A0A077ZGI4_TRITR Loading...

Adenylyltransferase and sulfurtransferase

AlphaFold DB , UniProt , Accession A0A077ZGI4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 380 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
1M61.8Low84.1Confident251 Ų251125.5 Ų125.5100%1.23663%0.625SS**  0131.40-96.1-179.3-8700107.2
2Y74.7Confident85Confident198 Ų198116.1 Ų116.178%0.77658%0.578SS**  trans-115152.9173.754.9-97000108.6I4Y2-I4 HydrophobicContact CD2-CD1 4.26Å; Y2-I4 HydrophobicContact CD2-CG1 4Å; Y2-I4 HydrophobicContact CE2-CD1 3.8Å; Y2-I4 HydrophobicContact CE2-CG1 4.06Å
3E76.5Confident85.7Confident158 Ų158111.5 Ų111.574%0.73856%0.556SS**  trans-109.6135.7175.1-67.8-178.4176.100109.6H5E3-H5 IonicContact OE2-CE1 3.53Å; E3-H5 IonicContact OE2-NE2 2.87Å; E3-H5 PolarHBondContact OE2-NE2 2.87Å
4I78.3Confident86.3Confident104 Ų104115.8 Ų115.853%0.53357%0.569SS.*  trans-108.8113.7175.9-65.5174.7000107.8Y2 H6Y2-I4 HydrophobicContact CD2-CD1 4.26Å; Y2-I4 HydrophobicContact CD2-CG1 4Å; Y2-I4 HydrophobicContact CE2-CD1 3.8Å; Y2-I4 HydrophobicContact CE2-CG1 4.06Å; I4-H6 WeakPolarHBondContact CG2-CE1 3.35Å
5H83.2Confident86.9Confident151 Ų151115.9 Ų115.970%0.69956%0.561SS**  trans-103.245.7180-68.1-75.1000111.6E3E3-H5 IonicContact OE2-CE1 3.53Å; E3-H5 IonicContact OE2-NE2 2.87Å; E3-H5 PolarHBondContact OE2-NE2 2.87Å
6H89.1Confident87.5Confident47 Ų47109.1 Ų109.122%0.21853%0.528CS..  trans-157159.1177.867.754.4000113.3I4 F8 V27I4-H6 WeakPolarHBondContact CG2-CE1 3.35Å; H6-F8 HydrophobicContact CB-CD2 4.07Å; H6-F8 PolarHBondContact ND1-N 3.3Å; H6-V27 HydrophobicContact CB-CG1 3.48Å; H6-V27 VanDerWaalsContact CB-CG1 3.48Å
7N89.8Confident88Confident160 Ų160105.9 Ų105.986%0.85652%0.519SS*.  trans-10825.5177.6-74.4-9.1000114
8F93.3Very high88.5Confident17 Ų17112.1 Ų112.18%0.07554%0.536CS..  trans-76135.6172.8-69.1-65.7000111.7H6 E12 L13 V27 Q30 T31 K34H6-F8 HydrophobicContact CB-CD2 4.07Å; H6-F8 PolarHBondContact ND1-N 3.3Å; F8-E12 HydrophobicContact CB-CB 4.16Å; F8-E12 HydrophobicContact CD1-CB 3.9Å; F8-E12 HydrophobicContact CD1-CG 4.48Å; F8-E12 HydrophobicContact CG-CB 4.44Å; F8-L13 HydrophobicContact CB-CD2 3.79Å; F8-L13 HydrophobicContact CB-CG 3.85Å; F8-L13 HydrophobicContact CD2-CD2 4.34Å; F8-L13 HydrophobicContact CG-CD2 4.36Å; F8-V27 HydrophobicContact CE2-CG1 4.2Å; F8-Q30 HydrophobicContact CE1-CG 3.74Å; F8-Q30 HydrophobicContact CE2-CB 4Å; F8-Q30 HydrophobicContact CE2-CG 4Å; F8-Q30 HydrophobicContact CZ-CB 3.64Å; F8-Q30 HydrophobicContact CZ-CG 3.34Å; F8-T31 WeakPolarHBondContact CE2-OG1 3.49Å; F8-T31 WeakPolarHBondContact CZ-OG1 3.27Å; F8-K34 HydrophobicContact CD1-CD 4.41Å; F8-K34 HydrophobicContact CE1-CD 3.85Å
9S92.7Very high88.9Confident51 Ų51108.4 Ų108.436%0.35752%0.518SS..  trans-65.3159.8166.463.10000111.2E11 E12 L13S9-E11 PolarHBondContact O-N 2.97Å; S9-E12 PolarHBondContact N-OE2 3.19Å; S9-E12 PolarHBondContact O-N 3.2Å; S9-E12 VanDerWaalsContact O-N 3.13Å; S9-E12 WeakPolarHBondContact OG-CB 3.46Å; S9-E12 VanDerWaalsContact OG-CG 3.27Å; S9-E12 WeakPolarHBondContact OG-CG 3.25Å; S9-E12 PolarHBondContact OG-N 3.04Å; S9-E12 PolarHBondContact OG-OE2 3.14Å; S9-L13 PolarHBondContact O-N 3.22Å
10S92.2Very high89.2Confident106 Ų106104.4 Ų104.474%0.74150%0.5SS*.Hα-helixtrans-58.2-33.5175.3-52.50000112.6K14S10-K14 WeakPolarHBondContact O-CB 3.17Å; S10-K14 PolarHBondContact O-N 2.71Å
11E93.4Very high89.5Confident137 Ų137106 Ų10664%0.6451%0.509SS*.Hα-helixtrans-68-42.7175.5-66.2-171.9169.400112.3S9 K14 R15S9-E11 PolarHBondContact O-N 2.97Å; E11-K14 PolarHBondContact O-N 2.94Å; E11-R15 VanDerWaalsContact O-CB 3.31Å; E11-R15 WeakPolarHBondContact O-CB 3.48Å; E11-R15 PolarHBondContact O-N 3.13Å
12E94.4Very high91.2Very high13 Ų1398.3 Ų98.36%0.06147%0.473CS..Hα-helixtrans-64.3-44.6175.1-73.9173.7116.500111.7F8 S9 K14 R15 Y16 K34F8-E12 HydrophobicContact CB-CB 4.16Å; F8-E12 HydrophobicContact CD1-CB 3.9Å; F8-E12 HydrophobicContact CD1-CG 4.48Å; F8-E12 HydrophobicContact CG-CB 4.44Å; S9-E12 PolarHBondContact N-OE2 3.19Å; S9-E12 PolarHBondContact O-N 3.2Å; S9-E12 VanDerWaalsContact O-N 3.13Å; S9-E12 WeakPolarHBondContact OG-CB 3.46Å; S9-E12 VanDerWaalsContact OG-CG 3.27Å; S9-E12 WeakPolarHBondContact OG-CG 3.25Å; S9-E12 PolarHBondContact OG-N 3.04Å; S9-E12 PolarHBondContact OG-OE2 3.14Å; E12-K14 VanDerWaalsContact C-N 3.3Å; E12-K14 PolarHBondContact O-N 3.42Å; E12-R15 PolarHBondContact O-N 3.07Å; E12-Y16 HydrophobicContact CB-CD2 4.09Å; E12-Y16 HydrophobicContact CB-CE2 4.05Å; E12-Y16 HydrophobicContact CG-CE2 4.08Å; E12-Y16 WeakPolarHBondContact O-CB 3Å; E12-Y16 WeakPolarHBondContact O-CD2 3.49Å; E12-Y16 PolarHBondContact O-N 3.5Å; E12-K34 VanDerWaalsContact CD-NZ 3.31Å; E12-K34 WeakPolarHBondContact OE1-CD 3.48Å; E12-K34 VanDerWaalsContact OE1-CE 3.25Å; E12-K34 WeakPolarHBondContact OE1-CE 3.43Å; E12-K34 IonicContact OE1-NZ 2.71Å; E12-K34 PolarHBondContact OE1-NZ 3.33Å; E12-K34 IonicContact OE2-NZ 3.14Å; E12-K34 PolarHBondContact OE2-NZ 2.83Å; E12-K34 VanDerWaalsContact OE2-NZ 3.14Å
13L94Very high92.2Very high56 Ų5694.4 Ų94.429%0.29347%0.472SS..Hα-helixtrans-58-43.9175.1-72.7178.1000111.5F8 S9 S17 L20F8-L13 HydrophobicContact CB-CD2 3.79Å; F8-L13 HydrophobicContact CB-CG 3.85Å; F8-L13 HydrophobicContact CD2-CD2 4.34Å; F8-L13 HydrophobicContact CG-CD2 4.36Å; S9-L13 PolarHBondContact O-N 3.22Å; L13-S17 WeakPolarHBondContact O-CA 3.47Å; L13-S17 VanDerWaalsContact O-CB 3.23Å; L13-S17 WeakPolarHBondContact O-CB 3.39Å; L13-S17 PolarHBondContact O-N 3.13Å; L13-L20 HydrophobicContact CD2-CD1 3.78Å
14K95Very high93Very high172 Ų17293 Ų9375%0.74847%0.465SS*.Hα-helixtrans-64.6-48.2177.2-172.2175.6179.6-1800111.3S10 E11 E12 S17S10-K14 WeakPolarHBondContact O-CB 3.17Å; S10-K14 PolarHBondContact O-N 2.71Å; E11-K14 PolarHBondContact O-N 2.94Å; E12-K14 VanDerWaalsContact C-N 3.3Å; E12-K14 PolarHBondContact O-N 3.42Å; K14-S17 WeakPolarHBondContact O-CB 3.49Å; K14-S17 PolarHBondContact O-N 3.26Å; K14-S17 PolarHBondContact O-OG 2.78Å
15R95.2Very high93.8Very high118 Ų11889 Ų8945%0.44545%0.445SS..Hα-helixtrans-60.7-44.6-179.5-176.2172.8-72.7170.53.8112E11 E12 N97 S98 N99E11-R15 VanDerWaalsContact O-CB 3.31Å; E11-R15 WeakPolarHBondContact O-CB 3.48Å; E11-R15 PolarHBondContact O-N 3.13Å; E12-R15 PolarHBondContact O-N 3.07Å; R15-N97 PolarHBondContact NH1-OD1 2.73Å; R15-S98 PolarHBondContact NH1-OG 3.49Å; R15-N99 PolarHBondContact NH1-ND2 3.45Å
16Y96.3Very high94.4Very high6 Ų682.6 Ų82.62%0.02442%0.42CS..Hα-helixtrans-99.26.8-175.6-50.7-49.1000113.8E12 R18 Q19 L20 Q30 A56 G58 N97E12-Y16 HydrophobicContact CB-CD2 4.09Å; E12-Y16 HydrophobicContact CB-CE2 4.05Å; E12-Y16 HydrophobicContact CG-CE2 4.08Å; E12-Y16 WeakPolarHBondContact O-CB 3Å; E12-Y16 WeakPolarHBondContact O-CD2 3.49Å; E12-Y16 PolarHBondContact O-N 3.5Å; Y16-R18 PolarHBondContact O-N 3.36Å; Y16-R18 VanDerWaalsContact O-N 3.1Å; Y16-Q19 WeakPolarHBondContact O-CG 3.27Å; Y16-Q19 PolarHBondContact O-N 3.03Å; Y16-L20 WeakPolarHBondContact O-CB 3.5Å; Y16-L20 WeakPolarHBondContact O-CG 3.26Å; Y16-L20 PolarHBondContact O-N 3.26Å; Y16-Q30 HydrophobicContact CD2-CG 4.17Å; Y16-Q30 HydrophobicContact CG-CG 4.45Å; Y16-A56 WeakPolarHBondContact CE1-O 3.28Å; Y16-G58 WeakPolarHBondContact OH-CA 3.42Å; Y16-N97 PolarHBondContact OH-ND2 3.07Å
17S95.7Very high94.7Very high55 Ų5582.9 Ų82.939%0.38543%0.425SS..Hα-helixtrans-47.1-44.5-176.950.80000113.8L13 K14 Q19 L20L13-S17 WeakPolarHBondContact O-CA 3.47Å; L13-S17 VanDerWaalsContact O-CB 3.23Å; L13-S17 WeakPolarHBondContact O-CB 3.39Å; L13-S17 PolarHBondContact O-N 3.13Å; K14-S17 WeakPolarHBondContact O-CB 3.49Å; K14-S17 PolarHBondContact O-N 3.26Å; K14-S17 PolarHBondContact O-OG 2.78Å; S17-Q19 PolarHBondContact O-N 3Å; S17-L20 PolarHBondContact O-N 2.86Å
18R96.8Very high95Very high218 Ų21881.1 Ų81.182%0.82342%0.42SS*.Hα-helixtrans-72-27.1-177-64-172.3-178.4-1660.6114.1Y16 I21Y16-R18 PolarHBondContact O-N 3.36Å; Y16-R18 VanDerWaalsContact O-N 3.1Å; R18-I21 WeakPolarHBondContact O-CG1 3.12Å
19Q96Very high95.1Very high42 Ų4280.4 Ų80.420%0.19642%0.417CS..Hα-helixtrans-91.1-27.817662-172.973.100111.8Y16 S17 I21 L22 L25 A57Y16-Q19 WeakPolarHBondContact O-CG 3.27Å; Y16-Q19 PolarHBondContact O-N 3.03Å; S17-Q19 PolarHBondContact O-N 3Å; Q19-I21 PolarHBondContact O-N 3.09Å; Q19-L22 HydrophobicContact CB-CD1 4.44Å; Q19-L22 WeakPolarHBondContact O-CB 3.35Å; Q19-L22 PolarHBondContact O-N 3.18Å; Q19-L22 VanDerWaalsContact O-N 3.1Å; Q19-L25 HydrophobicContact CB-CD2 3.78Å; Q19-L25 HydrophobicContact CG-CD2 4.02Å; Q19-A57 PolarHBondContact NE2-O 3.2Å
20L95.6Very high95.3Very high28 Ų2878 Ų7815%0.14740%0.4CS..Hα-helixtrans-61.7-25.5174.7-78.6169.4000113.6L13 Y16 S17 L22 G26 V27 Q30L13-L20 HydrophobicContact CD2-CD1 3.78Å; Y16-L20 WeakPolarHBondContact O-CB 3.5Å; Y16-L20 WeakPolarHBondContact O-CG 3.26Å; Y16-L20 PolarHBondContact O-N 3.26Å; S17-L20 PolarHBondContact O-N 2.86Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-G26 WeakPolarHBondContact O-CA 3.45Å; L20-V27 HydrophobicContact CD2-CG2 4.24Å; L20-Q30 HydrophobicContact CD2-CB 3.55Å; L20-Q30 HydrophobicContact CD2-CG 3.94Å
21I96Very high95.6Very high138 Ų13875.5 Ų75.571%0.70838%0.381SS*.THydrogen-bonded Turntrans-81.8-6.5177.761.1166.1000113.6R18 Q19 P23R18-I21 WeakPolarHBondContact O-CG1 3.12Å; Q19-I21 PolarHBondContact O-N 3.09Å; I21-P23 WeakPolarHBondContact O-CD 3.43Å
22L96.9Very high95.8Very high89 Ų8970.6 Ų70.647%0.46636%0.364SS..  trans-72.7124.5175.9-64.2173.9000109.4Q19 L20 E24 L25 G26Q19-L22 HydrophobicContact CB-CD1 4.44Å; Q19-L22 WeakPolarHBondContact O-CB 3.35Å; Q19-L22 PolarHBondContact O-N 3.18Å; Q19-L22 VanDerWaalsContact O-N 3.1Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L22-E24 PolarHBondContact O-N 3.18Å; L22-L25 HydrophobicContact CB-CB 4.09Å; L22-L25 PolarHBondContact O-N 3.39Å; L22-G26 PolarHBondContact O-N 2.98Å
23P95.4Very high95.9Very high117 Ų11770 Ų7076%0.7636%0.361SS*.THydrogen-bonded Turntrans-56.7-37.1-178.3-26.534.8000113.8I21 L25I21-P23 WeakPolarHBondContact O-CD 3.43Å; P23-L25 VanDerWaalsContact C-N 3.27Å; P23-L25 PolarHBondContact O-N 3.37Å
24E94.6Very high96.1Very high129 Ų12971 Ų7160%0.60336%0.362SS*.THydrogen-bonded Turntrans-76-15-179-58.181.3178.900113.1L22 L213L22-E24 PolarHBondContact O-N 3.18Å; E24-L213 HydrophobicContact CB-CD1 4.2Å
25L95.1Very high96.2Very high18 Ų1868.3 Ų68.39%0.09436%0.357CS..THydrogen-bonded Turntrans-107.9-69.5178.9-164.372.7000110.5Q19 L22 P23 G29 L33 A211Q19-L25 HydrophobicContact CB-CD2 3.78Å; Q19-L25 HydrophobicContact CG-CD2 4.02Å; L22-L25 HydrophobicContact CB-CB 4.09Å; L22-L25 PolarHBondContact O-N 3.39Å; P23-L25 VanDerWaalsContact C-N 3.27Å; P23-L25 PolarHBondContact O-N 3.37Å; L25-G29 WeakPolarHBondContact O-CA 3.39Å; L25-G29 PolarHBondContact O-N 2.94Å; L25-L33 HydrophobicContact CD1-CD1 3.9Å; L25-L33 HydrophobicContact CD1-CG 4.36Å; L25-L33 HydrophobicContact CD2-CD1 4.13Å; L25-A211 HydrophobicContact CD1-CB 3.58Å
26G94.6Very high96.3Very high18 Ų1864.2 Ų64.219%0.18634%0.342CS..Hα-helixtrans56-165.5-177.900000114L20 L22 V28 Q30L20-G26 WeakPolarHBondContact O-CA 3.45Å; L22-G26 PolarHBondContact O-N 2.98Å; G26-V28 VanDerWaalsContact C-N 3.31Å; G26-V28 PolarHBondContact O-N 3.17Å; G26-Q30 WeakPolarHBondContact O-CB 3.31Å; G26-Q30 PolarHBondContact O-N 2.73Å
27V95.3Very high96.5Very high53 Ų5368.6 Ų68.632%0.32136%0.358SS..Hα-helixtrans-62.1-39.1173.4169.40000111.7H6 F8 L20 T31H6-V27 HydrophobicContact CB-CG1 3.48Å; H6-V27 VanDerWaalsContact CB-CG1 3.48Å; F8-V27 HydrophobicContact CE2-CG1 4.2Å; L20-V27 HydrophobicContact CD2-CG2 4.24Å; V27-T31 WeakPolarHBondContact O-CB 3.41Å; V27-T31 PolarHBondContact O-N 2.93Å; V27-T31 PolarHBondContact O-OG1 3.48Å
28V95.5Very high96.6Very high123 Ų12366 Ų6675%0.74534%0.34SS*.Hα-helixtrans-64-52.6-177.2176.60000110.4G26 T31 A32G26-V28 VanDerWaalsContact C-N 3.31Å; G26-V28 PolarHBondContact O-N 3.17Å; V28-T31 WeakPolarHBondContact O-CB 3.34Å; V28-T31 PolarHBondContact O-N 3.36Å; V28-A32 PolarHBondContact O-N 3.47Å
29G97Very high96.7Very high2 Ų255.6 Ų55.62%0.02130%0.301CS..Hα-helixtrans-63.6-41.3177.600000112.1L25 T31 A32 L33L25-G29 WeakPolarHBondContact O-CA 3.39Å; L25-G29 PolarHBondContact O-N 2.94Å; G29-T31 VanDerWaalsContact C-N 3.28Å; G29-T31 PolarHBondContact O-N 3.48Å; G29-A32 WeakPolarHBondContact O-CB 3.39Å; G29-A32 PolarHBondContact O-N 3.07Å; G29-L33 WeakPolarHBondContact O-CG 3.18Å; G29-L33 PolarHBondContact O-N 2.91Å
30Q97.3Very high96.8Very high1 Ų153.6 Ų53.61%0.00529%0.292CS..Hα-helixtrans-61.4-38.7174.5-168.763.444.800112.4F8 Y16 L20 G26 A32 L33 K34 A57F8-Q30 HydrophobicContact CE1-CG 3.74Å; F8-Q30 HydrophobicContact CE2-CB 4Å; F8-Q30 HydrophobicContact CE2-CG 4Å; F8-Q30 HydrophobicContact CZ-CB 3.64Å; F8-Q30 HydrophobicContact CZ-CG 3.34Å; Y16-Q30 HydrophobicContact CD2-CG 4.17Å; Y16-Q30 HydrophobicContact CG-CG 4.45Å; L20-Q30 HydrophobicContact CD2-CB 3.55Å; L20-Q30 HydrophobicContact CD2-CG 3.94Å; G26-Q30 WeakPolarHBondContact O-CB 3.31Å; G26-Q30 PolarHBondContact O-N 2.73Å; Q30-A32 VanDerWaalsContact C-N 3.32Å; Q30-L33 PolarHBondContact O-N 2.75Å; Q30-K34 WeakPolarHBondContact O-CB 3.48Å; Q30-K34 PolarHBondContact O-N 2.97Å; Q30-A57 PolarHBondContact NE2-O 3.2Å
31T96.7Very high96.9Very high53 Ų5352.5 Ų52.533%0.32529%0.286SS..Hα-helixtrans-67.3-39.2178-580000110.1F8 V27 V28 G29 K34 N35F8-T31 WeakPolarHBondContact CE2-OG1 3.49Å; F8-T31 WeakPolarHBondContact CZ-OG1 3.27Å; V27-T31 WeakPolarHBondContact O-CB 3.41Å; V27-T31 PolarHBondContact O-N 2.93Å; V27-T31 PolarHBondContact O-OG1 3.48Å; V28-T31 WeakPolarHBondContact O-CB 3.34Å; V28-T31 PolarHBondContact O-N 3.36Å; G29-T31 VanDerWaalsContact C-N 3.28Å; G29-T31 PolarHBondContact O-N 3.48Å; T31-K34 PolarHBondContact O-N 3.23Å; T31-N35 PolarHBondContact O-N 3.2Å; T31-N35 PolarHBondContact O-ND2 3.21Å
32A97.7Very high96.8Very high34 Ų3446.3 Ų46.328%0.28126%0.257SS..Hα-helixtrans-62.5-46.317400000111.5V28 G29 Q30 K34 N35 F36 A210V28-A32 PolarHBondContact O-N 3.47Å; G29-A32 WeakPolarHBondContact O-CB 3.39Å; G29-A32 PolarHBondContact O-N 3.07Å; Q30-A32 VanDerWaalsContact C-N 3.32Å; A32-K34 VanDerWaalsContact C-N 3.35Å; A32-K34 PolarHBondContact O-N 2.71Å; A32-N35 CarbonylContact O-C 3.54Å; A32-N35 PolarHBondContact O-N 3.46Å; A32-N35 VanDerWaalsContact O-N 3.09Å; A32-F36 WeakPolarHBondContact O-CB 3.14Å; A32-F36 PolarHBondContact O-N 3.28Å; A32-A210 WeakPolarHBondContact CB-O 3.24Å
33L98Very high96.6Very high0 Ų042.1 Ų42.10%024%0.235CC..Hα-helixtrans-54.4-49173.3-66.9176000111.6L25 G29 Q30 N35 F36 G58 I59 G60 I207 A210L25-L33 HydrophobicContact CD1-CD1 3.9Å; L25-L33 HydrophobicContact CD1-CG 4.36Å; L25-L33 HydrophobicContact CD2-CD1 4.13Å; G29-L33 WeakPolarHBondContact O-CG 3.18Å; G29-L33 PolarHBondContact O-N 2.91Å; Q30-L33 PolarHBondContact O-N 2.75Å; L33-N35 PolarHBondContact O-N 3.11Å; L33-F36 WeakPolarHBondContact O-CB 3.39Å; L33-F36 PolarHBondContact O-N 2.65Å; L33-G58 CarbonylContact C-O 3.52Å; L33-I59 HydrophobicContact CB-CD1 4.35Å; L33-I59 HydrophobicContact CD2-CD1 3.57Å; L33-I59 CarbonylContact O-C 3.52Å; L33-I59 WeakPolarHBondContact O-CA 3.35Å; L33-G60 PolarHBondContact O-N 2.82Å; L33-I207 HydrophobicContact CD1-CG2 4.47Å; L33-I207 HydrophobicContact CD2-CB 4.4Å; L33-I207 HydrophobicContact CD2-CG1 4.43Å; L33-I207 HydrophobicContact CD2-CG2 4.12Å; L33-A210 HydrophobicContact CD2-CB 3.52Å
34K97Very high96.5Very high76 Ų7637 Ų3733%0.3320%0.204SC..Hα-helixtrans-60.6-25.3179.6-178.8173.1177.2171.20113.5F8 E12 Q30 T31 A32 G60F8-K34 HydrophobicContact CD1-CD 4.41Å; F8-K34 HydrophobicContact CE1-CD 3.85Å; E12-K34 VanDerWaalsContact CD-NZ 3.31Å; E12-K34 WeakPolarHBondContact OE1-CD 3.48Å; E12-K34 VanDerWaalsContact OE1-CE 3.25Å; E12-K34 WeakPolarHBondContact OE1-CE 3.43Å; E12-K34 IonicContact OE1-NZ 2.71Å; E12-K34 PolarHBondContact OE1-NZ 3.33Å; E12-K34 IonicContact OE2-NZ 3.14Å; E12-K34 PolarHBondContact OE2-NZ 2.83Å; E12-K34 VanDerWaalsContact OE2-NZ 3.14Å; Q30-K34 WeakPolarHBondContact O-CB 3.48Å; Q30-K34 PolarHBondContact O-N 2.97Å; T31-K34 PolarHBondContact O-N 3.23Å; A32-K34 VanDerWaalsContact C-N 3.35Å; A32-K34 PolarHBondContact O-N 2.71Å; K34-G60 WeakPolarHBondContact O-CA 3.39Å
35N97.4Very high96.4Very high117 Ų11731.8 Ų31.863%0.62618%0.184SC*.Hα-helixtrans-97.7-5.4177.3-66.7-33.1000113.2T31 A32 L33T31-N35 PolarHBondContact O-N 3.2Å; T31-N35 PolarHBondContact O-ND2 3.21Å; A32-N35 CarbonylContact O-C 3.54Å; A32-N35 PolarHBondContact O-N 3.46Å; A32-N35 VanDerWaalsContact O-N 3.09Å; L33-N35 PolarHBondContact O-N 3.11Å
36F98.5Very high96.4Very high31 Ų3131.5 Ų31.514%0.13618%0.183CC..  trans-84145.8-174.6-147.1-104.5000112.3A32 L33 V38 I59 G60 K61 D122 V123 I209 A210A32-F36 WeakPolarHBondContact O-CB 3.14Å; A32-F36 PolarHBondContact O-N 3.28Å; L33-F36 WeakPolarHBondContact O-CB 3.39Å; L33-F36 PolarHBondContact O-N 2.65Å; F36-V38 HydrophobicContact CD1-CG2 3.74Å; F36-V38 HydrophobicContact CE1-CG2 4.16Å; F36-I59 HydrophobicContact CB-CD1 4.19Å; F36-I59 HydrophobicContact CD1-CD1 4.4Å; F36-G60 PolarHBondContact O-N 3.39Å; F36-K61 PolarHBondContact O-N 3.07Å; F36-D122 HydrophobicContact CD1-CB 4.36Å; F36-D122 HydrophobicContact CD2-CB 4.3Å; F36-D122 HydrophobicContact CE1-CB 3.91Å; F36-D122 HydrophobicContact CE2-CB 3.82Å; F36-D122 HydrophobicContact CZ-CB 3.61Å; F36-V123 HydrophobicContact CE1-CB 3.94Å; F36-V123 HydrophobicContact CE1-CG2 3.5Å; F36-V123 VanDerWaalsContact CE1-CG2 3.5Å; F36-V123 HydrophobicContact CZ-CB 4.42Å; F36-V123 HydrophobicContact CZ-CG2 3.53Å; F36-I209 HydrophobicContact CZ-CG2 4.14Å; F36-A210 HydrophobicContact CB-CB 3.9Å; F36-A210 HydrophobicContact CD1-CB 3.49Å; F36-A210 VanDerWaalsContact CD1-CB 3.49Å; F36-A210 HydrophobicContact CD2-CB 3.71Å; F36-A210 HydrophobicContact CE1-CB 3.82Å; F36-A210 HydrophobicContact CE2-CB 4.03Å; F36-A210 HydrophobicContact CG-CB 3.42Å; F36-A210 VanDerWaalsContact CG-CB 3.42Å; F36-A210 HydrophobicContact CZ-CB 4.07Å
37R98.6Very high96.4Very high98 Ų9830.6 Ų30.637%0.3717%0.174SC..EExtended strand (participates in β ladder)trans-123.1123.7-178.8-50.7168.1-71.2177.3-4.5110.1K61 S120 Y121 D122 V123R37-K61 CarbonylContact C-O 3.59Å; R37-K61 WeakPolarHBondContact CA-O 3.35Å; R37-K61 HydrophobicContact CB-CB 4.15Å; R37-K61 HydrophobicContact CG-CB 3.89Å; R37-K61 HydrophobicContact CG-CD 4.5Å; R37-S120 PolarHBondContact NH1-O 3.24Å; R37-Y121 HydrophobicContact CB-CD1 3.96Å; R37-D122 VanDerWaalsContact CB-OD2 3.28Å; R37-D122 WeakPolarHBondContact CB-OD2 3.46Å; R37-D122 IonicContact CZ-OD1 3.88Å; R37-D122 IonicContact CZ-OD2 3.85Å; R37-D122 PolarHBondContact N-OD2 3.24Å; R37-D122 IonicContact NE-OD1 3.07Å; R37-D122 IonicContact NE-OD2 2.89Å; R37-D122 PolarHBondContact NE-OD2 3.32Å; R37-D122 VanDerWaalsContact NE-OD2 3.07Å; R37-D122 IonicContact NH2-OD1 3.78Å; R37-D122 PolarHBondContact NH2-OD1 3.03Å; R37-D122 IonicContact NH2-OD2 2.88Å; R37-D122 PolarHBondContact O-N 2.87Å; R37-V123 PolarHBondContact O-N 3.37Å
38V98.6Very high96.4Very high0 Ų028.1 Ų28.10%016%0.159CC..EExtended strand (participates in β ladder)trans-121.6134.6-176.2-174.30000110F36 I40 L54 I59 K61 I62 G63 Y121 V123 V206F36-V38 HydrophobicContact CD1-CG2 3.74Å; F36-V38 HydrophobicContact CE1-CG2 4.16Å; V38-I40 HydrophobicContact CG1-CG1 4.48Å; V38-L54 HydrophobicContact CB-CD1 4.34Å; V38-L54 HydrophobicContact CG1-CD1 3.83Å; V38-L54 HydrophobicContact CG2-CD1 4.5Å; V38-I59 HydrophobicContact CB-CG2 4.34Å; V38-I59 HydrophobicContact CG2-CD1 4.3Å; V38-I59 HydrophobicContact CG2-CG1 4.48Å; V38-I59 HydrophobicContact CG2-CG2 3.71Å; V38-K61 PolarHBondContact N-O 3.12Å; V38-I62 CarbonylContact O-C 3.4Å; V38-I62 WeakPolarHBondContact O-CA 3.08Å; V38-G63 PolarHBondContact O-N 3.03Å; V38-Y121 VanDerWaalsContact O-CD1 3.3Å; V38-Y121 WeakPolarHBondContact O-CD1 3.17Å; V38-Y121 WeakPolarHBondContact O-CE1 3.09Å; V38-V123 WeakPolarHBondContact CA-O 3.18Å; V38-V206 HydrophobicContact CB-CG1 4.41Å; V38-V206 HydrophobicContact CG1-CG1 4.12Å; V38-V206 HydrophobicContact CG1-CG2 4.23Å; V38-V206 HydrophobicContact CG2-CG1 3.42Å; V38-V206 VanDerWaalsContact CG2-CG1 3.42Å
39L98.5Very high96.4Very high0 Ų022.4 Ų22.40%012%0.124CC..EExtended strand (participates in β ladder)trans-102.2127.2169.4-179.365.6000109.9V41 G63 I65 Y105 I117 V118 Y121 V123 V124 C125L39-V41 HydrophobicContact CD2-CG2 4Å; L39-V41 HydrophobicContact CG-CG2 4.02Å; L39-G63 CarbonylContact C-O 3.57Å; L39-G63 WeakPolarHBondContact CA-O 3.24Å; L39-I65 HydrophobicContact CD1-CG2 4.2Å; L39-Y105 HydrophobicContact CD1-CE2 4.43Å; L39-I117 HydrophobicContact CD1-CG2 3.95Å; L39-I117 HydrophobicContact CD2-CG2 3.85Å; L39-V118 HydrophobicContact CD2-CG2 3.8Å; L39-Y121 HydrophobicContact CB-CD1 4.09Å; L39-Y121 HydrophobicContact CB-CD2 3.68Å; L39-Y121 HydrophobicContact CB-CE2 4.21Å; L39-Y121 HydrophobicContact CB-CG 3.63Å; L39-Y121 HydrophobicContact CD1-CD2 4.17Å; L39-Y121 HydrophobicContact CD1-CE2 3.85Å; L39-Y121 HydrophobicContact CD2-CD2 4.26Å; L39-Y121 HydrophobicContact CG-CD2 4.25Å; L39-Y121 HydrophobicContact CG-CE2 4.44Å; L39-V123 PolarHBondContact N-O 2.9Å; L39-V124 HydrophobicContact CB-CG1 4.29Å; L39-V124 HydrophobicContact CB-CG2 4.3Å; L39-V124 HydrophobicContact CD2-CG1 4.09Å; L39-V124 HydrophobicContact CD2-CG2 4.35Å; L39-V124 HydrophobicContact CG-CG1 4.35Å; L39-V124 CarbonylContact O-C 3.56Å; L39-V124 WeakPolarHBondContact O-CA 3.47Å; L39-C125 PolarHBondContact O-N 3.4Å
40I98Very high96.4Very high0 Ų022.3 Ų22.30%012%0.123CC..EExtended strand (participates in β ladder)trans-107.6120.2171.8-55.7175.2000107.8V38 A51 L54 I62 G63 I64 I65 C125 C127V38-I40 HydrophobicContact CG1-CG1 4.48Å; I40-A51 HydrophobicContact CD1-CB 3.5Å; I40-A51 VanDerWaalsContact CD1-CB 3.5Å; I40-L54 HydrophobicContact CD1-CD1 4.18Å; I40-I62 HydrophobicContact CD1-CG2 3.81Å; I40-I62 HydrophobicContact CG1-CG2 4.3Å; I40-G63 PolarHBondContact N-O 2.91Å; I40-I64 HydrophobicContact CB-CG1 4.37Å; I40-I64 WeakPolarHBondContact O-CA 3.22Å; I40-I65 PolarHBondContact O-N 2.84Å; I40-C125 HydrophobicContact CG1-CB 4.47Å; I40-C127 HydrophobicContact CG2-CB 4.16Å
41V97.3Very high96.4Very high5 Ų522.4 Ų22.43%0.0312%0.124CC..EExtended strand (participates in β ladder)trans-103.8108.8-179.8-178.30000108.4L39 I65 L109 V124 C125 C127 S128 T133 L137L39-V41 HydrophobicContact CD2-CG2 4Å; L39-V41 HydrophobicContact CG-CG2 4.02Å; V41-I65 HydrophobicContact CB-CG2 3.97Å; V41-I65 HydrophobicContact CG1-CG2 3.91Å; V41-I65 HydrophobicContact CG2-CG2 3.73Å; V41-L109 HydrophobicContact CG1-CB 4.29Å; V41-L109 HydrophobicContact CG1-CD2 4.05Å; V41-L109 HydrophobicContact CG2-CD2 4.41Å; V41-V124 HydrophobicContact CG2-CG1 3.97Å; V41-C125 PolarHBondContact N-O 2.84Å; V41-C127 CarbonylContact O-C 3.49Å; V41-C127 WeakPolarHBondContact O-CA 3.23Å; V41-C127 VanDerWaalsContact O-CB 3.29Å; V41-C127 WeakPolarHBondContact O-CB 3.2Å; V41-C127 PolarHBondContact O-N 2.89Å; V41-S128 PolarHBondContact O-N 3.44Å; V41-T133 HydrophobicContact CG1-CG2 3.83Å; V41-L137 HydrophobicContact CB-CD1 3.86Å; V41-L137 HydrophobicContact CG1-CD1 3.93Å; V41-L137 HydrophobicContact CG2-CD1 3.89Å; V41-L137 HydrophobicContact CG2-CD2 3.88Å; V41-L137 HydrophobicContact CG2-CG 4.47Å
42G94.5Very high96.3Very high9 Ų922.1 Ų22.19%0.09312%0.12CC..  trans97.4118.5-17000000111.6G44 G47 I65 C127G42-G44 VanDerWaalsContact C-N 3.29Å; G42-G47 WeakPolarHBondContact O-CA 3.32Å; G42-I65 PolarHBondContact N-O 3.44Å; G42-C127 WeakPolarHBondContact O-CB 3.22Å
43A94Very high96.3Very high0 Ų026.4 Ų26.40%013%0.13CC..  trans-92.819.5175.200000112.3C48 I64 D66 H81 K90 F94A43-C48 PolarHBondContact O-SG 3.28Å; A43-I64 HydrophobicContact CB-CG2 4.12Å; A43-D66 WeakPolarHBondContact CA-OD2 3.29Å; A43-D66 HydrophobicContact CB-CB 3.72Å; A43-D66 WeakPolarHBondContact CB-OD2 3.16Å; A43-D66 PolarHBondContact N-OD2 3.39Å; A43-H81 PolarHBondContact O-NE2 3.26Å; A43-K90 HydrophobicContact CB-CB 3.72Å; A43-F94 HydrophobicContact CB-CE2 3.52Å; A43-F94 HydrophobicContact CB-CZ 3.57Å
44G92.2Very high96.3Very high11 Ų1126.4 Ų26.411%0.11313%0.13CC..SBendtrans-82.1-151.2-178.200000114.8G42 L46 G47 C48G42-G44 VanDerWaalsContact C-N 3.29Å; G44-L46 PolarHBondContact O-N 2.96Å; G44-G47 PolarHBondContact O-N 2.93Å; G44-G47 VanDerWaalsContact O-N 3.17Å; G44-C48 WeakPolarHBondContact O-CB 3.28Å; G44-C48 PolarHBondContact O-N 2.98Å; G44-C48 PolarHBondContact O-SG 3.39Å; G44-C48 VanDerWaalsContact O-SG 3.4Å
45G92.9Very high96.2Very high19 Ų1922.9 Ų22.920%0.19612%0.115CC..THydrogen-bonded Turntrans-66.8-18-173.800000115.4P49 R77G45-P49 VanDerWaalsContact O-CD 3.24Å; G45-P49 WeakPolarHBondContact O-CD 3.32Å; G45-P49 WeakPolarHBondContact O-CG 3.46Å; G45-R77 WeakPolarHBondContact CA-O 3.46Å
46L95Very high96.1Very high11 Ų1120 Ų206%0.05811%0.108CC..THydrogen-bonded Turntrans-89.5-43.9169.8-64.8176.4000111.5G44 P49 C50 C127 A153 I198 G199G44-L46 PolarHBondContact O-N 2.96Å; L46-P49 WeakPolarHBondContact O-CD 3.36Å; L46-P49 WeakPolarHBondContact O-CG 3.43Å; L46-C50 VanDerWaalsContact O-CB 3.28Å; L46-C50 WeakPolarHBondContact O-CB 3.5Å; L46-C50 PolarHBondContact O-N 2.89Å; L46-C127 HydrophobicContact CB-CB 3.75Å; L46-A153 HydrophobicContact CD2-CB 4.37Å; L46-I198 HydrophobicContact CD2-CB 3.67Å; L46-I198 HydrophobicContact CD2-CG2 3.79Å; L46-G199 WeakPolarHBondContact O-CA 3.43Å
47G95.4Very high96.1Very high0 Ų019 Ų190%010%0.104CC..Hα-helixtrans-68.8-38.8-175.200000113.6G42 G44 C50 A51G42-G47 WeakPolarHBondContact O-CA 3.32Å; G44-G47 PolarHBondContact O-N 2.93Å; G44-G47 VanDerWaalsContact O-N 3.17Å; G47-C50 PolarHBondContact O-N 3.08Å; G47-A51 WeakPolarHBondContact O-CB 3.49Å; G47-A51 PolarHBondContact O-N 3.07Å
48C95.1Very high96Very high0 Ų014.4 Ų14.40%09%0.088CC..Hα-helixtrans-54.6-63.6177.7-78.30000112.4A43 G44 C50 A51 I52 I79 L80A43-C48 PolarHBondContact O-SG 3.28Å; G44-C48 WeakPolarHBondContact O-CB 3.28Å; G44-C48 PolarHBondContact O-N 2.98Å; G44-C48 PolarHBondContact O-SG 3.39Å; G44-C48 VanDerWaalsContact O-SG 3.4Å; C48-C50 VanDerWaalsContact C-N 3.29Å; C48-C50 PolarHBondContact O-N 2.86Å; C48-A51 PolarHBondContact O-N 2.87Å; C48-I52 VanDerWaalsContact O-CG1 3.29Å; C48-I52 WeakPolarHBondContact O-CG1 3.46Å; C48-I52 PolarHBondContact O-N 3.03Å; C48-I52 VanDerWaalsContact O-N 3.08Å; C48-I79 HydrophobicContact CB-CG1 4.24Å; C48-L80 HydrophobicContact CB-CB 4.02Å; C48-L80 VanDerWaalsContact SG-CB 3.52Å
49P95.8Very high95.9Very high4 Ų414.4 Ų14.43%0.0269%0.088CC..Hα-helixtrans-61.9-38179.123.7-33.5000112.1G45 L46 A51 I52 Y53G45-P49 VanDerWaalsContact O-CD 3.24Å; G45-P49 WeakPolarHBondContact O-CD 3.32Å; G45-P49 WeakPolarHBondContact O-CG 3.46Å; L46-P49 WeakPolarHBondContact O-CD 3.36Å; L46-P49 WeakPolarHBondContact O-CG 3.43Å; P49-A51 PolarHBondContact O-N 2.78Å; P49-I52 PolarHBondContact O-N 3.41Å; P49-Y53 VanDerWaalsContact O-CD2 3.25Å; P49-Y53 WeakPolarHBondContact O-CD2 3.3Å; P49-Y53 PolarHBondContact O-N 2.87Å
50C96.7Very high95.9Very high0 Ų015.1 Ų15.10%010%0.095CC..Hα-helixtrans-56.4-53.2177.1-174.40000111.2L46 G47 C48 I52 Y53 L54 G199L46-C50 VanDerWaalsContact O-CB 3.28Å; L46-C50 WeakPolarHBondContact O-CB 3.5Å; L46-C50 PolarHBondContact O-N 2.89Å; G47-C50 PolarHBondContact O-N 3.08Å; C48-C50 VanDerWaalsContact C-N 3.29Å; C48-C50 PolarHBondContact O-N 2.86Å; C50-I52 VanDerWaalsContact C-N 3.35Å; C50-I52 PolarHBondContact O-N 3.38Å; C50-Y53 PolarHBondContact O-N 2.88Å; C50-L54 VanDerWaalsContact O-CG 3.27Å; C50-L54 WeakPolarHBondContact O-CG 3.36Å; C50-L54 PolarHBondContact O-N 3.23Å; C50-G199 WeakPolarHBondContact CA-O 3.38Å; C50-G199 WeakPolarHBondContact CB-O 3.48Å
51A95.8Very high95.8Very high2 Ų218.1 Ų18.12%0.01711%0.108CC..Hα-helixtrans-65.5-36.1-178.400000113.3I40 G47 C48 P49 L54 A55 I64 F94I40-A51 HydrophobicContact CD1-CB 3.5Å; I40-A51 VanDerWaalsContact CD1-CB 3.5Å; G47-A51 WeakPolarHBondContact O-CB 3.49Å; G47-A51 PolarHBondContact O-N 3.07Å; C48-A51 PolarHBondContact O-N 2.87Å; P49-A51 PolarHBondContact O-N 2.78Å; A51-L54 PolarHBondContact O-N 2.87Å; A51-A55 VanDerWaalsContact O-CB 3.24Å; A51-A55 WeakPolarHBondContact O-CB 3.44Å; A51-A55 PolarHBondContact O-N 3.34Å; A51-I64 HydrophobicContact CB-CD1 4.3Å; A51-F94 HydrophobicContact CB-CD1 3.3Å; A51-F94 HydrophobicContact CB-CE1 3.3Å
52I95.5Very high95.9Very high48 Ų4818 Ų1825%0.24611%0.107CC..Hα-helixtrans-57.1-52.1176.7-70.3165.3000110.1C48 P49 C50 A55 A56 I79 L80 L96C48-I52 VanDerWaalsContact O-CG1 3.29Å; C48-I52 WeakPolarHBondContact O-CG1 3.46Å; C48-I52 PolarHBondContact O-N 3.03Å; C48-I52 VanDerWaalsContact O-N 3.08Å; P49-I52 PolarHBondContact O-N 3.41Å; C50-I52 VanDerWaalsContact C-N 3.35Å; C50-I52 PolarHBondContact O-N 3.38Å; I52-A55 PolarHBondContact O-N 3.36Å; I52-A56 VanDerWaalsContact O-CB 3.26Å; I52-A56 WeakPolarHBondContact O-CB 3.3Å; I52-A56 PolarHBondContact O-N 2.94Å; I52-I79 HydrophobicContact CD1-CD1 3.86Å; I52-I79 HydrophobicContact CD1-CG1 3.89Å; I52-L80 HydrophobicContact CD1-CD1 4.15Å; I52-L80 HydrophobicContact CG1-CD1 3.85Å; I52-L96 HydrophobicContact CB-CD1 4.13Å; I52-L96 HydrophobicContact CG1-CD1 3.65Å
53Y97.3Very high96Very high124 Ų12417.5 Ų17.549%0.48610%0.103SC..Hα-helixtrans-69.4-36.2-178.4-76.3-71.6000112.7P49 C50 A57 T200P49-Y53 VanDerWaalsContact O-CD2 3.25Å; P49-Y53 WeakPolarHBondContact O-CD2 3.3Å; P49-Y53 PolarHBondContact O-N 2.87Å; C50-Y53 PolarHBondContact O-N 2.88Å; Y53-A57 VanDerWaalsContact O-CB 3.24Å; Y53-A57 WeakPolarHBondContact O-CB 3.41Å; Y53-A57 PolarHBondContact O-N 3.25Å; Y53-T200 HydrophobicContact CD2-CG2 3.8Å; Y53-T200 HydrophobicContact CE2-CG2 3.56Å; Y53-T200 WeakPolarHBondContact CE2-OG1 3.37Å
54L97.6Very high96.1Very high0 Ų017.6 Ų17.60%010%0.103CC..Hα-helixtrans-67.1-42.7176.1-66.6-176.7000112.9V38 I40 C50 A51 A57 G58 I59 I62 A203 V206 I207V38-L54 HydrophobicContact CB-CD1 4.34Å; V38-L54 HydrophobicContact CG1-CD1 3.83Å; V38-L54 HydrophobicContact CG2-CD1 4.5Å; I40-L54 HydrophobicContact CD1-CD1 4.18Å; C50-L54 VanDerWaalsContact O-CG 3.27Å; C50-L54 WeakPolarHBondContact O-CG 3.36Å; C50-L54 PolarHBondContact O-N 3.23Å; A51-L54 PolarHBondContact O-N 2.87Å; L54-A57 PolarHBondContact O-N 3.14Å; L54-G58 PolarHBondContact O-N 2.99Å; L54-I59 HydrophobicContact CB-CB 4.46Å; L54-I59 HydrophobicContact CB-CG1 4.01Å; L54-I59 HydrophobicContact CD2-CG1 3.98Å; L54-I59 HydrophobicContact CG-CG1 4.5Å; L54-I59 PolarHBondContact O-N 3.43Å; L54-I59 VanDerWaalsContact O-N 3.14Å; L54-I62 HydrophobicContact CB-CD1 3.75Å; L54-A203 HydrophobicContact CD2-CB 3.86Å; L54-A203 HydrophobicContact CG-CB 3.93Å; L54-V206 HydrophobicContact CD1-CB 4.4Å; L54-V206 HydrophobicContact CD1-CG1 4.06Å; L54-V206 HydrophobicContact CD1-CG2 4.33Å; L54-V206 HydrophobicContact CD2-CB 3.71Å; L54-V206 HydrophobicContact CD2-CG1 3.5Å; L54-V206 VanDerWaalsContact CD2-CG1 3.5Å; L54-V206 HydrophobicContact CD2-CG2 4.44Å; L54-V206 HydrophobicContact CG-CG1 4.44Å; L54-I207 HydrophobicContact CD2-CD1 4.34Å; L54-I207 HydrophobicContact CD2-CG1 3.9Å
55A96.1Very high96.2Very high2 Ų217.2 Ų17.22%0.01710%0.098CC..Hα-helixtrans-65.9-43.8176.400000110.7A51 I52 A57 G58 I62 L96 N97A51-A55 VanDerWaalsContact O-CB 3.24Å; A51-A55 WeakPolarHBondContact O-CB 3.44Å; A51-A55 PolarHBondContact O-N 3.34Å; I52-A55 PolarHBondContact O-N 3.36Å; A55-A57 VanDerWaalsContact C-N 3.34Å; A55-A57 PolarHBondContact O-N 2.81Å; A55-G58 PolarHBondContact O-N 3.13Å; A55-G58 VanDerWaalsContact O-N 3.15Å; A55-I62 HydrophobicContact CB-CD1 3.92Å; A55-L96 HydrophobicContact CB-CB 3.92Å; A55-L96 HydrophobicContact CB-CD1 4.22Å; A55-N97 HydrophobicContact CB-CB 4.33Å; A55-N97 WeakPolarHBondContact O-CB 3.48Å; A55-N97 PolarHBondContact O-ND2 2.81Å
56A95.6Very high96.3Very high57 Ų5717 Ų1747%0.4719%0.093SC..Hα-helixtrans-62.7-38.8177.300000112.4Y16 I52 G58Y16-A56 WeakPolarHBondContact CE1-O 3.28Å; I52-A56 VanDerWaalsContact O-CB 3.26Å; I52-A56 WeakPolarHBondContact O-CB 3.3Å; I52-A56 PolarHBondContact O-N 2.94Å; A56-G58 PolarHBondContact O-N 2.98Å
57A96.9Very high96.1Very high8 Ų818.1 Ų18.17%0.06611%0.107CC..Hα-helixtrans-70.8-13.5176.800000113.7Q19 Q30 Y53 L54 A55 I207Q19-A57 PolarHBondContact NE2-O 3.2Å; Q30-A57 PolarHBondContact NE2-O 3.2Å; Y53-A57 VanDerWaalsContact O-CB 3.24Å; Y53-A57 WeakPolarHBondContact O-CB 3.41Å; Y53-A57 PolarHBondContact O-N 3.25Å; L54-A57 PolarHBondContact O-N 3.14Å; A55-A57 VanDerWaalsContact C-N 3.34Å; A55-A57 PolarHBondContact O-N 2.81Å; A57-I207 HydrophobicContact CB-CD1 3.65Å; A57-I207 HydrophobicContact CB-CG1 4.07Å
58G96.6Very high95.9Very high3 Ų321.5 Ų21.53%0.03113%0.125CC..THydrogen-bonded Turntrans8434.6177.400000114.3Y16 L33 L54 A55 A56 G60Y16-G58 WeakPolarHBondContact OH-CA 3.42Å; L33-G58 CarbonylContact C-O 3.52Å; L54-G58 PolarHBondContact O-N 2.99Å; A55-G58 PolarHBondContact O-N 3.13Å; A55-G58 VanDerWaalsContact O-N 3.15Å; A56-G58 PolarHBondContact O-N 2.98Å; G58-G60 PolarHBondContact O-N 2.86Å
59I97.8Very high95.7Very high0 Ų024.7 Ų24.70%014%0.144CC..  trans-56.6129.5166.6-70.4-66.5000109.6L33 F36 V38 L54 K61 I62 V100 V206 A210L33-I59 HydrophobicContact CB-CD1 4.35Å; L33-I59 HydrophobicContact CD2-CD1 3.57Å; L33-I59 CarbonylContact O-C 3.52Å; L33-I59 WeakPolarHBondContact O-CA 3.35Å; F36-I59 HydrophobicContact CB-CD1 4.19Å; F36-I59 HydrophobicContact CD1-CD1 4.4Å; V38-I59 HydrophobicContact CB-CG2 4.34Å; V38-I59 HydrophobicContact CG2-CD1 4.3Å; V38-I59 HydrophobicContact CG2-CG1 4.48Å; V38-I59 HydrophobicContact CG2-CG2 3.71Å; L54-I59 HydrophobicContact CB-CB 4.46Å; L54-I59 HydrophobicContact CB-CG1 4.01Å; L54-I59 HydrophobicContact CD2-CG1 3.98Å; L54-I59 HydrophobicContact CG-CG1 4.5Å; L54-I59 PolarHBondContact O-N 3.43Å; L54-I59 VanDerWaalsContact O-N 3.14Å; I59-K61 PolarHBondContact O-N 2.85Å; I59-I62 HydrophobicContact CB-CD1 4.36Å; I59-I62 HydrophobicContact CB-CG1 4.19Å; I59-I62 HydrophobicContact CG2-CD1 4.48Å; I59-I62 HydrophobicContact CG2-CG1 3.78Å; I59-V100 WeakPolarHBondContact O-CG1 3.49Å; I59-V100 WeakPolarHBondContact O-CG2 3.49Å; I59-V206 HydrophobicContact CD1-CG1 4.29Å; I59-A210 HydrophobicContact CD1-CB 4.06Å
60G96.9Very high95.5Very high14 Ų1424.6 Ų24.614%0.14414%0.144CC..SBendtrans-58.5-47.2-172.900000115L33 K34 F36 G58 S101L33-G60 PolarHBondContact O-N 2.82Å; K34-G60 WeakPolarHBondContact O-CA 3.39Å; F36-G60 PolarHBondContact O-N 3.39Å; G58-G60 PolarHBondContact O-N 2.86Å; G60-S101 WeakPolarHBondContact O-CB 3.05Å; G60-S101 PolarHBondContact O-N 3.06Å
61K97.7Very high95.2Very high63 Ų6327.6 Ų27.627%0.27416%0.157SC..EExtended strand (participates in β ladder)trans-134.8128.2178.5-169.1175.4-177.7174.50111.7F36 R37 V38 I59 S101 Y121F36-K61 PolarHBondContact O-N 3.07Å; R37-K61 CarbonylContact C-O 3.59Å; R37-K61 WeakPolarHBondContact CA-O 3.35Å; R37-K61 HydrophobicContact CB-CB 4.15Å; R37-K61 HydrophobicContact CG-CB 3.89Å; R37-K61 HydrophobicContact CG-CD 4.5Å; V38-K61 PolarHBondContact N-O 3.12Å; I59-K61 PolarHBondContact O-N 2.85Å; K61-S101 CarbonylContact C-O 3.58Å; K61-S101 VanDerWaalsContact CA-O 3.24Å; K61-S101 WeakPolarHBondContact CA-O 3.38Å; K61-Y121 HydrophobicContact CD-CE1 4.49Å; K61-Y121 HydrophobicContact CG-CE1 4.44Å
62I97.6Very high95Very high2 Ų234 Ų341%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-116.5115173.3-56.6177.5000108.1V38 I40 L54 A55 I59 I64 V100 S101 C102 Q103V38-I62 CarbonylContact O-C 3.4Å; V38-I62 WeakPolarHBondContact O-CA 3.08Å; I40-I62 HydrophobicContact CD1-CG2 3.81Å; I40-I62 HydrophobicContact CG1-CG2 4.3Å; L54-I62 HydrophobicContact CB-CD1 3.75Å; A55-I62 HydrophobicContact CB-CD1 3.92Å; I59-I62 HydrophobicContact CB-CD1 4.36Å; I59-I62 HydrophobicContact CB-CG1 4.19Å; I59-I62 HydrophobicContact CG2-CD1 4.48Å; I59-I62 HydrophobicContact CG2-CG1 3.78Å; I62-I64 HydrophobicContact CG2-CD1 4.04Å; I62-I64 HydrophobicContact CG2-CG1 3.84Å; I62-V100 HydrophobicContact CB-CG1 4.45Å; I62-V100 HydrophobicContact CD1-CG1 3.86Å; I62-V100 HydrophobicContact CG1-CG1 3.87Å; I62-S101 PolarHBondContact N-O 2.78Å; I62-C102 CarbonylContact O-C 2.99Å; I62-C102 WeakPolarHBondContact O-CA 3.41Å; I62-Q103 PolarHBondContact O-N 3.46Å
63G97.2Very high94.7Very high0 Ų033.4 Ų33.40%019%0.187CC..EExtended strand (participates in β ladder)trans-90.2136.9167.800000110.1V38 L39 I40 Q103 Y121V38-G63 PolarHBondContact O-N 3.03Å; L39-G63 CarbonylContact C-O 3.57Å; L39-G63 WeakPolarHBondContact CA-O 3.24Å; I40-G63 PolarHBondContact N-O 2.91Å; G63-Q103 CarbonylContact C-O 3.52Å; G63-Q103 VanDerWaalsContact CA-O 3.3Å; G63-Q103 WeakPolarHBondContact CA-O 3.46Å; G63-Y121 VanDerWaalsContact CA-OH 3.28Å; G63-Y121 WeakPolarHBondContact CA-OH 3.49Å
64I95.8Very high94.3Very high2 Ų228 Ų281%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-133.5124.5178.4-56.4-176.9000108.6I40 A43 A51 I62 A91 F94 Q103 Y105I40-I64 HydrophobicContact CB-CG1 4.37Å; I40-I64 WeakPolarHBondContact O-CA 3.22Å; A43-I64 HydrophobicContact CB-CG2 4.12Å; A51-I64 HydrophobicContact CB-CD1 4.3Å; I62-I64 HydrophobicContact CG2-CD1 4.04Å; I62-I64 HydrophobicContact CG2-CG1 3.84Å; I64-A91 HydrophobicContact CG2-CB 4.36Å; I64-F94 HydrophobicContact CD1-CB 3.3Å; I64-F94 HydrophobicContact CD1-CD1 3.04Å; I64-F94 HydrophobicContact CD1-CD2 3.55Å; I64-F94 HydrophobicContact CD1-CE1 3.6Å; I64-F94 HydrophobicContact CD1-CE2 4.05Å; I64-F94 HydrophobicContact CD1-CG 3.01Å; I64-F94 HydrophobicContact CD1-CZ 4.08Å; I64-F94 HydrophobicContact CG1-CD1 4.49Å; I64-F94 HydrophobicContact CG1-CG 4.42Å; I64-F94 HydrophobicContact CG2-CD2 4.21Å; I64-F94 HydrophobicContact CG2-CE2 4.01Å; I64-F94 HydrophobicContact CG2-CZ 4.29Å; I64-Q103 PolarHBondContact N-O 3.5Å; I64-Y105 PolarHBondContact O-N 2.87Å
65I95.8Very high94.1Very high2 Ų229.5 Ų29.51%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-119.2121.1177.2-176.6164000110.2L39 I40 V41 G42 Y105 E107 L109 I117L39-I65 HydrophobicContact CD1-CG2 4.2Å; I40-I65 PolarHBondContact O-N 2.84Å; V41-I65 HydrophobicContact CB-CG2 3.97Å; V41-I65 HydrophobicContact CG1-CG2 3.91Å; V41-I65 HydrophobicContact CG2-CG2 3.73Å; G42-I65 PolarHBondContact N-O 3.44Å; I65-Y105 WeakPolarHBondContact CA-O 3.41Å; I65-Y105 HydrophobicContact CB-CD2 4.22Å; I65-Y105 HydrophobicContact CB-CG 4.43Å; I65-E107 HydrophobicContact CD1-CG 4.27Å; I65-E107 WeakPolarHBondContact CG1-O 3.5Å; I65-L109 HydrophobicContact CD1-CB 3.99Å; I65-L109 HydrophobicContact CD1-CD1 3.84Å; I65-I117 HydrophobicContact CD1-CD1 3.76Å
66D93.7Very high93.8Very high15 Ų1534.8 Ų34.88%0.0820%0.199CC..  trans-155.8129.6173.7-159.4-50.3000109.1A43 D68 K90 A91 Y105 G106 E107A43-D66 WeakPolarHBondContact CA-OD2 3.29Å; A43-D66 HydrophobicContact CB-CB 3.72Å; A43-D66 WeakPolarHBondContact CB-OD2 3.16Å; A43-D66 PolarHBondContact N-OD2 3.39Å; D66-D68 WeakPolarHBondContact OD1-CB 3.23Å; D66-D68 PolarHBondContact OD1-N 2.9Å; D66-K90 HydrophobicContact CB-CB 4.35Å; D66-A91 HydrophobicContact CB-CB 4.32Å; D66-Y105 PolarHBondContact N-O 3.26Å; D66-Y105 VanDerWaalsContact N-O 3.09Å; D66-G106 CarbonylContact O-C 3.57Å; D66-G106 WeakPolarHBondContact O-CA 3.21Å; D66-E107 CarbonylContact C-O 3.57Å
67G91.2Very high93.6Very high34 Ų3433.8 Ų33.835%0.35118%0.183SC..  trans-95-1-179.100000114E107G67-E107 PolarHBondContact N-O 2.85Å
68D90.4Very high93.4Very high72 Ų7233.7 Ų33.739%0.38518%0.181SC..PPolyproline II helixtrans-95.2166.6-178.5-62.3-18.9000112.2D66 K90D66-D68 WeakPolarHBondContact OD1-CB 3.23Å; D66-D68 PolarHBondContact OD1-N 2.9Å; D68-K90 HydrophobicContact CB-CD 4.01Å; D68-K90 VanDerWaalsContact CB-NZ 3.29Å; D68-K90 PolarHBondContact O-N 3.16Å; D68-K90 VanDerWaalsContact O-N 3.13Å; D68-K90 IonicContact OD2-NZ 2.68Å; D68-K90 PolarHBondContact OD2-NZ 2.86Å; D68-K90 VanDerWaalsContact OD2-NZ 3.13Å
69V91.8Very high93.2Very high67 Ų6738.6 Ų38.641%0.40621%0.205SC..BIsolated β-bridgetrans-102.8160.7173.1-62.20000111.8E71 R88 K90V69-E71 PolarHBondContact O-N 3.46Å; V69-R88 CarbonylContact C-O 3.59Å; V69-R88 VanDerWaalsContact CA-O 3.26Å; V69-R88 WeakPolarHBondContact CA-O 3.27Å; V69-R88 WeakPolarHBondContact CB-O 3.18Å; V69-K90 WeakPolarHBondContact O-CE 3.2Å
70I92.5Very high93Very high2 Ų239.6 Ų39.61%0.0121%0.21CC..PPolyproline II helixtrans-69.1128.9176.5-61.6166.9000109.1L75 H81 R85 I86 G87 R88 K90I70-L75 HydrophobicContact CG2-CD2 3.93Å; I70-H81 HydrophobicContact CD1-CB 4.01Å; I70-H81 HydrophobicContact CG1-CB 4.15Å; I70-H81 HydrophobicContact CG2-CB 3.85Å; I70-R85 HydrophobicContact CD1-CB 3.78Å; I70-R85 WeakPolarHBondContact CD1-O 3.49Å; I70-I86 HydrophobicContact CG2-CG1 4.28Å; I70-G87 PolarHBondContact O-N 2.85Å; I70-R88 PolarHBondContact N-O 2.91Å; I70-K90 HydrophobicContact CG1-CG 3.98Å
71E90Very high92.8Very high62 Ų6239.4 Ų39.429%0.2921%0.206SC..  trans-124.8143.9177.1-62.3174.7-139.200109.7V69 S73 N74V69-E71 PolarHBondContact O-N 3.46Å; E71-S73 VanDerWaalsContact C-N 3.35Å; E71-S73 PolarHBondContact O-N 3.35Å; E71-N74 WeakPolarHBondContact O-CB 3.41Å; E71-N74 PolarHBondContact O-N 3.03Å
72E92.2Very high92.6Very high137 Ų13739.2 Ų39.264%0.6421%0.21SC*.G310 helixtrans-56.8-44.6-177.6-171.5176.5-177.400112.9N74 L75 I86E72-N74 PolarHBondContact O-N 3.12Å; E72-L75 WeakPolarHBondContact O-CB 3.19Å; E72-L75 PolarHBondContact O-N 3.42Å; E72-I86 HydrophobicContact CB-CD1 3.95Å; E72-I86 HydrophobicContact CG-CD1 4.31Å
73S87.6Confident92.4Very high36 Ų3646.1 Ų46.125%0.25224%0.242SC..G310 helixtrans-58.6-15.417861.40000113.8E71 H76 R77E71-S73 VanDerWaalsContact C-N 3.35Å; E71-S73 PolarHBondContact O-N 3.35Å; S73-H76 PolarHBondContact O-CE1 3.4Å; S73-H76 PolarHBondContact O-ND1 3.44Å; S73-R77 PolarHBondContact O-NH1 2.94Å
74N90.1Very high92.3Very high11 Ų1151.9 Ų51.96%0.05927%0.273CS..G310 helixtrans-96.7-14.9179.8-68.1-38.2000114E71 E72 H76 R77 Q78E71-N74 WeakPolarHBondContact O-CB 3.41Å; E71-N74 PolarHBondContact O-N 3.03Å; E72-N74 PolarHBondContact O-N 3.12Å; N74-H76 VanDerWaalsContact C-N 3.27Å; N74-H76 PolarHBondContact O-N 2.81Å; N74-R77 PolarHBondContact O-N 2.87Å; N74-R77 VanDerWaalsContact OD1-CZ 3.25Å; N74-R77 PolarHBondContact OD1-NH1 3.45Å; N74-R77 PolarHBondContact OD1-NH2 2.85Å; N74-Q78 HydrophobicContact CB-CG 4.16Å; N74-Q78 WeakPolarHBondContact O-CB 3.46Å; N74-Q78 WeakPolarHBondContact O-CG 3.37Å; N74-Q78 PolarHBondContact O-N 3.39Å
75L92Very high92.2Very high31 Ų3156.2 Ų56.216%0.16229%0.289CS..THydrogen-bonded Turntrans-64.1-28.4-172.2-65.6-179.5000113.5I70 E72 R77 H81 E83 I86I70-L75 HydrophobicContact CG2-CD2 3.93Å; E72-L75 WeakPolarHBondContact O-CB 3.19Å; E72-L75 PolarHBondContact O-N 3.42Å; L75-R77 PolarHBondContact O-N 3.06Å; L75-H81 HydrophobicContact CD2-CB 3.7Å; L75-E83 HydrophobicContact CD1-CB 4.41Å; L75-E83 HydrophobicContact CD1-CG 3.66Å; L75-I86 HydrophobicContact CD1-CD1 4.19Å; L75-I86 HydrophobicContact CD1-CG1 4.37Å
76H90.5Very high92Very high112 Ų11259.8 Ų59.852%0.51931%0.308SS..THydrogen-bonded Turntrans-62.4-17177.672.5-98.9000114.5S73 N74S73-H76 PolarHBondContact O-CE1 3.4Å; S73-H76 PolarHBondContact O-ND1 3.44Å; N74-H76 VanDerWaalsContact C-N 3.27Å; N74-H76 PolarHBondContact O-N 2.81Å
77R91.7Very high92Very high36 Ų3661.5 Ų61.514%0.13633%0.329CS..THydrogen-bonded Turntrans-128.8-16.4-179.867.9-174.2-179.3-76.44.4114.1G45 S73 N74 L75 I79 V192G45-R77 WeakPolarHBondContact CA-O 3.46Å; S73-R77 PolarHBondContact O-NH1 2.94Å; N74-R77 PolarHBondContact O-N 2.87Å; N74-R77 VanDerWaalsContact OD1-CZ 3.25Å; N74-R77 PolarHBondContact OD1-NH1 3.45Å; N74-R77 PolarHBondContact OD1-NH2 2.85Å; L75-R77 PolarHBondContact O-N 3.06Å; R77-I79 PolarHBondContact O-N 2.93Å; R77-V192 VanDerWaalsContact CD-CG1 3.42Å
78Q93.5Very high92Very high7 Ų767.2 Ų67.23%0.03334%0.34CS..  trans-100.865.1-179.5-60.2-176.94.200110N74 L80 H81N74-Q78 HydrophobicContact CB-CG 4.16Å; N74-Q78 WeakPolarHBondContact O-CB 3.46Å; N74-Q78 WeakPolarHBondContact O-CG 3.37Å; N74-Q78 PolarHBondContact O-N 3.39Å; Q78-L80 PolarHBondContact O-N 3.32Å; Q78-H81 PolarHBondContact O-N 2.92Å; Q78-H81 PolarHBondContact OE1-CD2 3.24Å
79I92.2Very high92Very high105 Ų10565.2 Ų65.254%0.53833%0.331SS..THydrogen-bonded Turntrans-62.9-4.9-166.862.1170.9000116.1C48 I52 R77C48-I79 HydrophobicContact CB-CG1 4.24Å; I52-I79 HydrophobicContact CD1-CD1 3.86Å; I52-I79 HydrophobicContact CD1-CG1 3.89Å; R77-I79 PolarHBondContact O-N 2.93Å
80L92.5Very high91.8Very high21 Ų2162.5 Ų62.511%0.1131%0.314CS..THydrogen-bonded Turntrans-86.3-21.3173-167.870.6000112.6C48 I52 Q78 F94 L96C48-L80 HydrophobicContact CB-CB 4.02Å; C48-L80 VanDerWaalsContact SG-CB 3.52Å; I52-L80 HydrophobicContact CD1-CD1 4.15Å; I52-L80 HydrophobicContact CG1-CD1 3.85Å; Q78-L80 PolarHBondContact O-N 3.32Å; L80-F94 HydrophobicContact CD2-CB 4.18Å; L80-F94 HydrophobicContact CD2-CD1 2.96Å; L80-F94 HydrophobicContact CD2-CD2 3.58Å; L80-F94 HydrophobicContact CD2-CE1 3.04Å; L80-F94 HydrophobicContact CD2-CE2 3.61Å; L80-F94 HydrophobicContact CD2-CG 3.27Å; L80-F94 HydrophobicContact CD2-CZ 3.36Å; L80-F94 HydrophobicContact CG-CD1 4.43Å; L80-F94 HydrophobicContact CG-CE1 4.46Å; L80-L96 HydrophobicContact CD1-CD1 3.7Å; L80-L96 HydrophobicContact CD1-CD2 3.71Å; L80-L96 HydrophobicContact CD1-CG 3.99Å
81H93.4Very high91.3Very high11 Ų1162.4 Ų62.45%0.05131%0.313CS..  trans-90.9153.5-179.4-54.3-35.6000110.3A43 I70 L75 Q78 K90 S93A43-H81 PolarHBondContact O-NE2 3.26Å; I70-H81 HydrophobicContact CD1-CB 4.01Å; I70-H81 HydrophobicContact CG1-CB 4.15Å; I70-H81 HydrophobicContact CG2-CB 3.85Å; L75-H81 HydrophobicContact CD2-CB 3.7Å; Q78-H81 PolarHBondContact O-N 2.92Å; Q78-H81 PolarHBondContact OE1-CD2 3.24Å; H81-K90 PolarHBondContact CE1-O 2.68Å; H81-S93 WeakPolarHBondContact ND1-CB 3.25Å; H81-S93 PolarHBondContact ND1-OG 3.07Å
82T93.1Very high90.8Very high58 Ų5864 Ų6436%0.35632%0.324SS..  trans-129.4157-176.455.10000110.1D84 R85T82-D84 VanDerWaalsContact C-N 3.26Å; T82-D84 WeakPolarHBondContact CB-OD1 3.28Å; T82-D84 PolarHBondContact O-N 2.92Å; T82-D84 PolarHBondContact OG1-OD1 3.17Å; T82-R85 PolarHBondContact O-N 3.02Å; T82-R85 WeakPolarHBondContact OG1-CD 3.35Å; T82-R85 WeakPolarHBondContact OG1-CG 3.49Å
83E94.3Very high89.9Confident147 Ų14758 Ų5869%0.68730%0.298SS*.G310 helixtrans-57.7-36.9-178.4-67.7177.1170.100112.4L75 R85 I86L75-E83 HydrophobicContact CD1-CB 4.41Å; L75-E83 HydrophobicContact CD1-CG 3.66Å; E83-R85 PolarHBondContact O-N 2.77Å; E83-R85 VanDerWaalsContact O-N 3.08Å; E83-I86 WeakPolarHBondContact O-CD1 3.21Å; E83-I86 VanDerWaalsContact O-CG1 3.31Å; E83-I86 WeakPolarHBondContact O-CG1 3.39Å; E83-I86 PolarHBondContact O-N 3.31Å
84D94.7Very high89.2Confident122 Ų12256.6 Ų56.665%0.65229%0.287SS*.G310 helixtrans-67.9-8.1178.468.8-67.1000114.2T82T82-D84 VanDerWaalsContact C-N 3.26Å; T82-D84 WeakPolarHBondContact CB-OD1 3.28Å; T82-D84 PolarHBondContact O-N 2.92Å; T82-D84 PolarHBondContact OG1-OD1 3.17Å
85R92.5Very high88.6Confident92 Ų9266.4 Ų66.435%0.34732%0.323SS..G310 helixtrans-111.14.8-177.9-63.4-176.6176.6-144.10.3114I70 T82 E83 G87 R88I70-R85 HydrophobicContact CD1-CB 3.78Å; I70-R85 WeakPolarHBondContact CD1-O 3.49Å; T82-R85 PolarHBondContact O-N 3.02Å; T82-R85 WeakPolarHBondContact OG1-CD 3.35Å; T82-R85 WeakPolarHBondContact OG1-CG 3.49Å; E83-R85 PolarHBondContact O-N 2.77Å; E83-R85 VanDerWaalsContact O-N 3.08Å; R85-G87 PolarHBondContact O-N 3.45Å; R85-R88 WeakPolarHBondContact O-CB 3.48Å; R85-R88 WeakPolarHBondContact O-CG 3.27Å; R85-R88 PolarHBondContact O-N 3.41Å
86I93.4Very high88Confident77 Ų7769 Ų6940%0.39534%0.336SS..THydrogen-bonded Turntrans-51.3136.9175-68.5166.3000110.1I70 E72 L75 E83 R88I70-I86 HydrophobicContact CG2-CG1 4.28Å; E72-I86 HydrophobicContact CB-CD1 3.95Å; E72-I86 HydrophobicContact CG-CD1 4.31Å; L75-I86 HydrophobicContact CD1-CD1 4.19Å; L75-I86 HydrophobicContact CD1-CG1 4.37Å; E83-I86 WeakPolarHBondContact O-CD1 3.21Å; E83-I86 VanDerWaalsContact O-CG1 3.31Å; E83-I86 WeakPolarHBondContact O-CG1 3.39Å; E83-I86 PolarHBondContact O-N 3.31Å; I86-R88 VanDerWaalsContact C-N 3.3Å; I86-R88 PolarHBondContact O-N 3.27Å
87G91.6Very high87.7Confident51 Ų5164.2 Ų64.253%0.52632%0.315SS..THydrogen-bonded Turntrans83.2-11.2-176.900000115.6I70 R85I70-G87 PolarHBondContact O-N 2.85Å; R85-G87 PolarHBondContact O-N 3.45Å
88R91.9Very high87.6Confident155 Ų15567.1 Ų67.159%0.58534%0.34SS*.SBendtrans-81.1162172.1-59.2-170.3-178.1-153.92.4111.4V69 I70 R85 I86 K90V69-R88 CarbonylContact C-O 3.59Å; V69-R88 VanDerWaalsContact CA-O 3.26Å; V69-R88 WeakPolarHBondContact CA-O 3.27Å; V69-R88 WeakPolarHBondContact CB-O 3.18Å; I70-R88 PolarHBondContact N-O 2.91Å; R85-R88 WeakPolarHBondContact O-CB 3.48Å; R85-R88 WeakPolarHBondContact O-CG 3.27Å; R85-R88 PolarHBondContact O-N 3.41Å; I86-R88 VanDerWaalsContact C-N 3.3Å; I86-R88 PolarHBondContact O-N 3.27Å; R88-K90 PolarHBondContact O-N 3.04Å
89S89.9Confident87.4Confident29 Ų2969.3 Ų69.320%0.20335%0.353CS..BIsolated β-bridgetrans-58.2134.4173.7179.10000110.5A91 D92S89-A91 PolarHBondContact O-N 3.37Å; S89-A91 PolarHBondContact OG-N 2.93Å; S89-D92 PolarHBondContact O-N 2.84Å
90K89.2Confident87.5Confident10 Ų1065 Ų654%0.04333%0.331CS..G310 helixtrans-58.3-37.5174-68.3-178.8-174.3158.30111.3A43 D66 D68 V69 I70 H81 R88 D92 S93 F94A43-K90 HydrophobicContact CB-CB 3.72Å; D66-K90 HydrophobicContact CB-CB 4.35Å; D68-K90 HydrophobicContact CB-CD 4.01Å; D68-K90 VanDerWaalsContact CB-NZ 3.29Å; D68-K90 PolarHBondContact O-N 3.16Å; D68-K90 VanDerWaalsContact O-N 3.13Å; D68-K90 IonicContact OD2-NZ 2.68Å; D68-K90 PolarHBondContact OD2-NZ 2.86Å; D68-K90 VanDerWaalsContact OD2-NZ 3.13Å; V69-K90 WeakPolarHBondContact O-CE 3.2Å; I70-K90 HydrophobicContact CG1-CG 3.98Å; H81-K90 PolarHBondContact CE1-O 2.68Å; R88-K90 PolarHBondContact O-N 3.04Å; K90-D92 PolarHBondContact O-N 2.8Å; K90-S93 PolarHBondContact O-N 2.81Å; K90-F94 VanDerWaalsContact O-CE2 3.28Å; K90-F94 WeakPolarHBondContact O-CE2 3.39Å
91A81.2Confident87.7Confident0 Ų067.1 Ų67.10%035%0.347CS..G310 helixtrans-69.3-17.6-170.800000113.6I64 D66 S89 S93 F94 V104I64-A91 HydrophobicContact CG2-CB 4.36Å; D66-A91 HydrophobicContact CB-CB 4.32Å; S89-A91 PolarHBondContact O-N 3.37Å; S89-A91 PolarHBondContact OG-N 2.93Å; A91-S93 PolarHBondContact O-N 3.26Å; A91-F94 WeakPolarHBondContact O-CD2 3.39Å; A91-V104 VanDerWaalsContact C-CG1 3.48Å; A91-V104 HydrophobicContact CB-CG1 3.36Å; A91-V104 WeakPolarHBondContact O-CG1 3.24Å; A91-V104 VanDerWaalsContact O-CG2 3.25Å; A91-V104 WeakPolarHBondContact O-CG2 3.19Å
92D80.1Confident87.7Confident97 Ų9767.7 Ų67.752%0.51935%0.353SS..G310 helixtrans-77.2-14.3-179.4-73.2-28.5000114.8S89 K90 F94S89-D92 PolarHBondContact O-N 2.84Å; K90-D92 PolarHBondContact O-N 2.8Å; D92-F94 VanDerWaalsContact C-N 3.27Å; D92-F94 PolarHBondContact O-N 3.19Å
93S72.8Confident87.8Confident11 Ų1168.7 Ų68.78%0.07735%0.353CS..G310 helixtrans-79.94.8-169.2-62.60000115.7H81 K90 A91H81-S93 WeakPolarHBondContact ND1-CB 3.25Å; H81-S93 PolarHBondContact ND1-OG 3.07Å; K90-S93 PolarHBondContact O-N 2.81Å; A91-S93 PolarHBondContact O-N 3.26Å
94F72.9Confident87.7Confident5 Ų563.6 Ų63.62%0.02233%0.332CS..  trans-104.917.5-158.8-71.8-97.3000117.4A43 A51 I64 L80 K90 A91 D92 L96 C102A43-F94 HydrophobicContact CB-CE2 3.52Å; A43-F94 HydrophobicContact CB-CZ 3.57Å; A51-F94 HydrophobicContact CB-CD1 3.3Å; A51-F94 HydrophobicContact CB-CE1 3.3Å; I64-F94 HydrophobicContact CD1-CB 3.3Å; I64-F94 HydrophobicContact CD1-CD1 3.04Å; I64-F94 HydrophobicContact CD1-CD2 3.55Å; I64-F94 HydrophobicContact CD1-CE1 3.6Å; I64-F94 HydrophobicContact CD1-CE2 4.05Å; I64-F94 HydrophobicContact CD1-CG 3.01Å; I64-F94 HydrophobicContact CD1-CZ 4.08Å; I64-F94 HydrophobicContact CG1-CD1 4.49Å; I64-F94 HydrophobicContact CG1-CG 4.42Å; I64-F94 HydrophobicContact CG2-CD2 4.21Å; I64-F94 HydrophobicContact CG2-CE2 4.01Å; I64-F94 HydrophobicContact CG2-CZ 4.29Å; L80-F94 HydrophobicContact CD2-CB 4.18Å; L80-F94 HydrophobicContact CD2-CD1 2.96Å; L80-F94 HydrophobicContact CD2-CD2 3.58Å; L80-F94 HydrophobicContact CD2-CE1 3.04Å; L80-F94 HydrophobicContact CD2-CE2 3.61Å; L80-F94 HydrophobicContact CD2-CG 3.27Å; L80-F94 HydrophobicContact CD2-CZ 3.36Å; L80-F94 HydrophobicContact CG-CD1 4.43Å; L80-F94 HydrophobicContact CG-CE1 4.46Å; K90-F94 VanDerWaalsContact O-CE2 3.28Å; K90-F94 WeakPolarHBondContact O-CE2 3.39Å; A91-F94 WeakPolarHBondContact O-CD2 3.39Å; D92-F94 VanDerWaalsContact C-N 3.27Å; D92-F94 PolarHBondContact O-N 3.19Å; F94-L96 PolarHBondContact O-N 2.78Å; F94-L96 VanDerWaalsContact O-N 3.07Å; F94-C102 PolarHBondContact O-SG 3.15Å
95R76.5Confident87.8Confident217 Ų21759.9 Ų59.982%0.81931%0.309SS*.  trans-8576.3175.7-68.3-172179.1-151.80.9111.8C102R95-C102 HydrophobicContact CG-CB 4.4Å
96L80.8Confident87.7Confident85 Ų8558.1 Ų58.145%0.44532%0.319SS..  trans-94-29.3-174.8-67.1174000115.1I52 A55 L80 F94I52-L96 HydrophobicContact CB-CD1 4.13Å; I52-L96 HydrophobicContact CG1-CD1 3.65Å; A55-L96 HydrophobicContact CB-CB 3.92Å; A55-L96 HydrophobicContact CB-CD1 4.22Å; L80-L96 HydrophobicContact CD1-CD1 3.7Å; L80-L96 HydrophobicContact CD1-CD2 3.71Å; L80-L96 HydrophobicContact CD1-CG 3.99Å; F94-L96 PolarHBondContact O-N 2.78Å; F94-L96 VanDerWaalsContact O-N 3.07Å
97N83.7Confident87.7Confident12 Ų1258.9 Ų58.96%0.06432%0.321CS..  trans-131.7117.8-176.7179.5-18.1000109R15 Y16 A55 N99 V100R15-N97 PolarHBondContact NH1-OD1 2.73Å; Y16-N97 PolarHBondContact OH-ND2 3.07Å; A55-N97 HydrophobicContact CB-CB 4.33Å; A55-N97 WeakPolarHBondContact O-CB 3.48Å; A55-N97 PolarHBondContact O-ND2 2.81Å; N97-N99 PolarHBondContact O-N 3.37Å; N97-N99 VanDerWaalsContact O-N 3.08Å; N97-N99 WeakPolarHBondContact OD1-CB 3.36Å; N97-N99 PolarHBondContact OD1-N 2.95Å; N97-V100 HydrophobicContact CB-CB 4.18Å; N97-V100 HydrophobicContact CB-CG2 3.73Å; N97-V100 WeakPolarHBondContact O-CB 3.24Å; N97-V100 PolarHBondContact O-N 3.09Å
98S88.8Confident87.7Confident97 Ų9762 Ų6268%0.67832%0.32SS*.THydrogen-bonded Turntrans-59-20.3-178.657.50000114.5R15 V100R15-S98 PolarHBondContact NH1-OG 3.49Å; S98-V100 VanDerWaalsContact C-N 3.34Å
99N90.9Very high87.8Confident54 Ų5455.3 Ų55.329%0.28930%0.296SS..THydrogen-bonded Turntrans-89.7-1.6178.7-59.6-24.5000112.6R15 N97R15-N99 PolarHBondContact NH1-ND2 3.45Å; N97-N99 PolarHBondContact O-N 3.37Å; N97-N99 VanDerWaalsContact O-N 3.08Å; N97-N99 WeakPolarHBondContact OD1-CB 3.36Å; N97-N99 PolarHBondContact OD1-N 2.95Å
100V94.2Very high87.9Confident14 Ų1456 Ų569%0.08530%0.299CS..SBendtrans-108.4127.2-177.3174.10000109.7I59 I62 N97 S98 C102I59-V100 WeakPolarHBondContact O-CG1 3.49Å; I59-V100 WeakPolarHBondContact O-CG2 3.49Å; I62-V100 HydrophobicContact CB-CG1 4.45Å; I62-V100 HydrophobicContact CD1-CG1 3.86Å; I62-V100 HydrophobicContact CG1-CG1 3.87Å; N97-V100 HydrophobicContact CB-CB 4.18Å; N97-V100 HydrophobicContact CB-CG2 3.73Å; N97-V100 WeakPolarHBondContact O-CB 3.24Å; N97-V100 PolarHBondContact O-N 3.09Å; S98-V100 VanDerWaalsContact C-N 3.34Å; V100-C102 PolarHBondContact O-N 2.95Å
101S95.2Very high88.1Confident65 Ų6556.3 Ų56.346%0.45530%0.303SS..EExtended strand (participates in β ladder)trans-77.2114.8173.4-177.50000109.8G60 K61 I62G60-S101 WeakPolarHBondContact O-CB 3.05Å; G60-S101 PolarHBondContact O-N 3.06Å; K61-S101 CarbonylContact C-O 3.58Å; K61-S101 VanDerWaalsContact CA-O 3.24Å; K61-S101 WeakPolarHBondContact CA-O 3.38Å; I62-S101 PolarHBondContact N-O 2.78Å
102C94Very high88.7Confident24 Ų2463.1 Ų63.116%0.16234%0.339CS..EExtended strand (participates in β ladder)trans-101.6122.4174.9-64.10000110.7I62 F94 R95 V100I62-C102 CarbonylContact O-C 2.99Å; I62-C102 WeakPolarHBondContact O-CA 3.41Å; F94-C102 PolarHBondContact O-SG 3.15Å; R95-C102 HydrophobicContact CG-CB 4.4Å; V100-C102 PolarHBondContact O-N 2.95Å
103Q94.7Very high89.4Confident79 Ų7959.6 Ų59.637%0.36932%0.32SS..EExtended strand (participates in β ladder)trans-107.9122.8171.1177.663.851.500109.3I62 G63 I64 Y105I62-Q103 PolarHBondContact O-N 3.46Å; G63-Q103 CarbonylContact C-O 3.52Å; G63-Q103 VanDerWaalsContact CA-O 3.3Å; G63-Q103 WeakPolarHBondContact CA-O 3.46Å; I64-Q103 PolarHBondContact N-O 3.5Å; Q103-Y105 HydrophobicContact CB-CE2 4.43Å; Q103-Y105 HydrophobicContact CG-CD2 4.33Å; Q103-Y105 HydrophobicContact CG-CE1 4.16Å; Q103-Y105 HydrophobicContact CG-CE2 3.59Å; Q103-Y105 VanDerWaalsContact CG-CZ 3.48Å; Q103-Y105 WeakPolarHBondContact CG-OH 3.27Å
104V93.6Very high90.5Very high39 Ų3959 Ų5924%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-103.6135.4-177.9-179.70000109.3A91A91-V104 VanDerWaalsContact C-CG1 3.48Å; A91-V104 HydrophobicContact CB-CG1 3.36Å; A91-V104 WeakPolarHBondContact O-CG1 3.24Å; A91-V104 VanDerWaalsContact O-CG2 3.25Å; A91-V104 WeakPolarHBondContact O-CG2 3.19Å
105Y94.9Very high91.6Very high45 Ų4562.7 Ų62.718%0.17634%0.336CS..EExtended strand (participates in β ladder)trans-12398169.2-53.8-88.1000107.8L39 I64 I65 D66 Q103 E107 I117 Y121L39-Y105 HydrophobicContact CD1-CE2 4.43Å; I64-Y105 PolarHBondContact O-N 2.87Å; I65-Y105 WeakPolarHBondContact CA-O 3.41Å; I65-Y105 HydrophobicContact CB-CD2 4.22Å; I65-Y105 HydrophobicContact CB-CG 4.43Å; D66-Y105 PolarHBondContact N-O 3.26Å; D66-Y105 VanDerWaalsContact N-O 3.09Å; Q103-Y105 HydrophobicContact CB-CE2 4.43Å; Q103-Y105 HydrophobicContact CG-CD2 4.33Å; Q103-Y105 HydrophobicContact CG-CE1 4.16Å; Q103-Y105 HydrophobicContact CG-CE2 3.59Å; Q103-Y105 VanDerWaalsContact CG-CZ 3.48Å; Q103-Y105 WeakPolarHBondContact CG-OH 3.27Å; Y105-E107 PolarHBondContact O-N 3.31Å; Y105-I117 HydrophobicContact CD1-CD1 4.11Å; Y105-I117 HydrophobicContact CD2-CG2 4.43Å; Y105-I117 HydrophobicContact CE1-CD1 4.33Å; Y105-I117 HydrophobicContact CE1-CG1 4.25Å; Y105-I117 HydrophobicContact CE2-CG2 4.01Å; Y105-I117 HydrophobicContact CG-CD1 4.43Å; Y105-Y121 HydrophobicContact CE2-CE2 4.37Å; Y105-Y121 VanDerWaalsContact CE2-OH 3.32Å; Y105-Y121 WeakPolarHBondContact CE2-OH 3.31Å; Y105-Y121 PolarHBondContact OH-OH 3.45Å; Y105-Y121 VanDerWaalsContact OH-OH 3.07Å
106G92.2Very high92.5Very high54 Ų5456.3 Ų56.356%0.55733%0.325SS*.  trans-76.337.5177.800000113.4D66D66-G106 CarbonylContact O-C 3.57Å; D66-G106 WeakPolarHBondContact O-CA 3.21Å
107E92.8Very high93.4Very high93 Ų9352.8 Ų52.844%0.43531%0.306SS..SBendtrans-133.6164.3-17760.3174.2-163.800110.6I65 D66 G67 Y105 N113I65-E107 HydrophobicContact CD1-CG 4.27Å; I65-E107 WeakPolarHBondContact CG1-O 3.5Å; D66-E107 CarbonylContact C-O 3.57Å; G67-E107 PolarHBondContact N-O 2.85Å; Y105-E107 PolarHBondContact O-N 3.31Å; E107-N113 PolarHBondContact OE1-ND2 2.91Å
108K91.6Very high94Very high117 Ų11752.2 Ų52.251%0.50930%0.303SS..  trans-77.1147173.7-67.5-173.9179.9179.10110.6T110 N113K108-T110 HydrophobicContact CB-CG2 4.45Å; K108-T110 PolarHBondContact O-N 3.01Å; K108-N113 PolarHBondContact O-ND2 2.77Å
109L93.6Very high94.4Very high15 Ų1551 Ų518%0.07929%0.294CS..  trans-73.6121.2167.7-167.780.5000109.2V41 I65 A114 T133 L136 L137V41-L109 HydrophobicContact CG1-CB 4.29Å; V41-L109 HydrophobicContact CG1-CD2 4.05Å; V41-L109 HydrophobicContact CG2-CD2 4.41Å; I65-L109 HydrophobicContact CD1-CB 3.99Å; I65-L109 HydrophobicContact CD1-CD1 3.84Å; L109-A114 HydrophobicContact CD1-CB 3.82Å; L109-A114 HydrophobicContact CD2-CB 4.27Å; L109-A114 HydrophobicContact CG-CB 3.91Å; L109-T133 HydrophobicContact CD2-CG2 4.22Å; L109-L136 HydrophobicContact CD2-CD2 4.07Å; L109-L136 HydrophobicContact CD2-CG 4.45Å; L109-L136 HydrophobicContact CG-CD2 4.06Å; L109-L137 HydrophobicContact CD2-CD1 4.44Å; L109-L137 HydrophobicContact CD2-CD2 3.34Å; L109-L137 HydrophobicContact CD2-CG 3.7Å
110T92.8Very high94.8Very high43 Ų4350.7 Ų50.726%0.26430%0.297SS..  trans-126.8170.5-177.666.80000110.7K108 D112 N113 A114K108-T110 HydrophobicContact CB-CG2 4.45Å; K108-T110 PolarHBondContact O-N 3.01Å; T110-D112 PolarHBondContact O-N 3.49Å; T110-D112 VanDerWaalsContact O-N 3.12Å; T110-D112 PolarHBondContact OG1-N 2.9Å; T110-N113 PolarHBondContact N-OD1 3.1Å; T110-N113 PolarHBondContact O-OD1 3.25Å; T110-N113 VanDerWaalsContact O-OD1 3.13Å; T110-N113 PolarHBondContact OG1-OD1 3.1Å; T110-A114 WeakPolarHBondContact O-CB 3.35Å; T110-A114 PolarHBondContact O-N 3.49Å
111S92.2Very high95Very high17 Ų1750 Ų5012%0.11929%0.293CS..THydrogen-bonded Turntrans-55-28.3172.849.90000113.2P255S111-P255 WeakPolarHBondContact O-CB 3.4Å
112D93.5Very high95.1Very high142 Ų14249.2 Ų49.276%0.75928%0.283SS*.THydrogen-bonded Turntrans-86.1-34.1-167.5-55.4-11000111.3T110T110-D112 PolarHBondContact O-N 3.49Å; T110-D112 VanDerWaalsContact O-N 3.12Å; T110-D112 PolarHBondContact OG1-N 2.9Å
113N95.7Very high95.3Very high23 Ų2348.1 Ų48.112%0.12328%0.276CS..THydrogen-bonded Turntrans-100.4-22179.367.78.3000114.1E107 K108 T110 L115 S116 I117E107-N113 PolarHBondContact OE1-ND2 2.91Å; K108-N113 PolarHBondContact O-ND2 2.77Å; T110-N113 PolarHBondContact N-OD1 3.1Å; T110-N113 PolarHBondContact O-OD1 3.25Å; T110-N113 VanDerWaalsContact O-OD1 3.13Å; T110-N113 PolarHBondContact OG1-OD1 3.1Å; N113-L115 PolarHBondContact O-N 3.41Å; N113-S116 PolarHBondContact O-N 2.97Å; N113-I117 HydrophobicContact CB-CD1 3.91Å; N113-I117 HydrophobicContact CB-CG1 4.46Å; N113-I117 WeakPolarHBondContact O-CG1 3.5Å; N113-I117 PolarHBondContact O-N 3.22Å; N113-I117 VanDerWaalsContact O-N 3.07Å
114A96.5Very high95.5Very high0 Ų044.4 Ų44.40%026%0.258CS..Hα-helixtrans-60.4-42.8-165.100000114.2L109 T110 S116 I117 V118 L136 V140L109-A114 HydrophobicContact CD1-CB 3.82Å; L109-A114 HydrophobicContact CD2-CB 4.27Å; L109-A114 HydrophobicContact CG-CB 3.91Å; T110-A114 WeakPolarHBondContact O-CB 3.35Å; T110-A114 PolarHBondContact O-N 3.49Å; A114-S116 PolarHBondContact O-N 2.91Å; A114-I117 PolarHBondContact O-N 3.39Å; A114-V118 VanDerWaalsContact O-CB 3.22Å; A114-V118 WeakPolarHBondContact O-CB 3.37Å; A114-V118 VanDerWaalsContact O-CG2 3.24Å; A114-V118 WeakPolarHBondContact O-CG2 3.37Å; A114-V118 PolarHBondContact O-N 3.24Å; A114-L136 HydrophobicContact CB-CD1 4.13Å; A114-L136 HydrophobicContact CB-CD2 4.15Å; A114-L136 HydrophobicContact CB-CG 4.17Å; A114-V140 HydrophobicContact CB-CG1 4.46Å; A114-V140 HydrophobicContact CB-CG2 3.76Å
115L95.3Very high95.7Very high81 Ų8142.5 Ų42.542%0.42425%0.247SC..Hα-helixtrans-63.5-44.4-178.2-158.696.6000111.4N113 S119 V140 I143 P255N113-L115 PolarHBondContact O-N 3.41Å; L115-S119 VanDerWaalsContact O-CB 3.27Å; L115-S119 WeakPolarHBondContact O-CB 3.35Å; L115-S119 PolarHBondContact O-N 3.22Å; L115-S119 PolarHBondContact O-OG 2.83Å; L115-V140 HydrophobicContact CD1-CG1 4.42Å; L115-I143 HydrophobicContact CD1-CG2 4.05Å; L115-P255 HydrophobicContact CB-CG 4.26Å; L115-P255 HydrophobicContact CD1-CG 4.25Å
116S96.2Very high95.9Very high84 Ų8440.4 Ų40.459%0.58724%0.238SC*.Hα-helixtrans-61.7-51.7179.1-179.80000110.8N113 A114 S119N113-S116 PolarHBondContact O-N 2.97Å; A114-S116 PolarHBondContact O-N 2.91Å; S116-S119 PolarHBondContact O-N 3.39Å; S116-S119 PolarHBondContact O-OG 2.94Å
117I97.9Very high96.1Very high10 Ų1038 Ų385%0.05121%0.214CC..Hα-helixtrans-63.6-53.3-177.8-63.2176.9000110.4L39 I65 Y105 N113 A114 S119 S120 Y121L39-I117 HydrophobicContact CD1-CG2 3.95Å; L39-I117 HydrophobicContact CD2-CG2 3.85Å; I65-I117 HydrophobicContact CD1-CD1 3.76Å; Y105-I117 HydrophobicContact CD1-CD1 4.11Å; Y105-I117 HydrophobicContact CD2-CG2 4.43Å; Y105-I117 HydrophobicContact CE1-CD1 4.33Å; Y105-I117 HydrophobicContact CE1-CG1 4.25Å; Y105-I117 HydrophobicContact CE2-CG2 4.01Å; Y105-I117 HydrophobicContact CG-CD1 4.43Å; N113-I117 HydrophobicContact CB-CD1 3.91Å; N113-I117 HydrophobicContact CB-CG1 4.46Å; N113-I117 WeakPolarHBondContact O-CG1 3.5Å; N113-I117 PolarHBondContact O-N 3.22Å; N113-I117 VanDerWaalsContact O-N 3.07Å; A114-I117 PolarHBondContact O-N 3.39Å; I117-S119 VanDerWaalsContact C-N 3.27Å; I117-S119 PolarHBondContact O-N 3.28Å; I117-S120 WeakPolarHBondContact O-CB 3.32Å; I117-S120 PolarHBondContact O-N 3.05Å; I117-Y121 HydrophobicContact CG2-CE2 4.24Å; I117-Y121 WeakPolarHBondContact O-CD2 3.38Å; I117-Y121 WeakPolarHBondContact O-CE2 3.41Å
118V97.9Very high95.9Very high1 Ų134.7 Ų34.71%0.00620%0.201CC..Hα-helixtrans-61.1-34.6-176.8168.30000112.2L39 A114 S120 Y121 V124 L137 V140 K146L39-V118 HydrophobicContact CD2-CG2 3.8Å; A114-V118 VanDerWaalsContact O-CB 3.22Å; A114-V118 WeakPolarHBondContact O-CB 3.37Å; A114-V118 VanDerWaalsContact O-CG2 3.24Å; A114-V118 WeakPolarHBondContact O-CG2 3.37Å; A114-V118 PolarHBondContact O-N 3.24Å; V118-S120 PolarHBondContact O-N 3.05Å; V118-S120 VanDerWaalsContact O-N 3.13Å; V118-Y121 PolarHBondContact O-N 3.44Å; V118-V124 HydrophobicContact CG1-CG2 3.76Å; V118-V124 HydrophobicContact CG2-CG2 4.3Å; V118-L137 HydrophobicContact CG2-CD2 4.26Å; V118-V140 HydrophobicContact CB-CG1 3.64Å; V118-V140 HydrophobicContact CG1-CG1 3.79Å; V118-V140 HydrophobicContact CG2-CG1 3.75Å; V118-K146 HydrophobicContact CG1-CB 4.38Å; V118-K146 HydrophobicContact CG1-CG 3.75Å; V118-K146 WeakPolarHBondContact O-CE 3.22Å
119S97.1Very high95.3Very high70 Ų7031 Ų3149%0.4919%0.186SC..Hα-helixtrans-58.9-28.1-179.4740000113.6L115 S116 I117 Y121 K146L115-S119 VanDerWaalsContact O-CB 3.27Å; L115-S119 WeakPolarHBondContact O-CB 3.35Å; L115-S119 PolarHBondContact O-N 3.22Å; L115-S119 PolarHBondContact O-OG 2.83Å; S116-S119 PolarHBondContact O-N 3.39Å; S116-S119 PolarHBondContact O-OG 2.94Å; I117-S119 VanDerWaalsContact C-N 3.27Å; I117-S119 PolarHBondContact O-N 3.28Å; S119-Y121 VanDerWaalsContact C-N 3.29Å; S119-Y121 PolarHBondContact O-N 3.08Å; S119-K146 PolarHBondContact O-NZ 3.4Å
120S97.8Very high94.6Very high49 Ų4933 Ų3334%0.34320%0.197SC..THydrogen-bonded Turntrans-78.6-5.1-175.4-64.60000115R37 I117 V118R37-S120 PolarHBondContact NH1-O 3.24Å; I117-S120 WeakPolarHBondContact O-CB 3.32Å; I117-S120 PolarHBondContact O-N 3.05Å; V118-S120 PolarHBondContact O-N 3.05Å; V118-S120 VanDerWaalsContact O-N 3.13Å
121Y98.6Very high94.1Very high0 Ų031.7 Ų31.70%019%0.191CC..  trans-123155.5-175-60.2-88.1000111.7R37 V38 L39 K61 G63 Y105 I117 V118 S119 K146R37-Y121 HydrophobicContact CB-CD1 3.96Å; V38-Y121 VanDerWaalsContact O-CD1 3.3Å; V38-Y121 WeakPolarHBondContact O-CD1 3.17Å; V38-Y121 WeakPolarHBondContact O-CE1 3.09Å; L39-Y121 HydrophobicContact CB-CD1 4.09Å; L39-Y121 HydrophobicContact CB-CD2 3.68Å; L39-Y121 HydrophobicContact CB-CE2 4.21Å; L39-Y121 HydrophobicContact CB-CG 3.63Å; L39-Y121 HydrophobicContact CD1-CD2 4.17Å; L39-Y121 HydrophobicContact CD1-CE2 3.85Å; L39-Y121 HydrophobicContact CD2-CD2 4.26Å; L39-Y121 HydrophobicContact CG-CD2 4.25Å; L39-Y121 HydrophobicContact CG-CE2 4.44Å; K61-Y121 HydrophobicContact CD-CE1 4.49Å; K61-Y121 HydrophobicContact CG-CE1 4.44Å; G63-Y121 VanDerWaalsContact CA-OH 3.28Å; G63-Y121 WeakPolarHBondContact CA-OH 3.49Å; Y105-Y121 HydrophobicContact CE2-CE2 4.37Å; Y105-Y121 VanDerWaalsContact CE2-OH 3.32Å; Y105-Y121 WeakPolarHBondContact CE2-OH 3.31Å; Y105-Y121 PolarHBondContact OH-OH 3.45Å; Y105-Y121 VanDerWaalsContact OH-OH 3.07Å; I117-Y121 HydrophobicContact CG2-CE2 4.24Å; I117-Y121 WeakPolarHBondContact O-CD2 3.38Å; I117-Y121 WeakPolarHBondContact O-CE2 3.41Å; V118-Y121 PolarHBondContact O-N 3.44Å; S119-Y121 VanDerWaalsContact C-N 3.29Å; S119-Y121 PolarHBondContact O-N 3.08Å; Y121-K146 WeakPolarHBondContact O-CD 3.32Å; Y121-K146 VanDerWaalsContact O-CE 3.26Å; Y121-K146 WeakPolarHBondContact O-CE 3.36Å; Y121-K146 PolarHBondContact O-NZ 3.05Å
122D98.2Very high93.8Very high48 Ų4832.7 Ų32.726%0.25720%0.197SC..SBendtrans-86.1-38-177.2-54.1-56.4000111.1F36 R37F36-D122 HydrophobicContact CD1-CB 4.36Å; F36-D122 HydrophobicContact CD2-CB 4.3Å; F36-D122 HydrophobicContact CE1-CB 3.91Å; F36-D122 HydrophobicContact CE2-CB 3.82Å; F36-D122 HydrophobicContact CZ-CB 3.61Å; R37-D122 VanDerWaalsContact CB-OD2 3.28Å; R37-D122 WeakPolarHBondContact CB-OD2 3.46Å; R37-D122 IonicContact CZ-OD1 3.88Å; R37-D122 IonicContact CZ-OD2 3.85Å; R37-D122 PolarHBondContact N-OD2 3.24Å; R37-D122 IonicContact NE-OD1 3.07Å; R37-D122 IonicContact NE-OD2 2.89Å; R37-D122 PolarHBondContact NE-OD2 3.32Å; R37-D122 VanDerWaalsContact NE-OD2 3.07Å; R37-D122 IonicContact NH2-OD1 3.78Å; R37-D122 PolarHBondContact NH2-OD1 3.03Å; R37-D122 IonicContact NH2-OD2 2.88Å; R37-D122 PolarHBondContact O-N 2.87Å
123V98.4Very high93.7Very high1 Ų127 Ų271%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-132.5147.2176.1173.30000110F36 R37 V38 L39 V147 I149 V206 I209F36-V123 HydrophobicContact CE1-CB 3.94Å; F36-V123 HydrophobicContact CE1-CG2 3.5Å; F36-V123 VanDerWaalsContact CE1-CG2 3.5Å; F36-V123 HydrophobicContact CZ-CB 4.42Å; F36-V123 HydrophobicContact CZ-CG2 3.53Å; R37-V123 PolarHBondContact O-N 3.37Å; V38-V123 WeakPolarHBondContact CA-O 3.18Å; L39-V123 PolarHBondContact N-O 2.9Å; V123-V147 HydrophobicContact CG1-CG1 4.48Å; V123-V147 HydrophobicContact CG2-CB 4.11Å; V123-V147 HydrophobicContact CG2-CG1 4.49Å; V123-I149 HydrophobicContact CG1-CD1 3.75Å; V123-I149 HydrophobicContact CG1-CG1 4.23Å; V123-V206 HydrophobicContact CG1-CG2 4.11Å; V123-I209 HydrophobicContact CG2-CG2 3.84Å
124V98.7Very high93.5Very high0 Ų027.3 Ų27.30%017%0.167CC..EExtended strand (participates in β ladder)trans-116.4134.9173.6-172.50000110.4L39 V41 V118 L137 V147 L148 I149L39-V124 HydrophobicContact CB-CG1 4.29Å; L39-V124 HydrophobicContact CB-CG2 4.3Å; L39-V124 HydrophobicContact CD2-CG1 4.09Å; L39-V124 HydrophobicContact CD2-CG2 4.35Å; L39-V124 HydrophobicContact CG-CG1 4.35Å; L39-V124 CarbonylContact O-C 3.56Å; L39-V124 WeakPolarHBondContact O-CA 3.47Å; V41-V124 HydrophobicContact CG2-CG1 3.97Å; V118-V124 HydrophobicContact CG1-CG2 3.76Å; V118-V124 HydrophobicContact CG2-CG2 4.3Å; V124-L137 HydrophobicContact CG1-CD2 3.98Å; V124-V147 PolarHBondContact N-O 2.68Å; V124-L148 HydrophobicContact CB-CD1 4.07Å; V124-L148 HydrophobicContact CG1-CD1 4.05Å; V124-L148 CarbonylContact O-C 3.55Å; V124-L148 WeakPolarHBondContact O-CA 3.25Å; V124-I149 PolarHBondContact O-N 2.62Å
125C98.6Very high93.4Very high0 Ų027.5 Ų27.50%017%0.167CC..EExtended strand (participates in β ladder)trans-103.9116.1169.6-65.30000109.3L39 I40 V41 C127 I149 V206L39-C125 PolarHBondContact O-N 3.4Å; I40-C125 HydrophobicContact CG1-CB 4.47Å; V41-C125 PolarHBondContact N-O 2.84Å; C125-C127 PolarHBondContact O-N 3.48Å; C125-I149 WeakPolarHBondContact CA-O 3.22Å; C125-V206 WeakPolarHBondContact SG-CG2 3.44Å
126D97.9Very high93.3Very high0 Ų023.9 Ų23.90%015%0.149CC..EExtended strand (participates in β ladder)trans-79.4104.8166.8166.730.8000108.4S128 R134 L137 L148 I149 S150 G151 Q202D126-S128 WeakPolarHBondContact OD1-CB 3.36Å; D126-S128 PolarHBondContact OD1-N 2.94Å; D126-S128 VanDerWaalsContact OD1-N 3.14Å; D126-S128 PolarHBondContact OD1-OG 2.55Å; D126-R134 WeakPolarHBondContact OD2-CG 3.3Å; D126-R134 IonicContact OD2-CZ 3.13Å; D126-R134 IonicContact OD2-NE 3.39Å; D126-R134 PolarHBondContact OD2-NE 3.04Å; D126-L137 HydrophobicContact CB-CD1 3.63Å; D126-L148 HydrophobicContact CB-CD1 3.93Å; D126-I149 PolarHBondContact N-O 3.14Å; D126-S150 PolarHBondContact OD2-OG 3.43Å; D126-G151 PolarHBondContact O-N 3.22Å; D126-G151 VanDerWaalsContact O-N 3.13Å; D126-Q202 PolarHBondContact O-NE2 3.34Å
127C96.3Very high93.4Very high5 Ų519.9 Ų19.93%0.03412%0.121CC..  trans-117.718.2175.4-62.10000110.8I40 V41 G42 L46 C125 Q202I40-C127 HydrophobicContact CG2-CB 4.16Å; V41-C127 CarbonylContact O-C 3.49Å; V41-C127 WeakPolarHBondContact O-CA 3.23Å; V41-C127 VanDerWaalsContact O-CB 3.29Å; V41-C127 WeakPolarHBondContact O-CB 3.2Å; V41-C127 PolarHBondContact O-N 2.89Å; G42-C127 WeakPolarHBondContact O-CB 3.22Å; L46-C127 HydrophobicContact CB-CB 3.75Å; C125-C127 PolarHBondContact O-N 3.48Å; C127-Q202 PolarHBondContact SG-OE1 3.04Å
128S89.7Confident93.3Very high23 Ų2319.5 Ų19.516%0.16112%0.118CC..  trans-80.3-21.8-169.269.60000113.8V41 D126 N130 T133V41-S128 PolarHBondContact O-N 3.44Å; D126-S128 WeakPolarHBondContact OD1-CB 3.36Å; D126-S128 PolarHBondContact OD1-N 2.94Å; D126-S128 VanDerWaalsContact OD1-N 3.14Å; D126-S128 PolarHBondContact OD1-OG 2.55Å; S128-N130 PolarHBondContact O-N 2.76Å; S128-N130 PolarHBondContact O-ND2 2.83Å; S128-T133 WeakPolarHBondContact OG-CB 3.17Å
129D77.6Confident93.2Very high38 Ų3819.4 Ų19.420%0.20312%0.118CC..  trans47.431.4-177.1-160.955.1000115.3C187D129-C187 WeakPolarHBondContact OD2-CB 3.45Å; D129-C187 PolarHBondContact OD2-SG 3Å
130N79.6Confident93.2Very high58 Ų5816.2 Ų16.231%0.3110%0.095SC..SBendtrans-135.7142.8172.772.483.6000111.7S128 T133 R134S128-N130 PolarHBondContact O-N 2.76Å; S128-N130 PolarHBondContact O-ND2 2.83Å; N130-T133 VanDerWaalsContact CG-OG1 3.3Å; N130-T133 PolarHBondContact ND2-OG1 3.44Å; N130-T133 VanDerWaalsContact ND2-OG1 3.11Å; N130-T133 WeakPolarHBondContact OD1-CB 3.5Å; N130-T133 PolarHBondContact OD1-N 2.89Å; N130-T133 PolarHBondContact OD1-OG1 3.33Å; N130-R134 PolarHBondContact O-N 3.23Å; N130-R134 VanDerWaalsContact O-N 3.16Å
131A82.3Confident93.3Very high16 Ų1614 Ų1413%0.1328%0.08CC..Hα-helixtrans-62.5-46.3-174.300000113.4T133 R134 Y135 V184A131-T133 PolarHBondContact O-N 2.88Å; A131-R134 WeakPolarHBondContact O-CB 3.23Å; A131-R134 PolarHBondContact O-N 3.32Å; A131-R134 VanDerWaalsContact O-N 3.12Å; A131-Y135 VanDerWaalsContact O-CD2 3.28Å; A131-Y135 WeakPolarHBondContact O-CD2 3.32Å; A131-Y135 PolarHBondContact O-N 3.47Å; A131-V184 HydrophobicContact CB-CG1 3.76Å; A131-V184 HydrophobicContact CB-CG2 4.13Å
132P85.8Confident93.2Very high38 Ų3815 Ų1525%0.2479%0.086CC..Hα-helixtrans-54.5-47.9179.7-28.537.3000113.2R134 Y135 L136P132-R134 VanDerWaalsContact C-N 3.32Å; P132-R134 PolarHBondContact O-N 3.45Å; P132-Y135 PolarHBondContact O-N 3.45Å; P132-L136 PolarHBondContact O-N 3.21Å
133T90.7Very high93.1Very high23 Ų2315.5 Ų15.514%0.1419%0.088CC..Hα-helixtrans-65.1-37.3179.1-55.60000111.3V41 L109 S128 N130 A131 Y135 L136 L137V41-T133 HydrophobicContact CG1-CG2 3.83Å; L109-T133 HydrophobicContact CD2-CG2 4.22Å; S128-T133 WeakPolarHBondContact OG-CB 3.17Å; N130-T133 VanDerWaalsContact CG-OG1 3.3Å; N130-T133 PolarHBondContact ND2-OG1 3.44Å; N130-T133 VanDerWaalsContact ND2-OG1 3.11Å; N130-T133 WeakPolarHBondContact OD1-CB 3.5Å; N130-T133 PolarHBondContact OD1-N 2.89Å; N130-T133 PolarHBondContact OD1-OG1 3.33Å; A131-T133 PolarHBondContact O-N 2.88Å; T133-Y135 PolarHBondContact O-N 2.89Å; T133-L136 PolarHBondContact O-N 2.78Å; T133-L137 HydrophobicContact CG2-CD1 4.01Å; T133-L137 HydrophobicContact CG2-CG 4.24Å; T133-L137 WeakPolarHBondContact O-CB 3.36Å; T133-L137 WeakPolarHBondContact O-CG 3.46Å; T133-L137 PolarHBondContact O-N 2.79Å
134R92.7Very high92.9Very high29 Ų2917.2 Ų17.211%0.10911%0.106CC..Hα-helixtrans-62.9-42.1176.2-171.6171-59.6166.421.7112.8D126 N130 A131 P132 N138 S150 G151 Y171D126-R134 WeakPolarHBondContact OD2-CG 3.3Å; D126-R134 IonicContact OD2-CZ 3.13Å; D126-R134 IonicContact OD2-NE 3.39Å; D126-R134 PolarHBondContact OD2-NE 3.04Å; N130-R134 PolarHBondContact O-N 3.23Å; N130-R134 VanDerWaalsContact O-N 3.16Å; A131-R134 WeakPolarHBondContact O-CB 3.23Å; A131-R134 PolarHBondContact O-N 3.32Å; A131-R134 VanDerWaalsContact O-N 3.12Å; P132-R134 VanDerWaalsContact C-N 3.32Å; P132-R134 PolarHBondContact O-N 3.45Å; R134-N138 VanDerWaalsContact O-CB 3.31Å; R134-N138 WeakPolarHBondContact O-CB 3.5Å; R134-N138 PolarHBondContact O-N 3.43Å; R134-S150 PolarHBondContact NE-OG 3.36Å; R134-G151 PolarHBondContact NH2-O 2.99Å; R134-Y171 HydrophobicContact CG-CD1 4.15Å; R134-Y171 HydrophobicContact CG-CD2 4.19Å; R134-Y171 HydrophobicContact CG-CE1 3.97Å; R134-Y171 HydrophobicContact CG-CE2 4.07Å; R134-Y171 HydrophobicContact CG-CG 4.26Å
135Y93.2Very high92.8Very high3 Ų325.6 Ų25.61%0.01214%0.143CC..Hα-helixtrans-65.3-43.5174.4-82.9-83.4000111.8A131 P132 T133 N138 D139 Y171 R172 Y175 K177 P178 Y258A131-Y135 VanDerWaalsContact O-CD2 3.28Å; A131-Y135 WeakPolarHBondContact O-CD2 3.32Å; A131-Y135 PolarHBondContact O-N 3.47Å; P132-Y135 PolarHBondContact O-N 3.45Å; T133-Y135 PolarHBondContact O-N 2.89Å; Y135-N138 PolarHBondContact O-N 3.05Å; Y135-D139 VanDerWaalsContact O-CG 3.28Å; Y135-D139 PolarHBondContact O-N 3.25Å; Y135-Y171 HydrophobicContact CD1-CD1 4.18Å; Y135-Y171 HydrophobicContact CD1-CE1 4.31Å; Y135-Y171 HydrophobicContact CD2-CE1 4.01Å; Y135-Y171 HydrophobicContact CE1-CD1 4.04Å; Y135-Y171 AromaticContact CE1-CE1 3.98Å; Y135-Y171 HydrophobicContact CE1-CE1 3.98Å; Y135-Y171 HydrophobicContact CE2-CD1 4.41Å; Y135-Y171 AromaticContact CE2-CE1 3.61Å; Y135-Y171 HydrophobicContact CE2-CE1 3.61Å; Y135-Y171 HydrophobicContact CG-CD1 4.44Å; Y135-Y171 HydrophobicContact CG-CE1 4.32Å; Y135-Y171 AromaticContact CZ-CE1 3.58Å; Y135-R172 HydrophobicContact CD1-CG 4.13Å; Y135-R172 HydrophobicContact CE1-CG 4.17Å; Y135-Y175 WeakPolarHBondContact CE1-O 3.43Å; Y135-Y175 VanDerWaalsContact OH-CB 3.3Å; Y135-Y175 WeakPolarHBondContact OH-CB 3.28Å; Y135-Y175 PolarHBondContact OH-O 2.88Å; Y135-K177 PolarHBondContact OH-O 3.43Å; Y135-P178 HydrophobicContact CD1-CG 3.94Å; Y135-P178 HydrophobicContact CD2-CB 4.12Å; Y135-P178 HydrophobicContact CD2-CG 4.15Å; Y135-P178 HydrophobicContact CE1-CB 4.5Å; Y135-P178 HydrophobicContact CE1-CG 3.99Å; Y135-P178 HydrophobicContact CE2-CB 3.96Å; Y135-P178 HydrophobicContact CE2-CG 4.23Å; Y135-P178 HydrophobicContact CG-CG 4.03Å; Y135-P178 VanDerWaalsContact CZ-CA 3.44Å; Y135-Y258 HydrophobicContact CG-CE1 4.33Å
136L94.7Very high92.8Very high6 Ų627.3 Ų27.33%0.03115%0.15CC..Hα-helixtrans-58.3-51.3175.7176.960000111.6L109 A114 P132 T133 N138 D139 V140 P255 Y258L109-L136 HydrophobicContact CD2-CD2 4.07Å; L109-L136 HydrophobicContact CD2-CG 4.45Å; L109-L136 HydrophobicContact CG-CD2 4.06Å; A114-L136 HydrophobicContact CB-CD1 4.13Å; A114-L136 HydrophobicContact CB-CD2 4.15Å; A114-L136 HydrophobicContact CB-CG 4.17Å; P132-L136 PolarHBondContact O-N 3.21Å; T133-L136 PolarHBondContact O-N 2.78Å; L136-N138 PolarHBondContact O-N 3.37Å; L136-D139 PolarHBondContact O-N 3.44Å; L136-V140 HydrophobicContact CD1-CG2 3.85Å; L136-V140 HydrophobicContact CG-CG2 4.39Å; L136-V140 WeakPolarHBondContact O-CB 3.35Å; L136-V140 WeakPolarHBondContact O-CG2 3.25Å; L136-V140 PolarHBondContact O-N 3.19Å; L136-P255 HydrophobicContact CD1-CB 3.8Å; L136-Y258 HydrophobicContact CB-CD2 3.81Å; L136-Y258 HydrophobicContact CB-CE2 3.78Å; L136-Y258 HydrophobicContact CD1-CE2 4.23Å
137L96.9Very high92.8Very high0 Ų028.3 Ų28.30%016%0.156CC..Hα-helixtrans-62.5-42.6179.6-78.5177.1000112.6V41 L109 V118 V124 D126 T133 D139 C141 L148V41-L137 HydrophobicContact CB-CD1 3.86Å; V41-L137 HydrophobicContact CG1-CD1 3.93Å; V41-L137 HydrophobicContact CG2-CD1 3.89Å; V41-L137 HydrophobicContact CG2-CD2 3.88Å; V41-L137 HydrophobicContact CG2-CG 4.47Å; L109-L137 HydrophobicContact CD2-CD1 4.44Å; L109-L137 HydrophobicContact CD2-CD2 3.34Å; L109-L137 HydrophobicContact CD2-CG 3.7Å; V118-L137 HydrophobicContact CG2-CD2 4.26Å; V124-L137 HydrophobicContact CG1-CD2 3.98Å; D126-L137 HydrophobicContact CB-CD1 3.63Å; T133-L137 HydrophobicContact CG2-CD1 4.01Å; T133-L137 HydrophobicContact CG2-CG 4.24Å; T133-L137 WeakPolarHBondContact O-CB 3.36Å; T133-L137 WeakPolarHBondContact O-CG 3.46Å; T133-L137 PolarHBondContact O-N 2.79Å; L137-D139 VanDerWaalsContact C-N 3.31Å; L137-D139 PolarHBondContact O-N 3.4Å; L137-C141 WeakPolarHBondContact O-CB 3.26Å; L137-C141 PolarHBondContact O-N 2.86Å; L137-C141 PolarHBondContact O-SG 3.08Å; L137-L148 HydrophobicContact CB-CD1 4.25Å; L137-L148 HydrophobicContact CB-CD2 4.23Å
138N97Very high92.9Very high1 Ų128.1 Ų28.11%0.00516%0.155CC..Hα-helixtrans-54.6-51.5173.9172.578.9000110.9R134 Y135 L136 C141 V142 L148 C170 Y171R134-N138 VanDerWaalsContact O-CB 3.31Å; R134-N138 WeakPolarHBondContact O-CB 3.5Å; R134-N138 PolarHBondContact O-N 3.43Å; Y135-N138 PolarHBondContact O-N 3.05Å; L136-N138 PolarHBondContact O-N 3.37Å; N138-C141 PolarHBondContact O-N 2.72Å; N138-V142 WeakPolarHBondContact O-CB 3.18Å; N138-V142 VanDerWaalsContact O-CG2 3.28Å; N138-V142 WeakPolarHBondContact O-CG2 3.48Å; N138-V142 PolarHBondContact O-N 3.39Å; N138-L148 HydrophobicContact CB-CD2 4.43Å; N138-C170 VanDerWaalsContact OD1-CB 3.3Å; N138-C170 WeakPolarHBondContact OD1-CB 3.42Å; N138-Y171 VanDerWaalsContact CG-CB 3.48Å; N138-Y171 WeakPolarHBondContact OD1-CB 3.5Å; N138-Y171 PolarHBondContact OD1-N 3.3Å
139D96.3Very high93.3Very high0 Ų027 Ų270%015%0.147CC..Hα-helixtrans-67.8-45.2-172.8-69-0.1000111.1Y135 L136 L137 C141 V142 I143 R172 V245 I252 Y258Y135-D139 VanDerWaalsContact O-CG 3.28Å; Y135-D139 PolarHBondContact O-N 3.25Å; L136-D139 PolarHBondContact O-N 3.44Å; L137-D139 VanDerWaalsContact C-N 3.31Å; L137-D139 PolarHBondContact O-N 3.4Å; D139-C141 PolarHBondContact O-N 2.85Å; D139-V142 PolarHBondContact O-N 3.3Å; D139-I143 WeakPolarHBondContact O-CB 3.35Å; D139-I143 WeakPolarHBondContact O-CD1 3.28Å; D139-I143 WeakPolarHBondContact O-CG1 3.37Å; D139-I143 PolarHBondContact O-N 3.13Å; D139-R172 WeakPolarHBondContact OD1-CD 3.47Å; D139-R172 IonicContact OD1-CZ 3.53Å; D139-R172 IonicContact OD1-NE 3.27Å; D139-R172 PolarHBondContact OD1-NE 3.13Å; D139-R172 IonicContact OD2-CZ 2.78Å; D139-R172 IonicContact OD2-NE 2.77Å; D139-R172 PolarHBondContact OD2-NE 3.22Å; D139-R172 IonicContact OD2-NH2 3.77Å; D139-R172 PolarHBondContact OD2-NH2 2.85Å; D139-V245 HydrophobicContact CB-CG2 4.2Å; D139-I252 HydrophobicContact CB-CG2 4.49Å; D139-Y258 PolarHBondContact OD2-OH 3.09Å
140V97Very high94.3Very high2 Ų225.5 Ų25.51%0.01214%0.139CC..Hα-helixtrans-61.3-43176.7173.80000111.3A114 L115 V118 L136 I143 G144 P255A114-V140 HydrophobicContact CB-CG1 4.46Å; A114-V140 HydrophobicContact CB-CG2 3.76Å; L115-V140 HydrophobicContact CD1-CG1 4.42Å; V118-V140 HydrophobicContact CB-CG1 3.64Å; V118-V140 HydrophobicContact CG1-CG1 3.79Å; V118-V140 HydrophobicContact CG2-CG1 3.75Å; L136-V140 HydrophobicContact CD1-CG2 3.85Å; L136-V140 HydrophobicContact CG-CG2 4.39Å; L136-V140 WeakPolarHBondContact O-CB 3.35Å; L136-V140 WeakPolarHBondContact O-CG2 3.25Å; L136-V140 PolarHBondContact O-N 3.19Å; V140-I143 PolarHBondContact O-N 3.21Å; V140-G144 PolarHBondContact O-N 3.41Å; V140-P255 HydrophobicContact CG2-CB 4.16Å; V140-P255 HydrophobicContact CG2-CG 3.92Å
141C98.1Very high95.1Very high4 Ų422.8 Ų22.83%0.02713%0.125CC..Hα-helixtrans-69.3-37.1179.3-68.50000112.1L137 N138 D139 K145 K146 L148L137-C141 WeakPolarHBondContact O-CB 3.26Å; L137-C141 PolarHBondContact O-N 2.86Å; L137-C141 PolarHBondContact O-SG 3.08Å; N138-C141 PolarHBondContact O-N 2.72Å; D139-C141 PolarHBondContact O-N 2.85Å; C141-K145 CarbonylContact O-C 3.58Å; C141-K145 WeakPolarHBondContact O-CA 3.29Å; C141-K145 PolarHBondContact O-N 2.86Å; C141-K146 HydrophobicContact CB-CB 4.11Å; C141-K146 PolarHBondContact O-N 3.34Å; C141-L148 HydrophobicContact CB-CB 3.98Å
142V97.4Very high95.5Very high21 Ų2122.9 Ų22.913%0.12713%0.125CC..Hα-helixtrans-62.8-49.2173.1169.50000110.5N138 D139 K145 C170 V245 C246N138-V142 WeakPolarHBondContact O-CB 3.18Å; N138-V142 VanDerWaalsContact O-CG2 3.28Å; N138-V142 WeakPolarHBondContact O-CG2 3.48Å; N138-V142 PolarHBondContact O-N 3.39Å; D139-V142 PolarHBondContact O-N 3.3Å; V142-K145 PolarHBondContact O-N 3.33Å; V142-C170 HydrophobicContact CG2-CB 3.69Å; V142-V245 HydrophobicContact CB-CG1 4.32Å; V142-V245 HydrophobicContact CB-CG2 4Å; V142-V245 HydrophobicContact CG1-CB 4.44Å; V142-V245 HydrophobicContact CG1-CG1 4.16Å; V142-V245 HydrophobicContact CG1-CG2 3.81Å; V142-V245 HydrophobicContact CG2-CG1 4.19Å; V142-C246 HydrophobicContact CG1-CB 3.68Å; V142-C246 HydrophobicContact CG2-CB 4.48Å
143I95.5Very high95.7Very high58 Ų5822 Ų2230%0.29712%0.121SC..Hα-helixtrans-61.4-47.3-179.7-68.2162000110.7L115 D139 V140 K145 V245L115-I143 HydrophobicContact CD1-CG2 4.05Å; D139-I143 WeakPolarHBondContact O-CB 3.35Å; D139-I143 WeakPolarHBondContact O-CD1 3.28Å; D139-I143 WeakPolarHBondContact O-CG1 3.37Å; D139-I143 PolarHBondContact O-N 3.13Å; V140-I143 PolarHBondContact O-N 3.21Å; I143-K145 PolarHBondContact O-N 3.2Å; I143-V245 HydrophobicContact CG1-CG2 4.33Å
144G95.4Very high95.5Very high37 Ų3724 Ų2438%0.38113%0.13SC..THydrogen-bonded Turntrans-79.62.8179.900000114.9V140 K146V140-G144 PolarHBondContact O-N 3.41Å; G144-K146 PolarHBondContact O-N 3.46Å
145K96.4Very high95.1Very high176 Ų17629 Ų2977%0.76515%0.149SC*.THydrogen-bonded Turntrans49.638-174.4-58-179.4-178.5177.60113.4C141 V142 I143 A165C141-K145 CarbonylContact O-C 3.58Å; C141-K145 WeakPolarHBondContact O-CA 3.29Å; C141-K145 PolarHBondContact O-N 2.86Å; V142-K145 PolarHBondContact O-N 3.33Å; I143-K145 PolarHBondContact O-N 3.2Å; K145-A165 HydrophobicContact CB-CB 4.43Å
146K97.7Very high95Very high36 Ų3634.5 Ų34.516%0.15717%0.17CC..  trans-89.5153.3176.9-57.2-59-173.4167.20110.7V118 S119 Y121 C141 G144V118-K146 HydrophobicContact CG1-CB 4.38Å; V118-K146 HydrophobicContact CG1-CG 3.75Å; V118-K146 WeakPolarHBondContact O-CE 3.22Å; S119-K146 PolarHBondContact O-NZ 3.4Å; Y121-K146 WeakPolarHBondContact O-CD 3.32Å; Y121-K146 VanDerWaalsContact O-CE 3.26Å; Y121-K146 WeakPolarHBondContact O-CE 3.36Å; Y121-K146 PolarHBondContact O-NZ 3.05Å; C141-K146 HydrophobicContact CB-CB 4.11Å; C141-K146 PolarHBondContact O-N 3.34Å; G144-K146 PolarHBondContact O-N 3.46Å
147V98.3Very high94.8Very high20 Ų2039.3 Ų39.312%0.12119%0.192CC..EExtended strand (participates in β ladder)trans-82.5131.7167.2177.30000108.6V123 V124 T162 Y163 I209V123-V147 HydrophobicContact CG1-CG1 4.48Å; V123-V147 HydrophobicContact CG2-CB 4.11Å; V123-V147 HydrophobicContact CG2-CG1 4.49Å; V124-V147 PolarHBondContact N-O 2.68Å; V147-T162 HydrophobicContact CG1-CG2 3.57Å; V147-Y163 WeakPolarHBondContact CA-O 3.45Å; V147-I209 HydrophobicContact CG1-CD1 3.9Å
148L98.7Very high94.6Very high2 Ų239.4 Ų39.41%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-117.3117.7177.4174.665.2000109.5V124 D126 L137 N138 C141 T162 Y163V124-L148 HydrophobicContact CB-CD1 4.07Å; V124-L148 HydrophobicContact CG1-CD1 4.05Å; V124-L148 CarbonylContact O-C 3.55Å; V124-L148 WeakPolarHBondContact O-CA 3.25Å; D126-L148 HydrophobicContact CB-CD1 3.93Å; L137-L148 HydrophobicContact CB-CD1 4.25Å; L137-L148 HydrophobicContact CB-CD2 4.23Å; N138-L148 HydrophobicContact CB-CD2 4.43Å; C141-L148 HydrophobicContact CB-CB 3.98Å; L148-T162 CarbonylContact O-C 3.59Å; L148-T162 WeakPolarHBondContact O-CA 3.18Å; L148-Y163 HydrophobicContact CD2-CD2 4.14Å; L148-Y163 HydrophobicContact CG-CD2 4.43Å; L148-Y163 PolarHBondContact N-O 3.35Å; L148-Y163 PolarHBondContact O-N 2.97Å
149I98.6Very high94.5Very high0 Ų042.2 Ų42.20%021%0.206CC..EExtended strand (participates in β ladder)trans-98.3104.8171.3-60.2163.3000107.1V123 V124 C125 D126 M160 T162 Q202 E205 V206 I209V123-I149 HydrophobicContact CG1-CD1 3.75Å; V123-I149 HydrophobicContact CG1-CG1 4.23Å; V124-I149 PolarHBondContact O-N 2.62Å; C125-I149 WeakPolarHBondContact CA-O 3.22Å; D126-I149 PolarHBondContact N-O 3.14Å; I149-M160 HydrophobicContact CG2-CG 4.25Å; I149-M160 HydrophobicContact CG2-SD 4.18Å; I149-T162 HydrophobicContact CG1-CG2 4.02Å; I149-Q202 HydrophobicContact CG2-CB 4.04Å; I149-Q202 HydrophobicContact CG2-CG 3.85Å; I149-Q202 PolarHBondContact O-NE2 3.27Å; I149-E205 HydrophobicContact CD1-CB 3.65Å; I149-E205 HydrophobicContact CG1-CB 4.27Å; I149-E205 HydrophobicContact CG2-CB 4.3Å; I149-V206 HydrophobicContact CD1-CB 4.28Å; I149-V206 HydrophobicContact CD1-CG2 3.43Å; I149-V206 VanDerWaalsContact CD1-CG2 3.43Å; I149-I209 HydrophobicContact CD1-CD1 4.06Å; I149-I209 HydrophobicContact CG1-CD1 4.49Å
150S97.9Very high94.5Very high5 Ų542.3 Ų42.34%0.03521%0.207CC..EExtended strand (participates in β ladder)trans-101124.9-175.8-178.30000110.9D126 R134 M160 T161D126-S150 PolarHBondContact OD2-OG 3.43Å; R134-S150 PolarHBondContact NE-OG 3.36Å; S150-M160 WeakPolarHBondContact O-CA 3.44Å; S150-T161 PolarHBondContact N-O 2.91Å; S150-T161 PolarHBondContact O-N 3.32Å
151G95.6Very high94.6Very high1 Ų142.4 Ų42.41%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-115.2153.4176.100000111.6D126 R134 Q159D126-G151 PolarHBondContact O-N 3.22Å; D126-G151 VanDerWaalsContact O-N 3.13Å; R134-G151 PolarHBondContact NH2-O 2.99Å; G151-Q159 CarbonylContact C-O 3.6Å; G151-Q159 WeakPolarHBondContact CA-O 3.37Å
152S92Very high94.6Very high18 Ų1842.2 Ų42.213%0.12621%0.206CC..EExtended strand (participates in β ladder)trans-148.3151.9167.3570000110.8G158 Q159S152-G158 CarbonylContact O-C 3.41Å; S152-G158 WeakPolarHBondContact O-CA 3.36Å; S152-Q159 PolarHBondContact N-O 3.19Å; S152-Q159 PolarHBondContact O-N 2.7Å
153A90.2Very high94.6Very high20 Ų2042 Ų4217%0.16520%0.203CC..EExtended strand (participates in β ladder)trans-135.7142.3171.200000109L46 E157 C187 V192L46-A153 HydrophobicContact CD2-CB 4.37Å; A153-E157 CarbonylContact C-O 3.6Å; A153-E157 WeakPolarHBondContact CA-O 3.37Å; A153-C187 PolarHBondContact O-SG 3.34Å; A153-V192 HydrophobicContact CB-CG2 3.94Å
154L85.1Confident94.7Very high66 Ų6639.9 Ų39.935%0.34619%0.193SC..EExtended strand (participates in β ladder)trans-151.3127.3173.5-174.665.9000108.1W156 E157L154-W156 PolarHBondContact O-N 3.11Å; L154-W156 VanDerWaalsContact O-N 3.11Å; L154-E157 PolarHBondContact N-O 3.3Å; L154-E157 PolarHBondContact O-N 2.83Å
155R86.1Confident94.4Very high134 Ų13439.9 Ų39.951%0.50619%0.19SC..BIsolated β-bridgetrans54.8-114.5-174.5-60.2172175.51760.3110.9G190 G191 L193R155-G190 WeakPolarHBondContact CG-O 3.38Å; R155-G191 WeakPolarHBondContact CA-O 3.43Å; R155-G191 PolarHBondContact N-O 2.83Å; R155-L193 PolarHBondContact O-N 2.84Å
156W90.7Very high94Very high118 Ų11835.2 Ų35.245%0.44719%0.192SC..THydrogen-bonded Turntrans-101.1-3.6178.6-66.979.7000112.6L154 L193 G226 L227L154-W156 PolarHBondContact O-N 3.11Å; L154-W156 VanDerWaalsContact O-N 3.11Å; W156-L193 HydrophobicContact CD2-CD2 4.06Å; W156-L193 HydrophobicContact CE3-CD2 3.56Å; W156-L193 HydrophobicContact CH2-CD2 4.05Å; W156-L193 HydrophobicContact CZ2-CD2 4.49Å; W156-L193 HydrophobicContact CZ3-CD2 3.57Å; W156-G226 WeakPolarHBondContact O-CA 3.48Å; W156-G226 PolarHBondContact O-N 3.49Å; W156-L227 HydrophobicContact CB-CD1 4.24Å; W156-L227 HydrophobicContact CB-CG 3.79Å; W156-L227 HydrophobicContact CD2-CD1 4.44Å; W156-L227 HydrophobicContact CD2-CD2 3.42Å; W156-L227 VanDerWaalsContact CD2-CD2 3.42Å; W156-L227 HydrophobicContact CD2-CG 3.55Å; W156-L227 HydrophobicContact CE3-CD2 3.63Å; W156-L227 HydrophobicContact CE3-CG 3.84Å; W156-L227 HydrophobicContact CG-CD1 4.02Å; W156-L227 HydrophobicContact CG-CD2 3.89Å; W156-L227 HydrophobicContact CG-CG 3.53Å; W156-L227 HydrophobicContact CH2-CD2 4.05Å; W156-L227 HydrophobicContact CZ2-CD2 3.87Å; W156-L227 HydrophobicContact CZ3-CD2 3.93Å
157E90Very high93.7Very high106 Ų10638 Ų3850%0.49520%0.202SC..EExtended strand (participates in β ladder)trans-98.2142-175.5-66.3177.5-150.500110.8A153 L154 F224A153-E157 CarbonylContact C-O 3.6Å; A153-E157 WeakPolarHBondContact CA-O 3.37Å; L154-E157 PolarHBondContact N-O 3.3Å; L154-E157 PolarHBondContact O-N 2.83Å; E157-F224 CarbonylContact C-O 3.31Å; E157-F224 VanDerWaalsContact CA-O 3.3Å; E157-F224 WeakPolarHBondContact CA-O 3.49Å
158G92.9Very high93.5Very high2 Ų238.6 Ų38.62%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-129147.717300000110.7S152 V223 F224S152-G158 CarbonylContact O-C 3.41Å; S152-G158 WeakPolarHBondContact O-CA 3.36Å; G158-V223 WeakPolarHBondContact O-CA 3.46Å; G158-F224 PolarHBondContact N-O 3.3Å; G158-F224 PolarHBondContact O-N 2.69Å
159Q95Very high93.5Very high61 Ų6138.8 Ų38.829%0.28521%0.213SC..EExtended strand (participates in β ladder)trans-135.9145.8174.5-58.9-178.79.400110.9G151 S152 I198 L221 L222 V223G151-Q159 CarbonylContact C-O 3.6Å; G151-Q159 WeakPolarHBondContact CA-O 3.37Å; S152-Q159 PolarHBondContact N-O 3.19Å; S152-Q159 PolarHBondContact O-N 2.7Å; Q159-I198 WeakPolarHBondContact O-CG2 3.47Å; Q159-L221 HydrophobicContact CB-CD1 4.13Å; Q159-L222 VanDerWaalsContact CA-O 3.24Å; Q159-L222 WeakPolarHBondContact CA-O 3.28Å; Q159-V223 HydrophobicContact CG-CG2 4.46Å
160M96.9Very high93.5Very high1 Ų139.1 Ų39.11%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-146.4141.2175.4-170-178.168.600111.5I149 S150 I198 L201 Q202 E205 Y217 L222I149-M160 HydrophobicContact CG2-CG 4.25Å; I149-M160 HydrophobicContact CG2-SD 4.18Å; S150-M160 WeakPolarHBondContact O-CA 3.44Å; M160-I198 HydrophobicContact CB-CG2 4.27Å; M160-L201 HydrophobicContact CE-CB 3.81Å; M160-L201 HydrophobicContact SD-CB 3.75Å; M160-Q202 HydrophobicContact CG-CG 4.17Å; M160-Q202 HydrophobicContact SD-CB 4.29Å; M160-Q202 HydrophobicContact SD-CG 3.71Å; M160-Q202 PolarHBondContact SD-N 3.05Å; M160-Q202 VanDerWaalsContact SD-N 3.39Å; M160-E205 HydrophobicContact CE-CG 3.74Å; M160-E205 HydrophobicContact SD-CG 4.35Å; M160-Y217 HydrophobicContact CE-CD2 3.36Å; M160-Y217 HydrophobicContact CE-CE2 3.36Å; M160-Y217 HydrophobicContact CE-CG 4.19Å; M160-L222 HydrophobicContact CB-CB 4.34Å; M160-L222 HydrophobicContact CE-CD2 4.16Å; M160-L222 PolarHBondContact N-O 2.96Å; M160-L222 PolarHBondContact O-N 3.24Å
161T97.8Very high93.4Very high4 Ų440.1 Ų40.13%0.02522%0.218CC..EExtended strand (participates in β ladder)trans-150.1160.2170.5-163.90000110.8S150 Y163 Y217 R220 L236S150-T161 PolarHBondContact N-O 2.91Å; S150-T161 PolarHBondContact O-N 3.32Å; T161-Y163 HydrophobicContact CG2-CD1 4.39Å; T161-Y163 HydrophobicContact CG2-CD2 4.01Å; T161-Y163 HydrophobicContact CG2-CE1 3.78Å; T161-Y163 HydrophobicContact CG2-CE2 3.32Å; T161-Y163 VanDerWaalsContact CG2-OH 3.27Å; T161-Y163 WeakPolarHBondContact CG2-OH 3.32Å; T161-Y217 PolarHBondContact OG1-O 2.78Å; T161-R220 WeakPolarHBondContact CB-O 3.31Å; T161-R220 PolarHBondContact OG1-O 3.37Å; T161-L236 WeakPolarHBondContact OG1-CD1 3.46Å
162T98.5Very high93.3Very high1 Ų140.7 Ų40.71%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-112.6121.7176-53.90000109.5V147 L148 I149 I209 S215 Y217 V218V147-T162 HydrophobicContact CG1-CG2 3.57Å; L148-T162 CarbonylContact O-C 3.59Å; L148-T162 WeakPolarHBondContact O-CA 3.18Å; I149-T162 HydrophobicContact CG1-CG2 4.02Å; T162-I209 HydrophobicContact CG2-CD1 4.36Å; T162-S215 VanDerWaalsContact CB-OG 3.25Å; T162-S215 WeakPolarHBondContact CB-OG 3.36Å; T162-S215 WeakPolarHBondContact CG2-OG 3.31Å; T162-S215 PolarHBondContact OG1-OG 3.03Å; T162-Y217 PolarHBondContact N-O 3.48Å; T162-V218 HydrophobicContact CG2-CG2 3.84Å; T162-V218 WeakPolarHBondContact O-CA 3.4Å
163Y98.1Very high93.5Very high15 Ų1539.8 Ų39.86%0.05921%0.214CC..EExtended strand (participates in β ladder)trans-100.3128.9172.6-59.2-62.9000109.7V147 L148 T161 P169 Y171 L174V147-Y163 WeakPolarHBondContact CA-O 3.45Å; L148-Y163 HydrophobicContact CD2-CD2 4.14Å; L148-Y163 HydrophobicContact CG-CD2 4.43Å; L148-Y163 PolarHBondContact N-O 3.35Å; L148-Y163 PolarHBondContact O-N 2.97Å; T161-Y163 HydrophobicContact CG2-CD1 4.39Å; T161-Y163 HydrophobicContact CG2-CD2 4.01Å; T161-Y163 HydrophobicContact CG2-CE1 3.78Å; T161-Y163 HydrophobicContact CG2-CE2 3.32Å; T161-Y163 VanDerWaalsContact CG2-OH 3.27Å; T161-Y163 WeakPolarHBondContact CG2-OH 3.32Å; Y163-P169 VanDerWaalsContact CD1-O 3.28Å; Y163-P169 WeakPolarHBondContact CD1-O 3.3Å; Y163-Y171 AromaticContact CE2-CD2 3.99Å; Y163-Y171 HydrophobicContact CE2-CD2 3.99Å; Y163-Y171 HydrophobicContact CE2-CG 4.45Å; Y163-Y171 AromaticContact CZ-CD2 3.93Å; Y163-Y171 WeakPolarHBondContact OH-CD2 3.45Å; Y163-L174 HydrophobicContact CE1-CD1 4.23Å; Y163-L174 WeakPolarHBondContact OH-CD1 3.02Å
164S96.5Very high93.7Very high14 Ų1439.8 Ų39.810%0.09821%0.211CC..EExtended strand (participates in β ladder)trans-135.5119.2178.6179.20000108G166 R167S164-G166 PolarHBondContact O-N 3.35Å; S164-R167 CarbonylContact O-C 3.53Å; S164-R167 PolarHBondContact O-N 2.61Å; S164-R167 PolarHBondContact OG-NE 2.81Å; S164-R167 PolarHBondContact OG-NH2 3Å
165A88.9Confident94Very high37 Ų3741.8 Ų41.831%0.30622%0.215SC..THydrogen-bonded Turntrans-52.7132.7-18000000111.2K145 R167K145-A165 HydrophobicContact CB-CB 4.43Å; A165-R167 PolarHBondContact O-N 3Å
166G87.8Confident94.2Very high78 Ų7838.8 Ų38.880%0.80421%0.212SC*.THydrogen-bonded Turntrans78.1-11.8-176.400000115.6S164S164-G166 PolarHBondContact O-N 3.35Å
167R92.9Very high93.9Very high96 Ų9641.5 Ų41.536%0.36223%0.227SC..BIsolated β-bridgetrans-119.796.1178.4-57.3-169.9-60167.25.1110.1S164 A165 E214 V218S164-R167 CarbonylContact O-C 3.53Å; S164-R167 PolarHBondContact O-N 2.61Å; S164-R167 PolarHBondContact OG-NE 2.81Å; S164-R167 PolarHBondContact OG-NH2 3Å; A165-R167 PolarHBondContact O-N 3Å; R167-E214 IonicContact CZ-OE2 2.78Å; R167-E214 IonicContact NH1-OE1 3.9Å; R167-E214 PolarHBondContact NH1-OE1 3.07Å; R167-E214 IonicContact NH1-OE2 3.67Å; R167-E214 PolarHBondContact NH1-OE2 3.01Å; R167-V218 HydrophobicContact CB-CG1 3.99Å; R167-V218 VanDerWaalsContact O-CG1 3.23Å; R167-V218 WeakPolarHBondContact O-CG1 3.33Å
168G94.4Very high93.4Very high32 Ų3239 Ų3933%0.3322%0.22SC..SBendtrans82.3-168.9179.200000114.5
169P97.6Very high92.3Very high6 Ų641.5 Ų41.54%0.03924%0.236CC..  trans-71.4155.2177.733.2-38.3000111.4Y163 C173 L174 L236 R237Y163-P169 VanDerWaalsContact CD1-O 3.28Å; Y163-P169 WeakPolarHBondContact CD1-O 3.3Å; P169-C173 HydrophobicContact CB-CB 3.54Å; P169-L174 HydrophobicContact CB-CD2 4.15Å; P169-L174 HydrophobicContact CG-CD2 4.27Å; P169-L236 HydrophobicContact CG-CB 3.96Å; P169-L236 HydrophobicContact CG-CD1 4.22Å; P169-R237 WeakPolarHBondContact CB-O 3.37Å; P169-R237 WeakPolarHBondContact CD-O 3.27Å; P169-R237 WeakPolarHBondContact CG-O 3.37Å
170C97.6Very high90.8Very high6 Ų641.5 Ų41.54%0.04124%0.241CC..  trans-93.8177.1158.975.10000110.3N138 V142 R172 C173 C246N138-C170 VanDerWaalsContact OD1-CB 3.3Å; N138-C170 WeakPolarHBondContact OD1-CB 3.42Å; V142-C170 HydrophobicContact CG2-CB 3.69Å; C170-R172 VanDerWaalsContact C-N 3.31Å; C170-R172 PolarHBondContact O-N 2.95Å; C170-C173 VanDerWaalsContact O-CB 3.27Å; C170-C173 WeakPolarHBondContact O-CB 3.18Å; C170-C173 PolarHBondContact O-N 3.39Å; C170-C173 PolarHBondContact SG-N 2.96Å; C170-C173 VanDerWaalsContact SG-N 3.45Å; C170-C173 VanDerWaalsContact SG-SG 3.7Å; C170-C246 PolarHBondContact SG-SG 2.78Å
171Y96Very high88.8Confident26 Ų2643.6 Ų43.610%0.10226%0.255CS..Hα-helixtrans-57.2-43.2177.7-171.6-108000111.9R134 Y135 N138 Y163 C173 L174 Y175R134-Y171 HydrophobicContact CG-CD1 4.15Å; R134-Y171 HydrophobicContact CG-CD2 4.19Å; R134-Y171 HydrophobicContact CG-CE1 3.97Å; R134-Y171 HydrophobicContact CG-CE2 4.07Å; R134-Y171 HydrophobicContact CG-CG 4.26Å; Y135-Y171 HydrophobicContact CD1-CD1 4.18Å; Y135-Y171 HydrophobicContact CD1-CE1 4.31Å; Y135-Y171 HydrophobicContact CD2-CE1 4.01Å; Y135-Y171 HydrophobicContact CE1-CD1 4.04Å; Y135-Y171 AromaticContact CE1-CE1 3.98Å; Y135-Y171 HydrophobicContact CE1-CE1 3.98Å; Y135-Y171 HydrophobicContact CE2-CD1 4.41Å; Y135-Y171 AromaticContact CE2-CE1 3.61Å; Y135-Y171 HydrophobicContact CE2-CE1 3.61Å; Y135-Y171 HydrophobicContact CG-CD1 4.44Å; Y135-Y171 HydrophobicContact CG-CE1 4.32Å; Y135-Y171 AromaticContact CZ-CE1 3.58Å; N138-Y171 VanDerWaalsContact CG-CB 3.48Å; N138-Y171 WeakPolarHBondContact OD1-CB 3.5Å; N138-Y171 PolarHBondContact OD1-N 3.3Å; Y163-Y171 AromaticContact CE2-CD2 3.99Å; Y163-Y171 HydrophobicContact CE2-CD2 3.99Å; Y163-Y171 HydrophobicContact CE2-CG 4.45Å; Y163-Y171 AromaticContact CZ-CD2 3.93Å; Y163-Y171 WeakPolarHBondContact OH-CD2 3.45Å; Y171-C173 VanDerWaalsContact C-N 3.27Å; Y171-C173 PolarHBondContact O-N 3.49Å; Y171-L174 WeakPolarHBondContact O-CB 3.28Å; Y171-L174 PolarHBondContact O-N 3.48Å; Y171-Y175 AromaticContact CD2-CD2 3.97Å; Y171-Y175 HydrophobicContact CD2-CD2 3.97Å; Y171-Y175 HydrophobicContact CD2-CE2 4.34Å; Y171-Y175 HydrophobicContact CE1-CD2 4.17Å; Y171-Y175 AromaticContact CE2-CD2 3.47Å; Y171-Y175 HydrophobicContact CE2-CD2 3.47Å; Y171-Y175 VanDerWaalsContact CE2-CD2 3.47Å; Y171-Y175 AromaticContact CE2-CE2 3.74Å; Y171-Y175 HydrophobicContact CE2-CE2 3.74Å; Y171-Y175 HydrophobicContact CG-CD2 4.46Å; Y171-Y175 AromaticContact CZ-CD2 3.58Å; Y171-Y175 PolarHBondContact O-N 3.31Å
172R95Very high86.7Confident13 Ų1347.6 Ų47.65%0.04927%0.273CS..Hα-helixtrans-65-27.7174.6-75.5-175.3178.5-84.16.1114.1Y135 D139 C170 L174 Y175 P176 V245 Y258Y135-R172 HydrophobicContact CD1-CG 4.13Å; Y135-R172 HydrophobicContact CE1-CG 4.17Å; D139-R172 WeakPolarHBondContact OD1-CD 3.47Å; D139-R172 IonicContact OD1-CZ 3.53Å; D139-R172 IonicContact OD1-NE 3.27Å; D139-R172 PolarHBondContact OD1-NE 3.13Å; D139-R172 IonicContact OD2-CZ 2.78Å; D139-R172 IonicContact OD2-NE 2.77Å; D139-R172 PolarHBondContact OD2-NE 3.22Å; D139-R172 IonicContact OD2-NH2 3.77Å; D139-R172 PolarHBondContact OD2-NH2 2.85Å; C170-R172 VanDerWaalsContact C-N 3.31Å; C170-R172 PolarHBondContact O-N 2.95Å; R172-L174 PolarHBondContact O-N 3.3Å; R172-Y175 WeakPolarHBondContact CA-O 3.42Å; R172-Y175 CarbonylContact O-C 3.57Å; R172-P176 PolarHBondContact NH1-O 3.38Å; R172-P176 WeakPolarHBondContact O-CA 3.27Å; R172-V245 HydrophobicContact CB-CG1 4.28Å; R172-V245 HydrophobicContact CG-CG1 4.48Å; R172-Y258 PolarHBondContact NH2-OH 3.1Å
173C96.4Very high84.7Confident0 Ų052.7 Ų52.70%030%0.3CS..Hα-helixtrans-63.4-23.1172-71.40000111.3P169 C170 Y171 R237 D240 C243 C246P169-C173 HydrophobicContact CB-CB 3.54Å; C170-C173 VanDerWaalsContact O-CB 3.27Å; C170-C173 WeakPolarHBondContact O-CB 3.18Å; C170-C173 PolarHBondContact O-N 3.39Å; C170-C173 PolarHBondContact SG-N 2.96Å; C170-C173 VanDerWaalsContact SG-N 3.45Å; C170-C173 VanDerWaalsContact SG-SG 3.7Å; Y171-C173 VanDerWaalsContact C-N 3.27Å; Y171-C173 PolarHBondContact O-N 3.49Å; C173-R237 PolarHBondContact O-NE 3.45Å; C173-R237 PolarHBondContact O-NH2 3.08Å; C173-D240 PolarHBondContact SG-N 3.27Å; C173-C243 VanDerWaalsContact SG-SG 3.67Å; C173-C246 PolarHBondContact SG-SG 3.38Å
174L93.3Very high82.8Confident20 Ų2053.8 Ų53.811%0.10531%0.308CS..Hα-helixtrans-95.4-42.2176.7-52.8179.3000111.7Y163 P169 Y171 R172 L236 R237Y163-L174 HydrophobicContact CE1-CD1 4.23Å; Y163-L174 WeakPolarHBondContact OH-CD1 3.02Å; P169-L174 HydrophobicContact CB-CD2 4.15Å; P169-L174 HydrophobicContact CG-CD2 4.27Å; Y171-L174 WeakPolarHBondContact O-CB 3.28Å; Y171-L174 PolarHBondContact O-N 3.48Å; R172-L174 PolarHBondContact O-N 3.3Å; L174-L236 HydrophobicContact CD1-CD1 3.93Å; L174-L236 HydrophobicContact CD1-CD2 3.7Å; L174-L236 HydrophobicContact CD1-CG 4.36Å; L174-L236 HydrophobicContact CD2-CB 4.26Å; L174-L236 HydrophobicContact CD2-CD2 4.08Å; L174-R237 VanDerWaalsContact CA-NH2 3.33Å; L174-R237 HydrophobicContact CD2-CG 3.66Å; L174-R237 PolarHBondContact O-NH2 3.08Å
175Y91.2Very high80.8Confident108 Ų10856.6 Ų56.642%0.42433%0.325SS..SBendtrans-127.185.5-177.3-49.6-72.3000109Y135 Y171 R172 K177Y135-Y175 WeakPolarHBondContact CE1-O 3.43Å; Y135-Y175 VanDerWaalsContact OH-CB 3.3Å; Y135-Y175 WeakPolarHBondContact OH-CB 3.28Å; Y135-Y175 PolarHBondContact OH-O 2.88Å; Y171-Y175 AromaticContact CD2-CD2 3.97Å; Y171-Y175 HydrophobicContact CD2-CD2 3.97Å; Y171-Y175 HydrophobicContact CD2-CE2 4.34Å; Y171-Y175 HydrophobicContact CE1-CD2 4.17Å; Y171-Y175 AromaticContact CE2-CD2 3.47Å; Y171-Y175 HydrophobicContact CE2-CD2 3.47Å; Y171-Y175 VanDerWaalsContact CE2-CD2 3.47Å; Y171-Y175 AromaticContact CE2-CE2 3.74Å; Y171-Y175 HydrophobicContact CE2-CE2 3.74Å; Y171-Y175 HydrophobicContact CG-CD2 4.46Å; Y171-Y175 AromaticContact CZ-CD2 3.58Å; Y171-Y175 PolarHBondContact O-N 3.31Å; R172-Y175 WeakPolarHBondContact CA-O 3.42Å; R172-Y175 CarbonylContact O-C 3.57Å; Y175-K177 VanDerWaalsContact C-N 3.32Å; Y175-K177 PolarHBondContact O-N 3.04Å
176P90.9Very high79.4Confident70 Ų7056.4 Ų56.446%0.45532%0.321SS..  trans-62.5-35.8-167.8-27.236.1000114.7R172R172-P176 PolarHBondContact NH1-O 3.38Å; R172-P176 WeakPolarHBondContact O-CA 3.27Å
177K84Confident77.9Confident176 Ų17653.6 Ų53.677%0.76529%0.289SS*.SBendtrans-118.3135.4-178-66.2-175.2179.7-178.10109.7Y135 Y175Y135-K177 PolarHBondContact OH-O 3.43Å; Y175-K177 VanDerWaalsContact C-N 3.32Å; Y175-K177 PolarHBondContact O-N 3.04Å
178P79.4Confident76.2Confident54 Ų5450.3 Ų50.335%0.35128%0.282SS..PPolyproline II helixtrans-50.6129.3167.4-23.532.9000109.8Y135 Y258Y135-P178 HydrophobicContact CD1-CG 3.94Å; Y135-P178 HydrophobicContact CD2-CB 4.12Å; Y135-P178 HydrophobicContact CD2-CG 4.15Å; Y135-P178 HydrophobicContact CE1-CB 4.5Å; Y135-P178 HydrophobicContact CE1-CG 3.99Å; Y135-P178 HydrophobicContact CE2-CB 3.96Å; Y135-P178 HydrophobicContact CE2-CG 4.23Å; Y135-P178 HydrophobicContact CG-CG 4.03Å; Y135-P178 VanDerWaalsContact CZ-CA 3.44Å; P178-Y258 HydrophobicContact CG-CD1 4.22Å; P178-Y258 HydrophobicContact CG-CE1 4.01Å
179P70.6Confident74.5Confident53 Ų5349.4 Ų49.434%0.34427%0.269SS..PPolyproline II helixtrans-59.9146.6169.127.1-33.3000108.4L183 V184P179-L183 HydrophobicContact CB-CB 4.48Å; P179-V184 HydrophobicContact CB-CG2 4.19Å; P179-V184 HydrophobicContact CG-CG2 3.56Å
180P62.9Low73Confident62 Ų6249.6 Ų49.640%0.40327%0.272SS..PPolyproline II helixtrans-54.1143171.220.5-29.6000109.2E182 L183P180-E182 PolarHBondContact O-N 3.12Å; P180-L183 HydrophobicContact CG-CD1 3.66Å; P180-L183 HydrophobicContact CG-CG 3.98Å; P180-L183 PolarHBondContact O-N 3.41Å
181P55.7Low71.8Confident44 Ų4451.1 Ų51.129%0.28629%0.289SS..G310 helixtrans-50.9-35.8-173.9-18.122.4000112.7L183 V184 F261 C262P181-L183 PolarHBondContact O-N 2.91Å; P181-V184 PolarHBondContact O-N 2.91Å; P181-V184 VanDerWaalsContact O-N 3.1Å; P181-F261 WeakPolarHBondContact CG-O 3.38Å; P181-C262 HydrophobicContact CB-CB 4.2Å; P181-C262 VanDerWaalsContact CG-CA 3.46Å; P181-C262 HydrophobicContact CG-CB 4.02Å
182E52.4Low71Confident89 Ų8951.2 Ų51.242%0.41629%0.292SS..G310 helixtrans-50.9-32.8175.5-60172.3-130.300114.4P180 V342P180-E182 PolarHBondContact O-N 3.12Å; E182-V342 HydrophobicContact CB-CB 4.38Å; E182-V342 HydrophobicContact CB-CG1 4.06Å; E182-V342 HydrophobicContact CB-CG2 3.46Å; E182-V342 VanDerWaalsContact CB-CG2 3.46Å; E182-V342 HydrophobicContact CG-CG2 3.9Å; E182-V342 WeakPolarHBondContact O-CG2 3.18Å
183L57.1Low70.4Confident108 Ų10854 Ų5457%0.56531%0.308SS*.G310 helixtrans-95.1-1.4-176.5-64.4178.5000113.2P179 P180 P181P179-L183 HydrophobicContact CB-CB 4.48Å; P180-L183 HydrophobicContact CG-CD1 3.66Å; P180-L183 HydrophobicContact CG-CG 3.98Å; P180-L183 PolarHBondContact O-N 3.41Å; P181-L183 PolarHBondContact O-N 2.91Å
184V57.7Low69.2Low38 Ų3855.2 Ų55.223%0.2332%0.321CS..  trans-96.8105.1-175.5-173.40000110.3A131 P179 P181A131-V184 HydrophobicContact CB-CG1 3.76Å; A131-V184 HydrophobicContact CB-CG2 4.13Å; P179-V184 HydrophobicContact CB-CG2 4.19Å; P179-V184 HydrophobicContact CG-CG2 3.56Å; P181-V184 PolarHBondContact O-N 2.91Å; P181-V184 VanDerWaalsContact O-N 3.1Å
185T54Low68.6Low72 Ų7258.3 Ų58.344%0.44234%0.34SS..  trans-79.7119.1170.5-47.20000109.7Q189T185-Q189 HydrophobicContact CG2-CB 3.93Å
186S59.5Low68.6Low34 Ų3453.9 Ų53.924%0.23833%0.327CS..  trans-80.3159.7172.968.20000112.4A188 Q189 G190S186-A188 PolarHBondContact O-N 2.66Å; S186-Q189 WeakPolarHBondContact O-CB 3.15Å; S186-Q189 PolarHBondContact O-N 3.07Å; S186-Q189 WeakPolarHBondContact OG-CG 3.44Å; S186-Q189 PolarHBondContact OG-N 2.62Å; S186-G190 PolarHBondContact O-N 3.3Å
187C57Low68.8Low19 Ų1952.3 Ų52.313%0.12832%0.316CS..Hα-helixtrans-47.7-45.3169.1-109.20000113D129 A153 Q189 G190 G191 V192D129-C187 WeakPolarHBondContact OD2-CB 3.45Å; D129-C187 PolarHBondContact OD2-SG 3Å; A153-C187 PolarHBondContact O-SG 3.34Å; C187-Q189 PolarHBondContact O-N 3.2Å; C187-Q189 VanDerWaalsContact O-N 3.15Å; C187-G190 PolarHBondContact O-N 2.74Å; C187-G191 CarbonylContact O-C 3.48Å; C187-G191 WeakPolarHBondContact O-CA 3.45Å; C187-G191 PolarHBondContact O-N 3.29Å; C187-V192 HydrophobicContact CB-CB 4.48Å; C187-V192 HydrophobicContact CB-CG1 4.31Å; C187-V192 VanDerWaalsContact SG-CB 3.51Å
188A58Low69.4Low26 Ų2644.1 Ų44.122%0.21528%0.281CS..Hα-helixtrans-62.8-21179.900000113.4S186 H335 R336S186-A188 PolarHBondContact O-N 2.66Å; A188-H335 PolarHBondContact O-CE1 3.45Å; A188-H335 PolarHBondContact O-ND1 3.1Å; A188-R336 VanDerWaalsContact CB-CZ 3.43Å
189Q58.4Low70.2Confident13 Ų1341.6 Ų41.66%0.06126%0.264CS..Hα-helixtrans-93-39.3175.9-72.6175.7-11.700112.7T185 S186 C187 Q292 N338T185-Q189 HydrophobicContact CG2-CB 3.93Å; S186-Q189 WeakPolarHBondContact O-CB 3.15Å; S186-Q189 PolarHBondContact O-N 3.07Å; S186-Q189 WeakPolarHBondContact OG-CG 3.44Å; S186-Q189 PolarHBondContact OG-N 2.62Å; C187-Q189 PolarHBondContact O-N 3.2Å; C187-Q189 VanDerWaalsContact O-N 3.15Å; Q189-Q292 PolarHBondContact O-NE2 3.38Å; Q189-N338 PolarHBondContact NE2-ND2 3.45Å; Q189-N338 VanDerWaalsContact NE2-ND2 3.12Å
190G65Low71.5Confident10 Ų1041.2 Ų41.210%0.10326%0.261CS..Hα-helixtrans-85-14.7-17600000114.8R155 S186 C187R155-G190 WeakPolarHBondContact CG-O 3.38Å; S186-G190 PolarHBondContact O-N 3.3Å; C187-G190 PolarHBondContact O-N 2.74Å
191G72.5Confident73.2Confident38 Ų3840.1 Ų40.139%0.39225%0.252SS..  trans74.1155.6-163.900000111.4R155 C187R155-G191 WeakPolarHBondContact CA-O 3.43Å; R155-G191 PolarHBondContact N-O 2.83Å; C187-G191 CarbonylContact O-C 3.48Å; C187-G191 WeakPolarHBondContact O-CA 3.45Å; C187-G191 PolarHBondContact O-N 3.29Å
192V80.9Confident75.2Confident28 Ų2838 Ų3817%0.1724%0.238CC..BIsolated β-bridgetrans-149.7136.6176.963.20000110.9R77 A153 C187R77-V192 VanDerWaalsContact CD-CG1 3.42Å; A153-V192 HydrophobicContact CB-CG2 3.94Å; C187-V192 HydrophobicContact CB-CB 4.48Å; C187-V192 HydrophobicContact CB-CG1 4.31Å; C187-V192 VanDerWaalsContact SG-CB 3.51Å
193L80.9Confident77.4Confident73 Ų7333.8 Ų33.838%0.38222%0.219SC..  trans-81125.5172.3-173.370.8000109.9R155 W156 T195R155-L193 PolarHBondContact O-N 2.84Å; W156-L193 HydrophobicContact CD2-CD2 4.06Å; W156-L193 HydrophobicContact CE3-CD2 3.56Å; W156-L193 HydrophobicContact CH2-CD2 4.05Å; W156-L193 HydrophobicContact CZ2-CD2 4.49Å; W156-L193 HydrophobicContact CZ3-CD2 3.57Å; L193-T195 VanDerWaalsContact C-N 3.28Å; L193-T195 HydrophobicContact CD2-CG2 3.8Å; L193-T195 HydrophobicContact CG-CG2 3.99Å; L193-T195 PolarHBondContact O-N 3.29Å
194G72Confident79.3Confident25 Ų2532.5 Ų32.526%0.25821%0.212SC..  trans-7833.3-170.400000117.6G196G194-G196 VanDerWaalsContact C-N 3.3Å; G194-G196 PolarHBondContact O-N 3.24Å
195T80.4Confident81.3Confident85 Ų8530.7 Ų30.752%0.52120%0.201SC..  trans-76.2-12.7-172.752.70000114.9L193 T197L193-T195 VanDerWaalsContact C-N 3.28Å; L193-T195 HydrophobicContact CD2-CG2 3.8Å; L193-T195 HydrophobicContact CG-CG2 3.99Å; L193-T195 PolarHBondContact O-N 3.29Å; T195-T197 PolarHBondContact O-N 3.34Å; T195-T197 PolarHBondContact OG1-OG1 2.9Å
196G91.6Very high83.4Confident14 Ų1427.3 Ų27.314%0.14418%0.18CC..  trans67.74.8177.100000115.5G194 I198 G199 T200G194-G196 VanDerWaalsContact C-N 3.3Å; G194-G196 PolarHBondContact O-N 3.24Å; G196-I198 VanDerWaalsContact C-N 3.34Å; G196-I198 PolarHBondContact O-N 2.95Å; G196-G199 PolarHBondContact O-N 3.29Å; G196-T200 PolarHBondContact O-N 2.63Å; G196-T200 PolarHBondContact O-OG1 2.85Å
197T95.5Very high85.3Confident37 Ų3727.5 Ų27.523%0.22718%0.178CC..Hα-helixtrans-50.8-49-173.7-53.60000112.8T195 T200 L201 F224 F231T195-T197 PolarHBondContact O-N 3.34Å; T195-T197 PolarHBondContact OG1-OG1 2.9Å; T197-T200 PolarHBondContact O-N 3.4Å; T197-L201 HydrophobicContact CG2-CD1 4.08Å; T197-L201 WeakPolarHBondContact O-CG 3.47Å; T197-L201 PolarHBondContact O-N 3.42Å; T197-F224 HydrophobicContact CG2-CD1 4.16Å; T197-F224 HydrophobicContact CG2-CE1 4.13Å; T197-F224 HydrophobicContact CG2-CG 4.45Å; T197-F224 HydrophobicContact CG2-CZ 4.41Å; T197-F231 HydrophobicContact CG2-CE1 4.29Å; T197-F231 HydrophobicContact CG2-CZ 4.04Å
198I96Very high87.2Confident5 Ų528.3 Ų28.33%0.02618%0.18CC..Hα-helixtrans-66.5-40.4-178.7-62.6-58.6000111.5L46 Q159 M160 G196 T200 L201 Q202 F224L46-I198 HydrophobicContact CD2-CB 3.67Å; L46-I198 HydrophobicContact CD2-CG2 3.79Å; Q159-I198 WeakPolarHBondContact O-CG2 3.47Å; M160-I198 HydrophobicContact CB-CG2 4.27Å; G196-I198 VanDerWaalsContact C-N 3.34Å; G196-I198 PolarHBondContact O-N 2.95Å; I198-T200 VanDerWaalsContact C-N 3.34Å; I198-T200 PolarHBondContact O-N 3.08Å; I198-L201 HydrophobicContact CD1-CD1 4.24Å; I198-L201 WeakPolarHBondContact O-CB 3.09Å; I198-L201 PolarHBondContact O-N 3Å; I198-L201 VanDerWaalsContact O-N 3.15Å; I198-Q202 HydrophobicContact CG2-CG 4.43Å; I198-Q202 WeakPolarHBondContact O-CG 3.11Å; I198-Q202 PolarHBondContact O-N 2.91Å; I198-F224 HydrophobicContact CD1-CB 4.19Å
199G96.8Very high89.1Confident0 Ų028.5 Ų28.50%018%0.177CC..Hα-helixtrans-64.3-38.117800000112.7L46 C50 G196 L201 Q202 A203L46-G199 WeakPolarHBondContact O-CA 3.43Å; C50-G199 WeakPolarHBondContact CA-O 3.38Å; C50-G199 WeakPolarHBondContact CB-O 3.48Å; G196-G199 PolarHBondContact O-N 3.29Å; G199-L201 VanDerWaalsContact C-N 3.35Å; G199-Q202 WeakPolarHBondContact O-CB 3.26Å; G199-Q202 PolarHBondContact O-N 2.89Å; G199-A203 PolarHBondContact O-N 2.68Å
200T97.6Very high91Very high46 Ų4628.1 Ų28.128%0.28218%0.176SC..Hα-helixtrans-62.6-41.2171.8-57.60000111.8Y53 G196 T197 I198 Q202 A203 N204Y53-T200 HydrophobicContact CD2-CG2 3.8Å; Y53-T200 HydrophobicContact CE2-CG2 3.56Å; Y53-T200 WeakPolarHBondContact CE2-OG1 3.37Å; G196-T200 PolarHBondContact O-N 2.63Å; G196-T200 PolarHBondContact O-OG1 2.85Å; T197-T200 PolarHBondContact O-N 3.4Å; I198-T200 VanDerWaalsContact C-N 3.34Å; I198-T200 PolarHBondContact O-N 3.08Å; T200-Q202 VanDerWaalsContact C-N 3.35Å; T200-A203 PolarHBondContact O-N 3.03Å; T200-N204 PolarHBondContact O-N 2.55Å
201L97.8Very high92.6Very high39 Ų3928.5 Ų28.520%0.20418%0.178CC..Hα-helixtrans-67.2-35.1176.1-70164.7000112.3M160 T197 I198 G199 A203 N204 E205 L222 F231M160-L201 HydrophobicContact CE-CB 3.81Å; M160-L201 HydrophobicContact SD-CB 3.75Å; T197-L201 HydrophobicContact CG2-CD1 4.08Å; T197-L201 WeakPolarHBondContact O-CG 3.47Å; T197-L201 PolarHBondContact O-N 3.42Å; I198-L201 HydrophobicContact CD1-CD1 4.24Å; I198-L201 WeakPolarHBondContact O-CB 3.09Å; I198-L201 PolarHBondContact O-N 3Å; I198-L201 VanDerWaalsContact O-N 3.15Å; G199-L201 VanDerWaalsContact C-N 3.35Å; L201-A203 VanDerWaalsContact C-N 3.35Å; L201-N204 WeakPolarHBondContact O-CB 3.29Å; L201-N204 PolarHBondContact O-N 2.92Å; L201-E205 PolarHBondContact O-N 2.91Å; L201-E205 VanDerWaalsContact O-N 3.08Å; L201-L222 HydrophobicContact CD1-CD2 3.66Å; L201-F231 HydrophobicContact CD1-CE1 4Å
202Q98.4Very high93.7Very high0 Ų030 Ų300%019%0.193CC..Hα-helixtrans-60.9-45.8172.5-69.1-177.1-88.100110.4D126 C127 I149 M160 I198 G199 T200 N204 E205 V206D126-Q202 PolarHBondContact O-NE2 3.34Å; C127-Q202 PolarHBondContact SG-OE1 3.04Å; I149-Q202 HydrophobicContact CG2-CB 4.04Å; I149-Q202 HydrophobicContact CG2-CG 3.85Å; I149-Q202 PolarHBondContact O-NE2 3.27Å; M160-Q202 HydrophobicContact CG-CG 4.17Å; M160-Q202 HydrophobicContact SD-CB 4.29Å; M160-Q202 HydrophobicContact SD-CG 3.71Å; M160-Q202 PolarHBondContact SD-N 3.05Å; M160-Q202 VanDerWaalsContact SD-N 3.39Å; I198-Q202 HydrophobicContact CG2-CG 4.43Å; I198-Q202 WeakPolarHBondContact O-CG 3.11Å; I198-Q202 PolarHBondContact O-N 2.91Å; G199-Q202 WeakPolarHBondContact O-CB 3.26Å; G199-Q202 PolarHBondContact O-N 2.89Å; T200-Q202 VanDerWaalsContact C-N 3.35Å; Q202-N204 VanDerWaalsContact C-N 3.3Å; Q202-N204 PolarHBondContact O-N 3.41Å; Q202-E205 PolarHBondContact O-N 3.48Å; Q202-V206 WeakPolarHBondContact O-CG2 3.34Å; Q202-V206 PolarHBondContact O-N 3.19Å
203A98.3Very high94.5Very high0 Ų032.1 Ų32.10%020%0.204CC..Hα-helixtrans-60.1-40176.500000112.4L54 G199 T200 L201 E205 V206 I207L54-A203 HydrophobicContact CD2-CB 3.86Å; L54-A203 HydrophobicContact CG-CB 3.93Å; G199-A203 PolarHBondContact O-N 2.68Å; T200-A203 PolarHBondContact O-N 3.03Å; L201-A203 VanDerWaalsContact C-N 3.35Å; A203-E205 PolarHBondContact O-N 3.13Å; A203-V206 WeakPolarHBondContact O-CB 3.34Å; A203-V206 PolarHBondContact O-N 3.36Å; A203-I207 VanDerWaalsContact O-CG1 3.31Å; A203-I207 WeakPolarHBondContact O-CG1 3.46Å; A203-I207 PolarHBondContact O-N 3.07Å
204N98.1Very high95.1Very high80 Ų8034.9 Ų34.943%0.42821%0.214SC..Hα-helixtrans-61.9-42.6176.1-176.267.4000112.6T200 L201 Q202 I207 K208T200-N204 PolarHBondContact O-N 2.55Å; L201-N204 WeakPolarHBondContact O-CB 3.29Å; L201-N204 PolarHBondContact O-N 2.92Å; Q202-N204 VanDerWaalsContact C-N 3.3Å; Q202-N204 PolarHBondContact O-N 3.41Å; N204-I207 PolarHBondContact O-N 3.44Å; N204-K208 WeakPolarHBondContact O-CG 3.39Å; N204-K208 PolarHBondContact O-N 3.39Å; N204-K208 VanDerWaalsContact O-N 3.08Å
205E98.5Very high96.3Very high1 Ų134.1 Ų34.11%0.00521%0.205CC..Hα-helixtrans-63.4-40.9175.1-74.2-58.8119.700112.2I149 M160 L201 Q202 A203 K208 I209 S215 S216 Y217I149-E205 HydrophobicContact CD1-CB 3.65Å; I149-E205 HydrophobicContact CG1-CB 4.27Å; I149-E205 HydrophobicContact CG2-CB 4.3Å; M160-E205 HydrophobicContact CE-CG 3.74Å; M160-E205 HydrophobicContact SD-CG 4.35Å; L201-E205 PolarHBondContact O-N 2.91Å; L201-E205 VanDerWaalsContact O-N 3.08Å; Q202-E205 PolarHBondContact O-N 3.48Å; A203-E205 PolarHBondContact O-N 3.13Å; E205-K208 PolarHBondContact O-N 3.4Å; E205-K208 WeakPolarHBondContact OE1-CE 3.24Å; E205-K208 IonicContact OE1-NZ 3.34Å; E205-K208 PolarHBondContact OE1-NZ 2.89Å; E205-K208 IonicContact OE2-NZ 2.75Å; E205-I209 WeakPolarHBondContact O-CG1 3.45Å; E205-I209 PolarHBondContact O-N 3.22Å; E205-S215 VanDerWaalsContact OE2-CA 3.3Å; E205-S215 WeakPolarHBondContact OE2-CA 3.32Å; E205-S215 VanDerWaalsContact OE2-CB 3.31Å; E205-S215 WeakPolarHBondContact OE2-CB 3.48Å; E205-S215 PolarHBondContact OE2-OG 3.19Å; E205-S216 PolarHBondContact OE2-N 3.17Å; E205-Y217 HydrophobicContact CG-CD2 3.76Å; E205-Y217 HydrophobicContact CG-CE2 4.18Å; E205-Y217 WeakPolarHBondContact OE1-CD2 3.3Å; E205-Y217 VanDerWaalsContact OE1-CE2 3.32Å; E205-Y217 WeakPolarHBondContact OE1-CE2 3.39Å
206V98.7Very high97.1Very high0 Ų032 Ų320%019%0.194CC..Hα-helixtrans-60.5-48.6175.2170.50000111V38 L54 I59 V123 C125 I149 Q202 A203 K208 I209 A210V38-V206 HydrophobicContact CB-CG1 4.41Å; V38-V206 HydrophobicContact CG1-CG1 4.12Å; V38-V206 HydrophobicContact CG1-CG2 4.23Å; V38-V206 HydrophobicContact CG2-CG1 3.42Å; V38-V206 VanDerWaalsContact CG2-CG1 3.42Å; L54-V206 HydrophobicContact CD1-CB 4.4Å; L54-V206 HydrophobicContact CD1-CG1 4.06Å; L54-V206 HydrophobicContact CD1-CG2 4.33Å; L54-V206 HydrophobicContact CD2-CB 3.71Å; L54-V206 HydrophobicContact CD2-CG1 3.5Å; L54-V206 VanDerWaalsContact CD2-CG1 3.5Å; L54-V206 HydrophobicContact CD2-CG2 4.44Å; L54-V206 HydrophobicContact CG-CG1 4.44Å; I59-V206 HydrophobicContact CD1-CG1 4.29Å; V123-V206 HydrophobicContact CG1-CG2 4.11Å; C125-V206 WeakPolarHBondContact SG-CG2 3.44Å; I149-V206 HydrophobicContact CD1-CB 4.28Å; I149-V206 HydrophobicContact CD1-CG2 3.43Å; I149-V206 VanDerWaalsContact CD1-CG2 3.43Å; Q202-V206 WeakPolarHBondContact O-CG2 3.34Å; Q202-V206 PolarHBondContact O-N 3.19Å; A203-V206 WeakPolarHBondContact O-CB 3.34Å; A203-V206 PolarHBondContact O-N 3.36Å; V206-K208 VanDerWaalsContact C-N 3.3Å; V206-K208 PolarHBondContact O-N 3.04Å; V206-I209 PolarHBondContact O-N 3.04Å; V206-A210 VanDerWaalsContact O-CB 3.23Å; V206-A210 WeakPolarHBondContact O-CB 3.35Å; V206-A210 PolarHBondContact O-N 3.06Å
207I98.4Very high97.4Very high39 Ų3933.2 Ų33.220%0.219%0.194CC..Hα-helixtrans-59.7-43.2-178.6-70.9164.3000110.5L33 L54 A57 A203 N204 A210 A211L33-I207 HydrophobicContact CD1-CG2 4.47Å; L33-I207 HydrophobicContact CD2-CB 4.4Å; L33-I207 HydrophobicContact CD2-CG1 4.43Å; L33-I207 HydrophobicContact CD2-CG2 4.12Å; L54-I207 HydrophobicContact CD2-CD1 4.34Å; L54-I207 HydrophobicContact CD2-CG1 3.9Å; A57-I207 HydrophobicContact CB-CD1 3.65Å; A57-I207 HydrophobicContact CB-CG1 4.07Å; A203-I207 VanDerWaalsContact O-CG1 3.31Å; A203-I207 WeakPolarHBondContact O-CG1 3.46Å; A203-I207 PolarHBondContact O-N 3.07Å; N204-I207 PolarHBondContact O-N 3.44Å; I207-A210 PolarHBondContact O-N 3.28Å; I207-A211 VanDerWaalsContact O-CB 3.29Å; I207-A211 WeakPolarHBondContact O-CB 3.08Å; I207-A211 PolarHBondContact O-N 3.29Å
208K98.1Very high97.4Very high36 Ų3633 Ų3316%0.15719%0.193CC..Hα-helixtrans-59.5-51.3175.2-75.8-168.4-58.5-177.20112.1N204 E205 V206 A210 A211 G212 L213 S216N204-K208 WeakPolarHBondContact O-CG 3.39Å; N204-K208 PolarHBondContact O-N 3.39Å; N204-K208 VanDerWaalsContact O-N 3.08Å; E205-K208 PolarHBondContact O-N 3.4Å; E205-K208 WeakPolarHBondContact OE1-CE 3.24Å; E205-K208 IonicContact OE1-NZ 3.34Å; E205-K208 PolarHBondContact OE1-NZ 2.89Å; E205-K208 IonicContact OE2-NZ 2.75Å; V206-K208 VanDerWaalsContact C-N 3.3Å; V206-K208 PolarHBondContact O-N 3.04Å; K208-A210 VanDerWaalsContact C-N 3.29Å; K208-A210 PolarHBondContact O-N 3.37Å; K208-A211 CarbonylContact O-C 3.58Å; K208-A211 PolarHBondContact O-N 3.16Å; K208-A211 VanDerWaalsContact O-N 3.16Å; K208-G212 PolarHBondContact O-N 3.4Å; K208-L213 HydrophobicContact CB-CB 4.04Å; K208-L213 HydrophobicContact CB-CD1 4.44Å; K208-L213 HydrophobicContact CG-CD1 4.16Å; K208-L213 WeakPolarHBondContact O-CA 3.33Å; K208-L213 WeakPolarHBondContact O-CB 3.49Å; K208-L213 PolarHBondContact O-N 3.15Å; K208-S216 PolarHBondContact NZ-OG 3.29Å
209I98Very high97.5Very high29 Ų2933.5 Ų33.515%0.14920%0.199CC..Hα-helixtrans-61.6-42.4-178.7-65.9170.6000110.7F36 V123 V147 I149 T162 E205 V206 A211 G212F36-I209 HydrophobicContact CZ-CG2 4.14Å; V123-I209 HydrophobicContact CG2-CG2 3.84Å; V147-I209 HydrophobicContact CG1-CD1 3.9Å; I149-I209 HydrophobicContact CD1-CD1 4.06Å; I149-I209 HydrophobicContact CG1-CD1 4.49Å; T162-I209 HydrophobicContact CG2-CD1 4.36Å; E205-I209 WeakPolarHBondContact O-CG1 3.45Å; E205-I209 PolarHBondContact O-N 3.22Å; V206-I209 PolarHBondContact O-N 3.04Å; I209-A211 VanDerWaalsContact C-N 3.32Å; I209-A211 PolarHBondContact O-N 2.93Å; I209-G212 PolarHBondContact O-N 3.07Å
210A98.1Very high97.5Very high5 Ų538.8 Ų38.84%0.04122%0.219CC..Hα-helixtrans-65.5-34.2177.800000112.7A32 L33 F36 I59 V206 I207 K208 G212A32-A210 WeakPolarHBondContact CB-O 3.24Å; L33-A210 HydrophobicContact CD2-CB 3.52Å; F36-A210 HydrophobicContact CB-CB 3.9Å; F36-A210 HydrophobicContact CD1-CB 3.49Å; F36-A210 VanDerWaalsContact CD1-CB 3.49Å; F36-A210 HydrophobicContact CD2-CB 3.71Å; F36-A210 HydrophobicContact CE1-CB 3.82Å; F36-A210 HydrophobicContact CE2-CB 4.03Å; F36-A210 HydrophobicContact CG-CB 3.42Å; F36-A210 VanDerWaalsContact CG-CB 3.42Å; F36-A210 HydrophobicContact CZ-CB 4.07Å; I59-A210 HydrophobicContact CD1-CB 4.06Å; V206-A210 VanDerWaalsContact O-CB 3.23Å; V206-A210 WeakPolarHBondContact O-CB 3.35Å; V206-A210 PolarHBondContact O-N 3.06Å; I207-A210 PolarHBondContact O-N 3.28Å; K208-A210 VanDerWaalsContact C-N 3.29Å; K208-A210 PolarHBondContact O-N 3.37Å; A210-G212 PolarHBondContact O-N 3.06Å
211A97.4Very high97.5Very high19 Ų1937.9 Ų37.916%0.15721%0.213CC..THydrogen-bonded Turntrans-75.6-1.3172.800000113.9L25 I207 K208 I209 L213L25-A211 HydrophobicContact CD1-CB 3.58Å; I207-A211 VanDerWaalsContact O-CB 3.29Å; I207-A211 WeakPolarHBondContact O-CB 3.08Å; I207-A211 PolarHBondContact O-N 3.29Å; K208-A211 CarbonylContact O-C 3.58Å; K208-A211 PolarHBondContact O-N 3.16Å; K208-A211 VanDerWaalsContact O-N 3.16Å; I209-A211 VanDerWaalsContact C-N 3.32Å; I209-A211 PolarHBondContact O-N 2.93Å; A211-L213 HydrophobicContact CB-CG 4.39Å
212G96.4Very high97.6Very high69 Ų6936.2 Ų36.271%0.71120%0.204SC*.THydrogen-bonded Turntrans83.211.3-177.500000114.5K208 I209 A210K208-G212 PolarHBondContact O-N 3.4Å; I209-G212 PolarHBondContact O-N 3.07Å; A210-G212 PolarHBondContact O-N 3.06Å
213L96.6Very high97.4Very high73 Ų7337.8 Ų37.838%0.38221%0.214SC..PPolyproline II helixtrans-86151.6174.1-54.5173.8000110.7E24 K208 A211E24-L213 HydrophobicContact CB-CD1 4.2Å; K208-L213 HydrophobicContact CB-CB 4.04Å; K208-L213 HydrophobicContact CB-CD1 4.44Å; K208-L213 HydrophobicContact CG-CD1 4.16Å; K208-L213 WeakPolarHBondContact O-CA 3.33Å; K208-L213 WeakPolarHBondContact O-CB 3.49Å; K208-L213 PolarHBondContact O-N 3.15Å; A211-L213 HydrophobicContact CB-CG 4.39Å
214E95Very high97.3Very high131 Ų13139 Ų3961%0.61222%0.219SC*.PPolyproline II helixtrans-70.3144.2176.8-75.9-66.8168.800112.2R167R167-E214 IonicContact CZ-OE2 2.78Å; R167-E214 IonicContact NH1-OE1 3.9Å; R167-E214 PolarHBondContact NH1-OE1 3.07Å; R167-E214 IonicContact NH1-OE2 3.67Å; R167-E214 PolarHBondContact NH1-OE2 3.01Å
215S96.2Very high97Very high9 Ų937.5 Ų37.56%0.06321%0.211CC..PPolyproline II helixtrans-69138.3173.3172.40000110.9T162 E205 Y217T162-S215 VanDerWaalsContact CB-OG 3.25Å; T162-S215 WeakPolarHBondContact CB-OG 3.36Å; T162-S215 WeakPolarHBondContact CG2-OG 3.31Å; T162-S215 PolarHBondContact OG1-OG 3.03Å; E205-S215 VanDerWaalsContact OE2-CA 3.3Å; E205-S215 WeakPolarHBondContact OE2-CA 3.32Å; E205-S215 VanDerWaalsContact OE2-CB 3.31Å; E205-S215 WeakPolarHBondContact OE2-CB 3.48Å; E205-S215 PolarHBondContact OE2-OG 3.19Å; S215-Y217 VanDerWaalsContact C-N 3.27Å; S215-Y217 PolarHBondContact O-N 2.99Å; S215-Y217 PolarHBondContact OG-N 2.84Å
216S96.8Very high96.7Very high40 Ų4038.4 Ų38.428%0.2822%0.221SC..THydrogen-bonded Turntrans-79.5-9.6177.2-66.80000112.9E205 K208 R220E205-S216 PolarHBondContact OE2-N 3.17Å; K208-S216 PolarHBondContact NZ-OG 3.29Å; S216-R220 PolarHBondContact O-NE 2.82Å; S216-R220 PolarHBondContact O-NH2 2.79Å
217Y97.9Very high96.3Very high39 Ų3944.3 Ų44.315%0.15325%0.251CS..THydrogen-bonded Turntrans-124.216.3-171.3-55.9-73.2000114.6M160 T161 T162 E205 S215 G219 R220 L222 T233M160-Y217 HydrophobicContact CE-CD2 3.36Å; M160-Y217 HydrophobicContact CE-CE2 3.36Å; M160-Y217 HydrophobicContact CE-CG 4.19Å; T161-Y217 PolarHBondContact OG1-O 2.78Å; T162-Y217 PolarHBondContact N-O 3.48Å; E205-Y217 HydrophobicContact CG-CD2 3.76Å; E205-Y217 HydrophobicContact CG-CE2 4.18Å; E205-Y217 WeakPolarHBondContact OE1-CD2 3.3Å; E205-Y217 VanDerWaalsContact OE1-CE2 3.32Å; E205-Y217 WeakPolarHBondContact OE1-CE2 3.39Å; S215-Y217 VanDerWaalsContact C-N 3.27Å; S215-Y217 PolarHBondContact O-N 2.99Å; S215-Y217 PolarHBondContact OG-N 2.84Å; Y217-G219 PolarHBondContact O-N 3.32Å; Y217-R220 HydrophobicContact CD1-CB 4.46Å; Y217-R220 PolarHBondContact O-N 3.29Å; Y217-L222 HydrophobicContact CD1-CB 3.98Å; Y217-L222 HydrophobicContact CE1-CB 3.69Å; Y217-L222 HydrophobicContact CE1-CD1 4.05Å; Y217-L222 HydrophobicContact CE1-CD2 4.3Å; Y217-L222 HydrophobicContact CE1-CG 4.24Å; Y217-T233 HydrophobicContact CE1-CG2 4.5Å
218V97.3Very high96Very high33 Ų3347.4 Ų47.420%0.227%0.268CS..BIsolated β-bridgetrans-66.9121164.2176.50000109.4T162 R167 R220T162-V218 HydrophobicContact CG2-CG2 3.84Å; T162-V218 WeakPolarHBondContact O-CA 3.4Å; R167-V218 HydrophobicContact CB-CG1 3.99Å; R167-V218 VanDerWaalsContact O-CG1 3.23Å; R167-V218 WeakPolarHBondContact O-CG1 3.33Å; V218-R220 PolarHBondContact O-N 3.04Å
219G97.1Very high95.8Very high16 Ų1648.1 Ų48.117%0.16529%0.286CS..THydrogen-bonded Turntrans68.215.3-176.900000114.5Y217 L236Y217-G219 PolarHBondContact O-N 3.32Å; G219-L236 WeakPolarHBondContact O-CB 3.31Å; G219-L236 PolarHBondContact O-N 2.98Å
220R98Very high95.6Very high110 Ų11048 Ų4842%0.41529%0.288SS..EExtended strand (participates in β ladder)trans-136.8139.4179.5-66-178.4-81.3179.7-4.8110.3T161 S216 Y217 V218 T233 V234T161-R220 WeakPolarHBondContact CB-O 3.31Å; T161-R220 PolarHBondContact OG1-O 3.37Å; S216-R220 PolarHBondContact O-NE 2.82Å; S216-R220 PolarHBondContact O-NH2 2.79Å; Y217-R220 HydrophobicContact CD1-CB 4.46Å; Y217-R220 PolarHBondContact O-N 3.29Å; V218-R220 PolarHBondContact O-N 3.04Å; R220-T233 HydrophobicContact CB-CG2 3.86Å; R220-T233 HydrophobicContact CG-CG2 4.3Å; R220-V234 CarbonylContact C-O 3.6Å; R220-V234 WeakPolarHBondContact CA-O 3.38Å
221L97.6Very high95.5Very high27 Ų2753.1 Ų53.114%0.14131%0.309CS..EExtended strand (participates in β ladder)trans-106.3117.9175.5179.767.2000109Q159 V223 T233 V234 L236Q159-L221 HydrophobicContact CB-CD1 4.13Å; L221-V223 HydrophobicContact CD2-CG2 4.09Å; L221-V223 HydrophobicContact CG-CG2 4.07Å; L221-T233 CarbonylContact O-C 3.48Å; L221-T233 WeakPolarHBondContact O-CA 3.39Å; L221-V234 HydrophobicContact CB-CB 4.49Å; L221-V234 PolarHBondContact N-O 3.42Å; L221-V234 PolarHBondContact O-N 3.06Å; L221-L236 HydrophobicContact CB-CD2 3.88Å; L221-L236 HydrophobicContact CB-CG 4.21Å
222L98Very high95.5Very high4 Ų459.8 Ų59.82%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-78132.3165-175.165.5000108.8Q159 M160 L201 Y217 F231 R232Q159-L222 VanDerWaalsContact CA-O 3.24Å; Q159-L222 WeakPolarHBondContact CA-O 3.28Å; M160-L222 HydrophobicContact CB-CB 4.34Å; M160-L222 HydrophobicContact CE-CD2 4.16Å; M160-L222 PolarHBondContact N-O 2.96Å; M160-L222 PolarHBondContact O-N 3.24Å; L201-L222 HydrophobicContact CD1-CD2 3.66Å; Y217-L222 HydrophobicContact CD1-CB 3.98Å; Y217-L222 HydrophobicContact CE1-CB 3.69Å; Y217-L222 HydrophobicContact CE1-CD1 4.05Å; Y217-L222 HydrophobicContact CE1-CD2 4.3Å; Y217-L222 HydrophobicContact CE1-CG 4.24Å; L222-F231 HydrophobicContact CD1-CB 4.38Å; L222-F231 HydrophobicContact CD1-CD1 4.04Å; L222-F231 HydrophobicContact CD2-CD1 4.34Å; L222-F231 HydrophobicContact CG-CD1 4.4Å; L222-R232 CarbonylContact C-O 3.56Å
223V96Very high95.5Very high34 Ų3460.2 Ų60.221%0.20632%0.319CS..EExtended strand (participates in β ladder)trans-121.3126171-176.40000107.3G158 Q159 L221 F231 R232 V234G158-V223 WeakPolarHBondContact O-CA 3.46Å; Q159-V223 HydrophobicContact CG-CG2 4.46Å; L221-V223 HydrophobicContact CD2-CG2 4.09Å; L221-V223 HydrophobicContact CG-CG2 4.07Å; V223-F231 CarbonylContact O-C 3.44Å; V223-F231 WeakPolarHBondContact O-CA 3.37Å; V223-R232 PolarHBondContact N-O 3Å; V223-R232 PolarHBondContact O-N 3.17Å; V223-V234 HydrophobicContact CG2-CG2 4.5Å
224F95.1Very high95.5Very high26 Ų2660.3 Ų60.311%0.11432%0.323CS..EExtended strand (participates in β ladder)trans-111126.5174.1167.8-120.7000108.2E157 G158 T197 I198 G226 S230 F231E157-F224 CarbonylContact C-O 3.31Å; E157-F224 VanDerWaalsContact CA-O 3.3Å; E157-F224 WeakPolarHBondContact CA-O 3.49Å; G158-F224 PolarHBondContact N-O 3.3Å; G158-F224 PolarHBondContact O-N 2.69Å; T197-F224 HydrophobicContact CG2-CD1 4.16Å; T197-F224 HydrophobicContact CG2-CE1 4.13Å; T197-F224 HydrophobicContact CG2-CG 4.45Å; T197-F224 HydrophobicContact CG2-CZ 4.41Å; I198-F224 HydrophobicContact CD1-CB 4.19Å; F224-G226 VanDerWaalsContact CZ-CA 3.46Å; F224-S230 WeakPolarHBondContact CA-O 3.31Å; F224-F231 HydrophobicContact CB-CD1 4.02Å; F224-F231 HydrophobicContact CB-CE1 3.81Å; F224-F231 HydrophobicContact CD2-CD1 4.01Å; F224-F231 HydrophobicContact CD2-CD2 4.24Å; F224-F231 AromaticContact CD2-CE1 3.52Å; F224-F231 HydrophobicContact CD2-CE1 3.52Å; F224-F231 AromaticContact CD2-CE2 3.77Å; F224-F231 HydrophobicContact CD2-CE2 3.77Å; F224-F231 HydrophobicContact CD2-CG 4.36Å; F224-F231 AromaticContact CD2-CZ 3.39Å; F224-F231 HydrophobicContact CD2-CZ 3.39Å; F224-F231 HydrophobicContact CE2-CE1 4.35Å; F224-F231 AromaticContact CE2-CE2 3.98Å; F224-F231 HydrophobicContact CE2-CE2 3.98Å; F224-F231 AromaticContact CE2-CZ 3.78Å; F224-F231 HydrophobicContact CE2-CZ 3.78Å; F224-F231 HydrophobicContact CG-CD1 4.39Å; F224-F231 AromaticContact CG-CE1 3.84Å; F224-F231 HydrophobicContact CG-CE1 3.84Å; F224-F231 HydrophobicContact CG-CZ 4.09Å
225D92.9Very high95.7Very high47 Ų4762.8 Ų62.825%0.25133%0.331SS..EExtended strand (participates in β ladder)trans-109.3109.7169.8-175.2-29.9000108.1L227 D228 G229 S230D225-L227 VanDerWaalsContact C-N 3.35Å; D225-L227 WeakPolarHBondContact OD1-CB 3.4Å; D225-L227 PolarHBondContact OD1-N 2.99Å; D225-D228 HydrophobicContact CB-CB 4.17Å; D225-D228 PolarHBondContact OD1-N 3.41Å; D225-G229 CarbonylContact O-C 3.49Å; D225-G229 VanDerWaalsContact O-CA 3.25Å; D225-G229 WeakPolarHBondContact O-CA 3.35Å; D225-G229 PolarHBondContact O-N 3.16Å; D225-S230 PolarHBondContact N-O 3.38Å; D225-S230 PolarHBondContact O-N 2.86Å
226G91.9Very high95.7Very high21 Ų2163.5 Ų63.522%0.21633%0.334CS..THydrogen-bonded Turntrans-76.3-17-178.800000114.8W156 F224W156-G226 WeakPolarHBondContact O-CA 3.48Å; W156-G226 PolarHBondContact O-N 3.49Å; F224-G226 VanDerWaalsContact CZ-CA 3.46Å
227L90Very high95.5Very high123 Ų12367.5 Ų67.564%0.64434%0.344SS*.THydrogen-bonded Turntrans-79-46.4174.7-75170.4000110.4W156 D225 G229W156-L227 HydrophobicContact CB-CD1 4.24Å; W156-L227 HydrophobicContact CB-CG 3.79Å; W156-L227 HydrophobicContact CD2-CD1 4.44Å; W156-L227 HydrophobicContact CD2-CD2 3.42Å; W156-L227 VanDerWaalsContact CD2-CD2 3.42Å; W156-L227 HydrophobicContact CD2-CG 3.55Å; W156-L227 HydrophobicContact CE3-CD2 3.63Å; W156-L227 HydrophobicContact CE3-CG 3.84Å; W156-L227 HydrophobicContact CG-CD1 4.02Å; W156-L227 HydrophobicContact CG-CD2 3.89Å; W156-L227 HydrophobicContact CG-CG 3.53Å; W156-L227 HydrophobicContact CH2-CD2 4.05Å; W156-L227 HydrophobicContact CZ2-CD2 3.87Å; W156-L227 HydrophobicContact CZ3-CD2 3.93Å; D225-L227 VanDerWaalsContact C-N 3.35Å; D225-L227 WeakPolarHBondContact OD1-CB 3.4Å; D225-L227 PolarHBondContact OD1-N 2.99Å; L227-G229 VanDerWaalsContact C-N 3.32Å
228D92.3Very high95.4Very high104 Ų10470.7 Ų70.756%0.55637%0.369SS*.THydrogen-bonded Turntrans-79.2-18.4177.6-171.648.9000112.1D225 S230D225-D228 HydrophobicContact CB-CB 4.17Å; D225-D228 PolarHBondContact OD1-N 3.41Å; D228-S230 PolarHBondContact O-N 3.06Å; D228-S230 WeakPolarHBondContact OD2-CB 3.44Å; D228-S230 PolarHBondContact OD2-OG 3.24Å
229G92.3Very high95.4Very high52 Ų5274 Ų7454%0.53638%0.377SS..THydrogen-bonded Turntrans7020.5-174.400000113.3D225 L227D225-G229 CarbonylContact O-C 3.49Å; D225-G229 VanDerWaalsContact O-CA 3.25Å; D225-G229 WeakPolarHBondContact O-CA 3.35Å; D225-G229 PolarHBondContact O-N 3.16Å; L227-G229 VanDerWaalsContact C-N 3.32Å
230S94.6Very high95.4Very high25 Ų2575.1 Ų75.118%0.17538%0.38CS..EExtended strand (participates in β ladder)trans-103147.9-170.968.60000113.7F224 D225 D228F224-S230 WeakPolarHBondContact CA-O 3.31Å; D225-S230 PolarHBondContact N-O 3.38Å; D225-S230 PolarHBondContact O-N 2.86Å; D228-S230 PolarHBondContact O-N 3.06Å; D228-S230 WeakPolarHBondContact OD2-CB 3.44Å; D228-S230 PolarHBondContact OD2-OG 3.24Å
231F96.5Very high95.3Very high113 Ų11372.8 Ų72.850%0.49638%0.38SS..EExtended strand (participates in β ladder)trans-114.9126.9170.5-70.6-90.4000109.3T197 L201 L222 V223 F224T197-F231 HydrophobicContact CG2-CE1 4.29Å; T197-F231 HydrophobicContact CG2-CZ 4.04Å; L201-F231 HydrophobicContact CD1-CE1 4Å; L222-F231 HydrophobicContact CD1-CB 4.38Å; L222-F231 HydrophobicContact CD1-CD1 4.04Å; L222-F231 HydrophobicContact CD2-CD1 4.34Å; L222-F231 HydrophobicContact CG-CD1 4.4Å; V223-F231 CarbonylContact O-C 3.44Å; V223-F231 WeakPolarHBondContact O-CA 3.37Å; F224-F231 HydrophobicContact CB-CD1 4.02Å; F224-F231 HydrophobicContact CB-CE1 3.81Å; F224-F231 HydrophobicContact CD2-CD1 4.01Å; F224-F231 HydrophobicContact CD2-CD2 4.24Å; F224-F231 AromaticContact CD2-CE1 3.52Å; F224-F231 HydrophobicContact CD2-CE1 3.52Å; F224-F231 AromaticContact CD2-CE2 3.77Å; F224-F231 HydrophobicContact CD2-CE2 3.77Å; F224-F231 HydrophobicContact CD2-CG 4.36Å; F224-F231 AromaticContact CD2-CZ 3.39Å; F224-F231 HydrophobicContact CD2-CZ 3.39Å; F224-F231 HydrophobicContact CE2-CE1 4.35Å; F224-F231 AromaticContact CE2-CE2 3.98Å; F224-F231 HydrophobicContact CE2-CE2 3.98Å; F224-F231 AromaticContact CE2-CZ 3.78Å; F224-F231 HydrophobicContact CE2-CZ 3.78Å; F224-F231 HydrophobicContact CG-CD1 4.39Å; F224-F231 AromaticContact CG-CE1 3.84Å; F224-F231 HydrophobicContact CG-CE1 3.84Å; F224-F231 HydrophobicContact CG-CZ 4.09Å
232R96.5Very high95.2Very high160 Ų16081.4 Ų81.460%0.60441%0.411SS*.EExtended strand (participates in β ladder)trans-123.1137.2176.1-60.8-177.8-173.4-1752.9109.2L222 V223L222-R232 CarbonylContact C-O 3.56Å; V223-R232 PolarHBondContact N-O 3Å; V223-R232 PolarHBondContact O-N 3.17Å
233T98Very high95.2Very high77 Ų7781.6 Ų81.647%0.47241%0.413SS..EExtended strand (participates in β ladder)trans-112.4120173.2-60.30000109.1Y217 R220 L221Y217-T233 HydrophobicContact CE1-CG2 4.5Å; R220-T233 HydrophobicContact CB-CG2 3.86Å; R220-T233 HydrophobicContact CG-CG2 4.3Å; L221-T233 CarbonylContact O-C 3.48Å; L221-T233 WeakPolarHBondContact O-CA 3.39Å
234V96.4Very high95.2Very high75 Ų7581.3 Ų81.346%0.45541%0.414SS..EExtended strand (participates in β ladder)trans-106.5132.3-178.9-174.40000109.2R220 L221 V223 L236R220-V234 CarbonylContact C-O 3.6Å; R220-V234 WeakPolarHBondContact CA-O 3.38Å; L221-V234 HydrophobicContact CB-CB 4.49Å; L221-V234 PolarHBondContact N-O 3.42Å; L221-V234 PolarHBondContact O-N 3.06Å; V223-V234 HydrophobicContact CG2-CG2 4.5Å; V234-L236 PolarHBondContact O-N 3.21Å
235K97.7Very high95.3Very high183 Ų18380.4 Ų80.480%0.79641%0.411SS*.EExtended strand (participates in β ladder)trans-71.6128.7173.2-172.3177.6-179.21790109.6
236L96.6Very high95.5Very high24 Ų2479.2 Ų79.213%0.12641%0.406CS..PPolyproline II helixtrans-81.5154.6175.6-66.3174.6000110.8T161 P169 L174 G219 L221 V234T161-L236 WeakPolarHBondContact OG1-CD1 3.46Å; P169-L236 HydrophobicContact CG-CB 3.96Å; P169-L236 HydrophobicContact CG-CD1 4.22Å; L174-L236 HydrophobicContact CD1-CD1 3.93Å; L174-L236 HydrophobicContact CD1-CD2 3.7Å; L174-L236 HydrophobicContact CD1-CG 4.36Å; L174-L236 HydrophobicContact CD2-CB 4.26Å; L174-L236 HydrophobicContact CD2-CD2 4.08Å; G219-L236 WeakPolarHBondContact O-CB 3.31Å; G219-L236 PolarHBondContact O-N 2.98Å; L221-L236 HydrophobicContact CB-CD2 3.88Å; L221-L236 HydrophobicContact CB-CG 4.21Å; V234-L236 PolarHBondContact O-N 3.21Å
237R93.8Very high95.7Very high125 Ų12578.6 Ų78.647%0.47240%0.399SS..PPolyproline II helixtrans-61.9151.7170.868.1178.4-177.6-147.34110.7P169 C173 L174P169-R237 WeakPolarHBondContact CB-O 3.37Å; P169-R237 WeakPolarHBondContact CD-O 3.27Å; P169-R237 WeakPolarHBondContact CG-O 3.37Å; C173-R237 PolarHBondContact O-NE 3.45Å; C173-R237 PolarHBondContact O-NH2 3.08Å; L174-R237 VanDerWaalsContact CA-NH2 3.33Å; L174-R237 HydrophobicContact CD2-CG 3.66Å; L174-R237 PolarHBondContact O-NH2 3.08Å
238P95.4Very high95.9Very high105 Ų10577.8 Ų77.868%0.68240%0.395SS*.PPolyproline II helixtrans-65.5173.517827.8-35.3000112.4D240P238-D240 PolarHBondContact O-N 3.12Å
239R96.8Very high96.1Very high102 Ų10277.6 Ų77.639%0.38540%0.402SS..PPolyproline II helixtrans-53.5130.4172.5-172.6-173.373.3116.71.5110.2C246 D248R239-C246 PolarHBondContact NH1-O 2.82Å; R239-D248 IonicContact CZ-OD1 3Å; R239-D248 VanDerWaalsContact CZ-OD1 3.24Å; R239-D248 IonicContact NH1-OD1 2.62Å; R239-D248 PolarHBondContact NH1-OD1 3.47Å; R239-D248 IonicContact NH2-OD1 3.78Å; R239-D248 PolarHBondContact NH2-OD1 2.91Å; R239-D248 IonicContact NH2-OD2 3.57Å
240D96.1Very high96.3Very high41 Ų4176.8 Ų76.822%0.21939%0.388CS..PPolyproline II helixtrans-82.3121.7169.8-172.8-15.4000109.4C173 P238 R242 C243C173-D240 PolarHBondContact SG-N 3.27Å; P238-D240 PolarHBondContact O-N 3.12Å; D240-R242 PolarHBondContact O-N 2.85Å; D240-R242 WeakPolarHBondContact OD1-CB 3.5Å; D240-R242 PolarHBondContact OD1-N 3.01Å; D240-R242 IonicContact OD1-NE 3.24Å; D240-C243 HydrophobicContact CB-CB 4.28Å; D240-C243 WeakPolarHBondContact O-CB 3.05Å; D240-C243 PolarHBondContact O-N 3.1Å
241S96.5Very high96.3Very high60 Ų6081.1 Ų81.142%0.4241%0.413SS..THydrogen-bonded Turntrans-61.8-21.6177.352.50000113G247 D248S241-G247 CarbonylContact O-C 3.52Å; S241-G247 WeakPolarHBondContact O-CA 3.33Å; S241-D248 VanDerWaalsContact CB-OD2 3.27Å; S241-D248 WeakPolarHBondContact CB-OD2 3.24Å; S241-D248 PolarHBondContact O-N 3.1Å
242R96.7Very high96.2Very high208 Ų20876.7 Ų76.779%0.78540%0.395SS*.THydrogen-bonded Turntrans-97.48.4177.3-57171.4-61.9176.43.8113.1D240 A244D240-R242 PolarHBondContact O-N 2.85Å; D240-R242 WeakPolarHBondContact OD1-CB 3.5Å; D240-R242 PolarHBondContact OD1-N 3.01Å; D240-R242 IonicContact OD1-NE 3.24Å; R242-A244 PolarHBondContact O-N 2.89Å
243C97.1Very high96Very high8 Ų878.1 Ų78.15%0.05440%0.4CS..  trans-57.9131179.2179.20000111C173 D240 V245 C246 G247C173-C243 VanDerWaalsContact SG-SG 3.67Å; D240-C243 HydrophobicContact CB-CB 4.28Å; D240-C243 WeakPolarHBondContact O-CB 3.05Å; D240-C243 PolarHBondContact O-N 3.1Å; C243-V245 PolarHBondContact O-N 2.81Å; C243-C246 VanDerWaalsContact SG-SG 3.6Å; C243-G247 VanDerWaalsContact O-CA 3.27Å; C243-G247 WeakPolarHBondContact O-CA 3.37Å; C243-G247 PolarHBondContact O-N 3.19Å
244A96Very high95.7Very high29 Ų2978 Ų7824%0.2440%0.402CS..THydrogen-bonded Turntrans-59.3-22.5-176.100000114R242 P250 T251 I252R242-A244 PolarHBondContact O-N 2.89Å; A244-P250 CarbonylContact O-C 3.58Å; A244-P250 WeakPolarHBondContact O-CA 3.48Å; A244-T251 PolarHBondContact O-N 3.36Å; A244-T251 PolarHBondContact O-OG1 3.28Å; A244-I252 HydrophobicContact CB-CD1 3.75Å; A244-I252 HydrophobicContact CB-CG1 4.07Å; A244-I252 PolarHBondContact O-N 3.17Å
245V96.4Very high95.2Very high7 Ų775.7 Ų75.74%0.04239%0.389CS..THydrogen-bonded Turntrans-115.2-39.8-177.373.60000114.4D139 V142 I143 R172 C243 P250 I252D139-V245 HydrophobicContact CB-CG2 4.2Å; V142-V245 HydrophobicContact CB-CG1 4.32Å; V142-V245 HydrophobicContact CB-CG2 4Å; V142-V245 HydrophobicContact CG1-CB 4.44Å; V142-V245 HydrophobicContact CG1-CG1 4.16Å; V142-V245 HydrophobicContact CG1-CG2 3.81Å; V142-V245 HydrophobicContact CG2-CG1 4.19Å; I143-V245 HydrophobicContact CG1-CG2 4.33Å; R172-V245 HydrophobicContact CB-CG1 4.28Å; R172-V245 HydrophobicContact CG-CG1 4.48Å; C243-V245 PolarHBondContact O-N 2.81Å; V245-P250 WeakPolarHBondContact O-CB 3.24Å; V245-I252 HydrophobicContact CB-CB 4.36Å; V245-I252 HydrophobicContact CG2-CB 4.42Å; V245-I252 HydrophobicContact CG2-CG2 4.38Å
246C96.9Very high94.6Very high22 Ų2270 Ų7015%0.14937%0.367CS..THydrogen-bonded Turntrans-115.67.7-178.474.70000114.3V142 C170 C173 R239 C243V142-C246 HydrophobicContact CG1-CB 3.68Å; V142-C246 HydrophobicContact CG2-CB 4.48Å; C170-C246 PolarHBondContact SG-SG 2.78Å; C173-C246 PolarHBondContact SG-SG 3.38Å; R239-C246 PolarHBondContact NH1-O 2.82Å; C243-C246 VanDerWaalsContact SG-SG 3.6Å
247G96.1Very high93.8Very high7 Ų771.7 Ų71.77%0.07238%0.376CS..SBendtrans-69.7-178.617600000112.4S241 C243 S249 P250S241-G247 CarbonylContact O-C 3.52Å; S241-G247 WeakPolarHBondContact O-CA 3.33Å; C243-G247 VanDerWaalsContact O-CA 3.27Å; C243-G247 WeakPolarHBondContact O-CA 3.37Å; C243-G247 PolarHBondContact O-N 3.19Å; G247-S249 PolarHBondContact O-N 3.32Å; G247-P250 WeakPolarHBondContact O-CD 3.32Å; G247-P250 WeakPolarHBondContact O-CG 3.48Å
248D95.9Very high92.8Very high106 Ų10666.4 Ų66.457%0.56736%0.356SS*.SBendtrans-74.5-16.9-177.3-59.4-25.9000112.3R239 S241R239-D248 IonicContact CZ-OD1 3Å; R239-D248 VanDerWaalsContact CZ-OD1 3.24Å; R239-D248 IonicContact NH1-OD1 2.62Å; R239-D248 PolarHBondContact NH1-OD1 3.47Å; R239-D248 IonicContact NH2-OD1 3.78Å; R239-D248 PolarHBondContact NH2-OD1 2.91Å; R239-D248 IonicContact NH2-OD2 3.57Å; S241-D248 VanDerWaalsContact CB-OD2 3.27Å; S241-D248 WeakPolarHBondContact CB-OD2 3.24Å; S241-D248 PolarHBondContact O-N 3.1Å
249S96.3Very high91Very high100 Ų10067 Ų6770%0.69935%0.349SS*.SBendtrans-137.977.9173.2-640000110.6G247 T251G247-S249 PolarHBondContact O-N 3.32Å; S249-T251 PolarHBondContact O-N 3.15Å
250P95.5Very high89Confident36 Ų3670.3 Ų70.323%0.23437%0.367CS..  trans-63129.8-177.1-22.233.6000112.6A244 V245 G247 R253A244-P250 CarbonylContact O-C 3.58Å; A244-P250 WeakPolarHBondContact O-CA 3.48Å; V245-P250 WeakPolarHBondContact O-CB 3.24Å; G247-P250 WeakPolarHBondContact O-CD 3.32Å; G247-P250 WeakPolarHBondContact O-CG 3.48Å; P250-R253 PolarHBondContact O-NE 3.45Å; P250-R253 VanDerWaalsContact O-NE 3.11Å; P250-R253 PolarHBondContact O-NH2 3.5Å
251T95.7Very high86.8Confident116 Ų11675.4 Ų75.471%0.71239%0.387SS*.SBendtrans-93.5-25.3173.454.20000112.2A244 S249A244-T251 PolarHBondContact O-N 3.36Å; A244-T251 PolarHBondContact O-OG1 3.28Å; S249-T251 PolarHBondContact O-N 3.15Å
252I93.7Very high84.3Confident20 Ų2075.1 Ų75.110%0.10338%0.384CS..  trans-97112.5173.4-58.9173000108.1D139 A244 V245 L256D139-I252 HydrophobicContact CB-CG2 4.49Å; A244-I252 HydrophobicContact CB-CD1 3.75Å; A244-I252 HydrophobicContact CB-CG1 4.07Å; A244-I252 PolarHBondContact O-N 3.17Å; V245-I252 HydrophobicContact CB-CB 4.36Å; V245-I252 HydrophobicContact CG2-CB 4.42Å; V245-I252 HydrophobicContact CG2-CG2 4.38Å; I252-L256 HydrophobicContact CD1-CD1 3.75Å; I252-L256 HydrophobicContact CG1-CD1 4.05Å; I252-L256 HydrophobicContact CG2-CD1 4.21Å; I252-L256 HydrophobicContact CG2-CG 4.18Å
253R92.3Very high81.4Confident190 Ų19068.5 Ų68.572%0.71738%0.381SS*.  trans-122.2-6.2-177.9-60.6-177.6-179.4-143.60.4113.7P250P250-R253 PolarHBondContact O-NE 3.45Å; P250-R253 VanDerWaalsContact O-NE 3.11Å; P250-R253 PolarHBondContact O-NH2 3.5Å
254S91.7Very high78.5Confident73 Ų7370.7 Ų70.751%0.5140%0.396SS..SBendtrans-139.6159.3177.9600000109.5L256S254-L256 PolarHBondContact O-N 2.93Å
255P86.5Confident75.8Confident28 Ų2875.3 Ų75.318%0.18242%0.424CS..  trans-56.2133.7175.3-21.933.4000111.2S111 L115 L136 V140S111-P255 WeakPolarHBondContact O-CB 3.4Å; L115-P255 HydrophobicContact CB-CG 4.26Å; L115-P255 HydrophobicContact CD1-CG 4.25Å; L136-P255 HydrophobicContact CD1-CB 3.8Å; V140-P255 HydrophobicContact CG2-CB 4.16Å; V140-P255 HydrophobicContact CG2-CG 3.92Å
256L85.2Confident73.6Confident64 Ų6478.7 Ų78.734%0.33544%0.441SS..  trans-93.4147.2174.4-61.9175.4000109.9I252 S254 Y258I252-L256 HydrophobicContact CD1-CD1 3.75Å; I252-L256 HydrophobicContact CG1-CD1 4.05Å; I252-L256 HydrophobicContact CG2-CD1 4.21Å; I252-L256 HydrophobicContact CG2-CG 4.18Å; S254-L256 PolarHBondContact O-N 2.93Å; L256-Y258 HydrophobicContact CB-CE1 4.27Å; L256-Y258 HydrophobicContact CB-CE2 3.86Å; L256-Y258 WeakPolarHBondContact O-CD2 3.23Å; L256-Y258 WeakPolarHBondContact O-CE2 3.38Å; L256-Y258 PolarHBondContact O-N 2.96Å
257N79.6Confident71.5Confident58 Ų5879.8 Ų79.831%0.3145%0.449SS..  trans-83.7102172.9-173.7-38.3000109.7E259 K260 F261N257-E259 PolarHBondContact OD1-N 3.27Å; N257-K260 PolarHBondContact OD1-N 3.15Å; N257-F261 WeakPolarHBondContact O-CD2 3.31Å; N257-F261 VanDerWaalsContact O-CE2 3.32Å; N257-F261 WeakPolarHBondContact O-CE2 3.45Å
258Y71.5Confident70.1Confident15 Ų1581 Ų816%0.05945%0.454CS..  trans-81.6-25.1-177.7-64.2-81.7000113.8Y135 L136 D139 R172 P178 L256 K260 F261Y135-Y258 HydrophobicContact CG-CE1 4.33Å; L136-Y258 HydrophobicContact CB-CD2 3.81Å; L136-Y258 HydrophobicContact CB-CE2 3.78Å; L136-Y258 HydrophobicContact CD1-CE2 4.23Å; D139-Y258 PolarHBondContact OD2-OH 3.09Å; R172-Y258 PolarHBondContact NH2-OH 3.1Å; P178-Y258 HydrophobicContact CG-CD1 4.22Å; P178-Y258 HydrophobicContact CG-CE1 4.01Å; L256-Y258 HydrophobicContact CB-CE1 4.27Å; L256-Y258 HydrophobicContact CB-CE2 3.86Å; L256-Y258 WeakPolarHBondContact O-CD2 3.23Å; L256-Y258 WeakPolarHBondContact O-CE2 3.38Å; L256-Y258 PolarHBondContact O-N 2.96Å; Y258-K260 VanDerWaalsContact C-N 3.26Å; Y258-K260 PolarHBondContact O-N 3.18Å; Y258-F261 WeakPolarHBondContact O-CB 3.42Å; Y258-F261 PolarHBondContact O-N 3.11Å; Y258-F261 VanDerWaalsContact O-N 3.08Å
259E59.1Low69.2Low116 Ų11678.8 Ų78.854%0.54245%0.446SS..G310 helixtrans-65.1-32.2-179.1-68.4-170.1154.200111.8N257 F261 C262N257-E259 PolarHBondContact OD1-N 3.27Å; E259-F261 PolarHBondContact O-N 3.44Å; E259-C262 WeakPolarHBondContact O-CB 3.5Å; E259-C262 PolarHBondContact O-N 3.42Å
260K53.4Low68.5Low172 Ų17274.1 Ų74.175%0.74841%0.414SS*.G310 helixtrans-63.5-19.9174.3-75.2-174.3178.6-178.60114.2N257 Y258 C262N257-K260 PolarHBondContact OD1-N 3.15Å; Y258-K260 VanDerWaalsContact C-N 3.26Å; Y258-K260 PolarHBondContact O-N 3.18Å; K260-C262 PolarHBondContact O-N 3.34Å
261F49.8Very low67.9Low149 Ų14973.6 Ų73.665%0.65442%0.415SS*.G310 helixtrans-79.8-7.9175-66.5-92000112.5P181 N257 Y258 E259P181-F261 WeakPolarHBondContact CG-O 3.38Å; N257-F261 WeakPolarHBondContact O-CD2 3.31Å; N257-F261 VanDerWaalsContact O-CE2 3.32Å; N257-F261 WeakPolarHBondContact O-CE2 3.45Å; Y258-F261 WeakPolarHBondContact O-CB 3.42Å; Y258-F261 PolarHBondContact O-N 3.11Å; Y258-F261 VanDerWaalsContact O-N 3.08Å; E259-F261 PolarHBondContact O-N 3.44Å
262C44.1Very low67.2Low53 Ų5371.5 Ų71.536%0.35840%0.397SS..SBendtrans-103.8-10.3-168-630000117.2P181 E259 K260P181-C262 HydrophobicContact CB-CB 4.2Å; P181-C262 VanDerWaalsContact CG-CA 3.46Å; P181-C262 HydrophobicContact CG-CB 4.02Å; E259-C262 WeakPolarHBondContact O-CB 3.5Å; E259-C262 PolarHBondContact O-N 3.42Å; K260-C262 PolarHBondContact O-N 3.34Å
263G35.6Very low66.9Low69 Ų6970.5 Ų70.571%0.71139%0.392SS*.  trans-97.7115.3-177.300000113.2
264S37.1Very low66.6Low54 Ų5466.3 Ų66.338%0.37838%0.379SS..  trans-97.9140.2168-173.90000110.8L266S264-L266 VanDerWaalsContact C-N 3.27Å; S264-L266 PolarHBondContact O-N 3.1Å
265P40.4Very low66.3Low126 Ų12667.8 Ų67.882%0.81838%0.381SS*.SBendtrans-80.616.4-175.531.5-35.7000115.5
266L49.9Very low66.2Low79 Ų7968.7 Ų68.741%0.41438%0.383SS..  trans-101.620.3-167.3-64.5178.2000115.4S264S264-L266 VanDerWaalsContact C-N 3.27Å; S264-L266 PolarHBondContact O-N 3.1Å
267C52Low66.1Low44 Ų4467.2 Ų67.230%0.29738%0.375SS..EExtended strand (participates in β ladder)trans-100.2130.2-161.3-78.40000113.6Q341 D361 V363C267-Q341 PolarHBondContact SG-NE2 3.42Å; C267-D361 PolarHBondContact SG-OD2 3.49Å; C267-D361 VanDerWaalsContact SG-OD2 3.38Å; C267-V363 HydrophobicContact CB-CG2 3.35Å
268D66.4Low66.3Low33 Ų3369 Ų6918%0.17639%0.392CS..EExtended strand (participates in β ladder)trans-114.5150.7171.6-91.4-6.1000112Q272 F331 K360 D361 V363D268-Q272 PolarHBondContact OD1-OE1 3.42Å; D268-Q272 VanDerWaalsContact OD1-OE1 3.1Å; D268-Q272 PolarHBondContact OD2-NE2 3.49Å; D268-Q272 PolarHBondContact OD2-OE1 3.35Å; D268-Q272 VanDerWaalsContact OD2-OE1 3.09Å; D268-F331 HydrophobicContact CB-CE1 3.74Å; D268-F331 HydrophobicContact CB-CZ 4.37Å; D268-K360 HydrophobicContact CB-CD 4.5Å; D268-K360 WeakPolarHBondContact OD2-CD 3.34Å; D268-K360 WeakPolarHBondContact OD2-CE 2.87Å; D268-K360 IonicContact OD2-NZ 3.84Å; D268-K360 PolarHBondContact OD2-NZ 3.4Å; D268-D361 PolarHBondContact N-O 2.95Å; D268-V363 VanDerWaalsContact O-CG2 3.31Å; D268-V363 WeakPolarHBondContact O-CG2 3.46Å; D268-V363 PolarHBondContact O-N 3.42Å
269S77.6Confident66.7Low60 Ų6072.1 Ų72.142%0.4242%0.416SS..  trans-75.4159-176.771.60000113.5G271 Q272 L273S269-G271 PolarHBondContact O-N 2.75Å; S269-Q272 PolarHBondContact O-N 3.3Å; S269-Q272 PolarHBondContact OG-N 3.17Å; S269-L273 PolarHBondContact O-N 3.21Å
270V82.2Confident67.3Low2 Ų271.2 Ų71.21%0.01242%0.415CS..Hα-helixtrans-61.8-28.3172.5-69.60000113.1L273 K274 V362 A368 W369 E372 I373V270-L273 PolarHBondContact O-N 3.1Å; V270-K274 PolarHBondContact O-N 2.63Å; V270-V362 HydrophobicContact CB-CG1 4.5Å; V270-V362 HydrophobicContact CG1-CG1 3.49Å; V270-V362 VanDerWaalsContact CG1-CG1 3.49Å; V270-A368 HydrophobicContact CG1-CB 3.67Å; V270-A368 HydrophobicContact CG2-CB 4.36Å; V270-W369 HydrophobicContact CB-CE3 4.33Å; V270-W369 HydrophobicContact CG1-CB 4.3Å; V270-E372 HydrophobicContact CG2-CB 3.8Å; V270-E372 HydrophobicContact CG2-CG 4.27Å; V270-E372 VanDerWaalsContact CG2-OE2 3.24Å; V270-E372 WeakPolarHBondContact CG2-OE2 3.34Å; V270-I373 HydrophobicContact CB-CG1 3.92Å; V270-I373 HydrophobicContact CG2-CD1 4.22Å; V270-I373 HydrophobicContact CG2-CG1 3.89Å
271G81.6Confident68.6Low25 Ų2567.4 Ų67.426%0.25840%0.403SS..Hα-helixtrans-61.1-44.2173.100000112.3S269 L273 K274 D275S269-G271 PolarHBondContact O-N 2.75Å; G271-L273 VanDerWaalsContact C-N 3.33Å; G271-L273 PolarHBondContact O-N 3.34Å; G271-K274 WeakPolarHBondContact O-CB 3.43Å; G271-K274 PolarHBondContact O-N 3.18Å; G271-K274 VanDerWaalsContact O-N 3.13Å; G271-D275 PolarHBondContact O-N 3.08Å; G271-D275 VanDerWaalsContact O-N 3.09Å
272Q82.3Confident70.3Confident71 Ų7160.3 Ų60.333%0.33237%0.371SS..Hα-helixtrans-68.1-33.7178.9-165.6170.20.700112.7D268 S269 K274 M276 F331D268-Q272 PolarHBondContact OD1-OE1 3.42Å; D268-Q272 VanDerWaalsContact OD1-OE1 3.1Å; D268-Q272 PolarHBondContact OD2-NE2 3.49Å; D268-Q272 PolarHBondContact OD2-OE1 3.35Å; D268-Q272 VanDerWaalsContact OD2-OE1 3.09Å; S269-Q272 PolarHBondContact O-N 3.3Å; S269-Q272 PolarHBondContact OG-N 3.17Å; Q272-K274 VanDerWaalsContact C-N 3.35Å; Q272-M276 WeakPolarHBondContact O-CB 3.31Å; Q272-M276 WeakPolarHBondContact O-CG 3.08Å; Q272-M276 PolarHBondContact O-N 3.26Å; Q272-M276 VanDerWaalsContact O-N 3.12Å; Q272-F331 HydrophobicContact CG-CZ 4.28Å
273L85.6Confident72.4Confident0 Ų058 Ų580%036%0.355CS..Hα-helixtrans-62-43.1170.9177.564.3000111.1S269 V270 G271 M276 L277 V284 F298 F331 I333 V362 W369S269-L273 PolarHBondContact O-N 3.21Å; V270-L273 PolarHBondContact O-N 3.1Å; G271-L273 VanDerWaalsContact C-N 3.33Å; G271-L273 PolarHBondContact O-N 3.34Å; L273-M276 PolarHBondContact O-N 3.39Å; L273-L277 HydrophobicContact CD1-CD1 4.1Å; L273-L277 HydrophobicContact CD1-CG 4.17Å; L273-L277 HydrophobicContact CD2-CD1 4.41Å; L273-L277 HydrophobicContact CG-CD1 3.85Å; L273-L277 HydrophobicContact CG-CG 4.37Å; L273-L277 WeakPolarHBondContact O-CB 3.46Å; L273-L277 WeakPolarHBondContact O-CG 3.42Å; L273-L277 PolarHBondContact O-N 2.91Å; L273-V284 HydrophobicContact CD1-CG2 3.92Å; L273-F298 HydrophobicContact CD2-CE1 4.46Å; L273-F298 HydrophobicContact CD2-CZ 4.26Å; L273-F331 HydrophobicContact CB-CD1 4.31Å; L273-F331 HydrophobicContact CB-CE1 4.4Å; L273-F331 HydrophobicContact CD1-CB 3.6Å; L273-F331 HydrophobicContact CD1-CD1 4.07Å; L273-F331 HydrophobicContact CD1-CD2 4.04Å; L273-F331 HydrophobicContact CD1-CG 3.64Å; L273-I333 HydrophobicContact CD2-CD1 4.16Å; L273-V362 HydrophobicContact CD2-CG1 4.27Å; L273-V362 HydrophobicContact CD2-CG2 3.81Å; L273-W369 HydrophobicContact CB-CZ3 4.25Å; L273-W369 HydrophobicContact CD2-CE3 3.9Å; L273-W369 HydrophobicContact CD2-CZ3 3.93Å; L273-W369 HydrophobicContact CG-CE3 4.44Å; L273-W369 HydrophobicContact CG-CZ3 3.99Å
274K88Confident74.9Confident102 Ų10254.7 Ų54.744%0.44332%0.321SS..Hα-helixtrans-59.7-48.5178.9-173.7-167.6-169.8162.10111.4V270 G271 Q272 M276 L277 S278 W369 I373V270-K274 PolarHBondContact O-N 2.63Å; G271-K274 WeakPolarHBondContact O-CB 3.43Å; G271-K274 PolarHBondContact O-N 3.18Å; G271-K274 VanDerWaalsContact O-N 3.13Å; Q272-K274 VanDerWaalsContact C-N 3.35Å; K274-M276 VanDerWaalsContact C-N 3.33Å; K274-M276 PolarHBondContact O-N 2.87Å; K274-L277 PolarHBondContact O-N 3.37Å; K274-S278 PolarHBondContact O-N 3.24Å; K274-S278 VanDerWaalsContact O-N 3.1Å; K274-W369 HydrophobicContact CB-CH2 3.87Å; K274-W369 HydrophobicContact CB-CZ3 3.82Å; K274-W369 HydrophobicContact CG-CH2 4.11Å; K274-I373 HydrophobicContact CB-CD1 4.39Å; K274-I373 HydrophobicContact CB-CG2 4.07Å; K274-I373 HydrophobicContact CD-CD1 4.15Å; K274-I373 HydrophobicContact CD-CG2 3.56Å; K274-I373 HydrophobicContact CG-CG2 3.81Å
275D84.9Confident77.4Confident103 Ų10352.1 Ų52.155%0.55130%0.303SS*.Hα-helixtrans-60.7-45.6-179.7-64.8-19.4000110.5G271 L277 S278 C279G271-D275 PolarHBondContact O-N 3.08Å; G271-D275 VanDerWaalsContact O-N 3.09Å; D275-L277 PolarHBondContact O-N 3.12Å; D275-S278 WeakPolarHBondContact O-CB 3.46Å; D275-S278 PolarHBondContact O-N 2.91Å; D275-S278 VanDerWaalsContact O-N 3.15Å; D275-S278 PolarHBondContact O-OG 3.02Å; D275-C279 PolarHBondContact O-N 2.89Å
276M83.2Confident79.7Confident48 Ų4846.1 Ų46.124%0.23626%0.264CS..Hα-helixtrans-65.1-37.5178.5-70.1-86.4-74.200112.9Q272 L273 K274 S278 C279 D280 V282 S329 F331Q272-M276 WeakPolarHBondContact O-CB 3.31Å; Q272-M276 WeakPolarHBondContact O-CG 3.08Å; Q272-M276 PolarHBondContact O-N 3.26Å; Q272-M276 VanDerWaalsContact O-N 3.12Å; L273-M276 PolarHBondContact O-N 3.39Å; K274-M276 VanDerWaalsContact C-N 3.33Å; K274-M276 PolarHBondContact O-N 2.87Å; M276-S278 VanDerWaalsContact C-N 3.26Å; M276-S278 PolarHBondContact O-N 3.29Å; M276-C279 PolarHBondContact O-N 3.24Å; M276-D280 PolarHBondContact O-N 2.94Å; M276-V282 HydrophobicContact CB-CB 4Å; M276-V282 HydrophobicContact CB-CG1 3.84Å; M276-V282 HydrophobicContact CB-CG2 4.28Å; M276-V282 HydrophobicContact CE-CB 4Å; M276-V282 HydrophobicContact CE-CG2 3.78Å; M276-S329 WeakPolarHBondContact CE-OG 3.29Å; M276-F331 HydrophobicContact CB-CE2 4.36Å; M276-F331 HydrophobicContact CE-CE2 3.8Å; M276-F331 HydrophobicContact CG-CE2 3.99Å; M276-F331 HydrophobicContact CG-CZ 4.42Å
277L84.6Confident81.5Confident32 Ų3242.5 Ų42.517%0.16825%0.246CC..Hα-helixtrans-64.1-32.9174.9-77.7167.4000111.8L273 K274 D275 C279 D280 V282 V284 F298 W369L273-L277 HydrophobicContact CD1-CD1 4.1Å; L273-L277 HydrophobicContact CD1-CG 4.17Å; L273-L277 HydrophobicContact CD2-CD1 4.41Å; L273-L277 HydrophobicContact CG-CD1 3.85Å; L273-L277 HydrophobicContact CG-CG 4.37Å; L273-L277 WeakPolarHBondContact O-CB 3.46Å; L273-L277 WeakPolarHBondContact O-CG 3.42Å; L273-L277 PolarHBondContact O-N 2.91Å; K274-L277 PolarHBondContact O-N 3.37Å; D275-L277 PolarHBondContact O-N 3.12Å; L277-C279 VanDerWaalsContact C-N 3.35Å; L277-D280 PolarHBondContact O-N 3.15Å; L277-V282 HydrophobicContact CD2-CG1 3.95Å; L277-V282 HydrophobicContact CG-CG1 4.18Å; L277-V284 HydrophobicContact CD2-CG2 3.8Å; L277-F298 HydrophobicContact CD1-CD1 3.99Å; L277-F298 HydrophobicContact CD1-CE1 4.15Å; L277-W369 HydrophobicContact CD1-CH2 3.79Å; L277-W369 HydrophobicContact CD1-CZ3 4.18Å
278S83.1Confident83.1Confident95 Ų9540.5 Ų40.566%0.66423%0.232SC*.Hα-helixtrans-72-27.2178.776.80000113.8K274 D275 M276 D280K274-S278 PolarHBondContact O-N 3.24Å; K274-S278 VanDerWaalsContact O-N 3.1Å; D275-S278 WeakPolarHBondContact O-CB 3.46Å; D275-S278 PolarHBondContact O-N 2.91Å; D275-S278 VanDerWaalsContact O-N 3.15Å; D275-S278 PolarHBondContact O-OG 3.02Å; M276-S278 VanDerWaalsContact C-N 3.26Å; M276-S278 PolarHBondContact O-N 3.29Å; S278-D280 VanDerWaalsContact C-N 3.33Å
279C79.7Confident83.9Confident81 Ų8139.7 Ų39.755%0.54723%0.228SC..THydrogen-bonded Turntrans-88.92.1177.7-61.90000113.5D275 M276 L277 D281D275-C279 PolarHBondContact O-N 2.89Å; M276-C279 PolarHBondContact O-N 3.24Å; L277-C279 VanDerWaalsContact C-N 3.35Å; C279-D281 PolarHBondContact O-N 3.42Å
280D72Confident84.2Confident98 Ų9840.4 Ų40.452%0.52423%0.233SC..THydrogen-bonded Turntrans57.39.7-178.2-80.7-28.3000117M276 L277 S278 V282 R300 F327M276-D280 PolarHBondContact O-N 2.94Å; L277-D280 PolarHBondContact O-N 3.15Å; S278-D280 VanDerWaalsContact C-N 3.33Å; D280-V282 PolarHBondContact O-N 3.22Å; D280-R300 PolarHBondContact O-NH1 3.35Å; D280-R300 PolarHBondContact O-NH2 3.27Å; D280-R300 IonicContact OD1-CZ 3.66Å; D280-R300 IonicContact OD1-NH1 2.61Å; D280-R300 PolarHBondContact OD1-NH1 2.8Å; D280-F327 WeakPolarHBondContact O-CE1 3.36Å
281D80Confident84.2Confident92 Ų9245.1 Ų45.149%0.49226%0.255SS..  trans-96.425.2-171.5-81.4-25000114.1C279 F327C279-D281 PolarHBondContact O-N 3.42Å; D281-F327 WeakPolarHBondContact O-CD2 3.48Å; D281-F327 WeakPolarHBondContact O-CG 3.42Å
282V85.9Confident84.5Confident0 Ų044.5 Ų44.50%025%0.245CC..  trans-144.7142.7-173.277.10000113.6M276 L277 D280 F331M276-V282 HydrophobicContact CB-CB 4Å; M276-V282 HydrophobicContact CB-CG1 3.84Å; M276-V282 HydrophobicContact CB-CG2 4.28Å; M276-V282 HydrophobicContact CE-CB 4Å; M276-V282 HydrophobicContact CE-CG2 3.78Å; L277-V282 HydrophobicContact CD2-CG1 3.95Å; L277-V282 HydrophobicContact CG-CG1 4.18Å; D280-V282 PolarHBondContact O-N 3.22Å; V282-F331 HydrophobicContact CG2-CD2 3.44Å; V282-F331 VanDerWaalsContact CG2-CD2 3.44Å; V282-F331 HydrophobicContact CG2-CE2 3.99Å
283L87.4Confident84.7Confident3 Ų342.9 Ų42.92%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-98.2136168.6179.165.2000109.3I285 I302 I322 F325 F327 S329 A330 F331 W357L283-I285 HydrophobicContact CD2-CD1 4.32Å; L283-I285 HydrophobicContact CD2-CG1 4.07Å; L283-I285 HydrophobicContact CG-CG1 4.17Å; L283-I302 HydrophobicContact CD1-CD1 4.46Å; L283-I302 HydrophobicContact CD1-CG1 4.26Å; L283-I302 HydrophobicContact CD1-CG2 4.14Å; L283-I302 HydrophobicContact CD2-CD1 4.01Å; L283-I322 HydrophobicContact CD2-CG2 3.74Å; L283-F325 HydrophobicContact CD1-CE2 4.02Å; L283-F325 HydrophobicContact CD1-CZ 4.04Å; L283-F325 HydrophobicContact CD2-CE2 4.48Å; L283-F327 HydrophobicContact CB-CE2 3.97Å; L283-F327 VanDerWaalsContact N-CE2 3.3Å; L283-S329 PolarHBondContact N-O 3.32Å; L283-A330 HydrophobicContact CB-CB 4.35Å; L283-A330 CarbonylContact O-C 3.56Å; L283-A330 VanDerWaalsContact O-CA 3.24Å; L283-A330 WeakPolarHBondContact O-CA 3.35Å; L283-F331 PolarHBondContact O-N 3.41Å; L283-W357 HydrophobicContact CB-CH2 4.35Å; L283-W357 HydrophobicContact CB-CZ3 4.08Å; L283-W357 HydrophobicContact CD2-CH2 4.32Å; L283-W357 HydrophobicContact CD2-CZ3 4.18Å
284V89.7Confident84.8Confident0 Ų048.6 Ų48.60%027%0.267CS..EExtended strand (participates in β ladder)trans-101.1124.8168.7-177.80000108.9L273 L277 F298 A301 I302 F331 I333L273-V284 HydrophobicContact CD1-CG2 3.92Å; L277-V284 HydrophobicContact CD2-CG2 3.8Å; V284-F298 HydrophobicContact CG1-CD2 4.09Å; V284-A301 HydrophobicContact CB-CB 3.91Å; V284-A301 HydrophobicContact CG1-CB 3.87Å; V284-A301 CarbonylContact O-C 3.49Å; V284-A301 WeakPolarHBondContact O-CA 3.48Å; V284-I302 PolarHBondContact O-N 3.09Å; V284-F331 CarbonylContact C-O 3.54Å; V284-F331 WeakPolarHBondContact CA-O 3.16Å; V284-I333 HydrophobicContact CG1-CB 4.5Å; V284-I333 HydrophobicContact CG1-CG2 3.69Å
285I89.1Confident84.8Confident0 Ų047.4 Ų47.40%027%0.265CS..EExtended strand (participates in β ladder)trans-105.9106.2175.4-57.7-175.1000106.6L283 I302 S304 I309 V318 A330 F331 V332 I333 L347 F359L283-I285 HydrophobicContact CD2-CD1 4.32Å; L283-I285 HydrophobicContact CD2-CG1 4.07Å; L283-I285 HydrophobicContact CG-CG1 4.17Å; I285-I302 HydrophobicContact CB-CG1 4.43Å; I285-I302 HydrophobicContact CG1-CD1 4.1Å; I285-I302 HydrophobicContact CG1-CG1 4.09Å; I285-S304 WeakPolarHBondContact CG2-OG 3.48Å; I285-I309 HydrophobicContact CG2-CD1 4.48Å; I285-V318 HydrophobicContact CD1-CG1 4.38Å; I285-A330 HydrophobicContact CD1-CB 4.01Å; I285-A330 HydrophobicContact CG1-CB 4.34Å; I285-F331 PolarHBondContact N-O 2.6Å; I285-V332 HydrophobicContact CB-CB 4.47Å; I285-V332 HydrophobicContact CB-CG1 4.21Å; I285-V332 HydrophobicContact CB-CG2 4.19Å; I285-V332 HydrophobicContact CD1-CG2 4.5Å; I285-V332 HydrophobicContact CG2-CG1 4.19Å; I285-V332 CarbonylContact O-C 3.5Å; I285-V332 VanDerWaalsContact O-CA 3.26Å; I285-V332 WeakPolarHBondContact O-CA 3.45Å; I285-V332 WeakPolarHBondContact O-CG1 3.26Å; I285-I333 PolarHBondContact O-N 3.34Å; I285-L347 HydrophobicContact CD1-CD1 4.13Å; I285-F359 HydrophobicContact CD1-CD1 4.23Å; I285-F359 HydrophobicContact CD1-CE1 3.99Å
286D89.3Confident85Confident0 Ų043.3 Ų43.30%025%0.246CC..EExtended strand (participates in β ladder)trans-90.7117.2177.8-166.1-39.1000109.6R288 W293 A301 I302 S304 I333D286-R288 WeakPolarHBondContact OD1-CB 3.3Å; D286-R288 WeakPolarHBondContact OD1-CG 3.25Å; D286-R288 PolarHBondContact OD1-N 2.86Å; D286-R288 IonicContact OD1-NE 3.08Å; D286-R288 PolarHBondContact OD1-NE 2.87Å; D286-R288 VanDerWaalsContact OD1-NE 3.08Å; D286-R288 IonicContact OD2-CZ 3.21Å; D286-R288 IonicContact OD2-NE 2.93Å; D286-R288 PolarHBondContact OD2-NE 2.91Å; D286-R288 IonicContact OD2-NH2 3.32Å; D286-R288 PolarHBondContact OD2-NH2 3.33Å; D286-W293 HydrophobicContact CB-CE3 3.61Å; D286-W293 HydrophobicContact CB-CZ3 3.38Å; D286-A301 HydrophobicContact CB-CB 4.29Å; D286-I302 PolarHBondContact N-O 3.47Å; D286-S304 CarbonylContact O-C 3.52Å; D286-S304 PolarHBondContact O-N 3Å; D286-S304 PolarHBondContact O-OG 3.42Å; D286-I333 WeakPolarHBondContact CA-O 3.36Å; D286-I333 HydrophobicContact CB-CG2 4.14Å
287C86.2Confident85.3Confident3 Ų345 Ų452%0.0225%0.253CS..  trans-100.511.7-177.771.40000113.9S304 W306 I309 V332 I333 C334C287-S304 WeakPolarHBondContact CA-O 3.16Å; C287-W306 HydrophobicContact CB-CB 3.97Å; C287-W306 WeakPolarHBondContact O-CB 3.46Å; C287-W306 PolarHBondContact O-N 3.11Å; C287-I309 HydrophobicContact CB-CD1 4.45Å; C287-V332 HydrophobicContact CB-CG1 4.33Å; C287-I333 PolarHBondContact N-O 3.35Å; C287-I333 PolarHBondContact SG-O 2.64Å; C287-I333 VanDerWaalsContact SG-O 3.35Å; C287-C334 WeakPolarHBondContact SG-CB 3.44Å
288R87.3Confident85.5Confident3 Ų344.3 Ų44.31%0.01125%0.249CC..SBendtrans-66.7154.2173.2-63.6179.6-67.2156.41.6111.7D286 Q292 G296 Y305 Y380D286-R288 WeakPolarHBondContact OD1-CB 3.3Å; D286-R288 WeakPolarHBondContact OD1-CG 3.25Å; D286-R288 PolarHBondContact OD1-N 2.86Å; D286-R288 IonicContact OD1-NE 3.08Å; D286-R288 PolarHBondContact OD1-NE 2.87Å; D286-R288 VanDerWaalsContact OD1-NE 3.08Å; D286-R288 IonicContact OD2-CZ 3.21Å; D286-R288 IonicContact OD2-NE 2.93Å; D286-R288 PolarHBondContact OD2-NE 2.91Å; D286-R288 IonicContact OD2-NH2 3.32Å; D286-R288 PolarHBondContact OD2-NH2 3.33Å; R288-Q292 HydrophobicContact CB-CB 3.91Å; R288-Q292 PolarHBondContact NH1-O 2.81Å; R288-G296 PolarHBondContact NH1-O 3.03Å; R288-G296 PolarHBondContact NH2-O 2.89Å; R288-Y305 WeakPolarHBondContact O-CA 3.44Å; R288-Y380 WeakPolarHBondContact CD-OH 3.28Å; R288-Y380 PolarHBondContact NH1-OH 3.32Å; R288-Y380 VanDerWaalsContact NH1-OH 3.09Å
289P81.4Confident85.4Confident16 Ų1645.7 Ų45.710%0.10426%0.259CS..  trans-56.8156.2168.9-15.923000113H291 Q292 W293 Y305P289-H291 VanDerWaalsContact C-N 3.31Å; P289-H291 WeakPolarHBondContact CB-CE1 3.42Å; P289-H291 PolarHBondContact O-N 2.99Å; P289-Q292 HydrophobicContact CG-CG 4.43Å; P289-Q292 WeakPolarHBondContact O-CB 3.12Å; P289-Q292 PolarHBondContact O-N 3.47Å; P289-W293 PolarHBondContact O-N 2.92Å; P289-Y305 HydrophobicContact CB-CD2 3.9Å; P289-Y305 HydrophobicContact CB-CE2 3.66Å; P289-Y305 HydrophobicContact CG-CD2 3.98Å; P289-Y305 HydrophobicContact CG-CE2 3.44Å; P289-Y305 VanDerWaalsContact CG-CE2 3.44Å
290S84.3Confident85.3Confident74 Ų7445.7 Ų45.752%0.51725%0.247SC..Hα-helixtrans-54.2-45.7178.953.90000112.5Q292 W293 D294S290-Q292 PolarHBondContact O-N 2.98Å; S290-Q292 VanDerWaalsContact O-N 3.14Å; S290-W293 WeakPolarHBondContact O-CA 3.25Å; S290-W293 WeakPolarHBondContact O-CB 3.33Å; S290-W293 PolarHBondContact O-N 2.86Å; S290-D294 PolarHBondContact O-N 3.45Å; S290-D294 VanDerWaalsContact O-OD2 3.12Å
291H82.6Confident86Confident102 Ų10241.7 Ų41.747%0.47223%0.227SC..Hα-helixtrans-63.1-22.9178.761.7-95.4000114.1P289 I295P289-H291 VanDerWaalsContact C-N 3.31Å; P289-H291 WeakPolarHBondContact CB-CE1 3.42Å; P289-H291 PolarHBondContact O-N 2.99Å; H291-I295 WeakPolarHBondContact O-CG1 3.35Å
292Q87.2Confident86.1Confident12 Ų1239.1 Ų39.16%0.05621%0.213CC..Hα-helixtrans-86.7-34.9172.4-77.1-176.426.500111.8Q189 R288 P289 S290 D294 I295 Y380Q189-Q292 PolarHBondContact O-NE2 3.38Å; R288-Q292 HydrophobicContact CB-CB 3.91Å; R288-Q292 PolarHBondContact NH1-O 2.81Å; P289-Q292 HydrophobicContact CG-CG 4.43Å; P289-Q292 WeakPolarHBondContact O-CB 3.12Å; P289-Q292 PolarHBondContact O-N 3.47Å; S290-Q292 PolarHBondContact O-N 2.98Å; S290-Q292 VanDerWaalsContact O-N 3.14Å; Q292-D294 VanDerWaalsContact C-N 3.27Å; Q292-D294 PolarHBondContact O-N 3.3Å; Q292-I295 WeakPolarHBondContact O-CB 3.3Å; Q292-I295 PolarHBondContact O-N 2.84Å; Q292-Y380 HydrophobicContact CB-CE2 4.37Å; Q292-Y380 WeakPolarHBondContact CB-OH 3.43Å; Q292-Y380 HydrophobicContact CG-CE2 3.73Å; Q292-Y380 PolarHBondContact OE1-OH 3.34Å
293W87Confident85.8Confident36 Ų3641.8 Ų41.814%0.13623%0.232CC..Hα-helixtrans-60.3-39172.2170.2-83.8000111.9D286 P289 S290 I295 G296 H297 A301D286-W293 HydrophobicContact CB-CE3 3.61Å; D286-W293 HydrophobicContact CB-CZ3 3.38Å; P289-W293 PolarHBondContact O-N 2.92Å; S290-W293 WeakPolarHBondContact O-CA 3.25Å; S290-W293 WeakPolarHBondContact O-CB 3.33Å; S290-W293 PolarHBondContact O-N 2.86Å; W293-I295 PolarHBondContact O-N 3.04Å; W293-G296 CarbonylContact O-C 3.51Å; W293-G296 PolarHBondContact O-N 2.65Å; W293-H297 AromaticContact CD1-ND1 3.85Å; W293-H297 HydrophobicContact CD2-CB 3.75Å; W293-H297 AromaticContact CD2-CG 3.75Å; W293-H297 AromaticContact CD2-ND1 3.91Å; W293-H297 AromaticContact CE2-CD2 3.59Å; W293-H297 AromaticContact CE2-CE1 3.75Å; W293-H297 AromaticContact CE2-CG 3.39Å; W293-H297 AromaticContact CE2-ND1 3.49Å; W293-H297 AromaticContact CE2-NE2 3.81Å; W293-H297 HydrophobicContact CE3-CB 3.59Å; W293-H297 HydrophobicContact CG-CB 4.49Å; W293-H297 HydrophobicContact CH2-CB 3.79Å; W293-H297 AromaticContact CH2-CD2 3.52Å; W293-H297 AromaticContact CH2-CG 3.73Å; W293-H297 HydrophobicContact CZ2-CB 3.96Å; W293-H297 AromaticContact CZ2-CD2 3.15Å; W293-H297 WeakPolarHBondContact CZ2-CD2 3.36Å; W293-H297 AromaticContact CZ2-CE1 3.97Å; W293-H297 AromaticContact CZ2-CG 3.41Å; W293-H297 VanDerWaalsContact CZ2-CG 3.41Å; W293-H297 AromaticContact CZ2-ND1 3.9Å; W293-H297 AromaticContact CZ2-NE2 3.54Å; W293-H297 HydrophobicContact CZ3-CB 3.6Å; W293-H297 AromaticContact NE1-CE1 3.47Å; W293-H297 PolarHBondContact NE1-CE1 3.36Å; W293-H297 AromaticContact NE1-CG 3.85Å; W293-H297 AromaticContact NE1-ND1 3.42Å; W293-H297 PolarHBondContact NE1-ND1 2.99Å; W293-H297 AromaticContact NE1-NE2 3.89Å; W293-H297 PolarHBondContact O-ND1 3.08Å; W293-A301 HydrophobicContact CH2-CB 3.69Å; W293-A301 WeakPolarHBondContact CH2-O 3.04Å; W293-A301 HydrophobicContact CZ3-CB 3.66Å
294D88.3Confident84.7Confident120 Ų12041.9 Ų41.964%0.64223%0.233SC*.THydrogen-bonded Turntrans-67.7-21.2-179.9-62.8-25.5000112.8S290 Q292 G296S290-D294 PolarHBondContact O-N 3.45Å; S290-D294 VanDerWaalsContact O-OD2 3.12Å; Q292-D294 VanDerWaalsContact C-N 3.27Å; Q292-D294 PolarHBondContact O-N 3.3Å; D294-G296 VanDerWaalsContact C-N 3.35Å
295I88.6Confident83.4Confident78 Ų7845 Ų4540%0.425%0.245SC..THydrogen-bonded Turntrans-69-36174.2-62.7170.9000110.8H291 Q292 W293 P378 Y380H291-I295 WeakPolarHBondContact O-CG1 3.35Å; Q292-I295 WeakPolarHBondContact O-CB 3.3Å; Q292-I295 PolarHBondContact O-N 2.84Å; W293-I295 PolarHBondContact O-N 3.04Å; I295-P378 HydrophobicContact CG2-CB 3.84Å; I295-P378 HydrophobicContact CG2-CG 4.36Å; I295-Y380 HydrophobicContact CB-CD1 4.37Å; I295-Y380 HydrophobicContact CB-CE1 4.26Å; I295-Y380 HydrophobicContact CD1-CD1 3.76Å; I295-Y380 HydrophobicContact CD1-CD2 4Å; I295-Y380 HydrophobicContact CD1-CE1 3.92Å; I295-Y380 HydrophobicContact CD1-CE2 4.16Å; I295-Y380 HydrophobicContact CD1-CG 3.8Å; I295-Y380 HydrophobicContact CG2-CD1 3.74Å; I295-Y380 HydrophobicContact CG2-CE1 4.02Å
296G88.4Confident81.9Confident16 Ų1645.7 Ų45.717%0.16525%0.248CC..  trans165.1142.2-178.900000110.9R288 W293 D294 F377R288-G296 PolarHBondContact NH1-O 3.03Å; R288-G296 PolarHBondContact NH2-O 2.89Å; W293-G296 CarbonylContact O-C 3.51Å; W293-G296 PolarHBondContact O-N 2.65Å; D294-G296 VanDerWaalsContact C-N 3.35Å; G296-F377 WeakPolarHBondContact O-CZ 3.46Å
297H90.3Very high80Confident83 Ų8349.1 Ų49.138%0.38427%0.269SS..  trans-152.2161.7-177.355.4-88000111W293W293-H297 AromaticContact CD1-ND1 3.85Å; W293-H297 HydrophobicContact CD2-CB 3.75Å; W293-H297 AromaticContact CD2-CG 3.75Å; W293-H297 AromaticContact CD2-ND1 3.91Å; W293-H297 AromaticContact CE2-CD2 3.59Å; W293-H297 AromaticContact CE2-CE1 3.75Å; W293-H297 AromaticContact CE2-CG 3.39Å; W293-H297 AromaticContact CE2-ND1 3.49Å; W293-H297 AromaticContact CE2-NE2 3.81Å; W293-H297 HydrophobicContact CE3-CB 3.59Å; W293-H297 HydrophobicContact CG-CB 4.49Å; W293-H297 HydrophobicContact CH2-CB 3.79Å; W293-H297 AromaticContact CH2-CD2 3.52Å; W293-H297 AromaticContact CH2-CG 3.73Å; W293-H297 HydrophobicContact CZ2-CB 3.96Å; W293-H297 AromaticContact CZ2-CD2 3.15Å; W293-H297 WeakPolarHBondContact CZ2-CD2 3.36Å; W293-H297 AromaticContact CZ2-CE1 3.97Å; W293-H297 AromaticContact CZ2-CG 3.41Å; W293-H297 VanDerWaalsContact CZ2-CG 3.41Å; W293-H297 AromaticContact CZ2-ND1 3.9Å; W293-H297 AromaticContact CZ2-NE2 3.54Å; W293-H297 HydrophobicContact CZ3-CB 3.6Å; W293-H297 AromaticContact NE1-CE1 3.47Å; W293-H297 PolarHBondContact NE1-CE1 3.36Å; W293-H297 AromaticContact NE1-CG 3.85Å; W293-H297 AromaticContact NE1-ND1 3.42Å; W293-H297 PolarHBondContact NE1-ND1 2.99Å; W293-H297 AromaticContact NE1-NE2 3.89Å; W293-H297 PolarHBondContact O-ND1 3.08Å
298F87.2Confident78.3Confident19 Ų1950.7 Ų50.78%0.08328%0.278CS..  trans-69.5137.7174.4-55.6-95.8000109.9L273 L277 V284 R300 A301 I333 V366 W369L273-F298 HydrophobicContact CD2-CE1 4.46Å; L273-F298 HydrophobicContact CD2-CZ 4.26Å; L277-F298 HydrophobicContact CD1-CD1 3.99Å; L277-F298 HydrophobicContact CD1-CE1 4.15Å; V284-F298 HydrophobicContact CG1-CD2 4.09Å; F298-R300 PolarHBondContact O-N 2.98Å; F298-R300 VanDerWaalsContact O-N 3.13Å; F298-A301 HydrophobicContact CB-CB 3.91Å; F298-A301 WeakPolarHBondContact O-CB 3.42Å; F298-A301 PolarHBondContact O-N 3.3Å; F298-I333 HydrophobicContact CE2-CD1 3.77Å; F298-I333 HydrophobicContact CE2-CG2 4.29Å; F298-I333 HydrophobicContact CZ-CD1 3.99Å; F298-V366 HydrophobicContact CE2-CG1 4.07Å; F298-W369 HydrophobicContact CD1-CZ2 4.48Å; F298-W369 AromaticContact CE1-CD2 3.65Å; F298-W369 HydrophobicContact CE1-CD2 3.65Å; F298-W369 AromaticContact CE1-CE2 3.44Å; F298-W369 VanDerWaalsContact CE1-CE2 3.44Å; F298-W369 HydrophobicContact CE1-CE3 4.07Å; F298-W369 HydrophobicContact CE1-CG 4.13Å; F298-W369 HydrophobicContact CE1-CH2 4.06Å; F298-W369 AromaticContact CE1-CZ2 3.68Å; F298-W369 HydrophobicContact CE1-CZ2 3.68Å; F298-W369 HydrophobicContact CE1-CZ3 4.24Å; F298-W369 AromaticContact CE1-NE1 3.76Å; F298-W369 HydrophobicContact CZ-CB 4.45Å; F298-W369 AromaticContact CZ-CD2 3.75Å; F298-W369 HydrophobicContact CZ-CD2 3.75Å; F298-W369 AromaticContact CZ-CE2 3.98Å; F298-W369 HydrophobicContact CZ-CE3 4.21Å; F298-W369 AromaticContact CZ-CG 3.82Å; F298-W369 HydrophobicContact CZ-CG 3.82Å
299S82.2Confident76.8Confident123 Ų12350.6 Ų50.686%0.8628%0.278SS*.THydrogen-bonded Turntrans-56.1-31.7179.254.60000113.7
300R77.9Confident75.5Confident82 Ų8254.8 Ų54.831%0.30930%0.296SS..THydrogen-bonded Turntrans-96.77.6177.3-58.5-166.773.5-170.4-4.7114D280 F298D280-R300 PolarHBondContact O-NH1 3.35Å; D280-R300 PolarHBondContact O-NH2 3.27Å; D280-R300 IonicContact OD1-CZ 3.66Å; D280-R300 IonicContact OD1-NH1 2.61Å; D280-R300 PolarHBondContact OD1-NH1 2.8Å; F298-R300 PolarHBondContact O-N 2.98Å; F298-R300 VanDerWaalsContact O-N 3.13Å
301A85.3Confident73.9Confident13 Ų1358.1 Ų58.111%0.10730%0.301CS..EExtended strand (participates in β ladder)trans-78.515117600000111.6V284 D286 W293 F298V284-A301 HydrophobicContact CB-CB 3.91Å; V284-A301 HydrophobicContact CG1-CB 3.87Å; V284-A301 CarbonylContact O-C 3.49Å; V284-A301 WeakPolarHBondContact O-CA 3.48Å; D286-A301 HydrophobicContact CB-CB 4.29Å; W293-A301 HydrophobicContact CH2-CB 3.69Å; W293-A301 WeakPolarHBondContact CH2-O 3.04Å; W293-A301 HydrophobicContact CZ3-CB 3.66Å; F298-A301 HydrophobicContact CB-CB 3.91Å; F298-A301 WeakPolarHBondContact O-CB 3.42Å; F298-A301 PolarHBondContact O-N 3.3Å
302I83Confident72.4Confident38 Ų3858.8 Ų58.820%0.19531%0.313CS..EExtended strand (participates in β ladder)trans-106.1128.8164.658.1167.8000109.5L283 V284 I285 D286 S304 V321L283-I302 HydrophobicContact CD1-CD1 4.46Å; L283-I302 HydrophobicContact CD1-CG1 4.26Å; L283-I302 HydrophobicContact CD1-CG2 4.14Å; L283-I302 HydrophobicContact CD2-CD1 4.01Å; V284-I302 PolarHBondContact O-N 3.09Å; I285-I302 HydrophobicContact CB-CG1 4.43Å; I285-I302 HydrophobicContact CG1-CD1 4.1Å; I285-I302 HydrophobicContact CG1-CG1 4.09Å; D286-I302 PolarHBondContact N-O 3.47Å; I302-S304 PolarHBondContact O-N 3.13Å; I302-V321 HydrophobicContact CD1-CG1 3.95Å; I302-V321 HydrophobicContact CG2-CG1 4.16Å
303S78.6Confident70.5Confident56 Ų5663.8 Ų63.839%0.39234%0.344SS..EExtended strand (participates in β ladder)trans-76120.9176-169.80000110.2
304S64.7Low69.3Low5 Ų566 Ų664%0.03535%0.352CS..  trans-144.372.8-179.857.70000110.1I285 D286 C287 I302 W306 I309I285-S304 WeakPolarHBondContact CG2-OG 3.48Å; D286-S304 CarbonylContact O-C 3.52Å; D286-S304 PolarHBondContact O-N 3Å; D286-S304 PolarHBondContact O-OG 3.42Å; C287-S304 WeakPolarHBondContact CA-O 3.16Å; I302-S304 PolarHBondContact O-N 3.13Å; S304-W306 PolarHBondContact O-N 3.07Å; S304-I309 WeakPolarHBondContact O-CD1 3.42Å
305Y62.9Low68.2Low65 Ų6560.9 Ų60.926%0.25533%0.325SS..  trans-43.7120.9178.3-178.9-143.2000112.8R288 P289 T307 V308 I309 R314R288-Y305 WeakPolarHBondContact O-CA 3.44Å; P289-Y305 HydrophobicContact CB-CD2 3.9Å; P289-Y305 HydrophobicContact CB-CE2 3.66Å; P289-Y305 HydrophobicContact CG-CD2 3.98Å; P289-Y305 HydrophobicContact CG-CE2 3.44Å; P289-Y305 VanDerWaalsContact CG-CE2 3.44Å; Y305-T307 VanDerWaalsContact CD1-OG1 3.27Å; Y305-T307 WeakPolarHBondContact CD1-OG1 3.43Å; Y305-T307 WeakPolarHBondContact CE1-OG1 3.33Å; Y305-T307 PolarHBondContact O-N 3.05Å; Y305-V308 HydrophobicContact CD1-CG2 3.96Å; Y305-V308 WeakPolarHBondContact O-CA 3.39Å; Y305-V308 WeakPolarHBondContact O-CB 3.44Å; Y305-V308 PolarHBondContact O-N 3.35Å; Y305-I309 PolarHBondContact O-N 2.91Å; Y305-R314 PolarHBondContact O-NH1 3.38Å
306W56.9Low67.3Low15 Ų1560.1 Ų60.16%0.05733%0.33CS..Hα-helixtrans-54-45.4-164.8171.9-119.4000114.9C287 S304 V308 I309 Q310 Q339 V342 A343 C346C287-W306 HydrophobicContact CB-CB 3.97Å; C287-W306 WeakPolarHBondContact O-CB 3.46Å; C287-W306 PolarHBondContact O-N 3.11Å; S304-W306 PolarHBondContact O-N 3.07Å; W306-V308 PolarHBondContact O-N 2.74Å; W306-I309 HydrophobicContact CE3-CB 3.76Å; W306-I309 HydrophobicContact CE3-CD1 3.96Å; W306-I309 HydrophobicContact CE3-CG1 4.19Å; W306-I309 HydrophobicContact CE3-CG2 4.23Å; W306-I309 HydrophobicContact CZ3-CB 3.72Å; W306-I309 HydrophobicContact CZ3-CD1 4.3Å; W306-I309 HydrophobicContact CZ3-CG2 3.7Å; W306-I309 PolarHBondContact O-N 3.12Å; W306-Q310 HydrophobicContact CH2-CG 4.27Å; W306-Q310 HydrophobicContact CZ2-CG 4.1Å; W306-Q339 VanDerWaalsContact NE1-OE1 3.11Å; W306-V342 HydrophobicContact CH2-CB 4.24Å; W306-V342 HydrophobicContact CH2-CG1 4.12Å; W306-V342 WeakPolarHBondContact CH2-O 3.49Å; W306-V342 HydrophobicContact CZ2-CB 3.54Å; W306-V342 HydrophobicContact CZ2-CG1 3.31Å; W306-A343 HydrophobicContact CD2-CB 4.18Å; W306-A343 HydrophobicContact CE3-CB 3.35Å; W306-A343 HydrophobicContact CH2-CB 4.02Å; W306-A343 HydrophobicContact CZ3-CB 3.31Å; W306-C346 HydrophobicContact CH2-CB 3.63Å; W306-C346 HydrophobicContact CZ3-CB 4.27Å
307T50.8Low66.3Low73 Ų7363 Ų6345%0.44835%0.345SS..Hα-helixtrans-59.3-14.7178.945.60000112.9Y305Y305-T307 VanDerWaalsContact CD1-OG1 3.27Å; Y305-T307 WeakPolarHBondContact CD1-OG1 3.43Å; Y305-T307 WeakPolarHBondContact CE1-OG1 3.33Å; Y305-T307 PolarHBondContact O-N 3.05Å
308V50.1Low65.4Low36 Ų3659.3 Ų59.322%0.21833%0.328CS..Hα-helixtrans-98.7-23.4175.4-160.80000112.5Y305 W306 Q310 K311 R314Y305-V308 HydrophobicContact CD1-CG2 3.96Å; Y305-V308 WeakPolarHBondContact O-CA 3.39Å; Y305-V308 WeakPolarHBondContact O-CB 3.44Å; Y305-V308 PolarHBondContact O-N 3.35Å; W306-V308 PolarHBondContact O-N 2.74Å; V308-Q310 PolarHBondContact O-N 3.09Å; V308-K311 WeakPolarHBondContact O-CB 3.12Å; V308-K311 PolarHBondContact O-N 3.22Å; V308-R314 HydrophobicContact CB-CG 4.33Å; V308-R314 VanDerWaalsContact CB-CZ 3.49Å; V308-R314 VanDerWaalsContact CB-NH1 3.33Å; V308-R314 HydrophobicContact CG1-CB 4.3Å; V308-R314 HydrophobicContact CG1-CG 3.62Å
309I54.5Low64.8Low0 Ų062.3 Ų62.30%034%0.342CS..Hα-helixtrans-61.8-32.1173-59.9-171.9000111.1I285 C287 S304 Y305 W306 K311 L315 L347I285-I309 HydrophobicContact CG2-CD1 4.48Å; C287-I309 HydrophobicContact CB-CD1 4.45Å; S304-I309 WeakPolarHBondContact O-CD1 3.42Å; Y305-I309 PolarHBondContact O-N 2.91Å; W306-I309 HydrophobicContact CE3-CB 3.76Å; W306-I309 HydrophobicContact CE3-CD1 3.96Å; W306-I309 HydrophobicContact CE3-CG1 4.19Å; W306-I309 HydrophobicContact CE3-CG2 4.23Å; W306-I309 HydrophobicContact CZ3-CB 3.72Å; W306-I309 HydrophobicContact CZ3-CD1 4.3Å; W306-I309 HydrophobicContact CZ3-CG2 3.7Å; W306-I309 PolarHBondContact O-N 3.12Å; I309-K311 VanDerWaalsContact C-N 3.26Å; I309-K311 PolarHBondContact O-N 2.85Å; I309-L315 WeakPolarHBondContact O-CD1 3.38Å; I309-L347 HydrophobicContact CG2-CD2 4.36Å
310Q54.4Low64.5Low104 Ų10459 Ų5949%0.48632%0.323SS..THydrogen-bonded Turntrans-65-28.7173.2-75-172.3-22.900113.3W306 V308W306-Q310 HydrophobicContact CH2-CG 4.27Å; W306-Q310 HydrophobicContact CZ2-CG 4.1Å; V308-Q310 PolarHBondContact O-N 3.09Å
311K51.3Low64.3Low144 Ų14457 Ų5763%0.62632%0.319SS*.SBendtrans-78.5127.5176.8-68.7-177.3176.8-178.90109.3V308 I309 V313 R314V308-K311 WeakPolarHBondContact O-CB 3.12Å; V308-K311 PolarHBondContact O-N 3.22Å; I309-K311 VanDerWaalsContact C-N 3.26Å; I309-K311 PolarHBondContact O-N 2.85Å; K311-V313 PolarHBondContact O-N 2.9Å; K311-R314 PolarHBondContact O-N 2.93Å
312T50.3Low63.9Low116 Ų11656.6 Ų56.671%0.71232%0.315SS*.Hα-helixtrans-45.5-33.3-175.6-37.10000114R314 L315T312-R314 VanDerWaalsContact C-N 3.34Å; T312-R314 PolarHBondContact O-N 2.9Å; T312-L315 PolarHBondContact O-N 2.92Å
313V48.4Very low63.6Low117 Ų11758.5 Ų58.571%0.70933%0.332SS*.Hα-helixtrans-60.6-34.9-178.4-176.90000113.2K311 T317K311-V313 PolarHBondContact O-N 2.9Å; V313-T317 PolarHBondContact O-OG1 3.35Å
314R61.1Low63.6Low83 Ų8362 Ų6231%0.31335%0.346SS..Hα-helixtrans-89.8-20.6178.6-82.9-163.6-169169.9-2.4114.8Y305 V308 K311 T312 A316 T317 V318Y305-R314 PolarHBondContact O-NH1 3.38Å; V308-R314 HydrophobicContact CB-CG 4.33Å; V308-R314 VanDerWaalsContact CB-CZ 3.49Å; V308-R314 VanDerWaalsContact CB-NH1 3.33Å; V308-R314 HydrophobicContact CG1-CB 4.3Å; V308-R314 HydrophobicContact CG1-CG 3.62Å; K311-R314 PolarHBondContact O-N 2.93Å; T312-R314 VanDerWaalsContact C-N 3.34Å; T312-R314 PolarHBondContact O-N 2.9Å; R314-A316 VanDerWaalsContact C-N 3.29Å; R314-A316 PolarHBondContact O-N 2.86Å; R314-T317 WeakPolarHBondContact O-CB 3.5Å; R314-T317 PolarHBondContact O-N 2.73Å; R314-V318 WeakPolarHBondContact O-CG2 3.16Å; R314-V318 PolarHBondContact O-N 3.21Å
315L66.2Low64.1Low13 Ų1364.4 Ų64.47%0.06836%0.356CS..Hα-helixtrans-62.2-41.2172.1-84.8148.3000111.2I309 T312 T317 V318 Q319 L347 K350 L351I309-L315 WeakPolarHBondContact O-CD1 3.38Å; T312-L315 PolarHBondContact O-N 2.92Å; L315-T317 VanDerWaalsContact C-N 3.32Å; L315-T317 PolarHBondContact O-N 3.29Å; L315-V318 PolarHBondContact O-N 3.49Å; L315-Q319 VanDerWaalsContact O-CB 3.29Å; L315-Q319 WeakPolarHBondContact O-CB 3.44Å; L315-Q319 PolarHBondContact O-N 2.87Å; L315-L347 HydrophobicContact CD2-CD2 4.33Å; L315-K350 HydrophobicContact CD1-CD 3.32Å; L315-K350 HydrophobicContact CD2-CB 4.07Å; L315-K350 HydrophobicContact CD2-CD 3.98Å; L315-K350 HydrophobicContact CG-CD 4.28Å; L315-L351 HydrophobicContact CD2-CD1 4.23Å; L315-L351 HydrophobicContact CD2-CG 4.25Å
316A69.3Low64.8Low61 Ų6166.5 Ų66.550%0.50438%0.38SS..Hα-helixtrans-61.4-40.1172.900000111.9R314 Q319 A320R314-A316 VanDerWaalsContact C-N 3.29Å; R314-A316 PolarHBondContact O-N 2.86Å; A316-Q319 PolarHBondContact O-N 3.45Å; A316-A320 WeakPolarHBondContact O-CB 3.37Å; A316-A320 PolarHBondContact O-N 3.48Å
317T67.7Low65.9Low78 Ų7867.1 Ų67.148%0.47938%0.383SS..Hα-helixtrans-63.7-46.6174.9-45.80000111.9V313 R314 L315 Q319 A320 V321V313-T317 PolarHBondContact O-OG1 3.35Å; R314-T317 WeakPolarHBondContact O-CB 3.5Å; R314-T317 PolarHBondContact O-N 2.73Å; L315-T317 VanDerWaalsContact C-N 3.32Å; L315-T317 PolarHBondContact O-N 3.29Å; T317-Q319 VanDerWaalsContact C-N 3.29Å; T317-Q319 PolarHBondContact O-N 3.43Å; T317-A320 PolarHBondContact O-N 2.86Å; T317-V321 VanDerWaalsContact O-CG2 3.28Å; T317-V321 WeakPolarHBondContact O-CG2 3.35Å; T317-V321 PolarHBondContact O-N 3.38Å
318V70.6Confident67.4Low5 Ų568.3 Ų68.33%0.0338%0.38CS..Hα-helixtrans-59.4-45.6175.2173.60000109.4I285 R314 L315 A320 V321 I322 L347 L351I285-V318 HydrophobicContact CD1-CG1 4.38Å; R314-V318 WeakPolarHBondContact O-CG2 3.16Å; R314-V318 PolarHBondContact O-N 3.21Å; L315-V318 PolarHBondContact O-N 3.49Å; V318-A320 PolarHBondContact O-N 3.02Å; V318-V321 PolarHBondContact O-N 3.39Å; V318-I322 HydrophobicContact CG1-CG2 4.11Å; V318-I322 WeakPolarHBondContact O-CG1 3.26Å; V318-I322 WeakPolarHBondContact O-CG2 3.41Å; V318-I322 PolarHBondContact O-N 2.88Å; V318-L347 HydrophobicContact CG1-CD2 3.96Å; V318-L351 HydrophobicContact CG1-CD1 4.15Å
319Q74.4Confident69.2Low82 Ų8267.3 Ų67.338%0.38337%0.374SS..Hα-helixtrans-61.5-40.4179.4-162.7165.12.700112.9L315 A316 T317 I322 S323 L351L315-Q319 VanDerWaalsContact O-CB 3.29Å; L315-Q319 WeakPolarHBondContact O-CB 3.44Å; L315-Q319 PolarHBondContact O-N 2.87Å; A316-Q319 PolarHBondContact O-N 3.45Å; T317-Q319 VanDerWaalsContact C-N 3.29Å; T317-Q319 PolarHBondContact O-N 3.43Å; Q319-I322 VanDerWaalsContact O-CG1 3.23Å; Q319-I322 WeakPolarHBondContact O-CG1 3.46Å; Q319-S323 PolarHBondContact O-N 3.28Å; Q319-S323 VanDerWaalsContact O-N 3.16Å; Q319-S323 PolarHBondContact O-OG 2.85Å; Q319-L351 HydrophobicContact CB-CD2 4.17Å; Q319-L351 HydrophobicContact CG-CD2 4.03Å
320A75.5Confident70.8Confident54 Ų5467.3 Ų67.345%0.44637%0.374SS..Hα-helixtrans-69.8-32.717600000113A316 T317 V318 S323 N324A316-A320 WeakPolarHBondContact O-CB 3.37Å; A316-A320 PolarHBondContact O-N 3.48Å; T317-A320 PolarHBondContact O-N 2.86Å; V318-A320 PolarHBondContact O-N 3.02Å; A320-S323 VanDerWaalsContact C-OG 3.31Å; A320-S323 WeakPolarHBondContact CA-OG 3.26Å; A320-S323 PolarHBondContact O-OG 3.34Å; A320-N324 PolarHBondContact O-ND2 3.31Å
321V75Confident72.5Confident40 Ų4062.4 Ų62.424%0.24235%0.351CS..Hα-helixtrans-75.1-46176.9171.70000110.5I302 T317 V318 S323 N324 F325I302-V321 HydrophobicContact CD1-CG1 3.95Å; I302-V321 HydrophobicContact CG2-CG1 4.16Å; T317-V321 VanDerWaalsContact O-CG2 3.28Å; T317-V321 WeakPolarHBondContact O-CG2 3.35Å; T317-V321 PolarHBondContact O-N 3.38Å; V318-V321 PolarHBondContact O-N 3.39Å; V321-S323 PolarHBondContact O-N 3.06Å; V321-N324 WeakPolarHBondContact O-CB 3.44Å; V321-N324 PolarHBondContact O-N 3.44Å; V321-N324 VanDerWaalsContact O-N 3.1Å; V321-F325 HydrophobicContact CG1-CE2 3.92Å; V321-F325 VanDerWaalsContact O-CD2 3.26Å; V321-F325 WeakPolarHBondContact O-CD2 3.47Å; V321-F325 WeakPolarHBondContact O-CE2 3.33Å
322I76.6Confident74.3Confident3 Ų355.5 Ų55.52%0.01532%0.321CS..Hα-helixtrans-64.5-28.8179.968.2-179.8000112L283 V318 Q319 N324 F325 L351 T355 W357 F359L283-I322 HydrophobicContact CD2-CG2 3.74Å; V318-I322 HydrophobicContact CG1-CG2 4.11Å; V318-I322 WeakPolarHBondContact O-CG1 3.26Å; V318-I322 WeakPolarHBondContact O-CG2 3.41Å; V318-I322 PolarHBondContact O-N 2.88Å; Q319-I322 VanDerWaalsContact O-CG1 3.23Å; Q319-I322 WeakPolarHBondContact O-CG1 3.46Å; I322-N324 PolarHBondContact O-N 2.97Å; I322-N324 VanDerWaalsContact O-N 3.17Å; I322-F325 PolarHBondContact O-N 2.95Å; I322-L351 HydrophobicContact CD1-CD1 4.2Å; I322-T355 HydrophobicContact CD1-CG2 4.5Å; I322-W357 HydrophobicContact CB-CD2 4.06Å; I322-W357 HydrophobicContact CB-CE3 4.41Å; I322-W357 HydrophobicContact CB-CH2 3.9Å; I322-W357 HydrophobicContact CB-CZ2 3.52Å; I322-W357 HydrophobicContact CB-CZ3 4.33Å; I322-W357 HydrophobicContact CD1-CD2 4.3Å; I322-W357 HydrophobicContact CD1-CG 4.22Å; I322-W357 HydrophobicContact CG2-CD2 4.31Å; I322-W357 HydrophobicContact CG2-CE3 4.21Å; I322-W357 HydrophobicContact CG2-CH2 4.05Å; I322-W357 HydrophobicContact CG2-CZ2 4.17Å; I322-W357 HydrophobicContact CG2-CZ3 4.08Å; I322-W357 WeakPolarHBondContact O-CZ2 3.21Å; I322-F359 HydrophobicContact CD1-CZ 4.37Å
323S76.9Confident76.1Confident78 Ų7850 Ų5055%0.54529%0.287SS..THydrogen-bonded Turntrans-64.3-17.4175.449.60000114.1Q319 A320 V321 F325Q319-S323 PolarHBondContact O-N 3.28Å; Q319-S323 VanDerWaalsContact O-N 3.16Å; Q319-S323 PolarHBondContact O-OG 2.85Å; A320-S323 VanDerWaalsContact C-OG 3.31Å; A320-S323 WeakPolarHBondContact CA-OG 3.26Å; A320-S323 PolarHBondContact O-OG 3.34Å; V321-S323 PolarHBondContact O-N 3.06Å; S323-F325 VanDerWaalsContact C-N 3.34Å
324N77.7Confident78Confident130 Ų13044.6 Ų44.670%0.69526%0.255SS*.THydrogen-bonded Turntrans-83.9-7.2179.6-63.6-29000113.9A320 V321 I322A320-N324 PolarHBondContact O-ND2 3.31Å; V321-N324 WeakPolarHBondContact O-CB 3.44Å; V321-N324 PolarHBondContact O-N 3.44Å; V321-N324 VanDerWaalsContact O-N 3.1Å; I322-N324 PolarHBondContact O-N 2.97Å; I322-N324 VanDerWaalsContact O-N 3.17Å
325F76.3Confident79.1Confident56 Ų5640.9 Ų40.925%0.24624%0.241CC..  trans-102.7144.1-178.9-63.8-83.3000110.7L283 V321 I322 S323 F327 R328 W357L283-F325 HydrophobicContact CD1-CE2 4.02Å; L283-F325 HydrophobicContact CD1-CZ 4.04Å; L283-F325 HydrophobicContact CD2-CE2 4.48Å; V321-F325 HydrophobicContact CG1-CE2 3.92Å; V321-F325 VanDerWaalsContact O-CD2 3.26Å; V321-F325 WeakPolarHBondContact O-CD2 3.47Å; V321-F325 WeakPolarHBondContact O-CE2 3.33Å; I322-F325 PolarHBondContact O-N 2.95Å; S323-F325 VanDerWaalsContact C-N 3.34Å; F325-F327 HydrophobicContact CB-CD1 4.46Å; F325-F327 HydrophobicContact CB-CD2 4.23Å; F325-F327 HydrophobicContact CB-CE1 4.16Å; F325-F327 HydrophobicContact CB-CE2 3.89Å; F325-F327 HydrophobicContact CB-CG 4.5Å; F325-F327 HydrophobicContact CB-CZ 3.87Å; F325-F327 AromaticContact CD1-CE1 3.63Å; F325-F327 HydrophobicContact CD1-CE1 3.63Å; F325-F327 AromaticContact CD1-CE2 4Å; F325-F327 HydrophobicContact CD1-CE2 4Å; F325-F327 AromaticContact CD1-CZ 3.23Å; F325-F327 HydrophobicContact CD1-CZ 3.23Å; F325-F327 AromaticContact CE1-CZ 3.95Å; F325-F327 HydrophobicContact CE1-CZ 3.95Å; F325-F327 HydrophobicContact CG-CE1 4.27Å; F325-F327 HydrophobicContact CG-CE2 4.02Å; F325-F327 AromaticContact CG-CZ 3.72Å; F325-F327 HydrophobicContact CG-CZ 3.72Å; F325-R328 PolarHBondContact O-NH1 2.76Å; F325-W357 HydrophobicContact CB-CH2 4.05Å; F325-W357 HydrophobicContact CB-CZ2 4.12Å; F325-W357 HydrophobicContact CD2-CH2 4.49Å
326S76Confident79.8Confident109 Ų10944.4 Ų44.476%0.76225%0.253SS*.SBendtrans-78.8-35.4175.749.80000112
327F80.7Confident80.3Confident27 Ų2741.5 Ų41.512%0.11823%0.23CC..SBendtrans-74.5165174.155.2-101000112.2D280 D281 L283 F325 W357D280-F327 WeakPolarHBondContact O-CE1 3.36Å; D281-F327 WeakPolarHBondContact O-CD2 3.48Å; D281-F327 WeakPolarHBondContact O-CG 3.42Å; L283-F327 HydrophobicContact CB-CE2 3.97Å; L283-F327 VanDerWaalsContact N-CE2 3.3Å; F325-F327 HydrophobicContact CB-CD1 4.46Å; F325-F327 HydrophobicContact CB-CD2 4.23Å; F325-F327 HydrophobicContact CB-CE1 4.16Å; F325-F327 HydrophobicContact CB-CE2 3.89Å; F325-F327 HydrophobicContact CB-CG 4.5Å; F325-F327 HydrophobicContact CB-CZ 3.87Å; F325-F327 AromaticContact CD1-CE1 3.63Å; F325-F327 HydrophobicContact CD1-CE1 3.63Å; F325-F327 AromaticContact CD1-CE2 4Å; F325-F327 HydrophobicContact CD1-CE2 4Å; F325-F327 AromaticContact CD1-CZ 3.23Å; F325-F327 HydrophobicContact CD1-CZ 3.23Å; F325-F327 AromaticContact CE1-CZ 3.95Å; F325-F327 HydrophobicContact CE1-CZ 3.95Å; F325-F327 HydrophobicContact CG-CE1 4.27Å; F325-F327 HydrophobicContact CG-CE2 4.02Å; F325-F327 AromaticContact CG-CZ 3.72Å; F325-F327 HydrophobicContact CG-CZ 3.72Å; F327-W357 HydrophobicContact CD2-CH2 4.19Å; F327-W357 HydrophobicContact CE2-CH2 4.14Å; F327-W357 VanDerWaalsContact O-CZ2 3.22Å; F327-W357 WeakPolarHBondContact O-CZ2 3.27Å
328R82.7Confident80.6Confident99 Ų9941 Ų4137%0.37422%0.224SC..  trans-129.134.9-172.8-61.3-71.4174.7-102.81.4112.3F325 D356 W357 R358F325-R328 PolarHBondContact O-NH1 2.76Å; R328-D356 WeakPolarHBondContact CB-O 3.35Å; R328-D356 HydrophobicContact CG-CB 4.31Å; R328-W357 WeakPolarHBondContact O-CA 3.32Å; R328-R358 PolarHBondContact O-N 3.31Å
329S87.1Confident80.9Confident15 Ų1542.1 Ų42.111%0.10523%0.229CC..EExtended strand (participates in β ladder)trans-127.9130.3-179.6-166.30000111M276 L283M276-S329 WeakPolarHBondContact CE-OG 3.29Å; L283-S329 PolarHBondContact N-O 3.32Å
330A88.1Confident81.3Confident0 Ų038.2 Ų38.20%021%0.21CC..EExtended strand (participates in β ladder)trans-131.1129176.200000110.8L283 I285 W357 R358 F359 K360L283-A330 HydrophobicContact CB-CB 4.35Å; L283-A330 CarbonylContact O-C 3.56Å; L283-A330 VanDerWaalsContact O-CA 3.24Å; L283-A330 WeakPolarHBondContact O-CA 3.35Å; I285-A330 HydrophobicContact CD1-CB 4.01Å; I285-A330 HydrophobicContact CG1-CB 4.34Å; A330-W357 HydrophobicContact CB-CE3 3.83Å; A330-W357 HydrophobicContact CB-CZ3 3.83Å; A330-R358 PolarHBondContact N-O 3.43Å; A330-F359 HydrophobicContact CB-CD1 3.62Å; A330-F359 HydrophobicContact CB-CE1 3.88Å; A330-F359 CarbonylContact O-C 3.53Å; A330-F359 WeakPolarHBondContact O-CA 2.89Å; A330-K360 PolarHBondContact O-N 2.61Å
331F89.9Confident81.5Confident0 Ų037.9 Ų37.90%020%0.2CC..EExtended strand (participates in β ladder)trans-96.1129.8165.7-81.6-103.5000109.1D268 Q272 L273 M276 V282 L283 V284 I285 K360 V362D268-F331 HydrophobicContact CB-CE1 3.74Å; D268-F331 HydrophobicContact CB-CZ 4.37Å; Q272-F331 HydrophobicContact CG-CZ 4.28Å; L273-F331 HydrophobicContact CB-CD1 4.31Å; L273-F331 HydrophobicContact CB-CE1 4.4Å; L273-F331 HydrophobicContact CD1-CB 3.6Å; L273-F331 HydrophobicContact CD1-CD1 4.07Å; L273-F331 HydrophobicContact CD1-CD2 4.04Å; L273-F331 HydrophobicContact CD1-CG 3.64Å; M276-F331 HydrophobicContact CB-CE2 4.36Å; M276-F331 HydrophobicContact CE-CE2 3.8Å; M276-F331 HydrophobicContact CG-CE2 3.99Å; M276-F331 HydrophobicContact CG-CZ 4.42Å; V282-F331 HydrophobicContact CG2-CD2 3.44Å; V282-F331 VanDerWaalsContact CG2-CD2 3.44Å; V282-F331 HydrophobicContact CG2-CE2 3.99Å; L283-F331 PolarHBondContact O-N 3.41Å; V284-F331 CarbonylContact C-O 3.54Å; V284-F331 WeakPolarHBondContact CA-O 3.16Å; I285-F331 PolarHBondContact N-O 2.6Å; F331-K360 CarbonylContact C-O 3.58Å; F331-K360 WeakPolarHBondContact CA-O 3.44Å; F331-K360 HydrophobicContact CD1-CB 4.32Å; F331-K360 HydrophobicContact CE1-CB 4.33Å; F331-K360 HydrophobicContact CZ-CD 4.27Å; F331-V362 HydrophobicContact CB-CG2 4.01Å; F331-V362 HydrophobicContact CD1-CG2 3.68Å; F331-V362 HydrophobicContact CG-CG2 4.3Å
332V89.2Confident81.5Confident0 Ų036.4 Ų36.40%019%0.191CC..EExtended strand (participates in β ladder)trans-100.8128174.1-165.50000107.7I285 C287 S340 A343 V344 L347 K360 D361 V362I285-V332 HydrophobicContact CB-CB 4.47Å; I285-V332 HydrophobicContact CB-CG1 4.21Å; I285-V332 HydrophobicContact CB-CG2 4.19Å; I285-V332 HydrophobicContact CD1-CG2 4.5Å; I285-V332 HydrophobicContact CG2-CG1 4.19Å; I285-V332 CarbonylContact O-C 3.5Å; I285-V332 VanDerWaalsContact O-CA 3.26Å; I285-V332 WeakPolarHBondContact O-CA 3.45Å; I285-V332 WeakPolarHBondContact O-CG1 3.26Å; C287-V332 HydrophobicContact CB-CG1 4.33Å; V332-S340 WeakPolarHBondContact O-CB 3.17Å; V332-A343 HydrophobicContact CG1-CB 3.64Å; V332-V344 HydrophobicContact CB-CG2 3.79Å; V332-V344 HydrophobicContact CG2-CG2 3.48Å; V332-V344 VanDerWaalsContact CG2-CG2 3.48Å; V332-L347 HydrophobicContact CG2-CD1 3.86Å; V332-K360 PolarHBondContact N-O 3.42Å; V332-D361 WeakPolarHBondContact O-CA 3.37Å; V332-V362 PolarHBondContact O-N 3.13Å; V332-V362 VanDerWaalsContact O-N 3.08Å
333I89.5Confident81.6Confident0 Ų036.3 Ų36.30%019%0.19CC..EExtended strand (participates in β ladder)trans-125142.5-177.7-161.6162.4000110.5L273 V284 I285 D286 C287 F298 V362 V366L273-I333 HydrophobicContact CD2-CD1 4.16Å; V284-I333 HydrophobicContact CG1-CB 4.5Å; V284-I333 HydrophobicContact CG1-CG2 3.69Å; I285-I333 PolarHBondContact O-N 3.34Å; D286-I333 WeakPolarHBondContact CA-O 3.36Å; D286-I333 HydrophobicContact CB-CG2 4.14Å; C287-I333 PolarHBondContact N-O 3.35Å; C287-I333 PolarHBondContact SG-O 2.64Å; C287-I333 VanDerWaalsContact SG-O 3.35Å; F298-I333 HydrophobicContact CE2-CD1 3.77Å; F298-I333 HydrophobicContact CE2-CG2 4.29Å; F298-I333 HydrophobicContact CZ-CD1 3.99Å; I333-V362 HydrophobicContact CB-CB 4.35Å; I333-V362 HydrophobicContact CB-CG2 4.05Å; I333-V362 HydrophobicContact CD1-CB 4.03Å; I333-V362 HydrophobicContact CD1-CG1 3.94Å; I333-V362 HydrophobicContact CD1-CG2 4.06Å; I333-V362 HydrophobicContact CG1-CB 3.95Å; I333-V362 HydrophobicContact CG1-CG1 4.34Å; I333-V362 HydrophobicContact CG1-CG2 4.11Å; I333-V366 HydrophobicContact CD1-CG1 3.75Å; I333-V366 HydrophobicContact CG1-CG1 4.04Å
334C87.1Confident81.9Confident3 Ų332.6 Ų32.62%0.0217%0.165CC..  trans-131.9-165.8169.883.30000109.6C287 G337 Q339 G365 V366C287-C334 WeakPolarHBondContact SG-CB 3.44Å; C334-G337 VanDerWaalsContact SG-C 3.55Å; C334-G337 VanDerWaalsContact SG-CA 3.59Å; C334-G337 PolarHBondContact SG-N 3.27Å; C334-Q339 HydrophobicContact CB-CB 3.82Å; C334-Q339 PolarHBondContact SG-N 3.15Å; C334-Q339 VanDerWaalsContact SG-N 3.39Å; C334-G365 VanDerWaalsContact O-CA 3.23Å; C334-G365 WeakPolarHBondContact O-CA 3.4Å; C334-V366 PolarHBondContact O-N 3.42Å
335H84.6Confident82Confident5 Ų528.5 Ų28.52%0.02315%0.149CC..SBendtrans-59-51.4179.4-164.3-161.1000112.5A188 V366 D367 Y380A188-H335 PolarHBondContact O-CE1 3.45Å; A188-H335 PolarHBondContact O-ND1 3.1Å; H335-V366 PolarHBondContact O-N 3.44Å; H335-D367 IonicContact CD2-OD1 2.64Å; H335-D367 IonicContact NE2-OD1 2.63Å; H335-D367 PolarHBondContact NE2-OD1 2.87Å; H335-D367 PolarHBondContact O-N 3.19Å; H335-Y380 AromaticContact CD2-CE2 3.86Å; H335-Y380 AromaticContact CD2-CZ 3.8Å; H335-Y380 AromaticContact CE1-CD2 3.79Å; H335-Y380 AromaticContact CE1-CE2 3.56Å; H335-Y380 PolarHBondContact CE1-O 2.96Å; H335-Y380 VanDerWaalsContact CE1-O 3.26Å; H335-Y380 AromaticContact NE2-CD2 3.76Å; H335-Y380 AromaticContact NE2-CE2 3.43Å; H335-Y380 WeakPolarHBondContact NE2-CE2 3.47Å; H335-Y380 AromaticContact NE2-CZ 3.69Å; H335-Y380 PolarHBondContact NE2-O 2.87Å
336R80.4Confident82.2Confident87 Ų8727 Ų2733%0.32815%0.145SC..SBendtrans-131.612.7-170.9-66.6-171.5175.5-169.7-0.8116A188 G364 D367A188-R336 VanDerWaalsContact CB-CZ 3.43Å; R336-G364 VanDerWaalsContact C-C 3.44Å; R336-G364 WeakPolarHBondContact CA-O 3.34Å; R336-G364 WeakPolarHBondContact O-CA 3.34Å; R336-D367 HydrophobicContact CG-CB 4.32Å; R336-D367 WeakPolarHBondContact CG-OD2 3.2Å; R336-D367 IonicContact CZ-OD2 2.86Å; R336-D367 IonicContact NE-OD2 3.3Å; R336-D367 PolarHBondContact NE-OD2 2.68Å; R336-D367 IonicContact NH2-OD2 3.74Å; R336-D367 PolarHBondContact NH2-OD2 3.42Å
337G79.9Confident82.4Confident1 Ų121.8 Ų21.81%0.0111%0.108CC..SBendtrans94.1-24.5-179.700000116.2C334 S340 Q341C334-G337 VanDerWaalsContact SG-C 3.55Å; C334-G337 VanDerWaalsContact SG-CA 3.59Å; C334-G337 PolarHBondContact SG-N 3.27Å; G337-S340 VanDerWaalsContact C-OG 3.27Å; G337-S340 VanDerWaalsContact CA-OG 3.31Å; G337-S340 WeakPolarHBondContact CA-OG 3.34Å; G337-S340 PolarHBondContact O-N 2.9Å; G337-S340 PolarHBondContact O-OG 3.06Å; G337-Q341 WeakPolarHBondContact O-CG 3.47Å; G337-Q341 PolarHBondContact O-N 2.86Å
338N73.6Confident82.4Confident66 Ų6624.5 Ų24.535%0.35312%0.118SC..Hα-helixtrans-66.7-49.3-172.9-46.8-10000113.1Q189 S340 Q341 V342Q189-N338 PolarHBondContact NE2-ND2 3.45Å; Q189-N338 VanDerWaalsContact NE2-ND2 3.12Å; N338-S340 VanDerWaalsContact C-N 3.3Å; N338-S340 PolarHBondContact O-N 2.7Å; N338-Q341 PolarHBondContact O-N 2.76Å; N338-V342 WeakPolarHBondContact O-CG2 3.5Å
339Q77.2Confident82.3Confident29 Ų2924 Ų2414%0.13613%0.129CC..Hα-helixtrans-68.5-30.2-178.3-63-63-30.600112.6W306 C334 Q341 V342 A343W306-Q339 VanDerWaalsContact NE1-OE1 3.11Å; C334-Q339 HydrophobicContact CB-CB 3.82Å; C334-Q339 PolarHBondContact SG-N 3.15Å; C334-Q339 VanDerWaalsContact SG-N 3.39Å; Q339-Q341 VanDerWaalsContact C-N 3.34Å; Q339-V342 PolarHBondContact O-N 3.49Å; Q339-A343 WeakPolarHBondContact O-CB 3.46Å; Q339-A343 PolarHBondContact O-N 3.38Å
340S83.2Confident81.9Confident0 Ų028.2 Ų28.20%015%0.146CC..Hα-helixtrans-68.9-33.517837.40000111.7V332 G337 N338 V342 A343 V344V332-S340 WeakPolarHBondContact O-CB 3.17Å; G337-S340 VanDerWaalsContact C-OG 3.27Å; G337-S340 VanDerWaalsContact CA-OG 3.31Å; G337-S340 WeakPolarHBondContact CA-OG 3.34Å; G337-S340 PolarHBondContact O-N 2.9Å; G337-S340 PolarHBondContact O-OG 3.06Å; N338-S340 VanDerWaalsContact C-N 3.3Å; N338-S340 PolarHBondContact O-N 2.7Å; S340-V342 PolarHBondContact O-N 3.18Å; S340-A343 WeakPolarHBondContact O-CB 3.33Å; S340-A343 PolarHBondContact O-N 2.64Å; S340-V344 VanDerWaalsContact O-CG2 3.26Å; S340-V344 WeakPolarHBondContact O-CG2 3.24Å; S340-V344 PolarHBondContact O-N 3.32Å
341Q78.6Confident81.4Confident47 Ų4728.4 Ų28.422%0.2215%0.147CC..Hα-helixtrans-59.7-47.2173.1-71.4173.111.600111.8C267 G337 N338 Q339 A343 V344 A345 D361C267-Q341 PolarHBondContact SG-NE2 3.42Å; G337-Q341 WeakPolarHBondContact O-CG 3.47Å; G337-Q341 PolarHBondContact O-N 2.86Å; N338-Q341 PolarHBondContact O-N 2.76Å; Q339-Q341 VanDerWaalsContact C-N 3.34Å; Q341-A343 PolarHBondContact O-N 2.93Å; Q341-V344 PolarHBondContact O-N 2.86Å; Q341-A345 PolarHBondContact O-N 2.97Å; Q341-D361 HydrophobicContact CG-CB 4.08Å; Q341-D361 WeakPolarHBondContact CG-OD2 3.43Å; Q341-D361 PolarHBondContact NE2-OD2 3.08Å
342V75.1Confident80.2Confident10 Ų1029.8 Ų29.86%0.06116%0.161CC..Hα-helixtrans-62.7-39.2177.6-156.80000110.7E182 W306 N338 Q339 S340 A345 C346E182-V342 HydrophobicContact CB-CB 4.38Å; E182-V342 HydrophobicContact CB-CG1 4.06Å; E182-V342 HydrophobicContact CB-CG2 3.46Å; E182-V342 VanDerWaalsContact CB-CG2 3.46Å; E182-V342 HydrophobicContact CG-CG2 3.9Å; E182-V342 WeakPolarHBondContact O-CG2 3.18Å; W306-V342 HydrophobicContact CH2-CB 4.24Å; W306-V342 HydrophobicContact CH2-CG1 4.12Å; W306-V342 WeakPolarHBondContact CH2-O 3.49Å; W306-V342 HydrophobicContact CZ2-CB 3.54Å; W306-V342 HydrophobicContact CZ2-CG1 3.31Å; N338-V342 WeakPolarHBondContact O-CG2 3.5Å; Q339-V342 PolarHBondContact O-N 3.49Å; S340-V342 PolarHBondContact O-N 3.18Å; V342-A345 PolarHBondContact O-N 3.14Å; V342-C346 WeakPolarHBondContact O-CB 3.47Å; V342-C346 PolarHBondContact O-N 2.91Å
343A80.2Confident79.1Confident0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-62.9-45.3177.300000113.5W306 V332 Q339 S340 Q341 A345 C346 L347W306-A343 HydrophobicContact CD2-CB 4.18Å; W306-A343 HydrophobicContact CE3-CB 3.35Å; W306-A343 HydrophobicContact CH2-CB 4.02Å; W306-A343 HydrophobicContact CZ3-CB 3.31Å; V332-A343 HydrophobicContact CG1-CB 3.64Å; Q339-A343 WeakPolarHBondContact O-CB 3.46Å; Q339-A343 PolarHBondContact O-N 3.38Å; S340-A343 WeakPolarHBondContact O-CB 3.33Å; S340-A343 PolarHBondContact O-N 2.64Å; Q341-A343 PolarHBondContact O-N 2.93Å; A343-A345 VanDerWaalsContact C-N 3.34Å; A343-A345 PolarHBondContact O-N 2.81Å; A343-C346 PolarHBondContact O-N 2.94Å; A343-L347 VanDerWaalsContact O-CB 3.29Å; A343-L347 WeakPolarHBondContact O-CB 3.48Å; A343-L347 WeakPolarHBondContact O-CD1 3.41Å; A343-L347 WeakPolarHBondContact O-CG 3.41Å; A343-L347 PolarHBondContact O-N 3.03Å
344V83.5Confident77.8Confident1 Ų142 Ų421%0.00623%0.227CC..Hα-helixtrans-61-44.4174.5169.70000111.2V332 S340 Q341 C346 L347 R348 F359 K360 D361V332-V344 HydrophobicContact CB-CG2 3.79Å; V332-V344 HydrophobicContact CG2-CG2 3.48Å; V332-V344 VanDerWaalsContact CG2-CG2 3.48Å; S340-V344 VanDerWaalsContact O-CG2 3.26Å; S340-V344 WeakPolarHBondContact O-CG2 3.24Å; S340-V344 PolarHBondContact O-N 3.32Å; Q341-V344 PolarHBondContact O-N 2.86Å; V344-C346 PolarHBondContact O-N 3.48Å; V344-L347 PolarHBondContact O-N 3.29Å; V344-R348 HydrophobicContact CG1-CG 4.44Å; V344-R348 WeakPolarHBondContact O-CB 3.03Å; V344-R348 WeakPolarHBondContact O-CG 3.32Å; V344-R348 PolarHBondContact O-N 2.78Å; V344-F359 HydrophobicContact CG1-CB 4.06Å; V344-F359 WeakPolarHBondContact CG1-O 3.36Å; V344-F359 HydrophobicContact CG2-CB 4.31Å; V344-K360 WeakPolarHBondContact CG2-O 3.47Å; V344-D361 HydrophobicContact CG2-CB 3.95Å
345A79.8Confident76.8Confident44 Ų4443.1 Ų43.136%0.36423%0.233SC..Hα-helixtrans-60.4-46.4178.600000112Q341 V342 A343 S349Q341-A345 PolarHBondContact O-N 2.97Å; V342-A345 PolarHBondContact O-N 3.14Å; A343-A345 VanDerWaalsContact C-N 3.34Å; A343-A345 PolarHBondContact O-N 2.81Å; A345-S349 WeakPolarHBondContact O-CB 3.43Å; A345-S349 PolarHBondContact O-N 2.91Å
346C79Confident76.5Confident23 Ų2349.6 Ų49.616%0.15527%0.268CS..Hα-helixtrans-65.5-46.6177.5-176.90000112.3W306 V342 A343 V344 R348 S349 K350W306-C346 HydrophobicContact CH2-CB 3.63Å; W306-C346 HydrophobicContact CZ3-CB 4.27Å; V342-C346 WeakPolarHBondContact O-CB 3.47Å; V342-C346 PolarHBondContact O-N 2.91Å; A343-C346 PolarHBondContact O-N 2.94Å; V344-C346 PolarHBondContact O-N 3.48Å; C346-R348 VanDerWaalsContact C-N 3.33Å; C346-R348 PolarHBondContact O-N 3.06Å; C346-S349 PolarHBondContact O-N 3.28Å; C346-K350 WeakPolarHBondContact O-CB 3.34Å; C346-K350 WeakPolarHBondContact O-CG 3.13Å; C346-K350 PolarHBondContact O-N 3.27Å
347L81.5Confident76.6Confident0 Ų046.1 Ų46.10%026%0.255CS..Hα-helixtrans-60.5-43.6178.2-72.1167000110.8I285 I309 L315 V318 V332 A343 V344 K350 L351 G352 F359I285-L347 HydrophobicContact CD1-CD1 4.13Å; I309-L347 HydrophobicContact CG2-CD2 4.36Å; L315-L347 HydrophobicContact CD2-CD2 4.33Å; V318-L347 HydrophobicContact CG1-CD2 3.96Å; V332-L347 HydrophobicContact CG2-CD1 3.86Å; A343-L347 VanDerWaalsContact O-CB 3.29Å; A343-L347 WeakPolarHBondContact O-CB 3.48Å; A343-L347 WeakPolarHBondContact O-CD1 3.41Å; A343-L347 WeakPolarHBondContact O-CG 3.41Å; A343-L347 PolarHBondContact O-N 3.03Å; V344-L347 PolarHBondContact O-N 3.29Å; L347-K350 PolarHBondContact O-N 2.91Å; L347-L351 HydrophobicContact CD2-CD1 3.84Å; L347-L351 WeakPolarHBondContact O-CA 3.41Å; L347-L351 VanDerWaalsContact O-CB 3.26Å; L347-L351 WeakPolarHBondContact O-CB 3.43Å; L347-L351 PolarHBondContact O-N 3.23Å; L347-G352 PolarHBondContact O-N 3.06Å; L347-F359 HydrophobicContact CB-CB 4.48Å; L347-F359 HydrophobicContact CB-CD1 4Å; L347-F359 HydrophobicContact CB-CD2 3.92Å; L347-F359 HydrophobicContact CB-CE1 4.21Å; L347-F359 HydrophobicContact CB-CE2 4.12Å; L347-F359 HydrophobicContact CB-CG 3.86Å; L347-F359 HydrophobicContact CB-CZ 4.27Å; L347-F359 HydrophobicContact CD1-CD1 3.76Å; L347-F359 HydrophobicContact CD1-CE1 4.06Å; L347-F359 HydrophobicContact CD1-CG 4.34Å; L347-F359 HydrophobicContact CD2-CE1 4.47Å; L347-F359 HydrophobicContact CG-CD1 4.41Å; L347-F359 HydrophobicContact CG-CE1 4.48Å
348R80.7Confident76.9Confident85 Ų8554.1 Ų54.132%0.32129%0.285SS..Hα-helixtrans-64.1-46.3175.3-78.2-179.3152.7163.4-2.3112.7V344 C346 K350 G352 F359V344-R348 HydrophobicContact CG1-CG 4.44Å; V344-R348 WeakPolarHBondContact O-CB 3.03Å; V344-R348 WeakPolarHBondContact O-CG 3.32Å; V344-R348 PolarHBondContact O-N 2.78Å; C346-R348 VanDerWaalsContact C-N 3.33Å; C346-R348 PolarHBondContact O-N 3.06Å; R348-K350 VanDerWaalsContact C-N 3.27Å; R348-K350 PolarHBondContact O-N 2.81Å; R348-G352 WeakPolarHBondContact O-CA 3.5Å; R348-G352 PolarHBondContact O-N 2.69Å; R348-F359 HydrophobicContact CG-CB 4.2Å; R348-F359 HydrophobicContact CG-CD2 4.14Å; R348-F359 PolarHBondContact NE-O 2.98Å; R348-F359 PolarHBondContact NH2-O 2.89Å
349S79.4Confident77.5Confident88 Ų8851 Ų5162%0.61527%0.268SS*.Hα-helixtrans-60.4-38.2179.1172.20000112.3A345 C346A345-S349 WeakPolarHBondContact O-CB 3.43Å; A345-S349 PolarHBondContact O-N 2.91Å; C346-S349 PolarHBondContact O-N 3.28Å
350K78.4Confident78Confident103 Ų10351.9 Ų51.945%0.44827%0.272SS..Hα-helixtrans-95.8-32.1-173.5-65.3-168.5179.3-171.70114.8L315 C346 L347 R348L315-K350 HydrophobicContact CD1-CD 3.32Å; L315-K350 HydrophobicContact CD2-CB 4.07Å; L315-K350 HydrophobicContact CD2-CD 3.98Å; L315-K350 HydrophobicContact CG-CD 4.28Å; C346-K350 WeakPolarHBondContact O-CB 3.34Å; C346-K350 WeakPolarHBondContact O-CG 3.13Å; C346-K350 PolarHBondContact O-N 3.27Å; L347-K350 PolarHBondContact O-N 2.91Å; R348-K350 VanDerWaalsContact C-N 3.27Å; R348-K350 PolarHBondContact O-N 2.81Å
351L77.9Confident78.2Confident4 Ų451.9 Ų51.92%0.02127%0.272CS..Hα-helixtrans-117.2-22.1-175.5-58.6175.6000112.9L315 V318 Q319 I322 L347 H353 S354 T355 F359L315-L351 HydrophobicContact CD2-CD1 4.23Å; L315-L351 HydrophobicContact CD2-CG 4.25Å; V318-L351 HydrophobicContact CG1-CD1 4.15Å; Q319-L351 HydrophobicContact CB-CD2 4.17Å; Q319-L351 HydrophobicContact CG-CD2 4.03Å; I322-L351 HydrophobicContact CD1-CD1 4.2Å; L347-L351 HydrophobicContact CD2-CD1 3.84Å; L347-L351 WeakPolarHBondContact O-CA 3.41Å; L347-L351 VanDerWaalsContact O-CB 3.26Å; L347-L351 WeakPolarHBondContact O-CB 3.43Å; L347-L351 PolarHBondContact O-N 3.23Å; L351-H353 VanDerWaalsContact C-N 3.26Å; L351-H353 PolarHBondContact O-N 3.45Å; L351-S354 PolarHBondContact O-N 2.9Å; L351-S354 VanDerWaalsContact O-N 3.14Å; L351-S354 PolarHBondContact O-OG 3.19Å; L351-T355 WeakPolarHBondContact O-CB 3.49Å; L351-T355 PolarHBondContact O-N 3.14Å; L351-T355 PolarHBondContact O-OG1 3.38Å; L351-F359 HydrophobicContact CB-CE2 4.22Å; L351-F359 HydrophobicContact CB-CZ 4.46Å; L351-F359 HydrophobicContact CD1-CZ 4.28Å
352G66.2Low78.6Confident30 Ų3049.7 Ų49.731%0.30926%0.261SS..THydrogen-bonded Turntrans-67.1-23.8-17500000114.2L347 R348L347-G352 PolarHBondContact O-N 3.06Å; R348-G352 WeakPolarHBondContact O-CA 3.5Å; R348-G352 PolarHBondContact O-N 2.69Å
353H66Low79Confident179 Ų17952.4 Ų52.483%0.82928%0.278SS*.THydrogen-bonded Turntrans-85.3-23.4173.7-68-60.1000113.5L351L351-H353 VanDerWaalsContact C-N 3.26Å; L351-H353 PolarHBondContact O-N 3.45Å
354S62.4Low79.1Confident78 Ų7853.5 Ų53.555%0.54529%0.29SS..THydrogen-bonded Turntrans-101.4-8.9-176.652.70000113.2L351L351-S354 PolarHBondContact O-N 2.9Å; L351-S354 VanDerWaalsContact O-N 3.14Å; L351-S354 PolarHBondContact O-OG 3.19Å
355T64.6Low79.4Confident26 Ų2653.5 Ų53.516%0.1629%0.289CS..SBendtrans-144.1137.8-175.772.10000109.4I322 L351 W357I322-T355 HydrophobicContact CD1-CG2 4.5Å; L351-T355 WeakPolarHBondContact O-CB 3.49Å; L351-T355 PolarHBondContact O-N 3.14Å; L351-T355 PolarHBondContact O-OG1 3.38Å; T355-W357 PolarHBondContact O-N 2.99Å
356D78.2Confident79.9Confident141 Ų14151.5 Ų51.575%0.75427%0.273SS*.  trans-67.819.2177.2-72.1-35.9000113.8R328R328-D356 WeakPolarHBondContact CB-O 3.35Å; R328-D356 HydrophobicContact CG-CB 4.31Å
357W83.4Confident80.3Confident13 Ų1350.9 Ų50.95%0.04927%0.268CS..  trans-76.7128.9-173.9-81.972.6000112.6L283 I322 F325 F327 R328 A330 T355 F359L283-W357 HydrophobicContact CB-CH2 4.35Å; L283-W357 HydrophobicContact CB-CZ3 4.08Å; L283-W357 HydrophobicContact CD2-CH2 4.32Å; L283-W357 HydrophobicContact CD2-CZ3 4.18Å; I322-W357 HydrophobicContact CB-CD2 4.06Å; I322-W357 HydrophobicContact CB-CE3 4.41Å; I322-W357 HydrophobicContact CB-CH2 3.9Å; I322-W357 HydrophobicContact CB-CZ2 3.52Å; I322-W357 HydrophobicContact CB-CZ3 4.33Å; I322-W357 HydrophobicContact CD1-CD2 4.3Å; I322-W357 HydrophobicContact CD1-CG 4.22Å; I322-W357 HydrophobicContact CG2-CD2 4.31Å; I322-W357 HydrophobicContact CG2-CE3 4.21Å; I322-W357 HydrophobicContact CG2-CH2 4.05Å; I322-W357 HydrophobicContact CG2-CZ2 4.17Å; I322-W357 HydrophobicContact CG2-CZ3 4.08Å; I322-W357 WeakPolarHBondContact O-CZ2 3.21Å; F325-W357 HydrophobicContact CB-CH2 4.05Å; F325-W357 HydrophobicContact CB-CZ2 4.12Å; F325-W357 HydrophobicContact CD2-CH2 4.49Å; F327-W357 HydrophobicContact CD2-CH2 4.19Å; F327-W357 HydrophobicContact CE2-CH2 4.14Å; F327-W357 VanDerWaalsContact O-CZ2 3.22Å; F327-W357 WeakPolarHBondContact O-CZ2 3.27Å; R328-W357 WeakPolarHBondContact O-CA 3.32Å; A330-W357 HydrophobicContact CB-CE3 3.83Å; A330-W357 HydrophobicContact CB-CZ3 3.83Å; T355-W357 PolarHBondContact O-N 2.99Å; W357-F359 HydrophobicContact CB-CD2 4.26Å; W357-F359 HydrophobicContact CB-CE1 4.5Å; W357-F359 HydrophobicContact CB-CE2 3.54Å; W357-F359 HydrophobicContact CB-CZ 3.68Å; W357-F359 HydrophobicContact CE3-CE1 4.36Å; W357-F359 HydrophobicContact CE3-CZ 4.47Å; W357-F359 HydrophobicContact CG-CZ 4.24Å
358R85.2Confident80.7Confident169 Ų16951.4 Ų51.464%0.63827%0.272SS*.EExtended strand (participates in β ladder)trans-95.3102.1170.9-70.3-177.1-101.4178.1-4.8109.4R328 A330R328-R358 PolarHBondContact O-N 3.31Å; A330-R358 PolarHBondContact N-O 3.43Å
359F86.9Confident81.3Confident0 Ų048.3 Ų48.30%026%0.261CS..EExtended strand (participates in β ladder)trans-88.2133.6170.5-57.5-81.5000110.5I285 I322 A330 V344 L347 R348 L351 W357I285-F359 HydrophobicContact CD1-CD1 4.23Å; I285-F359 HydrophobicContact CD1-CE1 3.99Å; I322-F359 HydrophobicContact CD1-CZ 4.37Å; A330-F359 HydrophobicContact CB-CD1 3.62Å; A330-F359 HydrophobicContact CB-CE1 3.88Å; A330-F359 CarbonylContact O-C 3.53Å; A330-F359 WeakPolarHBondContact O-CA 2.89Å; V344-F359 HydrophobicContact CG1-CB 4.06Å; V344-F359 WeakPolarHBondContact CG1-O 3.36Å; V344-F359 HydrophobicContact CG2-CB 4.31Å; L347-F359 HydrophobicContact CB-CB 4.48Å; L347-F359 HydrophobicContact CB-CD1 4Å; L347-F359 HydrophobicContact CB-CD2 3.92Å; L347-F359 HydrophobicContact CB-CE1 4.21Å; L347-F359 HydrophobicContact CB-CE2 4.12Å; L347-F359 HydrophobicContact CB-CG 3.86Å; L347-F359 HydrophobicContact CB-CZ 4.27Å; L347-F359 HydrophobicContact CD1-CD1 3.76Å; L347-F359 HydrophobicContact CD1-CE1 4.06Å; L347-F359 HydrophobicContact CD1-CG 4.34Å; L347-F359 HydrophobicContact CD2-CE1 4.47Å; L347-F359 HydrophobicContact CG-CD1 4.41Å; L347-F359 HydrophobicContact CG-CE1 4.48Å; R348-F359 HydrophobicContact CG-CB 4.2Å; R348-F359 HydrophobicContact CG-CD2 4.14Å; R348-F359 PolarHBondContact NE-O 2.98Å; R348-F359 PolarHBondContact NH2-O 2.89Å; L351-F359 HydrophobicContact CB-CE2 4.22Å; L351-F359 HydrophobicContact CB-CZ 4.46Å; L351-F359 HydrophobicContact CD1-CZ 4.28Å; W357-F359 HydrophobicContact CB-CD2 4.26Å; W357-F359 HydrophobicContact CB-CE1 4.5Å; W357-F359 HydrophobicContact CB-CE2 3.54Å; W357-F359 HydrophobicContact CB-CZ 3.68Å; W357-F359 HydrophobicContact CE3-CE1 4.36Å; W357-F359 HydrophobicContact CE3-CZ 4.47Å; W357-F359 HydrophobicContact CG-CZ 4.24Å
360K87.6Confident81.9Confident49 Ų4944.5 Ų44.521%0.21323%0.234CC..EExtended strand (participates in β ladder)trans-137.9149.7177.7-55.7-166.1-176.7179.30110.4D268 A330 F331 V332 V344D268-K360 HydrophobicContact CB-CD 4.5Å; D268-K360 WeakPolarHBondContact OD2-CD 3.34Å; D268-K360 WeakPolarHBondContact OD2-CE 2.87Å; D268-K360 IonicContact OD2-NZ 3.84Å; D268-K360 PolarHBondContact OD2-NZ 3.4Å; A330-K360 PolarHBondContact O-N 2.61Å; F331-K360 CarbonylContact C-O 3.58Å; F331-K360 WeakPolarHBondContact CA-O 3.44Å; F331-K360 HydrophobicContact CD1-CB 4.32Å; F331-K360 HydrophobicContact CE1-CB 4.33Å; F331-K360 HydrophobicContact CZ-CD 4.27Å; V332-K360 PolarHBondContact N-O 3.42Å; V344-K360 WeakPolarHBondContact CG2-O 3.47Å
361D87.7Confident82.3Confident0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-97.8153.2174.872.3-75.8000110.8C267 D268 V332 Q341 V344C267-D361 PolarHBondContact SG-OD2 3.49Å; C267-D361 VanDerWaalsContact SG-OD2 3.38Å; D268-D361 PolarHBondContact N-O 2.95Å; V332-D361 WeakPolarHBondContact O-CA 3.37Å; Q341-D361 HydrophobicContact CG-CB 4.08Å; Q341-D361 WeakPolarHBondContact CG-OD2 3.43Å; Q341-D361 PolarHBondContact NE2-OD2 3.08Å; V344-D361 HydrophobicContact CG2-CB 3.95Å
362V87.9Confident83Confident0 Ų050.8 Ų50.80%026%0.263CS..EExtended strand (participates in β ladder)trans-93.3115.7175.7-1770000109.1V270 L273 F331 V332 I333 G364 G365V270-V362 HydrophobicContact CB-CG1 4.5Å; V270-V362 HydrophobicContact CG1-CG1 3.49Å; V270-V362 VanDerWaalsContact CG1-CG1 3.49Å; L273-V362 HydrophobicContact CD2-CG1 4.27Å; L273-V362 HydrophobicContact CD2-CG2 3.81Å; F331-V362 HydrophobicContact CB-CG2 4.01Å; F331-V362 HydrophobicContact CD1-CG2 3.68Å; F331-V362 HydrophobicContact CG-CG2 4.3Å; V332-V362 PolarHBondContact O-N 3.13Å; V332-V362 VanDerWaalsContact O-N 3.08Å; I333-V362 HydrophobicContact CB-CB 4.35Å; I333-V362 HydrophobicContact CB-CG2 4.05Å; I333-V362 HydrophobicContact CD1-CB 4.03Å; I333-V362 HydrophobicContact CD1-CG1 3.94Å; I333-V362 HydrophobicContact CD1-CG2 4.06Å; I333-V362 HydrophobicContact CG1-CB 3.95Å; I333-V362 HydrophobicContact CG1-CG1 4.34Å; I333-V362 HydrophobicContact CG1-CG2 4.11Å; V362-G364 PolarHBondContact O-N 2.91Å; V362-G365 PolarHBondContact O-N 3.03Å; V362-G365 VanDerWaalsContact O-N 3.1Å
363V82.2Confident84.2Confident67 Ų6751 Ų5141%0.40626%0.257SS..THydrogen-bonded Turntrans-58.6129.5176.2176.50000110.2C267 D268 G365 A368C267-V363 HydrophobicContact CB-CG2 3.35Å; D268-V363 VanDerWaalsContact O-CG2 3.31Å; D268-V363 WeakPolarHBondContact O-CG2 3.46Å; D268-V363 PolarHBondContact O-N 3.42Å; V363-G365 PolarHBondContact O-N 3.47Å; V363-G365 VanDerWaalsContact O-N 3.11Å; V363-A368 WeakPolarHBondContact O-CB 3.45Å
364G82.4Confident85.4Confident24 Ų2445.4 Ų45.425%0.24723%0.233CC..THydrogen-bonded Turntrans71.1-0.7179.200000114.6R336 V362 D367 A368R336-G364 VanDerWaalsContact C-C 3.44Å; R336-G364 WeakPolarHBondContact CA-O 3.34Å; R336-G364 WeakPolarHBondContact O-CA 3.34Å; V362-G364 PolarHBondContact O-N 2.91Å; G364-D367 WeakPolarHBondContact O-CB 3.15Å; G364-D367 PolarHBondContact O-N 3.33Å; G364-A368 PolarHBondContact O-N 3.44Å; G364-A368 VanDerWaalsContact O-N 3.1Å
365G89.5Confident86.7Confident0 Ų048.8 Ų48.80%024%0.239CC..Hα-helixtrans60.8-149.7172.400000114.4C334 V362 V363 D367 A368 W369C334-G365 VanDerWaalsContact O-CA 3.23Å; C334-G365 WeakPolarHBondContact O-CA 3.4Å; V362-G365 PolarHBondContact O-N 3.03Å; V362-G365 VanDerWaalsContact O-N 3.1Å; V363-G365 PolarHBondContact O-N 3.47Å; V363-G365 VanDerWaalsContact O-N 3.11Å; G365-D367 PolarHBondContact O-N 3.3Å; G365-A368 PolarHBondContact O-N 3.35Å; G365-W369 PolarHBondContact O-N 2.87Å
366V91.2Very high87.9Confident2 Ų252.1 Ų52.11%0.01226%0.264CS..Hα-helixtrans-68-23.9176.2-62.60000112.8F298 I333 C334 H335 W369 S370 F377F298-V366 HydrophobicContact CE2-CG1 4.07Å; I333-V366 HydrophobicContact CD1-CG1 3.75Å; I333-V366 HydrophobicContact CG1-CG1 4.04Å; C334-V366 PolarHBondContact O-N 3.42Å; H335-V366 PolarHBondContact O-N 3.44Å; V366-W369 WeakPolarHBondContact O-CB 3.32Å; V366-W369 PolarHBondContact O-N 3.19Å; V366-S370 PolarHBondContact O-N 3.42Å; V366-F377 HydrophobicContact CB-CD1 4.31Å; V366-F377 HydrophobicContact CB-CE1 3.71Å; V366-F377 HydrophobicContact CB-CZ 4.3Å; V366-F377 HydrophobicContact CG1-CE1 3.98Å; V366-F377 HydrophobicContact CG1-CZ 4.06Å; V366-F377 HydrophobicContact CG2-CE1 4.26Å
367D87.9Confident88.5Confident11 Ų1146.3 Ų46.36%0.05923%0.232CC..Hα-helixtrans-61.8-48.1173.8-95.12000111.1H335 R336 G364 G365 W369 S370 K371H335-D367 IonicContact CD2-OD1 2.64Å; H335-D367 IonicContact NE2-OD1 2.63Å; H335-D367 PolarHBondContact NE2-OD1 2.87Å; H335-D367 PolarHBondContact O-N 3.19Å; R336-D367 HydrophobicContact CG-CB 4.32Å; R336-D367 WeakPolarHBondContact CG-OD2 3.2Å; R336-D367 IonicContact CZ-OD2 2.86Å; R336-D367 IonicContact NE-OD2 3.3Å; R336-D367 PolarHBondContact NE-OD2 2.68Å; R336-D367 IonicContact NH2-OD2 3.74Å; R336-D367 PolarHBondContact NH2-OD2 3.42Å; G364-D367 WeakPolarHBondContact O-CB 3.15Å; G364-D367 PolarHBondContact O-N 3.33Å; G365-D367 PolarHBondContact O-N 3.3Å; D367-W369 VanDerWaalsContact C-N 3.33Å; D367-S370 PolarHBondContact O-N 2.85Å; D367-K371 VanDerWaalsContact O-CG 3.31Å; D367-K371 WeakPolarHBondContact O-CG 3.22Å; D367-K371 PolarHBondContact O-N 3.33Å; D367-K371 VanDerWaalsContact O-N 3.15Å
368A89.4Confident88.5Confident11 Ų1148.4 Ų48.49%0.09125%0.248CC..Hα-helixtrans-67.1-36.4175.300000111.5V270 V363 G364 G365 S370 K371 E372V270-A368 HydrophobicContact CG1-CB 3.67Å; V270-A368 HydrophobicContact CG2-CB 4.36Å; V363-A368 WeakPolarHBondContact O-CB 3.45Å; G364-A368 PolarHBondContact O-N 3.44Å; G364-A368 VanDerWaalsContact O-N 3.1Å; G365-A368 PolarHBondContact O-N 3.35Å; A368-S370 PolarHBondContact O-N 2.84Å; A368-K371 PolarHBondContact O-N 2.84Å; A368-E372 WeakPolarHBondContact O-CB 3.12Å; A368-E372 WeakPolarHBondContact O-CG 3.34Å; A368-E372 PolarHBondContact O-N 3.49Å
369W92.5Very high88Confident20 Ų2043.9 Ų43.98%0.07624%0.238CC..Hα-helixtrans-59.7-47.1176.7177.7-90.1000111.5V270 L273 K274 L277 F298 G365 V366 D367 I373 D374 F377V270-W369 HydrophobicContact CB-CE3 4.33Å; V270-W369 HydrophobicContact CG1-CB 4.3Å; L273-W369 HydrophobicContact CB-CZ3 4.25Å; L273-W369 HydrophobicContact CD2-CE3 3.9Å; L273-W369 HydrophobicContact CD2-CZ3 3.93Å; L273-W369 HydrophobicContact CG-CE3 4.44Å; L273-W369 HydrophobicContact CG-CZ3 3.99Å; K274-W369 HydrophobicContact CB-CH2 3.87Å; K274-W369 HydrophobicContact CB-CZ3 3.82Å; K274-W369 HydrophobicContact CG-CH2 4.11Å; L277-W369 HydrophobicContact CD1-CH2 3.79Å; L277-W369 HydrophobicContact CD1-CZ3 4.18Å; F298-W369 HydrophobicContact CD1-CZ2 4.48Å; F298-W369 AromaticContact CE1-CD2 3.65Å; F298-W369 HydrophobicContact CE1-CD2 3.65Å; F298-W369 AromaticContact CE1-CE2 3.44Å; F298-W369 VanDerWaalsContact CE1-CE2 3.44Å; F298-W369 HydrophobicContact CE1-CE3 4.07Å; F298-W369 HydrophobicContact CE1-CG 4.13Å; F298-W369 HydrophobicContact CE1-CH2 4.06Å; F298-W369 AromaticContact CE1-CZ2 3.68Å; F298-W369 HydrophobicContact CE1-CZ2 3.68Å; F298-W369 HydrophobicContact CE1-CZ3 4.24Å; F298-W369 AromaticContact CE1-NE1 3.76Å; F298-W369 HydrophobicContact CZ-CB 4.45Å; F298-W369 AromaticContact CZ-CD2 3.75Å; F298-W369 HydrophobicContact CZ-CD2 3.75Å; F298-W369 AromaticContact CZ-CE2 3.98Å; F298-W369 HydrophobicContact CZ-CE3 4.21Å; F298-W369 AromaticContact CZ-CG 3.82Å; F298-W369 HydrophobicContact CZ-CG 3.82Å; G365-W369 PolarHBondContact O-N 2.87Å; V366-W369 WeakPolarHBondContact O-CB 3.32Å; V366-W369 PolarHBondContact O-N 3.19Å; D367-W369 VanDerWaalsContact C-N 3.33Å; W369-I373 HydrophobicContact CD2-CB 3.91Å; W369-I373 HydrophobicContact CD2-CG1 4.28Å; W369-I373 HydrophobicContact CD2-CG2 4.06Å; W369-I373 HydrophobicContact CE3-CB 3.97Å; W369-I373 HydrophobicContact CE3-CG1 3.88Å; W369-I373 HydrophobicContact CE3-CG2 4.03Å; W369-I373 HydrophobicContact CG-CB 4.45Å; W369-I373 HydrophobicContact CH2-CB 4.37Å; W369-I373 HydrophobicContact CH2-CG2 3.53Å; W369-I373 HydrophobicContact CZ2-CB 4.29Å; W369-I373 HydrophobicContact CZ2-CG2 3.51Å; W369-I373 HydrophobicContact CZ3-CB 4.21Å; W369-I373 HydrophobicContact CZ3-CG1 4.14Å; W369-I373 HydrophobicContact CZ3-CG2 3.79Å; W369-I373 WeakPolarHBondContact O-CA 3.23Å; W369-I373 WeakPolarHBondContact O-CB 3.39Å; W369-I373 PolarHBondContact O-N 3.35Å; W369-D374 PolarHBondContact O-N 3.18Å; W369-F377 AromaticContact CD1-CG 3.94Å
370S92.2Very high87.6Confident7 Ų747.4 Ų47.45%0.04925%0.252CS..Hα-helixtrans-62.9-45.9179.1-1780000111.6V366 D367 A368 E372 D374 H375 F377 V379V366-S370 PolarHBondContact O-N 3.42Å; D367-S370 PolarHBondContact O-N 2.85Å; A368-S370 PolarHBondContact O-N 2.84Å; S370-E372 PolarHBondContact O-N 3.46Å; S370-D374 VanDerWaalsContact CA-O 3.3Å; S370-D374 WeakPolarHBondContact CA-O 3.29Å; S370-D374 CarbonylContact O-C 3.53Å; S370-D374 VanDerWaalsContact O-C 3.31Å; S370-H375 VanDerWaalsContact O-CA 3.25Å; S370-H375 WeakPolarHBondContact O-CA 3.26Å; S370-H375 PolarHBondContact O-N 3.34Å; S370-H375 PolarHBondContact O-ND1 3.17Å; S370-F377 WeakPolarHBondContact CB-O 3.48Å; S370-F377 PolarHBondContact OG-O 3.21Å; S370-V379 VanDerWaalsContact CB-CG2 3.47Å; S370-V379 WeakPolarHBondContact OG-CG2 3.36Å
371K87.8Confident87.6Confident113 Ų11347.4 Ų47.449%0.49125%0.254SS..Hα-helixtrans-68.3-34.3-177.8-70.3175-176.9-178.40114D367 A368 H375D367-K371 VanDerWaalsContact O-CG 3.31Å; D367-K371 WeakPolarHBondContact O-CG 3.22Å; D367-K371 PolarHBondContact O-N 3.33Å; D367-K371 VanDerWaalsContact O-N 3.15Å; A368-K371 PolarHBondContact O-N 2.84Å; K371-H375 PolarHBondContact O-CE1 2.89Å; K371-H375 PolarHBondContact O-NE2 3.25Å
372E91.8Very high87.6Confident126 Ų12649.8 Ų49.859%0.58927%0.268SS*.Hα-helixtrans-109.5-27.3-168.9-61.6176.4-143.200113.5V270 A368 S370V270-E372 HydrophobicContact CG2-CB 3.8Å; V270-E372 HydrophobicContact CG2-CG 4.27Å; V270-E372 VanDerWaalsContact CG2-OE2 3.24Å; V270-E372 WeakPolarHBondContact CG2-OE2 3.34Å; A368-E372 WeakPolarHBondContact O-CB 3.12Å; A368-E372 WeakPolarHBondContact O-CG 3.34Å; A368-E372 PolarHBondContact O-N 3.49Å; S370-E372 PolarHBondContact O-N 3.46Å
373I92.4Very high87.6Confident36 Ų3652.6 Ų52.619%0.18528%0.282CS..THydrogen-bonded Turntrans-117.1-52.6-169.2-55.2-57.1000113V270 K274 W369V270-I373 HydrophobicContact CB-CG1 3.92Å; V270-I373 HydrophobicContact CG2-CD1 4.22Å; V270-I373 HydrophobicContact CG2-CG1 3.89Å; K274-I373 HydrophobicContact CB-CD1 4.39Å; K274-I373 HydrophobicContact CB-CG2 4.07Å; K274-I373 HydrophobicContact CD-CD1 4.15Å; K274-I373 HydrophobicContact CD-CG2 3.56Å; K274-I373 HydrophobicContact CG-CG2 3.81Å; W369-I373 HydrophobicContact CD2-CB 3.91Å; W369-I373 HydrophobicContact CD2-CG1 4.28Å; W369-I373 HydrophobicContact CD2-CG2 4.06Å; W369-I373 HydrophobicContact CE3-CB 3.97Å; W369-I373 HydrophobicContact CE3-CG1 3.88Å; W369-I373 HydrophobicContact CE3-CG2 4.03Å; W369-I373 HydrophobicContact CG-CB 4.45Å; W369-I373 HydrophobicContact CH2-CB 4.37Å; W369-I373 HydrophobicContact CH2-CG2 3.53Å; W369-I373 HydrophobicContact CZ2-CB 4.29Å; W369-I373 HydrophobicContact CZ2-CG2 3.51Å; W369-I373 HydrophobicContact CZ3-CB 4.21Å; W369-I373 HydrophobicContact CZ3-CG1 4.14Å; W369-I373 HydrophobicContact CZ3-CG2 3.79Å; W369-I373 WeakPolarHBondContact O-CA 3.23Å; W369-I373 WeakPolarHBondContact O-CB 3.39Å; W369-I373 PolarHBondContact O-N 3.35Å
374D90.4Very high87.9Confident60 Ų6051.8 Ų51.832%0.32128%0.275SS..  trans-140.495.1-174.7179.45.7000110.7W369 S370 S376 F377W369-D374 PolarHBondContact O-N 3.18Å; S370-D374 VanDerWaalsContact CA-O 3.3Å; S370-D374 WeakPolarHBondContact CA-O 3.29Å; S370-D374 CarbonylContact O-C 3.53Å; S370-D374 VanDerWaalsContact O-C 3.31Å; D374-S376 PolarHBondContact O-N 3.17Å; D374-S376 VanDerWaalsContact O-N 3.08Å; D374-S376 WeakPolarHBondContact OD1-CB 3.42Å; D374-S376 PolarHBondContact OD1-N 3.1Å; D374-S376 PolarHBondContact OD1-OG 3.3Å; D374-S376 PolarHBondContact OD2-OG 2.78Å; D374-F377 WeakPolarHBondContact O-CB 3.39Å; D374-F377 PolarHBondContact O-N 3.03Å
375H90Very high88.2Confident149 Ų14953.5 Ų53.569%0.6928%0.277SS*.THydrogen-bonded Turntrans-68.2-8.5-177.3-6346.2000113S370 K371S370-H375 VanDerWaalsContact O-CA 3.25Å; S370-H375 WeakPolarHBondContact O-CA 3.26Å; S370-H375 PolarHBondContact O-N 3.34Å; S370-H375 PolarHBondContact O-ND1 3.17Å; K371-H375 PolarHBondContact O-CE1 2.89Å; K371-H375 PolarHBondContact O-NE2 3.25Å
376S90.2Very high88.1Confident97 Ų9757.1 Ų57.168%0.67830%0.295SS*.THydrogen-bonded Turntrans-82.8-15.1172.277.50000112.9D374D374-S376 PolarHBondContact O-N 3.17Å; D374-S376 VanDerWaalsContact O-N 3.08Å; D374-S376 WeakPolarHBondContact OD1-CB 3.42Å; D374-S376 PolarHBondContact OD1-N 3.1Å; D374-S376 PolarHBondContact OD1-OG 3.3Å; D374-S376 PolarHBondContact OD2-OG 2.78Å
377F89.3Confident87.9Confident19 Ų1961 Ų618%0.08332%0.316CS..SBendtrans-67.1127.7176.4-164.8-82.1000109.8G296 V366 W369 S370 D374 V379G296-F377 WeakPolarHBondContact O-CZ 3.46Å; V366-F377 HydrophobicContact CB-CD1 4.31Å; V366-F377 HydrophobicContact CB-CE1 3.71Å; V366-F377 HydrophobicContact CB-CZ 4.3Å; V366-F377 HydrophobicContact CG1-CE1 3.98Å; V366-F377 HydrophobicContact CG1-CZ 4.06Å; V366-F377 HydrophobicContact CG2-CE1 4.26Å; W369-F377 AromaticContact CD1-CG 3.94Å; S370-F377 WeakPolarHBondContact CB-O 3.48Å; S370-F377 PolarHBondContact OG-O 3.21Å; D374-F377 WeakPolarHBondContact O-CB 3.39Å; D374-F377 PolarHBondContact O-N 3.03Å; F377-V379 PolarHBondContact O-N 3.16Å
378P83.6Confident87.9Confident57 Ų5764.8 Ų64.837%0.3734%0.335SS..PPolyproline II helixtrans-61.7131-173.4-2130.7000113I295I295-P378 HydrophobicContact CG2-CB 3.84Å; I295-P378 HydrophobicContact CG2-CG 4.36Å
379V76.2Confident87.8Confident73 Ų7369.3 Ų69.344%0.44236%0.356SS..PPolyproline II helixtrans-103.8137.7170.8-174.40000108.7S370 F377S370-V379 VanDerWaalsContact CB-CG2 3.47Å; S370-V379 WeakPolarHBondContact OG-CG2 3.36Å; F377-V379 PolarHBondContact O-N 3.16Å
380Y77.1Confident87.4Confident75 Ų7573.8 Ų73.829%0.29438%0.381SS..  trans-143.60-17654.4-94.1000114.6R288 Q292 I295 H335R288-Y380 WeakPolarHBondContact CD-OH 3.28Å; R288-Y380 PolarHBondContact NH1-OH 3.32Å; R288-Y380 VanDerWaalsContact NH1-OH 3.09Å; Q292-Y380 HydrophobicContact CB-CE2 4.37Å; Q292-Y380 WeakPolarHBondContact CB-OH 3.43Å; Q292-Y380 HydrophobicContact CG-CE2 3.73Å; Q292-Y380 PolarHBondContact OE1-OH 3.34Å; I295-Y380 HydrophobicContact CB-CD1 4.37Å; I295-Y380 HydrophobicContact CB-CE1 4.26Å; I295-Y380 HydrophobicContact CD1-CD1 3.76Å; I295-Y380 HydrophobicContact CD1-CD2 4Å; I295-Y380 HydrophobicContact CD1-CE1 3.92Å; I295-Y380 HydrophobicContact CD1-CE2 4.16Å; I295-Y380 HydrophobicContact CD1-CG 3.8Å; I295-Y380 HydrophobicContact CG2-CD1 3.74Å; I295-Y380 HydrophobicContact CG2-CE1 4.02Å; H335-Y380 AromaticContact CD2-CE2 3.86Å; H335-Y380 AromaticContact CD2-CZ 3.8Å; H335-Y380 AromaticContact CE1-CD2 3.79Å; H335-Y380 AromaticContact CE1-CE2 3.56Å; H335-Y380 PolarHBondContact CE1-O 2.96Å; H335-Y380 VanDerWaalsContact CE1-O 3.26Å; H335-Y380 AromaticContact NE2-CD2 3.76Å; H335-Y380 AromaticContact NE2-CE2 3.43Å; H335-Y380 WeakPolarHBondContact NE2-CE2 3.47Å; H335-Y380 AromaticContact NE2-CZ 3.69Å; H335-Y380 PolarHBondContact NE2-O 2.87Å

Retrieved 380 of 380 residues in 147.2 ms (Link to these results)

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