarHBondContact O-N 3.05Å; D21-S25 PolarHBondContact O-OG 3.44Å; R22-S25 WeakPolarHBondContact CA-OG 3.5Å; R22-S25 PolarHBondContact O-OG 3.45Å
26T95Very high94.3Very high38 Ų3846.8 Ų46.823%0.23325%0.249CC..Hα-helixtrans-82.2-41.5179.2-54.60000112.4R22 L23 N24 L338 L342R22-T26 VanDerWaalsContact O-CB 3.31Å; R22-T26 WeakPolarHBondContact O-CB 3.39Å; R22-T26 PolarHBondContact O-N 3.27Å; R22-T26 VanDerWaalsContact O-N 3.13Å; R22-T26 PolarHBondContact O-OG1 2.88Å; L23-T26 PolarHBondContact O-N 2.8Å; N24-T26 PolarHBondContact O-N 3.46Å; T26-L338 HydrophobicContact CG2-CD1 4.08Å; T26-L338 HydrophobicContact CG2-CD2 3.52Å; T26-L338 HydrophobicContact CG2-CG 3.54Å; T26-L338 WeakPolarHBondContact O-CD2 3.3Å; T26-L342 HydrophobicContact CG2-CD2 4.27Å
27T95.7Very high94.1Very high0 Ų049 Ų490%027%0.265CS..Hα-helixtrans-110.8-6.4-166.964.40000116.2L23 N24 D29 L30 S31 N33 L335 L338 L339L23-T27 HydrophobicContact CD1-CG2 4.01Å; L23-T27 PolarHBondContact O-N 2.94Å; L23-T27 PolarHBondContact O-OG1 3.31Å; N24-T27 PolarHBondContact O-N 3.11Å; T27-D29 PolarHBondContact O-N 2.95Å; T27-D29 VanDerWaalsContact O-N 3.1Å; T27-L30 PolarHBondContact O-N 2.8Å; T27-S31 PolarHBondContact O-N 3.19Å; T27-S31 PolarHBondContact O-OG 3.42Å; T27-N33 PolarHBondContact OG1-ND2 3.13Å; T27-L335 HydrophobicContact CG2-CD1 3.6Å; T27-L338 HydrophobicContact CG2-CD2 4.22Å; T27-L339 HydrophobicContact CG2-CD2 3.88Å; T27-L339 HydrophobicContact CG2-CG 4.34Å
28S92.8Very high93.8Very high75 Ų7546.3 Ų46.352%0.52425%0.253SS..THydrogen-bonded Turntrans-60.9-21.8-171.253.60000115.8N24N24-S28 WeakPolarHBondContact O-CB 3.19Å; N24-S28 PolarHBondContact O-N 2.93Å; N24-S28 PolarHBondContact O-OG 3.19Å
29D93.7Very high93.5Very high98 Ų9844.7 Ų44.752%0.52425%0.249SC..THydrogen-bonded Turntrans-77.4-21.2173.754.1-41.1000113T27 N327T27-D29 PolarHBondContact O-N 2.95Å; T27-D29 VanDerWaalsContact O-N 3.1Å; D29-N327 PolarHBondContact O-ND2 2.8Å; D29-N327 VanDerWaalsContact O-ND2 3.14Å
30L94.2Very high92.9Very high10 Ų1052 Ų525%0.05229%0.288CS..THydrogen-bonded Turntrans-110-23-176.6-56.3-178.8000113.5T27 N327 V331 R334 L335 L338T27-L30 PolarHBondContact O-N 2.8Å; L30-N327 VanDerWaalsContact C-ND2 3.32Å; L30-N327 WeakPolarHBondContact O-CB 3.24Å; L30-N327 PolarHBondContact O-N 3.4Å; L30-N327 PolarHBondContact O-ND2 2.9Å; L30-V331 HydrophobicContact CB-CG2 4.43Å; L30-V331 HydrophobicContact CD2-CB 4.19Å; L30-V331 HydrophobicContact CD2-CG1 4.46Å; L30-V331 WeakPolarHBondContact O-CG2 3.42Å; L30-R334 HydrophobicContact CD1-CB 4.35Å; L30-R334 HydrophobicContact CD1-CG 3.87Å; L30-L335 HydrophobicContact CB-CB 4.3Å; L30-L335 HydrophobicContact CB-CD1 4.07Å; L30-L335 HydrophobicContact CD1-CB 4.24Å; L30-L335 HydrophobicContact CD1-CD1 4.42Å; L30-L338 HydrophobicContact CD1-CD2 4.15Å
31S94.4Very high92.5Very high2 Ų252.6 Ų52.61%0.01429%0.293CS..EExtended strand (participates in β ladder)trans-143.9154.4178.553.50000113.6T27 N33 Q325T27-S31 PolarHBondContact O-N 3.19Å; T27-S31 PolarHBondContact O-OG 3.42Å; S31-N33 WeakPolarHBondContact CB-OD1 3.48Å; S31-N33 PolarHBondContact O-OD1 3.42Å; S31-N33 PolarHBondContact OG-OD1 3.33Å; S31-Q325 CarbonylContact C-O 3.59Å; S31-Q325 WeakPolarHBondContact CA-O 3.33Å; S31-Q325 VanDerWaalsContact CB-O 3.26Å; S31-Q325 WeakPolarHBondContact CB-O 3.46Å
32V93.6Very high91.9Very high68 Ų6858.9 Ų58.941%0.41232%0.317SS..EExtended strand (participates in β ladder)trans-87.4124.4163.5-175.10000108.1Q325V32-Q325 HydrophobicContact CB-CB 4.42Å; V32-Q325 PolarHBondContact N-O 2.99Å; V32-Q325 PolarHBondContact O-N 2.79Å
33N94.6Very high91.3Very high23 Ų2356.5 Ų56.512%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-111.2138.8-172.6-56.3-13.6000110.8W20 N24 T27 S31 L323 L324W20-N33 HydrophobicContact CH2-CB 3.92Å; W20-N33 HydrophobicContact CZ3-CB 4.33Å; N24-N33 WeakPolarHBondContact OD1-CB 3.43Å; N24-N33 PolarHBondContact OD1-ND2 2.92Å; T27-N33 PolarHBondContact OG1-ND2 3.13Å; S31-N33 WeakPolarHBondContact CB-OD1 3.48Å; S31-N33 PolarHBondContact O-OD1 3.42Å; S31-N33 PolarHBondContact OG-OD1 3.33Å; N33-L323 CarbonylContact C-O 3.52Å; N33-L323 WeakPolarHBondContact CA-O 3.19Å; N33-L324 WeakPolarHBondContact OD1-CG 3.3Å
34H94.2Very high90.5Very high40 Ų4058.3 Ų58.319%0.18533%0.333CS..EExtended strand (participates in β ladder)trans-128.3138.4173.8-57.2-78.6000110.1F36 A322 L323H34-F36 PolarHBondContact O-N 2.85Å; H34-A322 CarbonylContact O-C 3.53Å; H34-A322 WeakPolarHBondContact O-CA 3.44Å; H34-L323 HydrophobicContact CB-CB 4.36Å; H34-L323 PolarHBondContact N-O 3.19Å; H34-L323 PolarHBondContact O-N 2.79Å
35K93.1Very high90.1Very high78 Ų7860.1 Ų60.134%0.33935%0.346SS..EExtended strand (participates in β ladder)trans-64.2134167.7-72.8-169.7175.7-169.80108.6W20W20-K35 HydrophobicContact CD2-CD 4.11Å; W20-K35 VanDerWaalsContact CD2-CE 3.45Å; W20-K35 HydrophobicContact CD2-CG 3.48Å; W20-K35 VanDerWaalsContact CD2-CG 3.48Å; W20-K35 VanDerWaalsContact CE2-CG 3.49Å; W20-K35 HydrophobicContact CE3-CG 3.57Å; W20-K35 HydrophobicContact CG-CD 4.33Å; W20-K35 HydrophobicContact CG-CG 4.19Å; W20-K35 HydrophobicContact CH2-CB 4.44Å; W20-K35 HydrophobicContact CH2-CG 3.76Å; W20-K35 HydrophobicContact CZ2-CG 3.63Å; W20-K35 HydrophobicContact CZ3-CB 4.4Å; W20-K35 HydrophobicContact CZ3-CG 3.72Å
36F92.9Very high89.7Confident6 Ų661.7 Ų61.73%0.02635%0.346CS..  trans-107.899.9175-167.9-88.7000108.7L7 H34 I38 F122 I298 A302 A321 L323L7-F36 HydrophobicContact CD1-CB 3.7Å; L7-F36 HydrophobicContact CD1-CD1 3.7Å; L7-F36 HydrophobicContact CD1-CD2 3.69Å; L7-F36 HydrophobicContact CD1-CE1 4.21Å; L7-F36 HydrophobicContact CD1-CE2 4.2Å; L7-F36 HydrophobicContact CD1-CG 3.4Å; L7-F36 VanDerWaalsContact CD1-CG 3.4Å; L7-F36 HydrophobicContact CD1-CZ 4.43Å; L7-F36 HydrophobicContact CD2-CE1 4.25Å; L7-F36 HydrophobicContact CD2-CZ 4.3Å; H34-F36 PolarHBondContact O-N 2.85Å; F36-I38 HydrophobicContact CD1-CD1 4.1Å; F36-I38 HydrophobicContact CD1-CG1 3.73Å; F36-I38 HydrophobicContact CE1-CD1 4.23Å; F36-I38 HydrophobicContact CE1-CG1 3.88Å; F36-I38 PolarHBondContact O-N 3.33Å; F36-F122 HydrophobicContact CD1-CD1 4.37Å; F36-F122 HydrophobicContact CD2-CB 4.16Å; F36-F122 HydrophobicContact CD2-CD1 4.27Å; F36-F122 HydrophobicContact CD2-CG 4.5Å; F36-F122 AromaticContact CE1-CD1 3.66Å; F36-F122 HydrophobicContact CE1-CD1 3.66Å; F36-F122 AromaticContact CE1-CE1 3.82Å; F36-F122 HydrophobicContact CE1-CE1 3.82Å; F36-F122 HydrophobicContact CE1-CG 4.49Å; F36-F122 HydrophobicContact CE2-CB 3.57Å; F36-F122 AromaticContact CE2-CD1 3.55Å; F36-F122 HydrophobicContact CE2-CD1 3.55Å; F36-F122 HydrophobicContact CE2-CE1 4.39Å; F36-F122 AromaticContact CE2-CG 3.62Å; F36-F122 HydrophobicContact CE2-CG 3.62Å; F36-F122 HydrophobicContact CZ-CB 4.12Å; F36-F122 AromaticContact CZ-CD1 3.19Å; F36-F122 HydrophobicContact CZ-CD1 3.19Å; F36-F122 HydrophobicContact CZ-CD2 4.35Å; F36-F122 AromaticContact CZ-CE1 3.6Å; F36-F122 HydrophobicContact CZ-CE1 3.6Å; F36-F122 AromaticContact CZ-CG 3.62Å; F36-F122 HydrophobicContact CZ-CG 3.62Å; F36-F122 HydrophobicContact CZ-CZ 4.31Å; F36-I298 HydrophobicContact CE2-CG2 4.26Å; F36-I298 HydrophobicContact CZ-CG2 4.14Å; F36-A302 HydrophobicContact CE1-CB 3.65Å; F36-A302 HydrophobicContact CZ-CB 4.01Å; F36-A321 HydrophobicContact CB-CB 4.16Å; F36-A321 HydrophobicContact CD1-CB 4.39Å; F36-A321 PolarHBondContact N-O 3.2Å; F36-A321 VanDerWaalsContact N-O 3.08Å; F36-L323 HydrophobicContact CD2-CB 4.46Å
37S88.3Confident89.2Confident81 Ų8166.3 Ų66.357%0.56637%0.37SS*.  trans-79.3111.3-173-63.10000111.3
38I87.1Confident88.8Confident30 Ų3071.3 Ų71.315%0.15439%0.393CS..  trans-103.1130171-56.1-180000107.2F36 L41 V305 F306 F319 A321F36-I38 HydrophobicContact CD1-CD1 4.1Å; F36-I38 HydrophobicContact CD1-CG1 3.73Å; F36-I38 HydrophobicContact CE1-CD1 4.23Å; F36-I38 HydrophobicContact CE1-CG1 3.88Å; F36-I38 PolarHBondContact O-N 3.33Å; I38-L41 HydrophobicContact CG2-CD1 4.38Å; I38-V305 HydrophobicContact CD1-CB 3.93Å; I38-V305 HydrophobicContact CD1-CG1 3.8Å; I38-F306 HydrophobicContact CG2-CB 4.19Å; I38-F306 HydrophobicContact CG2-CD2 4.01Å; I38-F319 HydrophobicContact CD1-CE2 4.12Å; I38-F319 HydrophobicContact CD1-CZ 4.39Å; I38-A321 HydrophobicContact CD1-CB 4.03Å; I38-A321 HydrophobicContact CG1-CB 4.48Å
39P86.6Confident88.6Confident47 Ų4768.1 Ų68.131%0.30537%0.37SS..  trans-71.5167.5177.633.8-39.2000111.3L41 W124P39-L41 HydrophobicContact CG-CD2 3.86Å; P39-L41 HydrophobicContact CG-CG 4.22Å; P39-L41 PolarHBondContact O-N 3.05Å; P39-W124 HydrophobicContact CG-CB 3.89Å; P39-W124 HydrophobicContact CG-CD2 3.73Å; P39-W124 HydrophobicContact CG-CE3 4.41Å; P39-W124 HydrophobicContact CG-CG 3.44Å; P39-W124 VanDerWaalsContact CG-CG 3.44Å
40D83.2Confident88.5Confident160 Ų16067.1 Ų67.186%0.85637%0.368SS*.  trans-68.697.8170.9-60.2-41.4000109.9
41L86.2Confident88.2Confident41 Ų4168.2 Ų68.222%0.21538%0.381CS..PPolyproline II helixtrans-86.7149.2175.5-59.7174.8000110.2I38 P39 V43 W124 L303 F306I38-L41 HydrophobicContact CG2-CD1 4.38Å; P39-L41 HydrophobicContact CG-CD2 3.86Å; P39-L41 HydrophobicContact CG-CG 4.22Å; P39-L41 PolarHBondContact O-N 3.05Å; L41-V43 PolarHBondContact O-N 2.91Å; L41-W124 HydrophobicContact CD1-CH2 4.26Å; L41-W124 HydrophobicContact CD2-CH2 4.39Å; L41-W124 HydrophobicContact CD2-CZ2 3.86Å; L41-L303 HydrophobicContact CD1-CD2 3.6Å; L41-F306 HydrophobicContact CB-CD1 4.31Å; L41-F306 HydrophobicContact CB-CD2 4.27Å; L41-F306 HydrophobicContact CB-CE1 3.89Å; L41-F306 HydrophobicContact CB-CE2 3.85Å; L41-F306 HydrophobicContact CB-CG 4.49Å; L41-F306 HydrophobicContact CB-CZ 3.65Å; L41-F306 HydrophobicContact CD1-CB 4.3Å; L41-F306 HydrophobicContact CD1-CD1 4.12Å; L41-F306 HydrophobicContact CD1-CD2 4.14Å; L41-F306 HydrophobicContact CD1-CG 3.92Å; L41-F306 HydrophobicContact CG-CD2 4.42Å; L41-F306 HydrophobicContact CG-CE2 4.42Å; L41-F306 WeakPolarHBondContact O-CZ 3.49Å
42K82.9Confident88Confident209 Ų20972 Ų7291%0.90940%0.401SS*.PPolyproline II helixtrans-66.9128.8175.9-70.7-174.9179.1-179.20110
43V82.1Confident87.9Confident50 Ų5070.1 Ų70.130%0.30339%0.391SS..PPolyproline II helixtrans-90.5126.3175.8-171.20000109.1L41 L49 F306 V310 L315 V317L41-V43 PolarHBondContact O-N 2.91Å; V43-L49 HydrophobicContact CG1-CD1 3.81Å; V43-L49 HydrophobicContact CG1-CD2 4.5Å; V43-F306 HydrophobicContact CG2-CE1 4.24Å; V43-F306 HydrophobicContact CG2-CZ 3.83Å; V43-V310 HydrophobicContact CG1-CG1 4Å; V43-L315 HydrophobicContact CG1-CD2 4.33Å; V43-L315 HydrophobicContact CG2-CD2 4.25Å; V43-V317 HydrophobicContact CG2-CG2 3.64Å
44G79.4Confident87.7Confident42 Ų4273.8 Ų73.843%0.43341%0.41SS..  trans-80.7-158.2172.300000112.4
45T87.6Confident87.6Confident76 Ų7676.4 Ų76.447%0.46643%0.425SS..  trans-73.4158.3169.965.80000110.9D47 Q48 L49T45-D47 PolarHBondContact O-N 2.86Å; T45-Q48 WeakPolarHBondContact O-CB 3.49Å; T45-Q48 PolarHBondContact O-N 2.73Å; T45-Q48 VanDerWaalsContact O-N 3.14Å; T45-Q48 VanDerWaalsContact OG1-CG 3.23Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.47Å; T45-Q48 PolarHBondContact OG1-N 2.94Å; T45-L49 WeakPolarHBondContact O-CG 3.41Å; T45-L49 PolarHBondContact O-N 2.82Å
46L85.2Confident87.6Confident121 Ų12173.4 Ų73.463%0.63441%0.413SS*.Hα-helixtrans-57.1-41.1176.1-172.570000111.7Q48 L49 V50 L311L46-Q48 PolarHBondContact O-N 2.83Å; L46-L49 WeakPolarHBondContact O-CB 3.33Å; L46-L49 PolarHBondContact O-N 2.73Å; L46-L49 VanDerWaalsContact O-N 3.14Å; L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 2.82Å; L46-L311 HydrophobicContact CD1-CD2 3.64Å
47D86.1Confident87.6Confident135 Ų13574.3 Ų74.372%0.72242%0.422SS*.Hα-helixtrans-58.8-44.1175.8-17573.7000112.3T45 L49 V50 G51T45-D47 PolarHBondContact O-N 2.86Å; D47-L49 VanDerWaalsContact C-N 3.34Å; D47-L49 PolarHBondContact O-N 3.33Å; D47-V50 PolarHBondContact O-N 2.79Å; D47-G51 PolarHBondContact O-N 2.8Å; D47-G51 VanDerWaalsContact O-N 3.15Å
48Q87.6Confident87.9Confident106 Ų10676.7 Ų76.750%0.49542%0.422SS..Hα-helixtrans-62.6-39.4174.1-73.3169.4-16.700112.1T45 L46 G51 L52T45-Q48 WeakPolarHBondContact O-CB 3.49Å; T45-Q48 PolarHBondContact O-N 2.73Å; T45-Q48 VanDerWaalsContact O-N 3.14Å; T45-Q48 VanDerWaalsContact OG1-CG 3.23Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.47Å; T45-Q48 PolarHBondContact OG1-N 2.94Å; L46-Q48 PolarHBondContact O-N 2.83Å; Q48-G51 PolarHBondContact O-N 3.2Å; Q48-L52 VanDerWaalsContact O-CB 3.31Å; Q48-L52 WeakPolarHBondContact O-CB 3.46Å; Q48-L52 WeakPolarHBondContact O-CG 3.48Å; Q48-L52 PolarHBondContact O-N 3Å
49L88.7Confident88.2Confident8 Ų877.5 Ų77.54%0.04243%0.426CS..Hα-helixtrans-66.3-38.7178.4-68.2175000112.2V43 T45 L46 D47 L52 S53 V307 V310 L311V43-L49 HydrophobicContact CG1-CD1 3.81Å; V43-L49 HydrophobicContact CG1-CD2 4.5Å; T45-L49 WeakPolarHBondContact O-CG 3.41Å; T45-L49 PolarHBondContact O-N 2.82Å; L46-L49 WeakPolarHBondContact O-CB 3.33Å; L46-L49 PolarHBondContact O-N 2.73Å; L46-L49 VanDerWaalsContact O-N 3.14Å; D47-L49 VanDerWaalsContact C-N 3.34Å; D47-L49 PolarHBondContact O-N 3.33Å; L49-L52 PolarHBondContact O-N 3.06Å; L49-S53 PolarHBondContact O-N 2.9Å; L49-V307 HydrophobicContact CB-CG1 4.35Å; L49-V307 HydrophobicContact CD2-CG1 4.32Å; L49-V307 HydrophobicContact CD2-CG2 4.22Å; L49-V307 WeakPolarHBondContact O-CG1 3.4Å; L49-V310 HydrophobicContact CD1-CB 4.3Å; L49-V310 HydrophobicContact CD1-CG1 3.57Å; L49-L311 HydrophobicContact CB-CD2 3.71Å; L49-L311 HydrophobicContact CB-CG 4.12Å; L49-L311 HydrophobicContact CD1-CD2 4.41Å
50V90.2Very high88.5Confident77 Ų7775.5 Ų75.547%0.46741%0.413SS..Hα-helixtrans-61.8-48.7175.81740000110.1L46 D47 L52 S53 D54 L311L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 2.82Å; D47-V50 PolarHBondContact O-N 2.79Å; V50-L52 PolarHBondContact O-N 3.12Å; V50-S53 WeakPolarHBondContact O-CB 3.32Å; V50-S53 PolarHBondContact O-N 2.91Å; V50-D54 PolarHBondContact O-N 3.06Å; V50-L311 HydrophobicContact CG2-CD2 3.96Å
51G89.2Confident89.1Confident33 Ų3372.9 Ų72.934%0.3440%0.399SS..Hα-helixtrans-61.2-42.9175.300000113.2D47 Q48 S53 D54 D55D47-G51 PolarHBondContact O-N 2.8Å; D47-G51 VanDerWaalsContact O-N 3.15Å; Q48-G51 PolarHBondContact O-N 3.2Å; G51-S53 VanDerWaalsContact C-N 3.29Å; G51-S53 PolarHBondContact O-N 3.06Å; G51-D54 PolarHBondContact O-N 2.9Å; G51-D55 PolarHBondContact O-N 2.89Å; G51-D55 VanDerWaalsContact O-N 3.12Å
52L89Confident89.5Confident82 Ų8274.3 Ų74.343%0.42940%0.402SS..Hα-helixtrans-62.1-34.2176.2-77.7170.3000112.7Q48 L49 V50 D55 L56Q48-L52 VanDerWaalsContact O-CB 3.31Å; Q48-L52 WeakPolarHBondContact O-CB 3.46Å; Q48-L52 WeakPolarHBondContact O-CG 3.48Å; Q48-L52 PolarHBondContact O-N 3Å; L49-L52 PolarHBondContact O-N 3.06Å; V50-L52 PolarHBondContact O-N 3.12Å; L52-D55 PolarHBondContact O-N 3.11Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 WeakPolarHBondContact O-CD1 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 2.83Å
53S91.1Very high90Very high28 Ų2864.4 Ų64.420%0.19636%0.359CS..Hα-helixtrans-58.9-48.2177.3-177.90000111.2L49 V50 G51 A57L49-S53 PolarHBondContact O-N 2.9Å; V50-S53 WeakPolarHBondContact O-CB 3.32Å; V50-S53 PolarHBondContact O-N 2.91Å; G51-S53 VanDerWaalsContact C-N 3.29Å; G51-S53 PolarHBondContact O-N 3.06Å; S53-A57 WeakPolarHBondContact O-CB 3.34Å; S53-A57 PolarHBondContact O-N 3.27Å
54D91.9Very high90.6Very high100 Ų10064 Ų6454%0.53535%0.354SS..Hα-helixtrans-67-42.3179-72-21.3000112.1V50 G51 A57 K58V50-D54 PolarHBondContact O-N 3.06Å; G51-D54 PolarHBondContact O-N 2.9Å; D54-A57 PolarHBondContact O-N 3.37Å; D54-K58 WeakPolarHBondContact O-CG 3.25Å; D54-K58 PolarHBondContact O-N 3.02Å; D54-K58 VanDerWaalsContact O-N 3.09Å
55D91.4Very high91.4Very high94 Ų9464.1 Ų64.150%0.50335%0.348SS..Hα-helixtrans-68.3-40.1179.9-75.2-16.6000112.3G51 L52 A57 K58 L59G51-D55 PolarHBondContact O-N 2.89Å; G51-D55 VanDerWaalsContact O-N 3.12Å; L52-D55 PolarHBondContact O-N 3.11Å; D55-A57 VanDerWaalsContact C-N 3.35Å; D55-K58 PolarHBondContact O-N 3.49Å; D55-K58 IonicContact OD1-NZ 2.79Å; D55-L59 WeakPolarHBondContact O-CB 3.46Å; D55-L59 PolarHBondContact O-N 3.09Å
56L92.3Very high91.7Very high15 Ų1560.5 Ų60.58%0.07933%0.326CS..Hα-helixtrans-67.4-35.6175.2-72169.5000111.7L52 L59 D60 V300 L303 R304 V307L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 WeakPolarHBondContact O-CD1 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 2.83Å; L56-L59 PolarHBondContact O-N 3.3Å; L56-D60 VanDerWaalsContact O-CB 3.27Å; L56-D60 WeakPolarHBondContact O-CB 3.35Å; L56-D60 PolarHBondContact O-N 2.89Å; L56-V300 HydrophobicContact CD2-CG1 4.37Å; L56-L303 HydrophobicContact CD1-CB 3.94Å; L56-L303 HydrophobicContact CD2-CB 3.89Å; L56-L303 HydrophobicContact CD2-CD1 4.03Å; L56-R304 HydrophobicContact CB-CG 3.61Å; L56-R304 HydrophobicContact CD1-CG 4.5Å; L56-V307 HydrophobicContact CD1-CB 4.27Å; L56-V307 HydrophobicContact CD1-CG2 3.74Å
57A93.4Very high92.2Very high25 Ų2554.8 Ų54.821%0.20730%0.296CS..Hα-helixtrans-63.7-42.9174.200000111.8S53 D54 D55 N61S53-A57 WeakPolarHBondContact O-CB 3.34Å; S53-A57 PolarHBondContact O-N 3.27Å; D54-A57 PolarHBondContact O-N 3.37Å; D55-A57 VanDerWaalsContact C-N 3.35Å; A57-N61 PolarHBondContact O-N 3Å; A57-N61 PolarHBondContact O-ND2 3.08Å
58K94.6Very high92.6Very high132 Ų13251.4 Ų51.457%0.57427%0.273SS*.Hα-helixtrans-63.3-44.2173.5-68.3168.6-166.7158.50111.5D54 D55 N61 Y62D54-K58 WeakPolarHBondContact O-CG 3.25Å; D54-K58 PolarHBondContact O-N 3.02Å; D54-K58 VanDerWaalsContact O-N 3.09Å; D55-K58 PolarHBondContact O-N 3.49Å; D55-K58 IonicContact OD1-NZ 2.79Å; K58-N61 PolarHBondContact O-N 3.16Å; K58-Y62 WeakPolarHBondContact O-CB 3.38Å; K58-Y62 PolarHBondContact O-N 3.49Å
59L93.1Very high93Very high47 Ų4751 Ų5125%0.24627%0.269CS..Hα-helixtrans-65.3-38.7179.7-176.959.7000112.2D55 L56 Y62 A63 P130 V132 V300D55-L59 WeakPolarHBondContact O-CB 3.46Å; D55-L59 PolarHBondContact O-N 3.09Å; L56-L59 PolarHBondContact O-N 3.3Å; L59-Y62 PolarHBondContact O-N 3.41Å; L59-A63 VanDerWaalsContact O-CB 3.25Å; L59-A63 WeakPolarHBondContact O-CB 3.16Å; L59-A63 PolarHBondContact O-N 3.32Å; L59-P130 HydrophobicContact CD2-CB 4.48Å; L59-P130 HydrophobicContact CD2-CG 3.91Å; L59-V132 HydrophobicContact CD1-CG2 4.04Å; L59-V300 HydrophobicContact CB-CG1 4.33Å; L59-V300 HydrophobicContact CD2-CG1 4.36Å; L59-V300 HydrophobicContact CD2-CG2 3.73Å; L59-V300 HydrophobicContact CG-CG1 4.18Å; L59-V300 HydrophobicContact CG-CG2 3.91Å
60D93.4Very high93.4Very high4 Ų450.6 Ų50.62%0.02127%0.267CS..Hα-helixtrans-59.8-52175.6-176.414.8000110.8L56 Y62 A63 E64 W297 V300 K301 R304L56-D60 VanDerWaalsContact O-CB 3.27Å; L56-D60 WeakPolarHBondContact O-CB 3.35Å; L56-D60 PolarHBondContact O-N 2.89Å; D60-Y62 VanDerWaalsContact C-N 3.3Å; D60-Y62 PolarHBondContact O-N 3.38Å; D60-A63 PolarHBondContact O-N 2.77Å; D60-E64 WeakPolarHBondContact O-CB 3.45Å; D60-E64 PolarHBondContact O-N 2.97Å; D60-W297 PolarHBondContact O-NE1 3.03Å; D60-W297 VanDerWaalsContact OD1-CD1 3.27Å; D60-W297 PolarHBondContact OD1-NE1 3.26Å; D60-V300 HydrophobicContact CB-CG1 3.84Å; D60-K301 VanDerWaalsContact CG-NZ 3.32Å; D60-K301 IonicContact OD1-NZ 3.06Å; D60-K301 PolarHBondContact OD1-NZ 3.28Å; D60-K301 IonicContact OD2-NZ 3.36Å; D60-K301 PolarHBondContact OD2-NZ 2.83Å; D60-K301 VanDerWaalsContact OD2-NZ 3.08Å; D60-R304 WeakPolarHBondContact OD2-CD 3.21Å; D60-R304 IonicContact OD2-CZ 3.56Å; D60-R304 IonicContact OD2-NE 2.9Å; D60-R304 IonicContact OD2-NH1 3.24Å; D60-R304 PolarHBondContact OD2-NH1 2.9Å
61N95Very high93.6Very high105 Ų10546.9 Ų46.956%0.56125%0.245SC*.Hα-helixtrans-61-39.6177.3-69.3-31.1000112.1A57 K58 S65A57-N61 PolarHBondContact O-N 3Å; A57-N61 PolarHBondContact O-ND2 3.08Å; K58-N61 PolarHBondContact O-N 3.16Å; N61-S65 WeakPolarHBondContact O-CB 3.33Å; N61-S65 PolarHBondContact O-N 2.99Å
62Y95.2Very high93.8Very high72 Ų7249.1 Ų49.128%0.28225%0.246SC..Hα-helixtrans-68-47.1177.9-177.8-124.6000111.8K58 L59 D60 E64 S65 V66 V132 D136K58-Y62 WeakPolarHBondContact O-CB 3.38Å; K58-Y62 PolarHBondContact O-N 3.49Å; L59-Y62 PolarHBondContact O-N 3.41Å; D60-Y62 VanDerWaalsContact C-N 3.3Å; D60-Y62 PolarHBondContact O-N 3.38Å; Y62-E64 VanDerWaalsContact C-N 3.32Å; Y62-E64 PolarHBondContact O-N 3.11Å; Y62-S65 WeakPolarHBondContact O-CB 3.48Å; Y62-S65 PolarHBondContact O-N 3.46Å; Y62-V66 HydrophobicContact CD2-CG2 4.13Å; Y62-V66 HydrophobicContact CE1-CG2 4.37Å; Y62-V66 HydrophobicContact CE2-CG2 3.72Å; Y62-V66 WeakPolarHBondContact O-CG2 3.28Å; Y62-V66 PolarHBondContact O-N 3.01Å; Y62-V132 HydrophobicContact CD1-CB 4.19Å; Y62-V132 HydrophobicContact CD1-CG1 3.56Å; Y62-V132 HydrophobicContact CE1-CB 4.04Å; Y62-V132 HydrophobicContact CE1-CG1 3.5Å; Y62-V132 HydrophobicContact CG-CG1 4.41Å; Y62-D136 WeakPolarHBondContact OH-CB 3.31Å; Y62-D136 PolarHBondContact OH-OD2 3.3Å
63A93.9Very high94.1Very high0 Ų045.7 Ų45.70%023%0.228CC..Hα-helixtrans-60.7-4117700000111.8L59 D60 V66 T67 V132 M293 W297L59-A63 VanDerWaalsContact O-CB 3.25Å; L59-A63 WeakPolarHBondContact O-CB 3.16Å; L59-A63 PolarHBondContact O-N 3.32Å; D60-A63 PolarHBondContact O-N 2.77Å; A63-V66 PolarHBondContact O-N 3.05Å; A63-T67 WeakPolarHBondContact O-CB 3.46Å; A63-T67 PolarHBondContact O-N 3.09Å; A63-T67 PolarHBondContact O-OG1 2.86Å; A63-V132 HydrophobicContact CB-CG1 4.35Å; A63-V132 HydrophobicContact CB-CG2 4.24Å; A63-M293 HydrophobicContact CB-CE 4.12Å; A63-W297 HydrophobicContact CB-CB 4.16Å; A63-W297 HydrophobicContact CB-CG 4.2Å
64E94.4Very high94.3Very high42 Ų4244.3 Ų44.320%0.19622%0.219CC..Hα-helixtrans-59.8-49.5172.7-179165.6-175.100111.3D60 Y62 V66 T67 R68 W297D60-E64 WeakPolarHBondContact O-CB 3.45Å; D60-E64 PolarHBondContact O-N 2.97Å; Y62-E64 VanDerWaalsContact C-N 3.32Å; Y62-E64 PolarHBondContact O-N 3.11Å; E64-V66 VanDerWaalsContact C-N 3.33Å; E64-V66 PolarHBondContact O-N 3.36Å; E64-T67 PolarHBondContact O-N 2.87Å; E64-R68 HydrophobicContact CG-CG 4.42Å; E64-R68 WeakPolarHBondContact O-CG 3.41Å; E64-R68 PolarHBondContact O-N 2.94Å; E64-R68 IonicContact OE1-CZ 2.99Å; E64-R68 VanDerWaalsContact OE1-CZ 3.24Å; E64-R68 IonicContact OE1-NE 2.75Å; E64-R68 PolarHBondContact OE1-NE 2.83Å; E64-R68 IonicContact OE1-NH2 3.68Å; E64-R68 PolarHBondContact OE1-NH2 3.1Å; E64-W297 HydrophobicContact CB-CD2 4.35Å; E64-W297 HydrophobicContact CB-CH2 4.18Å; E64-W297 HydrophobicContact CB-CZ2 3.49Å; E64-W297 VanDerWaalsContact CB-CZ2 3.49Å; E64-W297 HydrophobicContact CG-CH2 3.66Å; E64-W297 HydrophobicContact CG-CZ2 3.39Å; E64-W297 HydrophobicContact CG-CZ3 4.48Å; E64-W297 WeakPolarHBondContact OE2-CZ2 3.32Å
65S95.5Very high94.3Very high45 Ų4540.5 Ų40.532%0.31520%0.2SC..Hα-helixtrans-58.1-44.9179.8-175.40000111.9N61 Y62 R68 K69N61-S65 WeakPolarHBondContact O-CB 3.33Å; N61-S65 PolarHBondContact O-N 2.99Å; Y62-S65 WeakPolarHBondContact O-CB 3.48Å; Y62-S65 PolarHBondContact O-N 3.46Å; S65-R68 PolarHBondContact O-N 2.92Å; S65-K69 VanDerWaalsContact O-CG 3.27Å; S65-K69 WeakPolarHBondContact O-CG 3.41Å; S65-K69 PolarHBondContact O-N 3.41Å; S65-K69 WeakPolarHBondContact OG-CE 3.29Å
66V95.2Very high94.4Very high0 Ų039.7 Ų39.70%019%0.193CC..Hα-helixtrans-67.4-42.2178.91770000111.1Y62 A63 E64 R68 K69 L70 V132 D136 M293Y62-V66 HydrophobicContact CD2-CG2 4.13Å; Y62-V66 HydrophobicContact CE1-CG2 4.37Å; Y62-V66 HydrophobicContact CE2-CG2 3.72Å; Y62-V66 WeakPolarHBondContact O-CG2 3.28Å; Y62-V66 PolarHBondContact O-N 3.01Å; A63-V66 PolarHBondContact O-N 3.05Å; E64-V66 VanDerWaalsContact C-N 3.33Å; E64-V66 PolarHBondContact O-N 3.36Å; V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 3.46Å; V66-K69 PolarHBondContact O-N 3.44Å; V66-L70 WeakPolarHBondContact O-CB 3.24Å; V66-L70 PolarHBondContact O-N 2.87Å; V66-V132 HydrophobicContact CB-CG1 4.1Å; V66-V132 HydrophobicContact CG1-CG1 4.43Å; V66-V132 HydrophobicContact CG2-CG1 3.91Å; V66-D136 HydrophobicContact CG1-CB 3.94Å; V66-D136 HydrophobicContact CG2-CB 3.76Å; V66-M293 HydrophobicContact CB-SD 4.15Å; V66-M293 HydrophobicContact CG1-CG 4.29Å; V66-M293 HydrophobicContact CG1-SD 3.74Å
67T95.1Very high94.4Very high0 Ų039.2 Ų39.20%019%0.19CC..Hα-helixtrans-57.6-47.8174.8-55.70000111.1A63 E64 L70 V71 F290 M293 F294 W297 L385A63-T67 WeakPolarHBondContact O-CB 3.46Å; A63-T67 PolarHBondContact O-N 3.09Å; A63-T67 PolarHBondContact O-OG1 2.86Å; E64-T67 PolarHBondContact O-N 2.87Å; T67-L70 PolarHBondContact O-N 3.38Å; T67-V71 WeakPolarHBondContact O-CG2 3.44Å; T67-V71 PolarHBondContact O-N 3.44Å; T67-F290 HydrophobicContact CG2-CD2 4.49Å; T67-F290 HydrophobicContact CG2-CE2 4.14Å; T67-M293 WeakPolarHBondContact OG1-CG 3.41Å; T67-F294 HydrophobicContact CG2-CD2 4.2Å; T67-W297 HydrophobicContact CG2-CE3 4.36Å; T67-L385 HydrophobicContact CG2-CD1 4.24Å; T67-L385 HydrophobicContact CG2-CD2 4.46Å
68R95.1Very high94.2Very high64 Ų6438.5 Ų38.524%0.24218%0.183CC..Hα-helixtrans-63.9-43.2178.9-70.9-178.4-177.3-68.4-7.1112.1E64 S65 V66 L70 V71 Q72 N382 D384 L385E64-R68 HydrophobicContact CG-CG 4.42Å; E64-R68 WeakPolarHBondContact O-CG 3.41Å; E64-R68 PolarHBondContact O-N 2.94Å; E64-R68 IonicContact OE1-CZ 2.99Å; E64-R68 VanDerWaalsContact OE1-CZ 3.24Å; E64-R68 IonicContact OE1-NE 2.75Å; E64-R68 PolarHBondContact OE1-NE 2.83Å; E64-R68 IonicContact OE1-NH2 3.68Å; E64-R68 PolarHBondContact OE1-NH2 3.1Å; S65-R68 PolarHBondContact O-N 2.92Å; V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 3.46Å; R68-L70 VanDerWaalsContact C-N 3.31Å; R68-L70 PolarHBondContact O-N 3.14Å; R68-V71 PolarHBondContact O-N 3.39Å; R68-Q72 WeakPolarHBondContact O-CB 3.42Å; R68-Q72 PolarHBondContact O-N 3.39Å; R68-N382 PolarHBondContact NH2-O 2.85Å; R68-D384 PolarHBondContact NH1-O 3.46Å; R68-L385 HydrophobicContact CG-CD2 4.48Å
69K95.8Very high93.8Very high97 Ų9735.3 Ų35.342%0.42217%0.17SC..Hα-helixtrans-59.2-42.7174.6-74.5170.4-172.9166.70111.9S65 V66 Q72 Y73 L139S65-K69 VanDerWaalsContact O-CG 3.27Å; S65-K69 WeakPolarHBondContact O-CG 3.41Å; S65-K69 PolarHBondContact O-N 3.41Å; S65-K69 WeakPolarHBondContact OG-CE 3.29Å; V66-K69 PolarHBondContact O-N 3.44Å; K69-Q72 PolarHBondContact O-N 3.21Å; K69-Y73 WeakPolarHBondContact O-CB 3.43Å; K69-Y73 PolarHBondContact O-N 3.28Å; K69-L139 HydrophobicContact CB-CD2 4.17Å
70L95.7Very high93.3Very high0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-62.2-48.5177.9-169.2159.8000110.8V66 T67 R68 Y73 F74 I135 L139 L286 N289 F290V66-L70 WeakPolarHBondContact O-CB 3.24Å; V66-L70 PolarHBondContact O-N 2.87Å; T67-L70 PolarHBondContact O-N 3.38Å; R68-L70 VanDerWaalsContact C-N 3.31Å; R68-L70 PolarHBondContact O-N 3.14Å; L70-Y73 PolarHBondContact O-N 3.48Å; L70-F74 WeakPolarHBondContact O-CB 3.3Å; L70-F74 PolarHBondContact O-N 3.05Å; L70-I135 HydrophobicContact CD1-CG2 4.31Å; L70-L139 HydrophobicContact CB-CD2 3.99Å; L70-L286 HydrophobicContact CD2-CD2 4.12Å; L70-L286 HydrophobicContact CG-CD2 4.08Å; L70-N289 HydrophobicContact CD1-CB 3.95Å; L70-F290 HydrophobicContact CD2-CB 3.7Å; L70-F290 HydrophobicContact CD2-CD2 4.3Å; L70-F290 HydrophobicContact CD2-CG 4.47Å
71V94.5Very high92.9Very high0 Ų044.9 Ų44.90%022%0.218CC..Hα-helixtrans-62.3-44178.31720000111.8T67 R68 Y73 F74 S75 L85 L89 F290 L385 T386T67-V71 WeakPolarHBondContact O-CG2 3.44Å; T67-V71 PolarHBondContact O-N 3.44Å; R68-V71 PolarHBondContact O-N 3.39Å; V71-Y73 PolarHBondContact O-N 3.41Å; V71-F74 PolarHBondContact O-N 2.95Å; V71-S75 PolarHBondContact O-N 3.14Å; V71-L85 HydrophobicContact CG1-CD2 4.16Å; V71-L89 HydrophobicContact CG1-CD1 3.84Å; V71-L89 HydrophobicContact CG2-CD1 4.04Å; V71-L89 HydrophobicContact CG2-CD2 3.92Å; V71-F290 HydrophobicContact CG2-CD2 3.72Å; V71-F290 HydrophobicContact CG2-CE2 3.61Å; V71-L385 HydrophobicContact CB-CB 4.29Å; V71-L385 HydrophobicContact CG1-CB 3.97Å; V71-L385 HydrophobicContact CG2-CB 4.07Å; V71-L385 HydrophobicContact CG2-CD1 3.91Å; V71-T386 HydrophobicContact CG1-CG2 4.08Å
72Q94.2Very high92.4Very high79 Ų7946.5 Ų46.537%0.36922%0.217SC..Hα-helixtrans-59-48.2177.2178.55731.500111R68 K69 F74 S75 E76R68-Q72 WeakPolarHBondContact O-CB 3.42Å; R68-Q72 PolarHBondContact O-N 3.39Å; K69-Q72 PolarHBondContact O-N 3.21Å; Q72-F74 VanDerWaalsContact C-N 3.32Å; Q72-F74 PolarHBondContact O-N 3.13Å; Q72-S75 WeakPolarHBondContact O-CB 2.93Å; Q72-S75 PolarHBondContact O-N 2.96Å; Q72-E76 PolarHBondContact NE2-OE1 2.73Å; Q72-E76 WeakPolarHBondContact O-CG 3.21Å; Q72-E76 PolarHBondContact O-N 2.86Å
73Y95.3Very high91.9Very high10 Ų1048.8 Ų48.84%0.03923%0.234CC..Hα-helixtrans-65.4-36.3177.9-172.4-120.5000112.5K69 L70 V71 S75 E76 I77 L139 T143 N147 L286K69-Y73 WeakPolarHBondContact O-CB 3.43Å; K69-Y73 PolarHBondContact O-N 3.28Å; L70-Y73 PolarHBondContact O-N 3.48Å; V71-Y73 PolarHBondContact O-N 3.41Å; Y73-S75 VanDerWaalsContact C-N 3.33Å; Y73-S75 PolarHBondContact O-N 3.22Å; Y73-E76 WeakPolarHBondContact O-CB 3.33Å; Y73-E76 PolarHBondContact O-N 2.67Å; Y73-I77 HydrophobicContact CD1-CD1 4.16Å; Y73-I77 HydrophobicContact CD1-CG1 4.42Å; Y73-I77 HydrophobicContact CD2-CG1 4.48Å; Y73-I77 HydrophobicContact CE1-CD1 3.39Å; Y73-I77 HydrophobicContact CE1-CG1 3.96Å; Y73-I77 HydrophobicContact CE2-CD1 4.21Å; Y73-I77 HydrophobicContact CE2-CG1 3.99Å; Y73-I77 VanDerWaalsContact CZ-CD1 3.43Å; Y73-I77 PolarHBondContact O-N 3.41Å; Y73-I77 WeakPolarHBondContact OH-CD1 3.44Å; Y73-L139 HydrophobicContact CD1-CD1 3.89Å; Y73-T143 HydrophobicContact CD2-CG2 3.99Å; Y73-T143 HydrophobicContact CE1-CG2 4.46Å; Y73-T143 WeakPolarHBondContact CE1-OG1 3.49Å; Y73-T143 HydrophobicContact CE2-CG2 3.62Å; Y73-T143 WeakPolarHBondContact OH-CA 3.39Å; Y73-N147 PolarHBondContact OH-OD1 3.36Å; Y73-L286 HydrophobicContact CD1-CD1 4.44Å; Y73-L286 HydrophobicContact CD1-CD2 4.16Å
74F94.9Very high91.5Very high0 Ų052.6 Ų52.60%025%0.25CS..Hα-helixtrans-62.9-42.1175.5-159174.2000111.2L70 V71 Q72 E76 I77 L78 L85 N88 L89 V283 L286 K287L70-F74 WeakPolarHBondContact O-CB 3.3Å; L70-F74 PolarHBondContact O-N 3.05Å; V71-F74 PolarHBondContact O-N 2.95Å; Q72-F74 VanDerWaalsContact C-N 3.32Å; Q72-F74 PolarHBondContact O-N 3.13Å; F74-E76 VanDerWaalsContact C-N 3.31Å; F74-E76 PolarHBondContact O-N 2.76Å; F74-I77 PolarHBondContact O-N 3.25Å; F74-L78 HydrophobicContact CD2-CD1 4.11Å; F74-L78 HydrophobicContact CD2-CG 4.02Å; F74-L78 HydrophobicContact CE2-CD1 4.12Å; F74-L78 HydrophobicContact CE2-CD2 4.11Å; F74-L78 HydrophobicContact CE2-CG 4.06Å; F74-L78 WeakPolarHBondContact O-CG 3.38Å; F74-L78 PolarHBondContact O-N 3.4Å; F74-L78 VanDerWaalsContact O-N 3.12Å; F74-L85 HydrophobicContact CB-CD1 4Å; F74-L85 HydrophobicContact CD1-CD1 4.25Å; F74-L85 HydrophobicContact CG-CD1 4.03Å; F74-N88 HydrophobicContact CE1-CB 3.76Å; F74-N88 HydrophobicContact CE2-CB 4.45Å; F74-N88 HydrophobicContact CZ-CB 3.59Å; F74-L89 HydrophobicContact CD1-CD2 3.94Å; F74-L89 HydrophobicContact CE1-CD2 4.41Å; F74-V283 HydrophobicContact CE2-CB 4.43Å; F74-V283 HydrophobicContact CE2-CG1 3.92Å; F74-V283 HydrophobicContact CE2-CG2 4.29Å; F74-V283 HydrophobicContact CZ-CG1 3.99Å; F74-L286 HydrophobicContact CB-CD1 4.18Å; F74-L286 HydrophobicContact CD1-CB 3.86Å; F74-L286 HydrophobicContact CD2-CB 4.24Å; F74-L286 HydrophobicContact CD2-CD1 3.77Å; F74-L286 HydrophobicContact CE1-CB 3.98Å; F74-L286 HydrophobicContact CE2-CB 4.36Å; F74-L286 HydrophobicContact CE2-CD1 4.32Å; F74-L286 HydrophobicContact CG-CB 4Å; F74-L286 HydrophobicContact CG-CD1 3.98Å; F74-L286 HydrophobicContact CZ-CB 4.22Å; F74-K287 HydrophobicContact CE1-CG 3.82Å; F74-K287 HydrophobicContact CZ-CG 3.73Å
75S93.3Very high91.2Very high20 Ų2050.8 Ų50.814%0.1424%0.242CC..Hα-helixtrans-59.8-39.6172.6-169.20000112.6V71 Q72 Y73 R82V71-S75 PolarHBondContact O-N 3.14Å; Q72-S75 WeakPolarHBondContact O-CB 2.93Å; Q72-S75 PolarHBondContact O-N 2.96Å; Y73-S75 VanDerWaalsContact C-N 3.33Å; Y73-S75 PolarHBondContact O-N 3.22Å; S75-R82 WeakPolarHBondContact O-CG 3.28Å; S75-R82 PolarHBondContact O-NE 3.31Å
76E92.1Very high90.6Very high76 Ų7654.2 Ų54.236%0.35525%0.249SC..Hα-helixtrans-66.9-39.7178.6-73.1170.3-163.100112.9Q72 Y73 F74 E79Q72-E76 PolarHBondContact NE2-OE1 2.73Å; Q72-E76 WeakPolarHBondContact O-CG 3.21Å; Q72-E76 PolarHBondContact O-N 2.86Å; Y73-E76 WeakPolarHBondContact O-CB 3.33Å; Y73-E76 PolarHBondContact O-N 2.67Å; F74-E76 VanDerWaalsContact C-N 3.31Å; F74-E76 PolarHBondContact O-N 2.76Å; E76-E79 PolarHBondContact O-N 3.01Å
77I92.1Very high90.1Very high5 Ų560.5 Ų60.53%0.02628%0.278CS..Hα-helixtrans-70.8-34.1179.1-73.7-157.5000112.5Y73 F74 E79 Y146 F279 L282 V283 L286Y73-I77 HydrophobicContact CD1-CD1 4.16Å; Y73-I77 HydrophobicContact CD1-CG1 4.42Å; Y73-I77 HydrophobicContact CD2-CG1 4.48Å; Y73-I77 HydrophobicContact CE1-CD1 3.39Å; Y73-I77 HydrophobicContact CE1-CG1 3.96Å; Y73-I77 HydrophobicContact CE2-CD1 4.21Å; Y73-I77 HydrophobicContact CE2-CG1 3.99Å; Y73-I77 VanDerWaalsContact CZ-CD1 3.43Å; Y73-I77 PolarHBondContact O-N 3.41Å; Y73-I77 WeakPolarHBondContact OH-CD1 3.44Å; F74-I77 PolarHBondContact O-N 3.25Å; I77-E79 PolarHBondContact O-N 3.12Å; I77-Y146 HydrophobicContact CD1-CD1 3.87Å; I77-Y146 HydrophobicContact CD1-CE1 4.09Å; I77-Y146 HydrophobicContact CD1-CG 4.44Å; I77-Y146 HydrophobicContact CG1-CD1 4.4Å; I77-Y146 HydrophobicContact CG1-CE1 4.36Å; I77-F279 HydrophobicContact CG2-CD2 3.79Å; I77-F279 HydrophobicContact CG2-CE2 3.4Å; I77-F279 HydrophobicContact CG2-CZ 4.4Å; I77-F279 WeakPolarHBondContact O-CE2 3.5Å; I77-L282 HydrophobicContact CD1-CD2 3.21Å; I77-L282 HydrophobicContact CD1-CG 3.72Å; I77-V283 HydrophobicContact CG2-CG2 4.23Å; I77-L286 HydrophobicContact CD1-CD1 4.24Å
78L90.3Very high89.7Confident10 Ų1061.6 Ų61.65%0.05228%0.284CS..Hα-helixtrans-66.9-15.8-179.6-72.8175.2000113.1F74 D80 Q81 L85F74-L78 HydrophobicContact CD2-CD1 4.11Å; F74-L78 HydrophobicContact CD2-CG 4.02Å; F74-L78 HydrophobicContact CE2-CD1 4.12Å; F74-L78 HydrophobicContact CE2-CD2 4.11Å; F74-L78 HydrophobicContact CE2-CG 4.06Å; F74-L78 WeakPolarHBondContact O-CG 3.38Å; F74-L78 PolarHBondContact O-N 3.4Å; F74-L78 VanDerWaalsContact O-N 3.12Å; L78-D80 PolarHBondContact O-N 3.18Å; L78-Q81 HydrophobicContact CB-CB 4.37Å; L78-Q81 WeakPolarHBondContact O-CB 3.3Å; L78-Q81 PolarHBondContact O-N 2.86Å; L78-L85 HydrophobicContact CD1-CB 4.16Å; L78-L85 HydrophobicContact CD1-CD1 4.08Å
79E85.4Confident89.4Confident65 Ų6558.7 Ų58.730%0.30427%0.273SS..G310 helixtrans46.6-104176.3-65.6179.2176.600112E76 I77 Q81 R82 K150E76-E79 PolarHBondContact O-N 3.01Å; I77-E79 PolarHBondContact O-N 3.12Å; E79-Q81 PolarHBondContact O-N 2.79Å; E79-R82 WeakPolarHBondContact O-CD 3.05Å; E79-R82 VanDerWaalsContact O-CG 3.29Å; E79-R82 WeakPolarHBondContact O-CG 3.2Å; E79-K150 VanDerWaalsContact OE1-CE 3.26Å; E79-K150 WeakPolarHBondContact OE1-CE 3.27Å; E79-K150 IonicContact OE1-NZ 3.52Å; E79-K150 PolarHBondContact OE1-NZ 3.23Å
80D82.5Confident89Confident159 Ų15957.9 Ų57.985%0.8527%0.271SS*.G310 helixtrans-74.4-10.2-179.4-59.1-36.2000114.1L78L78-D80 PolarHBondContact O-N 3.18Å
81Q85.5Confident88.4Confident93 Ų9357.9 Ų57.944%0.43527%0.271SS..G310 helixtrans-107.825.3-178.5-56.6-171.84.100112.9L78 E79 D83 K84L78-Q81 HydrophobicContact CB-CB 4.37Å; L78-Q81 WeakPolarHBondContact O-CB 3.3Å; L78-Q81 PolarHBondContact O-N 2.86Å; E79-Q81 PolarHBondContact O-N 2.79Å; Q81-D83 VanDerWaalsContact CA-OD1 3.3Å; Q81-D83 WeakPolarHBondContact CA-OD1 3.49Å; Q81-D83 PolarHBondContact O-N 2.76Å; Q81-K84 HydrophobicContact CB-CD 4.34Å; Q81-K84 WeakPolarHBondContact O-CB 3.47Å; Q81-K84 PolarHBondContact O-N 3.46Å
82R85.5Confident87.7Confident139 Ų13961.6 Ų61.653%0.52529%0.288SS..G310 helixtrans-59.3-29179.4-84172-178.2159.62.6113.5S75 E79 K84 L85S75-R82 WeakPolarHBondContact O-CG 3.28Å; S75-R82 PolarHBondContact O-NE 3.31Å; E79-R82 WeakPolarHBondContact O-CD 3.05Å; E79-R82 VanDerWaalsContact O-CG 3.29Å; E79-R82 WeakPolarHBondContact O-CG 3.2Å; R82-K84 PolarHBondContact O-N 3.44Å; R82-L85 VanDerWaalsContact O-CB 3.24Å; R82-L85 WeakPolarHBondContact O-CB 3.3Å; R82-L85 PolarHBondContact O-N 3.37Å; R82-L85 VanDerWaalsContact O-N 3.08Å
83D84.6Confident86.1Confident120 Ų12058.2 Ų58.264%0.64228%0.275SS*.G310 helixtrans-57.2-30.5172.861.7-47.3000112.4Q81 L85Q81-D83 VanDerWaalsContact CA-OD1 3.3Å; Q81-D83 WeakPolarHBondContact CA-OD1 3.49Å; Q81-D83 PolarHBondContact O-N 2.76Å; D83-L85 VanDerWaalsContact C-N 3.3Å; D83-L85 PolarHBondContact O-N 2.63Å
84K84.9Confident84.1Confident80 Ų8059.9 Ų59.935%0.34829%0.288SS..G310 helixtrans-83.70.9178.5-55.7-174.7-176.31760113.8Q81 R82 Y86 E87 N88Q81-K84 HydrophobicContact CB-CD 4.34Å; Q81-K84 WeakPolarHBondContact O-CB 3.47Å; Q81-K84 PolarHBondContact O-N 3.46Å; R82-K84 PolarHBondContact O-N 3.44Å; K84-Y86 PolarHBondContact O-N 3.11Å; K84-E87 WeakPolarHBondContact O-CB 3.35Å; K84-E87 PolarHBondContact O-N 3.39Å; K84-E87 VanDerWaalsContact O-N 3.15Å; K84-N88 PolarHBondContact O-N 3.4Å; K84-N88 PolarHBondContact O-ND2 3.04Å
85L88.6Confident81.8Confident4 Ų466 Ų662%0.02132%0.315CS..Hα-helixtrans-54-51.9-175.6177.364.3000111.5V71 F74 L78 R82 D83 E87 N88 L89 T386V71-L85 HydrophobicContact CG1-CD2 4.16Å; F74-L85 HydrophobicContact CB-CD1 4Å; F74-L85 HydrophobicContact CD1-CD1 4.25Å; F74-L85 HydrophobicContact CG-CD1 4.03Å; L78-L85 HydrophobicContact CD1-CB 4.16Å; L78-L85 HydrophobicContact CD1-CD1 4.08Å; R82-L85 VanDerWaalsContact O-CB 3.24Å; R82-L85 WeakPolarHBondContact O-CB 3.3Å; R82-L85 PolarHBondContact O-N 3.37Å; R82-L85 VanDerWaalsContact O-N 3.08Å; D83-L85 VanDerWaalsContact C-N 3.3Å; D83-L85 PolarHBondContact O-N 2.63Å; L85-E87 VanDerWaalsContact C-N 3.28Å; L85-E87 PolarHBondContact O-N 3.06Å; L85-N88 CarbonylContact O-C 3.6Å; L85-N88 WeakPolarHBondContact O-CA 3.32Å; L85-N88 WeakPolarHBondContact O-CB 3.49Å; L85-N88 PolarHBondContact O-N 2.96Å; L85-L89 HydrophobicContact CD1-CD1 4.3Å; L85-L89 HydrophobicContact CD1-CD2 4.23Å; L85-L89 HydrophobicContact CD1-CG 4.15Å; L85-L89 HydrophobicContact CG-CD1 4Å; L85-L89 HydrophobicContact CG-CG 4.21Å; L85-L89 WeakPolarHBondContact O-CG 3.43Å; L85-L89 PolarHBondContact O-N 3.4Å; L85-T386 HydrophobicContact CD2-CG2 3.54Å
86Y83.1Confident79.2Confident118 Ų11868 Ų6846%0.46333%0.328SS..Hα-helixtrans-63.8-30.3-178.4-74.2-79.2000113.6K84 N88 L89 T386K84-Y86 PolarHBondContact O-N 3.11Å; Y86-N88 PolarHBondContact O-N 3.48Å; Y86-L89 HydrophobicContact CD1-CD1 4.47Å; Y86-L89 PolarHBondContact O-N 3.38Å; Y86-T386 PolarHBondContact OH-OG1 3.14Å; Y86-T386 VanDerWaalsContact OH-OG1 3.1Å
87E84.5Confident76.7Confident132 Ų13273.2 Ų73.262%0.61734%0.344SS*.Hα-helixtrans-66-28.7172.7-57.4-180172.700111.8K84 L85K84-E87 WeakPolarHBondContact O-CB 3.35Å; K84-E87 PolarHBondContact O-N 3.39Å; K84-E87 VanDerWaalsContact O-N 3.15Å; L85-E87 VanDerWaalsContact C-N 3.28Å; L85-E87 PolarHBondContact O-N 3.06Å
88N86.5Confident74.3Confident23 Ų2381.9 Ų81.912%0.12338%0.377CS..Hα-helixtrans-87.4-21.4178.4-67.3-71.7000113.1F74 K84 L85 Y86 Q90 K287F74-N88 HydrophobicContact CE1-CB 3.76Å; F74-N88 HydrophobicContact CE2-CB 4.45Å; F74-N88 HydrophobicContact CZ-CB 3.59Å; K84-N88 PolarHBondContact O-N 3.4Å; K84-N88 PolarHBondContact O-ND2 3.04Å; L85-N88 CarbonylContact O-C 3.6Å; L85-N88 WeakPolarHBondContact O-CA 3.32Å; L85-N88 WeakPolarHBondContact O-CB 3.49Å; L85-N88 PolarHBondContact O-N 2.96Å; Y86-N88 PolarHBondContact O-N 3.48Å; N88-Q90 VanDerWaalsContact C-N 3.29Å; N88-Q90 PolarHBondContact O-N 3.49Å; N88-K287 WeakPolarHBondContact OD1-CE 3.43Å; N88-K287 PolarHBondContact OD1-NZ 2.77Å
89L88.8Confident71.8Confident2 Ų285.4 Ų85.41%0.0140%0.395CS..  trans-82.970.3178.2-63.6-176.7000111.3V71 F74 L85 Y86 I115 F290V71-L89 HydrophobicContact CG1-CD1 3.84Å; V71-L89 HydrophobicContact CG2-CD1 4.04Å; V71-L89 HydrophobicContact CG2-CD2 3.92Å; F74-L89 HydrophobicContact CD1-CD2 3.94Å; F74-L89 HydrophobicContact CE1-CD2 4.41Å; L85-L89 HydrophobicContact CD1-CD1 4.3Å; L85-L89 HydrophobicContact CD1-CD2 4.23Å; L85-L89 HydrophobicContact CD1-CG 4.15Å; L85-L89 HydrophobicContact CG-CD1 4Å; L85-L89 HydrophobicContact CG-CG 4.21Å; L85-L89 WeakPolarHBondContact O-CG 3.43Å; L85-L89 PolarHBondContact O-N 3.4Å; Y86-L89 HydrophobicContact CD1-CD1 4.47Å; Y86-L89 PolarHBondContact O-N 3.38Å; L89-I115 HydrophobicContact CB-CD1 4.15Å; L89-I115 HydrophobicContact CD1-CD1 4.48Å; L89-F290 VanDerWaalsContact C-CE1 3.46Å; L89-F290 HydrophobicContact CB-CD1 4.1Å; L89-F290 HydrophobicContact CB-CE1 3.64Å; L89-F290 HydrophobicContact CB-CZ 3.9Å; L89-F290 HydrophobicContact CD2-CB 4.47Å; L89-F290 HydrophobicContact CD2-CD1 3.93Å; L89-F290 HydrophobicContact CD2-CD2 3.75Å; L89-F290 HydrophobicContact CD2-CE1 4.12Å; L89-F290 HydrophobicContact CD2-CE2 3.95Å; L89-F290 HydrophobicContact CD2-CG 3.74Å; L89-F290 HydrophobicContact CD2-CZ 4.13Å; L89-F290 HydrophobicContact CG-CE1 4.42Å; L89-F290 HydrophobicContact CG-CZ 4.4Å
90Q87.6Confident69.7Low81 Ų8187 Ų8738%0.37941%0.409SS..  trans-104.8148.4176.3-63.4-174.6-31.600111.4N88 V112 E113 S291N88-Q90 VanDerWaalsContact C-N 3.29Å; N88-Q90 PolarHBondContact O-N 3.49Å; Q90-V112 HydrophobicContact CB-CB 4.18Å; Q90-V112 HydrophobicContact CB-CG1 4.33Å; Q90-E113 WeakPolarHBondContact CA-O 3.47Å; Q90-S291 WeakPolarHBondContact O-CB 3.3Å
91V83.4Confident68.1Low0 Ų082.7 Ų82.70%039%0.388CS..EExtended strand (participates in β ladder)trans-113.6130.4178.1-168.50000108.5G93 E113 I115 Y118 F290 F294V91-G93 PolarHBondContact O-N 2.91Å; V91-E113 PolarHBondContact N-O 2.93Å; V91-E113 PolarHBondContact O-N 3.12Å; V91-I115 HydrophobicContact CG2-CG1 4.44Å; V91-Y118 HydrophobicContact CB-CD2 3.9Å; V91-Y118 HydrophobicContact CB-CG 3.94Å; V91-Y118 HydrophobicContact CG1-CD1 4.04Å; V91-Y118 HydrophobicContact CG1-CD2 3.39Å; V91-Y118 HydrophobicContact CG1-CE1 4.18Å; V91-Y118 HydrophobicContact CG1-CE2 3.55Å; V91-Y118 HydrophobicContact CG1-CG 3.65Å; V91-Y118 HydrophobicContact CG2-CG 4.43Å; V91-F290 HydrophobicContact CG2-CE1 3.99Å; V91-F294 HydrophobicContact CG1-CD1 4.37Å; V91-F294 HydrophobicContact CG2-CB 4.24Å; V91-F294 HydrophobicContact CG2-CD1 3.61Å; V91-F294 HydrophobicContact CG2-CE1 4.34Å; V91-F294 HydrophobicContact CG2-CG 4.13Å
92Q78.1Confident66.4Low77 Ų7785.5 Ų85.536%0.3641%0.406SS..EExtended strand (participates in β ladder)trans-71.8122.5174-68.2-176.77.100109.4V112 S291Q92-V112 HydrophobicContact CG-CG1 4.34Å; Q92-S291 PolarHBondContact N-OG 3.29Å
93G61.2Low64.7Low8 Ų887.7 Ų87.78%0.08243%0.425CS..  trans-66.8153.9173.700000112.3V91 K95 P110 S111V91-G93 PolarHBondContact O-N 2.91Å; G93-K95 PolarHBondContact O-N 3.26Å; G93-K95 VanDerWaalsContact O-N 3.12Å; G93-P110 WeakPolarHBondContact O-CB 3.47Å; G93-S111 PolarHBondContact N-O 3.47Å
94S52.9Low62.8Low45 Ų4588 Ų8832%0.31542%0.422SS..SBendtrans-74.71.3-171.2-17.60000115Q123S94-Q123 PolarHBondContact OG-O 2.97Å
95K46.4Very low60.9Low129 Ų12989.4 Ų89.456%0.56143%0.433SS*.  trans-125.6113.3-174.4-77.6-177.9174158.10113.1G93 R97 Q123G93-K95 PolarHBondContact O-N 3.26Å; G93-K95 VanDerWaalsContact O-N 3.12Å; K95-R97 PolarHBondContact O-N 3.32Å; K95-Q123 VanDerWaalsContact CD-OE1 3.27Å
96C40Very low58.7Low61 Ų6194.4 Ų94.441%0.41245%0.454SS..  trans-64113.2147.5-88.90000108.3R98 T107 I108 P110C96-R98 PolarHBondContact O-N 3.37Å; C96-T107 HydrophobicContact CB-CG2 3.93Å; C96-I108 CarbonylContact C-O 3.52Å; C96-I108 WeakPolarHBondContact CA-O 3.29Å; C96-I108 VanDerWaalsContact CB-O 3.26Å; C96-I108 WeakPolarHBondContact CB-O 3.43Å; C96-I108 PolarHBondContact SG-O 3.42Å; C96-P110 VanDerWaalsContact SG-CD 3.56Å
97R39.7Very low56.7Low187 Ų18792.5 Ų92.571%0.70646%0.455SS*.EExtended strand (participates in β ladder)trans-73.6118.9168.4-80.5-175.5174-159.4-1107.9K95 L99 I108K95-R97 PolarHBondContact O-N 3.32Å; R97-L99 PolarHBondContact O-N 2.99Å; R97-I108 HydrophobicContact CB-CB 4.11Å; R97-I108 HydrophobicContact CB-CD1 4.02Å; R97-I108 HydrophobicContact CB-CG1 4.47Å; R97-I108 PolarHBondContact N-O 2.91Å; R97-I108 WeakPolarHBondContact O-CA 3.44Å; R97-I108 WeakPolarHBondContact O-CB 3.49Å; R97-I108 VanDerWaalsContact O-CG1 3.25Å; R97-I108 WeakPolarHBondContact O-CG1 3.46Å; R97-I108 PolarHBondContact O-N 2.94Å
98R39.7Very low55.1Low187 Ų18789.7 Ų89.771%0.70644%0.444SS*.EExtended strand (participates in β ladder)trans-79.3106.9164.7-69.8-177.3-169.7-179.44.6107.3C96 I105 F106C96-R98 PolarHBondContact O-N 3.37Å; R98-I105 HydrophobicContact CB-CG2 4.15Å; R98-I105 HydrophobicContact CG-CG2 4.06Å; R98-F106 CarbonylContact C-O 3.58Å; R98-F106 WeakPolarHBondContact CA-O 3.33Å
99L39.5Very low53.3Low83 Ų8396.7 Ų96.744%0.43547%0.473SS..EExtended strand (participates in β ladder)trans-86.5126.4167.9-132.785.3000107.1R97 V101 F106 I108R97-L99 PolarHBondContact O-N 2.99Å; L99-V101 HydrophobicContact CD2-CG2 3.68Å; L99-V101 HydrophobicContact CG-CG2 4.38Å; L99-F106 PolarHBondContact N-O 2.87Å; L99-F106 PolarHBondContact O-N 3.26Å; L99-I108 HydrophobicContact CB-CD1 3.72Å; L99-I108 HydrophobicContact CB-CG1 4.23Å; L99-I108 HydrophobicContact CD1-CD1 3.53Å; L99-I108 HydrophobicContact CD2-CD1 4.47Å; L99-I108 HydrophobicContact CG-CD1 4.09Å
100V41.2Very low51.7Low99 Ų9998.3 Ų98.360%0.648%0.484SS*.EExtended strand (participates in β ladder)trans-98.5113.4166.4-177.50000106.8Q104 I105V100-Q104 WeakPolarHBondContact CA-O 3.5Å; V100-I105 HydrophobicContact CG2-CG1 4.25Å
101V47.9Very low50.3Low68 Ų6897.5 Ų97.541%0.41249%0.487SS..EExtended strand (participates in β ladder)trans-120.6127.3169.6-1750000105.8L99 M103 Q104L99-V101 HydrophobicContact CD2-CG2 3.68Å; L99-V101 HydrophobicContact CG-CG2 4.38Å; V101-M103 PolarHBondContact O-N 3.27Å; V101-Q104 PolarHBondContact N-O 3.47Å; V101-Q104 PolarHBondContact O-N 3Å
102D50.7Low49.2Very low153 Ų153101.5 Ų101.582%0.81851%0.511SS*.THydrogen-bonded Turntrans46.452.3177.5-60.5-28.5000114.6Q104D102-Q104 PolarHBondContact O-N 3.45Å
103M49.6Very low49.1Very low185 Ų18599.7 Ų99.791%0.91150%0.503SS*.THydrogen-bonded Turntrans60.414.8177.2-68.1-89.8-71.900115.2V101V101-M103 PolarHBondContact O-N 3.27Å
104Q43.8Very low50Low125 Ų125103.9 Ų103.958%0.58452%0.523SS*.EExtended strand (participates in β ladder)trans-108.7133.3166.9-80.4-177.93.700111.1V100 V101 D102 F106V100-Q104 WeakPolarHBondContact CA-O 3.5Å; V101-Q104 PolarHBondContact N-O 3.47Å; V101-Q104 PolarHBondContact O-N 3Å; D102-Q104 PolarHBondContact O-N 3.45Å; Q104-F106 HydrophobicContact CB-CD2 4.38Å; Q104-F106 HydrophobicContact CB-CE2 3.89Å; Q104-F106 PolarHBondContact O-N 3.36Å
105I45.3Very low51.4Low111 Ų111102.5 Ų102.557%0.56951%0.512SS*.EExtended strand (participates in β ladder)trans-84.6107.5175.4-60.9173.3000108.2R98 V100R98-I105 HydrophobicContact CB-CG2 4.15Å; R98-I105 HydrophobicContact CG-CG2 4.06Å; V100-I105 HydrophobicContact CG2-CG1 4.25Å
106F42.9Very low53.2Low109 Ų10997.8 Ų97.848%0.47850%0.498SS..EExtended strand (participates in β ladder)trans-90.3118167.4-72.4-89.8000109.3R98 L99 Q104 I108R98-F106 CarbonylContact C-O 3.58Å; R98-F106 WeakPolarHBondContact CA-O 3.33Å; L99-F106 PolarHBondContact N-O 2.87Å; L99-F106 PolarHBondContact O-N 3.26Å; Q104-F106 HydrophobicContact CB-CD2 4.38Å; Q104-F106 HydrophobicContact CB-CE2 3.89Å; Q104-F106 PolarHBondContact O-N 3.36Å; F106-I108 PolarHBondContact O-N 2.94Å
107T41.4Very low55.3Low78 Ų7899 Ų9948%0.47950%0.497SS..EExtended strand (participates in β ladder)trans-77.7100.3168.6-56.60000108.1C96 F109C96-T107 HydrophobicContact CB-CG2 3.93Å; T107-F109 PolarHBondContact O-N 2.8Å
108I50.3Low57.3Low73 Ų7390.2 Ų90.237%0.37446%0.464SS..EExtended strand (participates in β ladder)trans-74.1118.7169.4-54.9175.3000106.4C96 R97 L99 F106C96-I108 CarbonylContact C-O 3.52Å; C96-I108 WeakPolarHBondContact CA-O 3.29Å; C96-I108 VanDerWaalsContact CB-O 3.26Å; C96-I108 WeakPolarHBondContact CB-O 3.43Å; C96-I108 PolarHBondContact SG-O 3.42Å; R97-I108 HydrophobicContact CB-CB 4.11Å; R97-I108 HydrophobicContact CB-CD1 4.02Å; R97-I108 HydrophobicContact CB-CG1 4.47Å; R97-I108 PolarHBondContact N-O 2.91Å; R97-I108 WeakPolarHBondContact O-CA 3.44Å; R97-I108 WeakPolarHBondContact O-CB 3.49Å; R97-I108 VanDerWaalsContact O-CG1 3.25Å; R97-I108 WeakPolarHBondContact O-CG1 3.46Å; R97-I108 PolarHBondContact O-N 2.94Å; L99-I108 HydrophobicContact CB-CD1 3.72Å; L99-I108 HydrophobicContact CB-CG1 4.23Å; L99-I108 HydrophobicContact CD1-CD1 3.53Å; L99-I108 HydrophobicContact CD2-CD1 4.47Å; L99-I108 HydrophobicContact CG-CD1 4.09Å; F106-I108 PolarHBondContact O-N 2.94Å
109F48.2Very low59.2Low169 Ų16981.3 Ų81.374%0.74143%0.43SS*.PPolyproline II helixtrans-53.4151173.9-68.7-81.2000111.2T107 S111T107-F109 PolarHBondContact O-N 2.8Å; F109-S111 PolarHBondContact O-N 3.35Å
110P54.6Low61.1Low37 Ų3778.4 Ų78.424%0.2442%0.416CS..PPolyproline II helixtrans-53.4133.2179.621.6-32.1000110.9G93 C96 V112G93-P110 WeakPolarHBondContact O-CB 3.47Å; C96-P110 VanDerWaalsContact SG-CD 3.56Å; P110-V112 PolarHBondContact O-N 3.45Å
111S58.5Low63.1Low64 Ų6479.2 Ų79.245%0.44841%0.411SS..PPolyproline II helixtrans-59.5130.7172.735.80000109G93 F109 E113G93-S111 PolarHBondContact N-O 3.47Å; F109-S111 PolarHBondContact O-N 3.35Å; S111-E113 PolarHBondContact OG-OE1 3.09Å
112V61.3Low64.8Low84 Ų8476.5 Ų76.551%0.50939%0.394SS..EExtended strand (participates in β ladder)trans-74.1123.1163.1-84.60000107.8Q90 Q92 P110Q90-V112 HydrophobicContact CB-CB 4.18Å; Q90-V112 HydrophobicContact CB-CG1 4.33Å; Q92-V112 HydrophobicContact CG-CG1 4.34Å; P110-V112 PolarHBondContact O-N 3.45Å
113E76Confident66.3Low39 Ų3973.1 Ų73.118%0.18237%0.373CS..EExtended strand (participates in β ladder)trans-116.2150.6-177.2-70.4167.1-166.500108.9Q90 V91 S111 H117Q90-E113 WeakPolarHBondContact CA-O 3.47Å; V91-E113 PolarHBondContact N-O 2.93Å; V91-E113 PolarHBondContact O-N 3.12Å; S111-E113 PolarHBondContact OG-OE1 3.09Å; E113-H117 HydrophobicContact CB-CB 4.34Å; E113-H117 IonicContact OE2-CD2 3.23Å; E113-H117 PolarHBondContact OE2-CD2 2.87Å
114D80.8Confident67.7Low96 Ų9667.3 Ų67.351%0.51334%0.341SS..  trans-69.8164.1168.569.941.4000110.6A116 H117 Y118D114-A116 VanDerWaalsContact C-N 3.3Å; D114-A116 PolarHBondContact O-N 2.97Å; D114-A116 PolarHBondContact OD1-N 3.24Å; D114-A116 VanDerWaalsContact OD1-N 3.11Å; D114-H117 PolarHBondContact O-N 3.38Å; D114-H117 VanDerWaalsContact OD1-CB 3.29Å; D114-H117 WeakPolarHBondContact OD1-CB 3.43Å; D114-H117 PolarHBondContact OD1-N 3.34Å; D114-Y118 PolarHBondContact O-N 3.5Å
115I82.3Confident69.4Low15 Ų1563.5 Ų63.58%0.07733%0.325CS..Hα-helixtrans-56.9-44.3-177.1-62.6171.9000111.4L89 V91 Y118 V119 F290 F294 T383 L385L89-I115 HydrophobicContact CB-CD1 4.15Å; L89-I115 HydrophobicContact CD1-CD1 4.48Å; V91-I115 HydrophobicContact CG2-CG1 4.44Å; I115-Y118 PolarHBondContact O-N 3.26Å; I115-V119 HydrophobicContact CG2-CG2 4.5Å; I115-V119 WeakPolarHBondContact O-CG2 3.46Å; I115-V119 PolarHBondContact O-N 3.48Å; I115-F290 HydrophobicContact CD1-CE1 4.27Å; I115-F290 HydrophobicContact CD1-CZ 3.64Å; I115-F290 HydrophobicContact CG1-CE1 4.16Å; I115-F290 HydrophobicContact CG1-CZ 3.89Å; I115-F294 HydrophobicContact CG2-CE1 3.78Å; I115-F294 HydrophobicContact CG2-CE2 3.8Å; I115-F294 HydrophobicContact CG2-CZ 3.32Å; I115-T383 HydrophobicContact CG2-CG2 3.67Å; I115-L385 HydrophobicContact CD1-CD1 3.92Å
116A82.8Confident70.7Confident31 Ų3164.1 Ų64.126%0.25633%0.334SS..Hα-helixtrans-66.2-42.8-175.600000111.7Y5 D114 V119 T120Y5-A116 WeakPolarHBondContact OH-CB 3.5Å; D114-A116 VanDerWaalsContact C-N 3.3Å; D114-A116 PolarHBondContact O-N 2.97Å; D114-A116 PolarHBondContact OD1-N 3.24Å; D114-A116 VanDerWaalsContact OD1-N 3.11Å; A116-V119 PolarHBondContact O-N 2.91Å; A116-T120 WeakPolarHBondContact O-CB 3.47Å; A116-T120 VanDerWaalsContact O-CG2 3.3Å; A116-T120 WeakPolarHBondContact O-CG2 3.26Å; A116-T120 PolarHBondContact O-N 3.4Å; A116-T120 PolarHBondContact O-OG1 3.35Å
117H83.8Confident72Confident85 Ų8563 Ų6339%0.39435%0.345SS..Hα-helixtrans-62.2-46175.8-16592.3000110.8E113 D114 V119 T120 K121E113-H117 HydrophobicContact CB-CB 4.34Å; E113-H117 IonicContact OE2-CD2 3.23Å; E113-H117 PolarHBondContact OE2-CD2 2.87Å; D114-H117 PolarHBondContact O-N 3.38Å; D114-H117 VanDerWaalsContact OD1-CB 3.29Å; D114-H117 WeakPolarHBondContact OD1-CB 3.43Å; D114-H117 PolarHBondContact OD1-N 3.34Å; H117-V119 PolarHBondContact O-N 3.47Å; H117-T120 PolarHBondContact O-N 3.44Å; H117-T120 PolarHBondContact O-OG1 3.39Å; H117-K121 WeakPolarHBondContact O-CB 3.28Å; H117-K121 PolarHBondContact O-N 3.47Å
118Y82.1Confident73.3Confident4 Ų461 Ų612%0.01633%0.33CS..Hα-helixtrans-59.8-45.1179.1-176.3-89.2000112.3V91 D114 I115 F122 F294 S295 I298V91-Y118 HydrophobicContact CB-CD2 3.9Å; V91-Y118 HydrophobicContact CB-CG 3.94Å; V91-Y118 HydrophobicContact CG1-CD1 4.04Å; V91-Y118 HydrophobicContact CG1-CD2 3.39Å; V91-Y118 HydrophobicContact CG1-CE1 4.18Å; V91-Y118 HydrophobicContact CG1-CE2 3.55Å; V91-Y118 HydrophobicContact CG1-CG 3.65Å; V91-Y118 HydrophobicContact CG2-CG 4.43Å; D114-Y118 PolarHBondContact O-N 3.5Å; I115-Y118 PolarHBondContact O-N 3.26Å; Y118-F122 HydrophobicContact CE1-CD2 4.27Å; Y118-F122 WeakPolarHBondContact O-CA 3.42Å; Y118-F122 PolarHBondContact O-N 2.91Å; Y118-F294 AromaticContact CD1-CD1 3.99Å; Y118-F294 HydrophobicContact CD1-CD1 3.99Å; Y118-F294 AromaticContact CD1-CE1 3.85Å; Y118-F294 HydrophobicContact CD1-CE1 3.85Å; Y118-F294 HydrophobicContact CE1-CD1 4.35Å; Y118-F294 HydrophobicContact CE1-CE1 4.47Å; Y118-S295 WeakPolarHBondContact OH-CA 3.29Å; Y118-S295 WeakPolarHBondContact OH-CB 3.45Å; Y118-S295 PolarHBondContact OH-OG 3.46Å; Y118-I298 HydrophobicContact CD1-CG1 4.32Å; Y118-I298 HydrophobicContact CE1-CB 4.1Å; Y118-I298 HydrophobicContact CE1-CG1 4Å; Y118-I298 HydrophobicContact CE1-CG2 4.41Å
119V79.4Confident73.9Confident0 Ų067.2 Ų67.20%035%0.35CS..Hα-helixtrans-66.7-43.6178.7-173.50000111.3I115 A116 H117 K121 F294 I298 L323 I381 T383I115-V119 HydrophobicContact CG2-CG2 4.5Å; I115-V119 WeakPolarHBondContact O-CG2 3.46Å; I115-V119 PolarHBondContact O-N 3.48Å; A116-V119 PolarHBondContact O-N 2.91Å; H117-V119 PolarHBondContact O-N 3.47Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.05Å; V119-F294 HydrophobicContact CG2-CE1 3.72Å; V119-F294 HydrophobicContact CG2-CZ 3.63Å; V119-I298 HydrophobicContact CG2-CD1 3.99Å; V119-I298 HydrophobicContact CG2-CG1 4.41Å; V119-L323 HydrophobicContact CB-CD2 4.46Å; V119-L323 HydrophobicContact CG1-CD1 3.93Å; V119-L323 HydrophobicContact CG1-CD2 3.63Å; V119-L323 HydrophobicContact CG1-CG 4.42Å; V119-I381 HydrophobicContact CG1-CD1 4.15Å; V119-T383 HydrophobicContact CG2-CG2 4.08Å
120T81.1Confident74.5Confident21 Ų2160.7 Ų60.713%0.12932%0.324CS..Hα-helixtrans-74.6-21.1-177.157.20000114.1Y5 A116 H117 L323Y5-T120 HydrophobicContact CE1-CG2 3.81Å; A116-T120 WeakPolarHBondContact O-CB 3.47Å; A116-T120 VanDerWaalsContact O-CG2 3.3Å; A116-T120 WeakPolarHBondContact O-CG2 3.26Å; A116-T120 PolarHBondContact O-N 3.4Å; A116-T120 PolarHBondContact O-OG1 3.35Å; H117-T120 PolarHBondContact O-N 3.44Å; H117-T120 PolarHBondContact O-OG1 3.39Å; T120-L323 HydrophobicContact CG2-CD2 4.02Å
121K82.5Confident75.7Confident117 Ų11765.6 Ų65.651%0.50934%0.344SS..THydrogen-bonded Turntrans-117.623.9178.8-61.4-62.1-175.5-177.80113.2H117 V119 Q123H117-K121 WeakPolarHBondContact O-CB 3.28Å; H117-K121 PolarHBondContact O-N 3.47Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.05Å; K121-Q123 PolarHBondContact O-N 3.37Å
122F83.1Confident77.1Confident11 Ų1162.6 Ų62.65%0.04832%0.323CS..  trans-46.1132.8-178.5173.8-101.7000112.4F36 Y118 W124 I298 H299 A302F36-F122 HydrophobicContact CD1-CD1 4.37Å; F36-F122 HydrophobicContact CD2-CB 4.16Å; F36-F122 HydrophobicContact CD2-CD1 4.27Å; F36-F122 HydrophobicContact CD2-CG 4.5Å; F36-F122 AromaticContact CE1-CD1 3.66Å; F36-F122 HydrophobicContact CE1-CD1 3.66Å; F36-F122 AromaticContact CE1-CE1 3.82Å; F36-F122 HydrophobicContact CE1-CE1 3.82Å; F36-F122 HydrophobicContact CE1-CG 4.49Å; F36-F122 HydrophobicContact CE2-CB 3.57Å; F36-F122 AromaticContact CE2-CD1 3.55Å; F36-F122 HydrophobicContact CE2-CD1 3.55Å; F36-F122 HydrophobicContact CE2-CE1 4.39Å; F36-F122 AromaticContact CE2-CG 3.62Å; F36-F122 HydrophobicContact CE2-CG 3.62Å; F36-F122 HydrophobicContact CZ-CB 4.12Å; F36-F122 AromaticContact CZ-CD1 3.19Å; F36-F122 HydrophobicContact CZ-CD1 3.19Å; F36-F122 HydrophobicContact CZ-CD2 4.35Å; F36-F122 AromaticContact CZ-CE1 3.6Å; F36-F122 HydrophobicContact CZ-CE1 3.6Å; F36-F122 AromaticContact CZ-CG 3.62Å; F36-F122 HydrophobicContact CZ-CG 3.62Å; F36-F122 HydrophobicContact CZ-CZ 4.31Å; Y118-F122 HydrophobicContact CE1-CD2 4.27Å; Y118-F122 WeakPolarHBondContact O-CA 3.42Å; Y118-F122 PolarHBondContact O-N 2.91Å; F122-W124 HydrophobicContact CE1-CB 4.45Å; F122-W124 HydrophobicContact CE1-CE3 4.46Å; F122-W124 HydrophobicContact CZ-CE3 4.15Å; F122-I298 HydrophobicContact CD2-CB 4.29Å; F122-I298 HydrophobicContact CD2-CG2 3.35Å; F122-I298 HydrophobicContact CE2-CB 4.31Å; F122-I298 HydrophobicContact CE2-CG2 3.64Å; F122-I298 HydrophobicContact CG-CG2 3.98Å; F122-I298 HydrophobicContact CZ-CG2 4.47Å; F122-H299 AromaticContact CE2-CE1 3.55Å; F122-H299 AromaticContact CE2-ND1 3.62Å; F122-H299 AromaticContact CZ-CE1 3.99Å; F122-A302 HydrophobicContact CE1-CB 3.98Å; F122-A302 HydrophobicContact CZ-CB 4.04Å
123Q81.5Confident78.6Confident81 Ų8163.3 Ų63.338%0.37933%0.328SS..  trans-131.6126.3173.3-74.1174.850.900109.1S94 K95 K121 D125S94-Q123 PolarHBondContact OG-O 2.97Å; K95-Q123 VanDerWaalsContact CD-OE1 3.27Å; K121-Q123 PolarHBondContact O-N 3.37Å; Q123-D125 PolarHBondContact O-N 2.91Å
124W80.4Confident79.4Confident64 Ų6466.4 Ų66.424%0.24234%0.342CS..  trans-59.1133.4178.1-178-88.6000112.1P39 L41 F122 H299 A302 L303P39-W124 HydrophobicContact CG-CB 3.89Å; P39-W124 HydrophobicContact CG-CD2 3.73Å; P39-W124 HydrophobicContact CG-CE3 4.41Å; P39-W124 HydrophobicContact CG-CG 3.44Å; P39-W124 VanDerWaalsContact CG-CG 3.44Å; L41-W124 HydrophobicContact CD1-CH2 4.26Å; L41-W124 HydrophobicContact CD2-CH2 4.39Å; L41-W124 HydrophobicContact CD2-CZ2 3.86Å; F122-W124 HydrophobicContact CE1-CB 4.45Å; F122-W124 HydrophobicContact CE1-CE3 4.46Å; F122-W124 HydrophobicContact CZ-CE3 4.15Å; W124-H299 AromaticContact CE3-CD2 3.88Å; W124-H299 AromaticContact CZ3-CD2 3.98Å; W124-A302 HydrophobicContact CE3-CB 4.21Å; W124-A302 HydrophobicContact CZ3-CB 4Å; W124-L303 HydrophobicContact CH2-CD1 4.27Å; W124-L303 HydrophobicContact CH2-CD2 3.59Å; W124-L303 HydrophobicContact CH2-CG 3.73Å; W124-L303 HydrophobicContact CZ3-CD2 4.2Å; W124-L303 HydrophobicContact CZ3-CG 4.08Å
125D79.5Confident80Confident44 Ų4462.4 Ų62.424%0.23532%0.321CS..  trans-124.4111.8175.1-176.4-6000110Q123 A127 K128 H299Q123-D125 PolarHBondContact O-N 2.91Å; D125-A127 PolarHBondContact O-N 3.46Å; D125-A127 WeakPolarHBondContact OD1-CB 3.24Å; D125-A127 PolarHBondContact OD1-N 3.23Å; D125-K128 HydrophobicContact CB-CB 4.36Å; D125-K128 HydrophobicContact CB-CG 3.76Å; D125-K128 PolarHBondContact O-N 2.93Å; D125-K128 WeakPolarHBondContact OD2-CG 3.2Å; D125-H299 PolarHBondContact N-NE2 2.92Å; D125-H299 PolarHBondContact O-NE2 3.28Å
126T72.4Confident80.6Confident124 Ų12462 Ų6276%0.76132%0.319SS*.THydrogen-bonded Turntrans-64.8-21.2-179.6-47.70000112.9K128T126-K128 VanDerWaalsContact C-N 3.31Å
127A70.3Confident81.2Confident87 Ų8762.8 Ų62.872%0.71933%0.325SS*.THydrogen-bonded Turntrans-79.3-15.1178.700000113.1D125 Y129D125-A127 PolarHBondContact O-N 3.46Å; D125-A127 WeakPolarHBondContact OD1-CB 3.24Å; D125-A127 PolarHBondContact OD1-N 3.23Å; A127-Y129 PolarHBondContact O-N 2.83Å
128K67.8Low81.8Confident36 Ų3661.4 Ų61.416%0.15732%0.321CS..  trans-84.178.9-177.9-67.4-80.8-179.3169.60110.5D125 T126 E292D125-K128 HydrophobicContact CB-CB 4.36Å; D125-K128 HydrophobicContact CB-CG 3.76Å; D125-K128 PolarHBondContact O-N 2.93Å; D125-K128 WeakPolarHBondContact OD2-CG 3.2Å; T126-K128 VanDerWaalsContact C-N 3.31Å; K128-E292 IonicContact NZ-OE1 2.79Å; K128-E292 PolarHBondContact NZ-OE1 3.48Å; K128-E292 IonicContact NZ-OE2 3.2Å; K128-E292 PolarHBondContact NZ-OE2 3.47Å
129Y62.8Low82.5Confident203 Ų20361.6 Ų61.680%0.79632%0.322SS*.  trans-83.7133163.3-139-94.2000109.7A127 Q131A127-Y129 PolarHBondContact O-N 2.83Å; Y129-Q131 PolarHBondContact O-N 2.86Å
130P62.5Low83.4Confident31 Ų3167 Ų6720%0.20135%0.345CS..  trans-65.798.9-172.820.4-29.7000112.2L59 V132 A296 V300L59-P130 HydrophobicContact CD2-CB 4.48Å; L59-P130 HydrophobicContact CD2-CG 3.91Å; P130-V132 HydrophobicContact CB-CG2 3.64Å; P130-V132 PolarHBondContact O-N 2.86Å; P130-V132 VanDerWaalsContact O-N 3.1Å; P130-A296 HydrophobicContact CB-CB 4.24Å; P130-V300 HydrophobicContact CB-CG2 4.39Å; P130-V300 HydrophobicContact CG-CG2 4.33Å
131Q79.4Confident84.1Confident141 Ų14169.7 Ų69.766%0.65937%0.365SS*.  trans-81.737.1170.9-61.6-174.629.900112Y129 T133 Q134 I135Y129-Q131 PolarHBondContact O-N 2.86Å; Q131-T133 VanDerWaalsContact C-N 3.31Å; Q131-T133 PolarHBondContact O-N 3.43Å; Q131-Q134 PolarHBondContact O-N 3.08Å; Q131-I135 WeakPolarHBondContact O-CG1 3.44Å; Q131-I135 PolarHBondContact O-N 3.17Å
132V87.7Confident84.8Confident1 Ų167.8 Ų67.81%0.00636%0.357CS..Hα-helixtrans-56.2-45.9-171.8-171.30000111.5L59 Y62 A63 V66 P130 Q134 I135 D136 M293L59-V132 HydrophobicContact CD1-CG2 4.04Å; Y62-V132 HydrophobicContact CD1-CB 4.19Å; Y62-V132 HydrophobicContact CD1-CG1 3.56Å; Y62-V132 HydrophobicContact CE1-CB 4.04Å; Y62-V132 HydrophobicContact CE1-CG1 3.5Å; Y62-V132 HydrophobicContact CG-CG1 4.41Å; A63-V132 HydrophobicContact CB-CG1 4.35Å; A63-V132 HydrophobicContact CB-CG2 4.24Å; V66-V132 HydrophobicContact CB-CG1 4.1Å; V66-V132 HydrophobicContact CG1-CG1 4.43Å; V66-V132 HydrophobicContact CG2-CG1 3.91Å; P130-V132 HydrophobicContact CB-CG2 3.64Å; P130-V132 PolarHBondContact O-N 2.86Å; P130-V132 VanDerWaalsContact O-N 3.1Å; V132-Q134 PolarHBondContact O-N 3.01Å; V132-I135 PolarHBondContact O-N 3.16Å; V132-D136 PolarHBondContact O-N 3.39Å; V132-M293 HydrophobicContact CB-CE 3.91Å; V132-M293 HydrophobicContact CB-SD 4.22Å; V132-M293 HydrophobicContact CG1-CE 3.81Å; V132-M293 HydrophobicContact CG1-SD 3.75Å; V132-M293 HydrophobicContact CG2-CE 3.44Å; V132-M293 VanDerWaalsContact CG2-CE 3.44Å; V132-M293 HydrophobicContact CG2-SD 4.4Å
133T91.6Very high85.4Confident99 Ų9968.7 Ų68.761%0.60736%0.364SS*.Hα-helixtrans-64.5-39.4-175-48.30000112.3Q131 D136 A137Q131-T133 VanDerWaalsContact C-N 3.31Å; Q131-T133 PolarHBondContact O-N 3.43Å; T133-D136 PolarHBondContact O-N 2.92Å; T133-A137 WeakPolarHBondContact O-CB 3.39Å; T133-A137 PolarHBondContact O-N 3.15Å
134Q92.6Very high86.1Confident103 Ų10369.7 Ų69.748%0.48138%0.375SS..Hα-helixtrans-68.3-44.8178.6-177.158.539.700110.6Q131 V132 D136 A137 D138Q131-Q134 PolarHBondContact O-N 3.08Å; V132-Q134 PolarHBondContact O-N 3.01Å; Q134-D136 VanDerWaalsContact C-N 3.33Å; Q134-D136 PolarHBondContact O-N 3.21Å; Q134-A137 PolarHBondContact O-N 3.34Å; Q134-D138 VanDerWaalsContact NE2-CG 3.26Å; Q134-D138 PolarHBondContact NE2-OD1 2.93Å; Q134-D138 VanDerWaalsContact NE2-OD1 3.11Å; Q134-D138 PolarHBondContact NE2-OD2 3.41Å; Q134-D138 WeakPolarHBondContact O-CB 3.49Å; Q134-D138 PolarHBondContact O-N 3.12Å
135I93.4Very high86.8Confident13 Ų1370 Ų707%0.06739%0.387CS..Hα-helixtrans-61.6-41.2177.3-63.5175.4000110.9L70 Q131 V132 D138 L139 W285 N289 E292 M293L70-I135 HydrophobicContact CD1-CG2 4.31Å; Q131-I135 WeakPolarHBondContact O-CG1 3.44Å; Q131-I135 PolarHBondContact O-N 3.17Å; V132-I135 PolarHBondContact O-N 3.16Å; I135-D138 PolarHBondContact O-N 3.49Å; I135-L139 VanDerWaalsContact O-CB 3.23Å; I135-L139 WeakPolarHBondContact O-CB 3.4Å; I135-L139 PolarHBondContact O-N 2.67Å; I135-W285 HydrophobicContact CG2-CH2 4.36Å; I135-N289 HydrophobicContact CG2-CB 4.04Å; I135-E292 HydrophobicContact CD1-CB 4.1Å; I135-M293 HydrophobicContact CD1-SD 4.44Å
136D95.6Very high87.5Confident7 Ų768.2 Ų68.24%0.03738%0.377CS..Hα-helixtrans-63.2-43.5176.4-174.637.4000112.2Y62 V66 V132 T133 Q134 L139 K140Y62-D136 WeakPolarHBondContact OH-CB 3.31Å; Y62-D136 PolarHBondContact OH-OD2 3.3Å; V66-D136 HydrophobicContact CG1-CB 3.94Å; V66-D136 HydrophobicContact CG2-CB 3.76Å; V132-D136 PolarHBondContact O-N 3.39Å; T133-D136 PolarHBondContact O-N 2.92Å; Q134-D136 VanDerWaalsContact C-N 3.33Å; Q134-D136 PolarHBondContact O-N 3.21Å; D136-L139 PolarHBondContact O-N 2.84Å; D136-K140 WeakPolarHBondContact O-CG 3.41Å; D136-K140 PolarHBondContact O-N 3.02Å; D136-K140 VanDerWaalsContact O-N 3.1Å; D136-K140 VanDerWaalsContact OD1-CE 3.28Å; D136-K140 WeakPolarHBondContact OD1-CE 2.78Å; D136-K140 IonicContact OD1-NZ 2.73Å; D136-K140 WeakPolarHBondContact OD2-CE 3.43Å; D136-K140 IonicContact OD2-NZ 2.72Å; D136-K140 PolarHBondContact OD2-NZ 3.48Å
137A96.3Very high88.6Confident47 Ų4764.5 Ų64.539%0.38835%0.353SS..Hα-helixtrans-63.5-46176.800000112T133 Q134 K140 S141T133-A137 WeakPolarHBondContact O-CB 3.39Å; T133-A137 PolarHBondContact O-N 3.15Å; Q134-A137 PolarHBondContact O-N 3.34Å; A137-K140 PolarHBondContact O-N 3.43Å; A137-S141 PolarHBondContact O-N 2.73Å
138D96.5Very high89.8Confident55 Ų5562.9 Ų62.929%0.29434%0.339SS..Hα-helixtrans-66.1-38.3178.6-73.3-25.6000111.9Q134 I135 K140 S141 K142 W285Q134-D138 VanDerWaalsContact NE2-CG 3.26Å; Q134-D138 PolarHBondContact NE2-OD1 2.93Å; Q134-D138 VanDerWaalsContact NE2-OD1 3.11Å; Q134-D138 PolarHBondContact NE2-OD2 3.41Å; Q134-D138 WeakPolarHBondContact O-CB 3.49Å; Q134-D138 PolarHBondContact O-N 3.12Å; I135-D138 PolarHBondContact O-N 3.49Å; D138-K140 PolarHBondContact O-N 2.95Å; D138-S141 PolarHBondContact O-N 3.2Å; D138-K142 WeakPolarHBondContact O-CB 3.47Å; D138-K142 WeakPolarHBondContact O-CG 3.26Å; D138-K142 PolarHBondContact O-N 3.01Å; D138-W285 HydrophobicContact CB-CH2 4.06Å; D138-W285 HydrophobicContact CB-CZ2 3.54Å
139L97Very high91.1Very high8 Ų862.5 Ų62.54%0.04234%0.339CS..Hα-helixtrans-59.4-47174.4177.663.5000110.7K69 L70 Y73 I135 D136 S141 K142 T143 W285 L286K69-L139 HydrophobicContact CB-CD2 4.17Å; L70-L139 HydrophobicContact CB-CD2 3.99Å; Y73-L139 HydrophobicContact CD1-CD1 3.89Å; I135-L139 VanDerWaalsContact O-CB 3.23Å; I135-L139 WeakPolarHBondContact O-CB 3.4Å; I135-L139 PolarHBondContact O-N 2.67Å; D136-L139 PolarHBondContact O-N 2.84Å; L139-S141 PolarHBondContact O-N 3.42Å; L139-K142 PolarHBondContact O-N 3.45Å; L139-T143 WeakPolarHBondContact O-CB 3.37Å; L139-T143 PolarHBondContact O-N 3.34Å; L139-T143 PolarHBondContact O-OG1 3.49Å; L139-W285 HydrophobicContact CB-CH2 4.04Å; L139-W285 HydrophobicContact CB-CZ3 4.31Å; L139-W285 HydrophobicContact CD1-CZ3 4.09Å; L139-L286 HydrophobicContact CD1-CD2 4Å
140K97Very high92.5Very high113 Ų11356.1 Ų56.149%0.49132%0.315SS..Hα-helixtrans-61.6-43.5177.7-71.8168.9-168.5158.20112.2D136 A137 D138 T143 T144D136-K140 WeakPolarHBondContact O-CG 3.41Å; D136-K140 PolarHBondContact O-N 3.02Å; D136-K140 VanDerWaalsContact O-N 3.1Å; D136-K140 VanDerWaalsContact OD1-CE 3.28Å; D136-K140 WeakPolarHBondContact OD1-CE 2.78Å; D136-K140 IonicContact OD1-NZ 2.73Å; D136-K140 WeakPolarHBondContact OD2-CE 3.43Å; D136-K140 IonicContact OD2-NZ 2.72Å; D136-K140 PolarHBondContact OD2-NZ 3.48Å; A137-K140 PolarHBondContact O-N 3.43Å; D138-K140 PolarHBondContact O-N 2.95Å; K140-T143 PolarHBondContact O-N 2.68Å; K140-T144 WeakPolarHBondContact O-CB 3.43Å; K140-T144 PolarHBondContact O-N 3.2Å; K140-T144 PolarHBondContact O-OG1 3.02Å
141S96.8Very high94.1Very high78 Ų7859.8 Ų59.855%0.54533%0.333SS..Hα-helixtrans-62.8-49.9178.6-179.90000111.5A137 D138 L139 T143 T144 S145A137-S141 PolarHBondContact O-N 2.73Å; D138-S141 PolarHBondContact O-N 3.2Å; L139-S141 PolarHBondContact O-N 3.42Å; S141-T143 VanDerWaalsContact C-N 3.34Å; S141-T143 PolarHBondContact O-N 3.01Å; S141-T144 PolarHBondContact O-N 3.06Å; S141-S145 PolarHBondContact O-N 2.97Å
142K95.7Very high94.8Very high77 Ų7755.9 Ų55.934%0.33532%0.321SS..Hα-helixtrans-63.1-40.9177.9-72-179.6-172.4-58.70112.2D138 L139 S145 Y146 L282 W285D138-K142 WeakPolarHBondContact O-CB 3.47Å; D138-K142 WeakPolarHBondContact O-CG 3.26Å; D138-K142 PolarHBondContact O-N 3.01Å; L139-K142 PolarHBondContact O-N 3.45Å; K142-S145 PolarHBondContact O-N 3.34Å; K142-Y146 WeakPolarHBondContact O-CB 3.37Å; K142-Y146 PolarHBondContact O-N 3.35Å; K142-L282 HydrophobicContact CB-CD1 4Å; K142-L282 HydrophobicContact CD-CD1 4.08Å; K142-L282 HydrophobicContact CG-CD1 4.5Å; K142-W285 HydrophobicContact CD-CD2 3.48Å; K142-W285 VanDerWaalsContact CD-CD2 3.48Å; K142-W285 HydrophobicContact CD-CE3 3.66Å; K142-W285 HydrophobicContact CD-CG 3.95Å; K142-W285 HydrophobicContact CD-CH2 4.29Å; K142-W285 HydrophobicContact CD-CZ2 4.14Å; K142-W285 HydrophobicContact CD-CZ3 4.06Å; K142-W285 VanDerWaalsContact CE-CD1 3.5Å; K142-W285 VanDerWaalsContact CE-CD2 3.43Å; K142-W285 VanDerWaalsContact CE-NE1 3.3Å
143T96.1Very high95Very high31 Ų3156.4 Ų56.419%0.1932%0.324CS..Hα-helixtrans-57.9-50175.8-61.90000111.1Y73 L139 K140 S141 S145 N147Y73-T143 HydrophobicContact CD2-CG2 3.99Å; Y73-T143 HydrophobicContact CE1-CG2 4.46Å; Y73-T143 WeakPolarHBondContact CE1-OG1 3.49Å; Y73-T143 HydrophobicContact CE2-CG2 3.62Å; Y73-T143 WeakPolarHBondContact OH-CA 3.39Å; L139-T143 WeakPolarHBondContact O-CB 3.37Å; L139-T143 PolarHBondContact O-N 3.34Å; L139-T143 PolarHBondContact O-OG1 3.49Å; K140-T143 PolarHBondContact O-N 2.68Å; S141-T143 VanDerWaalsContact C-N 3.34Å; S141-T143 PolarHBondContact O-N 3.01Å; T143-S145 PolarHBondContact O-N 3.35Å; T143-N147 WeakPolarHBondContact CG2-ND2 3.1Å; T143-N147 WeakPolarHBondContact O-CB 3.45Å; T143-N147 PolarHBondContact O-N 2.99Å; T143-N147 PolarHBondContact O-ND2 2.73Å
144T96.5Very high95Very high101 Ų10153.7 Ų53.762%0.6231%0.309SS*.Hα-helixtrans-61.6-46.8179.9-56.40000111.5K140 S141 A148K140-T144 WeakPolarHBondContact O-CB 3.43Å; K140-T144 PolarHBondContact O-N 3.2Å; K140-T144 PolarHBondContact O-OG1 3.02Å; S141-T144 PolarHBondContact O-N 3.06Å; T144-A148 WeakPolarHBondContact O-CB 3.2Å; T144-A148 PolarHBondContact O-N 3.47Å
145S94.7Very high94.8Very high70 Ų7051.2 Ų51.249%0.4931%0.306SS..Hα-helixtrans-64.1-49.7-178.3179.90000112.6S141 K142 T143 A148 L149S141-S145 PolarHBondContact O-N 2.97Å; K142-S145 PolarHBondContact O-N 3.34Å; T143-S145 PolarHBondContact O-N 3.35Å; S145-A148 PolarHBondContact O-N 2.82Å; S145-L149 PolarHBondContact O-N 2.91Å
146Y96Very high94.5Very high8 Ų853.4 Ų53.43%0.03132%0.317CS..Hα-helixtrans-68.3-39.9-178.5-171.6-97.3000111.9I77 K142 A148 L149 K150 K275 Q278 F279 L282I77-Y146 HydrophobicContact CD1-CD1 3.87Å; I77-Y146 HydrophobicContact CD1-CE1 4.09Å; I77-Y146 HydrophobicContact CD1-CG 4.44Å; I77-Y146 HydrophobicContact CG1-CD1 4.4Å; I77-Y146 HydrophobicContact CG1-CE1 4.36Å; K142-Y146 WeakPolarHBondContact O-CB 3.37Å; K142-Y146 PolarHBondContact O-N 3.35Å; Y146-A148 VanDerWaalsContact C-N 3.33Å; Y146-A148 PolarHBondContact O-N 3.18Å; Y146-L149 WeakPolarHBondContact O-CB 3.48Å; Y146-L149 PolarHBondContact O-N 2.93Å; Y146-K150 PolarHBondContact O-N 3.03Å; Y146-K275 HydrophobicContact CE2-CG 4.16Å; Y146-K275 WeakPolarHBondContact OH-CE 3.4Å; Y146-Q278 HydrophobicContact CD2-CB 4.03Å; Y146-Q278 HydrophobicContact CE2-CB 4.22Å; Y146-F279 HydrophobicContact CE2-CB 4.32Å; Y146-F279 WeakPolarHBondContact OH-CD2 3.38Å; Y146-L282 HydrophobicContact CD1-CD2 3.99Å; Y146-L282 HydrophobicContact CD2-CD2 3.57Å; Y146-L282 HydrophobicContact CE2-CD2 4.24Å; Y146-L282 HydrophobicContact CG-CD2 3.43Å; Y146-L282 VanDerWaalsContact CG-CD2 3.43Å
147N95.2Very high94Very high46 Ų4657.7 Ų57.725%0.24634%0.337CS..Hα-helixtrans-68.4-31.5177.9-70-9.4000112.3Y73 T143 L149 K150 N151Y73-N147 PolarHBondContact OH-OD1 3.36Å; T143-N147 WeakPolarHBondContact CG2-ND2 3.1Å; T143-N147 WeakPolarHBondContact O-CB 3.45Å; T143-N147 PolarHBondContact O-N 2.99Å; T143-N147 PolarHBondContact O-ND2 2.73Å; N147-L149 VanDerWaalsContact C-N 3.33Å; N147-L149 PolarHBondContact O-N 2.75Å; N147-K150 PolarHBondContact O-N 3.42Å; N147-N151 VanDerWaalsContact O-CB 3.28Å; N147-N151 WeakPolarHBondContact O-CB 3.46Å; N147-N151 PolarHBondContact O-N 3.42Å; N147-N151 PolarHBondContact O-ND2 2.94Å
148A95.2Very high93.5Very high52 Ų5264.3 Ų64.343%0.4335%0.352SS..Hα-helixtrans-62.1-40.317300000112.3T144 S145 Y146 S152T144-A148 WeakPolarHBondContact O-CB 3.2Å; T144-A148 PolarHBondContact O-N 3.47Å; S145-A148 PolarHBondContact O-N 2.82Å; Y146-A148 VanDerWaalsContact C-N 3.33Å; Y146-A148 PolarHBondContact O-N 3.18Å; A148-S152 WeakPolarHBondContact O-CB 3.47Å; A148-S152 PolarHBondContact O-N 3.23Å; A148-S152 PolarHBondContact O-OG 3.1Å
149L93.8Very high92.7Very high29 Ų2968.2 Ų68.215%0.15237%0.367CS..Hα-helixtrans-65-47.7173.7-69.9171.2000111.1S145 Y146 N147 N151 S152 L153 L271 E274 Q278S145-L149 PolarHBondContact O-N 2.91Å; Y146-L149 WeakPolarHBondContact O-CB 3.48Å; Y146-L149 PolarHBondContact O-N 2.93Å; N147-L149 VanDerWaalsContact C-N 3.33Å; N147-L149 PolarHBondContact O-N 2.75Å; L149-N151 VanDerWaalsContact C-N 3.34Å; L149-N151 PolarHBondContact O-N 3.48Å; L149-S152 PolarHBondContact O-N 2.74Å; L149-L153 WeakPolarHBondContact O-CB 3.35Å; L149-L153 PolarHBondContact O-N 3.11Å; L149-L271 HydrophobicContact CD2-CD2 4.02Å; L149-E274 HydrophobicContact CD1-CG 3.97Å; L149-E274 HydrophobicContact CD2-CG 4.21Å; L149-Q278 HydrophobicContact CD1-CG 4.16Å
150K93.9Very high91.9Very high68 Ų6868.7 Ų68.730%0.29637%0.372SS..Hα-helixtrans-58.8-44.5178.2-178172.7171.1167.50112E79 Y146 N147 L153 S154E79-K150 VanDerWaalsContact OE1-CE 3.26Å; E79-K150 WeakPolarHBondContact OE1-CE 3.27Å; E79-K150 IonicContact OE1-NZ 3.52Å; E79-K150 PolarHBondContact OE1-NZ 3.23Å; Y146-K150 PolarHBondContact O-N 3.03Å; N147-K150 PolarHBondContact O-N 3.42Å; K150-L153 PolarHBondContact O-N 3.17Å; K150-S154 WeakPolarHBondContact O-CB 3.44Å; K150-S154 PolarHBondContact O-N 3.47Å
151N94.7Very high91Very high108 Ų10868.1 Ų68.158%0.57838%0.378SS*.Hα-helixtrans-67.5-42.7179.6-70.3-16.3000111.9N147 L149 L153 S154 A155N147-N151 VanDerWaalsContact O-CB 3.28Å; N147-N151 WeakPolarHBondContact O-CB 3.46Å; N147-N151 PolarHBondContact O-N 3.42Å; N147-N151 PolarHBondContact O-ND2 2.94Å; L149-N151 VanDerWaalsContact C-N 3.34Å; L149-N151 PolarHBondContact O-N 3.48Å; N151-L153 VanDerWaalsContact C-N 3.34Å; N151-L153 PolarHBondContact O-N 3.34Å; N151-S154 PolarHBondContact O-N 3.34Å; N151-A155 WeakPolarHBondContact O-CB 3.49Å; N151-A155 PolarHBondContact O-N 3.28Å
152S93.9Very high90.2Very high59 Ų5966.4 Ų66.441%0.41337%0.372SS..Hα-helixtrans-60.5-44.2175.8-60.80000111.6A148 L149 A155 L156A148-S152 WeakPolarHBondContact O-CB 3.47Å; A148-S152 PolarHBondContact O-N 3.23Å; A148-S152 PolarHBondContact O-OG 3.1Å; L149-S152 PolarHBondContact O-N 2.74Å; S152-A155 PolarHBondContact O-N 3.42Å; S152-L156 PolarHBondContact O-N 3Å
153L92.5Very high89.9Confident12 Ų1264.7 Ų64.76%0.06337%0.37CS..Hα-helixtrans-65.9-46178-17265.2000111.7L149 K150 N151 A155 L156 E157 R268 L271 A272 K275L149-L153 WeakPolarHBondContact O-CB 3.35Å; L149-L153 PolarHBondContact O-N 3.11Å; K150-L153 PolarHBondContact O-N 3.17Å; N151-L153 VanDerWaalsContact C-N 3.34Å; N151-L153 PolarHBondContact O-N 3.34Å; L153-A155 VanDerWaalsContact C-N 3.28Å; L153-A155 PolarHBondContact O-N 3.02Å; L153-L156 WeakPolarHBondContact O-CB 3.29Å; L153-L156 PolarHBondContact O-N 3.31Å; L153-L156 VanDerWaalsContact O-N 3.09Å; L153-E157 WeakPolarHBondContact O-CG 3.38Å; L153-E157 PolarHBondContact O-N 3Å; L153-R268 HydrophobicContact CD1-CG 4.18Å; L153-L271 HydrophobicContact CD1-CB 4.25Å; L153-A272 HydrophobicContact CD1-CB 4.14Å; L153-A272 HydrophobicContact CD2-CB 4.31Å; L153-K275 HydrophobicContact CD2-CD 3.93Å
154S91.1Very high89.8Confident42 Ų4263.3 Ų63.329%0.29436%0.361SS..Hα-helixtrans-61.5-36.3177.6-173.40000112.3K150 N151 L156 E157 R158K150-S154 WeakPolarHBondContact O-CB 3.44Å; K150-S154 PolarHBondContact O-N 3.47Å; N151-S154 PolarHBondContact O-N 3.34Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 2.89Å; S154-E157 PolarHBondContact O-N 3Å; S154-R158 WeakPolarHBondContact O-CB 3.39Å; S154-R158 WeakPolarHBondContact O-CG 3.41Å; S154-R158 PolarHBondContact O-N 3.48Å
155A89.3Confident89.5Confident52 Ų5261.4 Ų61.443%0.4335%0.347SS..Hα-helixtrans-64-37174.900000112.5N151 S152 L153 K159N151-A155 WeakPolarHBondContact O-CB 3.49Å; N151-A155 PolarHBondContact O-N 3.28Å; S152-A155 PolarHBondContact O-N 3.42Å; L153-A155 VanDerWaalsContact C-N 3.28Å; L153-A155 PolarHBondContact O-N 3.02Å; A155-K159 PolarHBondContact O-N 2.87Å
156L86.1Confident89.3Confident58 Ų5863.1 Ų63.130%0.30436%0.355SS..Hα-helixtrans-70-43.2173.6-67.9176.4000111.8S152 L153 S154 R158 K159 A160 R268 L271S152-L156 PolarHBondContact O-N 3Å; L153-L156 WeakPolarHBondContact O-CB 3.29Å; L153-L156 PolarHBondContact O-N 3.31Å; L153-L156 VanDerWaalsContact O-N 3.09Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 2.89Å; L156-R158 VanDerWaalsContact C-N 3.33Å; L156-R158 PolarHBondContact O-N 2.86Å; L156-K159 PolarHBondContact O-N 3.05Å; L156-K159 VanDerWaalsContact O-N 3.12Å; L156-A160 PolarHBondContact O-N 3.47Å; L156-R268 HydrophobicContact CD1-CB 4.16Å; L156-R268 HydrophobicContact CD1-CG 4.41Å; L156-L271 HydrophobicContact CD1-CD1 3.67Å
157E86.1Confident89Confident97 Ų9765 Ų6545%0.45336%0.363SS..Hα-helixtrans-62.3-38.5178.3-71.6171.5168.200112.3L153 S154 K159 A160 T161L153-E157 WeakPolarHBondContact O-CG 3.38Å; L153-E157 PolarHBondContact O-N 3Å; S154-E157 PolarHBondContact O-N 3Å; E157-K159 VanDerWaalsContact C-N 3.29Å; E157-K159 PolarHBondContact O-N 3.37Å; E157-A160 CarbonylContact O-C 3.54Å; E157-A160 PolarHBondContact O-N 3.45Å; E157-A160 VanDerWaalsContact O-N 3.12Å; E157-T161 PolarHBondContact O-N 3.29Å; E157-T161 PolarHBondContact O-OG1 3.45Å
158R84.6Confident88.6Confident187 Ų18766.2 Ų66.271%0.70637%0.37SS*.Hα-helixtrans-62.5-33.8173.8-76.2-179.7-176.3-159.60.9112.9S154 L156 A160 T161S154-R158 WeakPolarHBondContact O-CB 3.39Å; S154-R158 WeakPolarHBondContact O-CG 3.41Å; S154-R158 PolarHBondContact O-N 3.48Å; L156-R158 VanDerWaalsContact C-N 3.33Å; L156-R158 PolarHBondContact O-N 2.86Å; R158-A160 VanDerWaalsContact C-N 3.32Å; R158-T161 WeakPolarHBondContact CA-OG1 3.18Å; R158-T161 PolarHBondContact O-N 2.88Å
159K81.2Confident88.4Confident137 Ų13763.9 Ų63.960%0.59635%0.35SS*.Hα-helixtrans-71.4-30.3174.5-69.7-179.7179.1-176.70112A155 L156 E157 T161 D168A155-K159 PolarHBondContact O-N 2.87Å; L156-K159 PolarHBondContact O-N 3.05Å; L156-K159 VanDerWaalsContact O-N 3.12Å; E157-K159 VanDerWaalsContact C-N 3.29Å; E157-K159 PolarHBondContact O-N 3.37Å; K159-T161 VanDerWaalsContact C-N 3.35Å; K159-D168 PolarHBondContact O-N 3.43Å
160A79.2Confident88.1Confident18 Ų1864.2 Ų64.215%0.14936%0.355CS..Hα-helixtrans-78.9-17.2175.700000113.4L156 E157 R158 K167L156-A160 PolarHBondContact O-N 3.47Å; E157-A160 CarbonylContact O-C 3.54Å; E157-A160 PolarHBondContact O-N 3.45Å; E157-A160 VanDerWaalsContact O-N 3.12Å; R158-A160 VanDerWaalsContact C-N 3.32Å; A160-K167 WeakPolarHBondContact O-CD 3.41Å; A160-K167 WeakPolarHBondContact O-CE 3.49Å; A160-K167 PolarHBondContact O-NZ 3.04Å
161T77.8Confident87.8Confident101 Ų10166.5 Ų66.562%0.6237%0.367SS*.SBendtrans-116.2107.3-175.552.10000110.5E157 R158 K159E157-T161 PolarHBondContact O-N 3.29Å; E157-T161 PolarHBondContact O-OG1 3.45Å; R158-T161 WeakPolarHBondContact CA-OG1 3.18Å; R158-T161 PolarHBondContact O-N 2.88Å; K159-T161 VanDerWaalsContact C-N 3.35Å
162G80.3Confident87.5Confident41 Ų4162.5 Ų62.542%0.42335%0.345SS..SBendtrans172.9176.6-178.100000111.8K167G162-K167 WeakPolarHBondContact O-CD 3.39Å
163S90.2Very high87.5Confident41 Ų4160.1 Ų60.129%0.28733%0.328SS..  trans-63.5153.2170.5168.70000110.7L165 T166 K167S163-L165 PolarHBondContact O-N 3.36Å; S163-L165 PolarHBondContact OG-N 3.41Å; S163-T166 PolarHBondContact O-N 2.91Å; S163-K167 WeakPolarHBondContact O-CB 3.45Å; S163-K167 PolarHBondContact O-N 3.17Å
164L93Very high87.6Confident2 Ų266.2 Ų66.21%0.0135%0.354CS..THydrogen-bonded Turntrans-49.2-22.6172-75.2171.6000114.6T166 L169 I172 V191 Y220 D222 N225 L227 R252L164-T166 VanDerWaalsContact C-N 3.32Å; L164-T166 PolarHBondContact O-N 3.25Å; L164-L169 HydrophobicContact CD2-CD2 4.26Å; L164-I172 HydrophobicContact CD2-CD1 3.67Å; L164-V191 HydrophobicContact CB-CG1 4.14Å; L164-V191 HydrophobicContact CB-CG2 4.13Å; L164-Y220 HydrophobicContact CD1-CD1 4.2Å; L164-Y220 HydrophobicContact CD2-CD1 3.86Å; L164-Y220 HydrophobicContact CD2-CE1 4.45Å; L164-Y220 HydrophobicContact CG-CD1 4.36Å; L164-D222 HydrophobicContact CD1-CB 4.24Å; L164-D222 HydrophobicContact CG-CB 4.33Å; L164-D222 VanDerWaalsContact CG-OD2 3.31Å; L164-D222 WeakPolarHBondContact CG-OD2 3.43Å; L164-D222 PolarHBondContact N-OD2 2.93Å; L164-N225 HydrophobicContact CD1-CB 4.14Å; L164-N225 WeakPolarHBondContact CD1-O 3.34Å; L164-L227 HydrophobicContact CD1-CB 4.03Å; L164-L227 HydrophobicContact CD2-CB 4.07Å; L164-L227 HydrophobicContact CD2-CD2 4.37Å; L164-R252 PolarHBondContact O-NE 2.97Å; L164-R252 VanDerWaalsContact O-NE 3.14Å
165L91.2Very high87.7Confident61 Ų6169.1 Ų69.132%0.31936%0.361SS..THydrogen-bonded Turntrans-66.8-26.8176-66.7175.9000114.6S163 V191 I250 R252S163-L165 PolarHBondContact O-N 3.36Å; S163-L165 PolarHBondContact OG-N 3.41Å; L165-V191 HydrophobicContact CD2-CB 3.92Å; L165-V191 HydrophobicContact CD2-CG1 3.6Å; L165-V191 HydrophobicContact CD2-CG2 4.39Å; L165-V191 HydrophobicContact CG-CG1 4.18Å; L165-I250 HydrophobicContact CD2-CB 4.08Å; L165-I250 HydrophobicContact CD2-CD1 3.46Å; L165-I250 VanDerWaalsContact CD2-CD1 3.46Å; L165-I250 HydrophobicContact CD2-CG1 4.31Å; L165-I250 HydrophobicContact CD2-CG2 4.16Å; L165-R252 PolarHBondContact O-NH1 3.36Å
166T89.1Confident87.9Confident106 Ų10671 Ų7165%0.6537%0.371SS*.THydrogen-bonded Turntrans-131.1-23.3-174.855.80000113.3S163 L164 R252S163-T166 PolarHBondContact O-N 2.91Å; L164-T166 VanDerWaalsContact C-N 3.32Å; L164-T166 PolarHBondContact O-N 3.25Å; T166-R252 PolarHBondContact O-NH2 3.02Å
167K89.7Confident88.4Confident47 Ų4769.5 Ų69.520%0.20436%0.363CS..SBendtrans-58.2141.8-179.6178.9166.5174.6150.50112.4A160 G162 S163 L169 I172 R252A160-K167 WeakPolarHBondContact O-CD 3.41Å; A160-K167 WeakPolarHBondContact O-CE 3.49Å; A160-K167 PolarHBondContact O-NZ 3.04Å; G162-K167 WeakPolarHBondContact O-CD 3.39Å; S163-K167 WeakPolarHBondContact O-CB 3.45Å; S163-K167 PolarHBondContact O-N 3.17Å; K167-L169 WeakPolarHBondContact O-CD2 3.28Å; K167-L169 PolarHBondContact O-N 2.81Å; K167-I172 HydrophobicContact CD-CD1 4.4Å; K167-R252 PolarHBondContact O-NH2 2.88Å
168D87.6Confident88.8Confident73 Ų7365.7 Ų65.739%0.3935%0.345SS..  trans-60.8121.4168.8-173.4-4.9000110.2K159 S170K159-D168 PolarHBondContact O-N 3.43Å; D168-S170 VanDerWaalsContact C-N 3.31Å; D168-S170 WeakPolarHBondContact OD1-CB 3.48Å; D168-S170 PolarHBondContact OD1-N 3.38Å; D168-S170 PolarHBondContact OD1-OG 3.18Å
169L91.9Very high89.3Confident2 Ų260.5 Ų60.51%0.0133%0.331CS..G310 helixtrans-85.8-6-175.5-54.7-179.5000112.4L164 K167 E171 I172 V173 L189 L227 R252 F254L164-L169 HydrophobicContact CD2-CD2 4.26Å; K167-L169 WeakPolarHBondContact O-CD2 3.28Å; K167-L169 PolarHBondContact O-N 2.81Å; L169-E171 PolarHBondContact O-N 2.92Å; L169-E171 VanDerWaalsContact O-N 3.13Å; L169-I172 HydrophobicContact CD2-CD1 4.13Å; L169-I172 PolarHBondContact O-N 3.45Å; L169-V173 HydrophobicContact CB-CG1 4.22Å; L169-V173 WeakPolarHBondContact O-CG2 3.43Å; L169-V173 PolarHBondContact O-N 2.82Å; L169-L189 HydrophobicContact CD1-CD1 3.54Å; L169-L227 HydrophobicContact CD1-CD1 4.17Å; L169-L227 HydrophobicContact CD1-CD2 4.35Å; L169-L227 HydrophobicContact CD2-CD1 4.45Å; L169-L227 HydrophobicContact CD2-CD2 4.01Å; L169-R252 HydrophobicContact CD1-CB 3.97Å; L169-R252 HydrophobicContact CD1-CG 4.08Å; L169-F254 HydrophobicContact CB-CD2 3.97Å; L169-F254 HydrophobicContact CB-CE2 3.95Å; L169-F254 HydrophobicContact CD1-CB 4.38Å; L169-F254 HydrophobicContact CD1-CD2 4.35Å; L169-F254 HydrophobicContact CD1-CG 4.42Å
170S87.7Confident89.8Confident37 Ų3756.9 Ų56.926%0.25932%0.317SS..G310 helixtrans-57.7-27.7-175.7-58.30000114.4D168D168-S170 VanDerWaalsContact C-N 3.31Å; D168-S170 WeakPolarHBondContact OD1-CB 3.48Å; D168-S170 PolarHBondContact OD1-N 3.38Å; D168-S170 PolarHBondContact OD1-OG 3.18Å
171E85.6Confident90.3Very high116 Ų11664.2 Ų64.254%0.54235%0.354SS..G310 helixtrans-92-10176.2-64.9-164.5149.400113.8L169 R268L169-E171 PolarHBondContact O-N 2.92Å; L169-E171 VanDerWaalsContact O-N 3.13Å; E171-R268 IonicContact OE1-CZ 2.76Å; E171-R268 IonicContact OE1-NH1 2.77Å; E171-R268 PolarHBondContact OE1-NH1 3.48Å; E171-R268 IonicContact OE1-NH2 2.71Å; E171-R268 PolarHBondContact OE1-NH2 3.43Å; E171-R268 IonicContact OE2-NH1 3.54Å
172I90.4Very high91Very high24 Ų2460.8 Ų60.812%0.12333%0.334CS..THydrogen-bonded Turntrans-96.2-45.7-176.2-60.9179.1000110.4L164 K167 L169 Y220 L227L164-I172 HydrophobicContact CD2-CD1 3.67Å; K167-I172 HydrophobicContact CD-CD1 4.4Å; L169-I172 HydrophobicContact CD2-CD1 4.13Å; L169-I172 PolarHBondContact O-N 3.45Å; I172-Y220 HydrophobicContact CD1-CD1 4.26Å; I172-Y220 HydrophobicContact CD1-CG 4.41Å; I172-Y220 HydrophobicContact CG2-CD2 4.14Å; I172-Y220 HydrophobicContact CG2-CG 3.81Å; I172-L227 HydrophobicContact CG2-CD2 3.97Å
173V93.6Very high91.7Very high9 Ų965.6 Ų65.66%0.05535%0.346CS..  trans-88.7150.6-170.9-53.50000111.9L169 F178 L189 L219 L227 F254 Y256L169-V173 HydrophobicContact CB-CG1 4.22Å; L169-V173 WeakPolarHBondContact O-CG2 3.43Å; L169-V173 PolarHBondContact O-N 2.82Å; V173-F178 HydrophobicContact CB-CE2 3.67Å; V173-F178 HydrophobicContact CB-CZ 3.83Å; V173-F178 HydrophobicContact CG1-CE2 4.46Å; V173-F178 HydrophobicContact CG1-CZ 4.15Å; V173-F178 HydrophobicContact CG2-CE2 3.71Å; V173-F178 HydrophobicContact CG2-CZ 3.81Å; V173-L189 HydrophobicContact CG1-CD1 3.81Å; V173-L189 HydrophobicContact CG1-CD2 4.44Å; V173-L219 HydrophobicContact CG1-CD1 4.16Å; V173-L227 HydrophobicContact CG1-CD2 4.17Å; V173-F254 HydrophobicContact CG2-CE1 3.72Å; V173-F254 HydrophobicContact CG2-CZ 3.65Å; V173-Y256 HydrophobicContact CG2-CD2 4.04Å; V173-Y256 HydrophobicContact CG2-CE2 4.32Å
174K93.7Very high91.9Very high139 Ų13970.3 Ų70.360%0.60436%0.358SS*.  trans-120.7158.9-179.8-59.9174.1-173.5172.40110.3S176 D177 F178K174-S176 PolarHBondContact O-N 2.95Å; K174-S176 VanDerWaalsContact O-N 3.13Å; K174-D177 PolarHBondContact N-OD2 3.37Å; K174-D177 WeakPolarHBondContact O-CB 3.45Å; K174-D177 PolarHBondContact O-N 2.83Å; K174-F178 VanDerWaalsContact O-CD2 3.28Å; K174-F178 WeakPolarHBondContact O-CD2 3.39Å; K174-F178 WeakPolarHBondContact O-CE2 3.39Å
175K93.8Very high92.1Very high104 Ų10472.3 Ų72.345%0.45237%0.369SS..G310 helixtrans-49.7-40.3173.6-168.4171.8-174.5158.10113.1D177 F178 L180 Y256 E258K175-D177 PolarHBondContact O-N 3.22Å; K175-F178 PolarHBondContact O-N 3.31Å; K175-L180 HydrophobicContact CD-CD1 4.41Å; K175-L180 HydrophobicContact CG-CD1 3.8Å; K175-Y256 VanDerWaalsContact CA-CZ 3.48Å; K175-Y256 WeakPolarHBondContact CA-OH 3.35Å; K175-Y256 HydrophobicContact CB-CE1 4.08Å; K175-Y256 WeakPolarHBondContact CB-OH 3.23Å; K175-Y256 HydrophobicContact CG-CE1 4.07Å; K175-Y256 PolarHBondContact N-OH 3.31Å; K175-E258 IonicContact NZ-OE2 2.74Å; K175-E258 PolarHBondContact NZ-OE2 2.82Å
176S94Very high92.4Very high90 Ų9071.2 Ų71.263%0.62936%0.363SS*.G310 helixtrans-65-15.6-18055.20000114.5K174 F178K174-S176 PolarHBondContact O-N 2.95Å; K174-S176 VanDerWaalsContact O-N 3.13Å; S176-F178 VanDerWaalsContact C-N 3.3Å
177D95.2Very high92.7Very high27 Ų2766.6 Ų66.614%0.14433%0.334CS..G310 helixtrans-84.2-10.3-177.4-55-28.4000111.8K174 K175 T187 L219K174-D177 PolarHBondContact N-OD2 3.37Å; K174-D177 WeakPolarHBondContact O-CB 3.45Å; K174-D177 PolarHBondContact O-N 2.83Å; K175-D177 PolarHBondContact O-N 3.22Å; D177-T187 WeakPolarHBondContact O-CG2 3.34Å; D177-L219 HydrophobicContact CB-CD1 4.01Å; D177-L219 HydrophobicContact CB-CD2 4.02Å
178F95.9Very high93.1Very high18 Ų1864.8 Ų64.88%0.07933%0.327CS..SBendtrans-121.3141.8-175.1-56.6-94.1000112.4V173 K174 K175 S176 L180 T187 L189 F254 Y256V173-F178 HydrophobicContact CB-CE2 3.67Å; V173-F178 HydrophobicContact CB-CZ 3.83Å; V173-F178 HydrophobicContact CG1-CE2 4.46Å; V173-F178 HydrophobicContact CG1-CZ 4.15Å; V173-F178 HydrophobicContact CG2-CE2 3.71Å; V173-F178 HydrophobicContact CG2-CZ 3.81Å; K174-F178 VanDerWaalsContact O-CD2 3.28Å; K174-F178 WeakPolarHBondContact O-CD2 3.39Å; K174-F178 WeakPolarHBondContact O-CE2 3.39Å; K175-F178 PolarHBondContact O-N 3.31Å; S176-F178 VanDerWaalsContact C-N 3.3Å; F178-L180 HydrophobicContact CB-CD2 3.82Å; F178-L180 HydrophobicContact CB-CG 4.36Å; F178-L180 PolarHBondContact O-N 3.32Å; F178-T187 HydrophobicContact CD1-CG2 4.14Å; F178-L189 HydrophobicContact CE1-CD1 4.27Å; F178-L189 HydrophobicContact CE1-CD2 4.03Å; F178-L189 HydrophobicContact CE1-CG 4.11Å; F178-L189 HydrophobicContact CZ-CD1 4.04Å; F178-L189 HydrophobicContact CZ-CD2 4.04Å; F178-L189 HydrophobicContact CZ-CG 4.28Å; F178-F254 HydrophobicContact CE1-CD1 4.08Å; F178-F254 HydrophobicContact CE1-CE1 4.19Å; F178-F254 HydrophobicContact CE2-CE1 4.44Å; F178-F254 AromaticContact CZ-CD1 3.95Å; F178-F254 HydrophobicContact CZ-CD1 3.95Å; F178-F254 AromaticContact CZ-CE1 3.69Å; F178-F254 HydrophobicContact CZ-CE1 3.69Å; F178-Y256 HydrophobicContact CD2-CD1 4.39Å; F178-Y256 AromaticContact CD2-CD2 3.45Å; F178-Y256 HydrophobicContact CD2-CD2 3.45Å; F178-Y256 VanDerWaalsContact CD2-CD2 3.45Å; F178-Y256 HydrophobicContact CD2-CE2 4.23Å; F178-Y256 AromaticContact CD2-CG 3.54Å; F178-Y256 HydrophobicContact CD2-CG 3.54Å; F178-Y256 AromaticContact CE2-CD2 3.24Å; F178-Y256 HydrophobicContact CE2-CD2 3.24Å; F178-Y256 HydrophobicContact CE2-CE2 4.08Å; F178-Y256 AromaticContact CE2-CG 3.74Å; F178-Y256 HydrophobicContact CE2-CG 3.74Å; F178-Y256 HydrophobicContact CG-CD2 4.35Å; F178-Y256 HydrophobicContact CG-CG 4.02Å; F178-Y256 HydrophobicContact CZ-CD2 4.01Å; F178-Y256 HydrophobicContact CZ-CG 4.38Å
179I94Very high93.6Very high77 Ų7761.4 Ų61.440%0.39531%0.309SS..  trans-79109.7160.7-55.6-56.2000108.3L185 T187 T231I179-L185 HydrophobicContact CG2-CB 4.24Å; I179-T187 PolarHBondContact N-OG1 3.09Å; I179-T231 HydrophobicContact CG1-CG2 3.82Å
180L91.7Very high93.9Very high61 Ų6161.3 Ų61.332%0.31931%0.309SS..  trans-97.1160.8177.2-55.6-179.9000110.6K175 F178 S182 Y256K175-L180 HydrophobicContact CD-CD1 4.41Å; K175-L180 HydrophobicContact CG-CD1 3.8Å; F178-L180 HydrophobicContact CB-CD2 3.82Å; F178-L180 HydrophobicContact CB-CG 4.36Å; F178-L180 PolarHBondContact O-N 3.32Å; L180-S182 PolarHBondContact O-N 2.86Å; L180-Y256 HydrophobicContact CD1-CD1 4.17Å; L180-Y256 HydrophobicContact CD1-CE1 4.31Å; L180-Y256 HydrophobicContact CD2-CD1 3.9Å
181D89Confident94.4Very high172 Ų17259.6 Ų59.692%0.9230%0.297SS*.SBendtrans54.422.7173.9-52-40.7000115.5
182S93.7Very high95Very high29 Ų2954 Ų5420%0.20327%0.271CS..  trans-94.3127.4174-173.20000111.4L180 Y184 L185 R234L180-S182 PolarHBondContact O-N 2.86Å; S182-Y184 VanDerWaalsContact C-N 3.32Å; S182-Y184 PolarHBondContact OG-N 3.04Å; S182-L185 WeakPolarHBondContact OG-CB 3.25Å; S182-L185 PolarHBondContact OG-N 3.07Å; S182-R234 PolarHBondContact O-NE 3.43Å; S182-R234 VanDerWaalsContact O-NE 3.09Å; S182-R234 PolarHBondContact O-NH2 3.25Å
183E94.3Very high95.4Very high142 Ų14254.8 Ų54.866%0.66428%0.277SS*.SBendtrans-65.6-35174.3-169-176.2151.600111.9R234E183-R234 VanDerWaalsContact O-CD 3.3Å; E183-R234 WeakPolarHBondContact O-CD 3.1Å; E183-R234 PolarHBondContact O-NE 3.12Å
184Y95.5Very high95.5Very high141 Ų14161.2 Ų61.255%0.55330%0.3SS*.SBendtrans-109.2-32.5-172-57.3-64.8000114S182 F233 R234S182-Y184 VanDerWaalsContact C-N 3.32Å; S182-Y184 PolarHBondContact OG-N 3.04Å; Y184-F233 CarbonylContact O-C 3.57Å; Y184-F233 VanDerWaalsContact O-CA 3.29Å; Y184-F233 WeakPolarHBondContact O-CA 3.44Å; Y184-R234 PolarHBondContact O-N 2.91Å
185L96.5Very high95.7Very high44 Ų4459.1 Ų59.123%0.2331%0.309CS..EExtended strand (participates in β ladder)trans-97.2148.4-176.6-59.3177.3000111.3I179 S182 V212 T231 F233 R234I179-L185 HydrophobicContact CG2-CB 4.24Å; S182-L185 WeakPolarHBondContact OG-CB 3.25Å; S182-L185 PolarHBondContact OG-N 3.07Å; L185-V212 HydrophobicContact CD2-CG2 4.11Å; L185-T231 HydrophobicContact CB-CG2 4.27Å; L185-T231 HydrophobicContact CD1-CG2 4.45Å; L185-F233 HydrophobicContact CD2-CD2 3.53Å; L185-F233 HydrophobicContact CD2-CE2 3.5Å; L185-F233 HydrophobicContact CD2-CG 4.11Å; L185-F233 HydrophobicContact CD2-CZ 4.06Å; L185-R234 PolarHBondContact O-NE 3.11Å
186I96.5Very high95.9Very high38 Ų3856 Ų5620%0.19530%0.297CS..EExtended strand (participates in β ladder)trans-140.1150.7171-172.9168.4000108.9T231 L232 R234 V237I186-T231 WeakPolarHBondContact O-CA 3.2Å; I186-L232 HydrophobicContact CG2-CD2 4.36Å; I186-L232 HydrophobicContact CG2-CG 4.5Å; I186-L232 PolarHBondContact N-O 3.34Å; I186-L232 PolarHBondContact O-N 3.19Å; I186-L232 VanDerWaalsContact O-O 3.11Å; I186-R234 HydrophobicContact CB-CG 3.79Å; I186-R234 HydrophobicContact CG2-CB 4.46Å; I186-R234 HydrophobicContact CG2-CG 3.84Å; I186-V237 HydrophobicContact CG2-CG2 3.53Å
187T97.4Very high96.1Very high8 Ų853.7 Ų53.75%0.04928%0.275CS..EExtended strand (participates in β ladder)trans-103.9125.6168.9-550000109.7D177 F178 I179 V230D177-T187 WeakPolarHBondContact O-CG2 3.34Å; F178-T187 HydrophobicContact CD1-CG2 4.14Å; I179-T187 PolarHBondContact N-OG1 3.09Å; T187-V230 CarbonylContact C-O 3.37Å; T187-V230 VanDerWaalsContact CA-O 3.31Å; T187-V230 WeakPolarHBondContact CA-O 3.26Å
188V97.4Very high96.2Very high10 Ų1060.9 Ų60.96%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-106152.2174.4-60.80000110V190 S229 V230 L232 V237 Y240 V251V188-V190 HydrophobicContact CG2-CG2 4.13Å; V188-S229 CarbonylContact O-C 3.58Å; V188-S229 WeakPolarHBondContact O-CA 3.47Å; V188-V230 HydrophobicContact CG2-CB 4.14Å; V188-V230 PolarHBondContact N-O 3.14Å; V188-V230 PolarHBondContact O-N 3.36Å; V188-L232 HydrophobicContact CB-CD2 4.15Å; V188-L232 HydrophobicContact CG1-CD2 3.73Å; V188-L232 HydrophobicContact CG2-CD2 3.46Å; V188-L232 VanDerWaalsContact CG2-CD2 3.46Å; V188-V237 HydrophobicContact CG1-CG1 4.25Å; V188-V237 HydrophobicContact CG1-CG2 4.39Å; V188-Y240 HydrophobicContact CG2-CD1 4.36Å; V188-Y240 HydrophobicContact CG2-CE1 4.2Å; V188-V251 HydrophobicContact CB-CG1 4.07Å; V188-V251 HydrophobicContact CG2-CG1 4.48Å
189L98Very high96.3Very high1 Ų163.6 Ų63.61%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-103.5132.1175.1-59.1178.9000109.7L169 V173 F178 L219 L227 Y228 V251 R252 F254L169-L189 HydrophobicContact CD1-CD1 3.54Å; V173-L189 HydrophobicContact CG1-CD1 3.81Å; V173-L189 HydrophobicContact CG1-CD2 4.44Å; F178-L189 HydrophobicContact CE1-CD1 4.27Å; F178-L189 HydrophobicContact CE1-CD2 4.03Å; F178-L189 HydrophobicContact CE1-CG 4.11Å; F178-L189 HydrophobicContact CZ-CD1 4.04Å; F178-L189 HydrophobicContact CZ-CD2 4.04Å; F178-L189 HydrophobicContact CZ-CG 4.28Å; L189-L219 HydrophobicContact CD2-CD1 3.73Å; L189-L227 HydrophobicContact CB-CD1 4.09Å; L189-Y228 CarbonylContact C-O 3.59Å; L189-Y228 WeakPolarHBondContact CA-O 3.17Å; L189-V251 CarbonylContact O-C 3.58Å; L189-V251 WeakPolarHBondContact O-CA 3.08Å; L189-R252 HydrophobicContact CB-CB 4.3Å; L189-R252 PolarHBondContact O-N 2.81Å; L189-F254 HydrophobicContact CD1-CB 3.99Å; L189-F254 HydrophobicContact CD1-CD1 3.67Å; L189-F254 HydrophobicContact CD1-CE1 4.38Å; L189-F254 HydrophobicContact CD1-CG 3.89Å
190V98.2Very high96.5Very high0 Ų060.1 Ų60.10%030%0.302CS..EExtended strand (participates in β ladder)trans-126.4123.7-176.7-169.10000109.7V188 V192 W200 Y228 V230 Y240 F249 I250 V251V188-V190 HydrophobicContact CG2-CG2 4.13Å; V190-V192 HydrophobicContact CG1-CG2 4.11Å; V190-W200 HydrophobicContact CB-CH2 3.72Å; V190-W200 HydrophobicContact CB-CZ2 4.2Å; V190-W200 HydrophobicContact CB-CZ3 4.34Å; V190-W200 HydrophobicContact CG1-CH2 3.7Å; V190-W200 HydrophobicContact CG1-CZ2 4.48Å; V190-W200 HydrophobicContact CG1-CZ3 3.8Å; V190-W200 HydrophobicContact CG2-CH2 3.75Å; V190-W200 HydrophobicContact CG2-CZ2 4.42Å; V190-Y228 PolarHBondContact N-O 3.47Å; V190-Y228 PolarHBondContact O-N 2.83Å; V190-V230 HydrophobicContact CG2-CG2 4.4Å; V190-Y240 HydrophobicContact CG2-CE1 4.23Å; V190-F249 HydrophobicContact CG1-CB 3.81Å; V190-I250 CarbonylContact C-O 3.58Å; V190-I250 WeakPolarHBondContact CA-O 3.06Å; V190-V251 HydrophobicContact CG2-CG2 4.13Å
191V98.2Very high96.7Very high1 Ų160.4 Ų60.41%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-88122.2171.7-1770000108.1L164 L165 N225 G226 L227 I250 R252L164-V191 HydrophobicContact CB-CG1 4.14Å; L164-V191 HydrophobicContact CB-CG2 4.13Å; L165-V191 HydrophobicContact CD2-CB 3.92Å; L165-V191 HydrophobicContact CD2-CG1 3.6Å; L165-V191 HydrophobicContact CD2-CG2 4.39Å; L165-V191 HydrophobicContact CG-CG1 4.18Å; V191-N225 HydrophobicContact CG1-CB 3.57Å; V191-G226 WeakPolarHBondContact CA-O 3.48Å; V191-L227 HydrophobicContact CG2-CD1 3.78Å; V191-I250 HydrophobicContact CB-CB 4.44Å; V191-I250 PolarHBondContact N-O 3.22Å; V191-I250 PolarHBondContact O-N 2.92Å; V191-R252 HydrophobicContact CG2-CG 3.56Å
192V98.3Very high97.1Very high0 Ų057.8 Ų57.80%030%0.304CS..EExtended strand (participates in β ladder)trans-118.6126.1-177.5-177.10000108.1V190 L196 Y197 W200 N225 G226 Y228 F249V190-V192 HydrophobicContact CG1-CG2 4.11Å; V192-L196 HydrophobicContact CG1-CB 4.34Å; V192-Y197 HydrophobicContact CB-CD1 4.31Å; V192-Y197 HydrophobicContact CB-CE1 4.27Å; V192-Y197 HydrophobicContact CG1-CD1 3.82Å; V192-Y197 HydrophobicContact CG1-CE1 4.25Å; V192-Y197 WeakPolarHBondContact O-CE1 3.42Å; V192-W200 HydrophobicContact CG1-CB 3.76Å; V192-W200 HydrophobicContact CG1-CG 4.14Å; V192-W200 HydrophobicContact CG2-CB 4.34Å; V192-W200 HydrophobicContact CG2-CD2 3.64Å; V192-W200 HydrophobicContact CG2-CE3 3.86Å; V192-W200 HydrophobicContact CG2-CG 3.86Å; V192-W200 HydrophobicContact CG2-CZ3 4.39Å; V192-N225 CarbonylContact O-C 3.55Å; V192-N225 WeakPolarHBondContact O-CA 3Å; V192-G226 PolarHBondContact N-O 3.31Å; V192-G226 PolarHBondContact O-N 3.12Å; V192-Y228 HydrophobicContact CB-CD2 4Å; V192-Y228 HydrophobicContact CB-CE2 3.96Å; V192-Y228 HydrophobicContact CG2-CD2 3.66Å; V192-Y228 HydrophobicContact CG2-CE2 4.06Å; V192-F249 HydrophobicContact CB-CD1 4.45Å; V192-F249 HydrophobicContact CG1-CD1 3.88Å; V192-F249 HydrophobicContact CG1-CE1 3.89Å; V192-F249 HydrophobicContact CG2-CD1 4.24Å
193P98Very high97.3Very high39 Ų3960.1 Ų60.125%0.25331%0.31SS..EExtended strand (participates in β ladder)trans-60.1140.4172.2-24.834.8000111.3A195 L196 Y197P193-A195 PolarHBondContact O-N 3.15Å; P193-A195 VanDerWaalsContact O-N 3.13Å; P193-L196 HydrophobicContact CB-CD1 4.35Å; P193-L196 HydrophobicContact CB-CG 4.37Å; P193-L196 HydrophobicContact CG-CD1 4.13Å; P193-L196 WeakPolarHBondContact O-CA 3.33Å; P193-L196 PolarHBondContact O-N 3.43Å; P193-Y197 WeakPolarHBondContact O-CD1 3.4Å
194R97Very high97.4Very high144 Ų14453.9 Ų53.954%0.54328%0.281SS..G310 helixtrans-54.4-37.4-176.4-160.2178.3-157.8-171.76.1113.6L196 Y197 E221 D224R194-L196 PolarHBondContact O-N 2.99Å; R194-Y197 HydrophobicContact CB-CE1 4.45Å; R194-Y197 HydrophobicContact CG-CD2 4.4Å; R194-Y197 HydrophobicContact CG-CE2 3.91Å; R194-Y197 PolarHBondContact O-N 3.21Å; R194-E221 IonicContact CZ-OE1 2.72Å; R194-E221 IonicContact NE-OE1 3.08Å; R194-E221 PolarHBondContact NE-OE1 3.47Å; R194-E221 IonicContact NH2-OE1 2.72Å; R194-E221 PolarHBondContact NH2-OE1 3.46Å; R194-D224 WeakPolarHBondContact CB-O 3.45Å; R194-D224 PolarHBondContact N-O 3.49Å
195A97.2Very high97.5Very high96 Ų9651.1 Ų51.179%0.79327%0.272SS*.G310 helixtrans-62.2-20.7176.600000113.8P193P193-A195 PolarHBondContact O-N 3.15Å; P193-A195 VanDerWaalsContact O-N 3.13Å
196L98.1Very high97.6Very high38 Ų3853.4 Ų53.420%0.19929%0.292CS..G310 helixtrans-109.312.5-173.7-56.2179.9000113.5V192 P193 R194 K198 D199 W200 K248 F249V192-L196 HydrophobicContact CG1-CB 4.34Å; P193-L196 HydrophobicContact CB-CD1 4.35Å; P193-L196 HydrophobicContact CB-CG 4.37Å; P193-L196 HydrophobicContact CG-CD1 4.13Å; P193-L196 WeakPolarHBondContact O-CA 3.33Å; P193-L196 PolarHBondContact O-N 3.43Å; R194-L196 PolarHBondContact O-N 2.99Å; L196-K198 VanDerWaalsContact C-N 3.29Å; L196-K198 PolarHBondContact O-N 2.96Å; L196-D199 PolarHBondContact O-N 3.32Å; L196-W200 WeakPolarHBondContact O-CB 3.24Å; L196-W200 PolarHBondContact O-N 2.89Å; L196-K248 HydrophobicContact CD1-CB 4Å; L196-F249 HydrophobicContact CB-CE1 3.92Å; L196-F249 HydrophobicContact CD1-CE1 4.19Å
197Y97.9Very high97.6Very high41 Ų4152.2 Ų52.216%0.16129%0.286CS..Hα-helixtrans-59.6-38179.8-75.41.2000113.5V192 P193 R194 W200 A201 E221 N225 G226 Y228V192-Y197 HydrophobicContact CB-CD1 4.31Å; V192-Y197 HydrophobicContact CB-CE1 4.27Å; V192-Y197 HydrophobicContact CG1-CD1 3.82Å; V192-Y197 HydrophobicContact CG1-CE1 4.25Å; V192-Y197 WeakPolarHBondContact O-CE1 3.42Å; P193-Y197 WeakPolarHBondContact O-CD1 3.4Å; R194-Y197 HydrophobicContact CB-CE1 4.45Å; R194-Y197 HydrophobicContact CG-CD2 4.4Å; R194-Y197 HydrophobicContact CG-CE2 3.91Å; R194-Y197 PolarHBondContact O-N 3.21Å; Y197-W200 PolarHBondContact O-N 2.9Å; Y197-A201 PolarHBondContact O-N 3.06Å; Y197-E221 WeakPolarHBondContact OH-CG 3.17Å; Y197-N225 VanDerWaalsContact OH-C 3.28Å; Y197-G226 WeakPolarHBondContact OH-CA 3.3Å; Y197-G226 PolarHBondContact OH-N 3.36Å; Y197-Y228 HydrophobicContact CD1-CE2 4.14Å; Y197-Y228 AromaticContact CE1-CE2 3.91Å; Y197-Y228 HydrophobicContact CE1-CE2 3.91Å
198K97.6Very high97.6Very high178 Ų17852 Ų5277%0.77429%0.286SS*.Hα-helixtrans-66-43.8176.7-67.5-176.5179178.90111.1L196 W200 A201 V202L196-K198 VanDerWaalsContact C-N 3.29Å; L196-K198 PolarHBondContact O-N 2.96Å; K198-W200 VanDerWaalsContact C-N 3.33Å; K198-W200 PolarHBondContact O-N 2.88Å; K198-A201 PolarHBondContact O-N 3.47Å; K198-V202 WeakPolarHBondContact O-CG2 3.3Å; K198-V202 PolarHBondContact O-N 3.43Å
199D97.5Very high97.4Very high76 Ų7658.9 Ų58.941%0.40632%0.322SS..Hα-helixtrans-64.2-40.9177.8-68.8-6.3000111.2L196 V202 K203 F249L196-D199 PolarHBondContact O-N 3.32Å; D199-V202 PolarHBondContact O-N 2.88Å; D199-K203 VanDerWaalsContact O-CB 3.29Å; D199-K203 WeakPolarHBondContact O-CB 3.32Å; D199-K203 WeakPolarHBondContact O-CG 3.37Å; D199-K203 PolarHBondContact O-N 3.04Å; D199-F249 HydrophobicContact CB-CZ 4.46Å
200W98.2Very high97.3Very high3 Ų362.7 Ų62.71%0.01134%0.341CS..Hα-helixtrans-58.4-50174.9172-107.1000112.1V190 V192 L196 Y197 K198 V202 K203 Y204 L207 S216 Y228 V230 Y240 F249V190-W200 HydrophobicContact CB-CH2 3.72Å; V190-W200 HydrophobicContact CB-CZ2 4.2Å; V190-W200 HydrophobicContact CB-CZ3 4.34Å; V190-W200 HydrophobicContact CG1-CH2 3.7Å; V190-W200 HydrophobicContact CG1-CZ2 4.48Å; V190-W200 HydrophobicContact CG1-CZ3 3.8Å; V190-W200 HydrophobicContact CG2-CH2 3.75Å; V190-W200 HydrophobicContact CG2-CZ2 4.42Å; V192-W200 HydrophobicContact CG1-CB 3.76Å; V192-W200 HydrophobicContact CG1-CG 4.14Å; V192-W200 HydrophobicContact CG2-CB 4.34Å; V192-W200 HydrophobicContact CG2-CD2 3.64Å; V192-W200 HydrophobicContact CG2-CE3 3.86Å; V192-W200 HydrophobicContact CG2-CG 3.86Å; V192-W200 HydrophobicContact CG2-CZ3 4.39Å; L196-W200 WeakPolarHBondContact O-CB 3.24Å; L196-W200 PolarHBondContact O-N 2.89Å; Y197-W200 PolarHBondContact O-N 2.9Å; K198-W200 VanDerWaalsContact C-N 3.33Å; K198-W200 PolarHBondContact O-N 2.88Å; W200-V202 PolarHBondContact O-N 3.36Å; W200-K203 PolarHBondContact O-N 2.9Å; W200-Y204 HydrophobicContact CZ2-CG 4.32Å; W200-Y204 WeakPolarHBondContact O-CB 3.34Å; W200-Y204 PolarHBondContact O-N 3.15Å; W200-L207 HydrophobicContact CZ3-CD1 4.1Å; W200-S216 PolarHBondContact NE1-OG 3.48Å; W200-Y228 AromaticContact CD1-CD1 3.93Å; W200-Y228 AromaticContact CD1-CE1 3.85Å; W200-Y228 AromaticContact CD1-CZ 3.99Å; W200-Y228 HydrophobicContact CZ2-CG 4.46Å; W200-Y228 AromaticContact NE1-CD1 3.38Å; W200-Y228 AromaticContact NE1-CD2 4Å; W200-Y228 AromaticContact NE1-CE1 3.79Å; W200-Y228 AromaticContact NE1-CG 3.5Å; W200-V230 HydrophobicContact CH2-CG2 3.67Å; W200-V230 HydrophobicContact CZ2-CG2 3.37Å; W200-Y240 VanDerWaalsContact CH2-OH 3.25Å; W200-Y240 WeakPolarHBondContact CH2-OH 3.47Å; W200-F249 HydrophobicContact CB-CE1 4.21Å; W200-F249 HydrophobicContact CB-CZ 4.1Å; W200-F249 HydrophobicContact CE3-CD1 4.26Å; W200-F249 AromaticContact CE3-CD2 3.55Å; W200-F249 HydrophobicContact CE3-CD2 3.55Å; W200-F249 HydrophobicContact CE3-CE1 4.36Å; W200-F249 AromaticContact CE3-CE2 3.67Å; W200-F249 HydrophobicContact CE3-CE2 3.67Å; W200-F249 AromaticContact CE3-CG 3.86Å; W200-F249 HydrophobicContact CE3-CG 3.86Å; W200-F249 HydrophobicContact CE3-CZ 4.09Å; W200-F249 HydrophobicContact CZ3-CB 4.37Å; W200-F249 AromaticContact CZ3-CD2 3.77Å; W200-F249 HydrophobicContact CZ3-CD2 3.77Å; W200-F249 HydrophobicContact CZ3-CE2 4.27Å; W200-F249 HydrophobicContact CZ3-CG 4.12Å
201A96.8Very high97.3Very high67 Ų6763.2 Ų63.255%0.55434%0.344SS*.Hα-helixtrans-59-32-178.500000113Y197 K198Y197-A201 PolarHBondContact O-N 3.06Å; K198-A201 PolarHBondContact O-N 3.47Å
202V96.8Very high97.3Very high118 Ų11865.4 Ų65.472%0.71536%0.357SS*.Hα-helixtrans-83.6-37178.4177.10000112K198 D199 W200K198-V202 WeakPolarHBondContact O-CG2 3.3Å; K198-V202 PolarHBondContact O-N 3.43Å; D199-V202 PolarHBondContact O-N 2.88Å; W200-V202 PolarHBondContact O-N 3.36Å
203K97.4Very high97.2Very high77 Ų7769.4 Ų69.434%0.33538%0.383SS..Hα-helixtrans-94.7-29.7-167.2-70.4178.3173.6-178.60115.1D199 W200 E205 S206 L207 N247D199-K203 VanDerWaalsContact O-CB 3.29Å; D199-K203 WeakPolarHBondContact O-CB 3.32Å; D199-K203 WeakPolarHBondContact O-CG 3.37Å; D199-K203 PolarHBondContact O-N 3.04Å; W200-K203 PolarHBondContact O-N 2.9Å; K203-E205 PolarHBondContact O-N 3.32Å; K203-E205 VanDerWaalsContact O-N 3.09Å; K203-S206 PolarHBondContact O-N 3.42Å; K203-S206 PolarHBondContact O-OG 3.37Å; K203-L207 HydrophobicContact CB-CD2 4.4Å; K203-L207 WeakPolarHBondContact O-CG 3.36Å; K203-L207 PolarHBondContact O-N 3.04Å; K203-N247 WeakPolarHBondContact CD-OD1 3.42Å; K203-N247 PolarHBondContact NZ-OD1 3.47Å
204Y98Very high97.1Very high12 Ų1278.3 Ų78.35%0.04741%0.412CS..G310 helixtrans-57.6-35-163.589.5-81.4000113.3W200 S206 L207 V211 R214 S215 S216 V230 Y240W200-Y204 HydrophobicContact CZ2-CG 4.32Å; W200-Y204 WeakPolarHBondContact O-CB 3.34Å; W200-Y204 PolarHBondContact O-N 3.15Å; Y204-S206 VanDerWaalsContact C-N 3.29Å; Y204-S206 PolarHBondContact O-N 3.5Å; Y204-L207 PolarHBondContact O-N 3.4Å; Y204-V211 HydrophobicContact CD2-CG1 4.25Å; Y204-V211 HydrophobicContact CE2-CG1 4.28Å; Y204-R214 WeakPolarHBondContact OH-CA 3.44Å; Y204-R214 PolarHBondContact OH-N 3.33Å; Y204-S215 PolarHBondContact OH-N 3.07Å; Y204-S215 VanDerWaalsContact OH-N 3.12Å; Y204-S216 VanDerWaalsContact CE2-CB 3.46Å; Y204-S216 PolarHBondContact OH-N 3.01Å; Y204-V230 HydrophobicContact CD2-CG1 3.9Å; Y204-V230 HydrophobicContact CD2-CG2 4.07Å; Y204-V230 HydrophobicContact CE2-CG1 4.14Å; Y204-Y240 WeakPolarHBondContact O-CE2 3.43Å
205E97.8Very high97.1Very high82 Ų8272.2 Ų72.238%0.38339%0.391SS..G310 helixtrans-67.9-27.1179.3-59.1-174.216200113.1K203 P213 R214K203-E205 PolarHBondContact O-N 3.32Å; K203-E205 VanDerWaalsContact O-N 3.09Å; E205-P213 WeakPolarHBondContact OE1-CA 3.4Å; E205-R214 PolarHBondContact OE1-N 2.67Å
206S96.9Very high97.2Very high93 Ų9369 Ų6965%0.6536%0.363SS*.G310 helixtrans-101.22-17761.10000113.9K203 Y204 A208K203-S206 PolarHBondContact O-N 3.42Å; K203-S206 PolarHBondContact O-OG 3.37Å; Y204-S206 VanDerWaalsContact C-N 3.29Å; Y204-S206 PolarHBondContact O-N 3.5Å; S206-A208 PolarHBondContact O-N 3.36Å
207L97Very high97.1Very high12 Ų1274.8 Ų74.86%0.06338%0.382CS..SBendtrans-70.8-16.9178.1-65.6177.4000112.7W200 K203 Y204 Y240 H243 F249W200-L207 HydrophobicContact CZ3-CD1 4.1Å; K203-L207 HydrophobicContact CB-CD2 4.4Å; K203-L207 WeakPolarHBondContact O-CG 3.36Å; K203-L207 PolarHBondContact O-N 3.04Å; Y204-L207 PolarHBondContact O-N 3.4Å; L207-Y240 HydrophobicContact CB-CD2 3.78Å; L207-Y240 HydrophobicContact CB-CE2 3.59Å; L207-Y240 HydrophobicContact CD1-CE2 4.1Å; L207-Y240 HydrophobicContact CG-CE2 4.4Å; L207-H243 HydrophobicContact CB-CB 4.23Å; L207-H243 HydrophobicContact CD2-CB 4.14Å; L207-H243 PolarHBondContact O-ND1 2.81Å; L207-F249 HydrophobicContact CD1-CD2 4.11Å; L207-F249 HydrophobicContact CD1-CE2 4.36Å
208A96.8Very high97.1Very high5 Ų576.5 Ų76.54%0.04139%0.394CS..SBendtrans-157.3157.8166.300000108.9S206 M210 V211 V236 E239 Y240S206-A208 PolarHBondContact O-N 3.36Å; A208-M210 PolarHBondContact O-N 3.16Å; A208-V211 HydrophobicContact CB-CG2 3.99Å; A208-V211 VanDerWaalsContact O-CG2 3.3Å; A208-V211 WeakPolarHBondContact O-CG2 3.4Å; A208-V236 HydrophobicContact CB-CB 4.14Å; A208-V236 HydrophobicContact CB-CG2 4.34Å; A208-E239 HydrophobicContact CB-CG 4.49Å; A208-Y240 HydrophobicContact CB-CD2 3.99Å
209N94.4Very high97.1Very high154 Ų15470 Ų7082%0.82437%0.367SS*.THydrogen-bonded Turntrans-66.4-38.3-175.4-168.6-4.7000113V211N209-V211 VanDerWaalsContact C-N 3.32Å; N209-V211 PolarHBondContact O-N 3.22Å
210M96.4Very high97Very high81 Ų8171.5 Ų71.540%0.39937%0.367SS..THydrogen-bonded Turntrans-95.942.1-174.2-58.1179.4169.100113.1A208 L232 F233 V236A208-M210 PolarHBondContact O-N 3.16Å; M210-L232 WeakPolarHBondContact O-CA 3.2Å; M210-L232 WeakPolarHBondContact O-CB 3.49Å; M210-F233 HydrophobicContact CB-CB 3.7Å; M210-F233 HydrophobicContact CB-CD2 3.85Å; M210-F233 HydrophobicContact CB-CG 3.87Å; M210-F233 WeakPolarHBondContact O-CD2 3.19Å; M210-F233 PolarHBondContact O-N 3.48Å; M210-F233 HydrophobicContact SD-CB 4.1Å; M210-F233 HydrophobicContact SD-CD1 4.32Å; M210-F233 HydrophobicContact SD-CG 4.23Å; M210-V236 HydrophobicContact CB-CG1 3.97Å; M210-V236 HydrophobicContact CB-CG2 3.78Å; M210-V236 HydrophobicContact CG-CG1 4.11Å; M210-V236 HydrophobicContact SD-CG1 4.05Å
211V97.9Very high96.9Very high11 Ų1174.4 Ų74.47%0.06738%0.381CS..BIsolated β-bridgetrans-92.5135.5173.2179.80000108.8Y204 A208 N209 P213 V230 L232 Y240Y204-V211 HydrophobicContact CD2-CG1 4.25Å; Y204-V211 HydrophobicContact CE2-CG1 4.28Å; A208-V211 HydrophobicContact CB-CG2 3.99Å; A208-V211 VanDerWaalsContact O-CG2 3.3Å; A208-V211 WeakPolarHBondContact O-CG2 3.4Å; N209-V211 VanDerWaalsContact C-N 3.32Å; N209-V211 PolarHBondContact O-N 3.22Å; V211-P213 VanDerWaalsContact O-CD 3.27Å; V211-P213 WeakPolarHBondContact O-CD 3Å; V211-V230 HydrophobicContact CG1-CG1 3.92Å; V211-L232 HydrophobicContact CG2-CB 4.26Å; V211-Y240 HydrophobicContact CG1-CE2 4.36Å; V211-Y240 HydrophobicContact CG2-CD2 3.57Å; V211-Y240 HydrophobicContact CG2-CE2 3.51Å
212V97.5Very high96.7Very high47 Ų4772.8 Ų72.829%0.28536%0.363SS..PPolyproline II helixtrans-75.6119.5178.8-179.10000108.8L185 S215 T231L185-V212 HydrophobicContact CD2-CG2 4.11Å; V212-S215 WeakPolarHBondContact O-CB 3.44Å; V212-S215 PolarHBondContact O-N 3.46Å; V212-S215 PolarHBondContact O-OG 2.81Å; V212-T231 HydrophobicContact CB-CG2 4.46Å; V212-T231 VanDerWaalsContact CB-O 3.3Å; V212-T231 WeakPolarHBondContact CB-O 3.47Å; V212-T231 HydrophobicContact CG2-CG2 3.91Å; V212-T231 WeakPolarHBondContact CG2-O 3.46Å; V212-T231 PolarHBondContact N-O 2.8Å
213P96.4Very high96.5Very high83 Ų8374 Ų7454%0.53937%0.366SS..THydrogen-bonded Turntrans-63.3148.1179.5-22.734.5000111.9E205 V211 S215E205-P213 WeakPolarHBondContact OE1-CA 3.4Å; V211-P213 VanDerWaalsContact O-CD 3.27Å; V211-P213 WeakPolarHBondContact O-CD 3Å; P213-S215 PolarHBondContact O-N 3.49Å; P213-S215 VanDerWaalsContact O-N 3.17Å
214R96.7Very high96.4Very high226 Ų22675.7 Ų75.785%0.85338%0.378SS*.THydrogen-bonded Turntrans54.923-176.2-57.6175.1-69.1-179.5-2.4114.1Y204 E205Y204-R214 WeakPolarHBondContact OH-CA 3.44Å; Y204-R214 PolarHBondContact OH-N 3.33Å; E205-R214 PolarHBondContact OE1-N 2.67Å
215S96.8Very high96.4Very high16 Ų1675.9 Ų75.911%0.11238%0.38CS..  trans-86.7-17.8179670000113.5Y204 V212 P213 R217 T231Y204-S215 PolarHBondContact OH-N 3.07Å; Y204-S215 VanDerWaalsContact OH-N 3.12Å; V212-S215 WeakPolarHBondContact O-CB 3.44Å; V212-S215 PolarHBondContact O-N 3.46Å; V212-S215 PolarHBondContact O-OG 2.81Å; P213-S215 PolarHBondContact O-N 3.49Å; P213-S215 VanDerWaalsContact O-N 3.17Å; S215-R217 PolarHBondContact O-N 3.46Å; S215-T231 PolarHBondContact OG-N 3.13Å; S215-T231 PolarHBondContact OG-O 3.29Å
216S97.8Very high96.4Very high28 Ų2872 Ų7220%0.19636%0.362CS..  trans-69.6129.7-177.4-169.50000112.4W200 Y204 Y228 S229W200-S216 PolarHBondContact NE1-OG 3.48Å; Y204-S216 VanDerWaalsContact CE2-CB 3.46Å; Y204-S216 PolarHBondContact OH-N 3.01Å; S216-Y228 WeakPolarHBondContact OG-CD1 3.09Å; S216-S229 WeakPolarHBondContact CA-O 3.43Å; S216-S229 PolarHBondContact OG-O 2.85Å
217R97.3Very high96.4Very high161 Ų16167.5 Ų67.561%0.60833%0.331SS*.EExtended strand (participates in β ladder)trans-136.6134176.2-57.5179.578.7-171.84.2110.6S215 L219 Y228 S229S215-R217 PolarHBondContact O-N 3.46Å; R217-L219 PolarHBondContact O-N 3.29Å; R217-Y228 CarbonylContact O-C 3.5Å; R217-Y228 WeakPolarHBondContact O-CA 3.38Å; R217-S229 PolarHBondContact N-O 3Å; R217-S229 VanDerWaalsContact N-O 3.11Å; R217-S229 PolarHBondContact O-N 2.95Å
218L97.8Very high96.5Very high77 Ų7768.2 Ų68.240%0.40333%0.333SS..EExtended strand (participates in β ladder)trans-73.6121.5171-179.664.1000109.1Y220 Y228L218-Y220 WeakPolarHBondContact CD1-O 3.41Å; L218-Y228 HydrophobicContact CB-CD1 4.02Å; L218-Y228 HydrophobicContact CB-CE1 3.64Å; L218-Y228 HydrophobicContact CD1-CD1 4.45Å; L218-Y228 HydrophobicContact CD1-CD2 4.08Å; L218-Y228 HydrophobicContact CD1-CE1 4.09Å; L218-Y228 HydrophobicContact CD1-CE2 3.68Å; L218-Y228 HydrophobicContact CD1-CG 4.45Å; L218-Y228 HydrophobicContact CG-CE1 4.4Å
219L97Very high96.5Very high40 Ų4068.2 Ų68.221%0.20933%0.332CS..EExtended strand (participates in β ladder)trans-95.9-39.8179.6-56.1-173.6000112.1V173 D177 L189 R217 L227V173-L219 HydrophobicContact CG1-CD1 4.16Å; D177-L219 HydrophobicContact CB-CD1 4.01Å; D177-L219 HydrophobicContact CB-CD2 4.02Å; L189-L219 HydrophobicContact CD2-CD1 3.73Å; R217-L219 PolarHBondContact O-N 3.29Å; L219-L227 PolarHBondContact N-O 2.98Å
220Y96.5Very high96.7Very high108 Ų10860.9 Ų60.942%0.42429%0.293SS..EExtended strand (participates in β ladder)trans-158.6151.8-176.6-172.4-90.8000110.6L164 I172 L218 D222 G226 L227L164-Y220 HydrophobicContact CD1-CD1 4.2Å; L164-Y220 HydrophobicContact CD2-CD1 3.86Å; L164-Y220 HydrophobicContact CD2-CE1 4.45Å; L164-Y220 HydrophobicContact CG-CD1 4.36Å; I172-Y220 HydrophobicContact CD1-CD1 4.26Å; I172-Y220 HydrophobicContact CD1-CG 4.41Å; I172-Y220 HydrophobicContact CG2-CD2 4.14Å; I172-Y220 HydrophobicContact CG2-CG 3.81Å; L218-Y220 WeakPolarHBondContact CD1-O 3.41Å; Y220-D222 HydrophobicContact CE1-CB 4.31Å; Y220-G226 WeakPolarHBondContact O-CA 3.26Å; Y220-L227 PolarHBondContact O-N 3.44Å
221E95.1Very high96.8Very high65 Ų6558 Ų5830%0.30428%0.28SS..EExtended strand (participates in β ladder)trans-133.4128.5177.8178.1172163.700109.1R194 Y197 N225R194-E221 IonicContact CZ-OE1 2.72Å; R194-E221 IonicContact NE-OE1 3.08Å; R194-E221 PolarHBondContact NE-OE1 3.47Å; R194-E221 IonicContact NH2-OE1 2.72Å; R194-E221 PolarHBondContact NH2-OE1 3.46Å; Y197-E221 WeakPolarHBondContact OH-CG 3.17Å; E221-N225 WeakPolarHBondContact CA-O 3.47Å
222D93.2Very high96.8Very high32 Ų3257.5 Ų57.517%0.17128%0.277CS..  trans-97.7-171.1166.672.225.8000110L164 Y220 D224 N225L164-D222 HydrophobicContact CD1-CB 4.24Å; L164-D222 HydrophobicContact CG-CB 4.33Å; L164-D222 VanDerWaalsContact CG-OD2 3.31Å; L164-D222 WeakPolarHBondContact CG-OD2 3.43Å; L164-D222 PolarHBondContact N-OD2 2.93Å; Y220-D222 HydrophobicContact CE1-CB 4.31Å; D222-D224 PolarHBondContact O-N 2.9Å; D222-D224 PolarHBondContact OD1-N 2.92Å; D222-N225 PolarHBondContact N-O 3.4Å; D222-N225 PolarHBondContact OD1-N 2.99Å
223N92.9Very high96.8Very high143 Ų14359.1 Ų59.177%0.76528%0.281SS*.SBendtrans-62.1-27.9-177-69.3-23.7000113.4
224D94.7Very high96.7Very high113 Ų11360.9 Ų60.960%0.60428%0.277SS*.SBendtrans-118.9-24.8-167.3-60.5-53.6000113.1R194 D222R194-D224 WeakPolarHBondContact CB-O 3.45Å; R194-D224 PolarHBondContact N-O 3.49Å; D222-D224 PolarHBondContact O-N 2.9Å; D222-D224 PolarHBondContact OD1-N 2.92Å
225N97.3Very high96.7Very high16 Ų1659.1 Ų59.19%0.08628%0.275CS..EExtended strand (participates in β ladder)trans-141.2153-168.4-51-82000113.2L164 V191 V192 Y197 E221 D222L164-N225 HydrophobicContact CD1-CB 4.14Å; L164-N225 WeakPolarHBondContact CD1-O 3.34Å; V191-N225 HydrophobicContact CG1-CB 3.57Å; V192-N225 CarbonylContact O-C 3.55Å; V192-N225 WeakPolarHBondContact O-CA 3Å; Y197-N225 VanDerWaalsContact OH-C 3.28Å; E221-N225 WeakPolarHBondContact CA-O 3.47Å; D222-N225 PolarHBondContact N-O 3.4Å; D222-N225 PolarHBondContact OD1-N 2.99Å
226G97.4Very high96.8Very high0 Ų058.9 Ų58.90%027%0.273CS..EExtended strand (participates in β ladder)trans-110.7138.7168.500000111V191 V192 Y197 Y220V191-G226 WeakPolarHBondContact CA-O 3.48Å; V192-G226 PolarHBondContact N-O 3.31Å; V192-G226 PolarHBondContact O-N 3.12Å; Y197-G226 WeakPolarHBondContact OH-CA 3.3Å; Y197-G226 PolarHBondContact OH-N 3.36Å; Y220-G226 WeakPolarHBondContact O-CA 3.26Å
227L98.1Very high96.7Very high0 Ų058.8 Ų58.80%027%0.271CS..EExtended strand (participates in β ladder)trans-96113.9171-173.372.3000109L164 L169 I172 V173 L189 V191 L219 Y220L164-L227 HydrophobicContact CD1-CB 4.03Å; L164-L227 HydrophobicContact CD2-CB 4.07Å; L164-L227 HydrophobicContact CD2-CD2 4.37Å; L169-L227 HydrophobicContact CD1-CD1 4.17Å; L169-L227 HydrophobicContact CD1-CD2 4.35Å; L169-L227 HydrophobicContact CD2-CD1 4.45Å; L169-L227 HydrophobicContact CD2-CD2 4.01Å; I172-L227 HydrophobicContact CG2-CD2 3.97Å; V173-L227 HydrophobicContact CG1-CD2 4.17Å; L189-L227 HydrophobicContact CB-CD1 4.09Å; V191-L227 HydrophobicContact CG2-CD1 3.78Å; L219-L227 PolarHBondContact N-O 2.98Å; Y220-L227 PolarHBondContact O-N 3.44Å
228Y98.3Very high96.7Very high27 Ų2757 Ų5711%0.10627%0.274CS..EExtended strand (participates in β ladder)trans-106.3143177.6-69.7-98.9000111L189 V190 V192 Y197 W200 S216 R217 L218L189-Y228 CarbonylContact C-O 3.59Å; L189-Y228 WeakPolarHBondContact CA-O 3.17Å; V190-Y228 PolarHBondContact N-O 3.47Å; V190-Y228 PolarHBondContact O-N 2.83Å; V192-Y228 HydrophobicContact CB-CD2 4Å; V192-Y228 HydrophobicContact CB-CE2 3.96Å; V192-Y228 HydrophobicContact CG2-CD2 3.66Å; V192-Y228 HydrophobicContact CG2-CE2 4.06Å; Y197-Y228 HydrophobicContact CD1-CE2 4.14Å; Y197-Y228 AromaticContact CE1-CE2 3.91Å; Y197-Y228 HydrophobicContact CE1-CE2 3.91Å; W200-Y228 AromaticContact CD1-CD1 3.93Å; W200-Y228 AromaticContact CD1-CE1 3.85Å; W200-Y228 AromaticContact CD1-CZ 3.99Å; W200-Y228 HydrophobicContact CZ2-CG 4.46Å; W200-Y228 AromaticContact NE1-CD1 3.38Å; W200-Y228 AromaticContact NE1-CD2 4Å; W200-Y228 AromaticContact NE1-CE1 3.79Å; W200-Y228 AromaticContact NE1-CG 3.5Å; S216-Y228 WeakPolarHBondContact OG-CD1 3.09Å; R217-Y228 CarbonylContact O-C 3.5Å; R217-Y228 WeakPolarHBondContact O-CA 3.38Å; L218-Y228 HydrophobicContact CB-CD1 4.02Å; L218-Y228 HydrophobicContact CB-CE1 3.64Å; L218-Y228 HydrophobicContact CD1-CD1 4.45Å; L218-Y228 HydrophobicContact CD1-CD2 4.08Å; L218-Y228 HydrophobicContact CD1-CE1 4.09Å; L218-Y228 HydrophobicContact CD1-CE2 3.68Å; L218-Y228 HydrophobicContact CD1-CG 4.45Å; L218-Y228 HydrophobicContact CG-CE1 4.4Å
229S97.9Very high96.7Very high4 Ų457.6 Ų57.63%0.02827%0.274CS..EExtended strand (participates in β ladder)trans-88.5149.2159.256.70000110.3V188 S216 R217V188-S229 CarbonylContact O-C 3.58Å; V188-S229 WeakPolarHBondContact O-CA 3.47Å; S216-S229 WeakPolarHBondContact CA-O 3.43Å; S216-S229 PolarHBondContact OG-O 2.85Å; R217-S229 PolarHBondContact N-O 3Å; R217-S229 VanDerWaalsContact N-O 3.11Å; R217-S229 PolarHBondContact O-N 2.95Å
230V98.1Very high96.7Very high0 Ų055.8 Ų55.80%027%0.265CS..EExtended strand (participates in β ladder)trans-141.4133.9169.8-178.90000109T187 V188 V190 W200 Y204 V211T187-V230 CarbonylContact C-O 3.37Å; T187-V230 VanDerWaalsContact CA-O 3.31Å; T187-V230 WeakPolarHBondContact CA-O 3.26Å; V188-V230 HydrophobicContact CG2-CB 4.14Å; V188-V230 PolarHBondContact N-O 3.14Å; V188-V230 PolarHBondContact O-N 3.36Å; V190-V230 HydrophobicContact CG2-CG2 4.4Å; W200-V230 HydrophobicContact CH2-CG2 3.67Å; W200-V230 HydrophobicContact CZ2-CG2 3.37Å; Y204-V230 HydrophobicContact CD2-CG1 3.9Å; Y204-V230 HydrophobicContact CD2-CG2 4.07Å; Y204-V230 HydrophobicContact CE2-CG1 4.14Å; V211-V230 HydrophobicContact CG1-CG1 3.92Å
231T97.8Very high96.8Very high21 Ų2154.9 Ų54.913%0.12926%0.261CS..EExtended strand (participates in β ladder)trans-97.1130.5173.7-51.80000110I179 L185 I186 V212 S215I179-T231 HydrophobicContact CG1-CG2 3.82Å; L185-T231 HydrophobicContact CB-CG2 4.27Å; L185-T231 HydrophobicContact CD1-CG2 4.45Å; I186-T231 WeakPolarHBondContact O-CA 3.2Å; V212-T231 HydrophobicContact CB-CG2 4.46Å; V212-T231 VanDerWaalsContact CB-O 3.3Å; V212-T231 WeakPolarHBondContact CB-O 3.47Å; V212-T231 HydrophobicContact CG2-CG2 3.91Å; V212-T231 WeakPolarHBondContact CG2-O 3.46Å; V212-T231 PolarHBondContact N-O 2.8Å; S215-T231 PolarHBondContact OG-N 3.13Å; S215-T231 PolarHBondContact OG-O 3.29Å
232L97.9Very high96.9Very high0 Ų055.4 Ų55.40%027%0.268CS..EExtended strand (participates in β ladder)trans-150170.4178.966.8169.6000110.5I186 V188 M210 V211 V236 V237 Y240I186-L232 HydrophobicContact CG2-CD2 4.36Å; I186-L232 HydrophobicContact CG2-CG 4.5Å; I186-L232 PolarHBondContact N-O 3.34Å; I186-L232 PolarHBondContact O-N 3.19Å; I186-L232 VanDerWaalsContact O-O 3.11Å; V188-L232 HydrophobicContact CB-CD2 4.15Å; V188-L232 HydrophobicContact CG1-CD2 3.73Å; V188-L232 HydrophobicContact CG2-CD2 3.46Å; V188-L232 VanDerWaalsContact CG2-CD2 3.46Å; M210-L232 WeakPolarHBondContact O-CA 3.2Å; M210-L232 WeakPolarHBondContact O-CB 3.49Å; V211-L232 HydrophobicContact CG2-CB 4.26Å; L232-V236 HydrophobicContact CB-CG2 4.42Å; L232-V236 HydrophobicContact CD1-CG2 4.05Å; L232-V236 HydrophobicContact CG-CG2 4.49Å; L232-V237 HydrophobicContact CD1-CG2 4.41Å; L232-V237 HydrophobicContact CG-CG2 4.46Å; L232-Y240 HydrophobicContact CD1-CD1 3.91Å; L232-Y240 HydrophobicContact CD1-CD2 3.91Å; L232-Y240 HydrophobicContact CD1-CG 3.52Å
233F97.7Very high97.2Very high82 Ų8256.9 Ų56.936%0.3627%0.274SS..EExtended strand (participates in β ladder)trans-73.5140.1174.9-78.7-118.5000110.8Y184 L185 M210 K235 V236Y184-F233 CarbonylContact O-C 3.57Å; Y184-F233 VanDerWaalsContact O-CA 3.29Å; Y184-F233 WeakPolarHBondContact O-CA 3.44Å; L185-F233 HydrophobicContact CD2-CD2 3.53Å; L185-F233 HydrophobicContact CD2-CE2 3.5Å; L185-F233 HydrophobicContact CD2-CG 4.11Å; L185-F233 HydrophobicContact CD2-CZ 4.06Å; M210-F233 HydrophobicContact CB-CB 3.7Å; M210-F233 HydrophobicContact CB-CD2 3.85Å; M210-F233 HydrophobicContact CB-CG 3.87Å; M210-F233 WeakPolarHBondContact O-CD2 3.19Å; M210-F233 PolarHBondContact O-N 3.48Å; M210-F233 HydrophobicContact SD-CB 4.1Å; M210-F233 HydrophobicContact SD-CD1 4.32Å; M210-F233 HydrophobicContact SD-CG 4.23Å; F233-K235 PolarHBondContact O-N 3.35Å; F233-K235 VanDerWaalsContact O-N 3.11Å; F233-V236 HydrophobicContact CB-CG2 4.27Å; F233-V236 WeakPolarHBondContact O-CG2 3.47Å; F233-V236 PolarHBondContact O-N 3.3Å; F233-V236 VanDerWaalsContact O-N 3.12Å
234R95.6Very high97.4Very high120 Ų12050 Ų5045%0.45324%0.238SC..G310 helixtrans-52.7-36.6179.2-72.3177.6-174.4-85.81.1113S182 E183 Y184 L185 I186 V236 V237S182-R234 PolarHBondContact O-NE 3.43Å; S182-R234 VanDerWaalsContact O-NE 3.09Å; S182-R234 PolarHBondContact O-NH2 3.25Å; E183-R234 VanDerWaalsContact O-CD 3.3Å; E183-R234 WeakPolarHBondContact O-CD 3.1Å; E183-R234 PolarHBondContact O-NE 3.12Å; Y184-R234 PolarHBondContact O-N 2.91Å; L185-R234 PolarHBondContact O-NE 3.11Å; I186-R234 HydrophobicContact CB-CG 3.79Å; I186-R234 HydrophobicContact CG2-CB 4.46Å; I186-R234 HydrophobicContact CG2-CG 3.84Å; R234-V236 PolarHBondContact O-N 3.28Å; R234-V237 WeakPolarHBondContact O-CG2 3.38Å; R234-V237 PolarHBondContact O-N 2.83Å
235K96.6Very high97.6Very high188 Ų18854.6 Ų54.682%0.81725%0.246SC*.G310 helixtrans-63.2-23.4-176.9-168.4178178.6-176.50114.1F233F233-K235 PolarHBondContact O-N 3.35Å; F233-K235 VanDerWaalsContact O-N 3.11Å
236V97.3Very high97.6Very high11 Ų1160.1 Ų60.17%0.06727%0.272CS..G310 helixtrans-108.39.5-174.8-63.70000113.3A208 M210 L232 F233 R234 D238 E239 Y240A208-V236 HydrophobicContact CB-CB 4.14Å; A208-V236 HydrophobicContact CB-CG2 4.34Å; M210-V236 HydrophobicContact CB-CG1 3.97Å; M210-V236 HydrophobicContact CB-CG2 3.78Å; M210-V236 HydrophobicContact CG-CG1 4.11Å; M210-V236 HydrophobicContact SD-CG1 4.05Å; L232-V236 HydrophobicContact CB-CG2 4.42Å; L232-V236 HydrophobicContact CD1-CG2 4.05Å; L232-V236 HydrophobicContact CG-CG2 4.49Å; F233-V236 HydrophobicContact CB-CG2 4.27Å; F233-V236 WeakPolarHBondContact O-CG2 3.47Å; F233-V236 PolarHBondContact O-N 3.3Å; F233-V236 VanDerWaalsContact O-N 3.12Å; R234-V236 PolarHBondContact O-N 3.28Å; V236-D238 PolarHBondContact O-N 2.89Å; V236-E239 PolarHBondContact O-N 3.1Å; V236-Y240 WeakPolarHBondContact O-CB 3.27Å; V236-Y240 PolarHBondContact O-N 3.06Å
237V96.5Very high97.6Very high27 Ų2762.1 Ų62.116%0.16428%0.282CS..Hα-helixtrans-61.1-42.5-176.3172.40000112.4I186 V188 L232 R234 Y240 R241I186-V237 HydrophobicContact CG2-CG2 3.53Å; V188-V237 HydrophobicContact CG1-CG1 4.25Å; V188-V237 HydrophobicContact CG1-CG2 4.39Å; L232-V237 HydrophobicContact CD1-CG2 4.41Å; L232-V237 HydrophobicContact CG-CG2 4.46Å; R234-V237 WeakPolarHBondContact O-CG2 3.38Å; R234-V237 PolarHBondContact O-N 2.83Å; V237-Y240 PolarHBondContact O-N 2.94Å; V237-R241 VanDerWaalsContact O-CB 3.3Å; V237-R241 WeakPolarHBondContact O-CB 3.45Å; V237-R241 PolarHBondContact O-N 2.72Å
238D96.9Very high97.5Very high123 Ų12369.6 Ų69.666%0.65832%0.315SS*.Hα-helixtrans-71.6-39.8-178.1-66.1-36.9000112.4V236 R241 T242V236-D238 PolarHBondContact O-N 2.89Å; D238-R241 PolarHBondContact O-N 2.81Å; D238-T242 PolarHBondContact O-N 2.93Å; D238-T242 PolarHBondContact O-OG1 3.02Å
239E97.6Very high97.5Very high90 Ų9068.4 Ų68.442%0.42131%0.31SS..Hα-helixtrans-59.8-49.9171.4-178.7-173159.500110.1A208 V236 R241 T242 H243A208-E239 HydrophobicContact CB-CG 4.49Å; V236-E239 PolarHBondContact O-N 3.1Å; E239-R241 VanDerWaalsContact C-N 3.33Å; E239-R241 PolarHBondContact O-N 3.36Å; E239-T242 WeakPolarHBondContact O-CB 3.3Å; E239-T242 PolarHBondContact O-N 3.43Å; E239-T242 VanDerWaalsContact O-N 3.09Å; E239-H243 VanDerWaalsContact CG-CE1 3.44Å; E239-H243 WeakPolarHBondContact CG-CE1 3.19Å; E239-H243 PolarHBondContact O-N 2.91Å; E239-H243 PolarHBondContact O-ND1 2.78Å; E239-H243 IonicContact OE1-CE1 3.04Å
240Y98.2Very high97.5Very high1 Ų172.1 Ų72.10%0.00433%0.329CS..Hα-helixtrans-60.4-41.5178.6-169.2-95000112.2V188 V190 W200 Y204 L207 A208 V211 L232 V236 V237 T242 C244 V251V188-Y240 HydrophobicContact CG2-CD1 4.36Å; V188-Y240 HydrophobicContact CG2-CE1 4.2Å; V190-Y240 HydrophobicContact CG2-CE1 4.23Å; W200-Y240 VanDerWaalsContact CH2-OH 3.25Å; W200-Y240 WeakPolarHBondContact CH2-OH 3.47Å; Y204-Y240 WeakPolarHBondContact O-CE2 3.43Å; L207-Y240 HydrophobicContact CB-CD2 3.78Å; L207-Y240 HydrophobicContact CB-CE2 3.59Å; L207-Y240 HydrophobicContact CD1-CE2 4.1Å; L207-Y240 HydrophobicContact CG-CE2 4.4Å; A208-Y240 HydrophobicContact CB-CD2 3.99Å; V211-Y240 HydrophobicContact CG1-CE2 4.36Å; V211-Y240 HydrophobicContact CG2-CD2 3.57Å; V211-Y240 HydrophobicContact CG2-CE2 3.51Å; L232-Y240 HydrophobicContact CD1-CD1 3.91Å; L232-Y240 HydrophobicContact CD1-CD2 3.91Å; L232-Y240 HydrophobicContact CD1-CG 3.52Å; V236-Y240 WeakPolarHBondContact O-CB 3.27Å; V236-Y240 PolarHBondContact O-N 3.06Å; V237-Y240 PolarHBondContact O-N 2.94Å; Y240-T242 VanDerWaalsContact C-N 3.31Å; Y240-T242 PolarHBondContact O-N 2.69Å; Y240-C244 WeakPolarHBondContact CE1-SG 3.37Å; Y240-C244 VanDerWaalsContact O-CB 3.24Å; Y240-C244 WeakPolarHBondContact O-CB 3.38Å; Y240-C244 PolarHBondContact O-N 2.87Å; Y240-C244 PolarHBondContact O-SG 3.04Å; Y240-V251 HydrophobicContact CD1-CG2 4.42Å
241R98Very high97.5Very high90 Ų9072.6 Ų72.634%0.3433%0.332SS..Hα-helixtrans-61.6-39.3175.1178.9-178.5-71.5-104.87111.7V237 D238 E239 R245 V251V237-R241 VanDerWaalsContact O-CB 3.3Å; V237-R241 WeakPolarHBondContact O-CB 3.45Å; V237-R241 PolarHBondContact O-N 2.72Å; D238-R241 PolarHBondContact O-N 2.81Å; E239-R241 VanDerWaalsContact C-N 3.33Å; E239-R241 PolarHBondContact O-N 3.36Å; R241-R245 PolarHBondContact O-N 2.73Å; R241-R245 VanDerWaalsContact O-N 3.11Å; R241-V251 HydrophobicContact CB-CB 4.4Å; R241-V251 HydrophobicContact CB-CG2 4.16Å; R241-V251 HydrophobicContact CG-CB 4.14Å; R241-V251 HydrophobicContact CG-CG2 4.29Å; R241-V251 PolarHBondContact NH1-O 2.93Å; R241-V251 VanDerWaalsContact NH1-O 3.1Å
242T98Very high97.4Very high76 Ų7674.1 Ų74.147%0.46634%0.335SS..Hα-helixtrans-66.4-53178.2-57.20000111.1D238 E239 Y240 C244 R245 E246D238-T242 PolarHBondContact O-N 2.93Å; D238-T242 PolarHBondContact O-OG1 3.02Å; E239-T242 WeakPolarHBondContact O-CB 3.3Å; E239-T242 PolarHBondContact O-N 3.43Å; E239-T242 VanDerWaalsContact O-N 3.09Å; Y240-T242 VanDerWaalsContact C-N 3.31Å; Y240-T242 PolarHBondContact O-N 2.69Å; T242-C244 VanDerWaalsContact C-N 3.31Å; T242-C244 PolarHBondContact O-N 2.77Å; T242-R245 WeakPolarHBondContact O-CB 3.33Å; T242-R245 PolarHBondContact O-N 3.32Å; T242-E246 PolarHBondContact O-N 2.89Å; T242-E246 VanDerWaalsContact O-N 3.08Å
243H98.2Very high97.1Very high62 Ų6280.6 Ų80.629%0.28737%0.37SS..Hα-helixtrans-65.7-32.4178.6-62.2135.7000112.9L207 E239 E246 N247L207-H243 HydrophobicContact CB-CB 4.23Å; L207-H243 HydrophobicContact CD2-CB 4.14Å; L207-H243 PolarHBondContact O-ND1 2.81Å; E239-H243 VanDerWaalsContact CG-CE1 3.44Å; E239-H243 WeakPolarHBondContact CG-CE1 3.19Å; E239-H243 PolarHBondContact O-N 2.91Å; E239-H243 PolarHBondContact O-ND1 2.78Å; E239-H243 IonicContact OE1-CE1 3.04Å; H243-E246 IonicContact CD2-OE2 2.74Å; H243-E246 PolarHBondContact O-N 2.81Å; H243-N247 PolarHBondContact O-N 3.44Å; H243-N247 PolarHBondContact O-ND2 2.96Å
244C98.2Very high96.9Very high0 Ų078.4 Ų78.40%036%0.36CS..Hα-helixtrans-56.8-50.2169.1-82.40000110.9Y240 T242 E246 N247 K248 F249 V251Y240-C244 WeakPolarHBondContact CE1-SG 3.37Å; Y240-C244 VanDerWaalsContact O-CB 3.24Å; Y240-C244 WeakPolarHBondContact O-CB 3.38Å; Y240-C244 PolarHBondContact O-N 2.87Å; Y240-C244 PolarHBondContact O-SG 3.04Å; T242-C244 VanDerWaalsContact C-N 3.31Å; T242-C244 PolarHBondContact O-N 2.77Å; C244-E246 VanDerWaalsContact C-N 3.34Å; C244-E246 PolarHBondContact O-N 2.9Å; C244-N247 CarbonylContact O-C 3.41Å; C244-N247 WeakPolarHBondContact O-CA 3.36Å; C244-N247 PolarHBondContact O-N 3.43Å; C244-K248 PolarHBondContact O-N 3.32Å; C244-K248 VanDerWaalsContact O-N 3.16Å; C244-F249 CarbonylContact C-O 3.56Å; C244-F249 HydrophobicContact CB-CB 3.95Å; C244-F249 WeakPolarHBondContact O-CA 3.43Å; C244-F249 WeakPolarHBondContact O-CB 3.11Å; C244-F249 PolarHBondContact O-N 2.72Å; C244-F249 VanDerWaalsContact O-O 3.08Å; C244-V251 HydrophobicContact CB-CG2 3.78Å
245R97.2Very high96.7Very high208 Ų20878.1 Ų78.179%0.78537%0.371SS*.Hα-helixtrans-61.7-41.2-178-173.7-179.2177.6-172.8-1.1112.3R241 T242 N247 K248 F249R241-R245 PolarHBondContact O-N 2.73Å; R241-R245 VanDerWaalsContact O-N 3.11Å; T242-R245 WeakPolarHBondContact O-CB 3.33Å; T242-R245 PolarHBondContact O-N 3.32Å; R245-N247 PolarHBondContact O-N 3.25Å; R245-K248 PolarHBondContact O-N 3.46Å; R245-F249 WeakPolarHBondContact CA-O 3.28Å; R245-F249 PolarHBondContact N-O 3.28Å
246E97.5Very high96.5Very high133 Ų13370.7 Ų70.762%0.62134%0.338SS*.Hα-helixtrans-60.7-32.1175.3-68.9173.6177.200112.4T242 H243 C244 K248T242-E246 PolarHBondContact O-N 2.89Å; T242-E246 VanDerWaalsContact O-N 3.08Å; H243-E246 IonicContact CD2-OE2 2.74Å; H243-E246 PolarHBondContact O-N 2.81Å; C244-E246 VanDerWaalsContact C-N 3.34Å; C244-E246 PolarHBondContact O-N 2.9Å; E246-K248 VanDerWaalsContact C-N 3.32Å
247N97.5Very high96.2Very high42 Ų4273.2 Ų73.223%0.22535%0.351CS..THydrogen-bonded Turntrans-91.312.6175.4-71.5-88.7000113.5K203 H243 C244 R245 F249K203-N247 WeakPolarHBondContact CD-OD1 3.42Å; K203-N247 PolarHBondContact NZ-OD1 3.47Å; H243-N247 PolarHBondContact O-N 3.44Å; H243-N247 PolarHBondContact O-ND2 2.96Å; C244-N247 CarbonylContact O-C 3.41Å; C244-N247 WeakPolarHBondContact O-CA 3.36Å; C244-N247 PolarHBondContact O-N 3.43Å; R245-N247 PolarHBondContact O-N 3.25Å; N247-F249 HydrophobicContact CB-CD2 3.65Å; N247-F249 HydrophobicContact CB-CE2 3.45Å; N247-F249 VanDerWaalsContact CB-CE2 3.45Å; N247-F249 HydrophobicContact CB-CG 4.38Å; N247-F249 HydrophobicContact CB-CZ 4.04Å; N247-F249 PolarHBondContact O-N 3.38Å
248K97.3Very high95.8Very high157 Ų15776.9 Ų76.968%0.68337%0.367SS*.THydrogen-bonded Turntrans62.723.3-178.6-51.1177.4-179.7177.10114.4L196 C244 R245 E246L196-K248 HydrophobicContact CD1-CB 4Å; C244-K248 PolarHBondContact O-N 3.32Å; C244-K248 VanDerWaalsContact O-N 3.16Å; R245-K248 PolarHBondContact O-N 3.46Å; E246-K248 VanDerWaalsContact C-N 3.32Å
249F98.2Very high95.5Very high2 Ų277 Ų771%0.00936%0.363CS..  trans-94.7142.8168.3-45.9-42.9000109.5V190 V192 L196 D199 W200 L207 C244 R245 N247V190-F249 HydrophobicContact CG1-CB 3.81Å; V192-F249 HydrophobicContact CB-CD1 4.45Å; V192-F249 HydrophobicContact CG1-CD1 3.88Å; V192-F249 HydrophobicContact CG1-CE1 3.89Å; V192-F249 HydrophobicContact CG2-CD1 4.24Å; L196-F249 HydrophobicContact CB-CE1 3.92Å; L196-F249 HydrophobicContact CD1-CE1 4.19Å; D199-F249 HydrophobicContact CB-CZ 4.46Å; W200-F249 HydrophobicContact CB-CE1 4.21Å; W200-F249 HydrophobicContact CB-CZ 4.1Å; W200-F249 HydrophobicContact CE3-CD1 4.26Å; W200-F249 AromaticContact CE3-CD2 3.55Å; W200-F249 HydrophobicContact CE3-CD2 3.55Å; W200-F249 HydrophobicContact CE3-CE1 4.36Å; W200-F249 AromaticContact CE3-CE2 3.67Å; W200-F249 HydrophobicContact CE3-CE2 3.67Å; W200-F249 AromaticContact CE3-CG 3.86Å; W200-F249 HydrophobicContact CE3-CG 3.86Å; W200-F249 HydrophobicContact CE3-CZ 4.09Å; W200-F249 HydrophobicContact CZ3-CB 4.37Å; W200-F249 AromaticContact CZ3-CD2 3.77Å; W200-F249 HydrophobicContact CZ3-CD2 3.77Å; W200-F249 HydrophobicContact CZ3-CE2 4.27Å; W200-F249 HydrophobicContact CZ3-CG 4.12Å; L207-F249 HydrophobicContact CD1-CD2 4.11Å; L207-F249 HydrophobicContact CD1-CE2 4.36Å; C244-F249 CarbonylContact C-O 3.56Å; C244-F249 HydrophobicContact CB-CB 3.95Å; C244-F249 WeakPolarHBondContact O-CA 3.43Å; C244-F249 WeakPolarHBondContact O-CB 3.11Å; C244-F249 PolarHBondContact O-N 2.72Å; C244-F249 VanDerWaalsContact O-O 3.08Å; R245-F249 WeakPolarHBondContact CA-O 3.28Å; R245-F249 PolarHBondContact N-O 3.28Å; N247-F249 HydrophobicContact CB-CD2 3.65Å; N247-F249 HydrophobicContact CB-CE2 3.45Å; N247-F249 VanDerWaalsContact CB-CE2 3.45Å; N247-F249 HydrophobicContact CB-CG 4.38Å; N247-F249 HydrophobicContact CB-CZ 4.04Å; N247-F249 PolarHBondContact O-N 3.38Å
250I97.7Very high95.1Very high82 Ų8277.6 Ų77.642%0.42137%0.369SS..EExtended strand (participates in β ladder)trans-117.6110.5-174.7-65.3172.3000109.5L165 V190 V191 R252L165-I250 HydrophobicContact CD2-CB 4.08Å; L165-I250 HydrophobicContact CD2-CD1 3.46Å; L165-I250 VanDerWaalsContact CD2-CD1 3.46Å; L165-I250 HydrophobicContact CD2-CG1 4.31Å; L165-I250 HydrophobicContact CD2-CG2 4.16Å; V190-I250 CarbonylContact C-O 3.58Å; V190-I250 WeakPolarHBondContact CA-O 3.06Å; V191-I250 HydrophobicContact CB-CB 4.44Å; V191-I250 PolarHBondContact N-O 3.22Å; V191-I250 PolarHBondContact O-N 2.92Å; I250-R252 PolarHBondContact O-N 2.93Å
251V97.7Very high94.6Very high9 Ų978.9 Ų78.96%0.05538%0.376CS..EExtended strand (participates in β ladder)trans-74.5119.1172.2-173.60000109.1V188 L189 V190 Y240 R241 C244V188-V251 HydrophobicContact CB-CG1 4.07Å; V188-V251 HydrophobicContact CG2-CG1 4.48Å; L189-V251 CarbonylContact O-C 3.58Å; L189-V251 WeakPolarHBondContact O-CA 3.08Å; V190-V251 HydrophobicContact CG2-CG2 4.13Å; Y240-V251 HydrophobicContact CD1-CG2 4.42Å; R241-V251 HydrophobicContact CB-CB 4.4Å; R241-V251 HydrophobicContact CB-CG2 4.16Å; R241-V251 HydrophobicContact CG-CB 4.14Å; R241-V251 HydrophobicContact CG-CG2 4.29Å; R241-V251 PolarHBondContact NH1-O 2.93Å; R241-V251 VanDerWaalsContact NH1-O 3.1Å; C244-V251 HydrophobicContact CB-CG2 3.78Å
252R96.1Very high94.2Very high54 Ų5476.8 Ų76.820%0.20438%0.377CS..EExtended strand (participates in β ladder)trans-77.2135177-69.6-76.9-74.7147.53.3109.3L164 L165 T166 K167 L169 L189 V191 I250 F254L164-R252 PolarHBondContact O-NE 2.97Å; L164-R252 VanDerWaalsContact O-NE 3.14Å; L165-R252 PolarHBondContact O-NH1 3.36Å; T166-R252 PolarHBondContact O-NH2 3.02Å; K167-R252 PolarHBondContact O-NH2 2.88Å; L169-R252 HydrophobicContact CD1-CB 3.97Å; L169-R252 HydrophobicContact CD1-CG 4.08Å; L189-R252 HydrophobicContact CB-CB 4.3Å; L189-R252 PolarHBondContact O-N 2.81Å; V191-R252 HydrophobicContact CG2-CG 3.56Å; I250-R252 PolarHBondContact O-N 2.93Å; R252-F254 PolarHBondContact O-N 3.38Å; R252-F254 VanDerWaalsContact O-N 3.14Å
253D92.1Very high93.8Very high136 Ų13677.7 Ų77.773%0.72738%0.376SS*.  trans-77.197.4171.2-167.210.6000108.8
254F93.4Very high93.3Very high36 Ų3676.8 Ų76.816%0.15838%0.384CS..  trans-150.8127.5-176.7-174-86.2000109.8L169 V173 F178 L189 R252 Y256 L261L169-F254 HydrophobicContact CB-CD2 3.97Å; L169-F254 HydrophobicContact CB-CE2 3.95Å; L169-F254 HydrophobicContact CD1-CB 4.38Å; L169-F254 HydrophobicContact CD1-CD2 4.35Å; L169-F254 HydrophobicContact CD1-CG 4.42Å; V173-F254 HydrophobicContact CG2-CE1 3.72Å; V173-F254 HydrophobicContact CG2-CZ 3.65Å; F178-F254 HydrophobicContact CE1-CD1 4.08Å; F178-F254 HydrophobicContact CE1-CE1 4.19Å; F178-F254 HydrophobicContact CE2-CE1 4.44Å; F178-F254 AromaticContact CZ-CD1 3.95Å; F178-F254 HydrophobicContact CZ-CD1 3.95Å; F178-F254 AromaticContact CZ-CE1 3.69Å; F178-F254 HydrophobicContact CZ-CE1 3.69Å; L189-F254 HydrophobicContact CD1-CB 3.99Å; L189-F254 HydrophobicContact CD1-CD1 3.67Å; L189-F254 HydrophobicContact CD1-CE1 4.38Å; L189-F254 HydrophobicContact CD1-CG 3.89Å; R252-F254 PolarHBondContact O-N 3.38Å; R252-F254 VanDerWaalsContact O-N 3.14Å; F254-Y256 HydrophobicContact CE1-CD2 4.3Å; F254-L261 HydrophobicContact CZ-CD1 4.1Å; F254-L261 HydrophobicContact CZ-CD2 4.47Å
255V90.2Very high92.8Very high114 Ų11482.7 Ų82.769%0.69141%0.409SS*.  trans-118.3123.7172.7-179.20000107.3D257V255-D257 PolarHBondContact O-N 3.49Å
256Y92.7Very high92.5Very high32 Ų3277.7 Ų77.713%0.12540%0.398CS..  trans-71.4118.8178.4-173.2-87.2000110.3V173 K175 F178 L180 F254 E258 L261V173-Y256 HydrophobicContact CG2-CD2 4.04Å; V173-Y256 HydrophobicContact CG2-CE2 4.32Å; K175-Y256 VanDerWaalsContact CA-CZ 3.48Å; K175-Y256 WeakPolarHBondContact CA-OH 3.35Å; K175-Y256 HydrophobicContact CB-CE1 4.08Å; K175-Y256 WeakPolarHBondContact CB-OH 3.23Å; K175-Y256 HydrophobicContact CG-CE1 4.07Å; K175-Y256 PolarHBondContact N-OH 3.31Å; F178-Y256 HydrophobicContact CD2-CD1 4.39Å; F178-Y256 AromaticContact CD2-CD2 3.45Å; F178-Y256 HydrophobicContact CD2-CD2 3.45Å; F178-Y256 VanDerWaalsContact CD2-CD2 3.45Å; F178-Y256 HydrophobicContact CD2-CE2 4.23Å; F178-Y256 AromaticContact CD2-CG 3.54Å; F178-Y256 HydrophobicContact CD2-CG 3.54Å; F178-Y256 AromaticContact CE2-CD2 3.24Å; F178-Y256 HydrophobicContact CE2-CD2 3.24Å; F178-Y256 HydrophobicContact CE2-CE2 4.08Å; F178-Y256 AromaticContact CE2-CG 3.74Å; F178-Y256 HydrophobicContact CE2-CG 3.74Å; F178-Y256 HydrophobicContact CG-CD2 4.35Å; F178-Y256 HydrophobicContact CG-CG 4.02Å; F178-Y256 HydrophobicContact CZ-CD2 4.01Å; F178-Y256 HydrophobicContact CZ-CG 4.38Å; L180-Y256 HydrophobicContact CD1-CD1 4.17Å; L180-Y256 HydrophobicContact CD1-CE1 4.31Å; L180-Y256 HydrophobicContact CD2-CD1 3.9Å; F254-Y256 HydrophobicContact CE1-CD2 4.3Å; Y256-E258 HydrophobicContact CE1-CB 4.08Å; Y256-L261 HydrophobicContact CD2-CD2 4.2Å; Y256-L261 HydrophobicContact CE2-CD2 3.82Å
257D91Very high92.2Very high63 Ų6374.7 Ų74.734%0.33738%0.384SS..  trans-135.6108.7172.9-178.4-36.9000108.7V255 H259 L260 L261V255-D257 PolarHBondContact O-N 3.49Å; D257-H259 PolarHBondContact O-N 2.96Å; D257-H259 WeakPolarHBondContact OD1-CA 3.5Å; D257-H259 WeakPolarHBondContact OD1-CB 3.47Å; D257-H259 PolarHBondContact OD1-N 2.87Å; D257-L260 HydrophobicContact CB-CB 3.98Å; D257-L260 HydrophobicContact CB-CD1 3.86Å; D257-L260 HydrophobicContact CB-CG 4Å; D257-L260 PolarHBondContact O-N 3.24Å; D257-L260 PolarHBondContact OD1-N 3.5Å; D257-L261 WeakPolarHBondContact O-CD1 3.31Å; D257-L261 PolarHBondContact O-N 3.27Å
258E88.4Confident91.8Very high105 Ų10575.9 Ų75.949%0.49139%0.385SS..Hα-helixtrans-57.9-34.7-176.5-173.1164.4-16200112.4K175 Y256 A262K175-E258 IonicContact NZ-OE2 2.74Å; K175-E258 PolarHBondContact NZ-OE2 2.82Å; Y256-E258 HydrophobicContact CE1-CB 4.08Å; E258-A262 VanDerWaalsContact O-CB 3.28Å; E258-A262 WeakPolarHBondContact O-CB 3.33Å; E258-A262 PolarHBondContact O-N 3.48Å
259H90.4Very high91.6Very high125 Ų12572 Ų7258%0.57937%0.372SS*.Hα-helixtrans-74.8-43.7-179.6-176.9-107.4000111.3D257 A262 Q263D257-H259 PolarHBondContact O-N 2.96Å; D257-H259 WeakPolarHBondContact OD1-CA 3.5Å; D257-H259 WeakPolarHBondContact OD1-CB 3.47Å; D257-H259 PolarHBondContact OD1-N 2.87Å; H259-A262 PolarHBondContact O-N 3.46Å; H259-Q263 PolarHBondContact CE1-NE2 3.31Å; H259-Q263 PolarHBondContact ND1-NE2 3.31Å; H259-Q263 PolarHBondContact NE2-NE2 2.91Å; H259-Q263 WeakPolarHBondContact O-CB 3.37Å; H259-Q263 VanDerWaalsContact O-CG 3.32Å; H259-Q263 WeakPolarHBondContact O-CG 3.45Å; H259-Q263 PolarHBondContact O-N 3.46Å
260L88.3Confident91.4Very high103 Ų10379.2 Ų79.254%0.53940%0.399SS..Hα-helixtrans-64.6-40.9175.9-67.4177.7000112.1D257 Q263 G264D257-L260 HydrophobicContact CB-CB 3.98Å; D257-L260 HydrophobicContact CB-CD1 3.86Å; D257-L260 HydrophobicContact CB-CG 4Å; D257-L260 PolarHBondContact O-N 3.24Å; D257-L260 PolarHBondContact OD1-N 3.5Å; L260-Q263 PolarHBondContact O-N 3.5Å; L260-G264 PolarHBondContact O-N 3.1Å
261L88.7Confident91.2Very high28 Ų2876.1 Ų76.115%0.14738%0.384CS..Hα-helixtrans-62.6-44.8176.1-89.572.8000111.1F254 Y256 D257 G264 K265F254-L261 HydrophobicContact CZ-CD1 4.1Å; F254-L261 HydrophobicContact CZ-CD2 4.47Å; Y256-L261 HydrophobicContact CD2-CD2 4.2Å; Y256-L261 HydrophobicContact CE2-CD2 3.82Å; D257-L261 WeakPolarHBondContact O-CD1 3.31Å; D257-L261 PolarHBondContact O-N 3.27Å; L261-G264 PolarHBondContact O-N 2.86Å; L261-K265 PolarHBondContact O-N 2.93Å; L261-K265 VanDerWaalsContact O-N 3.11Å
262A89.3Confident91Very high45 Ų4577.1 Ų77.137%0.37239%0.393SS..Hα-helixtrans-62.1-42.6176.100000111.8E258 H259 K265 N266E258-A262 VanDerWaalsContact O-CB 3.28Å; E258-A262 WeakPolarHBondContact O-CB 3.33Å; E258-A262 PolarHBondContact O-N 3.48Å; H259-A262 PolarHBondContact O-N 3.46Å; A262-K265 PolarHBondContact O-N 3.06Å; A262-N266 VanDerWaalsContact O-CB 3.3Å; A262-N266 WeakPolarHBondContact O-CB 3.48Å; A262-N266 PolarHBondContact O-N 2.79Å; A262-N266 PolarHBondContact O-ND2 2.86Å
263Q89.6Confident91Very high96 Ų9677.3 Ų77.345%0.44941%0.406SS..Hα-helixtrans-60.9-46176.1-76.5-173.4-0.400112.5H259 L260 K265 N266 E267H259-Q263 PolarHBondContact CE1-NE2 3.31Å; H259-Q263 PolarHBondContact ND1-NE2 3.31Å; H259-Q263 PolarHBondContact NE2-NE2 2.91Å; H259-Q263 WeakPolarHBondContact O-CB 3.37Å; H259-Q263 VanDerWaalsContact O-CG 3.32Å; H259-Q263 WeakPolarHBondContact O-CG 3.45Å; H259-Q263 PolarHBondContact O-N 3.46Å; L260-Q263 PolarHBondContact O-N 3.5Å; Q263-K265 PolarHBondContact O-N 3Å; Q263-N266 PolarHBondContact O-N 2.96Å; Q263-E267 WeakPolarHBondContact O-CB 3.45Å; Q263-E267 PolarHBondContact O-N 3.11Å
264G87.2Confident91.2Very high43 Ų4373.8 Ų73.844%0.44339%0.385SS..Hα-helixtrans-61.1-43.7178.600000112.6L260 L261 E267 R268L260-G264 PolarHBondContact O-N 3.1Å; L261-G264 PolarHBondContact O-N 2.86Å; G264-E267 PolarHBondContact O-N 3.48Å; G264-R268 PolarHBondContact O-N 3.34Å
265K87.8Confident91.2Very high123 Ų12373.9 Ų73.954%0.53539%0.386SS..Hα-helixtrans-64.6-43.4175.7-173.4175.8-179.1177.20112L261 A262 Q263 E267 R268 N269L261-K265 PolarHBondContact O-N 2.93Å; L261-K265 VanDerWaalsContact O-N 3.11Å; A262-K265 PolarHBondContact O-N 3.06Å; Q263-K265 PolarHBondContact O-N 3Å; K265-E267 VanDerWaalsContact C-N 3.32Å; K265-E267 PolarHBondContact O-N 2.71Å; K265-R268 PolarHBondContact O-N 3.12Å; K265-N269 WeakPolarHBondContact O-CB 3.05Å; K265-N269 VanDerWaalsContact O-CG 3.23Å; K265-N269 PolarHBondContact O-N 3.02Å; K265-N269 PolarHBondContact O-ND2 2.77Å
266N91.3Very high91.3Very high103 Ų10374 Ų7455%0.55138%0.382SS*.Hα-helixtrans-62.4-41177.2-73.5-18.4000111.4A262 Q263 N269 R270A262-N266 VanDerWaalsContact O-CB 3.3Å; A262-N266 WeakPolarHBondContact O-CB 3.48Å; A262-N266 PolarHBondContact O-N 2.79Å; A262-N266 PolarHBondContact O-ND2 2.86Å; Q263-N266 PolarHBondContact O-N 2.96Å; N266-N269 PolarHBondContact O-N 2.96Å; N266-R270 VanDerWaalsContact O-CB 3.26Å; N266-R270 WeakPolarHBondContact O-CB 3.31Å; N266-R270 PolarHBondContact O-N 2.72Å
267E90.9Very high91.4Very high70 Ų7079.2 Ų79.233%0.32741%0.406SS..Hα-helixtrans-64.8-45.8178.1179.759.2-171.600112.1Q263 G264 K265 N269 R270 L271Q263-E267 WeakPolarHBondContact O-CB 3.45Å; Q263-E267 PolarHBondContact O-N 3.11Å; G264-E267 PolarHBondContact O-N 3.48Å; K265-E267 VanDerWaalsContact C-N 3.32Å; K265-E267 PolarHBondContact O-N 2.71Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 2.91Å; E267-R270 VanDerWaalsContact CD-NH2 3.28Å; E267-R270 WeakPolarHBondContact O-CB 3.32Å; E267-R270 PolarHBondContact O-N 2.92Å; E267-R270 IonicContact OE1-CZ 3.79Å; E267-R270 IonicContact OE1-NE 2.67Å; E267-R270 IonicContact OE1-NH2 3.12Å; E267-R270 PolarHBondContact OE1-NH2 2.98Å; E267-R270 IonicContact OE2-CZ 3.61Å; E267-R270 VanDerWaalsContact OE2-CZ 3.23Å; E267-R270 IonicContact OE2-NE 2.76Å; E267-R270 PolarHBondContact OE2-NE 3.38Å; E267-R270 IonicContact OE2-NH2 2.73Å; E267-R270 PolarHBondContact OE2-NH2 3.24Å; E267-L271 HydrophobicContact CG-CD1 4.26Å; E267-L271 WeakPolarHBondContact O-CG 3.41Å; E267-L271 PolarHBondContact O-N 3.13Å
268R89.5Confident91.6Very high67 Ų6779.7 Ų79.725%0.25341%0.406SS..Hα-helixtrans-57.8-47.3175.1-172.8-173.968-176.4-9111.2L153 L156 E171 G264 K265 R270 L271 A272L153-R268 HydrophobicContact CD1-CG 4.18Å; L156-R268 HydrophobicContact CD1-CB 4.16Å; L156-R268 HydrophobicContact CD1-CG 4.41Å; E171-R268 IonicContact OE1-CZ 2.76Å; E171-R268 IonicContact OE1-NH1 2.77Å; E171-R268 PolarHBondContact OE1-NH1 3.48Å; E171-R268 IonicContact OE1-NH2 2.71Å; E171-R268 PolarHBondContact OE1-NH2 3.43Å; E171-R268 IonicContact OE2-NH1 3.54Å; G264-R268 PolarHBondContact O-N 3.34Å; K265-R268 PolarHBondContact O-N 3.12Å; R268-R270 VanDerWaalsContact C-N 3.33Å; R268-R270 PolarHBondContact O-N 3.09Å; R268-L271 PolarHBondContact O-N 3.32Å; R268-A272 WeakPolarHBondContact O-CB 2.97Å; R268-A272 PolarHBondContact O-N 2.99Å
269N92.6Very high91.8Very high77 Ų7777.9 Ų77.941%0.41240%0.397SS..Hα-helixtrans-64.8-38.6179.9-69.4-10.4000111.7K265 N266 E267 A272 A273K265-N269 WeakPolarHBondContact O-CB 3.05Å; K265-N269 VanDerWaalsContact O-CG 3.23Å; K265-N269 PolarHBondContact O-N 3.02Å; K265-N269 PolarHBondContact O-ND2 2.77Å; N266-N269 PolarHBondContact O-N 2.96Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 2.91Å; N269-A272 PolarHBondContact O-N 2.9Å; N269-A273 VanDerWaalsContact O-CB 3.29Å; N269-A273 WeakPolarHBondContact O-CB 3.48Å; N269-A273 PolarHBondContact O-N 2.93Å
270R94.7Very high92Very high152 Ų15273.9 Ų73.957%0.57439%0.389SS*.Hα-helixtrans-61.4-48.5175.7-173.9-17675.11111.9111.2N266 E267 R268 A273 E274N266-R270 VanDerWaalsContact O-CB 3.26Å; N266-R270 WeakPolarHBondContact O-CB 3.31Å; N266-R270 PolarHBondContact O-N 2.72Å; E267-R270 VanDerWaalsContact CD-NH2 3.28Å; E267-R270 WeakPolarHBondContact O-CB 3.32Å; E267-R270 PolarHBondContact O-N 2.92Å; E267-R270 IonicContact OE1-CZ 3.79Å; E267-R270 IonicContact OE1-NE 2.67Å; E267-R270 IonicContact OE1-NH2 3.12Å; E267-R270 PolarHBondContact OE1-NH2 2.98Å; E267-R270 IonicContact OE2-CZ 3.61Å; E267-R270 VanDerWaalsContact OE2-CZ 3.23Å; E267-R270 IonicContact OE2-NE 2.76Å; E267-R270 PolarHBondContact OE2-NE 3.38Å; E267-R270 IonicContact OE2-NH2 2.73Å; E267-R270 PolarHBondContact OE2-NH2 3.24Å; R268-R270 VanDerWaalsContact C-N 3.33Å; R268-R270 PolarHBondContact O-N 3.09Å; R270-A273 PolarHBondContact O-N 2.81Å; R270-E274 WeakPolarHBondContact O-CB 2.99Å; R270-E274 PolarHBondContact O-N 2.83Å
271L94.1Very high92.3Very high17 Ų1772.9 Ų72.99%0.08939%0.389CS..Hα-helixtrans-64.6-41.5178.8-70.6174000112.2L149 L153 L156 E267 R268 E274 K275L149-L271 HydrophobicContact CD2-CD2 4.02Å; L153-L271 HydrophobicContact CD1-CB 4.25Å; L156-L271 HydrophobicContact CD1-CD1 3.67Å; E267-L271 HydrophobicContact CG-CD1 4.26Å; E267-L271 WeakPolarHBondContact O-CG 3.41Å; E267-L271 PolarHBondContact O-N 3.13Å; R268-L271 PolarHBondContact O-N 3.32Å; L271-E274 PolarHBondContact O-N 3.23Å; L271-K275 WeakPolarHBondContact O-CB 3.33Å; L271-K275 PolarHBondContact O-N 2.78Å
272A93.5Very high92.6Very high30 Ų3072.1 Ų72.125%0.24839%0.385CS..Hα-helixtrans-63.2-43.6175.600000112L153 R268 N269 K275 N276L153-A272 HydrophobicContact CD1-CB 4.14Å; L153-A272 HydrophobicContact CD2-CB 4.31Å; R268-A272 WeakPolarHBondContact O-CB 2.97Å; R268-A272 PolarHBondContact O-N 2.99Å; N269-A272 PolarHBondContact O-N 2.9Å; A272-K275 PolarHBondContact O-N 3.49Å; A272-N276 WeakPolarHBondContact O-CB 3.39Å; A272-N276 VanDerWaalsContact O-CG 3.32Å; A272-N276 PolarHBondContact O-N 2.99Å; A272-N276 PolarHBondContact O-ND2 3.07Å
273A95.5Very high92.9Very high59 Ų5970.9 Ų70.949%0.48837%0.373SS..Hα-helixtrans-63.3-43.3176.300000111.8N269 R270 N276 K277N269-A273 VanDerWaalsContact O-CB 3.29Å; N269-A273 WeakPolarHBondContact O-CB 3.48Å; N269-A273 PolarHBondContact O-N 2.93Å; R270-A273 PolarHBondContact O-N 2.81Å; A273-N276 PolarHBondContact O-N 2.81Å; A273-K277 VanDerWaalsContact O-CB 3.28Å; A273-K277 WeakPolarHBondContact O-CB 3.38Å; A273-K277 PolarHBondContact O-N 2.94Å
274E95.1Very high93Very high62 Ų6274.9 Ų74.929%0.2938%0.383SS..Hα-helixtrans-66.5-42.2178.1-170.559.4-150.900111.7L149 R270 L271 N276 K277 Q278L149-E274 HydrophobicContact CD1-CG 3.97Å; L149-E274 HydrophobicContact CD2-CG 4.21Å; R270-E274 WeakPolarHBondContact O-CB 2.99Å; R270-E274 PolarHBondContact O-N 2.83Å; L271-E274 PolarHBondContact O-N 3.23Å; E274-N276 VanDerWaalsContact C-N 3.32Å; E274-N276 PolarHBondContact O-N 3.46Å; E274-K277 PolarHBondContact O-N 3.45Å; E274-Q278 HydrophobicContact CG-CG 4.4Å; E274-Q278 WeakPolarHBondContact O-CB 3.43Å; E274-Q278 VanDerWaalsContact O-CG 3.27Å; E274-Q278 WeakPolarHBondContact O-CG 3.46Å; E274-Q278 PolarHBondContact O-N 2.8Å; E274-Q278 WeakPolarHBondContact OE1-CG 3.47Å; E274-Q278 PolarHBondContact OE1-NE2 3.08Å
275K93.8Very high93.4Very high37 Ų3774.9 Ų74.916%0.16137%0.37CS..Hα-helixtrans-54.5-49.8172.5-178.8-165.3171.9-171.20110.7Y146 L153 L271 A272 K277 Q278 F279Y146-K275 HydrophobicContact CE2-CG 4.16Å; Y146-K275 WeakPolarHBondContact OH-CE 3.4Å; L153-K275 HydrophobicContact CD2-CD 3.93Å; L271-K275 WeakPolarHBondContact O-CB 3.33Å; L271-K275 PolarHBondContact O-N 2.78Å; A272-K275 PolarHBondContact O-N 3.49Å; K275-K277 PolarHBondContact O-N 2.78Å; K275-Q278 PolarHBondContact O-N 2.84Å; K275-F279 PolarHBondContact O-N 2.74Å
276N92.8Very high93.8Very high116 Ų11669 Ų6962%0.6235%0.345SS*.Hα-helixtrans-66.2-38.5-178.5-72.4-15.4000112.1A272 A273 E274 F279A272-N276 WeakPolarHBondContact O-CB 3.39Å; A272-N276 VanDerWaalsContact O-CG 3.32Å; A272-N276 PolarHBondContact O-N 2.99Å; A272-N276 PolarHBondContact O-ND2 3.07Å; A273-N276 PolarHBondContact O-N 2.81Å; E274-N276 VanDerWaalsContact C-N 3.32Å; E274-N276 PolarHBondContact O-N 3.46Å; N276-F279 PolarHBondContact O-N 2.79Å
277K95.2Very high93.8Very high142 Ų14268 Ų6862%0.61734%0.336SS*.Hα-helixtrans-64.5-39176.3-176.6-177.1174.5-169.50112.3A273 E274 K275 P281A273-K277 VanDerWaalsContact O-CB 3.28Å; A273-K277 WeakPolarHBondContact O-CB 3.38Å; A273-K277 PolarHBondContact O-N 2.94Å; E274-K277 PolarHBondContact O-N 3.45Å; K275-K277 PolarHBondContact O-N 2.78Å; K277-P281 WeakPolarHBondContact O-CD 3.37Å; K277-P281 WeakPolarHBondContact O-CG 3.43Å
278Q93.9Very high93.9Very high74 Ų7468 Ų6835%0.34634%0.337SS..Hα-helixtrans-77.1-27.5-179.8-68.4-69.5-7.400113.1Y146 L149 E274 K275 G280 P281 L282Y146-Q278 HydrophobicContact CD2-CB 4.03Å; Y146-Q278 HydrophobicContact CE2-CB 4.22Å; L149-Q278 HydrophobicContact CD1-CG 4.16Å; E274-Q278 HydrophobicContact CG-CG 4.4Å; E274-Q278 WeakPolarHBondContact O-CB 3.43Å; E274-Q278 VanDerWaalsContact O-CG 3.27Å; E274-Q278 WeakPolarHBondContact O-CG 3.46Å; E274-Q278 PolarHBondContact O-N 2.8Å; E274-Q278 WeakPolarHBondContact OE1-CG 3.47Å; E274-Q278 PolarHBondContact OE1-NE2 3.08Å; K275-Q278 PolarHBondContact O-N 2.84Å; Q278-G280 PolarHBondContact O-N 3.5Å; Q278-P281 WeakPolarHBondContact O-CD 3.45Å; Q278-L282 WeakPolarHBondContact O-CB 3.47Å; Q278-L282 PolarHBondContact O-N 3.43Å
279F94.2Very high94Very high67 Ų6765.8 Ų65.829%0.29433%0.33SS..Hα-helixtrans-57.9-52.7-175.4178.7-99.3000113.3I77 Y146 K275 N276 L282 V283I77-F279 HydrophobicContact CG2-CD2 3.79Å; I77-F279 HydrophobicContact CG2-CE2 3.4Å; I77-F279 HydrophobicContact CG2-CZ 4.4Å; I77-F279 WeakPolarHBondContact O-CE2 3.5Å; Y146-F279 HydrophobicContact CE2-CB 4.32Å; Y146-F279 WeakPolarHBondContact OH-CD2 3.38Å; K275-F279 PolarHBondContact O-N 2.74Å; N276-F279 PolarHBondContact O-N 2.79Å; F279-L282 PolarHBondContact O-N 2.69Å; F279-V283 HydrophobicContact CD1-CG2 4.31Å; F279-V283 HydrophobicContact CD2-CG2 4.33Å; F279-V283 HydrophobicContact CE1-CG2 3.92Å; F279-V283 HydrophobicContact CE2-CG2 3.98Å; F279-V283 HydrophobicContact CZ-CG2 3.75Å; F279-V283 WeakPolarHBondContact O-CG2 3.28Å; F279-V283 PolarHBondContact O-N 3.23Å
280G93.2Very high94.1Very high40 Ų4062.1 Ų62.141%0.41231%0.31SS..Hα-helixtrans-59.1-53.2-178.100000113.6Q278 L282 V283 R284Q278-G280 PolarHBondContact O-N 3.5Å; G280-L282 VanDerWaalsContact C-N 3.27Å; G280-L282 PolarHBondContact O-N 3.02Å; G280-V283 PolarHBondContact O-N 3.31Å; G280-R284 PolarHBondContact O-N 3.17Å
281P95.4Very high93.9Very high82 Ų8255 Ų5553%0.53228%0.284SS..Hα-helixtrans-56-38.6173.3-27.836000113.6K277 Q278 R284 W285K277-P281 WeakPolarHBondContact O-CD 3.37Å; K277-P281 WeakPolarHBondContact O-CG 3.43Å; Q278-P281 WeakPolarHBondContact O-CD 3.45Å; P281-R284 PolarHBondContact O-N 3.2Å; P281-W285 WeakPolarHBondContact O-CB 3.25Å; P281-W285 PolarHBondContact O-N 3.41Å
282L95.8Very high93.7Very high12 Ų1257.2 Ų57.26%0.06329%0.294CS..Hα-helixtrans-67.3-46.7178.9-177.951.5000112I77 K142 Y146 Q278 F279 G280 R284 W285 L286I77-L282 HydrophobicContact CD1-CD2 3.21Å; I77-L282 HydrophobicContact CD1-CG 3.72Å; K142-L282 HydrophobicContact CB-CD1 4Å; K142-L282 HydrophobicContact CD-CD1 4.08Å; K142-L282 HydrophobicContact CG-CD1 4.5Å; Y146-L282 HydrophobicContact CD1-CD2 3.99Å; Y146-L282 HydrophobicContact CD2-CD2 3.57Å; Y146-L282 HydrophobicContact CE2-CD2 4.24Å; Y146-L282 HydrophobicContact CG-CD2 3.43Å; Y146-L282 VanDerWaalsContact CG-CD2 3.43Å; Q278-L282 WeakPolarHBondContact O-CB 3.47Å; Q278-L282 PolarHBondContact O-N 3.43Å; F279-L282 PolarHBondContact O-N 2.69Å; G280-L282 VanDerWaalsContact C-N 3.27Å; G280-L282 PolarHBondContact O-N 3.02Å; L282-R284 VanDerWaalsContact C-N 3.32Å; L282-R284 PolarHBondContact O-N 3.08Å; L282-W285 PolarHBondContact O-N 2.91Å; L282-L286 HydrophobicContact CD1-CD1 4.38Å; L282-L286 HydrophobicContact CD1-CG 4.35Å; L282-L286 HydrophobicContact CG-CD1 4.27Å; L282-L286 WeakPolarHBondContact O-CG 3.36Å; L282-L286 PolarHBondContact O-N 3.43Å
283V94.3Very high93.7Very high20 Ų2055.8 Ų55.812%0.12128%0.282CS..Hα-helixtrans-58.2-44.9174.21680000110.9F74 I77 F279 G280 W285 L286 K287F74-V283 HydrophobicContact CE2-CB 4.43Å; F74-V283 HydrophobicContact CE2-CG1 3.92Å; F74-V283 HydrophobicContact CE2-CG2 4.29Å; F74-V283 HydrophobicContact CZ-CG1 3.99Å; I77-V283 HydrophobicContact CG2-CG2 4.23Å; F279-V283 HydrophobicContact CD1-CG2 4.31Å; F279-V283 HydrophobicContact CD2-CG2 4.33Å; F279-V283 HydrophobicContact CE1-CG2 3.92Å; F279-V283 HydrophobicContact CE2-CG2 3.98Å; F279-V283 HydrophobicContact CZ-CG2 3.75Å; F279-V283 WeakPolarHBondContact O-CG2 3.28Å; F279-V283 PolarHBondContact O-N 3.23Å; G280-V283 PolarHBondContact O-N 3.31Å; V283-W285 VanDerWaalsContact C-N 3.34Å; V283-W285 PolarHBondContact O-N 3.06Å; V283-L286 PolarHBondContact O-N 3.47Å; V283-K287 WeakPolarHBondContact O-CG 3.49Å; V283-K287 PolarHBondContact O-N 2.95Å
284R93.1Very high93.5Very high179 Ų17953 Ų5368%0.67526%0.259SS*.Hα-helixtrans-60.9-43.6176.5-177.1177.6-179.6169.70.8111.7G280 P281 L282 K287 I288G280-R284 PolarHBondContact O-N 3.17Å; P281-R284 PolarHBondContact O-N 3.2Å; L282-R284 VanDerWaalsContact C-N 3.32Å; L282-R284 PolarHBondContact O-N 3.08Å; R284-K287 PolarHBondContact O-N 2.74Å; R284-I288 HydrophobicContact CG-CD1 4.01Å; R284-I288 WeakPolarHBondContact O-CG1 3.47Å; R284-I288 PolarHBondContact O-N 3.03Å
285W95.1Very high93.3Very high43 Ų4350 Ų5016%0.16325%0.245CC..Hα-helixtrans-62.5-43.5177.4-174.390.7000111.3I135 D138 L139 K142 P281 L282 V283 K287 I288 N289I135-W285 HydrophobicContact CG2-CH2 4.36Å; D138-W285 HydrophobicContact CB-CH2 4.06Å; D138-W285 HydrophobicContact CB-CZ2 3.54Å; L139-W285 HydrophobicContact CB-CH2 4.04Å; L139-W285 HydrophobicContact CB-CZ3 4.31Å; L139-W285 HydrophobicContact CD1-CZ3 4.09Å; K142-W285 HydrophobicContact CD-CD2 3.48Å; K142-W285 VanDerWaalsContact CD-CD2 3.48Å; K142-W285 HydrophobicContact CD-CE3 3.66Å; K142-W285 HydrophobicContact CD-CG 3.95Å; K142-W285 HydrophobicContact CD-CH2 4.29Å; K142-W285 HydrophobicContact CD-CZ2 4.14Å; K142-W285 HydrophobicContact CD-CZ3 4.06Å; K142-W285 VanDerWaalsContact CE-CD1 3.5Å; K142-W285 VanDerWaalsContact CE-CD2 3.43Å; K142-W285 VanDerWaalsContact CE-NE1 3.3Å; P281-W285 WeakPolarHBondContact O-CB 3.25Å; P281-W285 PolarHBondContact O-N 3.41Å; L282-W285 PolarHBondContact O-N 2.91Å; V283-W285 VanDerWaalsContact C-N 3.34Å; V283-W285 PolarHBondContact O-N 3.06Å; W285-K287 PolarHBondContact O-N 2.78Å; W285-I288 PolarHBondContact O-N 3.25Å; W285-N289 HydrophobicContact CD2-CB 4.5Å; W285-N289 VanDerWaalsContact CD2-ND2 3.27Å; W285-N289 HydrophobicContact CE3-CB 4.43Å; W285-N289 HydrophobicContact CH2-CB 4.17Å; W285-N289 HydrophobicContact CZ2-CB 4.24Å; W285-N289 HydrophobicContact CZ3-CB 4.27Å; W285-N289 PolarHBondContact NE1-ND2 3.1Å; W285-N289 VanDerWaalsContact NE1-ND2 3.13Å; W285-N289 WeakPolarHBondContact O-CB 3.47Å; W285-N289 PolarHBondContact O-N 3.39Å; W285-N289 PolarHBondContact O-ND2 2.95Å
286L95.3Very high93.1Very high0 Ų048.6 Ų48.60%024%0.24CC..Hα-helixtrans-60.7-43.9177.5-71.8166.6000112L70 Y73 F74 I77 L139 L282 V283 N289 F290L70-L286 HydrophobicContact CD2-CD2 4.12Å; L70-L286 HydrophobicContact CG-CD2 4.08Å; Y73-L286 HydrophobicContact CD1-CD1 4.44Å; Y73-L286 HydrophobicContact CD1-CD2 4.16Å; F74-L286 HydrophobicContact CB-CD1 4.18Å; F74-L286 HydrophobicContact CD1-CB 3.86Å; F74-L286 HydrophobicContact CD2-CB 4.24Å; F74-L286 HydrophobicContact CD2-CD1 3.77Å; F74-L286 HydrophobicContact CE1-CB 3.98Å; F74-L286 HydrophobicContact CE2-CB 4.36Å; F74-L286 HydrophobicContact CE2-CD1 4.32Å; F74-L286 HydrophobicContact CG-CB 4Å; F74-L286 HydrophobicContact CG-CD1 3.98Å; F74-L286 HydrophobicContact CZ-CB 4.22Å; I77-L286 HydrophobicContact CD1-CD1 4.24Å; L139-L286 HydrophobicContact CD1-CD2 4Å; L282-L286 HydrophobicContact CD1-CD1 4.38Å; L282-L286 HydrophobicContact CD1-CG 4.35Å; L282-L286 HydrophobicContact CG-CD1 4.27Å; L282-L286 WeakPolarHBondContact O-CG 3.36Å; L282-L286 PolarHBondContact O-N 3.43Å; V283-L286 PolarHBondContact O-N 3.47Å; L286-N289 PolarHBondContact O-N 2.81Å; L286-F290 WeakPolarHBondContact O-CB 3.4Å; L286-F290 PolarHBondContact O-N 2.94Å
287K92.7Very high93.1Very high83 Ų8343.1 Ų43.136%0.36121%0.211SC..Hα-helixtrans-58.6-49.7175.8-69.4-178.1-179.2-160.80112.8F74 N88 V283 R284 W285 F290 S291F74-K287 HydrophobicContact CE1-CG 3.82Å; F74-K287 HydrophobicContact CZ-CG 3.73Å; N88-K287 WeakPolarHBondContact OD1-CE 3.43Å; N88-K287 PolarHBondContact OD1-NZ 2.77Å; V283-K287 WeakPolarHBondContact O-CG 3.49Å; V283-K287 PolarHBondContact O-N 2.95Å; R284-K287 PolarHBondContact O-N 2.74Å; W285-K287 PolarHBondContact O-N 2.78Å; K287-F290 PolarHBondContact O-N 3.42Å; K287-S291 PolarHBondContact O-N 3.33Å; K287-S291 VanDerWaalsContact O-N 3.16Å
288I91.9Very high92.9Very high69 Ų6936.3 Ų36.335%0.35418%0.181SC..Hα-helixtrans-62.9-49.2-178.1-67.3167.2000109.6R284 W285 F290 S291 E292R284-I288 HydrophobicContact CG-CD1 4.01Å; R284-I288 WeakPolarHBondContact O-CG1 3.47Å; R284-I288 PolarHBondContact O-N 3.03Å; W285-I288 PolarHBondContact O-N 3.25Å; I288-F290 VanDerWaalsContact C-N 3.33Å; I288-F290 PolarHBondContact O-N 3.5Å; I288-S291 WeakPolarHBondContact O-CB 3.34Å; I288-S291 PolarHBondContact O-N 3.43Å; I288-E292 WeakPolarHBondContact O-CG 3.37Å; I288-E292 PolarHBondContact O-N 3.06Å
289N92.7Very high92.8Very high20 Ų2033 Ų3311%0.10717%0.166CC..Hα-helixtrans-74.3-26-175.6-71.6-88.1000112.4L70 I135 W285 L286 M293L70-N289 HydrophobicContact CD1-CB 3.95Å; I135-N289 HydrophobicContact CG2-CB 4.04Å; W285-N289 HydrophobicContact CD2-CB 4.5Å; W285-N289 VanDerWaalsContact CD2-ND2 3.27Å; W285-N289 HydrophobicContact CE3-CB 4.43Å; W285-N289 HydrophobicContact CH2-CB 4.17Å; W285-N289 HydrophobicContact CZ2-CB 4.24Å; W285-N289 HydrophobicContact CZ3-CB 4.27Å; W285-N289 PolarHBondContact NE1-ND2 3.1Å; W285-N289 VanDerWaalsContact NE1-ND2 3.13Å; W285-N289 WeakPolarHBondContact O-CB 3.47Å; W285-N289 PolarHBondContact O-N 3.39Å; W285-N289 PolarHBondContact O-ND2 2.95Å; L286-N289 PolarHBondContact O-N 2.81Å; N289-M293 WeakPolarHBondContact O-CB 3.48Å; N289-M293 PolarHBondContact O-N 2.96Å
290F93.8Very high92.7Very high0 Ų029.9 Ų29.90%015%0.152CC..Hα-helixtrans-59.4-51.8167173.1-104.5000110.8T67 L70 V71 L89 V91 I115 L286 K287 I288 E292 M293 F294 L385T67-F290 HydrophobicContact CG2-CD2 4.49Å; T67-F290 HydrophobicContact CG2-CE2 4.14Å; L70-F290 HydrophobicContact CD2-CB 3.7Å; L70-F290 HydrophobicContact CD2-CD2 4.3Å; L70-F290 HydrophobicContact CD2-CG 4.47Å; V71-F290 HydrophobicContact CG2-CD2 3.72Å; V71-F290 HydrophobicContact CG2-CE2 3.61Å; L89-F290 VanDerWaalsContact C-CE1 3.46Å; L89-F290 HydrophobicContact CB-CD1 4.1Å; L89-F290 HydrophobicContact CB-CE1 3.64Å; L89-F290 HydrophobicContact CB-CZ 3.9Å; L89-F290 HydrophobicContact CD2-CB 4.47Å; L89-F290 HydrophobicContact CD2-CD1 3.93Å; L89-F290 HydrophobicContact CD2-CD2 3.75Å; L89-F290 HydrophobicContact CD2-CE1 4.12Å; L89-F290 HydrophobicContact CD2-CE2 3.95Å; L89-F290 HydrophobicContact CD2-CG 3.74Å; L89-F290 HydrophobicContact CD2-CZ 4.13Å; L89-F290 HydrophobicContact CG-CE1 4.42Å; L89-F290 HydrophobicContact CG-CZ 4.4Å; V91-F290 HydrophobicContact CG2-CE1 3.99Å; I115-F290 HydrophobicContact CD1-CE1 4.27Å; I115-F290 HydrophobicContact CD1-CZ 3.64Å; I115-F290 HydrophobicContact CG1-CE1 4.16Å; I115-F290 HydrophobicContact CG1-CZ 3.89Å; L286-F290 WeakPolarHBondContact O-CB 3.4Å; L286-F290 PolarHBondContact O-N 2.94Å; K287-F290 PolarHBondContact O-N 3.42Å; I288-F290 VanDerWaalsContact C-N 3.33Å; I288-F290 PolarHBondContact O-N 3.5Å; F290-E292 PolarHBondContact O-N 3.29Å; F290-M293 PolarHBondContact O-N 3.22Å; F290-F294 HydrophobicContact CE2-CB 4.26Å; F290-F294 HydrophobicContact CE2-CD2 4.39Å; F290-F294 HydrophobicContact CZ-CB 4.14Å; F290-F294 HydrophobicContact CZ-CD2 4.23Å; F290-F294 HydrophobicContact CZ-CG 4.25Å; F290-F294 VanDerWaalsContact O-CB 3.3Å; F290-F294 WeakPolarHBondContact O-CB 3.27Å; F290-F294 PolarHBondContact O-N 3.2Å; F290-L385 HydrophobicContact CE2-CD1 3.62Å; F290-L385 HydrophobicContact CZ-CD1 3.91Å
291S91.3Very high92.6Very high2 Ų228.1 Ų28.11%0.01413%0.133CC..Hα-helixtrans-57.4-48.5178170.60000111.8Q90 Q92 K287 I288 M293 S295Q90-S291 WeakPolarHBondContact O-CB 3.3Å; Q92-S291 PolarHBondContact N-OG 3.29Å; K287-S291 PolarHBondContact O-N 3.33Å; K287-S291 VanDerWaalsContact O-N 3.16Å; I288-S291 WeakPolarHBondContact O-CB 3.34Å; I288-S291 PolarHBondContact O-N 3.43Å; S291-M293 PolarHBondContact O-N 3.05Å; S291-S295 WeakPolarHBondContact O-CB 3.35Å; S291-S295 PolarHBondContact O-N 3.39Å
292E90.3Very high92.5Very high64 Ų6424.2 Ų24.230%0.29911%0.108SC..Hα-helixtrans-59.9-46.3177.2-70.2-57.1134.400111.9K128 I135 I288 F290 A296K128-E292 IonicContact NZ-OE1 2.79Å; K128-E292 PolarHBondContact NZ-OE1 3.48Å; K128-E292 IonicContact NZ-OE2 3.2Å; K128-E292 PolarHBondContact NZ-OE2 3.47Å; I135-E292 HydrophobicContact CD1-CB 4.1Å; I288-E292 WeakPolarHBondContact O-CG 3.37Å; I288-E292 PolarHBondContact O-N 3.06Å; F290-E292 PolarHBondContact O-N 3.29Å; E292-A296 VanDerWaalsContact O-CB 3.28Å; E292-A296 WeakPolarHBondContact O-CB 3.36Å; E292-A296 PolarHBondContact O-N 3.27Å
293M91.7Very high92.3Very high0 Ų025.9 Ų25.90%012%0.116CC..Hα-helixtrans-69.1-46.1-176.4-167.870.7-85.100111.7A63 V66 T67 V132 I135 N289 F290 S291 S295 A296 W297A63-M293 HydrophobicContact CB-CE 4.12Å; V66-M293 HydrophobicContact CB-SD 4.15Å; V66-M293 HydrophobicContact CG1-CG 4.29Å; V66-M293 HydrophobicContact CG1-SD 3.74Å; T67-M293 WeakPolarHBondContact OG1-CG 3.41Å; V132-M293 HydrophobicContact CB-CE 3.91Å; V132-M293 HydrophobicContact CB-SD 4.22Å; V132-M293 HydrophobicContact CG1-CE 3.81Å; V132-M293 HydrophobicContact CG1-SD 3.75Å; V132-M293 HydrophobicContact CG2-CE 3.44Å; V132-M293 VanDerWaalsContact CG2-CE 3.44Å; V132-M293 HydrophobicContact CG2-SD 4.4Å; I135-M293 HydrophobicContact CD1-SD 4.44Å; N289-M293 WeakPolarHBondContact O-CB 3.48Å; N289-M293 PolarHBondContact O-N 2.96Å; F290-M293 PolarHBondContact O-N 3.22Å; S291-M293 PolarHBondContact O-N 3.05Å; M293-S295 PolarHBondContact O-N 3.34Å; M293-A296 HydrophobicContact CE-CB 3.84Å; M293-A296 PolarHBondContact O-N 3.17Å; M293-W297 WeakPolarHBondContact O-CB 3.42Å; M293-W297 PolarHBondContact O-N 2.9Å
294F92.3Very high92.2Very high0 Ų026.8 Ų26.80%012%0.118CC..Hα-helixtrans-63.8-43.9177.9-169-92.3000111.2T67 V91 I115 Y118 V119 F290 A296 W297 I298 T383 L385T67-F294 HydrophobicContact CG2-CD2 4.2Å; V91-F294 HydrophobicContact CG1-CD1 4.37Å; V91-F294 HydrophobicContact CG2-CB 4.24Å; V91-F294 HydrophobicContact CG2-CD1 3.61Å; V91-F294 HydrophobicContact CG2-CE1 4.34Å; V91-F294 HydrophobicContact CG2-CG 4.13Å; I115-F294 HydrophobicContact CG2-CE1 3.78Å; I115-F294 HydrophobicContact CG2-CE2 3.8Å; I115-F294 HydrophobicContact CG2-CZ 3.32Å; Y118-F294 AromaticContact CD1-CD1 3.99Å; Y118-F294 HydrophobicContact CD1-CD1 3.99Å; Y118-F294 AromaticContact CD1-CE1 3.85Å; Y118-F294 HydrophobicContact CD1-CE1 3.85Å; Y118-F294 HydrophobicContact CE1-CD1 4.35Å; Y118-F294 HydrophobicContact CE1-CE1 4.47Å; V119-F294 HydrophobicContact CG2-CE1 3.72Å; V119-F294 HydrophobicContact CG2-CZ 3.63Å; F290-F294 HydrophobicContact CE2-CB 4.26Å; F290-F294 HydrophobicContact CE2-CD2 4.39Å; F290-F294 HydrophobicContact CZ-CB 4.14Å; F290-F294 HydrophobicContact CZ-CD2 4.23Å; F290-F294 HydrophobicContact CZ-CG 4.25Å; F290-F294 VanDerWaalsContact O-CB 3.3Å; F290-F294 WeakPolarHBondContact O-CB 3.27Å; F290-F294 PolarHBondContact O-N 3.2Å; F294-A296 PolarHBondContact O-N 3.27Å; F294-W297 AromaticContact CD2-CE3 3.96Å; F294-W297 HydrophobicContact CD2-CE3 3.96Å; F294-W297 HydrophobicContact CD2-CZ3 4.31Å; F294-W297 AromaticContact CE2-CE3 3.91Å; F294-W297 HydrophobicContact CE2-CE3 3.91Å; F294-W297 AromaticContact CE2-CZ3 3.94Å; F294-W297 HydrophobicContact CE2-CZ3 3.94Å; F294-W297 WeakPolarHBondContact O-CB 3.44Å; F294-W297 PolarHBondContact O-N 2.91Å; F294-I298 HydrophobicContact CD1-CG1 4.15Å; F294-I298 HydrophobicContact CE1-CD1 4.08Å; F294-I298 HydrophobicContact CE1-CG1 3.72Å; F294-I298 HydrophobicContact CZ-CD1 3.95Å; F294-I298 HydrophobicContact CZ-CG1 4.1Å; F294-I298 WeakPolarHBondContact O-CG1 3.34Å; F294-I298 PolarHBondContact O-N 2.91Å; F294-T383 HydrophobicContact CZ-CG2 4.24Å; F294-L385 HydrophobicContact CD2-CD1 4.24Å; F294-L385 HydrophobicContact CE2-CD1 4.34Å
295S89.9Confident92.3Very high1 Ų118.2 Ų18.21%0.0079%0.085CC..Hα-helixtrans-56.8-50.6173.6175.60000111.3Y118 S291 M293 W297 I298 H299Y118-S295 WeakPolarHBondContact OH-CA 3.29Å; Y118-S295 WeakPolarHBondContact OH-CB 3.45Å; Y118-S295 PolarHBondContact OH-OG 3.46Å; S291-S295 WeakPolarHBondContact O-CB 3.35Å; S291-S295 PolarHBondContact O-N 3.39Å; M293-S295 PolarHBondContact O-N 3.34Å; S295-W297 VanDerWaalsContact C-N 3.28Å; S295-W297 PolarHBondContact O-N 3.47Å; S295-I298 PolarHBondContact O-N 2.64Å; S295-H299 PolarHBondContact O-N 2.82Å; S295-H299 PolarHBondContact O-ND1 2.89Å
296A90.5Very high92.2Very high7 Ų716.6 Ų16.66%0.0588%0.08CC..Hα-helixtrans-60.7-38.9178.800000111.8P130 E292 M293 F294 H299 V300P130-A296 HydrophobicContact CB-CB 4.24Å; E292-A296 VanDerWaalsContact O-CB 3.28Å; E292-A296 WeakPolarHBondContact O-CB 3.36Å; E292-A296 PolarHBondContact O-N 3.27Å; M293-A296 HydrophobicContact CE-CB 3.84Å; M293-A296 PolarHBondContact O-N 3.17Å; F294-A296 PolarHBondContact O-N 3.27Å; A296-H299 WeakPolarHBondContact O-CB 3.18Å; A296-H299 PolarHBondContact O-N 3.07Å; A296-V300 WeakPolarHBondContact O-CG2 3.48Å; A296-V300 PolarHBondContact O-N 2.94Å
297W92Very high92Very high0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-62-46.2177.4-17628.6000112.3D60 A63 E64 T67 M293 F294 S295 H299 V300 K301 L385D60-W297 PolarHBondContact O-NE1 3.03Å; D60-W297 VanDerWaalsContact OD1-CD1 3.27Å; D60-W297 PolarHBondContact OD1-NE1 3.26Å; A63-W297 HydrophobicContact CB-CB 4.16Å; A63-W297 HydrophobicContact CB-CG 4.2Å; E64-W297 HydrophobicContact CB-CD2 4.35Å; E64-W297 HydrophobicContact CB-CH2 4.18Å; E64-W297 HydrophobicContact CB-CZ2 3.49Å; E64-W297 VanDerWaalsContact CB-CZ2 3.49Å; E64-W297 HydrophobicContact CG-CH2 3.66Å; E64-W297 HydrophobicContact CG-CZ2 3.39Å; E64-W297 HydrophobicContact CG-CZ3 4.48Å; E64-W297 WeakPolarHBondContact OE2-CZ2 3.32Å; T67-W297 HydrophobicContact CG2-CE3 4.36Å; M293-W297 WeakPolarHBondContact O-CB 3.42Å; M293-W297 PolarHBondContact O-N 2.9Å; F294-W297 AromaticContact CD2-CE3 3.96Å; F294-W297 HydrophobicContact CD2-CE3 3.96Å; F294-W297 HydrophobicContact CD2-CZ3 4.31Å; F294-W297 AromaticContact CE2-CE3 3.91Å; F294-W297 HydrophobicContact CE2-CE3 3.91Å; F294-W297 AromaticContact CE2-CZ3 3.94Å; F294-W297 HydrophobicContact CE2-CZ3 3.94Å; F294-W297 WeakPolarHBondContact O-CB 3.44Å; F294-W297 PolarHBondContact O-N 2.91Å; S295-W297 VanDerWaalsContact C-N 3.28Å; S295-W297 PolarHBondContact O-N 3.47Å; W297-H299 VanDerWaalsContact C-N 3.31Å; W297-H299 PolarHBondContact O-N 2.87Å; W297-V300 PolarHBondContact O-N 3.28Å; W297-K301 VanDerWaalsContact CE2-CE 3.44Å; W297-K301 PolarHBondContact O-N 2.71Å; W297-L385 HydrophobicContact CZ3-CD2 4Å
298I92.3Very high92Very high0 Ų014.2 Ų14.20%07%0.07CC..Hα-helixtrans-64.9-34.8176.1-57.6-57.6000111.6F36 Y118 V119 F122 F294 S295 K301 A302 I381F36-I298 HydrophobicContact CE2-CG2 4.26Å; F36-I298 HydrophobicContact CZ-CG2 4.14Å; Y118-I298 HydrophobicContact CD1-CG1 4.32Å; Y118-I298 HydrophobicContact CE1-CB 4.1Å; Y118-I298 HydrophobicContact CE1-CG1 4Å; Y118-I298 HydrophobicContact CE1-CG2 4.41Å; V119-I298 HydrophobicContact CG2-CD1 3.99Å; V119-I298 HydrophobicContact CG2-CG1 4.41Å; F122-I298 HydrophobicContact CD2-CB 4.29Å; F122-I298 HydrophobicContact CD2-CG2 3.35Å; F122-I298 HydrophobicContact CE2-CB 4.31Å; F122-I298 HydrophobicContact CE2-CG2 3.64Å; F122-I298 HydrophobicContact CG-CG2 3.98Å; F122-I298 HydrophobicContact CZ-CG2 4.47Å; F294-I298 HydrophobicContact CD1-CG1 4.15Å; F294-I298 HydrophobicContact CE1-CD1 4.08Å; F294-I298 HydrophobicContact CE1-CG1 3.72Å; F294-I298 HydrophobicContact CZ-CD1 3.95Å; F294-I298 HydrophobicContact CZ-CG1 4.1Å; F294-I298 WeakPolarHBondContact O-CG1 3.34Å; F294-I298 PolarHBondContact O-N 2.91Å; S295-I298 PolarHBondContact O-N 2.64Å; I298-K301 PolarHBondContact O-N 2.99Å; I298-A302 PolarHBondContact O-N 3.32Å; I298-I381 HydrophobicContact CD1-CD1 4.2Å; I298-I381 HydrophobicContact CD1-CG2 4.04Å
299H90.3Very high92.1Very high4 Ų410.9 Ų10.92%0.0195%0.053CC..Hα-helixtrans-63.5-41.5173-77.570.8000112.3F122 W124 D125 S295 A296 W297 K301 A302 L303F122-H299 AromaticContact CE2-CE1 3.55Å; F122-H299 AromaticContact CE2-ND1 3.62Å; F122-H299 AromaticContact CZ-CE1 3.99Å; W124-H299 AromaticContact CE3-CD2 3.88Å; W124-H299 AromaticContact CZ3-CD2 3.98Å; D125-H299 PolarHBondContact N-NE2 2.92Å; D125-H299 PolarHBondContact O-NE2 3.28Å; S295-H299 PolarHBondContact O-N 2.82Å; S295-H299 PolarHBondContact O-ND1 2.89Å; A296-H299 WeakPolarHBondContact O-CB 3.18Å; A296-H299 PolarHBondContact O-N 3.07Å; W297-H299 VanDerWaalsContact C-N 3.31Å; W297-H299 PolarHBondContact O-N 2.87Å; H299-K301 VanDerWaalsContact C-N 3.29Å; H299-K301 PolarHBondContact O-N 3.37Å; H299-A302 WeakPolarHBondContact O-CB 3.46Å; H299-A302 PolarHBondContact O-N 3.32Å; H299-L303 WeakPolarHBondContact O-CG 3.36Å; H299-L303 PolarHBondContact O-N 3.19Å
300V91.9Very high92Very high1 Ų110.3 Ų10.31%0.0065%0.05CC..Hα-helixtrans-61-41.4174174.70000110.3L56 L59 D60 P130 A296 W297 A302 L303 R304L56-V300 HydrophobicContact CD2-CG1 4.37Å; L59-V300 HydrophobicContact CB-CG1 4.33Å; L59-V300 HydrophobicContact CD2-CG1 4.36Å; L59-V300 HydrophobicContact CD2-CG2 3.73Å; L59-V300 HydrophobicContact CG-CG1 4.18Å; L59-V300 HydrophobicContact CG-CG2 3.91Å; D60-V300 HydrophobicContact CB-CG1 3.84Å; P130-V300 HydrophobicContact CB-CG2 4.39Å; P130-V300 HydrophobicContact CG-CG2 4.33Å; A296-V300 WeakPolarHBondContact O-CG2 3.48Å; A296-V300 PolarHBondContact O-N 2.94Å; W297-V300 PolarHBondContact O-N 3.28Å; V300-A302 PolarHBondContact O-N 2.76Å; V300-L303 WeakPolarHBondContact O-CB 3.48Å; V300-L303 PolarHBondContact O-N 3.45Å; V300-R304 WeakPolarHBondContact O-CG 3.27Å; V300-R304 PolarHBondContact O-N 2.91Å
301K92.4Very high91.9Very high3 Ų312.9 Ų12.91%0.0136%0.063CC..Hα-helixtrans-63.6-39.1174.5-65.7-163.6-175.4-63.90112.9L7 D60 W297 I298 H299 R304 V305 K380 I381L7-K301 HydrophobicContact CD2-CB 4.22Å; D60-K301 VanDerWaalsContact CG-NZ 3.32Å; D60-K301 IonicContact OD1-NZ 3.06Å; D60-K301 PolarHBondContact OD1-NZ 3.28Å; D60-K301 IonicContact OD2-NZ 3.36Å; D60-K301 PolarHBondContact OD2-NZ 2.83Å; D60-K301 VanDerWaalsContact OD2-NZ 3.08Å; W297-K301 VanDerWaalsContact CE2-CE 3.44Å; W297-K301 PolarHBondContact O-N 2.71Å; I298-K301 PolarHBondContact O-N 2.99Å; H299-K301 VanDerWaalsContact C-N 3.29Å; H299-K301 PolarHBondContact O-N 3.37Å; K301-R304 PolarHBondContact O-N 3.21Å; K301-V305 WeakPolarHBondContact O-CG2 3.27Å; K301-V305 PolarHBondContact O-N 3.02Å; K301-K380 PolarHBondContact NZ-O 3.33Å; K301-I381 HydrophobicContact CD-CB 4.41Å; K301-I381 HydrophobicContact CD-CD1 3.65Å; K301-I381 HydrophobicContact CD-CG1 3.51Å; K301-I381 HydrophobicContact CD-CG2 4.43Å
302A92.6Very high91.9Very high0 Ų016 Ų160%08%0.075CC..Hα-helixtrans-61.3-44.8173.500000111.7F36 F122 W124 I298 H299 V300 R304 V305 F306F36-A302 HydrophobicContact CE1-CB 3.65Å; F36-A302 HydrophobicContact CZ-CB 4.01Å; F122-A302 HydrophobicContact CE1-CB 3.98Å; F122-A302 HydrophobicContact CZ-CB 4.04Å; W124-A302 HydrophobicContact CE3-CB 4.21Å; W124-A302 HydrophobicContact CZ3-CB 4Å; I298-A302 PolarHBondContact O-N 3.32Å; H299-A302 WeakPolarHBondContact O-CB 3.46Å; H299-A302 PolarHBondContact O-N 3.32Å; V300-A302 PolarHBondContact O-N 2.76Å; A302-R304 VanDerWaalsContact C-N 3.34Å; A302-R304 PolarHBondContact O-N 3.37Å; A302-V305 PolarHBondContact O-N 2.96Å; A302-F306 PolarHBondContact O-N 3.35Å
303L91.7Very high92Very high47 Ų4715.4 Ų15.425%0.2467%0.07CC..Hα-helixtrans-61.1-42.2174.9-74.3173.1000112.1L41 L56 W124 H299 V300 F306 V307L41-L303 HydrophobicContact CD1-CD2 3.6Å; L56-L303 HydrophobicContact CD1-CB 3.94Å; L56-L303 HydrophobicContact CD2-CB 3.89Å; L56-L303 HydrophobicContact CD2-CD1 4.03Å; W124-L303 HydrophobicContact CH2-CD1 4.27Å; W124-L303 HydrophobicContact CH2-CD2 3.59Å; W124-L303 HydrophobicContact CH2-CG 3.73Å; W124-L303 HydrophobicContact CZ3-CD2 4.2Å; W124-L303 HydrophobicContact CZ3-CG 4.08Å; H299-L303 WeakPolarHBondContact O-CG 3.36Å; H299-L303 PolarHBondContact O-N 3.19Å; V300-L303 WeakPolarHBondContact O-CB 3.48Å; V300-L303 PolarHBondContact O-N 3.45Å; L303-F306 WeakPolarHBondContact O-CB 3.39Å; L303-F306 PolarHBondContact O-N 3.34Å; L303-V307 WeakPolarHBondContact O-CG2 3.47Å; L303-V307 PolarHBondContact O-N 3.2Å
304R93.4Very high91.9Very high39 Ų3917 Ų1715%0.1479%0.086CC..Hα-helixtrans-59.6-49.3175.9-76.1-16965.4-172.90.5111.8L56 D60 V300 K301 A302 F306 V307 E308 L379L56-R304 HydrophobicContact CB-CG 3.61Å; L56-R304 HydrophobicContact CD1-CG 4.5Å; D60-R304 WeakPolarHBondContact OD2-CD 3.21Å; D60-R304 IonicContact OD2-CZ 3.56Å; D60-R304 IonicContact OD2-NE 2.9Å; D60-R304 IonicContact OD2-NH1 3.24Å; D60-R304 PolarHBondContact OD2-NH1 2.9Å; V300-R304 WeakPolarHBondContact O-CG 3.27Å; V300-R304 PolarHBondContact O-N 2.91Å; K301-R304 PolarHBondContact O-N 3.21Å; A302-R304 VanDerWaalsContact C-N 3.34Å; A302-R304 PolarHBondContact O-N 3.37Å; R304-F306 VanDerWaalsContact C-N 3.28Å; R304-F306 PolarHBondContact O-N 3.2Å; R304-V307 PolarHBondContact O-N 3.44Å; R304-E308 IonicContact CZ-OE1 3.37Å; R304-E308 IonicContact NE-OE1 3.58Å; R304-E308 PolarHBondContact NE-OE1 3.31Å; R304-E308 IonicContact NH2-OE1 3.74Å; R304-E308 PolarHBondContact NH2-OE1 2.98Å; R304-E308 VanDerWaalsContact O-CB 3.29Å; R304-E308 WeakPolarHBondContact O-CB 3.33Å; R304-E308 VanDerWaalsContact O-CG 3.3Å; R304-E308 WeakPolarHBondContact O-CG 3.34Å; R304-E308 PolarHBondContact O-N 3.2Å; R304-L379 HydrophobicContact CB-CD1 3.59Å
305V94.3Very high91.7Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-59.9-42177.1173.90000111.5L7 I38 K301 A302 S309 F319 A321 V377 L379L7-V305 HydrophobicContact CD2-CB 4.44Å; L7-V305 HydrophobicContact CD2-CG2 3.34Å; L7-V305 HydrophobicContact CG-CG2 3.61Å; I38-V305 HydrophobicContact CD1-CB 3.93Å; I38-V305 HydrophobicContact CD1-CG1 3.8Å; K301-V305 WeakPolarHBondContact O-CG2 3.27Å; K301-V305 PolarHBondContact O-N 3.02Å; A302-V305 PolarHBondContact O-N 2.96Å; V305-S309 WeakPolarHBondContact O-CB 3.42Å; V305-S309 PolarHBondContact O-N 3.36Å; V305-S309 PolarHBondContact O-OG 3.47Å; V305-F319 HydrophobicContact CG1-CE2 4.43Å; V305-A321 HydrophobicContact CG1-CB 3.98Å; V305-V377 HydrophobicContact CG1-CG1 4.42Å; V305-V377 HydrophobicContact CG2-CG1 4.38Å; V305-L379 HydrophobicContact CG2-CD1 3.57Å; V305-L379 HydrophobicContact CG2-CG 4.25Å
306F92.7Very high91.7Very high9 Ų928 Ų284%0.03915%0.151CC..Hα-helixtrans-59-55.5176.8-179.9-91.7000111.3I38 L41 V43 A302 L303 R304 E308 S309 V310 V317 F319I38-F306 HydrophobicContact CG2-CB 4.19Å; I38-F306 HydrophobicContact CG2-CD2 4.01Å; L41-F306 HydrophobicContact CB-CD1 4.31Å; L41-F306 HydrophobicContact CB-CD2 4.27Å; L41-F306 HydrophobicContact CB-CE1 3.89Å; L41-F306 HydrophobicContact CB-CE2 3.85Å; L41-F306 HydrophobicContact CB-CG 4.49Å; L41-F306 HydrophobicContact CB-CZ 3.65Å; L41-F306 HydrophobicContact CD1-CB 4.3Å; L41-F306 HydrophobicContact CD1-CD1 4.12Å; L41-F306 HydrophobicContact CD1-CD2 4.14Å; L41-F306 HydrophobicContact CD1-CG 3.92Å; L41-F306 HydrophobicContact CG-CD2 4.42Å; L41-F306 HydrophobicContact CG-CE2 4.42Å; L41-F306 WeakPolarHBondContact O-CZ 3.49Å; V43-F306 HydrophobicContact CG2-CE1 4.24Å; V43-F306 HydrophobicContact CG2-CZ 3.83Å; A302-F306 PolarHBondContact O-N 3.35Å; L303-F306 WeakPolarHBondContact O-CB 3.39Å; L303-F306 PolarHBondContact O-N 3.34Å; R304-F306 VanDerWaalsContact C-N 3.28Å; R304-F306 PolarHBondContact O-N 3.2Å; F306-E308 PolarHBondContact O-N 3.11Å; F306-S309 PolarHBondContact O-N 3.48Å; F306-V310 HydrophobicContact CD1-CG2 4.39Å; F306-V310 HydrophobicContact CE1-CG2 4.05Å; F306-V310 HydrophobicContact CE2-CG2 4.43Å; F306-V310 HydrophobicContact CZ-CG2 4.05Å; F306-V310 WeakPolarHBondContact O-CG2 3.49Å; F306-V310 PolarHBondContact O-N 3.2Å; F306-V317 HydrophobicContact CE2-CG1 3.98Å; F306-V317 HydrophobicContact CZ-CG2 4.49Å; F306-F319 HydrophobicContact CB-CZ 4.45Å; F306-F319 HydrophobicContact CD2-CE1 4.06Å; F306-F319 AromaticContact CD2-CZ 3.87Å; F306-F319 HydrophobicContact CD2-CZ 3.87Å; F306-F319 HydrophobicContact CE2-CE1 4.48Å
307V91.5Very high91.6Very high6 Ų630.2 Ų30.24%0.03616%0.163CC..Hα-helixtrans-61.8-47.7-178172.40000111.2L49 L56 L303 R304 S309 V310 L311L49-V307 HydrophobicContact CB-CG1 4.35Å; L49-V307 HydrophobicContact CD2-CG1 4.32Å; L49-V307 HydrophobicContact CD2-CG2 4.22Å; L49-V307 WeakPolarHBondContact O-CG1 3.4Å; L56-V307 HydrophobicContact CD1-CB 4.27Å; L56-V307 HydrophobicContact CD1-CG2 3.74Å; L303-V307 WeakPolarHBondContact O-CG2 3.47Å; L303-V307 PolarHBondContact O-N 3.2Å; R304-V307 PolarHBondContact O-N 3.44Å; V307-S309 VanDerWaalsContact C-N 3.31Å; V307-S309 PolarHBondContact O-N 3.26Å; V307-V310 PolarHBondContact O-N 3Å; V307-L311 HydrophobicContact CG1-CD1 3.84Å; V307-L311 HydrophobicContact CG1-CG 4.36Å; V307-L311 WeakPolarHBondContact O-CB 3.25Å; V307-L311 VanDerWaalsContact O-CG 3.3Å; V307-L311 WeakPolarHBondContact O-CG 3.33Å; V307-L311 PolarHBondContact O-N 3.31Å
308E92.8Very high91.7Very high26 Ų2633.2 Ų33.212%0.12118%0.179CC..Hα-helixtrans-63.9-36178.9-69.1-179-151.300111.8R304 F306 R312 V377R304-E308 IonicContact CZ-OE1 3.37Å; R304-E308 IonicContact NE-OE1 3.58Å; R304-E308 PolarHBondContact NE-OE1 3.31Å; R304-E308 IonicContact NH2-OE1 3.74Å; R304-E308 PolarHBondContact NH2-OE1 2.98Å; R304-E308 VanDerWaalsContact O-CB 3.29Å; R304-E308 WeakPolarHBondContact O-CB 3.33Å; R304-E308 VanDerWaalsContact O-CG 3.3Å; R304-E308 WeakPolarHBondContact O-CG 3.34Å; R304-E308 PolarHBondContact O-N 3.2Å; F306-E308 PolarHBondContact O-N 3.11Å; E308-R312 WeakPolarHBondContact O-CB 3.41Å; E308-R312 WeakPolarHBondContact O-CG 3.24Å; E308-R312 PolarHBondContact O-N 3.44Å; E308-V377 HydrophobicContact CB-CG1 3.96Å; E308-V377 HydrophobicContact CB-CG2 3.95Å
309S93.2Very high91.8Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-69-41176.2-59.60000111.8S9 V305 F306 V307 R312 Y313S9-S309 VanDerWaalsContact CB-OG 3.24Å; S9-S309 WeakPolarHBondContact CB-OG 3.27Å; S9-S309 PolarHBondContact OG-OG 3.05Å; V305-S309 WeakPolarHBondContact O-CB 3.42Å; V305-S309 PolarHBondContact O-N 3.36Å; V305-S309 PolarHBondContact O-OG 3.47Å; F306-S309 PolarHBondContact O-N 3.48Å; V307-S309 VanDerWaalsContact C-N 3.31Å; V307-S309 PolarHBondContact O-N 3.26Å; S309-R312 PolarHBondContact O-N 2.92Å; S309-Y313 VanDerWaalsContact O-CB 3.27Å; S309-Y313 WeakPolarHBondContact O-CB 3.48Å; S309-Y313 VanDerWaalsContact O-CD2 3.26Å; S309-Y313 WeakPolarHBondContact O-CD2 3.36Å; S309-Y313 PolarHBondContact O-N 2.82Å
310V91.8Very high92Very high7 Ų735.5 Ų35.54%0.04219%0.19CC..Hα-helixtrans-66.7-40.8176.2177.20000110.9V43 L49 F306 V307 R312 G314 L315 V317V43-V310 HydrophobicContact CG1-CG1 4Å; L49-V310 HydrophobicContact CD1-CB 4.3Å; L49-V310 HydrophobicContact CD1-CG1 3.57Å; F306-V310 HydrophobicContact CD1-CG2 4.39Å; F306-V310 HydrophobicContact CE1-CG2 4.05Å; F306-V310 HydrophobicContact CE2-CG2 4.43Å; F306-V310 HydrophobicContact CZ-CG2 4.05Å; F306-V310 WeakPolarHBondContact O-CG2 3.49Å; F306-V310 PolarHBondContact O-N 3.2Å; V307-V310 PolarHBondContact O-N 3Å; V310-R312 VanDerWaalsContact C-N 3.35Å; V310-R312 PolarHBondContact O-N 2.89Å; V310-G314 VanDerWaalsContact O-CA 3.26Å; V310-G314 WeakPolarHBondContact O-CA 3.39Å; V310-G314 PolarHBondContact O-N 3.38Å; V310-L315 HydrophobicContact CG1-CD2 4.17Å; V310-V317 HydrophobicContact CG2-CG1 4.1Å; V310-V317 HydrophobicContact CG2-CG2 3.87Å
311L91.4Very high92.2Very high54 Ų5435.6 Ų35.628%0.28319%0.191SC..Hα-helixtrans-65.5-35.6177.1-73173.8000112.7L46 L49 V50 V307L46-L311 HydrophobicContact CD1-CD2 3.64Å; L49-L311 HydrophobicContact CB-CD2 3.71Å; L49-L311 HydrophobicContact CB-CG 4.12Å; L49-L311 HydrophobicContact CD1-CD2 4.41Å; V50-L311 HydrophobicContact CG2-CD2 3.96Å; V307-L311 HydrophobicContact CG1-CD1 3.84Å; V307-L311 HydrophobicContact CG1-CG 4.36Å; V307-L311 WeakPolarHBondContact O-CB 3.25Å; V307-L311 VanDerWaalsContact O-CG 3.3Å; V307-L311 WeakPolarHBondContact O-CG 3.33Å; V307-L311 PolarHBondContact O-N 3.31Å
312R91Very high92.4Very high68 Ų6835.4 Ų35.426%0.25719%0.19SC..Hα-helixtrans-85.9-40-179.6-72.7-173.4-177.9-137.55.1114.1E308 S309 V310 Y374 Y376E308-R312 WeakPolarHBondContact O-CB 3.41Å; E308-R312 WeakPolarHBondContact O-CG 3.24Å; E308-R312 PolarHBondContact O-N 3.44Å; S309-R312 PolarHBondContact O-N 2.92Å; V310-R312 VanDerWaalsContact C-N 3.35Å; V310-R312 PolarHBondContact O-N 2.89Å; R312-Y374 PolarHBondContact NH1-O 3.42Å; R312-Y376 PolarHBondContact NH1-O 3.41Å
313Y91.7Very high92.5Very high51 Ų5135.5 Ų35.520%0.219%0.19CC..Hα-helixtrans-103.7-10.5-171-48.1-38.8000113.2S9 P11 S309 F319 L346 V377S9-Y313 PolarHBondContact O-OH 3.05Å; P11-Y313 HydrophobicContact CB-CD1 4.17Å; P11-Y313 HydrophobicContact CB-CD2 4.29Å; P11-Y313 HydrophobicContact CB-CG 3.99Å; P11-Y313 HydrophobicContact CG-CD1 4.16Å; P11-Y313 HydrophobicContact CG-CE1 4.3Å; P11-Y313 HydrophobicContact CG-CG 4.46Å; S309-Y313 VanDerWaalsContact O-CB 3.27Å; S309-Y313 WeakPolarHBondContact O-CB 3.48Å; S309-Y313 VanDerWaalsContact O-CD2 3.26Å; S309-Y313 WeakPolarHBondContact O-CD2 3.36Å; S309-Y313 PolarHBondContact O-N 2.82Å; Y313-F319 HydrophobicContact CD2-CB 3.88Å; Y313-F319 HydrophobicContact CE2-CB 4.22Å; Y313-L346 HydrophobicContact CE1-CD1 4.15Å; Y313-V377 HydrophobicContact CE2-CG2 4.23Å; Y313-V377 PolarHBondContact OH-N 3.38Å; Y313-V377 VanDerWaalsContact OH-N 3.15Å
314G89.8Confident92.7Very high33 Ų3333.2 Ų33.234%0.3418%0.178SC..  trans74.7-160.6177.500000113.8V310V310-G314 VanDerWaalsContact O-CA 3.26Å; V310-G314 WeakPolarHBondContact O-CA 3.39Å; V310-G314 PolarHBondContact O-N 3.38Å
315L87.7Confident92.7Very high121 Ų12133 Ų3363%0.63418%0.179SC*.SBendtrans-111.6149.1179-67.2177.4000110.7V43 V310 V317V43-L315 HydrophobicContact CG1-CD2 4.33Å; V43-L315 HydrophobicContact CG2-CD2 4.25Å; V310-L315 HydrophobicContact CG1-CD2 4.17Å; L315-V317 HydrophobicContact CD2-CG2 3.54Å
316P90Very high92.6Very high112 Ų11233.1 Ų33.173%0.72718%0.18SC*.SBendcis-67.2153.8-1.230.2-36.3000112.6N318P316-N318 PolarHBondContact O-N 2.83Å
317V89.8Confident92.5Very high53 Ų5336.3 Ų36.332%0.32120%0.197SC..  trans-63104.4178.8-173.80000109V43 F306 V310 L315 F319V43-V317 HydrophobicContact CG2-CG2 3.64Å; F306-V317 HydrophobicContact CE2-CG1 3.98Å; F306-V317 HydrophobicContact CZ-CG2 4.49Å; V310-V317 HydrophobicContact CG2-CG1 4.1Å; V310-V317 HydrophobicContact CG2-CG2 3.87Å; L315-V317 HydrophobicContact CD2-CG2 3.54Å; V317-F319 HydrophobicContact CG1-CD1 3.69Å; V317-F319 HydrophobicContact CG1-CE1 3.39Å; V317-F319 HydrophobicContact CG1-CZ 4.46Å
318N92.2Very high92.3Very high63 Ų6343 Ų4334%0.33723%0.225SC..  trans-143.785.5-175.7178.525.5000109.9G12 C16 P316G12-N318 PolarHBondContact N-O 3.18Å; G12-N318 PolarHBondContact O-ND2 2.97Å; C16-N318 PolarHBondContact SG-OD1 3.42Å; P316-N318 PolarHBondContact O-N 2.83Å
319F94.6Very high91.9Very high27 Ų2751.7 Ų51.712%0.11826%0.257CS..EExtended strand (participates in β ladder)trans-142158.6178.567.5-101.2000110.9S9 A10 C16 I38 V305 F306 Y313 V317 A321S9-F319 WeakPolarHBondContact OG-CD2 3.45Å; A10-F319 CarbonylContact O-C 3.59Å; A10-F319 WeakPolarHBondContact O-CA 3.49Å; A10-F319 WeakPolarHBondContact O-CB 3.45Å; C16-F319 PolarHBondContact SG-O 3.41Å; I38-F319 HydrophobicContact CD1-CE2 4.12Å; I38-F319 HydrophobicContact CD1-CZ 4.39Å; V305-F319 HydrophobicContact CG1-CE2 4.43Å; F306-F319 HydrophobicContact CB-CZ 4.45Å; F306-F319 HydrophobicContact CD2-CE1 4.06Å; F306-F319 AromaticContact CD2-CZ 3.87Å; F306-F319 HydrophobicContact CD2-CZ 3.87Å; F306-F319 HydrophobicContact CE2-CE1 4.48Å; Y313-F319 HydrophobicContact CD2-CB 3.88Å; Y313-F319 HydrophobicContact CE2-CB 4.22Å; V317-F319 HydrophobicContact CG1-CD1 3.69Å; V317-F319 HydrophobicContact CG1-CE1 3.39Å; V317-F319 HydrophobicContact CG1-CZ 4.46Å; F319-A321 HydrophobicContact CD2-CB 4.47Å; F319-A321 HydrophobicContact CE2-CB 4.24Å
320Q95.4Very high91.7Very high26 Ų2656.1 Ų56.112%0.12129%0.294CS..EExtended strand (participates in β ladder)trans-116.7110.2173.5179.461.172.900109.5A10 C16 T19 W20A10-Q320 PolarHBondContact N-O 3.45Å; A10-Q320 PolarHBondContact O-N 3.19Å; C16-Q320 HydrophobicContact CB-CB 4.01Å; C16-Q320 PolarHBondContact O-OE1 2.88Å; T19-Q320 HydrophobicContact CG2-CB 4.22Å; W20-Q320 HydrophobicContact CB-CG 3.99Å
321A96Very high91.6Very high2 Ų257.5 Ų57.52%0.01730%0.302CS..EExtended strand (participates in β ladder)trans-81.6140.8170.700000111.1I8 F36 I38 V305 F319I8-A321 CarbonylContact O-C 3.55Å; I8-A321 VanDerWaalsContact O-CA 3.27Å; I8-A321 WeakPolarHBondContact O-CA 3.16Å; F36-A321 HydrophobicContact CB-CB 4.16Å; F36-A321 HydrophobicContact CD1-CB 4.39Å; F36-A321 PolarHBondContact N-O 3.2Å; F36-A321 VanDerWaalsContact N-O 3.08Å; I38-A321 HydrophobicContact CD1-CB 4.03Å; I38-A321 HydrophobicContact CG1-CB 4.48Å; V305-A321 HydrophobicContact CG1-CB 3.98Å; F319-A321 HydrophobicContact CD2-CB 4.47Å; F319-A321 HydrophobicContact CE2-CB 4.24Å
322A96.1Very high91.6Very high0 Ų055.8 Ų55.80%029%0.294CS..EExtended strand (participates in β ladder)trans-140.3140.6-17900000110.6I8 W20 L23 H34 L324I8-A322 HydrophobicContact CG1-CB 4.13Å; I8-A322 PolarHBondContact N-O 3.42Å; I8-A322 PolarHBondContact O-N 2.73Å; W20-A322 HydrophobicContact CE3-CB 4.23Å; W20-A322 HydrophobicContact CZ3-CB 3.86Å; L23-A322 HydrophobicContact CD2-CB 3.41Å; L23-A322 VanDerWaalsContact CD2-CB 3.41Å; H34-A322 CarbonylContact O-C 3.53Å; H34-A322 WeakPolarHBondContact O-CA 3.44Å; A322-L324 HydrophobicContact CB-CD1 3.85Å
323L95.8Very high91.6Very high1 Ų159.9 Ų59.91%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-102115.1171.9-171.984.2000108.6Y5 W6 L7 N33 H34 F36 V119 T120 I381Y5-L323 HydrophobicContact CD1-CD2 3.72Å; Y5-L323 HydrophobicContact CD1-CG 4.09Å; Y5-L323 HydrophobicContact CE1-CD2 4.36Å; Y5-L323 HydrophobicContact CG-CD1 4.49Å; Y5-L323 HydrophobicContact CG-CD2 4.36Å; W6-L323 CarbonylContact O-C 3.59Å; W6-L323 WeakPolarHBondContact O-CA 3.43Å; L7-L323 HydrophobicContact CB-CD1 4.18Å; L7-L323 HydrophobicContact CD1-CD1 4.29Å; N33-L323 CarbonylContact C-O 3.52Å; N33-L323 WeakPolarHBondContact CA-O 3.19Å; H34-L323 HydrophobicContact CB-CB 4.36Å; H34-L323 PolarHBondContact N-O 3.19Å; H34-L323 PolarHBondContact O-N 2.79Å; F36-L323 HydrophobicContact CD2-CB 4.46Å; V119-L323 HydrophobicContact CB-CD2 4.46Å; V119-L323 HydrophobicContact CG1-CD1 3.93Å; V119-L323 HydrophobicContact CG1-CD2 3.63Å; V119-L323 HydrophobicContact CG1-CG 4.42Å; T120-L323 HydrophobicContact CG2-CD2 4.02Å; L323-I381 HydrophobicContact CD1-CD1 4.02Å
324L95.1Very high91.7Very high0 Ų065.2 Ų65.20%033%0.333CS..EExtended strand (participates in β ladder)trans-103.5130.9176.9-71.167.9000108.8Y5 W6 I8 L23 N33 A322 L335 L339Y5-L324 CarbonylContact C-O 3.58Å; Y5-L324 WeakPolarHBondContact CA-O 3.45Å; W6-L324 HydrophobicContact CB-CB 4.32Å; W6-L324 PolarHBondContact N-O 3.2Å; W6-L324 PolarHBondContact O-N 3.08Å; I8-L324 HydrophobicContact CD1-CD1 3.57Å; I8-L324 HydrophobicContact CD1-CD2 4.15Å; I8-L324 HydrophobicContact CG1-CD1 3.65Å; L23-L324 HydrophobicContact CD1-CD2 4.39Å; L23-L324 HydrophobicContact CD2-CD1 4.19Å; N33-L324 WeakPolarHBondContact OD1-CG 3.3Å; A322-L324 HydrophobicContact CB-CD1 3.85Å; L324-L335 HydrophobicContact CD2-CD1 4.4Å; L324-L339 HydrophobicContact CD2-CD1 4.08Å; L324-L339 HydrophobicContact CD2-CD2 4.27Å
325Q93.3Very high92Very high35 Ų3563.6 Ų63.616%0.16432%0.317CS..EExtended strand (participates in β ladder)trans-107.9106.1169.2-172.8178.916.500108.5N2 Y5 S31 V32 N327N2-Q325 PolarHBondContact O-NE2 3.42Å; Y5-Q325 HydrophobicContact CD1-CB 3.81Å; Y5-Q325 HydrophobicContact CD1-CG 4.02Å; Y5-Q325 HydrophobicContact CE1-CB 3.89Å; Y5-Q325 HydrophobicContact CE1-CG 3.81Å; Y5-Q325 PolarHBondContact OH-NE2 3.15Å; S31-Q325 CarbonylContact C-O 3.59Å; S31-Q325 WeakPolarHBondContact CA-O 3.33Å; S31-Q325 VanDerWaalsContact CB-O 3.26Å; S31-Q325 WeakPolarHBondContact CB-O 3.46Å; V32-Q325 HydrophobicContact CB-CB 4.42Å; V32-Q325 PolarHBondContact N-O 2.99Å; V32-Q325 PolarHBondContact O-N 2.79Å; Q325-N327 PolarHBondContact O-N 3.39Å
326P93Very high92.3Very high1 Ų159.5 Ų59.51%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-59.2129.3176.9-22.533000111.1N2 E4 W6 K328 L335N2-P326 PolarHBondContact ND2-O 3.23Å; E4-P326 WeakPolarHBondContact O-CD 3.08Å; W6-P326 HydrophobicContact CD2-CG 3.88Å; W6-P326 HydrophobicContact CE3-CG 4.18Å; W6-P326 HydrophobicContact CG-CG 4.49Å; W6-P326 HydrophobicContact CH2-CG 4.24Å; W6-P326 HydrophobicContact CZ2-CG 4.01Å; W6-P326 HydrophobicContact CZ3-CG 4.34Å; P326-K328 PolarHBondContact O-N 3.13Å; P326-L335 HydrophobicContact CB-CD2 4.24Å; P326-L335 HydrophobicContact CG-CD2 4.1Å
327N90.3Very high92.5Very high76 Ų7658.4 Ų58.441%0.40628%0.282SS..SBendtrans-57.8-38.9-175.4-73.3-20.6000112.2D29 L30 Q325D29-N327 PolarHBondContact O-ND2 2.8Å; D29-N327 VanDerWaalsContact O-ND2 3.14Å; L30-N327 VanDerWaalsContact C-ND2 3.32Å; L30-N327 WeakPolarHBondContact O-CB 3.24Å; L30-N327 PolarHBondContact O-N 3.4Å; L30-N327 PolarHBondContact O-ND2 2.9Å; Q325-N327 PolarHBondContact O-N 3.39Å
328K86.9Confident92.7Very high146 Ų14657.9 Ų57.964%0.63528%0.277SS*.  trans-147.2150.2178.9-61.5-178.8-177175.30110.1P326 A330 V331 T332P326-K328 PolarHBondContact O-N 3.13Å; K328-A330 PolarHBondContact O-N 2.79Å; K328-A330 VanDerWaalsContact O-N 3.11Å; K328-V331 VanDerWaalsContact O-CG2 3.24Å; K328-V331 WeakPolarHBondContact O-CG2 3.3Å; K328-V331 PolarHBondContact O-N 2.87Å; K328-V331 VanDerWaalsContact O-N 3.09Å; K328-T332 PolarHBondContact O-OG1 2.82Å
329R84.7Confident92.9Very high210 Ų21054.9 Ų54.979%0.79226%0.261SS*.THydrogen-bonded Turntrans-57.9-25.8173.9-170175.2178.91801114.1T332R329-T332 VanDerWaalsContact C-OG1 3.24Å; R329-T332 WeakPolarHBondContact CA-OG1 3.29Å; R329-T332 WeakPolarHBondContact O-CB 3.4Å; R329-T332 PolarHBondContact O-OG1 3.03Å
330A87.9Confident92.8Very high92 Ų9256 Ų5676%0.7627%0.268SS*.THydrogen-bonded Turntrans-73.6-26.617900000113.4K328K328-A330 PolarHBondContact O-N 2.79Å; K328-A330 VanDerWaalsContact O-N 3.11Å
331V90.6Very high92.7Very high37 Ų3762 Ų6222%0.22430%0.297CS..THydrogen-bonded Turntrans-89.9-7.7-177.2-53.70000113L30 K328 K333 R334 L335L30-V331 HydrophobicContact CB-CG2 4.43Å; L30-V331 HydrophobicContact CD2-CB 4.19Å; L30-V331 HydrophobicContact CD2-CG1 4.46Å; L30-V331 WeakPolarHBondContact O-CG2 3.42Å; K328-V331 VanDerWaalsContact O-CG2 3.24Å; K328-V331 WeakPolarHBondContact O-CG2 3.3Å; K328-V331 PolarHBondContact O-N 2.87Å; K328-V331 VanDerWaalsContact O-N 3.09Å; V331-K333 VanDerWaalsContact C-N 3.31Å; V331-K333 PolarHBondContact O-N 2.63Å; V331-R334 PolarHBondContact O-N 2.9Å; V331-R334 VanDerWaalsContact O-N 3.12Å; V331-L335 PolarHBondContact O-N 3.37Å
332T91.3Very high92.6Very high18 Ų1862.6 Ų62.611%0.1130%0.299CS..Hα-helixtrans-54.1-42.4-176.8-49.30000112.9W6 K328 R329 L335 K336W6-T332 HydrophobicContact CH2-CG2 3.33Å; W6-T332 WeakPolarHBondContact CH2-O 3.13Å; W6-T332 HydrophobicContact CZ2-CG2 3.07Å; K328-T332 PolarHBondContact O-OG1 2.82Å; R329-T332 VanDerWaalsContact C-OG1 3.24Å; R329-T332 WeakPolarHBondContact CA-OG1 3.29Å; R329-T332 WeakPolarHBondContact O-CB 3.4Å; R329-T332 PolarHBondContact O-OG1 3.03Å; T332-L335 PolarHBondContact O-N 3.27Å; T332-K336 WeakPolarHBondContact O-CG 3.14Å; T332-K336 PolarHBondContact O-N 2.9Å; T332-K336 VanDerWaalsContact O-N 3.09Å
333K92.1Very high92.5Very high154 Ų15462.9 Ų62.967%0.6730%0.3SS*.Hα-helixtrans-63.7-50.5176.3-175-179177.4-177.50111.5V331 L335 K336 D337V331-K333 VanDerWaalsContact C-N 3.31Å; V331-K333 PolarHBondContact O-N 2.63Å; K333-L335 VanDerWaalsContact C-N 3.27Å; K333-L335 PolarHBondContact O-N 3.25Å; K333-K336 WeakPolarHBondContact O-CB 3.48Å; K333-K336 PolarHBondContact O-N 3.37Å; K333-K336 VanDerWaalsContact O-N 3.12Å; K333-D337 VanDerWaalsContact O-CG 3.29Å; K333-D337 PolarHBondContact O-N 3.39Å
334R94Very high92.3Very high162 Ų16265.1 Ų65.161%0.61132%0.319SS*.Hα-helixtrans-59.5-38.9179-174.9178.9174.3175.2-4.8111.9L30 V331 D337 L338L30-R334 HydrophobicContact CD1-CB 4.35Å; L30-R334 HydrophobicContact CD1-CG 3.87Å; V331-R334 PolarHBondContact O-N 2.9Å; V331-R334 VanDerWaalsContact O-N 3.12Å; R334-D337 PolarHBondContact O-N 3.09Å; R334-L338 WeakPolarHBondContact O-CB 3.39Å; R334-L338 PolarHBondContact O-N 3.36Å
335L95.2Very high92.1Very high0 Ų069.4 Ų69.40%034%0.336CS..Hα-helixtrans-64.8-42.1176.4-179.158.6000111.8W6 T27 L30 L324 P326 V331 T332 K333 L338 L339W6-L335 HydrophobicContact CE3-CD2 3.82Å; W6-L335 HydrophobicContact CE3-CG 4.3Å; W6-L335 HydrophobicContact CH2-CB 4.47Å; W6-L335 HydrophobicContact CH2-CD2 4.21Å; W6-L335 HydrophobicContact CH2-CG 4.46Å; W6-L335 HydrophobicContact CZ3-CB 4.07Å; W6-L335 HydrophobicContact CZ3-CD2 3.43Å; W6-L335 VanDerWaalsContact CZ3-CD2 3.43Å; W6-L335 HydrophobicContact CZ3-CG 3.62Å; T27-L335 HydrophobicContact CG2-CD1 3.6Å; L30-L335 HydrophobicContact CB-CB 4.3Å; L30-L335 HydrophobicContact CB-CD1 4.07Å; L30-L335 HydrophobicContact CD1-CB 4.24Å; L30-L335 HydrophobicContact CD1-CD1 4.42Å; L324-L335 HydrophobicContact CD2-CD1 4.4Å; P326-L335 HydrophobicContact CB-CD2 4.24Å; P326-L335 HydrophobicContact CG-CD2 4.1Å; V331-L335 PolarHBondContact O-N 3.37Å; T332-L335 PolarHBondContact O-N 3.27Å; K333-L335 VanDerWaalsContact C-N 3.27Å; K333-L335 PolarHBondContact O-N 3.25Å; L335-L338 PolarHBondContact O-N 3.26Å; L335-L339 HydrophobicContact CD1-CD1 4.35Å; L335-L339 HydrophobicContact CD1-CG 4.37Å; L335-L339 HydrophobicContact CG-CD1 4.21Å; L335-L339 WeakPolarHBondContact O-CG 3.4Å; L335-L339 PolarHBondContact O-N 3.33Å
336K94Very high91.8Very high35 Ų3569 Ų6915%0.15234%0.335CS..Hα-helixtrans-61.5-46.5173.5-74.1173.5173.6-166.30111.9W6 T332 K333 L338 L339 N340 E372 Y374W6-K336 HydrophobicContact CH2-CD 4.2Å; W6-K336 HydrophobicContact CH2-CG 3.61Å; W6-K336 HydrophobicContact CZ2-CG 4.45Å; W6-K336 HydrophobicContact CZ3-CG 3.95Å; T332-K336 WeakPolarHBondContact O-CG 3.14Å; T332-K336 PolarHBondContact O-N 2.9Å; T332-K336 VanDerWaalsContact O-N 3.09Å; K333-K336 WeakPolarHBondContact O-CB 3.48Å; K333-K336 PolarHBondContact O-N 3.37Å; K333-K336 VanDerWaalsContact O-N 3.12Å; K336-L338 VanDerWaalsContact C-N 3.26Å; K336-L338 PolarHBondContact O-N 3.23Å; K336-L339 PolarHBondContact O-N 3.28Å; K336-N340 WeakPolarHBondContact O-CB 3.47Å; K336-N340 PolarHBondContact O-N 2.85Å; K336-E372 IonicContact NZ-OE1 2.73Å; K336-E372 PolarHBondContact NZ-OE1 3.36Å; K336-E372 IonicContact NZ-OE2 3.79Å; K336-E372 PolarHBondContact NZ-OE2 2.82Å; K336-Y374 HydrophobicContact CB-CE1 4.41Å; K336-Y374 HydrophobicContact CD-CE1 4.25Å; K336-Y374 VanDerWaalsContact CD-OH 3.31Å; K336-Y374 WeakPolarHBondContact CD-OH 3.19Å; K336-Y374 WeakPolarHBondContact CE-OH 3.46Å; K336-Y374 HydrophobicContact CG-CE1 4.14Å; K336-Y374 PolarHBondContact NZ-OH 2.88Å
337D93.6Very high91.2Very high88 Ų8871.7 Ų71.747%0.47135%0.349SS..Hα-helixtrans-58.4-41.9178.8-63-24.4000110.9K333 R334 N340 Q341K333-D337 VanDerWaalsContact O-CG 3.29Å; K333-D337 PolarHBondContact O-N 3.39Å; R334-D337 PolarHBondContact O-N 3.09Å; D337-N340 PolarHBondContact O-N 2.94Å; D337-Q341 WeakPolarHBondContact O-CB 3.34Å; D337-Q341 PolarHBondContact O-N 2.76Å
338L95.3Very high89.8Confident42 Ų4273.4 Ų73.422%0.2236%0.362CS..Hα-helixtrans-68.3-42.6179.1-163.574000112.8T26 T27 L30 R334 L335 K336 Q341 L342T26-L338 HydrophobicContact CG2-CD1 4.08Å; T26-L338 HydrophobicContact CG2-CD2 3.52Å; T26-L338 HydrophobicContact CG2-CG 3.54Å; T26-L338 WeakPolarHBondContact O-CD2 3.3Å; T27-L338 HydrophobicContact CG2-CD2 4.22Å; L30-L338 HydrophobicContact CD1-CD2 4.15Å; R334-L338 WeakPolarHBondContact O-CB 3.39Å; R334-L338 PolarHBondContact O-N 3.36Å; L335-L338 PolarHBondContact O-N 3.26Å; K336-L338 VanDerWaalsContact C-N 3.26Å; K336-L338 PolarHBondContact O-N 3.23Å; L338-Q341 PolarHBondContact O-N 2.96Å; L338-L342 WeakPolarHBondContact O-CB 3.29Å; L338-L342 PolarHBondContact O-N 3.44Å
339L95.3Very high88.2Confident0 Ų069.1 Ų69.10%036%0.36CS..Hα-helixtrans-64.9-41.2174.9-72.4169.2000111.6W6 I8 L23 T27 L324 L335 K336 L342 Y343 Y376W6-L339 HydrophobicContact CE3-CD1 4.36Å; W6-L339 HydrophobicContact CZ3-CD1 4.35Å; I8-L339 HydrophobicContact CD1-CD2 3.9Å; L23-L339 HydrophobicContact CD1-CD2 3.55Å; T27-L339 HydrophobicContact CG2-CD2 3.88Å; T27-L339 HydrophobicContact CG2-CG 4.34Å; L324-L339 HydrophobicContact CD2-CD1 4.08Å; L324-L339 HydrophobicContact CD2-CD2 4.27Å; L335-L339 HydrophobicContact CD1-CD1 4.35Å; L335-L339 HydrophobicContact CD1-CG 4.37Å; L335-L339 HydrophobicContact CG-CD1 4.21Å; L335-L339 WeakPolarHBondContact O-CG 3.4Å; L335-L339 PolarHBondContact O-N 3.33Å; K336-L339 PolarHBondContact O-N 3.28Å; L339-L342 PolarHBondContact O-N 2.99Å; L339-Y343 HydrophobicContact CD2-CE2 4.06Å; L339-Y343 WeakPolarHBondContact O-CD2 3.16Å; L339-Y343 PolarHBondContact O-N 3.43Å; L339-Y376 HydrophobicContact CB-CE1 3.67Å; L339-Y376 VanDerWaalsContact CB-OH 3.27Å; L339-Y376 WeakPolarHBondContact CB-OH 3.49Å; L339-Y376 HydrophobicContact CD1-CE2 4.43Å; L339-Y376 WeakPolarHBondContact CD1-OH 3.47Å
340N93.1Very high86.4Confident51 Ų5164 Ų6427%0.27335%0.348SS..Hα-helixtrans-60.8-45.4174.2-81.1-22.5000111.1K336 D337 L342 Y343 A344 Y374 P375K336-N340 WeakPolarHBondContact O-CB 3.47Å; K336-N340 PolarHBondContact O-N 2.85Å; D337-N340 PolarHBondContact O-N 2.94Å; N340-L342 VanDerWaalsContact C-N 3.32Å; N340-L342 PolarHBondContact O-N 3.48Å; N340-Y343 PolarHBondContact O-N 3.39Å; N340-A344 WeakPolarHBondContact O-CA 3.42Å; N340-A344 VanDerWaalsContact O-CB 3.25Å; N340-A344 WeakPolarHBondContact O-CB 3.4Å; N340-A344 PolarHBondContact O-N 3.19Å; N340-Y374 WeakPolarHBondContact OD1-CD1 3.43Å; N340-P375 VanDerWaalsContact OD1-CD 3.24Å; N340-P375 WeakPolarHBondContact OD1-CD 3.44Å
341Q93.1Very high84.1Confident153 Ų15365 Ų6572%0.71534%0.338SS*.Hα-helixtrans-61.9-41.7175.5-173.3179.112.200111.9D337 L338 Y343D337-Q341 WeakPolarHBondContact O-CB 3.34Å; D337-Q341 PolarHBondContact O-N 2.76Å; L338-Q341 PolarHBondContact O-N 2.96Å; Q341-Y343 VanDerWaalsContact C-N 3.31Å; Q341-Y343 PolarHBondContact O-N 3.04Å
342L93.8Very high81.5Confident14 Ų1465.4 Ų65.47%0.07335%0.35CS..Hα-helixtrans-63.2-37.6-178.7-177.260.8000112.4R22 L23 T26 L338 L339 N340 Y345R22-L342 HydrophobicContact CG-CD1 3.97Å; R22-L342 VanDerWaalsContact NE-CD1 3.34Å; L23-L342 HydrophobicContact CD1-CD2 4.39Å; T26-L342 HydrophobicContact CG2-CD2 4.27Å; L338-L342 WeakPolarHBondContact O-CB 3.29Å; L338-L342 PolarHBondContact O-N 3.44Å; L339-L342 PolarHBondContact O-N 2.99Å; N340-L342 VanDerWaalsContact C-N 3.32Å; N340-L342 PolarHBondContact O-N 3.48Å; L342-Y345 WeakPolarHBondContact O-CE1 3.29Å
343Y94.2Very high78.5Confident5 Ų572.1 Ų72.12%0.0239%0.391CS..Hα-helixtrans-1149.2-172.3-62.5-57000114.6A10 L23 L339 N340 Q341 Y345 L346 P375 Y376A10-Y343 HydrophobicContact CB-CD1 3.99Å; A10-Y343 HydrophobicContact CB-CE1 3.36Å; A10-Y343 HydrophobicContact CB-CE2 4.17Å; A10-Y343 VanDerWaalsContact CB-CZ 3.46Å; L23-Y343 HydrophobicContact CD1-CE2 4.42Å; L339-Y343 HydrophobicContact CD2-CE2 4.06Å; L339-Y343 WeakPolarHBondContact O-CD2 3.16Å; L339-Y343 PolarHBondContact O-N 3.43Å; N340-Y343 PolarHBondContact O-N 3.39Å; Q341-Y343 VanDerWaalsContact C-N 3.31Å; Q341-Y343 PolarHBondContact O-N 3.04Å; Y343-Y345 HydrophobicContact CD1-CE1 4.1Å; Y343-Y345 PolarHBondContact O-N 3.17Å; Y343-L346 HydrophobicContact CD1-CD1 4.24Å; Y343-L346 HydrophobicContact CG-CD1 4.37Å; Y343-L346 WeakPolarHBondContact O-CB 3.23Å; Y343-L346 WeakPolarHBondContact O-CG 3.44Å; Y343-L346 PolarHBondContact O-N 2.82Å; Y343-P375 VanDerWaalsContact O-CB 3.29Å; Y343-P375 WeakPolarHBondContact O-CB 3.49Å; Y343-Y376 AromaticContact CD2-CD1 3.57Å; Y343-Y376 HydrophobicContact CD2-CD1 3.57Å; Y343-Y376 HydrophobicContact CD2-CE1 4.19Å; Y343-Y376 AromaticContact CD2-CG 3.88Å; Y343-Y376 HydrophobicContact CD2-CG 3.88Å; Y343-Y376 HydrophobicContact CG-CD1 4.08Å; Y343-Y376 HydrophobicContact CG-CG 4.44Å
344A91.5Very high75.4Confident49 Ų4967.3 Ų67.341%0.40539%0.385SS..THydrogen-bonded Turntrans-54.3-29.6-178.500000113.7N340 L346 D347N340-A344 WeakPolarHBondContact O-CA 3.42Å; N340-A344 VanDerWaalsContact O-CB 3.25Å; N340-A344 WeakPolarHBondContact O-CB 3.4Å; N340-A344 PolarHBondContact O-N 3.19Å; A344-L346 PolarHBondContact O-N 3.43Å; A344-D347 PolarHBondContact O-N 3.24Å
345Y90.3Very high72.3Confident89 Ų8968.1 Ų68.135%0.34940%0.401SS..Hα-helixtrans-63.1-20.9178.570.8-85.5000113.4E13 L342 Y343 D347 V348E13-Y345 PolarHBondContact OE1-OH 2.73Å; L342-Y345 WeakPolarHBondContact O-CE1 3.29Å; Y343-Y345 HydrophobicContact CD1-CE1 4.1Å; Y343-Y345 PolarHBondContact O-N 3.17Å; Y345-D347 VanDerWaalsContact C-N 3.32Å; Y345-V348 PolarHBondContact O-N 3.44Å
346L88.4Confident69.4Low26 Ų2675.7 Ų75.714%0.13643%0.434CS..Hα-helixtrans-69.9-28.7178.4-60.6178.9000112.5P11 Y313 Y343 A344 V348 G349 P375P11-L346 HydrophobicContact CG-CD1 4.24Å; P11-L346 HydrophobicContact CG-CD2 3.55Å; Y313-L346 HydrophobicContact CE1-CD1 4.15Å; Y343-L346 HydrophobicContact CD1-CD1 4.24Å; Y343-L346 HydrophobicContact CG-CD1 4.37Å; Y343-L346 WeakPolarHBondContact O-CB 3.23Å; Y343-L346 WeakPolarHBondContact O-CG 3.44Å; Y343-L346 PolarHBondContact O-N 2.82Å; A344-L346 PolarHBondContact O-N 3.43Å; L346-V348 VanDerWaalsContact C-N 3.28Å; L346-V348 PolarHBondContact O-N 3.4Å; L346-G349 PolarHBondContact O-N 3.27Å; L346-P375 HydrophobicContact CB-CB 4.12Å; L346-P375 WeakPolarHBondContact CB-O 3.3Å
347D79.2Confident66.4Low59 Ų5982.2 Ų82.232%0.31647%0.466SS..Hα-helixtrans-67.3-31.9177.3-81.1-5000112A344 Y345 G349 N350 Y373 P375A344-D347 PolarHBondContact O-N 3.24Å; Y345-D347 VanDerWaalsContact C-N 3.32Å; D347-G349 VanDerWaalsContact C-N 3.29Å; D347-G349 PolarHBondContact O-N 2.87Å; D347-N350 PolarHBondContact O-N 2.97Å; D347-Y373 WeakPolarHBondContact OD1-CE1 3.26Å; D347-Y373 PolarHBondContact OD1-OH 3.49Å; D347-P375 VanDerWaalsContact OD1-CA 3.23Å; D347-P375 WeakPolarHBondContact OD1-CA 3.47Å; D347-P375 VanDerWaalsContact OD1-CB 3.29Å; D347-P375 WeakPolarHBondContact OD1-CB 3.44Å
348V61.8Low63.8Low112 Ų11283.1 Ų83.168%0.67947%0.468SS*.Hα-helixtrans-73.2-25.5-177-160.10000111.3Y345 L346Y345-V348 PolarHBondContact O-N 3.44Å; L346-V348 VanDerWaalsContact C-N 3.28Å; L346-V348 PolarHBondContact O-N 3.4Å
349G51.8Low61Low56 Ų5684.2 Ų84.258%0.57748%0.477SS*.Hα-helixtrans-81.4-27.817800000114.4L346 D347 M351L346-G349 PolarHBondContact O-N 3.27Å; D347-G349 VanDerWaalsContact C-N 3.29Å; D347-G349 PolarHBondContact O-N 2.87Å; G349-M351 VanDerWaalsContact C-N 3.29Å; G349-M351 PolarHBondContact O-N 3.5Å
350N48.2Very low58.5Low102 Ų10291.3 Ų91.355%0.54551%0.51SS..THydrogen-bonded Turntrans-83-3.9178.8-10135.5000113.7D347D347-N350 PolarHBondContact O-N 2.97Å
351M39Very low56.1Low113 Ų11394.2 Ų94.256%0.55753%0.525SS*.THydrogen-bonded Turntrans-134.342.6-176.2-80.9-88.7-159.500112.1G349 M358 V362G349-M351 VanDerWaalsContact C-N 3.29Å; G349-M351 PolarHBondContact O-N 3.5Å; M351-M358 HydrophobicContact CE-CE 3.87Å; M351-M358 HydrophobicContact CG-CE 4.32Å; M351-M358 HydrophobicContact SD-CE 4.41Å; M351-V362 HydrophobicContact CE-CG1 3.55Å
352G36.8Very low53.8Low45 Ų4588.7 Ų88.746%0.46450%0.502SS..  trans-174.3128.9170.300000112.5
353T27.3Very low51.3Low160 Ų16091 Ų9198%0.98252%0.519SS*.SBend-108.993.567.354.10000113.9
354G28Very low48.6Very low52 Ų5295.7 Ų95.754%0.53654%0.54SS..SBendtrans-178.4117165.700000107.9F356G354-F356 VanDerWaalsContact C-N 3.33Å; G354-F356 PolarHBondContact O-N 3.32Å
355N29Very low46.3Very low180 Ų18099.7 Ų99.796%0.96355%0.554SS**  trans-55.996.1173.5-78.64.3000109.3
356F32.7Very low44.1Very low158 Ų15899.5 Ų99.569%0.69356%0.558SS**  trans-116.8111.2162.6-147.5-96000106.4G354 M358G354-F356 VanDerWaalsContact C-N 3.33Å; G354-F356 PolarHBondContact O-N 3.32Å; F356-M358 PolarHBondContact O-N 2.79Å
357E31.2Very low41.8Very low172 Ų172102.6 Ų102.680%0.80458%0.582SS**  trans-51.6125163.2-76.1178.2146.400107.2T359E357-T359 PolarHBondContact O-N 2.93Å
358M39.5Very low39.9Very low108 Ų108108.4 Ų108.453%0.53261%0.605SS.*  trans-59.691.9171.3-97.6-81.5178.500108.1M351 F356 V362M351-M358 HydrophobicContact CE-CE 3.87Å; M351-M358 HydrophobicContact CG-CE 4.32Å; M351-M358 HydrophobicContact SD-CE 4.41Å; F356-M358 PolarHBondContact O-N 2.79Å; M358-V362 HydrophobicContact CE-CG1 3.92Å; M358-V362 HydrophobicContact SD-CB 3.95Å; M358-V362 HydrophobicContact SD-CG1 3.88Å
359T36.2Very low38.6Very low65 Ų65105.2 Ų105.240%0.39960%0.595SS.*  trans-69.8144.8168.546.30000108.3E357 D361 V362E357-T359 PolarHBondContact O-N 2.93Å; T359-D361 PolarHBondContact O-N 2.92Å; T359-V362 PolarHBondContact O-N 3.28Å
360E42.6Very low38.2Very low149 Ų149112.5 Ų112.570%0.69661%0.614SS**Hα-helixtrans-48.9-24.2-179.9-79-169.4157.300113.8K364E360-K364 WeakPolarHBondContact O-CG 3.36Å; E360-K364 PolarHBondContact O-N 3.5Å; E360-K364 IonicContact OE2-NZ 2.77Å
361D42.4Very low38.5Very low111 Ų111115.9 Ų115.959%0.59463%0.626SS**Hα-helixtrans-72.1-28.9-179.6-73.3-27.8000114T359 K364 L365T359-D361 PolarHBondContact O-N 2.92Å; D361-K364 PolarHBondContact O-N 2.9Å; D361-L365 WeakPolarHBondContact O-CB 3.27Å; D361-L365 PolarHBondContact O-N 3.43Å
362V46.7Very low39.9Very low37 Ų37116.3 Ų116.322%0.22463%0.627CS.*Hα-helixtrans-75.3-38.2176.7-178.80000110.8M351 M358 T359 K364 L365 L366M351-V362 HydrophobicContact CE-CG1 3.55Å; M358-V362 HydrophobicContact CE-CG1 3.92Å; M358-V362 HydrophobicContact SD-CB 3.95Å; M358-V362 HydrophobicContact SD-CG1 3.88Å; T359-V362 PolarHBondContact O-N 3.28Å; V362-K364 VanDerWaalsContact C-N 3.32Å; V362-L365 PolarHBondContact O-N 3.47Å; V362-L366 WeakPolarHBondContact O-CG 3.33Å; V362-L366 PolarHBondContact O-N 2.88Å; V362-L366 VanDerWaalsContact O-N 3.15Å
363S40.6Very low42.1Very low62 Ų62119 Ų11943%0.43462%0.624SS.*Hα-helixtrans-65.1-35.3170.5-60.90000112.2S367S363-S367 WeakPolarHBondContact O-CB 3.37Å; S363-S367 PolarHBondContact O-N 2.95Å; S363-S367 PolarHBondContact O-OG 3.38Å
364K38.2Very low45.2Very low104 Ų104112 Ų11245%0.45258%0.579SS.*Hα-helixtrans-68.8-40.1172.7-76.5171-172.7158.80112.1E360 D361 V362 L366 S367 F368E360-K364 WeakPolarHBondContact O-CG 3.36Å; E360-K364 PolarHBondContact O-N 3.5Å; E360-K364 IonicContact OE2-NZ 2.77Å; D361-K364 PolarHBondContact O-N 2.9Å; V362-K364 VanDerWaalsContact C-N 3.32Å; K364-L366 VanDerWaalsContact C-N 3.34Å; K364-L366 PolarHBondContact O-N 3.38Å; K364-S367 CarbonylContact O-C 3.58Å; K364-S367 WeakPolarHBondContact O-CA 3.33Å; K364-S367 WeakPolarHBondContact O-CB 3.31Å; K364-S367 PolarHBondContact O-N 3.37Å; K364-F368 WeakPolarHBondContact O-CD2 3.36Å; K364-F368 PolarHBondContact O-N 3.22Å
365L43.2Very low48.2Very low133 Ų133110 Ų11070%0.69656%0.557SS**Hα-helixtrans-62.9-39.5179.1-156.980.7000112.4D361 V362 S367 F368D361-L365 WeakPolarHBondContact O-CB 3.27Å; D361-L365 PolarHBondContact O-N 3.43Å; V362-L365 PolarHBondContact O-N 3.47Å; L365-S367 PolarHBondContact O-N 3.12Å; L365-F368 PolarHBondContact O-N 3Å
366L42.8Very low51.2Low85 Ų85101.4 Ų101.445%0.44551%0.511SS..Hα-helixtrans-70.2-21.4173.1-66.5170.3000112.8V362 K364V362-L366 WeakPolarHBondContact O-CG 3.33Å; V362-L366 PolarHBondContact O-N 2.88Å; V362-L366 VanDerWaalsContact O-N 3.15Å; K364-L366 VanDerWaalsContact C-N 3.34Å; K364-L366 PolarHBondContact O-N 3.38Å
367S41.2Very low54.2Low92 Ų9293.9 Ų93.964%0.64348%0.478SS*.THydrogen-bonded Turntrans-87.8-3.4177.2-580000114S363 K364 L365 G369S363-S367 WeakPolarHBondContact O-CB 3.37Å; S363-S367 PolarHBondContact O-N 2.95Å; S363-S367 PolarHBondContact O-OG 3.38Å; K364-S367 CarbonylContact O-C 3.58Å; K364-S367 WeakPolarHBondContact O-CA 3.33Å; K364-S367 WeakPolarHBondContact O-CB 3.31Å; K364-S367 PolarHBondContact O-N 3.37Å; L365-S367 PolarHBondContact O-N 3.12Å; S367-G369 VanDerWaalsContact C-N 3.31Å; S367-G369 PolarHBondContact O-N 2.87Å
368F38.5Very low57.3Low180 Ų18087.2 Ų87.279%0.78945%0.447SS*.SBendtrans-78.3-11.7-179.3-96.5-80.2000114.3K364 L365K364-F368 WeakPolarHBondContact O-CD2 3.36Å; K364-F368 PolarHBondContact O-N 3.22Å; L365-F368 PolarHBondContact O-N 3Å
369G35.1Very low59.9Low45 Ų4582.6 Ų82.646%0.46442%0.424SS..SBendtrans-99.5129.1161.600000109S367 Q371S367-G369 VanDerWaalsContact C-N 3.31Å; S367-G369 PolarHBondContact O-N 2.87Å; G369-Q371 PolarHBondContact O-N 2.89Å
370Q42.8Very low62.6Low209 Ų20984.1 Ų84.198%0.97743%0.425SS*.SBendtrans-61.619.4175.4-69.3-171.3-22.200115
371Q54.4Low65Low173 Ų17377 Ų7781%0.80839%0.392SS*.SBendtrans-91.7123.9176.4-75.8-174.1-12.100109.9G369 Y373G369-Q371 PolarHBondContact O-N 2.89Å; Q371-Y373 PolarHBondContact O-N 3.33Å; Q371-Y373 VanDerWaalsContact O-N 3.08Å
372E69.7Low67.3Low122 Ų12274 Ų7457%0.5738%0.376SS*.  trans-57.7112.6171.7-64.2-179.5147.600109.3K336 Y374K336-E372 IonicContact NZ-OE1 2.73Å; K336-E372 PolarHBondContact NZ-OE1 3.36Å; K336-E372 IonicContact NZ-OE2 3.79Å; K336-E372 PolarHBondContact NZ-OE2 2.82Å; E372-Y374 HydrophobicContact CB-CD2 4.44Å; E372-Y374 HydrophobicContact CB-CE2 3.5Å; E372-Y374 WeakPolarHBondContact O-CD2 3.34Å; E372-Y374 WeakPolarHBondContact O-CE2 3.43Å; E372-Y374 PolarHBondContact OE2-OH 3.15Å
373Y83.2Confident69.3Low102 Ų10272.9 Ų72.940%0.437%0.369SS..  trans-82.8137.6175179-94.1000110.5D347 Q371D347-Y373 WeakPolarHBondContact OD1-CE1 3.26Å; D347-Y373 PolarHBondContact OD1-OH 3.49Å; Q371-Y373 PolarHBondContact O-N 3.33Å; Q371-Y373 VanDerWaalsContact O-N 3.08Å
374Y91Very high71.5Confident12 Ų1272.7 Ų72.75%0.04736%0.363CS..  trans-132.4147.3174.3-60.2-81.2000109.8R312 K336 N340 E372 Y376 F378R312-Y374 PolarHBondContact NH1-O 3.42Å; K336-Y374 HydrophobicContact CB-CE1 4.41Å; K336-Y374 HydrophobicContact CD-CE1 4.25Å; K336-Y374 VanDerWaalsContact CD-OH 3.31Å; K336-Y374 WeakPolarHBondContact CD-OH 3.19Å; K336-Y374 WeakPolarHBondContact CE-OH 3.46Å; K336-Y374 HydrophobicContact CG-CE1 4.14Å; K336-Y374 PolarHBondContact NZ-OH 2.88Å; N340-Y374 WeakPolarHBondContact OD1-CD1 3.43Å; E372-Y374 HydrophobicContact CB-CD2 4.44Å; E372-Y374 HydrophobicContact CB-CE2 3.5Å; E372-Y374 WeakPolarHBondContact O-CD2 3.34Å; E372-Y374 WeakPolarHBondContact O-CE2 3.43Å; E372-Y374 PolarHBondContact OE2-OH 3.15Å; Y374-Y376 HydrophobicContact CD1-CE1 4.16Å; Y374-Y376 AromaticContact CD1-CZ 3.8Å; Y374-Y376 WeakPolarHBondContact CD1-OH 3.21Å; Y374-Y376 HydrophobicContact CG-CE1 4.38Å; Y374-Y376 HydrophobicContact CG-CE2 4.34Å; Y374-Y376 AromaticContact CG-CZ 3.98Å; Y374-Y376 PolarHBondContact O-N 3.04Å; Y374-F378 HydrophobicContact CD2-CB 3.62Å; Y374-F378 AromaticContact CD2-CD1 3.76Å; Y374-F378 HydrophobicContact CD2-CD1 3.76Å; Y374-F378 HydrophobicContact CD2-CD2 4.37Å; Y374-F378 AromaticContact CD2-CG 3.66Å; Y374-F378 HydrophobicContact CD2-CG 3.66Å; Y374-F378 HydrophobicContact CE2-CB 4.28Å; Y374-F378 AromaticContact CE2-CD1 3.53Å; Y374-F378 HydrophobicContact CE2-CD1 3.53Å; Y374-F378 HydrophobicContact CE2-CD2 4.36Å; Y374-F378 AromaticContact CE2-CE1 3.89Å; Y374-F378 HydrophobicContact CE2-CE1 3.89Å; Y374-F378 AromaticContact CE2-CG 3.8Å; Y374-F378 HydrophobicContact CE2-CG 3.8Å; Y374-F378 HydrophobicContact CE2-CZ 4.45Å; Y374-F378 HydrophobicContact CG-CB 4.18Å; Y374-F378 HydrophobicContact CG-CG 4.41Å
375P90.8Very high73.9Confident10 Ų1068 Ų687%0.06534%0.343CS..SBendtrans-62.3-22.5176.5-2130.8000113.7N340 Y343 L346 D347N340-P375 VanDerWaalsContact OD1-CD 3.24Å; N340-P375 WeakPolarHBondContact OD1-CD 3.44Å; Y343-P375 VanDerWaalsContact O-CB 3.29Å; Y343-P375 WeakPolarHBondContact O-CB 3.49Å; L346-P375 HydrophobicContact CB-CB 4.12Å; L346-P375 WeakPolarHBondContact CB-O 3.3Å; D347-P375 VanDerWaalsContact OD1-CA 3.23Å; D347-P375 WeakPolarHBondContact OD1-CA 3.47Å; D347-P375 VanDerWaalsContact OD1-CB 3.29Å; D347-P375 WeakPolarHBondContact OD1-CB 3.44Å
376Y93.6Very high75.7Confident1 Ų163 Ų630%0.00432%0.318CS..SBendtrans-107.4163.7178.355.2-87000110.9I8 S9 R312 L339 Y343 Y374 F378I8-Y376 HydrophobicContact CB-CD2 4.05Å; I8-Y376 HydrophobicContact CB-CE2 4.24Å; I8-Y376 HydrophobicContact CG2-CD2 4.17Å; I8-Y376 HydrophobicContact CG2-CE2 3.85Å; S9-Y376 WeakPolarHBondContact O-CB 3.26Å; R312-Y376 PolarHBondContact NH1-O 3.41Å; L339-Y376 HydrophobicContact CB-CE1 3.67Å; L339-Y376 VanDerWaalsContact CB-OH 3.27Å; L339-Y376 WeakPolarHBondContact CB-OH 3.49Å; L339-Y376 HydrophobicContact CD1-CE2 4.43Å; L339-Y376 WeakPolarHBondContact CD1-OH 3.47Å; Y343-Y376 AromaticContact CD2-CD1 3.57Å; Y343-Y376 HydrophobicContact CD2-CD1 3.57Å; Y343-Y376 HydrophobicContact CD2-CE1 4.19Å; Y343-Y376 AromaticContact CD2-CG 3.88Å; Y343-Y376 HydrophobicContact CD2-CG 3.88Å; Y343-Y376 HydrophobicContact CG-CD1 4.08Å; Y343-Y376 HydrophobicContact CG-CG 4.44Å; Y374-Y376 HydrophobicContact CD1-CE1 4.16Å; Y374-Y376 AromaticContact CD1-CZ 3.8Å; Y374-Y376 WeakPolarHBondContact CD1-OH 3.21Å; Y374-Y376 HydrophobicContact CG-CE1 4.38Å; Y374-Y376 HydrophobicContact CG-CE2 4.34Å; Y374-Y376 AromaticContact CG-CZ 3.98Å; Y374-Y376 PolarHBondContact O-N 3.04Å; Y376-F378 HydrophobicContact CD2-CB 4.35Å; Y376-F378 HydrophobicContact CE2-CB 4.06Å; Y376-F378 HydrophobicContact CE2-CD2 4.04Å; Y376-F378 HydrophobicContact CE2-CG 4.5Å; Y376-F378 PolarHBondContact O-N 3.5Å
377V94.7Very high76.7Confident0 Ų066.9 Ų66.90%033%0.334CS..EExtended strand (participates in β ladder)trans-67.4130.4173.8173.50000108.7I8 S9 V305 E308 Y313I8-V377 CarbonylContact C-O 3.14Å; I8-V377 WeakPolarHBondContact CA-O 3.44Å; S9-V377 PolarHBondContact N-O 3.42Å; S9-V377 PolarHBondContact O-N 3.44Å; V305-V377 HydrophobicContact CG1-CG1 4.42Å; V305-V377 HydrophobicContact CG2-CG1 4.38Å; E308-V377 HydrophobicContact CB-CG1 3.96Å; E308-V377 HydrophobicContact CB-CG2 3.95Å; Y313-V377 HydrophobicContact CE2-CG2 4.23Å; Y313-V377 PolarHBondContact OH-N 3.38Å; Y313-V377 VanDerWaalsContact OH-N 3.15Å
378F95.4Very high76.8Confident32 Ų3266.9 Ų66.914%0.1433%0.334CS..EExtended strand (participates in β ladder)trans-138.3121.9-178.4176.8-91.5000111.1W6 I8 Y374 Y376 K380W6-F378 HydrophobicContact CB-CE2 3.82Å; W6-F378 HydrophobicContact CB-CZ 4.48Å; W6-F378 AromaticContact CD1-CZ 3.96Å; W6-F378 AromaticContact CD2-CE2 3.74Å; W6-F378 HydrophobicContact CD2-CE2 3.74Å; W6-F378 HydrophobicContact CD2-CZ 4.15Å; W6-F378 HydrophobicContact CE3-CE2 4.06Å; W6-F378 AromaticContact CG-CE2 3.64Å; W6-F378 HydrophobicContact CG-CE2 3.64Å; W6-F378 AromaticContact CG-CZ 3.99Å; W6-F378 HydrophobicContact CG-CZ 3.99Å; I8-F378 HydrophobicContact CG2-CD2 3.83Å; I8-F378 HydrophobicContact CG2-CE2 4.5Å; Y374-F378 HydrophobicContact CD2-CB 3.62Å; Y374-F378 AromaticContact CD2-CD1 3.76Å; Y374-F378 HydrophobicContact CD2-CD1 3.76Å; Y374-F378 HydrophobicContact CD2-CD2 4.37Å; Y374-F378 AromaticContact CD2-CG 3.66Å; Y374-F378 HydrophobicContact CD2-CG 3.66Å; Y374-F378 HydrophobicContact CE2-CB 4.28Å; Y374-F378 AromaticContact CE2-CD1 3.53Å; Y374-F378 HydrophobicContact CE2-CD1 3.53Å; Y374-F378 HydrophobicContact CE2-CD2 4.36Å; Y374-F378 AromaticContact CE2-CE1 3.89Å; Y374-F378 HydrophobicContact CE2-CE1 3.89Å; Y374-F378 AromaticContact CE2-CG 3.8Å; Y374-F378 HydrophobicContact CE2-CG 3.8Å; Y374-F378 HydrophobicContact CE2-CZ 4.45Å; Y374-F378 HydrophobicContact CG-CB 4.18Å; Y374-F378 HydrophobicContact CG-CG 4.41Å; Y376-F378 HydrophobicContact CD2-CB 4.35Å; Y376-F378 HydrophobicContact CE2-CB 4.06Å; Y376-F378 HydrophobicContact CE2-CD2 4.04Å; Y376-F378 HydrophobicContact CE2-CG 4.5Å; Y376-F378 PolarHBondContact O-N 3.5Å; F378-K380 HydrophobicContact CE1-CB 4.33Å
379L94.5Very high76.4Confident10 Ų1063.3 Ų63.35%0.05233%0.331CS..EExtended strand (participates in β ladder)trans-127.2136.6170.6-59.4-179.6000110L7 R304 V305L7-L379 HydrophobicContact CB-CB 4.37Å; L7-L379 PolarHBondContact N-O 3Å; L7-L379 PolarHBondContact O-N 2.94Å; R304-L379 HydrophobicContact CB-CD1 3.59Å; V305-L379 HydrophobicContact CG2-CD1 3.57Å; V305-L379 HydrophobicContact CG2-CG 4.25Å
380K93.3Very high76.2Confident97 Ų9767.1 Ų67.142%0.42235%0.345SS..EExtended strand (participates in β ladder)trans-93.6138.6173.9-177.9168.7169.8156.90110.7E4 K301 F378E4-K380 HydrophobicContact CG-CD 4.48Å; E4-K380 WeakPolarHBondContact OE1-CE 3.08Å; E4-K380 IonicContact OE1-NZ 3.98Å; E4-K380 PolarHBondContact OE1-NZ 2.72Å; E4-K380 IonicContact OE2-NZ 3.75Å; E4-K380 PolarHBondContact OE2-NZ 3.47Å; K301-K380 PolarHBondContact NZ-O 3.33Å; F378-K380 HydrophobicContact CE1-CB 4.33Å
381I93Very high75.5Confident0 Ų065.4 Ų65.40%034%0.335CS..EExtended strand (participates in β ladder)trans-119.7122.7171.1-44.5-170.6000107.5Y5 L7 V119 I298 K301 L323 T383Y5-I381 PolarHBondContact N-O 3.02Å; Y5-I381 PolarHBondContact O-N 3.14Å; L7-I381 HydrophobicContact CB-CD1 4.18Å; L7-I381 HydrophobicContact CB-CG1 4.44Å; L7-I381 HydrophobicContact CD2-CD1 4.47Å; V119-I381 HydrophobicContact CG1-CD1 4.15Å; I298-I381 HydrophobicContact CD1-CD1 4.2Å; I298-I381 HydrophobicContact CD1-CG2 4.04Å; K301-I381 HydrophobicContact CD-CB 4.41Å; K301-I381 HydrophobicContact CD-CD1 3.65Å; K301-I381 HydrophobicContact CD-CG1 3.51Å; K301-I381 HydrophobicContact CD-CG2 4.43Å; L323-I381 HydrophobicContact CD1-CD1 4.02Å; I381-T383 HydrophobicContact CG2-CG2 4.33Å
382N90.9Very high74.1Confident49 Ų4962.4 Ų62.426%0.26233%0.333SS..EExtended strand (participates in β ladder)trans-113.7106.1175.5-1751000110.2G3 R68 D384G3-N382 CarbonylContact O-C 3.53Å; G3-N382 WeakPolarHBondContact O-CA 3.48Å; R68-N382 PolarHBondContact NH2-O 2.85Å; N382-D384 VanDerWaalsContact C-N 3.31Å; N382-D384 VanDerWaalsContact OD1-CB 3.3Å; N382-D384 WeakPolarHBondContact OD1-CB 3.23Å; N382-D384 PolarHBondContact OD1-N 3.44Å
383T88.9Confident72.2Confident13 Ų1367.8 Ų67.88%0.0836%0.357CS..  trans-85.8-0.5177.466.70000113.2G3 Y5 I115 V119 F294 I381 L385G3-T383 WeakPolarHBondContact CA-OG1 3.49Å; G3-T383 PolarHBondContact O-N 3.49Å; G3-T383 PolarHBondContact O-OG1 3.31Å; Y5-T383 HydrophobicContact CD2-CG2 3.86Å; Y5-T383 HydrophobicContact CE2-CG2 3.73Å; I115-T383 HydrophobicContact CG2-CG2 3.67Å; V119-T383 HydrophobicContact CG2-CG2 4.08Å; F294-T383 HydrophobicContact CZ-CG2 4.24Å; I381-T383 HydrophobicContact CG2-CG2 4.33Å; T383-L385 VanDerWaalsContact C-N 3.32Å; T383-L385 PolarHBondContact O-N 3.15Å
384D87.2Confident71.7Confident57 Ų5766.1 Ų66.131%0.30536%0.355SS..  trans-77.289.6165.7-62-32.6000107.9G3 R68 N382G3-D384 PolarHBondContact N-OD2 3.46Å; R68-D384 PolarHBondContact NH1-O 3.46Å; N382-D384 VanDerWaalsContact C-N 3.31Å; N382-D384 VanDerWaalsContact OD1-CB 3.3Å; N382-D384 WeakPolarHBondContact OD1-CB 3.23Å; N382-D384 PolarHBondContact OD1-N 3.44Å
385L87.3Confident70.6Confident6 Ų668.9 Ų68.93%0.03137%0.372CS..  trans-87-14.9-170.9-62.9179.4000113.8T67 R68 V71 I115 F290 F294 W297 T383T67-L385 HydrophobicContact CG2-CD1 4.24Å; T67-L385 HydrophobicContact CG2-CD2 4.46Å; R68-L385 HydrophobicContact CG-CD2 4.48Å; V71-L385 HydrophobicContact CB-CB 4.29Å; V71-L385 HydrophobicContact CG1-CB 3.97Å; V71-L385 HydrophobicContact CG2-CB 4.07Å; V71-L385 HydrophobicContact CG2-CD1 3.91Å; I115-L385 HydrophobicContact CD1-CD1 3.92Å; F290-L385 HydrophobicContact CE2-CD1 3.62Å; F290-L385 HydrophobicContact CZ-CD1 3.91Å; F294-L385 HydrophobicContact CD2-CD1 4.24Å; F294-L385 HydrophobicContact CE2-CD1 4.34Å; W297-L385 HydrophobicContact CZ3-CD2 4Å; T383-L385 VanDerWaalsContact C-N 3.32Å; T383-L385 PolarHBondContact O-N 3.15Å
386T82Confident69.5Low29 Ų2972.2 Ų72.218%0.17839%0.389CS..SBendtrans-95.5135.5173.557.60000110V71 L85 Y86 S388V71-T386 HydrophobicContact CG1-CG2 4.08Å; L85-T386 HydrophobicContact CD2-CG2 3.54Å; Y86-T386 PolarHBondContact OH-OG1 3.14Å; Y86-T386 VanDerWaalsContact OH-OG1 3.1Å; T386-S388 PolarHBondContact O-N 3.25Å
387E63.3Low68.1Low165 Ų16576.4 Ų76.477%0.77141%0.411SS*.  trans-60.7111.4166.4-74.1-175.217400108.5S389E387-S389 PolarHBondContact O-N 3.2Å
388S44.3Very low66.4Low92 Ų9281.2 Ų81.264%0.64344%0.437SS*.  trans-7573.6179.9-51.50000109.5T386 V390T386-S388 PolarHBondContact O-N 3.25Å; S388-V390 PolarHBondContact O-N 2.75Å
389S29.9Very low64.5Low106 Ų10684.5 Ų84.574%0.74146%0.457SS*.  trans-78.7-0.9169-56.70000112.3E387 K391E387-S389 PolarHBondContact O-N 3.2Å; S389-K391 PolarHBondContact O-N 3.47Å
390V30.8Very low62.4Low124 Ų12489.8 Ų89.875%0.75249%0.486SS*.  trans-96.676.8171.2-168.30000108.8S388 S392S388-V390 PolarHBondContact O-N 2.75Å; V390-S392 PolarHBondContact O-N 3.32Å; V390-S392 VanDerWaalsContact O-N 3.16Å
391K26.7Very low60Low174 Ų17489.2 Ų89.276%0.75749%0.491SS*.  trans-68.397.7144.7-75.2-177.2178.6178.60105.4S389 H393S389-K391 PolarHBondContact O-N 3.47Å; K391-H393 VanDerWaalsContact C-N 3.28Å; K391-H393 PolarHBondContact O-N 2.81Å
392S25.9Very low57.3Low110 Ų11096.7 Ų96.777%0.76953%0.531SS*.  trans-63.5100.3157.440.80000106.8V390V390-S392 PolarHBondContact O-N 3.32Å; V390-S392 VanDerWaalsContact O-N 3.16Å
393H29.9Very low54.2Low235 Ų235101 Ų101100%1.08856%0.556SS**  trans-87.70160.2-88.9-51.5000109.3K391K391-H393 VanDerWaalsContact C-N 3.28Å; K391-H393 PolarHBondContact O-N 2.81Å

Retrieved 393 of 393 residues in 371.2 ms (Link to these results)