A0A096N3U3_PAPAN Loading...

Pejvakin

AlphaFold DB , UniProt , Accession A0A096N3U3, Species PAPAN (Papio anubis, Olive baboon), Gene PJVK, Length 352 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
1M81.3Confident87.9Confident43 Ų4341.3 Ų41.321%0.21222%0.216CC..  0-75.30-62-167.3-84.800112.6A3 A4 A5 V100 V173 K197 I199M1-A3 PolarHBondContact O-N 3.31Å; M1-A4 WeakPolarHBondContact O-CB 3.46Å; M1-A4 PolarHBondContact O-N 3.22Å; M1-A5 PolarHBondContact O-N 3.36Å; M1-V100 HydrophobicContact CG-CG1 3.77Å; M1-V100 WeakPolarHBondContact CG-O 3.45Å; M1-V100 PolarHBondContact N-O 2.72Å; M1-V173 HydrophobicContact CG-CG2 3.88Å; M1-V173 HydrophobicContact SD-CB 4.31Å; M1-V173 HydrophobicContact SD-CG2 3.63Å; M1-K197 HydrophobicContact CE-CB 3.69Å; M1-K197 HydrophobicContact CE-CD 4.47Å; M1-K197 HydrophobicContact SD-CB 3.85Å; M1-I199 HydrophobicContact CB-CD1 3.7Å; M1-I199 HydrophobicContact CB-CG1 4.15Å; M1-I199 HydrophobicContact CE-CB 4.39Å; M1-I199 HydrophobicContact CE-CG1 4.25Å; M1-I199 HydrophobicContact CE-CG2 3.53Å; M1-I199 HydrophobicContact SD-CG1 4.43Å
2F88.6Confident87.7Confident12 Ų1246.8 Ų46.85%0.05324%0.24CC..Hα-helixtrans-53.2-52-174.4-178.5-103.1000114.4A4 A5 T6 V22 L25 L171 I199 F201 T205 I207F2-A4 PolarHBondContact O-N 3.24Å; F2-A4 VanDerWaalsContact O-N 3.16Å; F2-A5 PolarHBondContact O-N 2.97Å; F2-T6 HydrophobicContact CD1-CG2 4.03Å; F2-T6 HydrophobicContact CD2-CG2 4.22Å; F2-T6 HydrophobicContact CE1-CG2 3.61Å; F2-T6 HydrophobicContact CE2-CG2 3.81Å; F2-T6 HydrophobicContact CG-CG2 4.33Å; F2-T6 HydrophobicContact CZ-CG2 3.49Å; F2-T6 VanDerWaalsContact CZ-CG2 3.49Å; F2-T6 PolarHBondContact O-N 3.06Å; F2-T6 PolarHBondContact O-OG1 3.49Å; F2-V22 HydrophobicContact CE1-CB 4.18Å; F2-V22 HydrophobicContact CE1-CG1 3.89Å; F2-V22 HydrophobicContact CZ-CG1 4.41Å; F2-L25 HydrophobicContact CB-CD1 4.12Å; F2-L25 HydrophobicContact CB-CG 3.89Å; F2-L25 HydrophobicContact CD1-CD2 4.11Å; F2-L25 HydrophobicContact CD1-CG 3.81Å; F2-L25 HydrophobicContact CD2-CD1 4.3Å; F2-L25 HydrophobicContact CD2-CD2 3.33Å; F2-L25 HydrophobicContact CD2-CG 3.65Å; F2-L25 HydrophobicContact CE1-CD2 4.07Å; F2-L25 HydrophobicContact CE1-CG 4.18Å; F2-L25 HydrophobicContact CE2-CD2 3.3Å; F2-L25 HydrophobicContact CE2-CG 4.05Å; F2-L25 HydrophobicContact CG-CD1 4.21Å; F2-L25 HydrophobicContact CG-CD2 3.75Å; F2-L25 HydrophobicContact CG-CG 3.51Å; F2-L25 HydrophobicContact CZ-CD2 3.69Å; F2-L25 HydrophobicContact CZ-CG 4.29Å; F2-L171 HydrophobicContact CB-CD1 4.32Å; F2-L171 HydrophobicContact CD2-CD1 4.14Å; F2-I199 HydrophobicContact CB-CD1 3.88Å; F2-F201 HydrophobicContact CD2-CD1 4.32Å; F2-F201 AromaticContact CD2-CE1 3.99Å; F2-F201 HydrophobicContact CD2-CE1 3.99Å; F2-F201 HydrophobicContact CD2-CZ 4.28Å; F2-F201 HydrophobicContact CE2-CE1 4.14Å; F2-F201 HydrophobicContact CE2-CE2 4.28Å; F2-F201 AromaticContact CE2-CZ 3.96Å; F2-F201 HydrophobicContact CE2-CZ 3.96Å; F2-T205 HydrophobicContact CE2-CG2 4.28Å; F2-T205 HydrophobicContact CZ-CG2 4.21Å; F2-I207 HydrophobicContact CE2-CG2 4.2Å; F2-I207 HydrophobicContact CZ-CG2 4.32Å
3A89.1Confident87.5Confident33 Ų3346.7 Ų46.727%0.27324%0.243SC..Hα-helixtrans-58.9-29.2178.700000113.7M1 T6 K7 P23M1-A3 PolarHBondContact O-N 3.31Å; A3-T6 PolarHBondContact O-OG1 3.25Å; A3-K7 WeakPolarHBondContact O-CB 3.48Å; A3-K7 WeakPolarHBondContact O-CD 3.3Å; A3-K7 WeakPolarHBondContact O-CG 3.12Å; A3-K7 PolarHBondContact O-N 2.99Å; A3-P23 WeakPolarHBondContact CB-O 3.48Å
4A86.2Confident86.6Confident26 Ų2644.8 Ų44.822%0.21524%0.24CC..Hα-helixtrans-76.1-42.4176.200000110.7M1 F2 K7 S8 V100M1-A4 WeakPolarHBondContact O-CB 3.46Å; M1-A4 PolarHBondContact O-N 3.22Å; F2-A4 PolarHBondContact O-N 3.24Å; F2-A4 VanDerWaalsContact O-N 3.16Å; A4-K7 WeakPolarHBondContact O-CB 3.47Å; A4-K7 PolarHBondContact O-N 3.32Å; A4-S8 PolarHBondContact O-N 2.84Å; A4-V100 HydrophobicContact CB-CG2 4.33Å
5A88.3Confident84.5Confident9 Ų953 Ų537%0.07428%0.284CS..Hα-helixtrans-64.8-42.8177.100000112.1M1 F2 K7 S8 F9 A114 F116 L171M1-A5 PolarHBondContact O-N 3.36Å; F2-A5 PolarHBondContact O-N 2.97Å; A5-K7 VanDerWaalsContact C-N 3.35Å; A5-K7 PolarHBondContact O-N 3.14Å; A5-S8 PolarHBondContact O-N 3.48Å; A5-F9 WeakPolarHBondContact O-CB 3.48Å; A5-F9 PolarHBondContact O-N 3.19Å; A5-A114 HydrophobicContact CB-CB 4.04Å; A5-F116 HydrophobicContact CB-CE1 4.23Å; A5-F116 HydrophobicContact CB-CE2 4.23Å; A5-F116 HydrophobicContact CB-CZ 3.5Å; A5-L171 HydrophobicContact CB-CD1 3.72Å; A5-L171 HydrophobicContact CB-CD2 3.79Å; A5-L171 HydrophobicContact CB-CG 4.4Å
6T91.3Very high83.3Confident1 Ų153.8 Ų53.81%0.00631%0.309CS..Hα-helixtrans-65.2-37.3175.757.60000112F2 A3 V10 V22 F116 I207F2-T6 HydrophobicContact CD1-CG2 4.03Å; F2-T6 HydrophobicContact CD2-CG2 4.22Å; F2-T6 HydrophobicContact CE1-CG2 3.61Å; F2-T6 HydrophobicContact CE2-CG2 3.81Å; F2-T6 HydrophobicContact CG-CG2 4.33Å; F2-T6 HydrophobicContact CZ-CG2 3.49Å; F2-T6 VanDerWaalsContact CZ-CG2 3.49Å; F2-T6 PolarHBondContact O-N 3.06Å; F2-T6 PolarHBondContact O-OG1 3.49Å; A3-T6 PolarHBondContact O-OG1 3.25Å; T6-V10 WeakPolarHBondContact O-CG2 3.47Å; T6-V10 PolarHBondContact O-N 3.34Å; T6-V22 PolarHBondContact OG1-O 3.3Å; T6-F116 HydrophobicContact CG2-CZ 4.27Å; T6-I207 WeakPolarHBondContact CB-O 3.09Å; T6-I207 HydrophobicContact CG2-CB 4.05Å; T6-I207 HydrophobicContact CG2-CG2 4.39Å; T6-I207 WeakPolarHBondContact CG2-O 3.33Å
7K89.2Confident82.7Confident98 Ų9855.1 Ų55.143%0.42634%0.337SS..Hα-helixtrans-62.6-43.7170.7-74.6170.9-167177.10112.1A3 A4 A5 V10 K11 P21 D99A3-K7 WeakPolarHBondContact O-CB 3.48Å; A3-K7 WeakPolarHBondContact O-CD 3.3Å; A3-K7 WeakPolarHBondContact O-CG 3.12Å; A3-K7 PolarHBondContact O-N 2.99Å; A4-K7 WeakPolarHBondContact O-CB 3.47Å; A4-K7 PolarHBondContact O-N 3.32Å; A5-K7 VanDerWaalsContact C-N 3.35Å; A5-K7 PolarHBondContact O-N 3.14Å; K7-V10 PolarHBondContact O-N 2.8Å; K7-K11 WeakPolarHBondContact O-CB 3.31Å; K7-K11 PolarHBondContact O-N 2.8Å; K7-P21 HydrophobicContact CG-CB 4.21Å; K7-P21 HydrophobicContact CG-CG 3.96Å; K7-D99 IonicContact NZ-OD2 3.34Å; K7-D99 PolarHBondContact NZ-OD2 3.01Å
8S86.7Confident82.7Confident32 Ų3257.6 Ų57.622%0.22434%0.339CS..Hα-helixtrans-60.4-49.5176.7-168.80000110.3A4 A5 V10 K11 Q12 Y80 D82A4-S8 PolarHBondContact O-N 2.84Å; A5-S8 PolarHBondContact O-N 3.48Å; S8-V10 PolarHBondContact O-N 3.42Å; S8-K11 WeakPolarHBondContact O-CB 3.43Å; S8-K11 PolarHBondContact O-N 2.99Å; S8-K11 VanDerWaalsContact O-N 3.11Å; S8-Q12 WeakPolarHBondContact O-CG 3.33Å; S8-Q12 PolarHBondContact O-N 2.75Å; S8-Q12 PolarHBondContact OG-NE2 2.74Å; S8-Q12 VanDerWaalsContact OG-NE2 3.14Å; S8-Y80 PolarHBondContact OG-OH 2.93Å; S8-D82 PolarHBondContact OG-OD2 3.37Å
9F88.9Confident83.1Confident0 Ų056.4 Ų56.40%033%0.331CS..Hα-helixtrans-55.1-51176.5174.3-89.1000112.3A5 K11 Q12 V13 L78 Y80 F116 V119 I163 I207 A208A5-F9 WeakPolarHBondContact O-CB 3.48Å; A5-F9 PolarHBondContact O-N 3.19Å; F9-K11 VanDerWaalsContact C-N 3.29Å; F9-K11 PolarHBondContact O-N 3.39Å; F9-Q12 PolarHBondContact O-N 2.94Å; F9-V13 HydrophobicContact CD2-CG2 3.92Å; F9-V13 HydrophobicContact CE1-CB 4.26Å; F9-V13 HydrophobicContact CE1-CG1 4.4Å; F9-V13 HydrophobicContact CE1-CG2 4.27Å; F9-V13 HydrophobicContact CE2-CB 4.5Å; F9-V13 HydrophobicContact CE2-CG2 3.67Å; F9-V13 HydrophobicContact CG-CG2 4.33Å; F9-V13 HydrophobicContact CZ-CB 4.18Å; F9-V13 HydrophobicContact CZ-CG1 4.12Å; F9-V13 HydrophobicContact CZ-CG2 3.83Å; F9-V13 VanDerWaalsContact O-CB 3.31Å; F9-V13 WeakPolarHBondContact O-CB 3.48Å; F9-V13 WeakPolarHBondContact O-CG2 3.2Å; F9-V13 PolarHBondContact O-N 3.2Å; F9-L78 HydrophobicContact CE2-CD1 4.22Å; F9-Y80 HydrophobicContact CB-CE1 4.29Å; F9-Y80 HydrophobicContact CB-CE2 4.34Å; F9-Y80 HydrophobicContact CD2-CD1 4.02Å; F9-Y80 AromaticContact CD2-CD2 3.6Å; F9-Y80 HydrophobicContact CD2-CD2 3.6Å; F9-Y80 HydrophobicContact CD2-CE1 4.28Å; F9-Y80 AromaticContact CD2-CE2 3.92Å; F9-Y80 HydrophobicContact CD2-CE2 3.92Å; F9-Y80 AromaticContact CD2-CG 3.65Å; F9-Y80 HydrophobicContact CD2-CG 3.65Å; F9-Y80 HydrophobicContact CE2-CD2 4.14Å; F9-Y80 HydrophobicContact CE2-CG 4.14Å; F9-Y80 PolarHBondContact N-OH 2.73Å; F9-F116 HydrophobicContact CB-CD2 4.14Å; F9-F116 HydrophobicContact CB-CE2 3.73Å; F9-F116 AromaticContact CD2-CD2 3.9Å; F9-F116 HydrophobicContact CD2-CD2 3.9Å; F9-F116 HydrophobicContact CD2-CE2 4.35Å; F9-F116 HydrophobicContact CG-CD2 4.22Å; F9-F116 HydrophobicContact CG-CE2 4.22Å; F9-V119 HydrophobicContact CE2-CG2 4.08Å; F9-V119 HydrophobicContact CZ-CG2 4.15Å; F9-I163 HydrophobicContact CE1-CD1 3.8Å; F9-I163 HydrophobicContact CE1-CG2 4.09Å; F9-I163 HydrophobicContact CZ-CD1 4.12Å; F9-I163 HydrophobicContact CZ-CG2 3.84Å; F9-I207 HydrophobicContact CD1-CD1 3.94Å; F9-I207 HydrophobicContact CD1-CG1 4.45Å; F9-I207 HydrophobicContact CD2-CD1 3.95Å; F9-I207 HydrophobicContact CE1-CD1 3.83Å; F9-I207 HydrophobicContact CE1-CG1 4.33Å; F9-I207 HydrophobicContact CE2-CD1 3.82Å; F9-I207 HydrophobicContact CG-CD1 4.02Å; F9-I207 HydrophobicContact CZ-CD1 3.78Å; F9-A208 HydrophobicContact CD1-CB 4.28Å; F9-A208 HydrophobicContact CE1-CB 4.17Å
10V90.3Very high83.6Confident17 Ų1754.8 Ų54.810%0.10332%0.322CS..Hα-helixtrans-63.5-35.8178.9171.70000111.8T6 K7 S8 Q12 G14 L19 P21 A208T6-V10 WeakPolarHBondContact O-CG2 3.47Å; T6-V10 PolarHBondContact O-N 3.34Å; K7-V10 PolarHBondContact O-N 2.8Å; S8-V10 PolarHBondContact O-N 3.42Å; V10-Q12 VanDerWaalsContact C-N 3.34Å; V10-G14 CarbonylContact O-C 3.51Å; V10-G14 VanDerWaalsContact O-CA 3.23Å; V10-G14 WeakPolarHBondContact O-CA 3.28Å; V10-G14 PolarHBondContact O-N 3.44Å; V10-G14 VanDerWaalsContact O-O 3.06Å; V10-L19 HydrophobicContact CG1-CB 4.03Å; V10-L19 WeakPolarHBondContact CG1-O 3.49Å; V10-L19 HydrophobicContact CG2-CB 4.47Å; V10-P21 HydrophobicContact CB-CB 4.41Å; V10-P21 HydrophobicContact CG2-CB 3.92Å; V10-A208 HydrophobicContact CG2-CB 3.62Å
11K87.3Confident84.1Confident183 Ų18354 Ų5480%0.79632%0.319SS*.Hα-helixtrans-66.8-35.2177.2-173.3-175.7177-170.50112.6K7 S8 F9K7-K11 WeakPolarHBondContact O-CB 3.31Å; K7-K11 PolarHBondContact O-N 2.8Å; S8-K11 WeakPolarHBondContact O-CB 3.43Å; S8-K11 PolarHBondContact O-N 2.99Å; S8-K11 VanDerWaalsContact O-N 3.11Å; F9-K11 VanDerWaalsContact C-N 3.29Å; F9-K11 PolarHBondContact O-N 3.39Å
12Q85.4Confident84.7Confident108 Ų10852 Ų5251%0.50531%0.308SS..Hα-helixtrans-82.7-36.9-179.8-66.2-17730.600112.4S8 F9 V10 Y80 D82S8-Q12 WeakPolarHBondContact O-CG 3.33Å; S8-Q12 PolarHBondContact O-N 2.75Å; S8-Q12 PolarHBondContact OG-NE2 2.74Å; S8-Q12 VanDerWaalsContact OG-NE2 3.14Å; F9-Q12 PolarHBondContact O-N 2.94Å; V10-Q12 VanDerWaalsContact C-N 3.34Å; Q12-Y80 HydrophobicContact CB-CE2 4.45Å; Q12-Y80 PolarHBondContact NE2-OH 2.99Å; Q12-D82 VanDerWaalsContact NE2-CG 3.28Å; Q12-D82 PolarHBondContact NE2-OD1 3.39Å; Q12-D82 VanDerWaalsContact NE2-OD1 3.17Å; Q12-D82 PolarHBondContact NE2-OD2 3.48Å
13V85.2Confident84.8Confident45 Ų4554.3 Ų54.327%0.27333%0.325SS..Hα-helixtrans-95.9-26.3-173.5-179.60000112.8F9 L77 L78F9-V13 HydrophobicContact CD2-CG2 3.92Å; F9-V13 HydrophobicContact CE1-CB 4.26Å; F9-V13 HydrophobicContact CE1-CG1 4.4Å; F9-V13 HydrophobicContact CE1-CG2 4.27Å; F9-V13 HydrophobicContact CE2-CB 4.5Å; F9-V13 HydrophobicContact CE2-CG2 3.67Å; F9-V13 HydrophobicContact CG-CG2 4.33Å; F9-V13 HydrophobicContact CZ-CB 4.18Å; F9-V13 HydrophobicContact CZ-CG1 4.12Å; F9-V13 HydrophobicContact CZ-CG2 3.83Å; F9-V13 VanDerWaalsContact O-CB 3.31Å; F9-V13 WeakPolarHBondContact O-CB 3.48Å; F9-V13 WeakPolarHBondContact O-CG2 3.2Å; F9-V13 PolarHBondContact O-N 3.2Å; V13-L77 HydrophobicContact CG1-CD2 4.25Å; V13-L78 HydrophobicContact CG1-CD2 3.96Å; V13-L78 HydrophobicContact CG2-CD2 3.83Å
14G75.2Confident85Confident20 Ų2054.3 Ų54.321%0.20632%0.322CS..  trans-117.7112.1-17500000112.8V10V10-G14 CarbonylContact O-C 3.51Å; V10-G14 VanDerWaalsContact O-CA 3.23Å; V10-G14 WeakPolarHBondContact O-CA 3.28Å; V10-G14 PolarHBondContact O-N 3.44Å; V10-G14 VanDerWaalsContact O-O 3.06Å
15D55.4Low85.2Confident168 Ų16856 Ų5690%0.89833%0.328SS*.  trans-108.3-9.2174.862.5-5.6000113.3
16G64.8Low85.3Confident66 Ų6660.4 Ų60.468%0.6836%0.358SS*.SBendtrans-88.45.217900000116.3R18G16-R18 PolarHBondContact O-N 3.14Å
17G72.3Confident85.3Confident76 Ų7662.5 Ų62.578%0.78437%0.368SS*.SBendtrans652.6179.400000116.3
18R82.8Confident85.5Confident99 Ų9957.9 Ų57.937%0.37435%0.348SS..  trans-85.2-31.8-177.4-178.6170179.8-121.62.7113.4G16 E161 S210G16-R18 PolarHBondContact O-N 3.14Å; R18-E161 IonicContact CZ-OE1 2.7Å; R18-E161 IonicContact CZ-OE2 2.74Å; R18-E161 IonicContact NH1-OE1 3.77Å; R18-E161 PolarHBondContact NH1-OE1 3.04Å; R18-E161 IonicContact NH1-OE2 2.79Å; R18-E161 PolarHBondContact NH1-OE2 3.44Å; R18-E161 IonicContact NH2-OE1 2.63Å; R18-S210 WeakPolarHBondContact O-CB 3.42Å
19L90.6Very high85.7Confident35 Ų3561.1 Ų61.118%0.18336%0.363CS..  trans-78.9135.8176.2-74.8173.3000110.7V10 I163V10-L19 HydrophobicContact CG1-CB 4.03Å; V10-L19 WeakPolarHBondContact CG1-O 3.49Å; V10-L19 HydrophobicContact CG2-CB 4.47Å; L19-I163 HydrophobicContact CD1-CD1 3.9Å; L19-I163 HydrophobicContact CD2-CD1 3.93Å
20V93Very high86Confident25 Ų2565.5 Ų65.515%0.15238%0.381CS..EExtended strand (participates in β ladder)trans-118.5129.4-179.5-176.40000108.5F51 A208 F209V20-F51 HydrophobicContact CG1-CD2 3.71Å; V20-F51 HydrophobicContact CG1-CE2 4.06Å; V20-F51 HydrophobicContact CG2-CD2 4.23Å; V20-F51 HydrophobicContact CG2-CE2 3.75Å; V20-F51 HydrophobicContact CG2-CZ 4.25Å; V20-A208 VanDerWaalsContact O-CA 3.29Å; V20-A208 WeakPolarHBondContact O-CA 3.29Å; V20-F209 HydrophobicContact CB-CD1 4.34Å; V20-F209 HydrophobicContact CB-CD2 4.43Å; V20-F209 HydrophobicContact CB-CE1 3.94Å; V20-F209 HydrophobicContact CB-CE2 4.03Å; V20-F209 HydrophobicContact CB-CZ 3.77Å; V20-F209 HydrophobicContact CG1-CE1 3.79Å; V20-F209 HydrophobicContact CG1-CE2 4.23Å; V20-F209 HydrophobicContact CG1-CZ 3.55Å; V20-F209 HydrophobicContact CG2-CE2 4.49Å; V20-F209 PolarHBondContact N-O 3.45Å; V20-F209 WeakPolarHBondContact O-CD1 3.43Å; V20-F209 PolarHBondContact O-N 2.85Å
21P93.9Very high86.2Confident39 Ų3964.7 Ų64.725%0.25338%0.376SS..EExtended strand (participates in β ladder)trans-71.6139.3177.929.2-34.2000110.5K7 V10K7-P21 HydrophobicContact CG-CB 4.21Å; K7-P21 HydrophobicContact CG-CG 3.96Å; V10-P21 HydrophobicContact CB-CB 4.41Å; V10-P21 HydrophobicContact CG2-CB 3.92Å
22V94.8Very high86.6Confident0 Ų059.4 Ų59.40%036%0.355CS..  trans-67.7128.1173.3174.10000109.2F2 T6 S24 A28 Y31 T206 I207 F209F2-V22 HydrophobicContact CE1-CB 4.18Å; F2-V22 HydrophobicContact CE1-CG1 3.89Å; F2-V22 HydrophobicContact CZ-CG1 4.41Å; T6-V22 PolarHBondContact OG1-O 3.3Å; V22-S24 WeakPolarHBondContact CG1-O 3.24Å; V22-A28 HydrophobicContact CG1-CB 4.11Å; V22-Y31 HydrophobicContact CG1-CD2 3.95Å; V22-Y31 HydrophobicContact CG1-CE2 4Å; V22-Y31 HydrophobicContact CG2-CD2 3.97Å; V22-Y31 HydrophobicContact CG2-CG 4.42Å; V22-T206 HydrophobicContact CG2-CG2 3.94Å; V22-T206 WeakPolarHBondContact CG2-O 3.37Å; V22-I207 PolarHBondContact N-O 3.46Å; V22-F209 HydrophobicContact CG2-CD1 3.81Å; V22-F209 HydrophobicContact CG2-CE1 4.28Å
23P91.1Very high87.1Confident61 Ų6155 Ų5540%0.39634%0.336SS..  trans-78.2-27.4-170.730.1-36000113.7A3A3-P23 WeakPolarHBondContact CB-O 3.48Å
24S91.8Very high87.6Confident32 Ų3254 Ų5422%0.22433%0.328CS..  trans-151.2150.3-17671.20000111.7V22 S26 E27 A28V22-S24 WeakPolarHBondContact CG1-O 3.24Å; S24-S26 VanDerWaalsContact C-N 3.31Å; S24-S26 PolarHBondContact O-N 2.74Å; S24-S26 PolarHBondContact OG-OG 2.77Å; S24-E27 PolarHBondContact O-N 3.18Å; S24-E27 WeakPolarHBondContact OG-CG 3.22Å; S24-E27 PolarHBondContact OG-N 3.4Å; S24-E27 PolarHBondContact OG-OE2 3.39Å; S24-A28 PolarHBondContact O-N 3.38Å
25L91.1Very high88.6Confident63 Ų6353.7 Ų53.733%0.3332%0.323SS..G310 helixtrans-62.1-39.1175.7-79.5168.8000112F2 E27 A28 I199 F201 T205F2-L25 HydrophobicContact CB-CD1 4.12Å; F2-L25 HydrophobicContact CB-CG 3.89Å; F2-L25 HydrophobicContact CD1-CD2 4.11Å; F2-L25 HydrophobicContact CD1-CG 3.81Å; F2-L25 HydrophobicContact CD2-CD1 4.3Å; F2-L25 HydrophobicContact CD2-CD2 3.33Å; F2-L25 HydrophobicContact CD2-CG 3.65Å; F2-L25 HydrophobicContact CE1-CD2 4.07Å; F2-L25 HydrophobicContact CE1-CG 4.18Å; F2-L25 HydrophobicContact CE2-CD2 3.3Å; F2-L25 HydrophobicContact CE2-CG 4.05Å; F2-L25 HydrophobicContact CG-CD1 4.21Å; F2-L25 HydrophobicContact CG-CD2 3.75Å; F2-L25 HydrophobicContact CG-CG 3.51Å; F2-L25 HydrophobicContact CZ-CD2 3.69Å; F2-L25 HydrophobicContact CZ-CG 4.29Å; L25-E27 PolarHBondContact O-N 3.46Å; L25-E27 VanDerWaalsContact O-N 3.17Å; L25-A28 VanDerWaalsContact O-CB 3.31Å; L25-A28 WeakPolarHBondContact O-CB 3.39Å; L25-A28 PolarHBondContact O-N 2.81Å; L25-A28 VanDerWaalsContact O-N 3.13Å; L25-I199 HydrophobicContact CD1-CD1 4.16Å; L25-F201 HydrophobicContact CD1-CB 4.22Å; L25-F201 HydrophobicContact CD2-CB 3.7Å; L25-F201 HydrophobicContact CD2-CD1 4.05Å; L25-F201 HydrophobicContact CD2-CD2 4.1Å; L25-F201 HydrophobicContact CD2-CG 3.7Å; L25-T205 HydrophobicContact CD2-CG2 3.95Å
26S91.4Very high90.6Very high100 Ų10045.7 Ų45.770%0.69928%0.28SS*.G310 helixtrans-63.7-20.8-178.650.30000114.3S24S24-S26 VanDerWaalsContact C-N 3.31Å; S24-S26 PolarHBondContact O-N 2.74Å; S24-S26 PolarHBondContact OG-OG 2.77Å
27E91.1Very high92.1Very high46 Ų4642.5 Ų42.522%0.21525%0.248CC..G310 helixtrans-105.8-3.3178.6-63.4-172.9123.300112.8S24 L25 D29 K30 Y31 S53S24-E27 PolarHBondContact O-N 3.18Å; S24-E27 WeakPolarHBondContact OG-CG 3.22Å; S24-E27 PolarHBondContact OG-N 3.4Å; S24-E27 PolarHBondContact OG-OE2 3.39Å; L25-E27 PolarHBondContact O-N 3.46Å; L25-E27 VanDerWaalsContact O-N 3.17Å; E27-D29 VanDerWaalsContact C-N 3.25Å; E27-D29 PolarHBondContact O-N 3.28Å; E27-K30 HydrophobicContact CB-CD 4.43Å; E27-K30 WeakPolarHBondContact O-CB 3.5Å; E27-K30 PolarHBondContact O-N 3.49Å; E27-Y31 HydrophobicContact CB-CE2 3.72Å; E27-Y31 WeakPolarHBondContact O-CD2 3.27Å; E27-Y31 VanDerWaalsContact O-CE2 3.27Å; E27-Y31 WeakPolarHBondContact O-CE2 3.35Å; E27-S53 PolarHBondContact OE1-OG 3.23Å
28A93.3Very high93.1Very high1 Ų140.1 Ų40.11%0.00822%0.218CC..G310 helixtrans-55.5-41.3-173.800000112.6V22 S24 L25 K30 Y31 T205 T206V22-A28 HydrophobicContact CG1-CB 4.11Å; S24-A28 PolarHBondContact O-N 3.38Å; L25-A28 VanDerWaalsContact O-CB 3.31Å; L25-A28 WeakPolarHBondContact O-CB 3.39Å; L25-A28 PolarHBondContact O-N 2.81Å; L25-A28 VanDerWaalsContact O-N 3.13Å; A28-K30 PolarHBondContact O-N 3.1Å; A28-Y31 PolarHBondContact O-N 2.82Å; A28-T205 HydrophobicContact CB-CG2 3.69Å; A28-T206 WeakPolarHBondContact CB-O 3.29Å; A28-T206 WeakPolarHBondContact O-CB 3.48Å; A28-T206 PolarHBondContact O-OG1 2.88Å
29D91.2Very high93.6Very high100 Ų10037 Ų3754%0.53521%0.207SC..G310 helixtrans-70.6-12.5-178.8-61.4-34.5000113.8E27 Q32E27-D29 VanDerWaalsContact C-N 3.25Å; E27-D29 PolarHBondContact O-N 3.28Å; D29-Q32 WeakPolarHBondContact O-CG 3.26Å; D29-Q32 PolarHBondContact O-NE2 2.95Å
30K93.9Very high93.4Very high91 Ų9141 Ų4140%0.39622%0.223SC..G310 helixtrans-87.4-10.7179.6-56.5177.8-178.8176.10113.3E27 A28 Q32 S35 S53E27-K30 HydrophobicContact CB-CD 4.43Å; E27-K30 WeakPolarHBondContact O-CB 3.5Å; E27-K30 PolarHBondContact O-N 3.49Å; A28-K30 PolarHBondContact O-N 3.1Å; K30-Q32 VanDerWaalsContact C-N 3.33Å; K30-Q32 PolarHBondContact O-N 3.04Å; K30-S35 VanDerWaalsContact O-CB 3.29Å; K30-S35 WeakPolarHBondContact O-CB 3.06Å; K30-S35 PolarHBondContact O-OG 3.13Å; K30-S53 WeakPolarHBondContact CD-OG 3.3Å
31Y95.8Very high92.4Very high0 Ų044.4 Ų44.40%024%0.236CC..  trans-98.844.7-178.8-60.2-74.9000111.8V22 E27 A28 V37 S162 F209V22-Y31 HydrophobicContact CG1-CD2 3.95Å; V22-Y31 HydrophobicContact CG1-CE2 4Å; V22-Y31 HydrophobicContact CG2-CD2 3.97Å; V22-Y31 HydrophobicContact CG2-CG 4.42Å; E27-Y31 HydrophobicContact CB-CE2 3.72Å; E27-Y31 WeakPolarHBondContact O-CD2 3.27Å; E27-Y31 VanDerWaalsContact O-CE2 3.27Å; E27-Y31 WeakPolarHBondContact O-CE2 3.35Å; A28-Y31 PolarHBondContact O-N 2.82Å; Y31-V37 HydrophobicContact CD1-CG1 3.71Å; Y31-V37 HydrophobicContact CE1-CG1 3.71Å; Y31-S162 WeakPolarHBondContact O-CB 3.46Å; Y31-F209 AromaticContact CD1-CD1 3.83Å; Y31-F209 HydrophobicContact CD1-CD1 3.83Å; Y31-F209 HydrophobicContact CD1-CD2 4.09Å; Y31-F209 AromaticContact CD1-CE1 3.66Å; Y31-F209 HydrophobicContact CD1-CE1 3.66Å; Y31-F209 AromaticContact CD1-CE2 3.94Å; Y31-F209 HydrophobicContact CD1-CE2 3.94Å; Y31-F209 HydrophobicContact CD1-CG 4.04Å; Y31-F209 AromaticContact CD1-CZ 3.72Å; Y31-F209 HydrophobicContact CD1-CZ 3.72Å; Y31-F209 HydrophobicContact CD2-CE1 4.49Å; Y31-F209 HydrophobicContact CE1-CD1 4.43Å; Y31-F209 AromaticContact CE1-CE1 3.8Å; Y31-F209 HydrophobicContact CE1-CE1 3.8Å; Y31-F209 HydrophobicContact CE1-CE2 4.19Å; Y31-F209 AromaticContact CE1-CZ 3.66Å; Y31-F209 HydrophobicContact CE1-CZ 3.66Å; Y31-F209 AromaticContact CG-CD1 3.88Å; Y31-F209 HydrophobicContact CG-CD1 3.88Å; Y31-F209 HydrophobicContact CG-CE1 4.03Å; Y31-F209 HydrophobicContact CG-CG 4.26Å
32Q94.9Very high91.2Very high72 Ų7250.4 Ų50.434%0.33625%0.253SS..  trans-86.7157.3177.2-68.5-176.56.900111.1D29 K30 L34 S35 V159D29-Q32 WeakPolarHBondContact O-CG 3.26Å; D29-Q32 PolarHBondContact O-NE2 2.95Å; K30-Q32 VanDerWaalsContact C-N 3.33Å; K30-Q32 PolarHBondContact O-N 3.04Å; Q32-L34 PolarHBondContact O-N 3.24Å; Q32-S35 WeakPolarHBondContact O-CB 3.19Å; Q32-S35 PolarHBondContact O-N 3.47Å; Q32-S35 PolarHBondContact O-OG 3.17Å; Q32-V159 VanDerWaalsContact O-CB 3.28Å; Q32-V159 WeakPolarHBondContact O-CB 3.42Å; Q32-V159 WeakPolarHBondContact O-CG1 3.4Å
33P95.8Very high89.7Confident17 Ų1752.2 Ų52.211%0.1127%0.266CS..THydrogen-bonded Turntrans-50.9142175.1-25.236.2000111.6S35 I72 H122 V124 V159 S162P33-S35 PolarHBondContact O-N 3.36Å; P33-I72 HydrophobicContact CB-CD1 3.98Å; P33-I72 HydrophobicContact CB-CG1 4.27Å; P33-I72 HydrophobicContact CG-CD1 4.46Å; P33-I72 HydrophobicContact CG-CG2 4.2Å; P33-H122 HydrophobicContact CG-CB 3.95Å; P33-V124 HydrophobicContact CB-CG2 3.63Å; P33-V159 CarbonylContact C-O 3.51Å; P33-S162 WeakPolarHBondContact CD-OG 3.46Å
34L95.6Very high88.1Confident22 Ų2259.2 Ų59.212%0.11529%0.291CS..THydrogen-bonded Turntrans67.1-1.9-174-53.5173.9000116.2Q32 T57 L58 I68 V124 L129 V158 V159Q32-L34 PolarHBondContact O-N 3.24Å; L34-T57 WeakPolarHBondContact O-CA 3.24Å; L34-L58 HydrophobicContact CD2-CD2 4.46Å; L34-L58 PolarHBondContact O-N 3.48Å; L34-I68 HydrophobicContact CD1-CB 4.39Å; L34-I68 HydrophobicContact CD1-CG2 4.05Å; L34-V124 HydrophobicContact CD2-CG1 4.02Å; L34-V124 HydrophobicContact CD2-CG2 3.95Å; L34-V124 HydrophobicContact CG-CG2 4.03Å; L34-L129 HydrophobicContact CD2-CD1 4.04Å; L34-L129 HydrophobicContact CD2-CD2 4.18Å; L34-V158 HydrophobicContact CD2-CG1 4.44Å; L34-V159 PolarHBondContact N-O 2.84Å
35S96.5Very high86.4Confident14 Ų1464.2 Ų64.210%0.09831%0.314CS..EExtended strand (participates in β ladder)trans-70149.2172.5-57.30000111.3K30 Q32 P33 V159K30-S35 VanDerWaalsContact O-CB 3.29Å; K30-S35 WeakPolarHBondContact O-CB 3.06Å; K30-S35 PolarHBondContact O-OG 3.13Å; Q32-S35 WeakPolarHBondContact O-CB 3.19Å; Q32-S35 PolarHBondContact O-N 3.47Å; Q32-S35 PolarHBondContact O-OG 3.17Å; P33-S35 PolarHBondContact O-N 3.36Å; S35-V159 WeakPolarHBondContact O-CG2 3.43Å; S35-V159 PolarHBondContact O-N 2.98Å
36L96.8Very high84.8Confident0 Ų067.8 Ų67.80%033%0.327CS..EExtended strand (participates in β ladder)trans-93.1137.1177.2-67.5169.9000111.7T54 F56 T57 I61 L144 C157 V158 L214L36-T54 WeakPolarHBondContact CB-OG1 3.11Å; L36-T54 WeakPolarHBondContact O-CB 3.1Å; L36-T54 WeakPolarHBondContact O-CG2 3.29Å; L36-T54 PolarHBondContact O-N 3.22Å; L36-T54 PolarHBondContact O-OG1 2.92Å; L36-F56 WeakPolarHBondContact CB-O 3.31Å; L36-F56 HydrophobicContact CD1-CB 4.17Å; L36-F56 PolarHBondContact N-O 2.91Å; L36-T57 VanDerWaalsContact CD1-O 3.29Å; L36-T57 WeakPolarHBondContact CD1-O 3.32Å; L36-I61 HydrophobicContact CD1-CB 4.32Å; L36-I61 HydrophobicContact CD1-CD1 3.66Å; L36-I61 HydrophobicContact CD1-CG1 3.87Å; L36-I61 HydrophobicContact CD1-CG2 3.51Å; L36-I61 HydrophobicContact CD2-CD1 4.11Å; L36-L144 HydrophobicContact CB-CD2 4.44Å; L36-L144 HydrophobicContact CD1-CD2 3.89Å; L36-C157 WeakPolarHBondContact CA-O 3.5Å; L36-V158 HydrophobicContact CD2-CG2 3.85Å; L36-L214 HydrophobicContact CD2-CD1 4Å
37V96.1Very high83.1Confident0 Ų066.8 Ų66.80%032%0.318CS..EExtended strand (participates in β ladder)trans-130150.4172.8-590000110.4Y31 F51 T52 C157 V159 V211Y31-V37 HydrophobicContact CD1-CG1 3.71Å; Y31-V37 HydrophobicContact CE1-CG1 3.71Å; V37-F51 HydrophobicContact CG2-CD1 3.95Å; V37-T52 WeakPolarHBondContact CA-O 3.29Å; V37-C157 HydrophobicContact CG2-CB 3.84Å; V37-C157 PolarHBondContact N-O 2.98Å; V37-C157 PolarHBondContact O-N 2.89Å; V37-V159 HydrophobicContact CG1-CG2 3.82Å; V37-V159 HydrophobicContact CG2-CG2 4.46Å; V37-V211 HydrophobicContact CG2-CG1 3.72Å
38V94.6Very high82Confident26 Ų2674.6 Ų74.616%0.15835%0.346CS..EExtended strand (participates in β ladder)trans-100.5117.9175.9178.70000109.3F51 T52 T54 L144 A154 L156V38-F51 WeakPolarHBondContact O-CA 3.43Å; V38-T52 PolarHBondContact N-O 3.12Å; V38-T52 PolarHBondContact O-N 3.23Å; V38-T54 HydrophobicContact CG2-CG2 3.83Å; V38-L144 HydrophobicContact CG2-CD1 4.41Å; V38-A154 HydrophobicContact CG1-CB 3.74Å; V38-L156 HydrophobicContact CG2-CD2 3.96Å
39K92.1Very high81.1Confident34 Ų3480.8 Ų80.815%0.14837%0.37CS..EExtended strand (participates in β ladder)trans-87.2114.5169.3-175.5179.2180177.30109.5Y49 F51 V155 C157 E213K39-Y49 HydrophobicContact CD-CD1 4.39Å; K39-Y49 VanDerWaalsContact CE-CD1 3.4Å; K39-Y49 VanDerWaalsContact CE-CG 3.49Å; K39-Y49 HydrophobicContact CG-CD1 4.21Å; K39-F51 HydrophobicContact CB-CD1 3.97Å; K39-F51 HydrophobicContact CB-CE1 3.62Å; K39-F51 HydrophobicContact CB-CZ 4.32Å; K39-F51 HydrophobicContact CD-CE1 3.9Å; K39-F51 HydrophobicContact CD-CZ 3.85Å; K39-F51 HydrophobicContact CG-CD1 4.34Å; K39-F51 HydrophobicContact CG-CE1 3.72Å; K39-F51 HydrophobicContact CG-CZ 3.9Å; K39-V155 HydrophobicContact CB-CB 4.42Å; K39-V155 PolarHBondContact N-O 3.04Å; K39-V155 PolarHBondContact O-N 3.05Å; K39-C157 VanDerWaalsContact CB-SG 3.58Å; K39-E213 VanDerWaalsContact CD-OE1 3.25Å; K39-E213 WeakPolarHBondContact CD-OE1 3.43Å; K39-E213 WeakPolarHBondContact CE-OE1 3.41Å; K39-E213 IonicContact NZ-OE1 3.04Å; K39-E213 PolarHBondContact NZ-OE1 2.54Å
40K86.8Confident80.8Confident117 Ų11782.8 Ų82.851%0.50937%0.374SS..EExtended strand (participates in β ladder)trans-87.9122.9173.6-164.6171.2-177.2174.70109.9K50 K153K40-K50 PolarHBondContact N-O 3.49Å; K40-K153 WeakPolarHBondContact CA-O 3.36Å
41K72.9Confident80.6Confident98 Ų9880 Ų8043%0.42636%0.362SS..PPolyproline II helixtrans-60.4145.5178.2-71.1-175.8178.4175.30111.1C43 K153K41-C43 PolarHBondContact O-N 3.17Å; K41-K153 HydrophobicContact CB-CB 4.5Å; K41-K153 PolarHBondContact N-O 2.82Å
42R68.5Low80.5Confident164 Ų16483 Ų8362%0.61938%0.38SS*.PPolyproline II helixtrans-48.9133.9174.2-166.4178.6176.2160.64.8109.8F46 P47 Y49R42-F46 VanDerWaalsContact CG-O 3.28Å; R42-F46 WeakPolarHBondContact CG-O 3.43Å; R42-P47 WeakPolarHBondContact CD-O 3.47Å; R42-P47 PolarHBondContact NE-O 3.27Å; R42-Y49 HydrophobicContact CB-CE1 4.47Å
43C61.9Low80.4Confident39 Ų3980.3 Ų80.326%0.26437%0.369SS..BIsolated β-bridgetrans-125.7163.9165.360.40000108.8K41 L45 F46K41-C43 PolarHBondContact O-N 3.17Å; C43-L45 PolarHBondContact O-N 3.13Å; C43-F46 PolarHBondContact N-O 3.27Å; C43-F46 CarbonylContact O-C 3.57Å; C43-F46 VanDerWaalsContact O-C 3.27Å; C43-F46 PolarHBondContact O-N 3.36Å
44F57.3Low80.4Confident208 Ų20880.1 Ų80.191%0.91237%0.368SS*.THydrogen-bonded Turntrans-49.7-34.9-176.5-176.1-102.8000113.5
45L56.8Low80.4Confident137 Ų13784.4 Ų84.472%0.71740%0.397SS*.THydrogen-bonded Turntrans-79.9-14.9178.5-60.9172.6000115.3C43C43-L45 PolarHBondContact O-N 3.13Å
46F58.5Low80.3Confident137 Ų13786.7 Ų86.760%0.60141%0.405SS*.BIsolated β-bridgetrans-137.397-178.2-64.1-68.2000109.7R42 C43 R48R42-F46 VanDerWaalsContact CG-O 3.28Å; R42-F46 WeakPolarHBondContact CG-O 3.43Å; C43-F46 PolarHBondContact N-O 3.27Å; C43-F46 CarbonylContact O-C 3.57Å; C43-F46 VanDerWaalsContact O-C 3.27Å; C43-F46 PolarHBondContact O-N 3.36Å; F46-R48 PolarHBondContact O-N 3.45Å
47P55.2Low80.3Confident79 Ų7988.9 Ų88.951%0.51342%0.419SS..SBendtrans-72-9.7-172.627.5-33.9000113.9R42R42-P47 WeakPolarHBondContact CD-O 3.47Å; R42-P47 PolarHBondContact NE-O 3.27Å
48R67.4Low80.2Confident211 Ų21188.9 Ų88.980%0.79642%0.419SS*.SBendtrans-114.8148.4178.2-65.3-175.6177.4143.91.1111F46F46-R48 PolarHBondContact O-N 3.45Å
49Y74.2Confident80.1Confident131 Ų13191 Ų9151%0.51443%0.426SS..  trans-61.6138.5170.2-62.1-77.1000109.9K39 R42K39-Y49 HydrophobicContact CD-CD1 4.39Å; K39-Y49 VanDerWaalsContact CE-CD1 3.4Å; K39-Y49 VanDerWaalsContact CE-CG 3.49Å; K39-Y49 HydrophobicContact CG-CD1 4.21Å; R42-Y49 HydrophobicContact CB-CE1 4.47Å
50K84.9Confident80.2Confident142 Ų14292.8 Ų92.862%0.61744%0.437SS*.EExtended strand (participates in β ladder)trans-111.3126.3173.7-172.5176.4180179.20109K40K40-K50 PolarHBondContact N-O 3.49Å
51F90.8Very high80.6Confident32 Ų3287.2 Ų87.214%0.1441%0.413CS..EExtended strand (participates in β ladder)trans-93.7137.7170.8-67.5-87000109.5V20 V37 V38 K39 F209 V211V20-F51 HydrophobicContact CG1-CD2 3.71Å; V20-F51 HydrophobicContact CG1-CE2 4.06Å; V20-F51 HydrophobicContact CG2-CD2 4.23Å; V20-F51 HydrophobicContact CG2-CE2 3.75Å; V20-F51 HydrophobicContact CG2-CZ 4.25Å; V37-F51 HydrophobicContact CG2-CD1 3.95Å; V38-F51 WeakPolarHBondContact O-CA 3.43Å; K39-F51 HydrophobicContact CB-CD1 3.97Å; K39-F51 HydrophobicContact CB-CE1 3.62Å; K39-F51 HydrophobicContact CB-CZ 4.32Å; K39-F51 HydrophobicContact CD-CE1 3.9Å; K39-F51 HydrophobicContact CD-CZ 3.85Å; K39-F51 HydrophobicContact CG-CD1 4.34Å; K39-F51 HydrophobicContact CG-CE1 3.72Å; K39-F51 HydrophobicContact CG-CZ 3.9Å; F51-F209 HydrophobicContact CB-CE2 4.49Å; F51-F209 HydrophobicContact CB-CZ 4Å; F51-F209 HydrophobicContact CD1-CE2 4.46Å; F51-F209 HydrophobicContact CG-CE2 4.35Å; F51-F209 HydrophobicContact CG-CZ 4.19Å; F51-V211 HydrophobicContact CE1-CG2 3.8Å; F51-V211 HydrophobicContact CZ-CG2 4.14Å
52T92.4Very high81.7Confident63 Ų6383 Ų8339%0.38740%0.395SS..EExtended strand (participates in β ladder)trans-124.2132.2174.8-50.90000108.4V37 V38V37-T52 WeakPolarHBondContact CA-O 3.29Å; V38-T52 PolarHBondContact N-O 3.12Å; V38-T52 PolarHBondContact O-N 3.23Å
53S94.5Very high82.8Confident16 Ų1679.7 Ų79.711%0.11239%0.389CS..EExtended strand (participates in β ladder)trans-65.8151.417867.50000111.1E27 K30E27-S53 PolarHBondContact OE1-OG 3.23Å; K30-S53 WeakPolarHBondContact CD-OG 3.3Å
54T95.1Very high84Confident13 Ų1380 Ų808%0.0840%0.399CS..EExtended strand (participates in β ladder)trans-124.8157.2167.881.10000108.8L36 V38 F56 L144L36-T54 WeakPolarHBondContact CB-OG1 3.11Å; L36-T54 WeakPolarHBondContact O-CB 3.1Å; L36-T54 WeakPolarHBondContact O-CG2 3.29Å; L36-T54 PolarHBondContact O-N 3.22Å; L36-T54 PolarHBondContact O-OG1 2.92Å; V38-T54 HydrophobicContact CG2-CG2 3.83Å; T54-F56 PolarHBondContact O-N 3.4Å; T54-F56 PolarHBondContact OG1-N 3.28Å; T54-F56 PolarHBondContact OG1-O 2.71Å; T54-L144 HydrophobicContact CG2-CD1 4.12Å; T54-L144 HydrophobicContact CG2-CD2 4.31Å
55P94.8Very high85Confident112 Ų11277.8 Ų77.873%0.72740%0.397SS*.EExtended strand (participates in β ladder)trans-814.3175.734.8-36.1000113
56F95.6Very high86.2Confident61 Ų6180.4 Ų80.427%0.26840%0.397SS..EExtended strand (participates in β ladder)trans-107.2149.6-173-57.6-74.4000111.4L36 T54 D60 H142 L144L36-F56 WeakPolarHBondContact CB-O 3.31Å; L36-F56 HydrophobicContact CD1-CB 4.17Å; L36-F56 PolarHBondContact N-O 2.91Å; T54-F56 PolarHBondContact O-N 3.4Å; T54-F56 PolarHBondContact OG1-N 3.28Å; T54-F56 PolarHBondContact OG1-O 2.71Å; F56-D60 HydrophobicContact CB-CB 4.42Å; F56-D60 HydrophobicContact CD1-CB 4.27Å; F56-H142 AromaticContact CD1-CE1 3.64Å; F56-H142 AromaticContact CD1-NE2 3.53Å; F56-H142 AromaticContact CD2-CE1 3.94Å; F56-H142 AromaticContact CE1-CE1 3.61Å; F56-H142 AromaticContact CE1-NE2 3.53Å; F56-H142 AromaticContact CE2-CE1 3.89Å; F56-H142 AromaticContact CG-CE1 3.81Å; F56-H142 AromaticContact CZ-CE1 3.73Å; F56-L144 HydrophobicContact CB-CD2 4.27Å; F56-L144 HydrophobicContact CD2-CB 4.17Å; F56-L144 HydrophobicContact CD2-CD2 3.92Å; F56-L144 HydrophobicContact CE2-CB 4.3Å; F56-L144 HydrophobicContact CG-CD2 4.44Å
57T95Very high87.5Confident47 Ų4780.9 Ų80.929%0.28840%0.401SS..EExtended strand (participates in β ladder)trans-102.9168.617269.50000110.7L34 L36 K59 D60L34-T57 WeakPolarHBondContact O-CA 3.24Å; L36-T57 VanDerWaalsContact CD1-O 3.29Å; L36-T57 WeakPolarHBondContact CD1-O 3.32Å; T57-K59 PolarHBondContact O-N 2.85Å; T57-K59 PolarHBondContact OG1-N 3.45Å; T57-D60 WeakPolarHBondContact CB-OD2 3.44Å; T57-D60 PolarHBondContact N-OD2 2.87Å; T57-D60 PolarHBondContact O-N 2.89Å; T57-D60 VanDerWaalsContact OG1-CG 3.28Å; T57-D60 PolarHBondContact OG1-OD2 3.19Å
58L94.8Very high88.9Confident0 Ų078.4 Ų78.40%038%0.383CS..THydrogen-bonded Turntrans-56.9-36174.8179.559.1000111.5L34 D60 I61 L62 I68 L129 I133 V158 F222L34-L58 HydrophobicContact CD2-CD2 4.46Å; L34-L58 PolarHBondContact O-N 3.48Å; L58-D60 VanDerWaalsContact C-N 3.31Å; L58-D60 PolarHBondContact O-N 2.87Å; L58-I61 HydrophobicContact CD1-CD1 4.1Å; L58-I61 HydrophobicContact CD1-CG1 4.28Å; L58-I61 VanDerWaalsContact O-CG1 3.24Å; L58-I61 WeakPolarHBondContact O-CG1 3.41Å; L58-I61 PolarHBondContact O-N 3.01Å; L58-L62 HydrophobicContact CD1-CD1 4.46Å; L58-L62 HydrophobicContact CG-CD1 4.19Å; L58-L62 VanDerWaalsContact O-CG 3.26Å; L58-L62 WeakPolarHBondContact O-CG 3.43Å; L58-I68 HydrophobicContact CB-CD1 4.03Å; L58-I68 HydrophobicContact CD2-CD1 3.99Å; L58-I68 HydrophobicContact CG-CD1 3.88Å; L58-L129 HydrophobicContact CD2-CD1 4.08Å; L58-I133 HydrophobicContact CD2-CG2 4.33Å; L58-V158 HydrophobicContact CB-CG1 4.39Å; L58-V158 HydrophobicContact CB-CG2 4.43Å; L58-V158 HydrophobicContact CD1-CG2 3.99Å; L58-V158 HydrophobicContact CD2-CG1 4.28Å; L58-V158 HydrophobicContact CD2-CG2 4.19Å; L58-V158 HydrophobicContact CG-CG2 4.43Å; L58-F222 HydrophobicContact CD1-CE2 4.29Å
59K93.6Very high89.5Confident69 Ų6972.8 Ų72.830%0.338%0.377SS..G310 helixtrans-59.6-42.4178.4-178.1-173.8174.8-173.60111.7T57 I61 L62 E67 I68T57-K59 PolarHBondContact O-N 2.85Å; T57-K59 PolarHBondContact OG1-N 3.45Å; K59-I61 PolarHBondContact O-N 2.8Å; K59-L62 PolarHBondContact O-N 3.48Å; K59-L62 VanDerWaalsContact O-N 3.14Å; K59-E67 IonicContact NZ-OE1 3.48Å; K59-E67 PolarHBondContact NZ-OE1 2.91Å; K59-I68 HydrophobicContact CB-CD1 4.14Å; K59-I68 HydrophobicContact CB-CG1 4.43Å
60D94.3Very high89.8Confident73 Ų7366.9 Ų66.939%0.3936%0.355SS..G310 helixtrans-67.9-23.4-170.9-54.3-41.5000113.4F56 T57 L58 H142F56-D60 HydrophobicContact CB-CB 4.42Å; F56-D60 HydrophobicContact CD1-CB 4.27Å; T57-D60 WeakPolarHBondContact CB-OD2 3.44Å; T57-D60 PolarHBondContact N-OD2 2.87Å; T57-D60 PolarHBondContact O-N 2.89Å; T57-D60 VanDerWaalsContact OG1-CG 3.28Å; T57-D60 PolarHBondContact OG1-OD2 3.19Å; L58-D60 VanDerWaalsContact C-N 3.31Å; L58-D60 PolarHBondContact O-N 2.87Å; D60-H142 PolarHBondContact O-CD2 2.99Å; D60-H142 VanDerWaalsContact O-CD2 3.31Å
61I94.9Very high89.7Confident0 Ų061.8 Ų61.80%034%0.343CS..G310 helixtrans-95.5-0.8179.565.6162.6000113.3L36 L58 K59 I138 N139 L144 I145 L214L36-I61 HydrophobicContact CD1-CB 4.32Å; L36-I61 HydrophobicContact CD1-CD1 3.66Å; L36-I61 HydrophobicContact CD1-CG1 3.87Å; L36-I61 HydrophobicContact CD1-CG2 3.51Å; L36-I61 HydrophobicContact CD2-CD1 4.11Å; L58-I61 HydrophobicContact CD1-CD1 4.1Å; L58-I61 HydrophobicContact CD1-CG1 4.28Å; L58-I61 VanDerWaalsContact O-CG1 3.24Å; L58-I61 WeakPolarHBondContact O-CG1 3.41Å; L58-I61 PolarHBondContact O-N 3.01Å; K59-I61 PolarHBondContact O-N 2.8Å; I61-I138 HydrophobicContact CD1-CD1 4.34Å; I61-I138 WeakPolarHBondContact O-CA 3.41Å; I61-N139 PolarHBondContact O-N 2.74Å; I61-L144 HydrophobicContact CG2-CD2 4.42Å; I61-I145 HydrophobicContact CB-CD1 4.07Å; I61-I145 HydrophobicContact CB-CG1 4.23Å; I61-I145 HydrophobicContact CD1-CD1 3.91Å; I61-I145 HydrophobicContact CG2-CD1 4.15Å; I61-I145 HydrophobicContact CG2-CG1 4.29Å; I61-L214 HydrophobicContact CD1-CD1 4.24Å
62L94.3Very high89.7Confident9 Ų964.5 Ų64.55%0.04736%0.358CS..BIsolated β-bridgetrans-94.6151.5-179.8-63.2172.9000111.2L58 K59 I68 R136 K137 I138 F222L58-L62 HydrophobicContact CD1-CD1 4.46Å; L58-L62 HydrophobicContact CG-CD1 4.19Å; L58-L62 VanDerWaalsContact O-CG 3.26Å; L58-L62 WeakPolarHBondContact O-CG 3.43Å; K59-L62 PolarHBondContact O-N 3.48Å; K59-L62 VanDerWaalsContact O-N 3.14Å; L62-I68 HydrophobicContact CD1-CD1 4.22Å; L62-R136 HydrophobicContact CD2-CB 4.44Å; L62-K137 WeakPolarHBondContact CA-O 3.48Å; L62-I138 HydrophobicContact CD2-CG1 4.02Å; L62-F222 HydrophobicContact CD1-CZ 4.47Å; L62-F222 HydrophobicContact CD2-CD1 4.28Å; L62-F222 HydrophobicContact CD2-CE1 3.29Å; L62-F222 HydrophobicContact CD2-CE2 4.44Å; L62-F222 HydrophobicContact CD2-CZ 3.37Å
63L92.3Very high89.6Confident94 Ų9464.3 Ų64.349%0.49236%0.359SS..SBendtrans-75.4128.7171.8-70.2173.5000110.1K137 N139L63-K137 HydrophobicContact CD1-CB 3.96Å; L63-K137 PolarHBondContact N-O 3.43Å; L63-N139 HydrophobicContact CD2-CB 3.69Å; L63-N139 HydrophobicContact CG-CB 4.08Å
64G86.4Confident89.5Confident47 Ų4767 Ų6749%0.48538%0.378SS..SBendtrans92.315117900000113.7R66G64-R66 VanDerWaalsContact C-N 3.26Å; G64-R66 PolarHBondContact O-N 2.59Å
65D79.6Confident89.3Confident160 Ų16071.3 Ų71.386%0.85639%0.393SS*.SBendtrans-88.820.4-170.7-62.7-35.2000114.4
66R82.6Confident89.2Confident193 Ų19372 Ų7273%0.72839%0.387SS*.  trans-72.7132.9-178.5-65.7-175.8-179.4-174.50.4110.4G64 R136G64-R66 VanDerWaalsContact C-N 3.26Å; G64-R66 PolarHBondContact O-N 2.59Å; R66-R136 PolarHBondContact O-NH1 3.38Å
67E84.3Confident88.7Confident146 Ų14671.9 Ų71.968%0.68239%0.389SS*.  trans-66.2152.9171.9-56.9-154.6137.500111.3K59 R136K59-E67 IonicContact NZ-OE1 3.48Å; K59-E67 PolarHBondContact NZ-OE1 2.91Å; E67-R136 PolarHBondContact O-NH2 2.96Å
68I86.1Confident88.4Confident27 Ų2772.2 Ų72.214%0.13839%0.388CS..  trans-89.7112.9172.4-62.1175.5000106.1L34 L58 K59 L62 A70 L129 E132L34-I68 HydrophobicContact CD1-CB 4.39Å; L34-I68 HydrophobicContact CD1-CG2 4.05Å; L58-I68 HydrophobicContact CB-CD1 4.03Å; L58-I68 HydrophobicContact CD2-CD1 3.99Å; L58-I68 HydrophobicContact CG-CD1 3.88Å; K59-I68 HydrophobicContact CB-CD1 4.14Å; K59-I68 HydrophobicContact CB-CG1 4.43Å; L62-I68 HydrophobicContact CD1-CD1 4.22Å; I68-A70 VanDerWaalsContact C-N 3.32Å; I68-A70 HydrophobicContact CG2-CB 3.82Å; I68-L129 HydrophobicContact CG2-CD1 3.73Å; I68-E132 VanDerWaalsContact CA-OE2 3.3Å; I68-E132 WeakPolarHBondContact CA-OE2 3.46Å
69S79.6Confident88.1Confident94 Ų9476.4 Ų76.466%0.65741%0.411SS*.  trans-87.7-0.8-177.447.50000113.6G71 E132S69-G71 PolarHBondContact O-N 2.9Å; S69-E132 VanDerWaalsContact C-OE1 3.3Å; S69-E132 WeakPolarHBondContact CA-OE1 3.31Å; S69-E132 WeakPolarHBondContact CB-OE1 3.42Å; S69-E132 PolarHBondContact N-OE1 3.37Å; S69-E132 PolarHBondContact N-OE2 2.94Å; S69-E132 VanDerWaalsContact OG-CD 3.26Å; S69-E132 PolarHBondContact OG-OE1 2.88Å
70A80.4Confident87.6Confident6 Ų673.4 Ų73.45%0.0540%0.398CS..  trans-50.9112.9174.700000110.4I68 V124 T128 L129 E132I68-A70 VanDerWaalsContact C-N 3.32Å; I68-A70 HydrophobicContact CG2-CB 3.82Å; A70-V124 HydrophobicContact CB-CG1 4.05Å; A70-T128 HydrophobicContact CB-CG2 4.37Å; A70-L129 HydrophobicContact CB-CB 3.82Å; A70-L129 HydrophobicContact CB-CD1 4.08Å; A70-E132 PolarHBondContact N-OE1 3.14Å
71G81.8Confident87Confident36 Ų3676.4 Ų76.437%0.37141%0.409SS..  trans-62.2140-175.300000111.5S69 E125S69-G71 PolarHBondContact O-N 2.9Å; G71-E125 PolarHBondContact O-N 3.43Å
72I91.5Very high86Confident88 Ų8877.6 Ų77.645%0.45142%0.416SS..EExtended strand (participates in β ladder)trans-98.3112169.7-60.6169.2000107P33 H122P33-I72 HydrophobicContact CB-CD1 3.98Å; P33-I72 HydrophobicContact CB-CG1 4.27Å; P33-I72 HydrophobicContact CG-CD1 4.46Å; P33-I72 HydrophobicContact CG-CG2 4.2Å; I72-H122 HydrophobicContact CG2-CB 4.13Å
73S90.8Very high84.8Confident60 Ų6082.3 Ų82.342%0.4244%0.438SS..EExtended strand (participates in β ladder)trans-79.9142.7170.366.60000109.6H122 E123S73-H122 CarbonylContact O-C 3.5Å; S73-H122 VanDerWaalsContact O-CA 3.27Å; S73-H122 WeakPolarHBondContact O-CA 3.39Å; S73-E123 PolarHBondContact N-O 3.41Å; S73-E123 PolarHBondContact O-N 2.87Å; S73-E123 PolarHBondContact OG-O 2.85Å; S73-E123 VanDerWaalsContact OG-O 3.14Å
74S92.1Very high83.2Confident72 Ų7279.7 Ų79.750%0.50343%0.427SS..EExtended strand (participates in β ladder)trans-135.6124.4178.8176.90000109.4K121 H122S74-K121 WeakPolarHBondContact CA-O 3.27Å; S74-H122 PolarHBondContact OG-CE1 3.31Å; S74-H122 PolarHBondContact OG-ND1 2.94Å
75Y91Very high81.8Confident104 Ų10482.3 Ų82.341%0.40843%0.43SS..EExtended strand (participates in β ladder)trans-144.4155.8178.862.2-87.2000111.5L77 T120 K121Y75-L77 HydrophobicContact CE2-CD1 4.41Å; Y75-L77 PolarHBondContact O-N 3.16Å; Y75-T120 CarbonylContact O-C 3.58Å; Y75-T120 VanDerWaalsContact O-CA 3.25Å; Y75-T120 WeakPolarHBondContact O-CA 3.41Å; Y75-T120 WeakPolarHBondContact O-CB 3.4Å; Y75-K121 HydrophobicContact CE1-CB 4.28Å; Y75-K121 HydrophobicContact CE1-CD 4.42Å; Y75-K121 HydrophobicContact CE1-CG 4.46Å; Y75-K121 HydrophobicContact CE2-CB 4.26Å; Y75-K121 PolarHBondContact N-O 3.19Å; Y75-K121 PolarHBondContact O-N 3.46Å; Y75-K121 WeakPolarHBondContact OH-CD 3.11Å
76Q92.1Very high80.7Confident125 Ų12577.5 Ų77.558%0.58441%0.406SS*.EExtended strand (participates in β ladder)trans-69.7127.2175.7179.8173.4-33.900110.1I118Q76-I118 HydrophobicContact CG-CG2 3.57Å
77L86.1Confident79.3Confident59 Ų5971.8 Ų71.831%0.30940%0.396SS..EExtended strand (participates in β ladder)trans-90.8-59.1-178.9-176.667.1000111.4V13 Y75 V119 K121 I163V13-L77 HydrophobicContact CG1-CD2 4.25Å; Y75-L77 HydrophobicContact CE2-CD1 4.41Å; Y75-L77 PolarHBondContact O-N 3.16Å; L77-V119 HydrophobicContact CB-CG2 4.32Å; L77-V119 PolarHBondContact N-O 3.1Å; L77-K121 HydrophobicContact CB-CB 4.26Å; L77-I163 HydrophobicContact CD2-CD1 3.72Å; L77-I163 HydrophobicContact CD2-CG1 4.22Å; L77-I163 HydrophobicContact CD2-CG2 4.36Å
78L89.1Confident77.8Confident54 Ų5467.2 Ų67.228%0.28338%0.376SS..EExtended strand (participates in β ladder)trans-166.7172.8-178.658.484.7000111.8F9 V13 Y80 I118 V119F9-L78 HydrophobicContact CE2-CD1 4.22Å; V13-L78 HydrophobicContact CG1-CD2 3.96Å; V13-L78 HydrophobicContact CG2-CD2 3.83Å; L78-Y80 HydrophobicContact CD1-CD2 4.49Å; L78-I118 WeakPolarHBondContact O-CA 3.15Å; L78-V119 HydrophobicContact CD1-CG2 3.91Å; L78-V119 HydrophobicContact CG-CG2 4.04Å; L78-V119 WeakPolarHBondContact O-CG2 3.32Å; L78-V119 PolarHBondContact O-N 3.22Å
79N87.3Confident75.9Confident88 Ų8875.7 Ų75.747%0.47141%0.407SS..EExtended strand (participates in β ladder)trans-100.1125.4165.2-17537.2000109.2E81 G117 I118N79-E81 PolarHBondContact ND2-OE1 3.04Å; N79-G117 CarbonylContact C-O 3.52Å; N79-G117 WeakPolarHBondContact CA-O 3.32Å; N79-G117 WeakPolarHBondContact OD1-CA 3.15Å; N79-G117 PolarHBondContact OD1-O 2.85Å; N79-I118 HydrophobicContact CB-CG1 4.37Å; N79-I118 PolarHBondContact OD1-N 2.91Å
80Y83.6Confident74.2Confident7 Ų772.9 Ų72.93%0.02739%0.393CS..EExtended strand (participates in β ladder)trans-114.1117.1-177-175.7-96.9000112.5S8 F9 Q12 L78 D82 F116 G117S8-Y80 PolarHBondContact OG-OH 2.93Å; F9-Y80 HydrophobicContact CB-CE1 4.29Å; F9-Y80 HydrophobicContact CB-CE2 4.34Å; F9-Y80 HydrophobicContact CD2-CD1 4.02Å; F9-Y80 AromaticContact CD2-CD2 3.6Å; F9-Y80 HydrophobicContact CD2-CD2 3.6Å; F9-Y80 HydrophobicContact CD2-CE1 4.28Å; F9-Y80 AromaticContact CD2-CE2 3.92Å; F9-Y80 HydrophobicContact CD2-CE2 3.92Å; F9-Y80 AromaticContact CD2-CG 3.65Å; F9-Y80 HydrophobicContact CD2-CG 3.65Å; F9-Y80 HydrophobicContact CE2-CD2 4.14Å; F9-Y80 HydrophobicContact CE2-CG 4.14Å; F9-Y80 PolarHBondContact N-OH 2.73Å; Q12-Y80 HydrophobicContact CB-CE2 4.45Å; Q12-Y80 PolarHBondContact NE2-OH 2.99Å; L78-Y80 HydrophobicContact CD1-CD2 4.49Å; Y80-D82 HydrophobicContact CE1-CB 3.74Å; Y80-D82 HydrophobicContact CE2-CB 4.41Å; Y80-D82 WeakPolarHBondContact OH-CB 3.07Å; Y80-D82 PolarHBondContact OH-OD2 3.37Å; Y80-F116 HydrophobicContact CD1-CB 4.03Å; Y80-F116 AromaticContact CD1-CD2 3.33Å; Y80-F116 HydrophobicContact CD1-CD2 3.33Å; Y80-F116 HydrophobicContact CD1-CE2 4.13Å; Y80-F116 AromaticContact CD1-CG 3.96Å; Y80-F116 HydrophobicContact CD1-CG 3.96Å; Y80-F116 AromaticContact CE1-CD2 3.65Å; Y80-F116 HydrophobicContact CE1-CD2 3.65Å; Y80-F116 AromaticContact CE1-CE2 3.97Å; Y80-F116 HydrophobicContact CE1-CE2 3.97Å; Y80-F116 HydrophobicContact CG-CD2 4.19Å; Y80-F116 PolarHBondContact O-N 2.81Å; Y80-G117 PolarHBondContact N-O 2.79Å; Y80-G117 PolarHBondContact O-N 2.94Å; Y80-G117 VanDerWaalsContact O-N 3.1Å
81E80.4Confident72.4Confident135 Ų13584.6 Ų84.663%0.63144%0.436SS*.EExtended strand (participates in β ladder)trans-135120.2173.7-70.5171.6-148.900108.5N79N79-E81 PolarHBondContact ND2-OE1 3.04Å
82D74.5Confident70.5Confident26 Ų2694.8 Ų94.814%0.13946%0.463CS..EExtended strand (participates in β ladder)trans-126.7117.5-177.9-172.133.9000108.9S8 Q12 Y80 A114S8-D82 PolarHBondContact OG-OD2 3.37Å; Q12-D82 VanDerWaalsContact NE2-CG 3.28Å; Q12-D82 PolarHBondContact NE2-OD1 3.39Å; Q12-D82 VanDerWaalsContact NE2-OD1 3.17Å; Q12-D82 PolarHBondContact NE2-OD2 3.48Å; Y80-D82 HydrophobicContact CE1-CB 3.74Å; Y80-D82 HydrophobicContact CE2-CB 4.41Å; Y80-D82 WeakPolarHBondContact OH-CB 3.07Å; Y80-D82 PolarHBondContact OH-OD2 3.37Å; D82-A114 HydrophobicContact CB-CB 4.33Å; D82-A114 PolarHBondContact N-O 2.91Å; D82-A114 PolarHBondContact O-N 3.37Å
83E68.7Low68Low108 Ų10894 Ų9451%0.50548%0.477SS..EExtended strand (participates in β ladder)trans-116.4118.3172.1-69.5-170.5170.200107.7K113 F184E83-K113 HydrophobicContact CG-CB 4.45Å; E83-K113 HydrophobicContact CG-CD 4.2Å; E83-K113 HydrophobicContact CG-CG 4.07Å; E83-K113 WeakPolarHBondContact OE1-CD 3.49Å; E83-K113 VanDerWaalsContact OE1-CE 3.24Å; E83-K113 WeakPolarHBondContact OE1-CE 3.44Å; E83-K113 IonicContact OE1-NZ 3.92Å; E83-K113 PolarHBondContact OE1-NZ 3.48Å; E83-F184 HydrophobicContact CB-CD2 4.03Å; E83-F184 HydrophobicContact CB-CE2 3.86Å; E83-F184 HydrophobicContact CG-CD2 4.09Å; E83-F184 HydrophobicContact CG-CE2 4.16Å
84S60.2Low65.5Low39 Ų3998.2 Ų98.227%0.27350%0.495SS..EExtended strand (participates in β ladder)trans-135.1127.4-174.759.70000111.7V112S84-V112 PolarHBondContact N-O 2.96Å; S84-V112 PolarHBondContact O-N 3.17Å; S84-V112 PolarHBondContact OG-O 3.21Å
85D55.9Low63.2Low102 Ų102101.6 Ų101.655%0.54550%0.503SS..EExtended strand (participates in β ladder)trans-99121.2174.1-62.6-35.3000109.8A111D85-A111 WeakPolarHBondContact OD1-CB 3.48Å
86V58Low60.9Low58 Ų58101.8 Ų101.835%0.35251%0.509SS..EExtended strand (participates in β ladder)trans-115.4112.3179.4-175.80000108.7L88 I110V86-L88 HydrophobicContact CG1-CD2 4.07Å; V86-L88 HydrophobicContact CG1-CG 4.43Å; V86-I110 PolarHBondContact N-O 3.13Å; V86-I110 PolarHBondContact O-N 3.47Å; V86-I110 VanDerWaalsContact O-O 3.14Å
87S52.8Low58.7Low73 Ų73100.5 Ų100.551%0.5151%0.51SS..EExtended strand (participates in β ladder)trans-91.6125170.353.20000110
88L52.3Low57.3Low51 Ų5199.7 Ų99.727%0.26751%0.506SS..  trans-102.499.2175.7-65.5-179.7000109.4V86 G90 D108 I110V86-L88 HydrophobicContact CG1-CD2 4.07Å; V86-L88 HydrophobicContact CG1-CG 4.43Å; L88-G90 PolarHBondContact O-N 3.33Å; L88-D108 PolarHBondContact N-O 3.25Å; L88-I110 HydrophobicContact CD1-CD1 3.69Å; L88-I110 HydrophobicContact CG-CD1 4.36Å
89Y45.1Very low55.7Low204 Ų204102.4 Ų102.480%0.852%0.521SS*.  trans-84.783171.7-73.5-83.7000110.3
90G44.8Very low54.3Low35 Ų3599 Ų9936%0.36150%0.503SS..  trans-103116177.300000113.1L88 R92L88-G90 PolarHBondContact O-N 3.33Å; G90-R92 PolarHBondContact O-N 3.35Å
91R42.3Very low52.9Low252 Ų252100.5 Ų100.595%0.95152%0.521SS*.  trans-72.7110171.7-154.1-179.8-157.3-166.36.1109.2
92R42.6Very low51.8Low250 Ų25094.2 Ų94.294%0.94349%0.492SS*.SBendtrans31.9108.1157.1-141.9-179.1-172.8-170.51.4116.5G90G90-R92 PolarHBondContact O-N 3.35Å
93G38.3Very low50.9Low71 Ų7197.2 Ų97.273%0.73251%0.507SS*.SBendtrans147-28.1145.500000119.4
94N39.1Very low50.3Low149 Ų14992.6 Ų92.680%0.79749%0.486SS*.  trans-127.9131.5-174.8-72.7-17.2000111.1I96N94-I96 PolarHBondContact O-N 3.25Å
95H42.4Very low50Low144 Ų14493.7 Ų93.767%0.66750%0.498SS*.  trans-59.399.7170-71.7-66.7000109.2V97H95-V97 PolarHBondContact O-N 2.7Å
96I44.1Very low50Low107 Ų10791.1 Ų91.155%0.54950%0.496SS..EExtended strand (participates in β ladder)trans-80104.1172.8-59.5175.6000106.4N94 N98N94-I96 PolarHBondContact O-N 3.25Å; I96-N98 PolarHBondContact O-N 3.27Å
97V46.1Very low49.7Very low98 Ų9890.7 Ų90.759%0.59450%0.495SS*.EExtended strand (participates in β ladder)trans-70.1111.3169.1-1770000107H95H95-V97 PolarHBondContact O-N 2.7Å
98N56Low50.1Low42 Ų4288.6 Ų88.623%0.22548%0.479CS..  trans-77.2151.9179.6-157.81.3000110.5I96 V100 G101 I102 I110I96-N98 PolarHBondContact O-N 3.27Å; N98-V100 PolarHBondContact O-N 3.45Å; N98-G101 PolarHBondContact O-N 3.16Å; N98-I102 PolarHBondContact N-O 2.78Å; N98-I110 WeakPolarHBondContact ND2-CD1 3.35Å
99D56.2Low50.6Low112 Ų11287.3 Ų87.360%0.59947%0.474SS*.THydrogen-bonded Turntrans-53.5-16.3177.6-11124.9000112.9K7K7-D99 IonicContact NZ-OD2 3.34Å; K7-D99 PolarHBondContact NZ-OD2 3.01Å
100V57.7Low51.6Low16 Ų1677.7 Ų77.710%0.09744%0.436CS..THydrogen-bonded Turntrans-85.5-16.4-178.8-170.40000112.3M1 A4 N98 V173M1-V100 HydrophobicContact CG-CG1 3.77Å; M1-V100 WeakPolarHBondContact CG-O 3.45Å; M1-V100 PolarHBondContact N-O 2.72Å; A4-V100 HydrophobicContact CB-CG2 4.33Å; N98-V100 PolarHBondContact O-N 3.45Å; V100-V173 HydrophobicContact CG1-CB 4.05Å; V100-V173 HydrophobicContact CG1-CG1 3.78Å; V100-V173 HydrophobicContact CG1-CG2 3.26Å
101G53.5Low52.5Low39 Ų3976.2 Ų76.240%0.40242%0.42SS..SBendtrans90.323.9175.800000114.5N98 K197N98-G101 PolarHBondContact O-N 3.16Å; G101-K197 PolarHBondContact O-NZ 2.84Å
102I56.6Low53.8Low3 Ų365.4 Ų65.42%0.01538%0.382CS..  trans-110.3130.1173.4-58.6-173.6000108.8N98 V104 V173 A175 K197N98-I102 PolarHBondContact N-O 2.78Å; I102-V104 HydrophobicContact CB-CG2 4.16Å; I102-V104 HydrophobicContact CG2-CG2 3.61Å; I102-V104 PolarHBondContact O-N 3.31Å; I102-V173 HydrophobicContact CD1-CB 3.89Å; I102-V173 HydrophobicContact CD1-CG1 3.3Å; I102-V173 HydrophobicContact CG1-CG1 4.35Å; I102-A175 HydrophobicContact CD1-CB 4.3Å; I102-A175 HydrophobicContact CG2-CB 4.22Å; I102-K197 HydrophobicContact CD1-CD 4.49Å; I102-K197 HydrophobicContact CD1-CG 4.37Å; I102-K197 HydrophobicContact CG1-CD 3.92Å; I102-K197 HydrophobicContact CG1-CG 4.32Å
103N55.3Low55.4Low88 Ų8857.3 Ų57.347%0.47135%0.354SS..EExtended strand (participates in β ladder)trans-83.9105.1170.9-66.3-20.5000107.8R195N103-R195 PolarHBondContact O-NH1 2.74Å; N103-R195 VanDerWaalsContact O-NH1 3.12Å
104V56.5Low57.2Low11 Ų1154 Ų547%0.06732%0.32CS..EExtended strand (participates in β ladder)trans-104.1136.6-177-179.10000108.7I102 D108 I110I102-V104 HydrophobicContact CB-CG2 4.16Å; I102-V104 HydrophobicContact CG2-CG2 3.61Å; I102-V104 PolarHBondContact O-N 3.31Å; V104-D108 HydrophobicContact CG1-CB 3.41Å; V104-D108 VanDerWaalsContact CG1-CB 3.41Å; V104-D108 WeakPolarHBondContact CG1-OD2 3.47Å; V104-I110 HydrophobicContact CG2-CD1 3.77Å; V104-I110 HydrophobicContact CG2-CG1 4.25Å
105A54.3Low59.3Low62 Ų6248.4 Ų48.451%0.51229%0.292SS..  trans-129106-172.900000109.9D108A105-D108 PolarHBondContact N-OD2 3.4Å
106G55.7Low61.3Low49 Ų4941.6 Ų41.651%0.50526%0.261SS..SBendtrans97.8-162-179.400000113.2D108G106-D108 VanDerWaalsContact C-N 3.29Å; G106-D108 PolarHBondContact O-N 3.05Å; G106-D108 VanDerWaalsContact O-N 3.08Å
107S53Low63.3Low48 Ų4837.3 Ų37.334%0.33624%0.243SC..SBendtrans-81.771-179.359.10000111
108D61.1Low65.3Low30 Ų3035.2 Ų35.216%0.1623%0.228CC..EExtended strand (participates in β ladder)trans-102.6151.8-179-62.8-22.5000110.8L88 V104 A105 G106 G176L88-D108 PolarHBondContact N-O 3.25Å; V104-D108 HydrophobicContact CG1-CB 3.41Å; V104-D108 VanDerWaalsContact CG1-CB 3.41Å; V104-D108 WeakPolarHBondContact CG1-OD2 3.47Å; A105-D108 PolarHBondContact N-OD2 3.4Å; G106-D108 VanDerWaalsContact C-N 3.29Å; G106-D108 PolarHBondContact O-N 3.05Å; G106-D108 VanDerWaalsContact O-N 3.08Å; D108-G176 WeakPolarHBondContact CB-O 3.38Å
109S61.3Low67.1Low24 Ų2433.2 Ų33.217%0.16822%0.217CC..EExtended strand (participates in β ladder)trans-101.6143.1173.750.70000110.1G176S109-G176 PolarHBondContact N-O 3.36Å; S109-G176 VanDerWaalsContact N-O 3.14Å; S109-G176 PolarHBondContact O-N 3.29Å
110I66.3Low68.9Low2 Ų228.9 Ų28.91%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-125120179.6-52.8171.9000107.9V86 L88 N98 V104 V112 V173 H174V86-I110 PolarHBondContact N-O 3.13Å; V86-I110 PolarHBondContact O-N 3.47Å; V86-I110 VanDerWaalsContact O-O 3.14Å; L88-I110 HydrophobicContact CD1-CD1 3.69Å; L88-I110 HydrophobicContact CG-CD1 4.36Å; N98-I110 WeakPolarHBondContact ND2-CD1 3.35Å; V104-I110 HydrophobicContact CG2-CD1 3.77Å; V104-I110 HydrophobicContact CG2-CG1 4.25Å; I110-V112 HydrophobicContact CG2-CG2 3.97Å; I110-V173 HydrophobicContact CG2-CG1 3.53Å; I110-H174 CarbonylContact C-O 3.59Å; I110-H174 WeakPolarHBondContact CA-O 3.23Å
111A64.7Low70.6Confident3 Ų329.4 Ų29.43%0.02520%0.196CC..EExtended strand (participates in β ladder)trans-97.4125.8168.600000108.8D85 V173 H174 M182 F184D85-A111 WeakPolarHBondContact OD1-CB 3.48Å; A111-V173 WeakPolarHBondContact O-CA 3.45Å; A111-H174 HydrophobicContact CB-CB 4.49Å; A111-H174 PolarHBondContact N-O 3.39Å; A111-H174 PolarHBondContact O-N 3.15Å; A111-M182 HydrophobicContact CB-CB 4Å; A111-M182 HydrophobicContact CB-CE 3.82Å; A111-F184 HydrophobicContact CB-CE1 4.04Å; A111-F184 HydrophobicContact CB-CE2 4.09Å; A111-F184 HydrophobicContact CB-CZ 3.57Å
112V68.8Low72.6Confident26 Ų2629 Ų2916%0.15818%0.184CC..EExtended strand (participates in β ladder)trans-114.9121.9178.4-179.30000108.7S84 I110 V173S84-V112 PolarHBondContact N-O 2.96Å; S84-V112 PolarHBondContact O-N 3.17Å; S84-V112 PolarHBondContact OG-O 3.21Å; I110-V112 HydrophobicContact CG2-CG2 3.97Å; V112-V173 HydrophobicContact CG1-CG2 4.26Å; V112-V173 HydrophobicContact CG2-CG1 4.08Å; V112-V173 HydrophobicContact CG2-CG2 4.37Å
113K75.4Confident74.4Confident79 Ų7931.2 Ų31.234%0.34319%0.194SC..EExtended strand (participates in β ladder)trans-111.3118.8170.6176.1165.9-177.2152.40109.3E83 S172 F184E83-K113 HydrophobicContact CG-CB 4.45Å; E83-K113 HydrophobicContact CG-CD 4.2Å; E83-K113 HydrophobicContact CG-CG 4.07Å; E83-K113 WeakPolarHBondContact OE1-CD 3.49Å; E83-K113 VanDerWaalsContact OE1-CE 3.24Å; E83-K113 WeakPolarHBondContact OE1-CE 3.44Å; E83-K113 IonicContact OE1-NZ 3.92Å; E83-K113 PolarHBondContact OE1-NZ 3.48Å; K113-S172 PolarHBondContact N-O 2.77Å; K113-S172 PolarHBondContact O-N 2.97Å; K113-S172 VanDerWaalsContact O-O 3.09Å; K113-F184 HydrophobicContact CB-CD1 4.17Å; K113-F184 HydrophobicContact CB-CE1 3.49Å; K113-F184 VanDerWaalsContact CB-CE1 3.49Å; K113-F184 HydrophobicContact CB-CE2 4.45Å; K113-F184 HydrophobicContact CB-CZ 3.66Å; K113-F184 HydrophobicContact CD-CD1 4.19Å; K113-F184 HydrophobicContact CD-CE1 4.34Å
114A77.6Confident76.3Confident3 Ų327 Ų273%0.02517%0.172CC..EExtended strand (participates in β ladder)trans-120.3109.917700000109.7A5 D82 L171A5-A114 HydrophobicContact CB-CB 4.04Å; D82-A114 HydrophobicContact CB-CB 4.33Å; D82-A114 PolarHBondContact N-O 2.91Å; D82-A114 PolarHBondContact O-N 3.37Å; A114-L171 HydrophobicContact CB-CD2 3.58Å
115S82.1Confident78Confident30 Ų3031 Ų3121%0.2119%0.189CC..EExtended strand (participates in β ladder)trans-118.3117.1173.8-178.10000110S170S115-S170 PolarHBondContact N-O 3.02Å
116F84.9Confident79.7Confident1 Ų129.8 Ų29.80%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-97.4-8.4170.2-62.6-43000112.1A5 T6 F9 Y80 V119 T165 C169 L171 F201 I207A5-F116 HydrophobicContact CB-CE1 4.23Å; A5-F116 HydrophobicContact CB-CE2 4.23Å; A5-F116 HydrophobicContact CB-CZ 3.5Å; T6-F116 HydrophobicContact CG2-CZ 4.27Å; F9-F116 HydrophobicContact CB-CD2 4.14Å; F9-F116 HydrophobicContact CB-CE2 3.73Å; F9-F116 AromaticContact CD2-CD2 3.9Å; F9-F116 HydrophobicContact CD2-CD2 3.9Å; F9-F116 HydrophobicContact CD2-CE2 4.35Å; F9-F116 HydrophobicContact CG-CD2 4.22Å; F9-F116 HydrophobicContact CG-CE2 4.22Å; Y80-F116 HydrophobicContact CD1-CB 4.03Å; Y80-F116 AromaticContact CD1-CD2 3.33Å; Y80-F116 HydrophobicContact CD1-CD2 3.33Å; Y80-F116 HydrophobicContact CD1-CE2 4.13Å; Y80-F116 AromaticContact CD1-CG 3.96Å; Y80-F116 HydrophobicContact CD1-CG 3.96Å; Y80-F116 AromaticContact CE1-CD2 3.65Å; Y80-F116 HydrophobicContact CE1-CD2 3.65Å; Y80-F116 AromaticContact CE1-CE2 3.97Å; Y80-F116 HydrophobicContact CE1-CE2 3.97Å; Y80-F116 HydrophobicContact CG-CD2 4.19Å; Y80-F116 PolarHBondContact O-N 2.81Å; F116-V119 HydrophobicContact CB-CG1 3.95Å; F116-T165 HydrophobicContact CB-CG2 4.4Å; F116-C169 PolarHBondContact O-SG 2.85Å; F116-L171 HydrophobicContact CD1-CD2 4.28Å; F116-L171 HydrophobicContact CE1-CD1 4.18Å; F116-L171 HydrophobicContact CE1-CD2 3.75Å; F116-L171 HydrophobicContact CE1-CG 4.38Å; F116-L171 HydrophobicContact CZ-CD2 4.3Å; F116-F201 HydrophobicContact CD1-CE1 4.31Å; F116-F201 AromaticContact CD1-CZ 3.63Å; F116-F201 HydrophobicContact CD1-CZ 3.63Å; F116-F201 AromaticContact CE1-CE1 4Å; F116-F201 HydrophobicContact CE1-CE1 4Å; F116-F201 AromaticContact CE1-CZ 3.58Å; F116-F201 HydrophobicContact CE1-CZ 3.58Å; F116-I207 HydrophobicContact CB-CD1 4.41Å; F116-I207 HydrophobicContact CD1-CG2 4.35Å; F116-I207 HydrophobicContact CD2-CD1 3.82Å; F116-I207 HydrophobicContact CE1-CG2 4.22Å; F116-I207 HydrophobicContact CE2-CD1 4.29Å; F116-I207 HydrophobicContact CG-CD1 4.17Å; F116-I207 HydrophobicContact CZ-CG2 4.36Å
117G85.5Confident81.3Confident18 Ų1830.4 Ų30.419%0.18617%0.172CC..EExtended strand (participates in β ladder)trans59.5-147.7-177.300000111.2N79 Y80 V119N79-G117 CarbonylContact C-O 3.52Å; N79-G117 WeakPolarHBondContact CA-O 3.32Å; N79-G117 WeakPolarHBondContact OD1-CA 3.15Å; N79-G117 PolarHBondContact OD1-O 2.85Å; Y80-G117 PolarHBondContact N-O 2.79Å; Y80-G117 PolarHBondContact O-N 2.94Å; Y80-G117 VanDerWaalsContact O-N 3.1Å; G117-V119 PolarHBondContact O-N 2.79Å
118I88.6Confident83.1Confident53 Ų5329.9 Ų29.927%0.27217%0.167SC..EExtended strand (participates in β ladder)trans-70.7124.8177.6-59.6172.2000109.4Q76 L78 N79 T166Q76-I118 HydrophobicContact CG-CG2 3.57Å; L78-I118 WeakPolarHBondContact O-CA 3.15Å; N79-I118 HydrophobicContact CB-CG1 4.37Å; N79-I118 PolarHBondContact OD1-N 2.91Å; I118-T166 HydrophobicContact CB-CG2 4.47Å; I118-T166 HydrophobicContact CG2-CG2 4.04Å; I118-T166 WeakPolarHBondContact O-CB 3.4Å; I118-T166 WeakPolarHBondContact O-CG2 3.14Å; I118-T166 PolarHBondContact O-N 2.89Å; I118-T166 VanDerWaalsContact O-N 3.08Å; I118-T166 PolarHBondContact O-OG1 3.06Å
119V93.3Very high84.5Confident0 Ų028.4 Ų28.40%016%0.159CC..EExtended strand (participates in β ladder)trans-114143.2176.6-61.80000111.1F9 L77 L78 F116 G117 I163 R164 T165 I207F9-V119 HydrophobicContact CE2-CG2 4.08Å; F9-V119 HydrophobicContact CZ-CG2 4.15Å; L77-V119 HydrophobicContact CB-CG2 4.32Å; L77-V119 PolarHBondContact N-O 3.1Å; L78-V119 HydrophobicContact CD1-CG2 3.91Å; L78-V119 HydrophobicContact CG-CG2 4.04Å; L78-V119 WeakPolarHBondContact O-CG2 3.32Å; L78-V119 PolarHBondContact O-N 3.22Å; F116-V119 HydrophobicContact CB-CG1 3.95Å; G117-V119 PolarHBondContact O-N 2.79Å; V119-I163 HydrophobicContact CB-CG2 3.9Å; V119-I163 HydrophobicContact CG2-CG2 4.04Å; V119-R164 CarbonylContact C-O 3.48Å; V119-R164 VanDerWaalsContact CA-O 3.28Å; V119-R164 WeakPolarHBondContact CA-O 3.41Å; V119-T165 HydrophobicContact CG1-CG2 4.46Å; V119-I207 HydrophobicContact CB-CD1 4.48Å; V119-I207 HydrophobicContact CG1-CD1 3.75Å
120T94.4Very high85.8Confident21 Ų2130.3 Ų30.313%0.12917%0.167CC..EExtended strand (participates in β ladder)trans-109.1141.4177.149.60000110.7Y75 H122 I163 R164 T166Y75-T120 CarbonylContact O-C 3.58Å; Y75-T120 VanDerWaalsContact O-CA 3.25Å; Y75-T120 WeakPolarHBondContact O-CA 3.41Å; Y75-T120 WeakPolarHBondContact O-CB 3.4Å; T120-H122 PolarHBondContact OG1-NE2 3.44Å; T120-I163 CarbonylContact O-C 3.6Å; T120-I163 WeakPolarHBondContact O-CA 3.17Å; T120-R164 PolarHBondContact N-O 3.33Å; T120-R164 PolarHBondContact O-N 2.89Å; T120-R164 PolarHBondContact OG1-O 3.16Å; T120-T166 HydrophobicContact CG2-CG2 3.49Å; T120-T166 VanDerWaalsContact CG2-CG2 3.49Å
121K94.8Very high86.8Confident27 Ų2738 Ų3812%0.11720%0.2CC..EExtended strand (participates in β ladder)trans-97.4127.8170-173176175.5-136.90108.9S74 Y75 L77 E123 E161 I163S74-K121 WeakPolarHBondContact CA-O 3.27Å; Y75-K121 HydrophobicContact CE1-CB 4.28Å; Y75-K121 HydrophobicContact CE1-CD 4.42Å; Y75-K121 HydrophobicContact CE1-CG 4.46Å; Y75-K121 HydrophobicContact CE2-CB 4.26Å; Y75-K121 PolarHBondContact N-O 3.19Å; Y75-K121 PolarHBondContact O-N 3.46Å; Y75-K121 WeakPolarHBondContact OH-CD 3.11Å; L77-K121 HydrophobicContact CB-CB 4.26Å; K121-E123 IonicContact NZ-OE2 2.9Å; K121-E123 PolarHBondContact NZ-OE2 2.89Å; K121-E161 VanDerWaalsContact CE-OE1 3.29Å; K121-E161 WeakPolarHBondContact CE-OE1 3.38Å; K121-E161 VanDerWaalsContact NZ-CD 3.34Å; K121-E161 IonicContact NZ-OE1 3.64Å; K121-E161 PolarHBondContact NZ-OE1 2.7Å; K121-E161 IonicContact NZ-OE2 3.59Å; K121-I163 HydrophobicContact CG-CG1 4.43Å
122H95.3Very high87.9Confident32 Ų3239.2 Ų39.215%0.14821%0.205CC..EExtended strand (participates in β ladder)trans-110.5123.7173.3-59.2-100.6000108.3P33 I72 S73 S74 T120 E161 S162P33-H122 HydrophobicContact CG-CB 3.95Å; I72-H122 HydrophobicContact CG2-CB 4.13Å; S73-H122 CarbonylContact O-C 3.5Å; S73-H122 VanDerWaalsContact O-CA 3.27Å; S73-H122 WeakPolarHBondContact O-CA 3.39Å; S74-H122 PolarHBondContact OG-CE1 3.31Å; S74-H122 PolarHBondContact OG-ND1 2.94Å; T120-H122 PolarHBondContact OG1-NE2 3.44Å; H122-E161 CarbonylContact O-C 3.27Å; H122-E161 WeakPolarHBondContact O-CA 3.37Å; H122-S162 PolarHBondContact N-O 2.85Å; H122-S162 PolarHBondContact O-N 3.46Å
123E93.9Very high88.7Confident48 Ų4838.2 Ų38.222%0.22420%0.199CC..EExtended strand (participates in β ladder)trans-135.5134.8-172.8176166.5-170.400111.2S73 K121 E161S73-E123 PolarHBondContact N-O 3.41Å; S73-E123 PolarHBondContact O-N 2.87Å; S73-E123 PolarHBondContact OG-O 2.85Å; S73-E123 VanDerWaalsContact OG-O 3.14Å; K121-E123 IonicContact NZ-OE2 2.9Å; K121-E123 PolarHBondContact NZ-OE2 2.89Å; E123-E161 HydrophobicContact CB-CG 4.01Å; E123-E161 VanDerWaalsContact CD-OE1 3.32Å; E123-E161 HydrophobicContact CG-CG 3.77Å
124V94.6Very high89.1Confident1 Ų140.1 Ų40.11%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-77133.9175.3-175.60000110.3P33 L34 A70 V126 L129 M160P33-V124 HydrophobicContact CB-CG2 3.63Å; L34-V124 HydrophobicContact CD2-CG1 4.02Å; L34-V124 HydrophobicContact CD2-CG2 3.95Å; L34-V124 HydrophobicContact CG-CG2 4.03Å; A70-V124 HydrophobicContact CB-CG1 4.05Å; V124-V126 PolarHBondContact O-N 2.93Å; V124-L129 HydrophobicContact CG1-CB 4.21Å; V124-L129 HydrophobicContact CG1-CD2 4.03Å; V124-M160 HydrophobicContact CB-CE 4.09Å; V124-M160 HydrophobicContact CG1-CE 4.35Å; V124-M160 WeakPolarHBondContact CG2-O 3.43Å; V124-M160 PolarHBondContact N-O 3.44Å
125E92.5Very high89.3Confident94 Ų9444.4 Ų44.444%0.43925%0.253SS..  trans-67.5101.9171-169.3-172.2-176.400111.3G71 S127 T128 L129G71-E125 PolarHBondContact O-N 3.43Å; E125-S127 WeakPolarHBondContact CG-OG 3.28Å; E125-S127 PolarHBondContact O-N 2.84Å; E125-S127 PolarHBondContact OE1-OG 2.92Å; E125-T128 PolarHBondContact O-N 3.38Å; E125-T128 PolarHBondContact OE1-OG1 2.9Å; E125-T128 WeakPolarHBondContact OE2-CB 3.32Å; E125-T128 PolarHBondContact OE2-OG1 3.32Å; E125-L129 PolarHBondContact O-N 2.85Å
126V90.4Very high89.7Confident37 Ų3744.7 Ų44.722%0.22425%0.25CC..Hα-helixtrans-61.6-40.6-173.2-178.90000112.4V124 T128 L129 L130 M160 F212 V226V124-V126 PolarHBondContact O-N 2.93Å; V126-T128 PolarHBondContact O-N 2.82Å; V126-L129 PolarHBondContact O-N 3.25Å; V126-L130 HydrophobicContact CG1-CD1 3.85Å; V126-L130 HydrophobicContact CG1-CG 4.13Å; V126-L130 WeakPolarHBondContact O-CB 3.43Å; V126-L130 VanDerWaalsContact O-CG 3.25Å; V126-L130 WeakPolarHBondContact O-CG 3.39Å; V126-L130 PolarHBondContact O-N 2.93Å; V126-M160 HydrophobicContact CG2-CE 4.07Å; V126-F212 HydrophobicContact CG1-CE2 4.1Å; V126-F212 HydrophobicContact CG2-CE2 3.95Å; V126-F212 HydrophobicContact CG2-CZ 4.43Å; V126-V226 HydrophobicContact CG1-CG2 4.4Å
127S88.6Confident90.1Very high61 Ų6148.9 Ų48.943%0.42727%0.268SS..Hα-helixtrans-60.7-44.7-179.936.30000112.9E125 K131E125-S127 WeakPolarHBondContact CG-OG 3.28Å; E125-S127 PolarHBondContact O-N 2.84Å; E125-S127 PolarHBondContact OE1-OG 2.92Å; S127-K131 WeakPolarHBondContact O-CG 3.13Å; S127-K131 PolarHBondContact O-N 3.32Å
128T90.3Very high90.5Very high37 Ų3748.1 Ų48.123%0.22726%0.26CS..Hα-helixtrans-71.1-42.6179.1-59.60000110.3A70 E125 V126 L130 K131 E132A70-T128 HydrophobicContact CB-CG2 4.37Å; E125-T128 PolarHBondContact O-N 3.38Å; E125-T128 PolarHBondContact OE1-OG1 2.9Å; E125-T128 WeakPolarHBondContact OE2-CB 3.32Å; E125-T128 PolarHBondContact OE2-OG1 3.32Å; V126-T128 PolarHBondContact O-N 2.82Å; T128-L130 PolarHBondContact O-N 2.95Å; T128-K131 PolarHBondContact O-N 2.91Å; T128-E132 PolarHBondContact O-N 2.99Å
129L90.9Very high90.8Very high0 Ų047.7 Ų47.70%026%0.258CS..Hα-helixtrans-57.9-47.8175.5-177.464.4000112L34 L58 I68 A70 V124 E125 V126 K131 E132 I133 M160 L224L34-L129 HydrophobicContact CD2-CD1 4.04Å; L34-L129 HydrophobicContact CD2-CD2 4.18Å; L58-L129 HydrophobicContact CD2-CD1 4.08Å; I68-L129 HydrophobicContact CG2-CD1 3.73Å; A70-L129 HydrophobicContact CB-CB 3.82Å; A70-L129 HydrophobicContact CB-CD1 4.08Å; V124-L129 HydrophobicContact CG1-CB 4.21Å; V124-L129 HydrophobicContact CG1-CD2 4.03Å; E125-L129 PolarHBondContact O-N 2.85Å; V126-L129 PolarHBondContact O-N 3.25Å; L129-K131 VanDerWaalsContact C-N 3.35Å; L129-K131 PolarHBondContact O-N 2.87Å; L129-E132 PolarHBondContact O-N 3.34Å; L129-E132 VanDerWaalsContact O-N 3.16Å; L129-I133 HydrophobicContact CD1-CG2 3.94Å; L129-I133 HydrophobicContact CG-CG2 4.29Å; L129-I133 WeakPolarHBondContact O-CG1 3.27Å; L129-I133 WeakPolarHBondContact O-CG2 3.25Å; L129-I133 PolarHBondContact O-N 3.01Å; L129-M160 HydrophobicContact CD2-CE 3.58Å; L129-M160 HydrophobicContact CD2-SD 4.26Å; L129-L224 HydrophobicContact CD2-CD1 3.55Å; L129-L224 HydrophobicContact CG-CD1 4.05Å
130L89.7Confident90.8Very high63 Ų6350.1 Ų50.133%0.3327%0.269SS..Hα-helixtrans-57.8-45.7-179.7-74.2173.8000111.9V126 T128 E132 I133 T134 L224V126-L130 HydrophobicContact CG1-CD1 3.85Å; V126-L130 HydrophobicContact CG1-CG 4.13Å; V126-L130 WeakPolarHBondContact O-CB 3.43Å; V126-L130 VanDerWaalsContact O-CG 3.25Å; V126-L130 WeakPolarHBondContact O-CG 3.39Å; V126-L130 PolarHBondContact O-N 2.93Å; T128-L130 PolarHBondContact O-N 2.95Å; L130-E132 VanDerWaalsContact C-N 3.29Å; L130-E132 PolarHBondContact O-N 3.05Å; L130-I133 HydrophobicContact CD2-CD1 4.11Å; L130-I133 WeakPolarHBondContact O-CG1 3.47Å; L130-I133 PolarHBondContact O-N 2.88Å; L130-T134 PolarHBondContact O-N 2.91Å; L130-T134 PolarHBondContact O-OG1 3.06Å; L130-L224 HydrophobicContact CD2-CB 4.22Å; L130-L224 HydrophobicContact CD2-CD1 4.06Å
131K87.4Confident90.8Very high163 Ų16355.6 Ų55.671%0.70930%0.297SS*.Hα-helixtrans-60-39177.4-70.8172.3-176.7175.50112.4S127 T128 L129S127-K131 WeakPolarHBondContact O-CG 3.13Å; S127-K131 PolarHBondContact O-N 3.32Å; T128-K131 PolarHBondContact O-N 2.91Å; L129-K131 VanDerWaalsContact C-N 3.35Å; L129-K131 PolarHBondContact O-N 2.87Å
132E86.4Confident90.8Very high29 Ų2955.7 Ų55.714%0.13630%0.298CS..Hα-helixtrans-74-37.2-179.6-73.8-176.4-147.700113.3I68 S69 A70 T128 L129 L130 R136I68-E132 VanDerWaalsContact CA-OE2 3.3Å; I68-E132 WeakPolarHBondContact CA-OE2 3.46Å; S69-E132 VanDerWaalsContact C-OE1 3.3Å; S69-E132 WeakPolarHBondContact CA-OE1 3.31Å; S69-E132 WeakPolarHBondContact CB-OE1 3.42Å; S69-E132 PolarHBondContact N-OE1 3.37Å; S69-E132 PolarHBondContact N-OE2 2.94Å; S69-E132 VanDerWaalsContact OG-CD 3.26Å; S69-E132 PolarHBondContact OG-OE1 2.88Å; A70-E132 PolarHBondContact N-OE1 3.14Å; T128-E132 PolarHBondContact O-N 2.99Å; L129-E132 PolarHBondContact O-N 3.34Å; L129-E132 VanDerWaalsContact O-N 3.16Å; L130-E132 VanDerWaalsContact C-N 3.29Å; L130-E132 PolarHBondContact O-N 3.05Å; E132-R136 WeakPolarHBondContact O-CG 3.41Å; E132-R136 IonicContact OE2-NH2 3.75Å
133I86.6Confident90.7Very high5 Ų557.1 Ų57.13%0.02631%0.312CS..Hα-helixtrans-77.5-29-177.164.9165.7000113.1L58 L129 L130 A135 R136 F222 L224L58-I133 HydrophobicContact CD2-CG2 4.33Å; L129-I133 HydrophobicContact CD1-CG2 3.94Å; L129-I133 HydrophobicContact CG-CG2 4.29Å; L129-I133 WeakPolarHBondContact O-CG1 3.27Å; L129-I133 WeakPolarHBondContact O-CG2 3.25Å; L129-I133 PolarHBondContact O-N 3.01Å; L130-I133 HydrophobicContact CD2-CD1 4.11Å; L130-I133 WeakPolarHBondContact O-CG1 3.47Å; L130-I133 PolarHBondContact O-N 2.88Å; I133-A135 PolarHBondContact O-N 2.83Å; I133-A135 VanDerWaalsContact O-N 3.13Å; I133-R136 PolarHBondContact O-N 3.46Å; I133-F222 HydrophobicContact CB-CE1 4.38Å; I133-F222 HydrophobicContact CB-CE2 3.92Å; I133-F222 HydrophobicContact CB-CZ 3.55Å; I133-F222 HydrophobicContact CD1-CD2 4.42Å; I133-F222 HydrophobicContact CD1-CE2 3.81Å; I133-F222 HydrophobicContact CD1-CZ 4.33Å; I133-F222 HydrophobicContact CG1-CE2 4.44Å; I133-F222 HydrophobicContact CG1-CZ 4.48Å; I133-F222 HydrophobicContact CG2-CE2 4.1Å; I133-F222 HydrophobicContact CG2-CZ 3.8Å; I133-L224 HydrophobicContact CD1-CD1 3.62Å; I133-L224 HydrophobicContact CD1-CG 3.7Å
134T83.3Confident90.7Very high119 Ų11955.5 Ų55.573%0.7330%0.304SS*.THydrogen-bonded Turntrans-58.3-29.3178.8-57.70000112.5L130L130-T134 PolarHBondContact O-N 2.91Å; L130-T134 PolarHBondContact O-OG1 3.06Å
135A82.1Confident90.7Very high94 Ų9455.5 Ų55.578%0.77730%0.304SS*.THydrogen-bonded Turntrans-86.6-5.3178.400000113.9I133I133-A135 PolarHBondContact O-N 2.83Å; I133-A135 VanDerWaalsContact O-N 3.13Å
136R89.8Confident90.7Very high35 Ų3558.6 Ų58.613%0.13231%0.312CS..  trans-113.8155-172.3-62.7-176.9-166-152.57.1111.2L62 R66 E67 E132 I133L62-R136 HydrophobicContact CD2-CB 4.44Å; R66-R136 PolarHBondContact O-NH1 3.38Å; E67-R136 PolarHBondContact O-NH2 2.96Å; E132-R136 WeakPolarHBondContact O-CG 3.41Å; E132-R136 IonicContact OE2-NH2 3.75Å; I133-R136 PolarHBondContact O-N 3.46Å
137K93.2Very high90.7Very high90 Ų9063.2 Ų63.239%0.39133%0.331SS..  trans-120152177.4-70.8-168.7169.7-144.90110.6L62 L63 D219 G220L62-K137 WeakPolarHBondContact CA-O 3.48Å; L63-K137 HydrophobicContact CD1-CB 3.96Å; L63-K137 PolarHBondContact N-O 3.43Å; K137-D219 PolarHBondContact NZ-O 3.29Å; K137-D219 IonicContact NZ-OD2 3.04Å; K137-D219 PolarHBondContact NZ-OD2 3.14Å; K137-G220 CarbonylContact C-O 3.58Å; K137-G220 VanDerWaalsContact CA-O 3.27Å; K137-G220 WeakPolarHBondContact CA-O 3.38Å
138I94.8Very high90.8Very high2 Ų260.6 Ų60.61%0.0131%0.313CS..BIsolated β-bridgetrans-76.2139.2174.2-76.1179.6000110.4I61 L62 F140 I145 I216 G220 F222I61-I138 HydrophobicContact CD1-CD1 4.34Å; I61-I138 WeakPolarHBondContact O-CA 3.41Å; L62-I138 HydrophobicContact CD2-CG1 4.02Å; I138-F140 PolarHBondContact O-N 2.78Å; I138-I145 HydrophobicContact CG2-CD1 3.89Å; I138-I145 HydrophobicContact CG2-CG1 3.88Å; I138-I145 HydrophobicContact CG2-CG2 4.01Å; I138-I216 HydrophobicContact CD1-CB 4.33Å; I138-I216 HydrophobicContact CD1-CD1 3.44Å; I138-I216 VanDerWaalsContact CD1-CD1 3.44Å; I138-I216 HydrophobicContact CD1-CG1 3.53Å; I138-I216 HydrophobicContact CD1-CG2 3.96Å; I138-G220 PolarHBondContact N-O 3.02Å; I138-F222 HydrophobicContact CD1-CB 3.74Å; I138-F222 HydrophobicContact CD1-CD1 3.9Å; I138-F222 HydrophobicContact CD1-CD2 4.26Å; I138-F222 HydrophobicContact CD1-CG 3.69Å; I138-F222 HydrophobicContact CG1-CB 4.33Å; I138-F222 HydrophobicContact CG1-CD1 3.6Å; I138-F222 HydrophobicContact CG1-CE1 4.05Å; I138-F222 HydrophobicContact CG1-CG 3.95Å
139N94.8Very high90.7Very high43 Ų4365.7 Ų65.723%0.2333%0.328CS..  trans-78.9102.7171.1-177-1.5000110.2I61 L63 D141 H142I61-N139 PolarHBondContact O-N 2.74Å; L63-N139 HydrophobicContact CD2-CB 3.69Å; L63-N139 HydrophobicContact CG-CB 4.08Å; N139-D141 PolarHBondContact O-N 3.02Å; N139-D141 WeakPolarHBondContact OD1-CB 3.32Å; N139-D141 PolarHBondContact OD1-N 3.34Å; N139-H142 HydrophobicContact CB-CB 4.37Å; N139-H142 VanDerWaalsContact O-CB 3.3Å; N139-H142 WeakPolarHBondContact O-CB 3.25Å; N139-H142 PolarHBondContact O-N 2.8Å
140F94Very high90.5Very high52 Ų5270.8 Ų70.823%0.22836%0.363CS..THydrogen-bonded Turntrans-68.2-19.4177.9-78.5-63.4000114.7I138 H142 I145 R146 I216 Y217I138-F140 PolarHBondContact O-N 2.78Å; F140-H142 PolarHBondContact O-N 3.31Å; F140-I145 HydrophobicContact CD1-CG2 3.78Å; F140-I145 HydrophobicContact CE1-CG2 4.31Å; F140-R146 WeakPolarHBondContact O-CG 3.45Å; F140-I216 HydrophobicContact CE1-CG2 3.93Å; F140-I216 HydrophobicContact CZ-CG2 3.93Å; F140-Y217 WeakPolarHBondContact CZ-O 3.47Å
141D93.8Very high90.1Very high136 Ų13670.2 Ų70.273%0.72736%0.364SS*.THydrogen-bonded Turntrans-78.5-14.3177.6-65.4-39.6000112.1N139 S143N139-D141 PolarHBondContact O-N 3.02Å; N139-D141 WeakPolarHBondContact OD1-CB 3.32Å; N139-D141 PolarHBondContact OD1-N 3.34Å; D141-S143 PolarHBondContact O-N 3.15Å
142H94.9Very high89.5Confident28 Ų2871.9 Ų71.913%0.1337%0.366CS..SBendtrans-61.1129.7177-168.5-73.6000111.1F56 D60 N139 F140 L144 I145 R146F56-H142 AromaticContact CD1-CE1 3.64Å; F56-H142 AromaticContact CD1-NE2 3.53Å; F56-H142 AromaticContact CD2-CE1 3.94Å; F56-H142 AromaticContact CE1-CE1 3.61Å; F56-H142 AromaticContact CE1-NE2 3.53Å; F56-H142 AromaticContact CE2-CE1 3.89Å; F56-H142 AromaticContact CG-CE1 3.81Å; F56-H142 AromaticContact CZ-CE1 3.73Å; D60-H142 PolarHBondContact O-CD2 2.99Å; D60-H142 VanDerWaalsContact O-CD2 3.31Å; N139-H142 HydrophobicContact CB-CB 4.37Å; N139-H142 VanDerWaalsContact O-CB 3.3Å; N139-H142 WeakPolarHBondContact O-CB 3.25Å; N139-H142 PolarHBondContact O-N 2.8Å; F140-H142 PolarHBondContact O-N 3.31Å; H142-L144 VanDerWaalsContact C-N 3.33Å; H142-L144 WeakPolarHBondContact ND1-CB 3.39Å; H142-L144 PolarHBondContact ND1-N 3.45Å; H142-L144 VanDerWaalsContact ND1-N 3.2Å; H142-L144 PolarHBondContact O-N 3.03Å; H142-I145 HydrophobicContact CB-CB 4.42Å; H142-I145 HydrophobicContact CB-CG1 4Å; H142-I145 WeakPolarHBondContact O-CB 3.29Å; H142-I145 PolarHBondContact O-N 3.24Å; H142-R146 PolarHBondContact O-N 3.49Å
143S93.7Very high89.3Confident63 Ų6376.2 Ų76.244%0.44139%0.385SS..Hα-helixtrans-55-44-173.359.90000113.2D141 I145 R146 Q147D141-S143 PolarHBondContact O-N 3.15Å; S143-I145 VanDerWaalsContact C-N 3.33Å; S143-I145 PolarHBondContact O-N 2.86Å; S143-R146 PolarHBondContact O-N 2.8Å; S143-Q147 WeakPolarHBondContact O-CB 3.44Å; S143-Q147 VanDerWaalsContact O-CG 3.31Å; S143-Q147 WeakPolarHBondContact O-CG 3.37Å; S143-Q147 PolarHBondContact O-N 2.64Å
144L94.1Very high89.3Confident13 Ų1376.6 Ų76.67%0.06839%0.389CS..Hα-helixtrans-59.2-41.1176-178.265000112.6L36 V38 T54 F56 I61 H142 S148 L156L36-L144 HydrophobicContact CB-CD2 4.44Å; L36-L144 HydrophobicContact CD1-CD2 3.89Å; V38-L144 HydrophobicContact CG2-CD1 4.41Å; T54-L144 HydrophobicContact CG2-CD1 4.12Å; T54-L144 HydrophobicContact CG2-CD2 4.31Å; F56-L144 HydrophobicContact CB-CD2 4.27Å; F56-L144 HydrophobicContact CD2-CB 4.17Å; F56-L144 HydrophobicContact CD2-CD2 3.92Å; F56-L144 HydrophobicContact CE2-CB 4.3Å; F56-L144 HydrophobicContact CG-CD2 4.44Å; I61-L144 HydrophobicContact CG2-CD2 4.42Å; H142-L144 VanDerWaalsContact C-N 3.33Å; H142-L144 WeakPolarHBondContact ND1-CB 3.39Å; H142-L144 PolarHBondContact ND1-N 3.45Å; H142-L144 VanDerWaalsContact ND1-N 3.2Å; H142-L144 PolarHBondContact O-N 3.03Å; L144-S148 WeakPolarHBondContact O-CB 3.44Å; L144-S148 PolarHBondContact O-N 2.87Å; L144-S148 PolarHBondContact O-OG 2.88Å; L144-L156 HydrophobicContact CD1-CD2 4.24Å; L144-L156 HydrophobicContact CD2-CD2 3.92Å; L144-L156 HydrophobicContact CG-CD2 3.98Å
145I93.9Very high89.7Confident1 Ų171 Ų711%0.00536%0.355CS..Hα-helixtrans-68.9-46.7-178.9-58.8-60.4000109.6I61 I138 F140 H142 S143 Q147 S148 R149 L156 I216 F234I61-I145 HydrophobicContact CB-CD1 4.07Å; I61-I145 HydrophobicContact CB-CG1 4.23Å; I61-I145 HydrophobicContact CD1-CD1 3.91Å; I61-I145 HydrophobicContact CG2-CD1 4.15Å; I61-I145 HydrophobicContact CG2-CG1 4.29Å; I138-I145 HydrophobicContact CG2-CD1 3.89Å; I138-I145 HydrophobicContact CG2-CG1 3.88Å; I138-I145 HydrophobicContact CG2-CG2 4.01Å; F140-I145 HydrophobicContact CD1-CG2 3.78Å; F140-I145 HydrophobicContact CE1-CG2 4.31Å; H142-I145 HydrophobicContact CB-CB 4.42Å; H142-I145 HydrophobicContact CB-CG1 4Å; H142-I145 WeakPolarHBondContact O-CB 3.29Å; H142-I145 PolarHBondContact O-N 3.24Å; S143-I145 VanDerWaalsContact C-N 3.33Å; S143-I145 PolarHBondContact O-N 2.86Å; I145-Q147 PolarHBondContact O-N 3.23Å; I145-S148 PolarHBondContact O-N 2.78Å; I145-R149 VanDerWaalsContact O-CB 3.28Å; I145-R149 WeakPolarHBondContact O-CB 3.46Å; I145-R149 PolarHBondContact O-N 3.33Å; I145-L156 HydrophobicContact CD1-CD1 3.54Å; I145-I216 HydrophobicContact CD1-CD1 4.4Å; I145-F234 HydrophobicContact CG2-CE1 4.05Å; I145-F234 HydrophobicContact CG2-CZ 4.44Å
146R92Very high90.3Very high159 Ų15966.6 Ų66.660%0.632%0.318SS*.Hα-helixtrans-56.9-49176.3-66.6-179.459.8-166.2-1.1112F140 H142 S143 R149 S150F140-R146 WeakPolarHBondContact O-CG 3.45Å; H142-R146 PolarHBondContact O-N 3.49Å; S143-R146 PolarHBondContact O-N 2.8Å; R146-R149 PolarHBondContact O-N 3.18Å; R146-S150 PolarHBondContact O-N 3.31Å; R146-S150 VanDerWaalsContact O-N 3.14Å; R146-S150 PolarHBondContact O-OG 3.05Å
147Q90.7Very high90.6Very high134 Ų13465 Ų6563%0.62631%0.311SS*.Hα-helixtrans-65.1-42.1179.6-71.3175.71.300112.3S143 I145 S150 S151S143-Q147 WeakPolarHBondContact O-CB 3.44Å; S143-Q147 VanDerWaalsContact O-CG 3.31Å; S143-Q147 WeakPolarHBondContact O-CG 3.37Å; S143-Q147 PolarHBondContact O-N 2.64Å; I145-Q147 PolarHBondContact O-N 3.23Å; Q147-S150 PolarHBondContact O-N 3.5Å; Q147-S151 PolarHBondContact O-N 2.68Å
148S90.3Very high90.8Very high6 Ų660.7 Ų60.74%0.04229%0.293CS..Hα-helixtrans-67.1-39.6179.3-60.80000111.4L144 I145 S150 S151L144-S148 WeakPolarHBondContact O-CB 3.44Å; L144-S148 PolarHBondContact O-N 2.87Å; L144-S148 PolarHBondContact O-OG 2.88Å; I145-S148 PolarHBondContact O-N 2.78Å; S148-S150 PolarHBondContact O-N 2.95Å; S148-S151 PolarHBondContact O-N 3.08Å; S148-S151 VanDerWaalsContact O-N 3.13Å
149R88.5Confident90.8Very high145 Ų14560.6 Ų60.655%0.54729%0.292SS..Hα-helixtrans-63.4-40.6177.2-167.5174.488.2175.67.3112.1I145 R146 S151 F234I145-R149 VanDerWaalsContact O-CB 3.28Å; I145-R149 WeakPolarHBondContact O-CB 3.46Å; I145-R149 PolarHBondContact O-N 3.33Å; R146-R149 PolarHBondContact O-N 3.18Å; R149-S151 PolarHBondContact O-N 3.49Å; R149-F234 HydrophobicContact CB-CD1 4.01Å; R149-F234 HydrophobicContact CB-CD2 4.41Å; R149-F234 HydrophobicContact CB-CE1 3.81Å; R149-F234 HydrophobicContact CB-CE2 4.26Å; R149-F234 HydrophobicContact CB-CG 4.3Å; R149-F234 HydrophobicContact CB-CZ 3.95Å; R149-F234 HydrophobicContact CG-CB 4.48Å; R149-F234 HydrophobicContact CG-CD1 3.8Å; R149-F234 HydrophobicContact CG-CE1 4.12Å; R149-F234 HydrophobicContact CG-CG 4.03Å
150S85.9Confident90.8Very high106 Ų10658.6 Ų58.674%0.74128%0.282SS*.Hα-helixtrans-67-23.8175.6-630000113R146 Q147 S148R146-S150 PolarHBondContact O-N 3.31Å; R146-S150 VanDerWaalsContact O-N 3.14Å; R146-S150 PolarHBondContact O-OG 3.05Å; Q147-S150 PolarHBondContact O-N 3.5Å; S148-S150 PolarHBondContact O-N 2.95Å
151S82.5Confident90.9Very high51 Ų5156.6 Ų56.636%0.35727%0.273SS..  trans-91.5106.8-178.5-178.50000112.4Q147 S148 R149 K153 A154Q147-S151 PolarHBondContact O-N 2.68Å; S148-S151 PolarHBondContact O-N 3.08Å; S148-S151 VanDerWaalsContact O-N 3.13Å; R149-S151 PolarHBondContact O-N 3.49Å; S151-K153 PolarHBondContact O-N 2.88Å; S151-A154 PolarHBondContact O-N 2.87Å; S151-A154 WeakPolarHBondContact OG-CB 3.33Å; S151-A154 PolarHBondContact OG-N 2.85Å
152R74.8Confident91Very high199 Ų19950.1 Ų50.175%0.75124%0.239SC*.THydrogen-bonded Turntrans-63.2-12.8177-67.4-172.5177.8178.20.9115
153K81.5Confident91Very high120 Ų12048.9 Ų48.952%0.52223%0.233SC..THydrogen-bonded Turntrans-111.2-2.2-174.9-64-177.3-179.2175.90113.5K40 K41 S151K40-K153 WeakPolarHBondContact CA-O 3.36Å; K41-K153 HydrophobicContact CB-CB 4.5Å; K41-K153 PolarHBondContact N-O 2.82Å; S151-K153 PolarHBondContact O-N 2.88Å
154A86.9Confident91.1Very high13 Ų1347.9 Ų47.911%0.10722%0.219CC..EExtended strand (participates in β ladder)trans-100.5138.1177.400000110.2V38 S151V38-A154 HydrophobicContact CG1-CB 3.74Å; S151-A154 PolarHBondContact O-N 2.87Å; S151-A154 WeakPolarHBondContact OG-CB 3.33Å; S151-A154 PolarHBondContact OG-N 2.85Å
155V91.9Very high91.1Very high2 Ų247.3 Ų47.31%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-125.4128.9169.6179.40000106.8K39 E213K39-V155 HydrophobicContact CB-CB 4.42Å; K39-V155 PolarHBondContact N-O 3.04Å; K39-V155 PolarHBondContact O-N 3.05Å; V155-E213 HydrophobicContact CG1-CB 3.95Å; V155-E213 HydrophobicContact CG1-CG 4.23Å
156L95.4Very high91Very high1 Ų149.1 Ų49.11%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-76.6139173.8-73.1167.1000109.2V38 L144 I145 L214 I216 F234V38-L156 HydrophobicContact CG2-CD2 3.96Å; L144-L156 HydrophobicContact CD1-CD2 4.24Å; L144-L156 HydrophobicContact CD2-CD2 3.92Å; L144-L156 HydrophobicContact CG-CD2 3.98Å; I145-L156 HydrophobicContact CD1-CD1 3.54Å; L156-L214 HydrophobicContact CB-CB 4.49Å; L156-L214 HydrophobicContact CB-CD1 4.08Å; L156-L214 PolarHBondContact O-N 3.35Å; L156-I216 HydrophobicContact CD1-CD1 4.2Å; L156-F234 HydrophobicContact CD1-CZ 4.1Å
157C95.3Very high90.9Very high0 Ų050.3 Ų50.30%023%0.232CC..EExtended strand (participates in β ladder)trans-135.6147.6178.3-45.20000109.7L36 V37 K39 V211 F212L36-C157 WeakPolarHBondContact CA-O 3.5Å; V37-C157 HydrophobicContact CG2-CB 3.84Å; V37-C157 PolarHBondContact N-O 2.98Å; V37-C157 PolarHBondContact O-N 2.89Å; K39-C157 VanDerWaalsContact CB-SG 3.58Å; C157-V211 HydrophobicContact CB-CB 3.85Å; C157-V211 HydrophobicContact CB-CG1 4.38Å; C157-V211 HydrophobicContact CB-CG2 3.95Å; C157-F212 CarbonylContact C-O 3.59Å; C157-F212 WeakPolarHBondContact CA-O 3.43Å; C157-F212 WeakPolarHBondContact CB-O 3.42Å
158V96.2Very high90.9Very high0 Ų050.7 Ų50.70%023%0.234CC..EExtended strand (participates in β ladder)trans-100.4132.2174.1-176.30000108L34 L36 L58 M160 V211 F212 L214 L224L34-V158 HydrophobicContact CD2-CG1 4.44Å; L36-V158 HydrophobicContact CD2-CG2 3.85Å; L58-V158 HydrophobicContact CB-CG1 4.39Å; L58-V158 HydrophobicContact CB-CG2 4.43Å; L58-V158 HydrophobicContact CD1-CG2 3.99Å; L58-V158 HydrophobicContact CD2-CG1 4.28Å; L58-V158 HydrophobicContact CD2-CG2 4.19Å; L58-V158 HydrophobicContact CG-CG2 4.43Å; V158-M160 HydrophobicContact CB-SD 4.15Å; V158-M160 HydrophobicContact CG1-SD 3.95Å; V158-M160 PolarHBondContact O-N 2.74Å; V158-V211 CarbonylContact O-C 3.46Å; V158-V211 WeakPolarHBondContact O-CA 3.38Å; V158-V211 WeakPolarHBondContact O-CB 3.26Å; V158-F212 PolarHBondContact N-O 3.01Å; V158-F212 PolarHBondContact O-N 2.79Å; V158-L214 HydrophobicContact CG2-CD1 3.83Å; V158-L214 HydrophobicContact CG2-CD2 3.82Å; V158-L214 HydrophobicContact CG2-CG 3.88Å; V158-L224 HydrophobicContact CB-CD2 4.36Å; V158-L224 HydrophobicContact CG2-CD2 4.05Å
159V96.6Very high90.7Very high0 Ų050.7 Ų50.70%023%0.234CC..EExtended strand (participates in β ladder)trans-69.7118.7171.3177.60000108.7Q32 P33 L34 S35 V37 E161 F209 S210 V211Q32-V159 VanDerWaalsContact O-CB 3.28Å; Q32-V159 WeakPolarHBondContact O-CB 3.42Å; Q32-V159 WeakPolarHBondContact O-CG1 3.4Å; P33-V159 CarbonylContact C-O 3.51Å; L34-V159 PolarHBondContact N-O 2.84Å; S35-V159 WeakPolarHBondContact O-CG2 3.43Å; S35-V159 PolarHBondContact O-N 2.98Å; V37-V159 HydrophobicContact CG1-CG2 3.82Å; V37-V159 HydrophobicContact CG2-CG2 4.46Å; V159-E161 WeakPolarHBondContact CG1-O 3.4Å; V159-F209 HydrophobicContact CG1-CB 4.17Å; V159-F209 HydrophobicContact CG2-CD2 4.27Å; V159-S210 CarbonylContact C-O 3.53Å; V159-S210 WeakPolarHBondContact CA-O 3.33Å; V159-V211 HydrophobicContact CG2-CG1 4.27Å
160M94.8Very high90.4Very high2 Ų246.8 Ų46.81%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-99.7-33.9-177.5-60.6-52.1-64.400111.9V124 V126 L129 V158 S210 F212V124-M160 HydrophobicContact CB-CE 4.09Å; V124-M160 HydrophobicContact CG1-CE 4.35Å; V124-M160 WeakPolarHBondContact CG2-O 3.43Å; V124-M160 PolarHBondContact N-O 3.44Å; V126-M160 HydrophobicContact CG2-CE 4.07Å; L129-M160 HydrophobicContact CD2-CE 3.58Å; L129-M160 HydrophobicContact CD2-SD 4.26Å; V158-M160 HydrophobicContact CB-SD 4.15Å; V158-M160 HydrophobicContact CG1-SD 3.95Å; V158-M160 PolarHBondContact O-N 2.74Å; M160-S210 PolarHBondContact N-O 2.83Å; M160-F212 HydrophobicContact CE-CD2 3.72Å; M160-F212 HydrophobicContact CE-CE2 3.86Å; M160-F212 HydrophobicContact CG-CB 3.85Å; M160-F212 HydrophobicContact CG-CD1 3.99Å; M160-F212 HydrophobicContact CG-CD2 3.5Å; M160-F212 HydrophobicContact CG-CE1 4.42Å; M160-F212 HydrophobicContact CG-CE2 3.98Å; M160-F212 HydrophobicContact CG-CG 3.49Å; M160-F212 VanDerWaalsContact CG-CG 3.49Å; M160-F212 HydrophobicContact CG-CZ 4.4Å; M160-F212 HydrophobicContact SD-CB 4.24Å; M160-F212 HydrophobicContact SD-CD2 3.77Å; M160-F212 HydrophobicContact SD-CE2 4.42Å; M160-F212 HydrophobicContact SD-CG 4.17Å
161E94.6Very high90.4Very high10 Ų1042 Ų425%0.04720%0.195CC..EExtended strand (participates in β ladder)trans-135148.1177.8-52.7163.7152.500109.6R18 K121 H122 E123 V159 F209 S210R18-E161 IonicContact CZ-OE1 2.7Å; R18-E161 IonicContact CZ-OE2 2.74Å; R18-E161 IonicContact NH1-OE1 3.77Å; R18-E161 PolarHBondContact NH1-OE1 3.04Å; R18-E161 IonicContact NH1-OE2 2.79Å; R18-E161 PolarHBondContact NH1-OE2 3.44Å; R18-E161 IonicContact NH2-OE1 2.63Å; K121-E161 VanDerWaalsContact CE-OE1 3.29Å; K121-E161 WeakPolarHBondContact CE-OE1 3.38Å; K121-E161 VanDerWaalsContact NZ-CD 3.34Å; K121-E161 IonicContact NZ-OE1 3.64Å; K121-E161 PolarHBondContact NZ-OE1 2.7Å; K121-E161 IonicContact NZ-OE2 3.59Å; H122-E161 CarbonylContact O-C 3.27Å; H122-E161 WeakPolarHBondContact O-CA 3.37Å; E123-E161 HydrophobicContact CB-CG 4.01Å; E123-E161 VanDerWaalsContact CD-OE1 3.32Å; E123-E161 HydrophobicContact CG-CG 3.77Å; V159-E161 WeakPolarHBondContact CG1-O 3.4Å; E161-F209 CarbonylContact O-C 3.6Å; E161-F209 VanDerWaalsContact O-CA 3.23Å; E161-F209 WeakPolarHBondContact O-CA 3.47Å; E161-F209 WeakPolarHBondContact O-CB 3.43Å; E161-S210 VanDerWaalsContact CB-OG 3.24Å; E161-S210 WeakPolarHBondContact CB-OG 3.05Å; E161-S210 VanDerWaalsContact CD-OG 3.24Å; E161-S210 VanDerWaalsContact CG-OG 3.31Å; E161-S210 WeakPolarHBondContact CG-OG 3.19Å; E161-S210 PolarHBondContact N-O 2.98Å; E161-S210 PolarHBondContact O-N 2.98Å; E161-S210 WeakPolarHBondContact OE2-CB 3.28Å; E161-S210 PolarHBondContact OE2-OG 3.46Å
162S95.8Very high90.3Very high0 Ų040.5 Ų40.50%018%0.184CC..EExtended strand (participates in β ladder)trans-137.9140.617167.90000109.7Y31 P33 H122Y31-S162 WeakPolarHBondContact O-CB 3.46Å; P33-S162 WeakPolarHBondContact CD-OG 3.46Å; H122-S162 PolarHBondContact N-O 2.85Å; H122-S162 PolarHBondContact O-N 3.46Å
163I95.5Very high90.4Very high1 Ų131.1 Ų31.11%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-106.5122.9173.8-59.6174.3000107.3F9 L19 L77 V119 T120 K121 T206 I207 A208F9-I163 HydrophobicContact CE1-CD1 3.8Å; F9-I163 HydrophobicContact CE1-CG2 4.09Å; F9-I163 HydrophobicContact CZ-CD1 4.12Å; F9-I163 HydrophobicContact CZ-CG2 3.84Å; L19-I163 HydrophobicContact CD1-CD1 3.9Å; L19-I163 HydrophobicContact CD2-CD1 3.93Å; L77-I163 HydrophobicContact CD2-CD1 3.72Å; L77-I163 HydrophobicContact CD2-CG1 4.22Å; L77-I163 HydrophobicContact CD2-CG2 4.36Å; V119-I163 HydrophobicContact CB-CG2 3.9Å; V119-I163 HydrophobicContact CG2-CG2 4.04Å; T120-I163 CarbonylContact O-C 3.6Å; T120-I163 WeakPolarHBondContact O-CA 3.17Å; K121-I163 HydrophobicContact CG-CG1 4.43Å; I163-T206 CarbonylContact O-C 3.53Å; I163-T206 WeakPolarHBondContact O-CA 3.34Å; I163-I207 HydrophobicContact CB-CG1 4.21Å; I163-I207 HydrophobicContact CG2-CD1 3.96Å; I163-I207 HydrophobicContact CG2-CG1 3.87Å; I163-I207 WeakPolarHBondContact O-CG1 3.36Å; I163-I207 PolarHBondContact O-N 2.91Å; I163-A208 HydrophobicContact CB-CB 4.32Å; I163-A208 HydrophobicContact CD1-CB 4.23Å; I163-A208 PolarHBondContact N-O 3.35Å
164R95.6Very high90Very high43 Ų4327 Ų2716%0.16213%0.132CC..EExtended strand (participates in β ladder)trans-122.8149.1-173.5-61.9179.673.3161.64.2111.1V119 T120 H204 T205V119-R164 CarbonylContact C-O 3.48Å; V119-R164 VanDerWaalsContact CA-O 3.28Å; V119-R164 WeakPolarHBondContact CA-O 3.41Å; T120-R164 PolarHBondContact N-O 3.33Å; T120-R164 PolarHBondContact O-N 2.89Å; T120-R164 PolarHBondContact OG1-O 3.16Å; R164-H204 VanDerWaalsContact CZ-O 3.28Å; R164-H204 PolarHBondContact NE-O 2.95Å; R164-H204 PolarHBondContact NH2-O 3.47Å; R164-T205 WeakPolarHBondContact CA-O 3.31Å
165T94Very high89.1Confident0 Ų027 Ų270%013%0.132CC..EExtended strand (participates in β ladder)trans-73.9147.3171.461.10000110.7F116 V119 C169 F201 H204 T205 I207F116-T165 HydrophobicContact CB-CG2 4.4Å; V119-T165 HydrophobicContact CG1-CG2 4.46Å; T165-C169 VanDerWaalsContact CG2-SG 3.54Å; T165-F201 HydrophobicContact CG2-CE2 3.89Å; T165-F201 HydrophobicContact CG2-CZ 4.39Å; T165-H204 WeakPolarHBondContact O-CA 3.4Å; T165-H204 PolarHBondContact O-N 3.28Å; T165-H204 PolarHBondContact OG1-N 3.24Å; T165-T205 PolarHBondContact N-O 3.43Å; T165-T205 PolarHBondContact OG1-N 2.89Å; T165-T205 VanDerWaalsContact OG1-N 3.15Å; T165-I207 HydrophobicContact CG2-CG2 3.92Å
166T91.4Very high87.5Confident40 Ų4027.5 Ų27.525%0.24514%0.138CC..SBendtrans-92.3-24.117657.40000113.1I118 T120I118-T166 HydrophobicContact CB-CG2 4.47Å; I118-T166 HydrophobicContact CG2-CG2 4.04Å; I118-T166 WeakPolarHBondContact O-CB 3.4Å; I118-T166 WeakPolarHBondContact O-CG2 3.14Å; I118-T166 PolarHBondContact O-N 2.89Å; I118-T166 VanDerWaalsContact O-N 3.08Å; I118-T166 PolarHBondContact O-OG1 3.06Å; T120-T166 HydrophobicContact CG2-CG2 3.49Å; T120-T166 VanDerWaalsContact CG2-CG2 3.49Å
167R89.8Confident85.6Confident184 Ų18433.2 Ų33.269%0.69417%0.167SC*.SBendtrans-132.8170.1-176.2-64-176.2-178.9-175.60.1110.1C169 A203R167-C169 PolarHBondContact O-N 3.32Å; R167-C169 PolarHBondContact O-SG 2.63Å; R167-A203 WeakPolarHBondContact O-CA 3.32Å
168Q90.6Very high83.5Confident141 Ų14142.8 Ų42.866%0.65920%0.203SC*.  trans-59.9134168.8-174.9176.69.100109.6V200 F201Q168-V200 HydrophobicContact CG-CG1 3.54Å; Q168-F201 WeakPolarHBondContact CA-O 3.25Å; Q168-F201 WeakPolarHBondContact CG-O 3.4Å
169C87.1Confident81.2Confident7 Ų746.8 Ų46.85%0.04724%0.244CC..EExtended strand (participates in β ladder)trans-120.1152.9-175.2-61.50000110.6F116 T165 R167 V200 F201F116-C169 PolarHBondContact O-SG 2.85Å; T165-C169 VanDerWaalsContact CG2-SG 3.54Å; R167-C169 PolarHBondContact O-N 3.32Å; R167-C169 PolarHBondContact O-SG 2.63Å; C169-V200 VanDerWaalsContact O-CA 3.31Å; C169-V200 WeakPolarHBondContact O-CA 3.29Å; C169-V200 WeakPolarHBondContact O-CG1 3.47Å; C169-F201 HydrophobicContact CB-CD1 4.39Å; C169-F201 HydrophobicContact CB-CD2 4.27Å; C169-F201 HydrophobicContact CB-CE1 3.79Å; C169-F201 HydrophobicContact CB-CE2 3.68Å; C169-F201 HydrophobicContact CB-CZ 3.42Å; C169-F201 VanDerWaalsContact CB-CZ 3.42Å; C169-F201 PolarHBondContact N-O 3.06Å; C169-F201 PolarHBondContact O-N 2.82Å
170S82.7Confident78.9Confident63 Ų6353.9 Ų53.944%0.44128%0.277SS..EExtended strand (participates in β ladder)trans-126.1138176.567.50000110.7S115 I199S115-S170 PolarHBondContact N-O 3.02Å; S170-I199 CarbonylContact C-O 3.58Å; S170-I199 WeakPolarHBondContact CA-O 3.19Å
171L84.9Confident76.5Confident5 Ų557.9 Ų57.93%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-120.4121.6171.4-55.3172.2000106.9F2 A5 A114 F116 A198 I199 F201F2-L171 HydrophobicContact CB-CD1 4.32Å; F2-L171 HydrophobicContact CD2-CD1 4.14Å; A5-L171 HydrophobicContact CB-CD1 3.72Å; A5-L171 HydrophobicContact CB-CD2 3.79Å; A5-L171 HydrophobicContact CB-CG 4.4Å; A114-L171 HydrophobicContact CB-CD2 3.58Å; F116-L171 HydrophobicContact CD1-CD2 4.28Å; F116-L171 HydrophobicContact CE1-CD1 4.18Å; F116-L171 HydrophobicContact CE1-CD2 3.75Å; F116-L171 HydrophobicContact CE1-CG 4.38Å; F116-L171 HydrophobicContact CZ-CD2 4.3Å; L171-A198 CarbonylContact O-C 3.54Å; L171-A198 VanDerWaalsContact O-CA 3.26Å; L171-A198 WeakPolarHBondContact O-CA 3.33Å; L171-I199 HydrophobicContact CB-CD1 4.28Å; L171-I199 HydrophobicContact CB-CG1 3.76Å; L171-I199 HydrophobicContact CD1-CD1 3.77Å; L171-I199 HydrophobicContact CD1-CG1 4.15Å; L171-I199 HydrophobicContact CG-CD1 4.47Å; L171-I199 HydrophobicContact CG-CG1 4.33Å; L171-I199 PolarHBondContact N-O 2.99Å; L171-I199 PolarHBondContact O-N 2.9Å; L171-F201 HydrophobicContact CD1-CE1 3.86Å; L171-F201 HydrophobicContact CG-CE1 3.95Å
172S81.1Confident74.4Confident20 Ų2059.8 Ų59.814%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-122.4148.1178.668.80000111.3K113 H174 K197K113-S172 PolarHBondContact N-O 2.77Å; K113-S172 PolarHBondContact O-N 2.97Å; K113-S172 VanDerWaalsContact O-O 3.09Å; S172-H174 PolarHBondContact OG-NE2 3.04Å; S172-K197 CarbonylContact C-O 3.55Å; S172-K197 WeakPolarHBondContact CA-O 3.28Å
173V76.8Confident72.1Confident2 Ų268.5 Ų68.51%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-138.1123.3-179.5-175.50000107.1M1 V100 I102 I110 A111 V112 D196 K197M1-V173 HydrophobicContact CG-CG2 3.88Å; M1-V173 HydrophobicContact SD-CB 4.31Å; M1-V173 HydrophobicContact SD-CG2 3.63Å; V100-V173 HydrophobicContact CG1-CB 4.05Å; V100-V173 HydrophobicContact CG1-CG1 3.78Å; V100-V173 HydrophobicContact CG1-CG2 3.26Å; I102-V173 HydrophobicContact CD1-CB 3.89Å; I102-V173 HydrophobicContact CD1-CG1 3.3Å; I102-V173 HydrophobicContact CG1-CG1 4.35Å; I110-V173 HydrophobicContact CG2-CG1 3.53Å; A111-V173 WeakPolarHBondContact O-CA 3.45Å; V112-V173 HydrophobicContact CG1-CG2 4.26Å; V112-V173 HydrophobicContact CG2-CG1 4.08Å; V112-V173 HydrophobicContact CG2-CG2 4.37Å; V173-D196 WeakPolarHBondContact O-CA 3.4Å; V173-K197 PolarHBondContact N-O 2.97Å; V173-K197 PolarHBondContact O-N 2.85Å
174H72.5Confident69.8Low33 Ų3371.1 Ų71.115%0.15336%0.364CS..EExtended strand (participates in β ladder)trans-112.7123.1179.2-59.9-85.7000107.9I110 A111 S172 M182 F184 D196I110-H174 CarbonylContact C-O 3.59Å; I110-H174 WeakPolarHBondContact CA-O 3.23Å; A111-H174 HydrophobicContact CB-CB 4.49Å; A111-H174 PolarHBondContact N-O 3.39Å; A111-H174 PolarHBondContact O-N 3.15Å; S172-H174 PolarHBondContact OG-NE2 3.04Å; H174-M182 HydrophobicContact CB-CE 3.64Å; H174-M182 WeakPolarHBondContact O-CE 3.31Å; H174-F184 AromaticContact CD2-CE1 3.92Å; H174-D196 IonicContact CE1-OD2 2.87Å; H174-D196 PolarHBondContact CE1-OD2 2.95Å; H174-D196 IonicContact CG-OD1 2.7Å; H174-D196 IonicContact ND1-OD1 3.65Å; H174-D196 PolarHBondContact ND1-OD1 3.18Å; H174-D196 IonicContact ND1-OD2 3Å; H174-D196 PolarHBondContact ND1-OD2 2.84Å
175A67.6Low67.2Low13 Ų1375 Ų7511%0.10738%0.384CS..EExtended strand (participates in β ladder)trans-105.2115.5175.200000108.9I102 G194I102-A175 HydrophobicContact CD1-CB 4.3Å; I102-A175 HydrophobicContact CG2-CB 4.22Å; A175-G194 WeakPolarHBondContact O-CA 3.38Å
176G60.3Low64.5Low13 Ų1383.7 Ų83.713%0.13442%0.422CS..EExtended strand (participates in β ladder)trans-105.4156.3178.800000112.3D108 S109D108-G176 WeakPolarHBondContact CB-O 3.38Å; S109-G176 PolarHBondContact N-O 3.36Å; S109-G176 VanDerWaalsContact N-O 3.14Å; S109-G176 PolarHBondContact O-N 3.29Å
177I55.2Low62.1Low121 Ų12189.3 Ų89.362%0.62145%0.448SS*.EExtended strand (participates in β ladder)trans-105.7122.8177.1-58.1171.8000108.7
178R49.7Very low59.5Low201 Ų20186.8 Ų86.876%0.75845%0.448SS*.SBendtrans33.3110.8160.8-145.5179.1-173.6-160.3-1.2118.9
179G49.2Very low57.2Low84 Ų8489.4 Ų89.487%0.86646%0.46SS*.SBendtrans106.8-13.5155.400000116.8
180E48.7Very low55Low149 Ų14996.9 Ų96.970%0.69649%0.494SS*.  trans-98.7127.5176.4-128.7166.9-175.800109.9M182E180-M182 PolarHBondContact O-N 3.38Å
181A44.3Very low53.1Low86 Ų8699.7 Ų99.771%0.71150%0.504SS*.  trans-65.4103.3167.600000107.1R183A181-R183 PolarHBondContact O-N 2.91Å
182M49.7Very low51.1Low50 Ų50105.3 Ų105.325%0.24654%0.541CS..  trans-62.9103.8175.3-66.3-90-79.700106.9A111 H174 E180A111-M182 HydrophobicContact CB-CB 4Å; A111-M182 HydrophobicContact CB-CE 3.82Å; H174-M182 HydrophobicContact CB-CE 3.64Å; H174-M182 WeakPolarHBondContact O-CE 3.31Å; E180-M182 PolarHBondContact O-N 3.38Å
183R46.8Very low49.6Very low183 Ų183112.5 Ų112.569%0.69157%0.57SS**  trans-107.2136.6164.8-72.6-173.2169159.4-7.3106.3A181 H185A181-R183 PolarHBondContact O-N 2.91Å; R183-H185 HydrophobicContact CB-CB 4.42Å; R183-H185 WeakPolarHBondContact CB-CD2 3.24Å; R183-H185 WeakPolarHBondContact CD-CD2 3.44Å; R183-H185 VanDerWaalsContact CD-NE2 3.32Å; R183-H185 WeakPolarHBondContact CD-NE2 3.39Å; R183-H185 PolarHBondContact O-N 3.22Å
184F49.1Very low48.4Very low55 Ų55114 Ų11424%0.24159%0.586CS.*  trans-64.826.9170.2-63.2-81.9000113.1E83 A111 K113 H174 F186E83-F184 HydrophobicContact CB-CD2 4.03Å; E83-F184 HydrophobicContact CB-CE2 3.86Å; E83-F184 HydrophobicContact CG-CD2 4.09Å; E83-F184 HydrophobicContact CG-CE2 4.16Å; A111-F184 HydrophobicContact CB-CE1 4.04Å; A111-F184 HydrophobicContact CB-CE2 4.09Å; A111-F184 HydrophobicContact CB-CZ 3.57Å; K113-F184 HydrophobicContact CB-CD1 4.17Å; K113-F184 HydrophobicContact CB-CE1 3.49Å; K113-F184 VanDerWaalsContact CB-CE1 3.49Å; K113-F184 HydrophobicContact CB-CE2 4.45Å; K113-F184 HydrophobicContact CB-CZ 3.66Å; K113-F184 HydrophobicContact CD-CD1 4.19Å; K113-F184 HydrophobicContact CD-CE1 4.34Å; H174-F184 AromaticContact CD2-CE1 3.92Å; F184-F186 PolarHBondContact O-N 2.86Å
185H39.1Very low47.9Very low126 Ų126120.1 Ų120.158%0.58361%0.608SS**  trans-66.9100.9172.4-74.5-47.2000107.8R183R183-H185 HydrophobicContact CB-CB 4.42Å; R183-H185 WeakPolarHBondContact CB-CD2 3.24Å; R183-H185 WeakPolarHBondContact CD-CD2 3.44Å; R183-H185 VanDerWaalsContact CD-NE2 3.32Å; R183-H185 WeakPolarHBondContact CD-NE2 3.39Å; R183-H185 PolarHBondContact O-N 3.22Å
186F37.7Very low48Very low181 Ų181124 Ų12479%0.79463%0.627SS**  trans45108.8158-55.8-79.9000115F184 D188F184-F186 PolarHBondContact O-N 2.86Å; F186-D188 PolarHBondContact O-N 3.2Å
187M42.4Very low48.8Very low159 Ų159127.8 Ų127.878%0.78364%0.639SS**  trans-39.798165.2-59.7-106.373.700110.4
188D35.3Very low50.1Low130 Ų130125.4 Ų125.470%0.69564%0.638SS**  trans-98.4128.1163.2-160.43.4000106.4F186 Q190F186-D188 PolarHBondContact O-N 3.2Å; D188-Q190 PolarHBondContact O-N 3.1Å
189E41.3Very low51.9Low197 Ų197117.9 Ų117.992%0.92161%0.612SS**SBendtrans-69.124.8-168.3-67.2-175.213500113.7
190Q41.1Very low53.7Low163 Ų163118 Ų11876%0.76260%0.596SS**  trans-130.232.1-166.6-83.9-175.613.100115.6D188 P192D188-Q190 PolarHBondContact O-N 3.1Å; Q190-P192 WeakPolarHBondContact O-CD 3.35Å
191N42.1Very low55.7Low122 Ų122111.2 Ų111.265%0.65256%0.564SS**  trans-119.487.5168.8-144.8-7.3000114K193N191-K193 PolarHBondContact O-N 2.86Å
192P43.3Very low58Low123 Ų123111.3 Ų111.380%0.79956%0.557SS**THydrogen-bonded Turntrans-79.812.6-176.631.2-34.3000114.8Q190Q190-P192 WeakPolarHBondContact O-CD 3.35Å
193K48.6Very low60Low172 Ų172110.5 Ų110.575%0.74856%0.559SS**THydrogen-bonded Turntrans-114.9-8.1-173.7-66.8-175.6-178.8175.70115.5N191N191-K193 PolarHBondContact O-N 2.86Å
194G53.3Low62.2Low34 Ų34106.9 Ų106.935%0.35155%0.55SS..  trans-85.8143.4177.900000113.1A175 D196A175-G194 WeakPolarHBondContact O-CA 3.38Å; G194-D196 PolarHBondContact O-N 3Å
195R61.8Low64.4Low161 Ų161104.5 Ų104.561%0.60854%0.54SS*.  trans-92.388.2171.5-71-178.8-178.8171-0.1109.3N103N103-R195 PolarHBondContact O-NH1 2.74Å; N103-R195 VanDerWaalsContact O-NH1 3.12Å
196D70.1Confident67.1Low94 Ų9498.5 Ų98.550%0.50351%0.512SS..  trans-84.6130179.8-69.7-3.9000110.8V173 H174 G194V173-D196 WeakPolarHBondContact O-CA 3.4Å; H174-D196 IonicContact CE1-OD2 2.87Å; H174-D196 PolarHBondContact CE1-OD2 2.95Å; H174-D196 IonicContact CG-OD1 2.7Å; H174-D196 IonicContact ND1-OD1 3.65Å; H174-D196 PolarHBondContact ND1-OD1 3.18Å; H174-D196 IonicContact ND1-OD2 3Å; H174-D196 PolarHBondContact ND1-OD2 2.84Å; G194-D196 PolarHBondContact O-N 3Å
197K77Confident69.9Low92 Ų9289.9 Ų89.940%0.447%0.474SS..EExtended strand (participates in β ladder)trans-124127.6171.3-63-165.2-177.5-172.60108.9M1 G101 I102 S172 V173M1-K197 HydrophobicContact CE-CB 3.69Å; M1-K197 HydrophobicContact CE-CD 4.47Å; M1-K197 HydrophobicContact SD-CB 3.85Å; G101-K197 PolarHBondContact O-NZ 2.84Å; I102-K197 HydrophobicContact CD1-CD 4.49Å; I102-K197 HydrophobicContact CD1-CG 4.37Å; I102-K197 HydrophobicContact CG1-CD 3.92Å; I102-K197 HydrophobicContact CG1-CG 4.32Å; S172-K197 CarbonylContact C-O 3.55Å; S172-K197 WeakPolarHBondContact CA-O 3.28Å; V173-K197 PolarHBondContact N-O 2.97Å; V173-K197 PolarHBondContact O-N 2.85Å
198A82.5Confident72.4Confident71 Ų7182.3 Ų82.359%0.58744%0.437SS*.EExtended strand (participates in β ladder)trans-125.1143.4171.900000109.9L171L171-A198 CarbonylContact O-C 3.54Å; L171-A198 VanDerWaalsContact O-CA 3.26Å; L171-A198 WeakPolarHBondContact O-CA 3.33Å
199I86.3Confident75.3Confident44 Ų4476.2 Ų76.223%0.22640%0.404CS..EExtended strand (participates in β ladder)trans-123.5139.2165.552.7169.6000108.8M1 F2 L25 S170 L171M1-I199 HydrophobicContact CB-CD1 3.7Å; M1-I199 HydrophobicContact CB-CG1 4.15Å; M1-I199 HydrophobicContact CE-CB 4.39Å; M1-I199 HydrophobicContact CE-CG1 4.25Å; M1-I199 HydrophobicContact CE-CG2 3.53Å; M1-I199 HydrophobicContact SD-CG1 4.43Å; F2-I199 HydrophobicContact CB-CD1 3.88Å; L25-I199 HydrophobicContact CD1-CD1 4.16Å; S170-I199 CarbonylContact C-O 3.58Å; S170-I199 WeakPolarHBondContact CA-O 3.19Å; L171-I199 HydrophobicContact CB-CD1 4.28Å; L171-I199 HydrophobicContact CB-CG1 3.76Å; L171-I199 HydrophobicContact CD1-CD1 3.77Å; L171-I199 HydrophobicContact CD1-CG1 4.15Å; L171-I199 HydrophobicContact CG-CD1 4.47Å; L171-I199 HydrophobicContact CG-CG1 4.33Å; L171-I199 PolarHBondContact N-O 2.99Å; L171-I199 PolarHBondContact O-N 2.9Å
200V88.1Confident77.8Confident87 Ų8766.8 Ų66.853%0.52736%0.36SS..EExtended strand (participates in β ladder)trans-121.3132.7174.7-172.80000107.2Q168 C169Q168-V200 HydrophobicContact CG-CG1 3.54Å; C169-V200 VanDerWaalsContact O-CA 3.31Å; C169-V200 WeakPolarHBondContact O-CA 3.29Å; C169-V200 WeakPolarHBondContact O-CG1 3.47Å
201F90.8Very high80.3Confident6 Ų660.1 Ų60.13%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-134.2152.1-17864.1-97.1000110.6F2 L25 F116 T165 Q168 C169 L171 T205F2-F201 HydrophobicContact CD2-CD1 4.32Å; F2-F201 AromaticContact CD2-CE1 3.99Å; F2-F201 HydrophobicContact CD2-CE1 3.99Å; F2-F201 HydrophobicContact CD2-CZ 4.28Å; F2-F201 HydrophobicContact CE2-CE1 4.14Å; F2-F201 HydrophobicContact CE2-CE2 4.28Å; F2-F201 AromaticContact CE2-CZ 3.96Å; F2-F201 HydrophobicContact CE2-CZ 3.96Å; L25-F201 HydrophobicContact CD1-CB 4.22Å; L25-F201 HydrophobicContact CD2-CB 3.7Å; L25-F201 HydrophobicContact CD2-CD1 4.05Å; L25-F201 HydrophobicContact CD2-CD2 4.1Å; L25-F201 HydrophobicContact CD2-CG 3.7Å; F116-F201 HydrophobicContact CD1-CE1 4.31Å; F116-F201 AromaticContact CD1-CZ 3.63Å; F116-F201 HydrophobicContact CD1-CZ 3.63Å; F116-F201 AromaticContact CE1-CE1 4Å; F116-F201 HydrophobicContact CE1-CE1 4Å; F116-F201 AromaticContact CE1-CZ 3.58Å; F116-F201 HydrophobicContact CE1-CZ 3.58Å; T165-F201 HydrophobicContact CG2-CE2 3.89Å; T165-F201 HydrophobicContact CG2-CZ 4.39Å; Q168-F201 WeakPolarHBondContact CA-O 3.25Å; Q168-F201 WeakPolarHBondContact CG-O 3.4Å; C169-F201 HydrophobicContact CB-CD1 4.39Å; C169-F201 HydrophobicContact CB-CD2 4.27Å; C169-F201 HydrophobicContact CB-CE1 3.79Å; C169-F201 HydrophobicContact CB-CE2 3.68Å; C169-F201 HydrophobicContact CB-CZ 3.42Å; C169-F201 VanDerWaalsContact CB-CZ 3.42Å; C169-F201 PolarHBondContact N-O 3.06Å; C169-F201 PolarHBondContact O-N 2.82Å; L171-F201 HydrophobicContact CD1-CE1 3.86Å; L171-F201 HydrophobicContact CG-CE1 3.95Å; F201-T205 HydrophobicContact CD2-CG2 3.73Å; F201-T205 WeakPolarHBondContact CD2-OG1 3.38Å; F201-T205 HydrophobicContact CE2-CG2 3.88Å
202P91.8Very high82.8Confident87 Ų8755 Ų5557%0.56530%0.302SS*.  trans-70.5166.9-166.928.8-35.6000113T205P202-T205 PolarHBondContact O-OG1 3.21Å
203A91.8Very high85.2Confident34 Ų3450.6 Ų50.628%0.28127%0.271SS..THydrogen-bonded Turntrans-57.5159.6168.100000111.7R167 T205R167-A203 WeakPolarHBondContact O-CA 3.32Å; A203-T205 PolarHBondContact O-N 3.01Å
204H93.3Very high87.4Confident107 Ų10742.5 Ų42.550%0.49524%0.236SC..THydrogen-bonded Turntrans63.820.7178.1-47.3-59000114.6R164 T165R164-H204 VanDerWaalsContact CZ-O 3.28Å; R164-H204 PolarHBondContact NE-O 2.95Å; R164-H204 PolarHBondContact NH2-O 3.47Å; T165-H204 WeakPolarHBondContact O-CA 3.4Å; T165-H204 PolarHBondContact O-N 3.28Å; T165-H204 PolarHBondContact OG1-N 3.24Å
205T95.5Very high89.2Confident5 Ų543.5 Ų43.53%0.03123%0.231CC..  trans-77.3128.4174.7-62.90000109.8F2 L25 A28 R164 T165 F201 P202 A203F2-T205 HydrophobicContact CE2-CG2 4.28Å; F2-T205 HydrophobicContact CZ-CG2 4.21Å; L25-T205 HydrophobicContact CD2-CG2 3.95Å; A28-T205 HydrophobicContact CB-CG2 3.69Å; R164-T205 WeakPolarHBondContact CA-O 3.31Å; T165-T205 PolarHBondContact N-O 3.43Å; T165-T205 PolarHBondContact OG1-N 2.89Å; T165-T205 VanDerWaalsContact OG1-N 3.15Å; F201-T205 HydrophobicContact CD2-CG2 3.73Å; F201-T205 WeakPolarHBondContact CD2-OG1 3.38Å; F201-T205 HydrophobicContact CE2-CG2 3.88Å; P202-T205 PolarHBondContact O-OG1 3.21Å; A203-T205 PolarHBondContact O-N 3.01Å
206T96.2Very high90.7Very high0 Ų036 Ų360%020%0.202CC..EExtended strand (participates in β ladder)trans-72.6127.6174.7-46.40000110.6V22 A28 I163 A208V22-T206 HydrophobicContact CG2-CG2 3.94Å; V22-T206 WeakPolarHBondContact CG2-O 3.37Å; A28-T206 WeakPolarHBondContact CB-O 3.29Å; A28-T206 WeakPolarHBondContact O-CB 3.48Å; A28-T206 PolarHBondContact O-OG1 2.88Å; I163-T206 CarbonylContact O-C 3.53Å; I163-T206 WeakPolarHBondContact O-CA 3.34Å; T206-A208 WeakPolarHBondContact CG2-O 3.4Å
207I95.1Very high91.7Very high0 Ų034.9 Ų34.90%019%0.192CC..EExtended strand (participates in β ladder)trans-108.9-27.2-179.657.8169.3000112.8F2 T6 F9 V22 F116 V119 I163 T165F2-I207 HydrophobicContact CE2-CG2 4.2Å; F2-I207 HydrophobicContact CZ-CG2 4.32Å; T6-I207 WeakPolarHBondContact CB-O 3.09Å; T6-I207 HydrophobicContact CG2-CB 4.05Å; T6-I207 HydrophobicContact CG2-CG2 4.39Å; T6-I207 WeakPolarHBondContact CG2-O 3.33Å; F9-I207 HydrophobicContact CD1-CD1 3.94Å; F9-I207 HydrophobicContact CD1-CG1 4.45Å; F9-I207 HydrophobicContact CD2-CD1 3.95Å; F9-I207 HydrophobicContact CE1-CD1 3.83Å; F9-I207 HydrophobicContact CE1-CG1 4.33Å; F9-I207 HydrophobicContact CE2-CD1 3.82Å; F9-I207 HydrophobicContact CG-CD1 4.02Å; F9-I207 HydrophobicContact CZ-CD1 3.78Å; V22-I207 PolarHBondContact N-O 3.46Å; F116-I207 HydrophobicContact CB-CD1 4.41Å; F116-I207 HydrophobicContact CD1-CG2 4.35Å; F116-I207 HydrophobicContact CD2-CD1 3.82Å; F116-I207 HydrophobicContact CE1-CG2 4.22Å; F116-I207 HydrophobicContact CE2-CD1 4.29Å; F116-I207 HydrophobicContact CG-CD1 4.17Å; F116-I207 HydrophobicContact CZ-CG2 4.36Å; V119-I207 HydrophobicContact CB-CD1 4.48Å; V119-I207 HydrophobicContact CG1-CD1 3.75Å; I163-I207 HydrophobicContact CB-CG1 4.21Å; I163-I207 HydrophobicContact CG2-CD1 3.96Å; I163-I207 HydrophobicContact CG2-CG1 3.87Å; I163-I207 WeakPolarHBondContact O-CG1 3.36Å; I163-I207 PolarHBondContact O-N 2.91Å; T165-I207 HydrophobicContact CG2-CG2 3.92Å
208A95.4Very high92.4Very high0 Ų034.5 Ų34.50%019%0.194CC..EExtended strand (participates in β ladder)trans-150157.1176.100000110.5F9 V10 V20 I163 T206F9-A208 HydrophobicContact CD1-CB 4.28Å; F9-A208 HydrophobicContact CE1-CB 4.17Å; V10-A208 HydrophobicContact CG2-CB 3.62Å; V20-A208 VanDerWaalsContact O-CA 3.29Å; V20-A208 WeakPolarHBondContact O-CA 3.29Å; I163-A208 HydrophobicContact CB-CB 4.32Å; I163-A208 HydrophobicContact CD1-CB 4.23Å; I163-A208 PolarHBondContact N-O 3.35Å; T206-A208 WeakPolarHBondContact CG2-O 3.4Å
209F95.9Very high92.7Very high1 Ų135.4 Ų35.40%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-146.8161178.865.5-81.4000111.3V20 V22 Y31 F51 V159 E161 V211V20-F209 HydrophobicContact CB-CD1 4.34Å; V20-F209 HydrophobicContact CB-CD2 4.43Å; V20-F209 HydrophobicContact CB-CE1 3.94Å; V20-F209 HydrophobicContact CB-CE2 4.03Å; V20-F209 HydrophobicContact CB-CZ 3.77Å; V20-F209 HydrophobicContact CG1-CE1 3.79Å; V20-F209 HydrophobicContact CG1-CE2 4.23Å; V20-F209 HydrophobicContact CG1-CZ 3.55Å; V20-F209 HydrophobicContact CG2-CE2 4.49Å; V20-F209 PolarHBondContact N-O 3.45Å; V20-F209 WeakPolarHBondContact O-CD1 3.43Å; V20-F209 PolarHBondContact O-N 2.85Å; V22-F209 HydrophobicContact CG2-CD1 3.81Å; V22-F209 HydrophobicContact CG2-CE1 4.28Å; Y31-F209 AromaticContact CD1-CD1 3.83Å; Y31-F209 HydrophobicContact CD1-CD1 3.83Å; Y31-F209 HydrophobicContact CD1-CD2 4.09Å; Y31-F209 AromaticContact CD1-CE1 3.66Å; Y31-F209 HydrophobicContact CD1-CE1 3.66Å; Y31-F209 AromaticContact CD1-CE2 3.94Å; Y31-F209 HydrophobicContact CD1-CE2 3.94Å; Y31-F209 HydrophobicContact CD1-CG 4.04Å; Y31-F209 AromaticContact CD1-CZ 3.72Å; Y31-F209 HydrophobicContact CD1-CZ 3.72Å; Y31-F209 HydrophobicContact CD2-CE1 4.49Å; Y31-F209 HydrophobicContact CE1-CD1 4.43Å; Y31-F209 AromaticContact CE1-CE1 3.8Å; Y31-F209 HydrophobicContact CE1-CE1 3.8Å; Y31-F209 HydrophobicContact CE1-CE2 4.19Å; Y31-F209 AromaticContact CE1-CZ 3.66Å; Y31-F209 HydrophobicContact CE1-CZ 3.66Å; Y31-F209 AromaticContact CG-CD1 3.88Å; Y31-F209 HydrophobicContact CG-CD1 3.88Å; Y31-F209 HydrophobicContact CG-CE1 4.03Å; Y31-F209 HydrophobicContact CG-CG 4.26Å; F51-F209 HydrophobicContact CB-CE2 4.49Å; F51-F209 HydrophobicContact CB-CZ 4Å; F51-F209 HydrophobicContact CD1-CE2 4.46Å; F51-F209 HydrophobicContact CG-CE2 4.35Å; F51-F209 HydrophobicContact CG-CZ 4.19Å; V159-F209 HydrophobicContact CG1-CB 4.17Å; V159-F209 HydrophobicContact CG2-CD2 4.27Å; E161-F209 CarbonylContact O-C 3.6Å; E161-F209 VanDerWaalsContact O-CA 3.23Å; E161-F209 WeakPolarHBondContact O-CA 3.47Å; E161-F209 WeakPolarHBondContact O-CB 3.43Å; F209-V211 HydrophobicContact CD2-CG1 3.67Å; F209-V211 HydrophobicContact CE2-CG1 3.72Å
210S94.1Very high92.8Very high0 Ų033.4 Ų33.40%018%0.179CC..EExtended strand (participates in β ladder)trans-127.3159168.478.60000110.8R18 V159 M160 E161R18-S210 WeakPolarHBondContact O-CB 3.42Å; V159-S210 CarbonylContact C-O 3.53Å; V159-S210 WeakPolarHBondContact CA-O 3.33Å; M160-S210 PolarHBondContact N-O 2.83Å; E161-S210 VanDerWaalsContact CB-OG 3.24Å; E161-S210 WeakPolarHBondContact CB-OG 3.05Å; E161-S210 VanDerWaalsContact CD-OG 3.24Å; E161-S210 VanDerWaalsContact CG-OG 3.31Å; E161-S210 WeakPolarHBondContact CG-OG 3.19Å; E161-S210 PolarHBondContact N-O 2.98Å; E161-S210 PolarHBondContact O-N 2.98Å; E161-S210 WeakPolarHBondContact OE2-CB 3.28Å; E161-S210 PolarHBondContact OE2-OG 3.46Å
211V94.3Very high93Very high22 Ų2230.7 Ų30.713%0.13317%0.166CC..EExtended strand (participates in β ladder)trans-136.9156.9-172.9-54.70000112.3V37 F51 C157 V158 V159 F209V37-V211 HydrophobicContact CG2-CG1 3.72Å; F51-V211 HydrophobicContact CE1-CG2 3.8Å; F51-V211 HydrophobicContact CZ-CG2 4.14Å; C157-V211 HydrophobicContact CB-CB 3.85Å; C157-V211 HydrophobicContact CB-CG1 4.38Å; C157-V211 HydrophobicContact CB-CG2 3.95Å; V158-V211 CarbonylContact O-C 3.46Å; V158-V211 WeakPolarHBondContact O-CA 3.38Å; V158-V211 WeakPolarHBondContact O-CB 3.26Å; V159-V211 HydrophobicContact CG2-CG1 4.27Å; F209-V211 HydrophobicContact CD2-CG1 3.67Å; F209-V211 HydrophobicContact CE2-CG1 3.72Å
212F93.5Very high93.1Very high14 Ų1430.7 Ų30.76%0.06117%0.166CC..EExtended strand (participates in β ladder)trans-111.9138.1158.5-70.2-18.1000110V126 C157 V158 M160 L224 V226V126-F212 HydrophobicContact CG1-CE2 4.1Å; V126-F212 HydrophobicContact CG2-CE2 3.95Å; V126-F212 HydrophobicContact CG2-CZ 4.43Å; C157-F212 CarbonylContact C-O 3.59Å; C157-F212 WeakPolarHBondContact CA-O 3.43Å; C157-F212 WeakPolarHBondContact CB-O 3.42Å; V158-F212 PolarHBondContact N-O 3.01Å; V158-F212 PolarHBondContact O-N 2.79Å; M160-F212 HydrophobicContact CE-CD2 3.72Å; M160-F212 HydrophobicContact CE-CE2 3.86Å; M160-F212 HydrophobicContact CG-CB 3.85Å; M160-F212 HydrophobicContact CG-CD1 3.99Å; M160-F212 HydrophobicContact CG-CD2 3.5Å; M160-F212 HydrophobicContact CG-CE1 4.42Å; M160-F212 HydrophobicContact CG-CE2 3.98Å; M160-F212 HydrophobicContact CG-CG 3.49Å; M160-F212 VanDerWaalsContact CG-CG 3.49Å; M160-F212 HydrophobicContact CG-CZ 4.4Å; M160-F212 HydrophobicContact SD-CB 4.24Å; M160-F212 HydrophobicContact SD-CD2 3.77Å; M160-F212 HydrophobicContact SD-CE2 4.42Å; M160-F212 HydrophobicContact SD-CG 4.17Å; F212-L224 HydrophobicContact CB-CD2 4.14Å; F212-L224 HydrophobicContact CD2-CB 4.35Å; F212-V226 HydrophobicContact CD2-CG2 4.17Å; F212-V226 HydrophobicContact CE2-CB 4.29Å; F212-V226 HydrophobicContact CE2-CG1 4.09Å; F212-V226 HydrophobicContact CE2-CG2 3.91Å; F212-V226 HydrophobicContact CZ-CB 4.38Å; F212-V226 HydrophobicContact CZ-CG1 3.89Å; F212-V226 HydrophobicContact CZ-CG2 4.48Å
213E93.9Very high93Very high32 Ų3230.1 Ų30.115%0.1516%0.158CC..EExtended strand (participates in β ladder)trans-75.1145.5174.5-52.8-171.3168.700110K39 V155 C225 G232K39-E213 VanDerWaalsContact CD-OE1 3.25Å; K39-E213 WeakPolarHBondContact CD-OE1 3.43Å; K39-E213 WeakPolarHBondContact CE-OE1 3.41Å; K39-E213 IonicContact NZ-OE1 3.04Å; K39-E213 PolarHBondContact NZ-OE1 2.54Å; V155-E213 HydrophobicContact CG1-CB 3.95Å; V155-E213 HydrophobicContact CG1-CG 4.23Å; E213-C225 HydrophobicContact CB-CB 4.04Å; E213-C225 WeakPolarHBondContact O-CB 3.36Å; E213-C225 PolarHBondContact O-N 2.84Å; E213-G232 PolarHBondContact OE2-N 2.79Å
214L94Very high93Very high1 Ų129.1 Ų29.11%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-93.6134.7173.3-68.4170.3000109.9L36 I61 L156 V158 I216 F222 L224 G232 G233L36-L214 HydrophobicContact CD2-CD1 4Å; I61-L214 HydrophobicContact CD1-CD1 4.24Å; L156-L214 HydrophobicContact CB-CB 4.49Å; L156-L214 HydrophobicContact CB-CD1 4.08Å; L156-L214 PolarHBondContact O-N 3.35Å; V158-L214 HydrophobicContact CG2-CD1 3.83Å; V158-L214 HydrophobicContact CG2-CD2 3.82Å; V158-L214 HydrophobicContact CG2-CG 3.88Å; L214-I216 HydrophobicContact CB-CG1 4.37Å; L214-F222 HydrophobicContact CD2-CD2 3.76Å; L214-F222 HydrophobicContact CD2-CE2 4.09Å; L214-L224 HydrophobicContact CD2-CD2 3.52Å; L214-L224 HydrophobicContact CD2-CG 4.39Å; L214-G232 CarbonylContact O-C 3.5Å; L214-G232 WeakPolarHBondContact O-CA 3.12Å; L214-G233 PolarHBondContact O-N 2.85Å
215F92.5Very high92.8Very high56 Ų5624.7 Ų24.725%0.24613%0.129CC..EExtended strand (participates in β ladder)trans-108.6120.6164.4-170.6-90000109.2Y217 F222 D223 G233 E235F215-Y217 HydrophobicContact CD1-CD1 4.21Å; F215-Y217 HydrophobicContact CD1-CD2 4.37Å; F215-Y217 AromaticContact CD1-CE1 3.84Å; F215-Y217 HydrophobicContact CD1-CE1 3.84Å; F215-Y217 HydrophobicContact CD1-CE2 4.02Å; F215-Y217 HydrophobicContact CD1-CG 4.46Å; F215-Y217 AromaticContact CD1-CZ 3.73Å; F215-Y217 AromaticContact CE1-CD1 3.74Å; F215-Y217 HydrophobicContact CE1-CD1 3.74Å; F215-Y217 AromaticContact CE1-CE1 3.49Å; F215-Y217 HydrophobicContact CE1-CE1 3.49Å; F215-Y217 VanDerWaalsContact CE1-CE1 3.49Å; F215-Y217 HydrophobicContact CE1-CE2 4.48Å; F215-Y217 HydrophobicContact CE1-CG 4.33Å; F215-Y217 AromaticContact CE1-CZ 3.9Å; F215-F222 CarbonylContact O-C 3.51Å; F215-F222 WeakPolarHBondContact O-CA 3.45Å; F215-F222 VanDerWaalsContact O-CB 3.29Å; F215-F222 WeakPolarHBondContact O-CB 3.33Å; F215-D223 PolarHBondContact N-O 3.11Å; F215-D223 PolarHBondContact O-N 3.41Å; F215-G233 WeakPolarHBondContact CA-O 3.46Å; F215-E235 HydrophobicContact CE1-CB 4.27Å; F215-E235 HydrophobicContact CZ-CB 4.21Å
216I92.9Very high92.3Very high2 Ų227.7 Ų27.71%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-112.8119.4-172-53.3176.6000109.2I138 F140 I145 L156 L214 F222 G233 F234 E235I138-I216 HydrophobicContact CD1-CB 4.33Å; I138-I216 HydrophobicContact CD1-CD1 3.44Å; I138-I216 VanDerWaalsContact CD1-CD1 3.44Å; I138-I216 HydrophobicContact CD1-CG1 3.53Å; I138-I216 HydrophobicContact CD1-CG2 3.96Å; F140-I216 HydrophobicContact CE1-CG2 3.93Å; F140-I216 HydrophobicContact CZ-CG2 3.93Å; I145-I216 HydrophobicContact CD1-CD1 4.4Å; L156-I216 HydrophobicContact CD1-CD1 4.2Å; L214-I216 HydrophobicContact CB-CG1 4.37Å; I216-F222 HydrophobicContact CG1-CB 4.28Å; I216-G233 PolarHBondContact N-O 3.4Å; I216-F234 HydrophobicContact CB-CD1 3.88Å; I216-F234 HydrophobicContact CB-CE1 4.09Å; I216-F234 HydrophobicContact CD1-CD1 4.16Å; I216-F234 HydrophobicContact CD1-CE1 3.51Å; I216-F234 HydrophobicContact CD1-CZ 3.75Å; I216-F234 HydrophobicContact CG1-CE1 4.31Å; I216-F234 HydrophobicContact CG2-CD1 4.17Å; I216-F234 HydrophobicContact CG2-CE1 4.24Å; I216-E235 PolarHBondContact O-N 2.85Å
217Y91.7Very high91.4Very high72 Ų7231.8 Ų31.828%0.28217%0.172SC..  trans-81.1158.9178.4-62.3-82.5000111.7F140 F215 D219 G220 A221 D223 E235F140-Y217 WeakPolarHBondContact CZ-O 3.47Å; F215-Y217 HydrophobicContact CD1-CD1 4.21Å; F215-Y217 HydrophobicContact CD1-CD2 4.37Å; F215-Y217 AromaticContact CD1-CE1 3.84Å; F215-Y217 HydrophobicContact CD1-CE1 3.84Å; F215-Y217 HydrophobicContact CD1-CE2 4.02Å; F215-Y217 HydrophobicContact CD1-CG 4.46Å; F215-Y217 AromaticContact CD1-CZ 3.73Å; F215-Y217 AromaticContact CE1-CD1 3.74Å; F215-Y217 HydrophobicContact CE1-CD1 3.74Å; F215-Y217 AromaticContact CE1-CE1 3.49Å; F215-Y217 HydrophobicContact CE1-CE1 3.49Å; F215-Y217 VanDerWaalsContact CE1-CE1 3.49Å; F215-Y217 HydrophobicContact CE1-CE2 4.48Å; F215-Y217 HydrophobicContact CE1-CG 4.33Å; F215-Y217 AromaticContact CE1-CZ 3.9Å; Y217-D219 WeakPolarHBondContact CB-OD1 3.41Å; Y217-D219 PolarHBondContact O-N 3Å; Y217-G220 PolarHBondContact O-N 3Å; Y217-G220 VanDerWaalsContact O-N 3.1Å; Y217-A221 WeakPolarHBondContact CB-O 3.23Å; Y217-A221 HydrophobicContact CD2-CB 3.95Å; Y217-A221 WeakPolarHBondContact CD2-O 3.31Å; Y217-A221 PolarHBondContact N-O 3.12Å; Y217-D223 HydrophobicContact CE2-CB 4.5Å; Y217-D223 VanDerWaalsContact CE2-OD2 3.24Å; Y217-D223 WeakPolarHBondContact CE2-OD2 3.36Å; Y217-D223 PolarHBondContact OH-OD2 3.41Å; Y217-E235 VanDerWaalsContact CA-OE2 3.31Å; Y217-E235 WeakPolarHBondContact CA-OE2 3.47Å; Y217-E235 WeakPolarHBondContact CB-OE2 3.5Å
218L90.4Very high90.1Very high83 Ų8337.9 Ų37.944%0.43521%0.214SC..THydrogen-bonded Turntrans-61.9-27.8-178.7-67.6173000113.2G220 E235 E237L218-G220 VanDerWaalsContact C-N 3.26Å; L218-G220 PolarHBondContact O-N 2.96Å; L218-E235 HydrophobicContact CD1-CG 4.2Å; L218-E235 HydrophobicContact CG-CB 4.1Å; L218-E235 HydrophobicContact CG-CG 3.9Å; L218-E235 PolarHBondContact N-OE2 3.2Å; L218-E237 HydrophobicContact CD1-CG 3.76Å; L218-E237 HydrophobicContact CD2-CG 4.15Å
219D88.6Confident88.9Confident90 Ų9043.6 Ų43.648%0.48125%0.249SC..THydrogen-bonded Turntrans-84.10.1-18084.7-40.8000113.5K137 Y217 A221K137-D219 PolarHBondContact NZ-O 3.29Å; K137-D219 IonicContact NZ-OD2 3.04Å; K137-D219 PolarHBondContact NZ-OD2 3.14Å; Y217-D219 WeakPolarHBondContact CB-OD1 3.41Å; Y217-D219 PolarHBondContact O-N 3Å; D219-A221 VanDerWaalsContact OD1-CB 3.22Å; D219-A221 WeakPolarHBondContact OD1-CB 3.46Å; D219-A221 PolarHBondContact OD1-N 3.24Å
220G89.1Confident88Confident2 Ų245.6 Ų45.62%0.02126%0.263CS..SBendtrans87.4-3.6-179.700000114.5K137 I138 Y217 L218K137-G220 CarbonylContact C-O 3.58Å; K137-G220 VanDerWaalsContact CA-O 3.27Å; K137-G220 WeakPolarHBondContact CA-O 3.38Å; I138-G220 PolarHBondContact N-O 3.02Å; Y217-G220 PolarHBondContact O-N 3Å; Y217-G220 VanDerWaalsContact O-N 3.1Å; L218-G220 VanDerWaalsContact C-N 3.26Å; L218-G220 PolarHBondContact O-N 2.96Å
221A91.7Very high87.5Confident31 Ų3153.7 Ų53.726%0.25630%0.299SS..  trans-63.5159.4164.800000109.8Y217 D219Y217-A221 WeakPolarHBondContact CB-O 3.23Å; Y217-A221 HydrophobicContact CD2-CB 3.95Å; Y217-A221 WeakPolarHBondContact CD2-O 3.31Å; Y217-A221 PolarHBondContact N-O 3.12Å; D219-A221 VanDerWaalsContact OD1-CB 3.22Å; D219-A221 WeakPolarHBondContact OD1-CB 3.46Å; D219-A221 PolarHBondContact OD1-N 3.24Å
222F92.9Very high87.2Confident6 Ų653 Ų533%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-155.9154177.769-77.7000111.9L58 L62 I133 I138 L214 F215 I216L58-F222 HydrophobicContact CD1-CE2 4.29Å; L62-F222 HydrophobicContact CD1-CZ 4.47Å; L62-F222 HydrophobicContact CD2-CD1 4.28Å; L62-F222 HydrophobicContact CD2-CE1 3.29Å; L62-F222 HydrophobicContact CD2-CE2 4.44Å; L62-F222 HydrophobicContact CD2-CZ 3.37Å; I133-F222 HydrophobicContact CB-CE1 4.38Å; I133-F222 HydrophobicContact CB-CE2 3.92Å; I133-F222 HydrophobicContact CB-CZ 3.55Å; I133-F222 HydrophobicContact CD1-CD2 4.42Å; I133-F222 HydrophobicContact CD1-CE2 3.81Å; I133-F222 HydrophobicContact CD1-CZ 4.33Å; I133-F222 HydrophobicContact CG1-CE2 4.44Å; I133-F222 HydrophobicContact CG1-CZ 4.48Å; I133-F222 HydrophobicContact CG2-CE2 4.1Å; I133-F222 HydrophobicContact CG2-CZ 3.8Å; I138-F222 HydrophobicContact CD1-CB 3.74Å; I138-F222 HydrophobicContact CD1-CD1 3.9Å; I138-F222 HydrophobicContact CD1-CD2 4.26Å; I138-F222 HydrophobicContact CD1-CG 3.69Å; I138-F222 HydrophobicContact CG1-CB 4.33Å; I138-F222 HydrophobicContact CG1-CD1 3.6Å; I138-F222 HydrophobicContact CG1-CE1 4.05Å; I138-F222 HydrophobicContact CG1-CG 3.95Å; L214-F222 HydrophobicContact CD2-CD2 3.76Å; L214-F222 HydrophobicContact CD2-CE2 4.09Å; F215-F222 CarbonylContact O-C 3.51Å; F215-F222 WeakPolarHBondContact O-CA 3.45Å; F215-F222 VanDerWaalsContact O-CB 3.29Å; F215-F222 WeakPolarHBondContact O-CB 3.33Å; I216-F222 HydrophobicContact CG1-CB 4.28Å
223D90.4Very high87.1Confident75 Ų7552.9 Ų52.940%0.40130%0.298SS..EExtended strand (participates in β ladder)trans-121.6149.8177.7-70.6-36.9000111.8F215 Y217F215-D223 PolarHBondContact N-O 3.11Å; F215-D223 PolarHBondContact O-N 3.41Å; Y217-D223 HydrophobicContact CE2-CB 4.5Å; Y217-D223 VanDerWaalsContact CE2-OD2 3.24Å; Y217-D223 WeakPolarHBondContact CE2-OD2 3.36Å; Y217-D223 PolarHBondContact OH-OD2 3.41Å
224L91.3Very high86.9Confident13 Ų1353 Ų537%0.06830%0.299CS..EExtended strand (participates in β ladder)trans-88.2123.2166.1-69.8168.5000109.6L129 L130 I133 V158 F212 L214 V226L129-L224 HydrophobicContact CD2-CD1 3.55Å; L129-L224 HydrophobicContact CG-CD1 4.05Å; L130-L224 HydrophobicContact CD2-CB 4.22Å; L130-L224 HydrophobicContact CD2-CD1 4.06Å; I133-L224 HydrophobicContact CD1-CD1 3.62Å; I133-L224 HydrophobicContact CD1-CG 3.7Å; V158-L224 HydrophobicContact CB-CD2 4.36Å; V158-L224 HydrophobicContact CG2-CD2 4.05Å; F212-L224 HydrophobicContact CB-CD2 4.14Å; F212-L224 HydrophobicContact CD2-CB 4.35Å; L214-L224 HydrophobicContact CD2-CD2 3.52Å; L214-L224 HydrophobicContact CD2-CG 4.39Å; L224-V226 VanDerWaalsContact C-N 3.34Å; L224-V226 HydrophobicContact CB-CG2 4.41Å; L224-V226 PolarHBondContact O-N 3.47Å
225C90Very high86.6Confident13 Ų1356.7 Ų56.79%0.08832%0.316CS..EExtended strand (participates in β ladder)trans-75.684.4173.7-67.80000110.1E213 S230 K231E213-C225 HydrophobicContact CB-CB 4.04Å; E213-C225 WeakPolarHBondContact O-CB 3.36Å; E213-C225 PolarHBondContact O-N 2.84Å; C225-S230 WeakPolarHBondContact CA-OG 3.48Å; C225-S230 WeakPolarHBondContact CB-OG 3.35Å; C225-K231 VanDerWaalsContact SG-C 3.58Å
226V84.1Confident86.1Confident69 Ų6961.9 Ų61.942%0.41833%0.334SS..  trans-73-29.1-179.1-176.60000112V126 F212 L224V126-V226 HydrophobicContact CG1-CG2 4.4Å; F212-V226 HydrophobicContact CD2-CG2 4.17Å; F212-V226 HydrophobicContact CE2-CB 4.29Å; F212-V226 HydrophobicContact CE2-CG1 4.09Å; F212-V226 HydrophobicContact CE2-CG2 3.91Å; F212-V226 HydrophobicContact CZ-CB 4.38Å; F212-V226 HydrophobicContact CZ-CG1 3.89Å; F212-V226 HydrophobicContact CZ-CG2 4.48Å; L224-V226 VanDerWaalsContact C-N 3.34Å; L224-V226 HydrophobicContact CB-CG2 4.41Å; L224-V226 PolarHBondContact O-N 3.47Å
227T77.7Confident84.4Confident86 Ų8669.6 Ų69.653%0.52837%0.37SS..SBendtrans-94.3156.7-177.875.40000111.9V229 S230T227-V229 PolarHBondContact O-N 3.25Å; T227-S230 PolarHBondContact N-OG 3.34Å; T227-S230 PolarHBondContact O-OG 2.87Å; T227-S230 PolarHBondContact OG1-N 3.4Å; T227-S230 PolarHBondContact OG1-OG 3Å
228S66.9Low82.4Confident127 Ų12771.9 Ų71.989%0.88838%0.383SS*.SBendtrans-68.1-18.1174.5540000114
229V71.8Confident80.2Confident121 Ų12172.7 Ų72.773%0.73339%0.391SS*.SBendtrans-86.5-34.7-178.2-171.90000111.3T227T227-V229 PolarHBondContact O-N 3.25Å
230S77Confident77.9Confident43 Ų4372.3 Ų72.330%0.30140%0.401SS..  trans-67130.5175.946.80000111C225 T227C225-S230 WeakPolarHBondContact CA-OG 3.48Å; C225-S230 WeakPolarHBondContact CB-OG 3.35Å; T227-S230 PolarHBondContact N-OG 3.34Å; T227-S230 PolarHBondContact O-OG 2.87Å; T227-S230 PolarHBondContact OG1-N 3.4Å; T227-S230 PolarHBondContact OG1-OG 3Å
231K82.6Confident75.8Confident170 Ų17077.1 Ų77.174%0.73943%0.43SS*.  trans-111.3131.2178-66.2-179.1-179.1175.10109.3C225C225-K231 VanDerWaalsContact SG-C 3.58Å
232G88.5Confident73.5Confident7 Ų781.7 Ų81.77%0.07244%0.444CS..  trans-76.8177.2173.300000113.1E213 L214E213-G232 PolarHBondContact OE2-N 2.79Å; L214-G232 CarbonylContact O-C 3.5Å; L214-G232 WeakPolarHBondContact O-CA 3.12Å
233G91.3Very high71.2Confident11 Ų1182.4 Ų82.411%0.11345%0.451CS..EExtended strand (participates in β ladder)trans139.4-154.9-179.600000111.6L214 F215 I216L214-G233 PolarHBondContact O-N 2.85Å; F215-G233 WeakPolarHBondContact CA-O 3.46Å; I216-G233 PolarHBondContact N-O 3.4Å
234F89.8Confident69.2Low36 Ų3684.7 Ų84.716%0.15846%0.463CS..EExtended strand (participates in β ladder)trans-116.9138177-67-94.8000108.7I145 R149 L156 I216I145-F234 HydrophobicContact CG2-CE1 4.05Å; I145-F234 HydrophobicContact CG2-CZ 4.44Å; R149-F234 HydrophobicContact CB-CD1 4.01Å; R149-F234 HydrophobicContact CB-CD2 4.41Å; R149-F234 HydrophobicContact CB-CE1 3.81Å; R149-F234 HydrophobicContact CB-CE2 4.26Å; R149-F234 HydrophobicContact CB-CG 4.3Å; R149-F234 HydrophobicContact CB-CZ 3.95Å; R149-F234 HydrophobicContact CG-CB 4.48Å; R149-F234 HydrophobicContact CG-CD1 3.8Å; R149-F234 HydrophobicContact CG-CE1 4.12Å; R149-F234 HydrophobicContact CG-CG 4.03Å; L156-F234 HydrophobicContact CD1-CZ 4.1Å; I216-F234 HydrophobicContact CB-CD1 3.88Å; I216-F234 HydrophobicContact CB-CE1 4.09Å; I216-F234 HydrophobicContact CD1-CD1 4.16Å; I216-F234 HydrophobicContact CD1-CE1 3.51Å; I216-F234 HydrophobicContact CD1-CZ 3.75Å; I216-F234 HydrophobicContact CG1-CE1 4.31Å; I216-F234 HydrophobicContact CG2-CD1 4.17Å; I216-F234 HydrophobicContact CG2-CE1 4.24Å
235E87.9Confident67.1Low78 Ų7889.3 Ų89.336%0.36449%0.487SS..  trans-57.5141.4162.5-171.9173.1-144.400109.4F215 I216 Y217 L218F215-E235 HydrophobicContact CE1-CB 4.27Å; F215-E235 HydrophobicContact CZ-CB 4.21Å; I216-E235 PolarHBondContact O-N 2.85Å; Y217-E235 VanDerWaalsContact CA-OE2 3.31Å; Y217-E235 WeakPolarHBondContact CA-OE2 3.47Å; Y217-E235 WeakPolarHBondContact CB-OE2 3.5Å; L218-E235 HydrophobicContact CD1-CG 4.2Å; L218-E235 HydrophobicContact CG-CB 4.1Å; L218-E235 HydrophobicContact CG-CG 3.9Å; L218-E235 PolarHBondContact N-OE2 3.2Å
236R81.4Confident65.1Low165 Ų16593.8 Ų93.862%0.62350%0.503SS*.  trans-110.1134.3-179.9-67.6-174.3177.8177.92.4108.5E238R236-E238 PolarHBondContact O-N 2.91Å
237E58Low63.2Low164 Ų16499.7 Ų99.777%0.76652%0.517SS*.  trans-56.1124.2163.6-83.817814900108.9L218 T239L218-E237 HydrophobicContact CD1-CG 3.76Å; L218-E237 HydrophobicContact CD2-CG 4.15Å; E237-T239 PolarHBondContact O-N 2.79Å; E237-T239 VanDerWaalsContact O-N 3.12Å
238E49Very low61.8Low120 Ų120100.7 Ų100.756%0.56152%0.519SS*.  trans-66.7110.5178.7-62.3-175.7146.500108.8R236 A240 A243R236-E238 PolarHBondContact O-N 2.91Å; E238-A240 PolarHBondContact O-N 2.87Å; E238-A243 HydrophobicContact CB-CB 4.25Å; E238-A243 WeakPolarHBondContact OE2-CB 3.24Å
239T44Very low60.7Low100 Ų100100.9 Ų100.961%0.61350%0.5SS*.  trans-62124155.148.40000106.6E237 T241 F242E237-T239 PolarHBondContact O-N 2.79Å; E237-T239 VanDerWaalsContact O-N 3.12Å; T239-T241 PolarHBondContact O-N 3.15Å; T239-F242 PolarHBondContact O-N 3.4Å
240A41.6Very low59.3Low82 Ų8299.2 Ų99.268%0.67849%0.487SS*.Hα-helixtrans-44.6-17.2-165.600000117.7E238E238-A240 PolarHBondContact O-N 2.87Å
241T43Very low58Low103 Ų103102.8 Ų102.863%0.63250%0.502SS*.Hα-helixtrans-74.9-26.4175.3490000114.2T239T239-T241 PolarHBondContact O-N 3.15Å
242F45.4Very low56.1Low127 Ų12799.8 Ų99.856%0.55749%0.493SS*.Hα-helixtrans-87.1-27.2178.9-97.1-91000113.8T239 L244 L245 Y246T239-F242 PolarHBondContact O-N 3.4Å; F242-L244 VanDerWaalsContact C-N 3.32Å; F242-L244 PolarHBondContact O-N 3.2Å; F242-L245 PolarHBondContact O-N 2.88Å; F242-Y246 PolarHBondContact O-N 3.31Å
243A43.5Very low53.9Low21 Ų21104.8 Ų104.817%0.17451%0.513CS..Hα-helixtrans-60.8-38.1178.400000112.7E238 Y246 R247E238-A243 HydrophobicContact CB-CB 4.25Å; E238-A243 WeakPolarHBondContact OE2-CB 3.24Å; A243-Y246 PolarHBondContact O-N 3.14Å; A243-R247 WeakPolarHBondContact O-CB 3.33Å; A243-R247 PolarHBondContact O-N 3.12Å
244L47.5Very low51.6Low122 Ų122112.2 Ų112.264%0.63955%0.545SS*.Hα-helixtrans-66.4-39.8177.5-81.1162.4000112.2F242 L248F242-L244 VanDerWaalsContact C-N 3.32Å; F242-L244 PolarHBondContact O-N 3.2Å; L244-L248 WeakPolarHBondContact O-CB 3.41Å; L244-L248 WeakPolarHBondContact O-CD1 3.41Å; L244-L248 WeakPolarHBondContact O-CG 3.38Å; L244-L248 PolarHBondContact O-N 3.29Å; L244-L248 VanDerWaalsContact O-N 3.1Å
245L49.1Very low49.2Very low110 Ų110121 Ų12158%0.57658%0.577SS**Hα-helixtrans-70.7-37.1177.2-76.5162.4000111.9F242 R249F242-L245 PolarHBondContact O-N 2.88Å; L245-R249 VanDerWaalsContact O-CB 3.29Å; L245-R249 WeakPolarHBondContact O-CB 3.41Å; L245-R249 PolarHBondContact O-N 3.21Å
246Y46.5Very low47Very low107 Ų107121.1 Ų121.142%0.4258%0.58SS.*Hα-helixtrans-73.9-36.3176.6-107.3-91.5000113.1F242 A243 R249 N250F242-Y246 PolarHBondContact O-N 3.31Å; A243-Y246 PolarHBondContact O-N 3.14Å; Y246-R249 CarbonylContact O-C 3.49Å; Y246-R249 PolarHBondContact O-N 2.92Å; Y246-N250 PolarHBondContact O-N 3.11Å
247R45.4Very low45Very low193 Ų193124.9 Ų124.973%0.72859%0.594SS**Hα-helixtrans-63.8-42.8170.9-84.8-170.6-177.7-174.81.7112.2A243 R249 N250 I251A243-R247 WeakPolarHBondContact O-CB 3.33Å; A243-R247 PolarHBondContact O-N 3.12Å; R247-R249 VanDerWaalsContact C-N 3.27Å; R247-R249 PolarHBondContact O-N 2.96Å; R247-N250 PolarHBondContact O-N 2.7Å; R247-I251 WeakPolarHBondContact O-CB 3.43Å; R247-I251 WeakPolarHBondContact O-CD1 3.22Å; R247-I251 WeakPolarHBondContact O-CG1 3.44Å; R247-I251 PolarHBondContact O-N 3.17Å
248L47.7Very low44.2Very low107 Ų107128.8 Ų128.856%0.5660%0.602SS**Hα-helixtrans-61.1-39.4172.5-80.3162.3000111.3L244 L252L244-L248 WeakPolarHBondContact O-CB 3.41Å; L244-L248 WeakPolarHBondContact O-CD1 3.41Å; L244-L248 WeakPolarHBondContact O-CG 3.38Å; L244-L248 PolarHBondContact O-N 3.29Å; L244-L248 VanDerWaalsContact O-N 3.1Å; L248-L252 WeakPolarHBondContact O-CB 3.36Å; L248-L252 WeakPolarHBondContact O-CD1 3.34Å; L248-L252 WeakPolarHBondContact O-CG 3.41Å; L248-L252 PolarHBondContact O-N 3.4Å
249R44.1Very low43.8Very low131 Ų131126.3 Ų126.349%0.49460%0.595SS.*Hα-helixtrans-69.4-39.1177.7-171.7176.2143.3174-6112.9L245 Y246 R247 L252 F253L245-R249 VanDerWaalsContact O-CB 3.29Å; L245-R249 WeakPolarHBondContact O-CB 3.41Å; L245-R249 PolarHBondContact O-N 3.21Å; Y246-R249 CarbonylContact O-C 3.49Å; Y246-R249 PolarHBondContact O-N 2.92Å; R247-R249 VanDerWaalsContact C-N 3.27Å; R247-R249 PolarHBondContact O-N 2.96Å; R249-L252 CarbonylContact O-C 3.56Å; R249-L252 PolarHBondContact O-N 3.17Å; R249-F253 WeakPolarHBondContact O-CB 3.47Å; R249-F253 PolarHBondContact O-N 2.93Å
250N42.3Very low43.5Very low86 Ų86126.8 Ų126.846%0.4659%0.592SS.*Hα-helixtrans-71.7-37.2175.8-81.12.3000112Y246 R247 L252 F253 E254Y246-N250 PolarHBondContact O-N 3.11Å; R247-N250 PolarHBondContact O-N 2.7Å; N250-L252 PolarHBondContact O-N 2.86Å; N250-F253 PolarHBondContact O-N 2.81Å; N250-E254 PolarHBondContact O-N 2.79Å
251I49.8Very low43.2Very low119 Ų119129.6 Ų129.661%0.6160%0.595SS**Hα-helixtrans-62.6-32.8170.8-66.3164.8000111.1R247R247-I251 WeakPolarHBondContact O-CB 3.43Å; R247-I251 WeakPolarHBondContact O-CD1 3.22Å; R247-I251 WeakPolarHBondContact O-CG1 3.44Å; R247-I251 PolarHBondContact O-N 3.17Å
252L43.3Very low42.8Very low106 Ų106130 Ų13056%0.55560%0.597SS**Hα-helixtrans-78.3-27.2171.6-76.9161.1000113.3L248 R249 N250 R255 N256L248-L252 WeakPolarHBondContact O-CB 3.36Å; L248-L252 WeakPolarHBondContact O-CD1 3.34Å; L248-L252 WeakPolarHBondContact O-CG 3.41Å; L248-L252 PolarHBondContact O-N 3.4Å; R249-L252 CarbonylContact O-C 3.56Å; R249-L252 PolarHBondContact O-N 3.17Å; N250-L252 PolarHBondContact O-N 2.86Å; L252-R255 PolarHBondContact O-N 2.83Å; L252-N256 PolarHBondContact O-N 2.76Å
253F42.2Very low42.4Very low113 Ų113128.1 Ų128.150%0.49659%0.592SS.*Hα-helixtrans-76-41.2-179.4-135.8-101.2000111.8R249 N250 R255 N256 M260R249-F253 WeakPolarHBondContact O-CB 3.47Å; R249-F253 PolarHBondContact O-N 2.93Å; N250-F253 PolarHBondContact O-N 2.81Å; F253-R255 PolarHBondContact O-N 2.8Å; F253-N256 PolarHBondContact O-N 3.37Å; F253-M260 HydrophobicContact CZ-CE 4.49Å
254E42.2Very low42.1Very low166 Ų166130.2 Ų130.278%0.77661%0.606SS**Hα-helixtrans-59.3-30.5172.4-122.974.6-161.200111.9N250N250-E254 PolarHBondContact O-N 2.79Å
255R39.9Very low41.4Very low220 Ų220133.5 Ų133.583%0.8361%0.609SS**Hα-helixtrans-88-14.1-176.6-129175.6176.9167.3-1.2114.6L252 F253L252-R255 PolarHBondContact O-N 2.83Å; F253-R255 PolarHBondContact O-N 2.8Å
256N40.8Very low40.6Very low82 Ų82131.4 Ų131.444%0.43960%0.604SS.*  trans-127.841.9-171-86.5-38.4000115.1L252 F253 R258 V259L252-N256 PolarHBondContact O-N 2.76Å; F253-N256 PolarHBondContact O-N 3.37Å; N256-R258 PolarHBondContact O-N 3.36Å; N256-V259 HydrophobicContact CB-CB 4.48Å; N256-V259 HydrophobicContact CB-CG2 4.44Å; N256-V259 PolarHBondContact O-N 3.47Å; N256-V259 WeakPolarHBondContact OD1-CG2 3.36Å
257R40.1Very low40Very low244 Ų244133.2 Ų133.292%0.92162%0.616SS**THydrogen-bonded Turntrans-62.1-5.9166.8-168171.3169.5169.7-1.9114.1
258R41.8Very low39.6Very low246 Ų246130.4 Ų130.493%0.92862%0.615SS**THydrogen-bonded Turntrans-109.3-0179.7-62.1-166.7-150.7-177.86.9116N256N256-R258 PolarHBondContact O-N 3.36Å
259V40.2Very low39Very low68 Ų68131.6 Ų131.641%0.41261%0.613SS.*THydrogen-bonded Turntrans-109.9-9.6-173.5-174.40000113.7N256 D261 V262N256-V259 HydrophobicContact CB-CB 4.48Å; N256-V259 HydrophobicContact CB-CG2 4.44Å; N256-V259 PolarHBondContact O-N 3.47Å; N256-V259 WeakPolarHBondContact OD1-CG2 3.36Å; V259-D261 PolarHBondContact O-N 2.79Å; V259-D261 VanDerWaalsContact O-N 3.14Å; V259-V262 PolarHBondContact O-N 2.75Å
260M37.7Very low38.5Very low110 Ų110130.1 Ų130.154%0.54262%0.615SS.*THydrogen-bonded Turntrans-78.312.7-177.9-81.5-69-103.500116.1F253 S264F253-M260 HydrophobicContact CZ-CE 4.49Å; M260-S264 PolarHBondContact O-OG 2.92Å
261D35.5Very low38.2Very low141 Ų141132.7 Ų132.775%0.75463%0.628SS**THydrogen-bonded Turntrans-91.5-15.7166.2-96.6-7.5000112.9V259V259-D261 PolarHBondContact O-N 2.79Å; V259-D261 VanDerWaalsContact O-N 3.14Å
262V33.9Very low37.6Very low110 Ų110133 Ų13367%0.66763%0.631SS**THydrogen-bonded Turntrans-99.6-27-170.9-175.80000112.9V259V259-V262 PolarHBondContact O-N 2.75Å
263I36.7Very low37.1Very low89 Ų89133 Ų13346%0.45663%0.631SS.*SBendtrans-89.4-23.9-179.4-57.7174.9000112.1R265 S266I263-R265 PolarHBondContact O-N 3.42Å; I263-R265 VanDerWaalsContact O-N 3.12Å; I263-S266 PolarHBondContact O-N 3.25Å; I263-S266 VanDerWaalsContact O-N 3.11Å; I263-S266 PolarHBondContact O-OG 3.08Å
264S37Very low36.7Very low65 Ų65135.1 Ų135.146%0.45564%0.641SS.*Hα-helixtrans-62.5-20.5176.6-53.10000113.2M260M260-S264 PolarHBondContact O-OG 2.92Å
265R34.2Very low36.5Very low190 Ų190131.5 Ų131.572%0.71763%0.634SS**Hα-helixtrans-83-20.3176.7-74.5-178.3176.1168.81114.2I263I263-R265 PolarHBondContact O-N 3.42Å; I263-R265 VanDerWaalsContact O-N 3.12Å
266S32.3Very low36.2Very low67 Ų67128 Ų12847%0.46963%0.631SS.*Hα-helixtrans-90.7-27.9-175.252.30000113.6I263 Y269I263-S266 PolarHBondContact O-N 3.25Å; I263-S266 VanDerWaalsContact O-N 3.11Å; I263-S266 PolarHBondContact O-OG 3.08Å; S266-Y269 WeakPolarHBondContact O-CB 3.4Å; S266-Y269 PolarHBondContact O-N 3.14Å
267Q33.1Very low35.9Very low144 Ų144133.2 Ų133.267%0.67365%0.646SS**Hα-helixtrans-80.3-29.1176.9-87.1167.8-17.200113.8Y269 L270Q267-Y269 PolarHBondContact O-N 3.17Å; Q267-L270 PolarHBondContact O-N 3.26Å
268L36.8Very low35.5Very low135 Ų135131.4 Ų131.471%0.70764%0.641SS**Hα-helixtrans-67-16.9169.2-70.5169.2000112.7
269Y34.2Very low35.2Very low132 Ų132127 Ų12752%0.51864%0.635SS.*Hα-helixtrans-81.2-20.5-178.3-155.1-96.6000113.5S266 Q267 K318S266-Y269 WeakPolarHBondContact O-CB 3.4Å; S266-Y269 PolarHBondContact O-N 3.14Å; Q267-Y269 PolarHBondContact O-N 3.17Å; Y269-K318 PolarHBondContact OH-NZ 3.29Å
270L35Very low34.7Very low100 Ų100133.4 Ų133.452%0.52466%0.658SS.*Hα-helixtrans-94.8-33.9-178.1-74.1176.1000112.9Q267 L273 F274Q267-L270 PolarHBondContact O-N 3.26Å; L270-L273 PolarHBondContact O-N 3Å; L270-F274 WeakPolarHBondContact O-CD2 3.32Å
271D35.5Very low34.3Very low140 Ų140134.2 Ų134.275%0.74967%0.671SS**Hα-helixtrans-71.3-31.4-178.8-85.6-10.6000113
272D37.6Very low33.8Very low126 Ų126135.7 Ų135.767%0.67468%0.678SS**THydrogen-bonded Turntrans-75.3-28.6174.1-1021.8000112.8F274D272-F274 VanDerWaalsContact C-N 3.29Å; D272-F274 PolarHBondContact O-N 2.94Å
273L32.8Very low33.6Very low105 Ų105135.9 Ų135.955%0.5569%0.685SS.*THydrogen-bonded Turntrans-72.4-22.8-176.3-145.481.6000113L270L270-L273 PolarHBondContact O-N 3Å
274F32.9Very low33.3Very low158 Ų158139 Ų13969%0.69370%0.699SS**THydrogen-bonded Turntrans-98-10.8-178.9-74.2-72.1000114L270 D272L270-F274 WeakPolarHBondContact O-CD2 3.32Å; D272-F274 VanDerWaalsContact C-N 3.29Å; D272-F274 PolarHBondContact O-N 2.94Å
275S38.9Very low33Very low90 Ų90141 Ų14163%0.62971%0.708SS**THydrogen-bonded Turntrans-80.7-26.5179.5-164.20000113
276D33.7Very low32.6Very low145 Ų145138.7 Ų138.778%0.77571%0.71SS**SBendtrans-91.3-1.3-174.3-71.7-13.7000114.4
277Y33.3Very low32.4Very low192 Ų192143.7 Ų143.775%0.75373%0.73SS**SBendtrans-96.7-2.5-169.5-146.2-96.8000115.8
278Y32.6Very low32.3Very low207 Ų207141.3 Ų141.381%0.81273%0.73SS**SBendtrans-131.611.6-173.1-96.4-76.7000118.6
279D34.5Very low32.1Very low152 Ų152141.5 Ų141.581%0.81373%0.73SS**  trans-133.192.8173.3-84.3-36.1000112
280K30.6Very low31.8Very low203 Ų203143.8 Ų143.888%0.88374%0.743SS**  trans-177.5121.6138.7-102158-172.8176.40112.5
281P28.2Very low31.7Very low127 Ų127147.9 Ų147.983%0.82576%0.759SS**  trans-71.4136.5159.228.4-29.5000110.3S283P281-S283 PolarHBondContact O-N 3.34Å
282L27.1Very low31.7Very low173 Ų173144.6 Ų144.691%0.90676%0.759SS**  trans-61.8122.1173.9-74.8147.8000110.8
283S29.3Very low31.7Very low114 Ų114143.3 Ų143.380%0.79776%0.755SS**  trans-119103157.4-174.50000107.5P281P281-S283 PolarHBondContact O-N 3.34Å
284M30.7Very low32Very low153 Ų153145 Ų14575%0.75476%0.76SS**  trans-74.6153165.3-81.9-75.1-45.900109.2
285T30.7Very low32.3Very low107 Ų107142.6 Ų142.666%0.65675%0.754SS**  trans86.5132177.385.90000113.6
286D25Very low32.4Very low142 Ų142148.8 Ų148.876%0.75976%0.763SS**  cis-153135.130.7-72.8-67.1000110.1
287I28.7Very low32.9Very low173 Ų173143.6 Ų143.689%0.88774%0.737SS**  trans-145.6114.8145.8-55.7-177.7000109.1
288S29.7Very low33.5Very low94 Ų94138 Ų13866%0.65772%0.719SS**  trans-93.4143.9164.2144.60000109.5
289L32.7Very low34.2Very low138 Ų138128.8 Ų128.872%0.72368%0.684SS**  trans106.2135.1144.5-124.885.8000121.8
290K28.9Very low34.7Very low180 Ų180125.7 Ų125.778%0.78367%0.668SS**  trans85.3117149.9-83.2174.8-176.4-179.60121
291E31.6Very low35.4Very low186 Ų186122.5 Ų122.587%0.86966%0.66SS**SBendtrans-71140.9171.2-77.8166.6145.200112.2
292G37Very low36.1Very low71 Ų71121.9 Ų121.973%0.73265%0.646SS**SBendtrans113.6-0.7162.100000117.6
293T36.2Very low37.1Very low99 Ų99121.2 Ų121.261%0.60764%0.643SS**  trans-119.8123.6178.551.90000112.4I295T293-I295 PolarHBondContact O-N 3.42Å; T293-I295 VanDerWaalsContact O-N 3.15Å
294H39.5Very low37.7Very low140 Ų140119.4 Ų119.465%0.64862%0.624SS**  trans-68.3108.1173.1-72.3-76000110.6
295I39.7Very low38.3Very low109 Ų109117.7 Ų117.756%0.55962%0.624SS**  trans-91.2123.9174.9-59.5171.7000108.4T293 V297T293-I295 PolarHBondContact O-N 3.42Å; T293-I295 VanDerWaalsContact O-N 3.15Å; I295-V297 HydrophobicContact CG2-CG2 4.09Å; I295-V297 PolarHBondContact O-N 2.68Å
296R40.6Very low39.1Very low220 Ų220117.7 Ų117.783%0.8362%0.615SS**EExtended strand (participates in β ladder)trans-71117.4169.6-79.5-177.2176.4173.6-0.6108.5
297V44Very low40Very low36 Ų36114 Ų11422%0.21861%0.61CS.*EExtended strand (participates in β ladder)trans-113.9131.3177.9-173.60000109I295 L299 F326I295-V297 HydrophobicContact CG2-CG2 4.09Å; I295-V297 PolarHBondContact O-N 2.68Å; V297-L299 PolarHBondContact O-N 3.29Å; V297-F326 HydrophobicContact CG2-CD2 4.43Å
298N45.9Very low40.7Very low73 Ų73110.9 Ų110.939%0.3960%0.602SS.*EExtended strand (participates in β ladder)trans-77106.9171.7-170.9-13000108.8L300 N301N298-L300 PolarHBondContact O-N 3.49Å; N298-L300 WeakPolarHBondContact OD1-CB 3.22Å; N298-L300 WeakPolarHBondContact OD1-CD1 3.32Å; N298-L300 WeakPolarHBondContact OD1-CG 3.49Å; N298-L300 PolarHBondContact OD1-N 2.95Å; N298-N301 PolarHBondContact O-N 3.46Å
299L47.4Very low41.3Very low14 Ų14108.1 Ų108.17%0.07358%0.582CS.*G310 helixtrans-74.2-2.2-173.2-64.5172.9000113.7V297 N301 H302 I304 F326 L338V297-L299 PolarHBondContact O-N 3.29Å; L299-N301 PolarHBondContact O-N 3.3Å; L299-H302 PolarHBondContact O-N 3.28Å; L299-I304 HydrophobicContact CD1-CD1 4.41Å; L299-I304 HydrophobicContact CD2-CD1 4.03Å; L299-F326 HydrophobicContact CD2-CE2 4.19Å; L299-L338 HydrophobicContact CD1-CD2 3.36Å
300L45.5Very low41.5Very low88 Ų88109.6 Ų109.646%0.46159%0.589SS.*G310 helixtrans-61.4-26.4171.9-68.6171.3000112.5N298N298-L300 PolarHBondContact O-N 3.49Å; N298-L300 WeakPolarHBondContact OD1-CB 3.22Å; N298-L300 WeakPolarHBondContact OD1-CD1 3.32Å; N298-L300 WeakPolarHBondContact OD1-CG 3.49Å; N298-L300 PolarHBondContact OD1-N 2.95Å
301N44.1Very low41.9Very low136 Ų136109 Ų10973%0.72759%0.593SS**G310 helixtrans-85.7-1.1-179-72.8-11.9000114.4N298 L299N298-N301 PolarHBondContact O-N 3.46Å; L299-N301 PolarHBondContact O-N 3.3Å
302H44Very low42.4Very low113 Ų113103 Ų10352%0.52357%0.571SS.*G310 helixtrans-124.620.2-169.6-67-68000114.8L299 I304L299-H302 PolarHBondContact O-N 3.28Å; H302-I304 VanDerWaalsContact C-N 3.29Å; H302-I304 PolarHBondContact O-N 3.28Å; H302-I304 VanDerWaalsContact O-N 3.16Å
303N47.7Very low42.6Very low159 Ų159103.1 Ų103.185%0.8557%0.572SS**THydrogen-bonded Turntrans53.833.8171.3-75.1-11.1000116
304I42.9Very low43Very low77 Ų77103.3 Ų103.340%0.39557%0.567SS.*  trans-84.5123.3172.9-56.4-179.2000109.3L299 H302L299-I304 HydrophobicContact CD1-CD1 4.41Å; L299-I304 HydrophobicContact CD2-CD1 4.03Å; H302-I304 VanDerWaalsContact C-N 3.29Å; H302-I304 PolarHBondContact O-N 3.28Å; H302-I304 VanDerWaalsContact O-N 3.16Å
305P43Very low43Very low116 Ų11698.8 Ų98.875%0.75356%0.559SS**  trans-69.2139.1-177.126.7-33.2000111.9G307P305-G307 PolarHBondContact O-N 3.17Å; P305-G307 VanDerWaalsContact O-N 3.16Å
306K46Very low43.1Very low107 Ų107101.3 Ų101.347%0.46557%0.573SS.*  trans-75.699.8176.7-63.6178.3-178.1176.90109.4R319K306-R319 VanDerWaalsContact CD-O 3.32Å; K306-R319 WeakPolarHBondContact CD-O 3.42Å; K306-R319 WeakPolarHBondContact CE-O 3.34Å; K306-R319 PolarHBondContact NZ-O 3.16Å
307G44.8Very low43.2Very low64 Ų6497.2 Ų97.266%0.6656%0.561SS**PPolyproline II helixtrans-82.5155.5173.300000113.4P305P305-G307 PolarHBondContact O-N 3.17Å; P305-G307 VanDerWaalsContact O-N 3.16Å
308P43.9Very low43.2Very low109 Ų109102.7 Ų102.771%0.70858%0.583SS**PPolyproline II helixtrans-70.3144.9-177.928.4-33.7000112.4
309C41.6Very low43.3Very low35 Ų35102.6 Ų102.624%0.23658%0.577CS.*PPolyproline II helixtrans-99116177.6-178.80000110.3L311 R319C309-L311 PolarHBondContact O-N 3.4Å; C309-R319 VanDerWaalsContact CB-CZ 3.49Å; C309-R319 PolarHBondContact SG-NH2 3.36Å; C309-R319 VanDerWaalsContact SG-NH2 3.4Å
310I37Very low43.1Very low170 Ų170110.1 Ų110.187%0.87261%0.612SS**THydrogen-bonded Turntrans-65.5-19.8-177.6-78.7167000113.4
311L36.8Very low43Very low167 Ų167109.7 Ų109.787%0.87461%0.613SS**THydrogen-bonded Turntrans-83.4-24.2-172.2-70.5168.5000115.2C309C309-L311 PolarHBondContact O-N 3.4Å
312C43.3Very low43.1Very low60 Ų60105.2 Ų105.241%0.40559%0.59SS.*SBendtrans-111.85.9-170.977.10000114.8M314 R319C312-M314 PolarHBondContact O-N 3.1Å; C312-R319 PolarHBondContact SG-NH2 3.34Å
313G41.3Very low43.2Very low73 Ų73105.3 Ų105.375%0.75359%0.586SS**SBendtrans64.5-5.4176.200000116.8G315G313-G315 VanDerWaalsContact C-N 3.26Å; G313-G315 PolarHBondContact O-N 3.04Å
314M43.3Very low43Very low104 Ų10497.9 Ų97.951%0.51255%0.548SS..  trans-85.959179.4-65.7-173.67800111.9C312 N316 F317C312-M314 PolarHBondContact O-N 3.1Å; M314-N316 PolarHBondContact O-N 2.86Å; M314-F317 HydrophobicContact CE-CB 4.39Å; M314-F317 HydrophobicContact CE-CD2 3.77Å; M314-F317 HydrophobicContact CE-CE2 4.39Å; M314-F317 HydrophobicContact CE-CG 4.24Å
315G39.8Very low42.8Very low45 Ų4595.9 Ų95.946%0.46454%0.54SS..THydrogen-bonded Turntrans-60.2-7.9-170.300000117.5G313G313-G315 VanDerWaalsContact C-N 3.26Å; G313-G315 PolarHBondContact O-N 3.04Å
316N42.4Very low42.6Very low162 Ų16295.3 Ų95.387%0.86653%0.526SS*.THydrogen-bonded Turntrans-132.69.3-171.3-72.7-25.2000116.2M314M314-N316 PolarHBondContact O-N 2.86Å
317F41.6Very low42.3Very low133 Ų13396 Ų9658%0.58353%0.531SS*.  trans-106.8130178.9-68.4-80000112.1M314 R319M314-F317 HydrophobicContact CE-CB 4.39Å; M314-F317 HydrophobicContact CE-CD2 3.77Å; M314-F317 HydrophobicContact CE-CE2 4.39Å; M314-F317 HydrophobicContact CE-CG 4.24Å; F317-R319 PolarHBondContact O-N 3.16Å
318K45.1Very low42Very low152 Ų15296 Ų9666%0.66152%0.52SS*.  trans-66.7129.2174.6-77.7-177.2-178.6175.60109.5Y269Y269-K318 PolarHBondContact OH-NZ 3.29Å
319R48Very low41.8Very low70 Ų7095.3 Ų95.326%0.26452%0.518SS..  trans-84.7141.9175-65.1-178.5174.9-175.3-6.4111.1K306 C309 C312 F317K306-R319 VanDerWaalsContact CD-O 3.32Å; K306-R319 WeakPolarHBondContact CD-O 3.42Å; K306-R319 WeakPolarHBondContact CE-O 3.34Å; K306-R319 PolarHBondContact NZ-O 3.16Å; C309-R319 VanDerWaalsContact CB-CZ 3.49Å; C309-R319 PolarHBondContact SG-NH2 3.36Å; C309-R319 VanDerWaalsContact SG-NH2 3.4Å; C312-R319 PolarHBondContact SG-NH2 3.34Å; F317-R319 PolarHBondContact O-N 3.16Å
320E41.8Very low41.5Very low173 Ų17397.7 Ų97.781%0.80853%0.531SS*.SBendtrans-80.6-25.9-176.6-71.1-177167.100113.9
321T44.9Very low41.4Very low79 Ų7997.1 Ų97.149%0.48553%0.53SS..  trans-140.4132.2-18053.30000113.1
322V46.4Very low41.7Very low41 Ų4192.9 Ų92.925%0.24853%0.526CS..  trans-128.1115.7166.6-175.20000107.4L338V322-L338 HydrophobicContact CG1-CD2 4.41Å
323Y44.3Very low41.4Very low115 Ų11596 Ų9645%0.45154%0.535SS..EExtended strand (participates in β ladder)trans-94.4134.2173-65-80.9000109H339Y323-H339 PolarHBondContact O-N 3.2Å; Y323-H339 VanDerWaalsContact O-O 3.08Å
324G44.4Very low41.5Very low4 Ų4102.2 Ų102.24%0.04154%0.542CS..EExtended strand (participates in β ladder)trans-130.7154.2172.800000111
325C38.2Very low41.3Very low35 Ų35102.9 Ų102.924%0.23654%0.539CS..EExtended strand (participates in β ladder)trans-103.6133.5171.7-85.30000109.4Q327 R337C325-Q327 PolarHBondContact O-N 3.24Å; C325-R337 PolarHBondContact N-O 3.06Å
326F39.1Very low41.5Very low104 Ų104104 Ų10446%0.45654%0.536SS..EExtended strand (participates in β ladder)trans-84.697.5169.1-99.5-85.6000109.5V297 L299 V336V297-F326 HydrophobicContact CG2-CD2 4.43Å; L299-F326 HydrophobicContact CD2-CE2 4.19Å; F326-V336 HydrophobicContact CD1-CG2 4.43Å; F326-V336 HydrophobicContact CE1-CG2 3.91Å; F326-V336 HydrophobicContact CZ-CG2 4.13Å
327Q40.2Very low41.4Very low122 Ų122104.1 Ų104.157%0.5753%0.525SS*.EExtended strand (participates in β ladder)trans154.5116.5139.2-93.2174-3800110.8C325C325-Q327 PolarHBondContact O-N 3.24Å
328C38.8Very low41.4Very low63 Ų63102.1 Ų102.143%0.42652%0.52SS..EExtended strand (participates in β ladder)trans-136.9119.3140.8-110.50000106.4Y335C328-Y335 PolarHBondContact N-O 3.48Å; C328-Y335 PolarHBondContact O-N 3.38Å
329S39.5Very low41.2Very low95 Ų95100.1 Ų100.166%0.66451%0.512SS*.EExtended strand (participates in β ladder)trans-98.7123.9168.256.50000108.6
330V35.5Very low40.8Very low84 Ų8499.8 Ų99.851%0.50953%0.525SS..EExtended strand (participates in β ladder)trans-128130166.6-177.40000105.8G332 Q333 Y335V330-G332 VanDerWaalsContact C-N 3.35Å; V330-G332 PolarHBondContact O-N 3.44Å; V330-Q333 PolarHBondContact N-O 3.02Å; V330-Q333 PolarHBondContact O-N 3.33Å; V330-Y335 HydrophobicContact CB-CE2 4.24Å
331D34.4Very low40.8Very low158 Ų15896 Ų9685%0.84551%0.513SS*.THydrogen-bonded Turntrans52.142.5179.2-59-24.3000115.8Q333D331-Q333 PolarHBondContact O-N 3.41Å
332G44.1Very low40.1Very low78 Ų7897.5 Ų97.580%0.80453%0.525SS*.THydrogen-bonded Turntrans72.9-2.8174.300000115.2V330V330-G332 VanDerWaalsContact C-N 3.35Å; V330-G332 PolarHBondContact O-N 3.44Å
333Q35.7Very low39.4Very low127 Ų127100 Ų10059%0.59354%0.543SS*.EExtended strand (participates in β ladder)trans-96.8137.6171.3-66.3-166.9-3.300110.9V330 D331 Y335V330-Q333 PolarHBondContact N-O 3.02Å; V330-Q333 PolarHBondContact O-N 3.33Å; D331-Q333 PolarHBondContact O-N 3.41Å; Q333-Y335 HydrophobicContact CB-CE2 3.98Å; Q333-Y335 WeakPolarHBondContact O-CD2 3.37Å; Q333-Y335 WeakPolarHBondContact O-CE2 3.38Å; Q333-Y335 PolarHBondContact OE1-OH 3.15Å
334K43.7Very low38.7Very low203 Ų203103.7 Ų103.788%0.88356%0.561SS**EExtended strand (participates in β ladder)trans-89.3123.6-177.9-64.9-180-179.7178.20109.7
335Y40.1Very low38.2Very low118 Ų118110.1 Ų110.146%0.46360%0.595SS.*EExtended strand (participates in β ladder)trans-113147176.7-57.4-82.5000112.2C328 V330 Q333C328-Y335 PolarHBondContact N-O 3.48Å; C328-Y335 PolarHBondContact O-N 3.38Å; V330-Y335 HydrophobicContact CB-CE2 4.24Å; Q333-Y335 HydrophobicContact CB-CE2 3.98Å; Q333-Y335 WeakPolarHBondContact O-CD2 3.37Å; Q333-Y335 WeakPolarHBondContact O-CE2 3.38Å; Q333-Y335 PolarHBondContact OE1-OH 3.15Å
336V42.6Very low37.7Very low67 Ų67116.1 Ų116.141%0.40662%0.623SS.*EExtended strand (participates in β ladder)trans-104.6120.4172.3179.40000108.4F326 L338F326-V336 HydrophobicContact CD1-CG2 4.43Å; F326-V336 HydrophobicContact CE1-CG2 3.91Å; F326-V336 HydrophobicContact CZ-CG2 4.13Å; V336-L338 HydrophobicContact CG1-CD2 4.12Å; V336-L338 HydrophobicContact CG1-CG 4.48Å
337R39.9Very low37.1Very low166 Ų166122 Ų12263%0.62664%0.642SS**EExtended strand (participates in β ladder)trans-99.2113.1176.7-161.7179.1-115-175.1-1.3109.4C325C325-R337 PolarHBondContact N-O 3.06Å
338L41.8Very low36.7Very low91 Ų91125.3 Ų125.348%0.47666%0.658SS.*EExtended strand (participates in β ladder)trans-89.4125.5179.8-62.7172.2000109.8L299 V322 V336L299-L338 HydrophobicContact CD1-CD2 3.36Å; V322-L338 HydrophobicContact CG1-CD2 4.41Å; V336-L338 HydrophobicContact CG1-CD2 4.12Å; V336-L338 HydrophobicContact CG1-CG 4.48Å
339H41.3Very low35.9Very low109 Ų109130.3 Ų130.351%0.50567%0.672SS.*EExtended strand (participates in β ladder)trans-99.4105173-73.3-92.1000108.7Y323 V341Y323-H339 PolarHBondContact O-N 3.2Å; Y323-H339 VanDerWaalsContact O-O 3.08Å; H339-V341 PolarHBondContact O-N 3.28Å
340A40.3Very low35.6Very low63 Ų63137.5 Ų137.552%0.52169%0.685SS.*  trans-78.6110.4172.500000109.1
341V40.6Very low35.1Very low94 Ų94141.3 Ų141.357%0.5770%0.699SS**PPolyproline II helixtrans-76.4127.4172.4-171.80000108.2H339H339-V341 PolarHBondContact O-N 3.28Å
342P31.9Very low34.9Very low111 Ų111147.5 Ų147.572%0.72172%0.718SS**PPolyproline II helixtrans-77.1152.1172.622.4-14.6000111.1
343C31.3Very low34.5Very low94 Ų94151 Ų15164%0.63571%0.714SS**SBendtrans-64.7145.6-166.3-49.60000115.1
344F29.8Very low34.4Very low191 Ų191152.3 Ų152.384%0.83872%0.72SS**  trans92.7142.6160-89-82.3000122.9
345D34.2Very low33.9Very low139 Ų139149.4 Ų149.474%0.74371%0.711SS**  trans-41.6130.3177.2-63-53.5000116.1
346I27.9Very low33.5Very low162 Ų162151.3 Ų151.383%0.83173%0.726SS**  trans-144.2114.2151.7-57.9-177.4000110.8
347W25.7Very low33Very low226 Ų226156.6 Ų156.686%0.85675%0.746SS**  trans13.9133.9144.5-88.922.3000120.7K349W347-K349 PolarHBondContact O-N 3.26Å
348H31.1Very low32.5Very low193 Ų193155.9 Ų155.989%0.89475%0.754SS**  trans-57.3119.5150.3-81.9-90.8000110.7
349K23.3Very low31.8Very low167 Ų167160.6 Ų160.673%0.72677%0.774SS**  trans-144.5107.5151.3-155.1172.2-175178.10110.4W347W347-K349 PolarHBondContact O-N 3.26Å
350R33.6Very low31.1Very low247 Ų247164.5 Ų164.593%0.93279%0.794SS**  trans-68.8124.9160.8-107.1-178.4-177.1173.31.2107.8
351M24.2Very low30.4Very low164 Ų164173 Ų17381%0.80882%0.817SS**  trans-134.9141.8153.4-74.2-68.5-8300107.3
352K30.7Very low29.4Very low288 Ų288180.2 Ų180.2100%1.25284%0.84SS**  trans-47.30-164.3-79.2177.1172177.70116.2

Retrieved 352 of 352 residues in 208.8 ms (Link to these results)

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