A0A077Z8R6_TRITR Loading...

Mannose-6-phosphate isomerase

AlphaFold DB , UniProt , Accession A0A077Z8R6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 427 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
1M91.1Very high96Very high24 Ų2455 Ų5512%0.11826%0.261CS..  0142.70-137.8175.1-62.500106.8V378 V387 E389 L395 F399 L402 L403 L409M1-V378 HydrophobicContact SD-CG2 3.48Å; M1-V378 WeakPolarHBondContact SD-CG2 3.31Å; M1-V387 HydrophobicContact CE-CG1 3.99Å; M1-E389 WeakPolarHBondContact CA-OE1 3.5Å; M1-E389 VanDerWaalsContact CB-OE1 3.25Å; M1-E389 WeakPolarHBondContact CB-OE1 3.47Å; M1-E389 PolarHBondContact N-OE1 2.92Å; M1-E389 PolarHBondContact N-OE2 2.9Å; M1-L395 HydrophobicContact CE-CD1 3.84Å; M1-L395 HydrophobicContact SD-CD1 4.12Å; M1-F399 HydrophobicContact SD-CE1 3.76Å; M1-F399 HydrophobicContact SD-CZ 4.26Å; M1-L402 WeakPolarHBondContact CG-O 3.33Å; M1-L403 HydrophobicContact CE-CD1 4.45Å; M1-L403 HydrophobicContact CG-CB 4.32Å; M1-L403 HydrophobicContact CG-CD1 4.31Å; M1-L409 HydrophobicContact CE-CD1 3.34Å; M1-L409 HydrophobicContact CE-CD2 3.71Å; M1-L409 HydrophobicContact CE-CG 4.16Å
2I94.7Very high96.1Very high32 Ų3260.8 Ų60.816%0.16429%0.288CS..EExtended strand (participates in β ladder)trans-103.6120.6-179.4-58.3177.2000108.5I56 W66 Y73 G401 L402I2-I56 HydrophobicContact CG2-CD1 4.09Å; I2-I56 HydrophobicContact CG2-CG2 4Å; I2-W66 HydrophobicContact CD1-CH2 3.11Å; I2-W66 HydrophobicContact CD1-CZ2 3.35Å; I2-W66 HydrophobicContact CD1-CZ3 3.85Å; I2-Y73 HydrophobicContact CD1-CD1 4.03Å; I2-Y73 HydrophobicContact CD1-CE1 3.71Å; I2-G401 CarbonylContact O-C 3.57Å; I2-G401 WeakPolarHBondContact O-CA 3.33Å; I2-L402 HydrophobicContact CB-CB 4.29Å; I2-L402 HydrophobicContact CD1-CD2 4.41Å; I2-L402 PolarHBondContact N-O 3.35Å; I2-L402 PolarHBondContact O-N 3.13Å
3R95.9Very high96.1Very high113 Ų11357.9 Ų57.943%0.42627%0.272SS..EExtended strand (participates in β ladder)trans-68.8136.5179.8-171177.2-169.5142.21110.5G29 A57 F399R3-G29 PolarHBondContact NH2-O 3.42Å; R3-A57 HydrophobicContact CB-CB 3.98Å; R3-A57 HydrophobicContact CG-CB 3.88Å; R3-A57 VanDerWaalsContact O-CB 3.27Å; R3-A57 WeakPolarHBondContact O-CB 3.34Å; R3-A57 PolarHBondContact O-N 2.95Å; R3-F399 HydrophobicContact CB-CE2 4.08Å; R3-F399 HydrophobicContact CB-CZ 4.47Å; R3-F399 HydrophobicContact CG-CD2 4.4Å; R3-F399 HydrophobicContact CG-CE2 3.87Å
4L97.4Very high96.3Very high7 Ų753.9 Ų53.94%0.03725%0.253CS..EExtended strand (participates in β ladder)trans-111.8153.2177.5-57.8177.9000111.1L55 I56 L63 I377 I400 L402L4-L55 CarbonylContact C-O 3.51Å; L4-L55 VanDerWaalsContact CA-O 3.26Å; L4-L55 WeakPolarHBondContact CA-O 3.33Å; L4-I56 HydrophobicContact CD2-CD1 3.72Å; L4-L63 HydrophobicContact CD1-CD2 4.09Å; L4-L63 HydrophobicContact CD2-CD1 3.98Å; L4-I377 HydrophobicContact CD1-CD1 3.72Å; L4-I400 HydrophobicContact CB-CB 4.47Å; L4-I400 HydrophobicContact CB-CG2 4.01Å; L4-I400 HydrophobicContact CD1-CG2 4.34Å; L4-I400 PolarHBondContact N-O 2.91Å; L4-L402 HydrophobicContact CD1-CB 4.22Å; L4-L402 HydrophobicContact CD2-CB 4.33Å; L4-L402 HydrophobicContact CG-CB 4.4Å
5K96.7Very high96.5Very high96 Ų9651.5 Ų51.542%0.41724%0.242SC..EExtended strand (participates in β ladder)trans-106.6120.5161.4-70-171.1175.9-150.80108.3D30 S54 L55 A57K5-D30 WeakPolarHBondContact CE-OD2 3.38Å; K5-D30 IonicContact NZ-OD2 2.67Å; K5-D30 PolarHBondContact NZ-OD2 3.32Å; K5-S54 CarbonylContact O-C 3.52Å; K5-S54 VanDerWaalsContact O-CA 3.29Å; K5-S54 WeakPolarHBondContact O-CA 3.37Å; K5-L55 HydrophobicContact CB-CB 4.41Å; K5-L55 PolarHBondContact N-O 3.33Å; K5-L55 PolarHBondContact O-N 2.98Å; K5-A57 HydrophobicContact CG-CB 3.99Å
6A96.5Very high96.6Very high20 Ų2052.9 Ų52.917%0.16525%0.251CS..  trans-87.3150.6178.800000111.4L44 W45 M46 I400A6-L44 HydrophobicContact CB-CD1 3.72Å; A6-L44 HydrophobicContact CB-CG 4.15Å; A6-W45 WeakPolarHBondContact CA-O 3.37Å; A6-W45 WeakPolarHBondContact CB-O 3.48Å; A6-M46 HydrophobicContact CB-CG 3.9Å; A6-I400 HydrophobicContact CB-CD1 3.4Å; A6-I400 VanDerWaalsContact CB-CD1 3.4Å
7A96Very high96.7Very high27 Ų2749.8 Ų49.822%0.22324%0.236CC..EExtended strand (participates in β ladder)trans-78.1157.8166.600000109.8W45A7-W45 HydrophobicContact CB-CB 4.31Å; A7-W45 PolarHBondContact N-O 2.85Å; A7-W45 PolarHBondContact O-N 3.02Å
8Y97Very high96.7Very high97 Ų9753.1 Ų53.138%0.3826%0.256SS..EExtended strand (participates in β ladder)trans-140.7156.8173.863.2-88000111.2T10 L26 Y41 E43Y8-T10 HydrophobicContact CD2-CG2 4.18Å; Y8-T10 HydrophobicContact CE2-CG2 4.06Å; Y8-L26 HydrophobicContact CD1-CD1 3.73Å; Y8-L26 HydrophobicContact CD1-CD2 3.66Å; Y8-L26 HydrophobicContact CD1-CG 4.37Å; Y8-L26 HydrophobicContact CD2-CD1 3.86Å; Y8-L26 HydrophobicContact CE1-CD1 4.28Å; Y8-L26 HydrophobicContact CE1-CD2 4.33Å; Y8-L26 HydrophobicContact CE2-CD1 4.4Å; Y8-L26 HydrophobicContact CG-CD1 3.5Å; Y8-L26 VanDerWaalsContact CG-CD1 3.5Å; Y8-L26 HydrophobicContact CG-CD2 4.15Å; Y8-L26 HydrophobicContact CG-CG 4.47Å; Y8-Y41 HydrophobicContact CD2-CD1 4.16Å; Y8-Y41 HydrophobicContact CD2-CE1 4.35Å; Y8-Y41 HydrophobicContact CE2-CD1 4.29Å; Y8-Y41 HydrophobicContact CE2-CE1 4.02Å; Y8-E43 CarbonylContact C-O 3.56Å; Y8-E43 WeakPolarHBondContact CA-O 3.44Å; Y8-E43 WeakPolarHBondContact CB-O 3.46Å
9Q97.3Very high96.7Very high38 Ų3857.6 Ų57.618%0.17828%0.276CS..EExtended strand (participates in β ladder)trans-121.4132.7-175.9-57.8-65.4-17.700110.5Y11 A42 E43 W45Q9-Y11 HydrophobicContact CB-CD1 4.19Å; Q9-Y11 HydrophobicContact CB-CD2 3.78Å; Q9-Y11 HydrophobicContact CB-CE1 3.89Å; Q9-Y11 HydrophobicContact CB-CE2 3.48Å; Q9-Y11 VanDerWaalsContact CB-CE2 3.48Å; Q9-Y11 HydrophobicContact CB-CG 4.13Å; Q9-Y11 VanDerWaalsContact CD-OH 3.23Å; Q9-Y11 HydrophobicContact CG-CD2 4.5Å; Q9-Y11 HydrophobicContact CG-CE1 4.22Å; Q9-Y11 HydrophobicContact CG-CE2 3.71Å; Q9-Y11 WeakPolarHBondContact CG-OH 3.49Å; Q9-Y11 PolarHBondContact OE1-OH 3.1Å; Q9-A42 WeakPolarHBondContact O-CB 3.36Å; Q9-A42 PolarHBondContact O-N 3.34Å; Q9-E43 HydrophobicContact CB-CB 4.12Å; Q9-E43 HydrophobicContact CG-CB 4.31Å; Q9-E43 PolarHBondContact N-O 2.85Å; Q9-E43 PolarHBondContact O-N 3.49Å; Q9-W45 HydrophobicContact CG-CZ2 4.33Å
10T97.2Very high96.8Very high75 Ų7554.8 Ų54.846%0.4626%0.263SS..  trans-102.448.2179.558.70000111.1Y8 P40Y8-T10 HydrophobicContact CD2-CG2 4.18Å; Y8-T10 HydrophobicContact CE2-CG2 4.06Å; T10-P40 WeakPolarHBondContact CA-O 3.33Å; T10-P40 WeakPolarHBondContact CB-O 3.19Å; T10-P40 WeakPolarHBondContact CG2-O 3.25Å; T10-P40 WeakPolarHBondContact O-CG 3.49Å
11Y96.7Very high96.9Very high76 Ų7654.9 Ų54.930%0.29826%0.262SS..  trans-66.9145179.9-56.9-38.5000111.5Q9 W13 G14 P40 A42 E43Q9-Y11 HydrophobicContact CB-CD1 4.19Å; Q9-Y11 HydrophobicContact CB-CD2 3.78Å; Q9-Y11 HydrophobicContact CB-CE1 3.89Å; Q9-Y11 HydrophobicContact CB-CE2 3.48Å; Q9-Y11 VanDerWaalsContact CB-CE2 3.48Å; Q9-Y11 HydrophobicContact CB-CG 4.13Å; Q9-Y11 VanDerWaalsContact CD-OH 3.23Å; Q9-Y11 HydrophobicContact CG-CD2 4.5Å; Q9-Y11 HydrophobicContact CG-CE1 4.22Å; Q9-Y11 HydrophobicContact CG-CE2 3.71Å; Q9-Y11 WeakPolarHBondContact CG-OH 3.49Å; Q9-Y11 PolarHBondContact OE1-OH 3.1Å; Y11-W13 VanDerWaalsContact CB-NE1 3.28Å; Y11-W13 AromaticContact CD2-CE2 3.91Å; Y11-W13 AromaticContact CD2-CZ2 3.81Å; Y11-W13 HydrophobicContact CD2-CZ2 3.81Å; Y11-W13 AromaticContact CD2-NE1 3.63Å; Y11-W13 AromaticContact CG-NE1 3.83Å; Y11-W13 PolarHBondContact O-N 3.45Å; Y11-G14 PolarHBondContact O-N 3.13Å; Y11-P40 VanDerWaalsContact O-CB 3.28Å; Y11-P40 WeakPolarHBondContact O-CB 3.24Å; Y11-P40 WeakPolarHBondContact O-CG 3.49Å; Y11-A42 HydrophobicContact CD2-CB 4.2Å; Y11-A42 HydrophobicContact CG-CB 4.31Å; Y11-E43 HydrophobicContact CD2-CG 4.29Å; Y11-E43 HydrophobicContact CE2-CG 4.33Å; Y11-E43 WeakPolarHBondContact CE2-OE1 3.31Å
12E96.3Very high97.2Very high125 Ų12553.7 Ų53.758%0.58426%0.256SS*.THydrogen-bonded Turntrans-58.5-16.4-172.167.9176.8170.500116.4K102E12-K102 PolarHBondContact O-NZ 2.88Å; E12-K102 VanDerWaalsContact O-NZ 3.11Å
13W97.3Very high97.4Very high23 Ų2352.2 Ų52.29%0.08725%0.249CC..THydrogen-bonded Turntrans-87.8-10.7179.658.4-106.9000112.7Y11 A42 E43 L98 V100 N101 K102 L104Y11-W13 VanDerWaalsContact CB-NE1 3.28Å; Y11-W13 AromaticContact CD2-CE2 3.91Å; Y11-W13 AromaticContact CD2-CZ2 3.81Å; Y11-W13 HydrophobicContact CD2-CZ2 3.81Å; Y11-W13 AromaticContact CD2-NE1 3.63Å; Y11-W13 AromaticContact CG-NE1 3.83Å; Y11-W13 PolarHBondContact O-N 3.45Å; W13-A42 HydrophobicContact CD2-CB 4.02Å; W13-A42 HydrophobicContact CE3-CB 3.96Å; W13-A42 HydrophobicContact CH2-CB 3.55Å; W13-A42 VanDerWaalsContact CH2-O 3.3Å; W13-A42 WeakPolarHBondContact CH2-O 3.4Å; W13-A42 HydrophobicContact CZ2-CB 3.62Å; W13-A42 HydrophobicContact CZ3-CB 3.71Å; W13-E43 HydrophobicContact CH2-CG 3.53Å; W13-E43 HydrophobicContact CZ2-CG 3.58Å; W13-E43 WeakPolarHBondContact CZ2-OE1 3.24Å; W13-L98 HydrophobicContact CH2-CG 4.22Å; W13-V100 HydrophobicContact CE3-CB 4.49Å; W13-V100 HydrophobicContact CE3-CG1 4.44Å; W13-V100 HydrophobicContact CE3-CG2 4.35Å; W13-V100 HydrophobicContact CZ3-CB 4.36Å; W13-V100 HydrophobicContact CZ3-CG2 3.85Å; W13-N101 WeakPolarHBondContact O-CA 3.42Å; W13-N101 VanDerWaalsContact O-CB 3.28Å; W13-N101 WeakPolarHBondContact O-CB 3.34Å; W13-N101 PolarHBondContact O-N 3.31Å; W13-K102 HydrophobicContact CB-CB 4.02Å; W13-K102 PolarHBondContact O-N 2.91Å; W13-L104 HydrophobicContact CB-CD2 4.32Å; W13-L104 HydrophobicContact CD2-CD2 3.45Å; W13-L104 VanDerWaalsContact CD2-CD2 3.45Å; W13-L104 VanDerWaalsContact CE2-CD2 3.42Å; W13-L104 HydrophobicContact CE3-CD2 4.03Å; W13-L104 HydrophobicContact CG-CD2 3.56Å; W13-L104 HydrophobicContact CZ2-CD2 3.97Å
14G98.4Very high97.4Very high1 Ų149 Ų491%0.0124%0.242CC..BIsolated β-bridgetrans-68.8156.4-178.900000113.4Y11 S99 N101Y11-G14 PolarHBondContact O-N 3.13Å; G14-S99 VanDerWaalsContact CA-O 3.27Å; G14-S99 WeakPolarHBondContact CA-O 3.41Å; G14-N101 WeakPolarHBondContact O-CB 3.46Å
15K98.7Very high97.4Very high19 Ų1948.9 Ų48.98%0.08324%0.241CC..EExtended strand (participates in β ladder)trans-64.9151169.2-67.6-175.8-172.8169.20110.8E19 P40 Y41 S99 V100 N101 D292K15-E19 HydrophobicContact CB-CB 4.43Å; K15-E19 VanDerWaalsContact CD-O 3.26Å; K15-E19 WeakPolarHBondContact CD-O 3.43Å; K15-P40 CarbonylContact O-C 3.53Å; K15-P40 WeakPolarHBondContact O-CA 3.44Å; K15-Y41 PolarHBondContact O-N 2.82Å; K15-S99 WeakPolarHBondContact CD-OG 3.41Å; K15-S99 PolarHBondContact N-O 3.09Å; K15-V100 WeakPolarHBondContact CE-O 3.34Å; K15-N101 HydrophobicContact CB-CB 4.3Å; K15-N101 HydrophobicContact CG-CB 3.72Å; K15-D292 WeakPolarHBondContact CE-OD1 3.46Å; K15-D292 IonicContact NZ-OD1 3.02Å; K15-D292 PolarHBondContact NZ-OD1 3.4Å; K15-D292 IonicContact NZ-OD2 3.67Å; K15-D292 PolarHBondContact NZ-OD2 3.3Å
16L98.4Very high97.3Very high74 Ų7444.9 Ų44.939%0.38722%0.224SC..EExtended strand (participates in β ladder)trans-86.4133.9-174.2-59.4-177.3000111.2N18 E19 S39 P40L16-N18 PolarHBondContact O-N 3.05Å; L16-E19 WeakPolarHBondContact O-CB 3.4Å; L16-E19 PolarHBondContact O-N 3.03Å; L16-S39 WeakPolarHBondContact CA-O 3.23Å; L16-P40 HydrophobicContact CD2-CB 4.11Å
17G98Very high97.3Very high0 Ų045.6 Ų45.60%023%0.228CC..G310 helixtrans47.5-132.7171.300000113.8E19 S20 A23 S39G17-E19 PolarHBondContact O-N 3.2Å; G17-S20 VanDerWaalsContact O-CB 3.29Å; G17-S20 WeakPolarHBondContact O-CB 3.33Å; G17-S20 PolarHBondContact O-N 3.48Å; G17-A23 WeakPolarHBondContact O-CB 3.44Å; G17-S39 PolarHBondContact N-O 2.89Å
18N96.8Very high97.2Very high109 Ų10946.3 Ų46.358%0.58323%0.234SC*.G310 helixtrans-70.8-6.4-177.5-68.5-42000115L16 S20 T24L16-N18 PolarHBondContact O-N 3.05Å; N18-S20 PolarHBondContact O-N 2.93Å; N18-T24 WeakPolarHBondContact O-CG2 3.3Å
19E97.7Very high97Very high138 Ų13842.2 Ų42.265%0.64522%0.221SC*.G310 helixtrans-72.9-18.5167.6-59-176.7174.100111.6K15 L16 G17K15-E19 HydrophobicContact CB-CB 4.43Å; K15-E19 VanDerWaalsContact CD-O 3.26Å; K15-E19 WeakPolarHBondContact CD-O 3.43Å; L16-E19 WeakPolarHBondContact O-CB 3.4Å; L16-E19 PolarHBondContact O-N 3.03Å; G17-E19 PolarHBondContact O-N 3.2Å
20S98.6Very high96.6Very high1 Ų142.3 Ų42.31%0.00722%0.223CC..SBendtrans-80.4128.8177.3175.60000112.3G17 N18 V22 A23 T24 Y41 S99G17-S20 VanDerWaalsContact O-CB 3.29Å; G17-S20 WeakPolarHBondContact O-CB 3.33Å; G17-S20 PolarHBondContact O-N 3.48Å; N18-S20 PolarHBondContact O-N 2.93Å; S20-V22 PolarHBondContact O-N 2.98Å; S20-V22 WeakPolarHBondContact OG-CB 3.49Å; S20-V22 PolarHBondContact OG-N 3.47Å; S20-A23 PolarHBondContact O-N 2.91Å; S20-A23 PolarHBondContact OG-N 2.88Å; S20-T24 WeakPolarHBondContact O-CG2 3.28Å; S20-T24 PolarHBondContact O-N 3.11Å; S20-T24 PolarHBondContact O-OG1 3.31Å; S20-T24 VanDerWaalsContact O-OG1 3.11Å; S20-Y41 WeakPolarHBondContact OG-CB 3.45Å; S20-Y41 PolarHBondContact OG-O 2.92Å; S20-S99 VanDerWaalsContact CA-OG 3.3Å; S20-S99 WeakPolarHBondContact CA-OG 3.48Å; S20-S99 VanDerWaalsContact OG-CB 3.25Å; S20-S99 WeakPolarHBondContact OG-CB 3.38Å; S20-S99 PolarHBondContact OG-OG 3.49Å
21K98.1Very high96.2Very high57 Ų5747.5 Ų47.525%0.24824%0.242CC..Hα-helixtrans-62-31.5169.5-168.161.8166.5175.50111.4T24 M25 V97 S99 L139 D292 V381K21-T24 WeakPolarHBondContact CA-OG1 3.46Å; K21-T24 PolarHBondContact O-OG1 3.13Å; K21-T24 VanDerWaalsContact O-OG1 3.05Å; K21-M25 HydrophobicContact CD-CE 3.96Å; K21-M25 WeakPolarHBondContact O-CB 3.38Å; K21-M25 WeakPolarHBondContact O-CG 3.44Å; K21-M25 PolarHBondContact O-N 3.38Å; K21-V97 HydrophobicContact CB-CG1 4.44Å; K21-V97 HydrophobicContact CG-CG1 4.21Å; K21-S99 PolarHBondContact N-OG 3.2Å; K21-S99 VanDerWaalsContact N-OG 3.17Å; K21-L139 HydrophobicContact CG-CD1 4.14Å; K21-D292 HydrophobicContact CB-CB 3.82Å; K21-D292 HydrophobicContact CG-CB 4.31Å; K21-V381 PolarHBondContact NZ-O 3.15Å
22V98.4Very high95.9Very high0 Ų048.5 Ų48.50%026%0.26CS..Hα-helixtrans-64.5-50174.4169.80000110.5S20 T24 M25 L26 L44 V97S20-V22 PolarHBondContact O-N 2.98Å; S20-V22 WeakPolarHBondContact OG-CB 3.49Å; S20-V22 PolarHBondContact OG-N 3.47Å; V22-T24 PolarHBondContact O-N 3.3Å; V22-M25 PolarHBondContact O-N 3.41Å; V22-L26 HydrophobicContact CG1-CD1 3.77Å; V22-L26 HydrophobicContact CG1-CG 4.33Å; V22-L26 WeakPolarHBondContact O-CB 3.38Å; V22-L26 VanDerWaalsContact O-CG 3.31Å; V22-L26 WeakPolarHBondContact O-CG 3.17Å; V22-L26 PolarHBondContact O-N 2.91Å; V22-L44 HydrophobicContact CG1-CB 4.01Å; V22-L44 HydrophobicContact CG2-CB 4.13Å; V22-V97 HydrophobicContact CG2-CB 4.12Å; V22-V97 HydrophobicContact CG2-CG1 3.99Å; V22-V97 WeakPolarHBondContact CG2-O 3.4Å
23A97.9Very high95.7Very high0 Ų044.5 Ų44.50%024%0.242CC..Hα-helixtrans-62.3-43.1-179.400000112.9G17 S20 M25 L26 S27 I35 Y41G17-A23 WeakPolarHBondContact O-CB 3.44Å; S20-A23 PolarHBondContact O-N 2.91Å; S20-A23 PolarHBondContact OG-N 2.88Å; A23-M25 VanDerWaalsContact C-N 3.34Å; A23-M25 PolarHBondContact O-N 3.25Å; A23-L26 PolarHBondContact O-N 3.47Å; A23-S27 PolarHBondContact O-N 3.47Å; A23-S27 PolarHBondContact O-OG 3.09Å; A23-I35 HydrophobicContact CB-CD1 3.97Å; A23-I35 HydrophobicContact CB-CG1 4.31Å; A23-I35 HydrophobicContact CB-CG2 3.85Å; A23-I35 WeakPolarHBondContact O-CD1 3.44Å; A23-Y41 HydrophobicContact CB-CD1 4.16Å; A23-Y41 HydrophobicContact CB-CD2 3.83Å; A23-Y41 HydrophobicContact CB-CE2 4.38Å; A23-Y41 HydrophobicContact CB-CG 3.72Å
24T96.7Very high95.6Very high46 Ų4650.5 Ų50.528%0.28228%0.276SS..Hα-helixtrans-66-37177.953.30000111.7N18 S20 K21 V22 S27 A28N18-T24 WeakPolarHBondContact O-CG2 3.3Å; S20-T24 WeakPolarHBondContact O-CG2 3.28Å; S20-T24 PolarHBondContact O-N 3.11Å; S20-T24 PolarHBondContact O-OG1 3.31Å; S20-T24 VanDerWaalsContact O-OG1 3.11Å; K21-T24 WeakPolarHBondContact CA-OG1 3.46Å; K21-T24 PolarHBondContact O-OG1 3.13Å; K21-T24 VanDerWaalsContact O-OG1 3.05Å; V22-T24 PolarHBondContact O-N 3.3Å; T24-S27 PolarHBondContact O-OG 3.36Å; T24-A28 WeakPolarHBondContact O-CB 3.48Å; T24-A28 PolarHBondContact O-N 3Å; T24-A28 VanDerWaalsContact O-N 3.13Å
25M96.4Very high95.5Very high4 Ų451.2 Ų51.22%0.0228%0.279CS..Hα-helixtrans-67.5-43.5172.8-72.9-60139.800112.7K21 V22 A23 A28 G29 L44 V381 S397 G398K21-M25 HydrophobicContact CD-CE 3.96Å; K21-M25 WeakPolarHBondContact O-CB 3.38Å; K21-M25 WeakPolarHBondContact O-CG 3.44Å; K21-M25 PolarHBondContact O-N 3.38Å; V22-M25 PolarHBondContact O-N 3.41Å; A23-M25 VanDerWaalsContact C-N 3.34Å; A23-M25 PolarHBondContact O-N 3.25Å; M25-A28 PolarHBondContact O-N 3.04Å; M25-G29 PolarHBondContact O-N 3.45Å; M25-L44 HydrophobicContact CB-CD2 4.22Å; M25-V381 HydrophobicContact CE-CB 4.37Å; M25-V381 WeakPolarHBondContact CE-O 3.48Å; M25-S397 VanDerWaalsContact CE-OG 3.31Å; M25-S397 WeakPolarHBondContact CE-OG 3.21Å; M25-G398 WeakPolarHBondContact O-CA 3.43Å; M25-G398 PolarHBondContact SD-N 3.46Å; M25-G398 VanDerWaalsContact SD-N 3.42Å
26L95.8Very high95.5Very high13 Ų1353.5 Ų53.57%0.06829%0.293CS..Hα-helixtrans-58.3-53.6178.7-78.1168.1000111.6Y8 V22 A23 A28 G29 D30 I33 I35 Y41 L44Y8-L26 HydrophobicContact CD1-CD1 3.73Å; Y8-L26 HydrophobicContact CD1-CD2 3.66Å; Y8-L26 HydrophobicContact CD1-CG 4.37Å; Y8-L26 HydrophobicContact CD2-CD1 3.86Å; Y8-L26 HydrophobicContact CE1-CD1 4.28Å; Y8-L26 HydrophobicContact CE1-CD2 4.33Å; Y8-L26 HydrophobicContact CE2-CD1 4.4Å; Y8-L26 HydrophobicContact CG-CD1 3.5Å; Y8-L26 VanDerWaalsContact CG-CD1 3.5Å; Y8-L26 HydrophobicContact CG-CD2 4.15Å; Y8-L26 HydrophobicContact CG-CG 4.47Å; V22-L26 HydrophobicContact CG1-CD1 3.77Å; V22-L26 HydrophobicContact CG1-CG 4.33Å; V22-L26 WeakPolarHBondContact O-CB 3.38Å; V22-L26 VanDerWaalsContact O-CG 3.31Å; V22-L26 WeakPolarHBondContact O-CG 3.17Å; V22-L26 PolarHBondContact O-N 2.91Å; A23-L26 PolarHBondContact O-N 3.47Å; L26-A28 PolarHBondContact O-N 3.28Å; L26-G29 PolarHBondContact O-N 2.84Å; L26-D30 PolarHBondContact O-N 3.49Å; L26-I33 HydrophobicContact CB-CD1 4.38Å; L26-I33 HydrophobicContact CD2-CD1 4.12Å; L26-I35 HydrophobicContact CB-CD1 4.47Å; L26-Y41 HydrophobicContact CD1-CD1 3.95Å; L26-Y41 HydrophobicContact CD1-CE1 4.37Å; L26-L44 HydrophobicContact CD2-CD1 3.46Å; L26-L44 VanDerWaalsContact CD2-CD1 3.46Å; L26-L44 HydrophobicContact CG-CD1 3.96Å
27S95Very high95.4Very high34 Ų3454.3 Ų54.324%0.23830%0.302CS..Hα-helixtrans-68.1-32.6-178.453.30000113.4A23 T24A23-S27 PolarHBondContact O-N 3.47Å; A23-S27 PolarHBondContact O-OG 3.09Å; T24-S27 PolarHBondContact O-OG 3.36Å
28A93.9Very high95.4Very high42 Ų4262.7 Ų62.735%0.34734%0.339SS..Hα-helixtrans-69.7-36.1172.800000112.3T24 M25 L26 S397T24-A28 WeakPolarHBondContact O-CB 3.48Å; T24-A28 PolarHBondContact O-N 3Å; T24-A28 VanDerWaalsContact O-N 3.13Å; M25-A28 PolarHBondContact O-N 3.04Å; L26-A28 PolarHBondContact O-N 3.28Å; A28-S397 WeakPolarHBondContact CB-O 3.36Å
29G92.4Very high95.5Very high12 Ų1259.2 Ų59.212%0.12432%0.323CS..Hα-helixtrans-83-26.6-179.300000114.9R3 M25 L26 G398R3-G29 PolarHBondContact NH2-O 3.42Å; M25-G29 PolarHBondContact O-N 3.45Å; L26-G29 PolarHBondContact O-N 2.84Å; G29-G398 WeakPolarHBondContact CA-O 3.31Å
30D90.4Very high95.5Very high39 Ų3953.9 Ų53.921%0.20930%0.3CS..  trans-145.298.6176.5-169.2-22000109.4K5 L26 S32 I33K5-D30 WeakPolarHBondContact CE-OD2 3.38Å; K5-D30 IonicContact NZ-OD2 2.67Å; K5-D30 PolarHBondContact NZ-OD2 3.32Å; L26-D30 PolarHBondContact O-N 3.49Å; D30-S32 PolarHBondContact O-N 3.08Å; D30-S32 WeakPolarHBondContact OD1-CB 3.5Å; D30-S32 PolarHBondContact OD1-N 3.31Å; D30-S32 VanDerWaalsContact OD1-N 3.08Å; D30-S32 PolarHBondContact OD1-OG 3.34Å; D30-I33 HydrophobicContact CB-CD1 3.85Å; D30-I33 HydrophobicContact CB-CG1 4.01Å; D30-I33 WeakPolarHBondContact O-CB 3.29Å; D30-I33 PolarHBondContact O-N 2.97Å
31Q88.2Confident95.5Very high185 Ų18554.4 Ų54.486%0.86430%0.302SS*.THydrogen-bonded Turntrans-65.1-9-177.3-66.7-176.7-13.100113.7I33Q31-I33 VanDerWaalsContact C-N 3.29Å
32S90.6Very high95.6Very high97 Ų9751.7 Ų51.768%0.67829%0.29SS*.THydrogen-bonded Turntrans-77.6-15.7172.472.30000113.2D30 N34D30-S32 PolarHBondContact O-N 3.08Å; D30-S32 WeakPolarHBondContact OD1-CB 3.5Å; D30-S32 PolarHBondContact OD1-N 3.31Å; D30-S32 VanDerWaalsContact OD1-N 3.08Å; D30-S32 PolarHBondContact OD1-OG 3.34Å; S32-N34 PolarHBondContact O-N 2.93Å
33I92.5Very high95.6Very high40 Ų4052.7 Ų52.721%0.20530%0.295CS..  trans-83115.8179.8-58.9179.5000109.5L26 D30 Q31 I35L26-I33 HydrophobicContact CB-CD1 4.38Å; L26-I33 HydrophobicContact CD2-CD1 4.12Å; D30-I33 HydrophobicContact CB-CD1 3.85Å; D30-I33 HydrophobicContact CB-CG1 4.01Å; D30-I33 WeakPolarHBondContact O-CB 3.29Å; D30-I33 PolarHBondContact O-N 2.97Å; Q31-I33 VanDerWaalsContact C-N 3.29Å; I33-I35 HydrophobicContact CG2-CD1 4.01Å
34N94.5Very high95.6Very high149 Ų14952.8 Ų52.880%0.79730%0.295SS*.  trans-89.9125.6172.6-168.414.4000110.7S32S32-N34 PolarHBondContact O-N 2.93Å
35I97.4Very high95.7Very high16 Ų1651 Ų518%0.08228%0.283CS..  trans-87.7114.5-178.3-57.7-56.5000109.9A23 L26 I33 P37 Y41A23-I35 HydrophobicContact CB-CD1 3.97Å; A23-I35 HydrophobicContact CB-CG1 4.31Å; A23-I35 HydrophobicContact CB-CG2 3.85Å; A23-I35 WeakPolarHBondContact O-CD1 3.44Å; L26-I35 HydrophobicContact CB-CD1 4.47Å; I33-I35 HydrophobicContact CG2-CD1 4.01Å; I35-P37 WeakPolarHBondContact O-CD 3.37Å; I35-Y41 HydrophobicContact CD1-CE1 4.05Å; I35-Y41 HydrophobicContact CG2-CE2 3.85Å
36D97.6Very high95.7Very high68 Ų6850.8 Ų50.836%0.36428%0.282SS..  trans-70.1117.9167.8173.812.5000110.8K38 S39 Y41D36-K38 PolarHBondContact O-N 3.4Å; D36-K38 VanDerWaalsContact O-N 3.16Å; D36-K38 PolarHBondContact OD1-N 2.9Å; D36-S39 PolarHBondContact O-N 3.29Å; D36-S39 WeakPolarHBondContact OD2-CB 3.36Å; D36-S39 PolarHBondContact OD2-N 3.4Å; D36-S39 PolarHBondContact OD2-OG 3.47Å; D36-Y41 PolarHBondContact N-OH 3.33Å; D36-Y41 VanDerWaalsContact N-OH 3.15Å
37P97.6Very high95.8Very high90 Ų9050.1 Ų50.158%0.58428%0.279SS*.THydrogen-bonded Turntrans-63.6-18.3-179.926.7-35.5000114.4I35I35-P37 WeakPolarHBondContact O-CD 3.37Å
38K97.6Very high95.9Very high177 Ų17748.6 Ų48.677%0.7727%0.268SS*.THydrogen-bonded Turntrans-97.4-12.5-179.2-63.2-178.4-178.2178.90113.7D36D36-K38 PolarHBondContact O-N 3.4Å; D36-K38 VanDerWaalsContact O-N 3.16Å; D36-K38 PolarHBondContact OD1-N 2.9Å
39S98.1Very high96Very high36 Ų3647.2 Ų47.225%0.25226%0.255SS..SBendtrans-87141.7-179.5-760000111.1L16 G17 D36 Y41L16-S39 WeakPolarHBondContact CA-O 3.23Å; G17-S39 PolarHBondContact N-O 2.89Å; D36-S39 PolarHBondContact O-N 3.29Å; D36-S39 WeakPolarHBondContact OD2-CB 3.36Å; D36-S39 PolarHBondContact OD2-N 3.4Å; D36-S39 PolarHBondContact OD2-OG 3.47Å; S39-Y41 WeakPolarHBondContact O-CD2 3.48Å; S39-Y41 WeakPolarHBondContact O-CE2 3.36Å
40P98.4Very high96Very high26 Ų2652.1 Ų52.117%0.16928%0.284CS..EExtended strand (participates in β ladder)trans-76.6142.5171.432.5-34.3000110.7T10 Y11 K15 L16T10-P40 WeakPolarHBondContact CA-O 3.33Å; T10-P40 WeakPolarHBondContact CB-O 3.19Å; T10-P40 WeakPolarHBondContact CG2-O 3.25Å; T10-P40 WeakPolarHBondContact O-CG 3.49Å; Y11-P40 VanDerWaalsContact O-CB 3.28Å; Y11-P40 WeakPolarHBondContact O-CB 3.24Å; Y11-P40 WeakPolarHBondContact O-CG 3.49Å; K15-P40 CarbonylContact O-C 3.53Å; K15-P40 WeakPolarHBondContact O-CA 3.44Å; L16-P40 HydrophobicContact CD2-CB 4.11Å
41Y98.6Very high96Very high12 Ų1256.5 Ų56.55%0.04730%0.301CS..EExtended strand (participates in β ladder)trans-124.9103.7172.2-67.7-99000107.8Y8 K15 S20 A23 L26 I35 D36 S39Y8-Y41 HydrophobicContact CD2-CD1 4.16Å; Y8-Y41 HydrophobicContact CD2-CE1 4.35Å; Y8-Y41 HydrophobicContact CE2-CD1 4.29Å; Y8-Y41 HydrophobicContact CE2-CE1 4.02Å; K15-Y41 PolarHBondContact O-N 2.82Å; S20-Y41 WeakPolarHBondContact OG-CB 3.45Å; S20-Y41 PolarHBondContact OG-O 2.92Å; A23-Y41 HydrophobicContact CB-CD1 4.16Å; A23-Y41 HydrophobicContact CB-CD2 3.83Å; A23-Y41 HydrophobicContact CB-CE2 4.38Å; A23-Y41 HydrophobicContact CB-CG 3.72Å; L26-Y41 HydrophobicContact CD1-CD1 3.95Å; L26-Y41 HydrophobicContact CD1-CE1 4.37Å; I35-Y41 HydrophobicContact CD1-CE1 4.05Å; I35-Y41 HydrophobicContact CG2-CE2 3.85Å; D36-Y41 PolarHBondContact N-OH 3.33Å; D36-Y41 VanDerWaalsContact N-OH 3.15Å; S39-Y41 WeakPolarHBondContact O-CD2 3.48Å; S39-Y41 WeakPolarHBondContact O-CE2 3.36Å
42A98.6Very high96.3Very high0 Ų048 Ų480%026%0.263CS..  trans-100.9-50.4-161.400000112.2Q9 Y11 W13 L98 S99Q9-A42 WeakPolarHBondContact O-CB 3.36Å; Q9-A42 PolarHBondContact O-N 3.34Å; Y11-A42 HydrophobicContact CD2-CB 4.2Å; Y11-A42 HydrophobicContact CG-CB 4.31Å; W13-A42 HydrophobicContact CD2-CB 4.02Å; W13-A42 HydrophobicContact CE3-CB 3.96Å; W13-A42 HydrophobicContact CH2-CB 3.55Å; W13-A42 VanDerWaalsContact CH2-O 3.3Å; W13-A42 WeakPolarHBondContact CH2-O 3.4Å; W13-A42 HydrophobicContact CZ2-CB 3.62Å; W13-A42 HydrophobicContact CZ3-CB 3.71Å; A42-L98 WeakPolarHBondContact O-CA 3.23Å; A42-S99 PolarHBondContact O-N 2.87Å
43E98.6Very high96.5Very high21 Ų2144.2 Ų44.210%0.09824%0.237CC..EExtended strand (participates in β ladder)trans-132.4141.8-177.7-54.5-174.4-152.700111.4Y8 Q9 Y11 W13 W45 K96 V97 L98Y8-E43 CarbonylContact C-O 3.56Å; Y8-E43 WeakPolarHBondContact CA-O 3.44Å; Y8-E43 WeakPolarHBondContact CB-O 3.46Å; Q9-E43 HydrophobicContact CB-CB 4.12Å; Q9-E43 HydrophobicContact CG-CB 4.31Å; Q9-E43 PolarHBondContact N-O 2.85Å; Q9-E43 PolarHBondContact O-N 3.49Å; Y11-E43 HydrophobicContact CD2-CG 4.29Å; Y11-E43 HydrophobicContact CE2-CG 4.33Å; Y11-E43 WeakPolarHBondContact CE2-OE1 3.31Å; W13-E43 HydrophobicContact CH2-CG 3.53Å; W13-E43 HydrophobicContact CZ2-CG 3.58Å; W13-E43 WeakPolarHBondContact CZ2-OE1 3.24Å; E43-W45 VanDerWaalsContact OE2-CE2 3.29Å; E43-W45 WeakPolarHBondContact OE2-CZ2 3.32Å; E43-W45 PolarHBondContact OE2-NE1 3.35Å; E43-K96 WeakPolarHBondContact OE2-CD 3.48Å; E43-K96 WeakPolarHBondContact OE2-CE 3.42Å; E43-K96 IonicContact OE2-NZ 3.7Å; E43-K96 PolarHBondContact OE2-NZ 3.11Å; E43-V97 CarbonylContact C-O 3.54Å; E43-V97 VanDerWaalsContact CA-O 3.3Å; E43-V97 WeakPolarHBondContact CA-O 3.32Å; E43-L98 HydrophobicContact CG-CD1 4.43Å; E43-L98 HydrophobicContact CG-CG 4.22Å
44L98.3Very high96.8Very high1 Ų142.3 Ų42.31%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-111.1125.2165.2-174.763.2000108.3A6 V22 M25 L26 K96 V97 I400A6-L44 HydrophobicContact CB-CD1 3.72Å; A6-L44 HydrophobicContact CB-CG 4.15Å; V22-L44 HydrophobicContact CG1-CB 4.01Å; V22-L44 HydrophobicContact CG2-CB 4.13Å; M25-L44 HydrophobicContact CB-CD2 4.22Å; L26-L44 HydrophobicContact CD2-CD1 3.46Å; L26-L44 VanDerWaalsContact CD2-CD1 3.46Å; L26-L44 HydrophobicContact CG-CD1 3.96Å; L44-K96 CarbonylContact O-C 3.53Å; L44-K96 WeakPolarHBondContact O-CA 3.46Å; L44-K96 VanDerWaalsContact O-CB 3.32Å; L44-K96 WeakPolarHBondContact O-CB 3.42Å; L44-V97 HydrophobicContact CB-CB 3.97Å; L44-V97 HydrophobicContact CB-CG2 4.3Å; L44-V97 HydrophobicContact CD2-CG2 4.08Å; L44-V97 PolarHBondContact N-O 3.43Å; L44-V97 PolarHBondContact O-N 3.28Å; L44-V97 VanDerWaalsContact O-N 3.08Å; L44-I400 HydrophobicContact CD2-CD1 4Å; L44-I400 HydrophobicContact CG-CD1 4.43Å
45W98.3Very high96.9Very high8 Ų838.1 Ų38.13%0.0321%0.205CC..EExtended strand (participates in β ladder)trans-112.1121.9-170-73.632.7000111.4A6 A7 Q9 E43 H49 K51 L94A6-W45 WeakPolarHBondContact CA-O 3.37Å; A6-W45 WeakPolarHBondContact CB-O 3.48Å; A7-W45 HydrophobicContact CB-CB 4.31Å; A7-W45 PolarHBondContact N-O 2.85Å; A7-W45 PolarHBondContact O-N 3.02Å; Q9-W45 HydrophobicContact CG-CZ2 4.33Å; E43-W45 VanDerWaalsContact OE2-CE2 3.29Å; E43-W45 WeakPolarHBondContact OE2-CZ2 3.32Å; E43-W45 PolarHBondContact OE2-NE1 3.35Å; W45-H49 HydrophobicContact CE3-CB 4.31Å; W45-H49 HydrophobicContact CZ3-CB 4.25Å; W45-H49 AromaticContact CZ3-CG 3.87Å; W45-H49 AromaticContact CZ3-ND1 3.48Å; W45-H49 WeakPolarHBondContact CZ3-ND1 3.46Å; W45-K51 HydrophobicContact CH2-CB 4.44Å; W45-K51 HydrophobicContact CZ3-CB 4Å; W45-L94 HydrophobicContact CB-CD1 4.35Å; W45-L94 HydrophobicContact CD2-CD2 4.07Å; W45-L94 HydrophobicContact CE3-CD1 4.3Å; W45-L94 HydrophobicContact CE3-CD2 3.73Å; W45-L94 HydrophobicContact CH2-CD2 4.26Å; W45-L94 HydrophobicContact CZ3-CD2 3.84Å
46M98.4Very high96.9Very high0 Ų037.5 Ų37.50%020%0.201CC..EExtended strand (participates in β ladder)trans-127116.7-177.5-56.7157.4-77.200109.7A6 S54 F95 V97 I377 L379 I400A6-M46 HydrophobicContact CB-CG 3.9Å; M46-S54 WeakPolarHBondContact CA-OG 3.4Å; M46-F95 WeakPolarHBondContact CA-O 3.49Å; M46-F95 HydrophobicContact CB-CB 4.32Å; M46-F95 HydrophobicContact CB-CD1 4.3Å; M46-F95 HydrophobicContact CE-CD1 3.57Å; M46-F95 HydrophobicContact CE-CE1 3.95Å; M46-F95 HydrophobicContact CE-CG 4.13Å; M46-F95 WeakPolarHBondContact CE-O 3.45Å; M46-F95 PolarHBondContact N-O 3.47Å; M46-F95 WeakPolarHBondContact O-CB 3.39Å; M46-F95 PolarHBondContact O-N 3.25Å; M46-F95 VanDerWaalsContact O-O 3.13Å; M46-F95 HydrophobicContact SD-CD1 3.9Å; M46-F95 HydrophobicContact SD-CE1 4.23Å; M46-V97 HydrophobicContact CE-CG2 4.13Å; M46-I377 HydrophobicContact CB-CG2 3.77Å; M46-L379 HydrophobicContact CE-CD2 4.11Å; M46-L379 HydrophobicContact SD-CB 4.07Å; M46-L379 HydrophobicContact SD-CD1 4.24Å; M46-L379 HydrophobicContact SD-CD2 4.11Å; M46-L379 HydrophobicContact SD-CG 4.36Å; M46-I400 HydrophobicContact CB-CG2 4.41Å; M46-I400 HydrophobicContact CG-CD1 4.03Å; M46-I400 HydrophobicContact CG-CG2 3.81Å; M46-I400 HydrophobicContact SD-CD1 4.05Å; M46-I400 HydrophobicContact SD-CG1 4.19Å; M46-I400 HydrophobicContact SD-CG2 4.01Å
47G97.8Very high96.9Very high0 Ų035.6 Ų35.60%020%0.195CC..SBendtrans144.2-155.2-174.200000111.8S54G47-S54 PolarHBondContact N-OG 3.4Å; G47-S54 VanDerWaalsContact N-OG 3.08Å; G47-S54 WeakPolarHBondContact O-CB 3.44Å; G47-S54 PolarHBondContact O-N 2.93Å; G47-S54 PolarHBondContact O-OG 3.06Å
48T97.2Very high96.7Very high2 Ų236.4 Ų36.41%0.01220%0.203CC..  trans-114.39.9-172580000113.6L63 L67 D90 L91T48-L63 HydrophobicContact CG2-CB 4.29Å; T48-L63 HydrophobicContact CG2-CD2 4.1Å; T48-L63 HydrophobicContact CG2-CG 4Å; T48-L67 HydrophobicContact CG2-CD1 4.16Å; T48-D90 WeakPolarHBondContact OG1-CA 3.49Å; T48-D90 PolarHBondContact OG1-OD1 3.49Å; T48-L91 HydrophobicContact CG2-CB 4.47Å; T48-L91 HydrophobicContact CG2-CD1 4.19Å; T48-L91 HydrophobicContact CG2-CG 3.96Å; T48-L91 PolarHBondContact OG1-N 3.33Å
49H95.5Very high96.7Very high13 Ų1332.3 Ų32.36%0.0619%0.193CC..  trans-58.5132.3-174.6-169.1-78.5000112W45 K51 G52 S53 L94 D301W45-H49 HydrophobicContact CE3-CB 4.31Å; W45-H49 HydrophobicContact CZ3-CB 4.25Å; W45-H49 AromaticContact CZ3-CG 3.87Å; W45-H49 AromaticContact CZ3-ND1 3.48Å; W45-H49 WeakPolarHBondContact CZ3-ND1 3.46Å; H49-K51 VanDerWaalsContact C-N 3.29Å; H49-K51 PolarHBondContact ND1-N 2.85Å; H49-K51 PolarHBondContact O-N 2.66Å; H49-K51 VanDerWaalsContact O-N 3.1Å; H49-G52 CarbonylContact O-C 3.47Å; H49-G52 PolarHBondContact O-N 3.3Å; H49-S53 WeakPolarHBondContact O-CA 3.49Å; H49-S53 PolarHBondContact O-N 3.44Å; H49-L94 HydrophobicContact CB-CD1 4.01Å; H49-L94 HydrophobicContact CB-CD2 3.97Å; H49-L94 HydrophobicContact CB-CG 4.48Å; H49-D301 IonicContact CE1-OD1 3.36Å; H49-D301 IonicContact CE1-OD2 2.94Å; H49-D301 PolarHBondContact CE1-OD2 3.48Å; H49-D301 IonicContact NE2-OD1 2.76Å; H49-D301 IonicContact NE2-OD2 3.47Å
50P91.9Very high96.6Very high114 Ų11432.8 Ų32.874%0.7420%0.203SC*.THydrogen-bonded Turntrans-55-37.3-172.4-29.834.9000115.3G52P50-G52 VanDerWaalsContact C-N 3.26Å; P50-G52 PolarHBondContact O-N 3.48Å
51K91.4Very high96.6Very high131 Ų13134.5 Ų34.557%0.5721%0.209SC*.THydrogen-bonded Turntrans-72.9-10.1178.1-66.7179.8178.5161.50115.1W45 H49 D301W45-K51 HydrophobicContact CH2-CB 4.44Å; W45-K51 HydrophobicContact CZ3-CB 4Å; H49-K51 VanDerWaalsContact C-N 3.29Å; H49-K51 PolarHBondContact ND1-N 2.85Å; H49-K51 PolarHBondContact O-N 2.66Å; H49-K51 VanDerWaalsContact O-N 3.1Å; K51-D301 WeakPolarHBondContact CD-OD2 2.98Å; K51-D301 VanDerWaalsContact CE-OD2 3.25Å; K51-D301 WeakPolarHBondContact CE-OD2 3.24Å; K51-D301 IonicContact NZ-OD1 2.87Å; K51-D301 IonicContact NZ-OD2 3.44Å; K51-D301 PolarHBondContact NZ-OD2 3.25Å
52G92.9Very high96.5Very high6 Ų638.4 Ų38.46%0.06223%0.228CC..SBendtrans-168.549.9-172.800000112.5H49 P50H49-G52 CarbonylContact O-C 3.47Å; H49-G52 PolarHBondContact O-N 3.3Å; P50-G52 VanDerWaalsContact C-N 3.26Å; P50-G52 PolarHBondContact O-N 3.48Å
53S95.4Very high96.5Very high18 Ų1838.4 Ų38.413%0.12623%0.228CC..  trans-67136.9179.7179.80000109.9H49H49-S53 WeakPolarHBondContact O-CA 3.49Å; H49-S53 PolarHBondContact O-N 3.44Å
54S98Very high96.4Very high0 Ų037.5 Ų37.50%022%0.224CC..  trans-65.1154.1167.8-62.20000110.8K5 M46 G47 L63K5-S54 CarbonylContact O-C 3.52Å; K5-S54 VanDerWaalsContact O-CA 3.29Å; K5-S54 WeakPolarHBondContact O-CA 3.37Å; M46-S54 WeakPolarHBondContact CA-OG 3.4Å; G47-S54 PolarHBondContact N-OG 3.4Å; G47-S54 VanDerWaalsContact N-OG 3.08Å; G47-S54 WeakPolarHBondContact O-CB 3.44Å; G47-S54 PolarHBondContact O-N 2.93Å; G47-S54 PolarHBondContact O-OG 3.06Å; S54-L63 VanDerWaalsContact O-CB 3.27Å; S54-L63 WeakPolarHBondContact O-CB 3.42Å; S54-L63 PolarHBondContact O-N 3.45Å
55L97.9Very high96.3Very high62 Ų6238.5 Ų38.533%0.32523%0.232SC..EExtended strand (participates in β ladder)trans-116.2148.3176.9-52.9178.9000110.2L4 K5 A57 Q61 Q62L4-L55 CarbonylContact C-O 3.51Å; L4-L55 VanDerWaalsContact CA-O 3.26Å; L4-L55 WeakPolarHBondContact CA-O 3.33Å; K5-L55 HydrophobicContact CB-CB 4.41Å; K5-L55 PolarHBondContact N-O 3.33Å; K5-L55 PolarHBondContact O-N 2.98Å; L55-A57 PolarHBondContact O-N 3.43Å; L55-Q61 CarbonylContact C-O 3.52Å; L55-Q61 VanDerWaalsContact CA-O 3.28Å; L55-Q61 WeakPolarHBondContact CA-O 3.39Å; L55-Q62 HydrophobicContact CD2-CB 4.42Å; L55-Q62 HydrophobicContact CD2-CG 3.86Å
56I97.9Very high96.3Very high2 Ų239.1 Ų39.11%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-67121166.3-55.6-55.4000108.3I2 L4 S58 T59 G60 Q61 L63 W66I2-I56 HydrophobicContact CG2-CD1 4.09Å; I2-I56 HydrophobicContact CG2-CG2 4Å; L4-I56 HydrophobicContact CD2-CD1 3.72Å; I56-S58 VanDerWaalsContact C-N 3.27Å; I56-S58 PolarHBondContact O-N 2.89Å; I56-T59 WeakPolarHBondContact CB-OG1 3.46Å; I56-T59 PolarHBondContact O-N 3.4Å; I56-G60 WeakPolarHBondContact O-CA 3.08Å; I56-G60 PolarHBondContact O-N 3.32Å; I56-Q61 HydrophobicContact CG1-CB 4.49Å; I56-Q61 PolarHBondContact N-O 3.26Å; I56-L63 HydrophobicContact CD1-CD1 3.91Å; I56-W66 HydrophobicContact CD1-CB 4.04Å; I56-W66 HydrophobicContact CD1-CD2 3.86Å; I56-W66 HydrophobicContact CD1-CE3 4.27Å; I56-W66 HydrophobicContact CD1-CG 3.73Å; I56-W66 HydrophobicContact CG1-CB 3.77Å; I56-W66 HydrophobicContact CG1-CD2 4.14Å; I56-W66 HydrophobicContact CG1-CG 3.53Å
57A95.7Very high96.2Very high29 Ų2939.1 Ų39.124%0.2424%0.235CC..THydrogen-bonded Turntrans-64-30.9-168.800000113.8R3 K5 L55R3-A57 HydrophobicContact CB-CB 3.98Å; R3-A57 HydrophobicContact CG-CB 3.88Å; R3-A57 VanDerWaalsContact O-CB 3.27Å; R3-A57 WeakPolarHBondContact O-CB 3.34Å; R3-A57 PolarHBondContact O-N 2.95Å; K5-A57 HydrophobicContact CG-CB 3.99Å; L55-A57 PolarHBondContact O-N 3.43Å
58S95.2Very high96.2Very high107 Ų10739.8 Ų39.875%0.74824%0.24SC*.THydrogen-bonded Turntrans-80.5-28.2-178.151.70000114I56I56-S58 VanDerWaalsContact C-N 3.27Å; I56-S58 PolarHBondContact O-N 2.89Å
59T96.7Very high96.1Very high91 Ų9144.5 Ų44.556%0.55827%0.265SS*.THydrogen-bonded Turntrans-116.7-19.8-173640000113.6I56 Q61I56-T59 WeakPolarHBondContact CB-OG1 3.46Å; I56-T59 PolarHBondContact O-N 3.4Å; T59-Q61 PolarHBondContact O-N 3.11Å; T59-Q61 WeakPolarHBondContact OG1-CB 3.37Å; T59-Q61 PolarHBondContact OG1-N 3.18Å
60G96.3Very high96.1Very high45 Ų4546.9 Ų46.946%0.46428%0.276SS..  trans72.74.2-171.400000114.2I56I56-G60 WeakPolarHBondContact O-CA 3.08Å; I56-G60 PolarHBondContact O-N 3.32Å
61Q97.2Very high96.2Very high63 Ų6343.9 Ų43.929%0.29426%0.255SS..  trans-65.9141.3176.9-172.6176.61.400110.4L55 I56 T59 L63 W66 D69L55-Q61 CarbonylContact C-O 3.52Å; L55-Q61 VanDerWaalsContact CA-O 3.28Å; L55-Q61 WeakPolarHBondContact CA-O 3.39Å; I56-Q61 HydrophobicContact CG1-CB 4.49Å; I56-Q61 PolarHBondContact N-O 3.26Å; T59-Q61 PolarHBondContact O-N 3.11Å; T59-Q61 WeakPolarHBondContact OG1-CB 3.37Å; T59-Q61 PolarHBondContact OG1-N 3.18Å; Q61-L63 PolarHBondContact O-N 2.99Å; Q61-W66 HydrophobicContact CG-CB 4.28Å; Q61-W66 VanDerWaalsContact OE1-CD1 3.29Å; Q61-D69 PolarHBondContact NE2-OD2 3.09Å; Q61-D69 VanDerWaalsContact NE2-OD2 3.17Å
62Q97.3Very high96.3Very high93 Ų9342.5 Ų42.544%0.43526%0.262SS..BIsolated β-bridgetrans-60.4136.7171.7-71.9-176-4.300110.9L55 S64 A65 W66L55-Q62 HydrophobicContact CD2-CB 4.42Å; L55-Q62 HydrophobicContact CD2-CG 3.86Å; Q62-S64 VanDerWaalsContact C-N 3.27Å; Q62-S64 PolarHBondContact O-N 3.41Å; Q62-A65 PolarHBondContact O-N 3.42Å; Q62-W66 PolarHBondContact O-N 3.15Å
63L98Very high96.5Very high0 Ų046 Ų460%027%0.274CS..Hα-helixtrans-58-40.2-179.4178.761.8000111.9L4 T48 S54 I56 Q61 A65 W66 L67 L91 I377 L402L4-L63 HydrophobicContact CD1-CD2 4.09Å; L4-L63 HydrophobicContact CD2-CD1 3.98Å; T48-L63 HydrophobicContact CG2-CB 4.29Å; T48-L63 HydrophobicContact CG2-CD2 4.1Å; T48-L63 HydrophobicContact CG2-CG 4Å; S54-L63 VanDerWaalsContact O-CB 3.27Å; S54-L63 WeakPolarHBondContact O-CB 3.42Å; S54-L63 PolarHBondContact O-N 3.45Å; I56-L63 HydrophobicContact CD1-CD1 3.91Å; Q61-L63 PolarHBondContact O-N 2.99Å; L63-A65 PolarHBondContact O-N 3.47Å; L63-W66 PolarHBondContact O-N 2.96Å; L63-L67 HydrophobicContact CD1-CD1 3.96Å; L63-L67 HydrophobicContact CD1-CD2 4.14Å; L63-L67 HydrophobicContact CD1-CG 3.8Å; L63-L67 HydrophobicContact CD2-CD1 4.44Å; L63-L67 HydrophobicContact CG-CD1 3.81Å; L63-L67 HydrophobicContact CG-CG 4.13Å; L63-L67 WeakPolarHBondContact O-CB 3.33Å; L63-L67 VanDerWaalsContact O-CG 3.26Å; L63-L67 WeakPolarHBondContact O-CG 3.21Å; L63-L67 PolarHBondContact O-N 3.32Å; L63-L91 HydrophobicContact CD2-CD1 4.49Å; L63-I377 HydrophobicContact CD2-CD1 3.9Å; L63-L402 HydrophobicContact CD1-CD2 4.23Å
64S97.2Very high96.4Very high3 Ų345.2 Ų45.22%0.02127%0.268CS..Hα-helixtrans-58.1-48.4-179.853.90000112.8Q62 A68 L89Q62-S64 VanDerWaalsContact C-N 3.27Å; Q62-S64 PolarHBondContact O-N 3.41Å; S64-A68 PolarHBondContact O-N 2.96Å; S64-L89 VanDerWaalsContact CA-O 3.31Å; S64-L89 WeakPolarHBondContact CA-O 3.28Å; S64-L89 WeakPolarHBondContact CB-O 3.38Å; S64-L89 PolarHBondContact O-N 3.08Å
65A96.7Very high96.3Very high22 Ų2245.6 Ų45.618%0.18227%0.273CS..Hα-helixtrans-66.4-43175.900000111.4Q62 L63 L67 A68 D69Q62-A65 PolarHBondContact O-N 3.42Å; L63-A65 PolarHBondContact O-N 3.47Å; A65-L67 VanDerWaalsContact C-N 3.34Å; A65-L67 PolarHBondContact O-N 3.21Å; A65-A68 PolarHBondContact O-N 3.39Å; A65-D69 PolarHBondContact O-N 3.41Å; A65-D69 VanDerWaalsContact O-N 3.07Å
66W97.4Very high96Very high21 Ų2148.9 Ų48.98%0.0829%0.287CS..Hα-helixtrans-61.3-42.1-180-17093000112I2 I56 Q61 Q62 L63 A68 D69 H70 Y73 L402I2-W66 HydrophobicContact CD1-CH2 3.11Å; I2-W66 HydrophobicContact CD1-CZ2 3.35Å; I2-W66 HydrophobicContact CD1-CZ3 3.85Å; I56-W66 HydrophobicContact CD1-CB 4.04Å; I56-W66 HydrophobicContact CD1-CD2 3.86Å; I56-W66 HydrophobicContact CD1-CE3 4.27Å; I56-W66 HydrophobicContact CD1-CG 3.73Å; I56-W66 HydrophobicContact CG1-CB 3.77Å; I56-W66 HydrophobicContact CG1-CD2 4.14Å; I56-W66 HydrophobicContact CG1-CG 3.53Å; Q61-W66 HydrophobicContact CG-CB 4.28Å; Q61-W66 VanDerWaalsContact OE1-CD1 3.29Å; Q62-W66 PolarHBondContact O-N 3.15Å; L63-W66 PolarHBondContact O-N 2.96Å; W66-A68 VanDerWaalsContact C-N 3.35Å; W66-A68 PolarHBondContact O-N 2.82Å; W66-D69 PolarHBondContact O-N 2.93Å; W66-H70 AromaticContact CD1-CE1 3.7Å; W66-H70 AromaticContact CD1-ND1 3.83Å; W66-H70 HydrophobicContact CD2-CB 4.36Å; W66-H70 AromaticContact CD2-CG 3.97Å; W66-H70 AromaticContact CD2-ND1 3.53Å; W66-H70 AromaticContact CE2-CD2 3.88Å; W66-H70 AromaticContact CE2-CE1 3.46Å; W66-H70 VanDerWaalsContact CE2-CE1 3.46Å; W66-H70 AromaticContact CE2-CG 3.62Å; W66-H70 AromaticContact CE2-ND1 3.33Å; W66-H70 VanDerWaalsContact CE2-ND1 3.33Å; W66-H70 AromaticContact CE2-NE2 3.78Å; W66-H70 HydrophobicContact CE3-CB 4.01Å; W66-H70 AromaticContact CG-ND1 3.85Å; W66-H70 HydrophobicContact CH2-CB 3.55Å; W66-H70 AromaticContact CH2-CD2 3.82Å; W66-H70 AromaticContact CH2-CG 3.55Å; W66-H70 HydrophobicContact CZ2-CB 3.98Å; W66-H70 AromaticContact CZ2-CD2 3.42Å; W66-H70 VanDerWaalsContact CZ2-CD2 3.42Å; W66-H70 WeakPolarHBondContact CZ2-CD2 3.17Å; W66-H70 AromaticContact CZ2-CE1 3.82Å; W66-H70 AromaticContact CZ2-CG 3.42Å; W66-H70 VanDerWaalsContact CZ2-CG 3.42Å; W66-H70 AromaticContact CZ2-ND1 3.66Å; W66-H70 AromaticContact CZ2-NE2 3.67Å; W66-H70 HydrophobicContact CZ3-CB 3.59Å; W66-H70 AromaticContact CZ3-CG 3.93Å; W66-H70 AromaticContact NE1-CE1 3.26Å; W66-H70 PolarHBondContact NE1-CE1 2.87Å; W66-H70 VanDerWaalsContact NE1-CE1 3.26Å; W66-H70 AromaticContact NE1-ND1 3.56Å; W66-H70 AromaticContact NE1-NE2 3.75Å; W66-H70 WeakPolarHBondContact O-CB 3.28Å; W66-H70 PolarHBondContact O-N 3.39Å; W66-H70 PolarHBondContact O-ND1 2.93Å; W66-Y73 AromaticContact CH2-CD1 3.65Å; W66-Y73 HydrophobicContact CH2-CD1 3.65Å; W66-Y73 HydrophobicContact CH2-CD2 4.09Å; W66-Y73 AromaticContact CH2-CE1 3.89Å; W66-Y73 HydrophobicContact CH2-CE1 3.89Å; W66-Y73 HydrophobicContact CH2-CE2 4.29Å; W66-Y73 AromaticContact CH2-CG 3.81Å; W66-Y73 HydrophobicContact CH2-CG 3.81Å; W66-Y73 HydrophobicContact CZ3-CD1 4.08Å; W66-Y73 HydrophobicContact CZ3-CG 4.07Å; W66-L402 HydrophobicContact CE3-CD2 4.04Å; W66-L402 HydrophobicContact CH2-CD2 4.46Å; W66-L402 HydrophobicContact CZ3-CD2 3.6Å
67L97.3Very high95.8Very high0 Ų050.6 Ų50.60%030%0.296CS..Hα-helixtrans-63.9-38.2177.1-69.7172.6000112.2T48 L63 A65 D69 H70 V74 L89 L91 L402T48-L67 HydrophobicContact CG2-CD1 4.16Å; L63-L67 HydrophobicContact CD1-CD1 3.96Å; L63-L67 HydrophobicContact CD1-CD2 4.14Å; L63-L67 HydrophobicContact CD1-CG 3.8Å; L63-L67 HydrophobicContact CD2-CD1 4.44Å; L63-L67 HydrophobicContact CG-CD1 3.81Å; L63-L67 HydrophobicContact CG-CG 4.13Å; L63-L67 WeakPolarHBondContact O-CB 3.33Å; L63-L67 VanDerWaalsContact O-CG 3.26Å; L63-L67 WeakPolarHBondContact O-CG 3.21Å; L63-L67 PolarHBondContact O-N 3.32Å; A65-L67 VanDerWaalsContact C-N 3.34Å; A65-L67 PolarHBondContact O-N 3.21Å; L67-D69 VanDerWaalsContact C-N 3.33Å; L67-H70 CarbonylContact O-C 3.56Å; L67-H70 PolarHBondContact O-N 3.43Å; L67-V74 HydrophobicContact CB-CG1 3.93Å; L67-V74 HydrophobicContact CD2-CG1 3.7Å; L67-V74 HydrophobicContact CG-CG1 4.29Å; L67-L89 HydrophobicContact CB-CB 3.99Å; L67-L89 HydrophobicContact CB-CD1 4.45Å; L67-L89 HydrophobicContact CB-CD2 4.27Å; L67-L89 HydrophobicContact CB-CG 4.48Å; L67-L89 HydrophobicContact CD1-CD2 3.97Å; L67-L91 HydrophobicContact CD1-CD1 4.47Å; L67-L91 HydrophobicContact CD1-CD2 4.14Å; L67-L91 HydrophobicContact CD1-CG 4.19Å; L67-L402 HydrophobicContact CD2-CD1 4.01Å; L67-L402 HydrophobicContact CD2-CD2 3.63Å; L67-L402 HydrophobicContact CD2-CG 4.49Å
68A96.2Very high95.8Very high14 Ų1449.5 Ų49.512%0.11629%0.286CS..Hα-helixtrans-65.1-35.7175.300000112.5S64 A65 W66 H70 V71 I82 K87 L89S64-A68 PolarHBondContact O-N 2.96Å; A65-A68 PolarHBondContact O-N 3.39Å; W66-A68 VanDerWaalsContact C-N 3.35Å; W66-A68 PolarHBondContact O-N 2.82Å; A68-H70 VanDerWaalsContact C-N 3.35Å; A68-V71 VanDerWaalsContact O-CG2 3.24Å; A68-V71 WeakPolarHBondContact O-CG2 3.25Å; A68-I82 HydrophobicContact CB-CG2 4.32Å; A68-K87 VanDerWaalsContact CB-O 3.31Å; A68-K87 WeakPolarHBondContact CB-O 3.39Å; A68-L89 HydrophobicContact CB-CB 4.44Å
69D95.2Very high95.7Very high100 Ų10048.3 Ų48.354%0.53527%0.267SS..Hα-helixtrans-75.4-23175.7-69-28.6000112.8Q61 A65 W66 L67Q61-D69 PolarHBondContact NE2-OD2 3.09Å; Q61-D69 VanDerWaalsContact NE2-OD2 3.17Å; A65-D69 PolarHBondContact O-N 3.41Å; A65-D69 VanDerWaalsContact O-N 3.07Å; W66-D69 PolarHBondContact O-N 2.93Å; L67-D69 VanDerWaalsContact C-N 3.33Å
70H95.7Very high95.3Very high63 Ų6349.5 Ų49.529%0.29228%0.279SS..  trans-119.652.8-172.8-61.778.4000112.2W66 L67 A68 S72 Y73W66-H70 AromaticContact CD1-CE1 3.7Å; W66-H70 AromaticContact CD1-ND1 3.83Å; W66-H70 HydrophobicContact CD2-CB 4.36Å; W66-H70 AromaticContact CD2-CG 3.97Å; W66-H70 AromaticContact CD2-ND1 3.53Å; W66-H70 AromaticContact CE2-CD2 3.88Å; W66-H70 AromaticContact CE2-CE1 3.46Å; W66-H70 VanDerWaalsContact CE2-CE1 3.46Å; W66-H70 AromaticContact CE2-CG 3.62Å; W66-H70 AromaticContact CE2-ND1 3.33Å; W66-H70 VanDerWaalsContact CE2-ND1 3.33Å; W66-H70 AromaticContact CE2-NE2 3.78Å; W66-H70 HydrophobicContact CE3-CB 4.01Å; W66-H70 AromaticContact CG-ND1 3.85Å; W66-H70 HydrophobicContact CH2-CB 3.55Å; W66-H70 AromaticContact CH2-CD2 3.82Å; W66-H70 AromaticContact CH2-CG 3.55Å; W66-H70 HydrophobicContact CZ2-CB 3.98Å; W66-H70 AromaticContact CZ2-CD2 3.42Å; W66-H70 VanDerWaalsContact CZ2-CD2 3.42Å; W66-H70 WeakPolarHBondContact CZ2-CD2 3.17Å; W66-H70 AromaticContact CZ2-CE1 3.82Å; W66-H70 AromaticContact CZ2-CG 3.42Å; W66-H70 VanDerWaalsContact CZ2-CG 3.42Å; W66-H70 AromaticContact CZ2-ND1 3.66Å; W66-H70 AromaticContact CZ2-NE2 3.67Å; W66-H70 HydrophobicContact CZ3-CB 3.59Å; W66-H70 AromaticContact CZ3-CG 3.93Å; W66-H70 AromaticContact NE1-CE1 3.26Å; W66-H70 PolarHBondContact NE1-CE1 2.87Å; W66-H70 VanDerWaalsContact NE1-CE1 3.26Å; W66-H70 AromaticContact NE1-ND1 3.56Å; W66-H70 AromaticContact NE1-NE2 3.75Å; W66-H70 WeakPolarHBondContact O-CB 3.28Å; W66-H70 PolarHBondContact O-N 3.39Å; W66-H70 PolarHBondContact O-ND1 2.93Å; L67-H70 CarbonylContact O-C 3.56Å; L67-H70 PolarHBondContact O-N 3.43Å; A68-H70 VanDerWaalsContact C-N 3.35Å; H70-S72 PolarHBondContact O-N 3.1Å; H70-Y73 HydrophobicContact CB-CD2 3.9Å; H70-Y73 HydrophobicContact CB-CG 4.39Å; H70-Y73 WeakPolarHBondContact O-CB 3.41Å; H70-Y73 PolarHBondContact O-N 2.71Å
71V94.6Very high95Very high51 Ų5149.2 Ų49.231%0.30927%0.272SS..G310 helixtrans-56.2-23.2-174.4-173.20000114A68 Y73 V74 K79 I82A68-V71 VanDerWaalsContact O-CG2 3.24Å; A68-V71 WeakPolarHBondContact O-CG2 3.25Å; V71-Y73 PolarHBondContact O-N 3.33Å; V71-V74 HydrophobicContact CG1-CG2 4.07Å; V71-V74 WeakPolarHBondContact O-CG2 3.37Å; V71-V74 PolarHBondContact O-N 3.34Å; V71-K79 HydrophobicContact CG1-CD 4.17Å; V71-K79 HydrophobicContact CG1-CG 3.95Å; V71-I82 HydrophobicContact CG1-CD1 4.1Å; V71-I82 HydrophobicContact CG2-CD1 3.72Å
72S94.1Very high94.8Very high102 Ų10248.6 Ų48.671%0.71327%0.27SS*.G310 helixtrans-65.6-17.1174.3600000113.8H70H70-S72 PolarHBondContact O-N 3.1Å
73Y95.5Very high94.5Very high81 Ų8146.9 Ų46.932%0.31826%0.264SS..G310 helixtrans-89.3-23-178.1-75.7-115.5000113.2I2 W66 H70 V71 C375 P404 A405I2-Y73 HydrophobicContact CD1-CD1 4.03Å; I2-Y73 HydrophobicContact CD1-CE1 3.71Å; W66-Y73 AromaticContact CH2-CD1 3.65Å; W66-Y73 HydrophobicContact CH2-CD1 3.65Å; W66-Y73 HydrophobicContact CH2-CD2 4.09Å; W66-Y73 AromaticContact CH2-CE1 3.89Å; W66-Y73 HydrophobicContact CH2-CE1 3.89Å; W66-Y73 HydrophobicContact CH2-CE2 4.29Å; W66-Y73 AromaticContact CH2-CG 3.81Å; W66-Y73 HydrophobicContact CH2-CG 3.81Å; W66-Y73 HydrophobicContact CZ3-CD1 4.08Å; W66-Y73 HydrophobicContact CZ3-CG 4.07Å; H70-Y73 HydrophobicContact CB-CD2 3.9Å; H70-Y73 HydrophobicContact CB-CG 4.39Å; H70-Y73 WeakPolarHBondContact O-CB 3.41Å; H70-Y73 PolarHBondContact O-N 2.71Å; V71-Y73 PolarHBondContact O-N 3.33Å; Y73-C375 WeakPolarHBondContact O-CB 3.15Å; Y73-P404 HydrophobicContact CD1-CB 3.62Å; Y73-P404 HydrophobicContact CD1-CG 3.46Å; Y73-P404 VanDerWaalsContact CD1-CG 3.46Å; Y73-P404 HydrophobicContact CE1-CB 4.21Å; Y73-P404 HydrophobicContact CE1-CG 3.69Å; Y73-P404 HydrophobicContact CG-CB 4.23Å; Y73-A405 WeakPolarHBondContact O-CB 3.09Å; Y73-A405 PolarHBondContact O-N 3.06Å
74V95.4Very high93.9Very high0 Ų050.9 Ų50.90%030%0.297CS..THydrogen-bonded Turntrans-85.3-33.8-164.1-72.70000115.2L67 V71 L78 L89 T374 C375L67-V74 HydrophobicContact CB-CG1 3.93Å; L67-V74 HydrophobicContact CD2-CG1 3.7Å; L67-V74 HydrophobicContact CG-CG1 4.29Å; V71-V74 HydrophobicContact CG1-CG2 4.07Å; V71-V74 WeakPolarHBondContact O-CG2 3.37Å; V71-V74 PolarHBondContact O-N 3.34Å; V74-L78 HydrophobicContact CB-CB 4.3Å; V74-L89 HydrophobicContact CB-CD1 4.07Å; V74-L89 HydrophobicContact CG1-CD1 3.64Å; V74-L89 HydrophobicContact CG2-CD1 4.12Å; V74-T374 CarbonylContact O-C 3.59Å; V74-T374 WeakPolarHBondContact O-CA 3.32Å; V74-C375 PolarHBondContact O-N 3.04Å
75G94.2Very high93.5Very high9 Ų958 Ų589%0.09334%0.335CS..BIsolated β-bridgetrans95.6159.6-169.100000113.4N373G75-N373 WeakPolarHBondContact CA-O 3.35Å
76E93.3Very high93.2Very high131 Ų13161.9 Ų61.961%0.61235%0.353SS*.G310 helixtrans-69.9-40.3-170.2-161.265.6-145.400112.5L78 K79E76-L78 PolarHBondContact O-N 3.25Å; E76-L78 VanDerWaalsContact O-N 3.17Å; E76-K79 PolarHBondContact O-N 3.3Å; E76-K79 VanDerWaalsContact O-N 3.17Å; E76-K79 WeakPolarHBondContact OE1-CD 3.44Å; E76-K79 IonicContact OE1-NZ 3.32Å; E76-K79 PolarHBondContact OE1-NZ 3.06Å; E76-K79 WeakPolarHBondContact OE2-CE 3.32Å; E76-K79 IonicContact OE2-NZ 3.06Å; E76-K79 PolarHBondContact OE2-NZ 3.47Å
77N93.6Very high93Very high38 Ų3867.8 Ų67.820%0.20338%0.379CS..G310 helixtrans-61.2-23.3-178.465.2-34.6000113.4T374 K426N77-T374 WeakPolarHBondContact OD1-CB 3.37Å; N77-K426 PolarHBondContact ND2-O 3.2Å
78L95.4Very high92.9Very high5 Ų570.7 Ų70.73%0.02639%0.393CS..G310 helixtrans-97.1-8.7-179.8-68.7179.4000114.2V74 E76 S80 A81 L89 L91 P92 T374 A425V74-L78 HydrophobicContact CB-CB 4.3Å; E76-L78 PolarHBondContact O-N 3.25Å; E76-L78 VanDerWaalsContact O-N 3.17Å; L78-S80 VanDerWaalsContact C-N 3.25Å; L78-S80 PolarHBondContact O-N 3.39Å; L78-A81 WeakPolarHBondContact O-CB 3.44Å; L78-A81 PolarHBondContact O-N 2.96Å; L78-L89 HydrophobicContact CB-CD1 4.33Å; L78-L91 HydrophobicContact CD1-CD2 3.89Å; L78-P92 HydrophobicContact CD2-CG 4.06Å; L78-T374 WeakPolarHBondContact CD1-OG1 3.27Å; L78-A425 HydrophobicContact CD2-CB 3.79Å; L78-A425 HydrophobicContact CG-CB 4.44Å
79K91.7Very high92.9Very high83 Ų8370 Ų7036%0.36139%0.387SS..G310 helixtrans-62.2-33.4-178.2-70.1-173.1-174.3166.80113.1V71 E76 A81 I82V71-K79 HydrophobicContact CG1-CD 4.17Å; V71-K79 HydrophobicContact CG1-CG 3.95Å; E76-K79 PolarHBondContact O-N 3.3Å; E76-K79 VanDerWaalsContact O-N 3.17Å; E76-K79 WeakPolarHBondContact OE1-CD 3.44Å; E76-K79 IonicContact OE1-NZ 3.32Å; E76-K79 PolarHBondContact OE1-NZ 3.06Å; E76-K79 WeakPolarHBondContact OE2-CE 3.32Å; E76-K79 IonicContact OE2-NZ 3.06Å; E76-K79 PolarHBondContact OE2-NZ 3.47Å; K79-A81 PolarHBondContact O-N 3.37Å; K79-I82 WeakPolarHBondContact O-CG1 3.14Å; K79-I82 PolarHBondContact O-N 3.21Å
80S89.8Confident92.8Very high116 Ų11668.6 Ų68.681%0.81138%0.379SS*.G310 helixtrans-70.6-12.6176.258.30000113.6L78 I82L78-S80 VanDerWaalsContact C-N 3.25Å; L78-S80 PolarHBondContact O-N 3.39Å; S80-I82 VanDerWaalsContact C-N 3.32Å
81A90Very high92.9Very high38 Ų3865.7 Ų65.731%0.31437%0.366SS..G310 helixtrans-86.9-0.2175.600000113L78 K79 D83 L89L78-A81 WeakPolarHBondContact O-CB 3.44Å; L78-A81 PolarHBondContact O-N 2.96Å; K79-A81 PolarHBondContact O-N 3.37Å; A81-D83 PolarHBondContact O-N 3.06Å; A81-L89 HydrophobicContact CB-CG 4.48Å
82I92.2Very high93Very high50 Ų5065.2 Ų65.226%0.25636%0.364SS..EExtended strand (participates in β ladder)trans-74.7114.2173.7-57.9173000108.7A68 V71 K79 S80 A84 L89A68-I82 HydrophobicContact CB-CG2 4.32Å; V71-I82 HydrophobicContact CG1-CD1 4.1Å; V71-I82 HydrophobicContact CG2-CD1 3.72Å; K79-I82 WeakPolarHBondContact O-CG1 3.14Å; K79-I82 PolarHBondContact O-N 3.21Å; S80-I82 VanDerWaalsContact C-N 3.32Å; I82-A84 PolarHBondContact O-N 3.18Å; I82-L89 HydrophobicContact CD1-CD1 4.29Å; I82-L89 HydrophobicContact CG1-CB 4.11Å; I82-L89 HydrophobicContact CG1-CD1 3.62Å; I82-L89 HydrophobicContact CG1-CG 4.14Å
83D91Very high93.2Very high58 Ų5860.4 Ų60.431%0.3133%0.33SS..EExtended strand (participates in β ladder)trans-76104.1166.6-175.9-15.2000109.2A81 N85 N86 K87 Q88A81-D83 PolarHBondContact O-N 3.06Å; D83-N85 PolarHBondContact O-N 3.03Å; D83-N85 WeakPolarHBondContact OD1-CA 3.4Å; D83-N85 WeakPolarHBondContact OD1-CB 3.47Å; D83-N85 PolarHBondContact OD1-N 3.02Å; D83-N86 HydrophobicContact CB-CB 4.33Å; D83-N86 PolarHBondContact O-N 3.4Å; D83-N86 PolarHBondContact OD1-N 3.43Å; D83-N86 PolarHBondContact OD2-ND2 3.16Å; D83-K87 WeakPolarHBondContact O-CA 3.5Å; D83-K87 PolarHBondContact O-N 2.73Å; D83-Q88 PolarHBondContact N-O 2.73Å; D83-Q88 PolarHBondContact O-N 3.48Å
84A84.5Confident93.3Very high84 Ų8456.6 Ų56.669%0.69432%0.316SS*.THydrogen-bonded Turntrans-62.9-25.8179.900000113.4I82I82-A84 PolarHBondContact O-N 3.18Å
85N89.2Confident93.4Very high151 Ų15156.6 Ų56.681%0.80732%0.316SS*.THydrogen-bonded Turntrans-77.7-44.2-179.5-60.9-46.7000110.9D83D83-N85 PolarHBondContact O-N 3.03Å; D83-N85 WeakPolarHBondContact OD1-CA 3.4Å; D83-N85 WeakPolarHBondContact OD1-CB 3.47Å; D83-N85 PolarHBondContact OD1-N 3.02Å
86N90.3Very high93.7Very high104 Ų10456.6 Ų56.656%0.55631%0.313SS*.THydrogen-bonded Turntrans-90.7-9.2-177.6-68.8-39.7000113.4D83 Q88D83-N86 HydrophobicContact CB-CB 4.33Å; D83-N86 PolarHBondContact O-N 3.4Å; D83-N86 PolarHBondContact OD1-N 3.43Å; D83-N86 PolarHBondContact OD2-ND2 3.16Å; N86-Q88 VanDerWaalsContact C-N 3.25Å; N86-Q88 HydrophobicContact CB-CB 4.46Å; N86-Q88 HydrophobicContact CB-CG 4.48Å; N86-Q88 PolarHBondContact O-N 3.01Å
87K92.9Very high93.9Very high146 Ų14650.4 Ų50.464%0.63528%0.284SS*.THydrogen-bonded Turntrans51.247.2-173-60.2-175.7178.7-175.70111.6A68 D83A68-K87 VanDerWaalsContact CB-O 3.31Å; A68-K87 WeakPolarHBondContact CB-O 3.39Å; D83-K87 WeakPolarHBondContact O-CA 3.5Å; D83-K87 PolarHBondContact O-N 2.73Å
88Q95.4Very high94.2Very high61 Ų6148.7 Ų48.729%0.28528%0.275SS..EExtended strand (participates in β ladder)trans-130.2142.5-179.8-74.1178.6-3.800109.1D83 N86D83-Q88 PolarHBondContact N-O 2.73Å; D83-Q88 PolarHBondContact O-N 3.48Å; N86-Q88 VanDerWaalsContact C-N 3.25Å; N86-Q88 HydrophobicContact CB-CB 4.46Å; N86-Q88 HydrophobicContact CB-CG 4.48Å; N86-Q88 PolarHBondContact O-N 3.01Å
89L96.2Very high94.3Very high0 Ų048.4 Ų48.40%027%0.273CS..EExtended strand (participates in β ladder)trans-111116166.3-177.1158.1000107.4S64 L67 A68 V74 L78 A81 I82 L91S64-L89 VanDerWaalsContact CA-O 3.31Å; S64-L89 WeakPolarHBondContact CA-O 3.28Å; S64-L89 WeakPolarHBondContact CB-O 3.38Å; S64-L89 PolarHBondContact O-N 3.08Å; L67-L89 HydrophobicContact CB-CB 3.99Å; L67-L89 HydrophobicContact CB-CD1 4.45Å; L67-L89 HydrophobicContact CB-CD2 4.27Å; L67-L89 HydrophobicContact CB-CG 4.48Å; L67-L89 HydrophobicContact CD1-CD2 3.97Å; A68-L89 HydrophobicContact CB-CB 4.44Å; V74-L89 HydrophobicContact CB-CD1 4.07Å; V74-L89 HydrophobicContact CG1-CD1 3.64Å; V74-L89 HydrophobicContact CG2-CD1 4.12Å; L78-L89 HydrophobicContact CB-CD1 4.33Å; A81-L89 HydrophobicContact CB-CG 4.48Å; I82-L89 HydrophobicContact CD1-CD1 4.29Å; I82-L89 HydrophobicContact CG1-CB 4.11Å; I82-L89 HydrophobicContact CG1-CD1 3.62Å; I82-L89 HydrophobicContact CG1-CG 4.14Å; L89-L91 HydrophobicContact CD2-CD2 4Å
90D94.6Very high94.7Very high69 Ų6944.5 Ų44.537%0.36926%0.256SS..  trans-92.5122.7172.7-73-40000110.3T48T48-D90 WeakPolarHBondContact OG1-CA 3.49Å; T48-D90 PolarHBondContact OG1-OD1 3.49Å
91L96.8Very high95.1Very high2 Ų241.1 Ų41.11%0.0123%0.229CC..  trans-62.4138.1170.6-65.3175.5000108.6T48 L63 L67 L78 L89 F93 C299 I377T48-L91 HydrophobicContact CG2-CB 4.47Å; T48-L91 HydrophobicContact CG2-CD1 4.19Å; T48-L91 HydrophobicContact CG2-CG 3.96Å; T48-L91 PolarHBondContact OG1-N 3.33Å; L63-L91 HydrophobicContact CD2-CD1 4.49Å; L67-L91 HydrophobicContact CD1-CD1 4.47Å; L67-L91 HydrophobicContact CD1-CD2 4.14Å; L67-L91 HydrophobicContact CD1-CG 4.19Å; L78-L91 HydrophobicContact CD1-CD2 3.89Å; L89-L91 HydrophobicContact CD2-CD2 4Å; L91-F93 HydrophobicContact CB-CD1 4.39Å; L91-F93 HydrophobicContact CB-CE1 4.24Å; L91-F93 HydrophobicContact CD1-CE1 4.47Å; L91-F93 HydrophobicContact CD1-CE2 4.48Å; L91-F93 HydrophobicContact CD1-CZ 4.06Å; L91-F93 HydrophobicContact CD2-CE1 4.4Å; L91-F93 PolarHBondContact O-N 3.08Å; L91-C299 PolarHBondContact O-SG 3.36Å; L91-I377 HydrophobicContact CD1-CD1 4.14Å; L91-I377 HydrophobicContact CD1-CG1 4.02Å
92P96.3Very high95.4Very high42 Ų4242.6 Ų42.627%0.27323%0.229SC..SBendtrans-71.2-1.8-178.629.5-34.9000113L78 A298 C299 E353 A425L78-P92 HydrophobicContact CD2-CG 4.06Å; P92-A298 WeakPolarHBondContact O-CA 3.49Å; P92-C299 PolarHBondContact O-N 3.26Å; P92-E353 HydrophobicContact CB-CB 4.39Å; P92-E353 HydrophobicContact CB-CG 4.31Å; P92-A425 HydrophobicContact CG-CB 3.54Å
93F97.9Very high95.7Very high1 Ų140.4 Ų40.40%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-132.3153.5-179.267.4-90.9000112L91 F95 M297 E353 F354 I377 S423 A425L91-F93 HydrophobicContact CB-CD1 4.39Å; L91-F93 HydrophobicContact CB-CE1 4.24Å; L91-F93 HydrophobicContact CD1-CE1 4.47Å; L91-F93 HydrophobicContact CD1-CE2 4.48Å; L91-F93 HydrophobicContact CD1-CZ 4.06Å; L91-F93 HydrophobicContact CD2-CE1 4.4Å; L91-F93 PolarHBondContact O-N 3.08Å; F93-F95 HydrophobicContact CD2-CB 4.29Å; F93-F95 HydrophobicContact CE2-CB 4.27Å; F93-M297 CarbonylContact C-O 3.59Å; F93-M297 WeakPolarHBondContact CA-O 3.43Å; F93-E353 WeakPolarHBondContact CD1-O 3.28Å; F93-F354 HydrophobicContact CB-CB 3.75Å; F93-F354 HydrophobicContact CB-CD1 4.18Å; F93-F354 HydrophobicContact CB-CG 4.35Å; F93-F354 HydrophobicContact CD1-CB 4.44Å; F93-F354 HydrophobicContact CG-CB 4.1Å; F93-I377 HydrophobicContact CE2-CG1 4.17Å; F93-I377 HydrophobicContact CZ-CG1 4.25Å; F93-S423 WeakPolarHBondContact CD2-OG 3.43Å; F93-S423 WeakPolarHBondContact CE2-OG 3.42Å; F93-A425 HydrophobicContact CD1-CB 4.31Å; F93-A425 HydrophobicContact CE1-CB 4.27Å
94L98.3Very high96Very high1 Ų138.8 Ų38.81%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-113.8126.2166.4177.457.9000108.1W45 H49 K96 C296 M297W45-L94 HydrophobicContact CB-CD1 4.35Å; W45-L94 HydrophobicContact CD2-CD2 4.07Å; W45-L94 HydrophobicContact CE3-CD1 4.3Å; W45-L94 HydrophobicContact CE3-CD2 3.73Å; W45-L94 HydrophobicContact CH2-CD2 4.26Å; W45-L94 HydrophobicContact CZ3-CD2 3.84Å; H49-L94 HydrophobicContact CB-CD1 4.01Å; H49-L94 HydrophobicContact CB-CD2 3.97Å; H49-L94 HydrophobicContact CB-CG 4.48Å; L94-K96 HydrophobicContact CD2-CD 4.39Å; L94-K96 HydrophobicContact CD2-CG 4.44Å; L94-K96 HydrophobicContact CG-CD 4.43Å; L94-K96 HydrophobicContact CG-CG 3.98Å; L94-C296 WeakPolarHBondContact O-CA 3.4Å; L94-M297 HydrophobicContact CB-CG 4.07Å; L94-M297 HydrophobicContact CD2-SD 4.36Å; L94-M297 PolarHBondContact N-O 2.81Å; L94-M297 PolarHBondContact O-N 2.85Å; L94-M297 VanDerWaalsContact O-N 3.08Å
95F98.7Very high96.6Very high0 Ų035.2 Ų35.20%018%0.179CC..EExtended strand (participates in β ladder)trans-104134.6179-172.8-130.3000109.8M46 F93 I294 C296 V356 I377 L379 F421M46-F95 WeakPolarHBondContact CA-O 3.49Å; M46-F95 HydrophobicContact CB-CB 4.32Å; M46-F95 HydrophobicContact CB-CD1 4.3Å; M46-F95 HydrophobicContact CE-CD1 3.57Å; M46-F95 HydrophobicContact CE-CE1 3.95Å; M46-F95 HydrophobicContact CE-CG 4.13Å; M46-F95 WeakPolarHBondContact CE-O 3.45Å; M46-F95 PolarHBondContact N-O 3.47Å; M46-F95 WeakPolarHBondContact O-CB 3.39Å; M46-F95 PolarHBondContact O-N 3.25Å; M46-F95 VanDerWaalsContact O-O 3.13Å; M46-F95 HydrophobicContact SD-CD1 3.9Å; M46-F95 HydrophobicContact SD-CE1 4.23Å; F93-F95 HydrophobicContact CD2-CB 4.29Å; F93-F95 HydrophobicContact CE2-CB 4.27Å; F95-I294 HydrophobicContact CD2-CG2 4.15Å; F95-I294 HydrophobicContact CE2-CG2 3.18Å; F95-I294 HydrophobicContact CZ-CD1 4.12Å; F95-I294 HydrophobicContact CZ-CG2 3.66Å; F95-C296 HydrophobicContact CD2-CB 4.05Å; F95-V356 HydrophobicContact CE2-CG1 4.34Å; F95-V356 HydrophobicContact CE2-CG2 4.35Å; F95-I377 HydrophobicContact CD1-CG2 4.04Å; F95-L379 HydrophobicContact CE1-CB 3.92Å; F95-L379 HydrophobicContact CE1-CD2 4.45Å; F95-F421 HydrophobicContact CE1-CB 4.4Å; F95-F421 HydrophobicContact CZ-CB 3.75Å
96K98.6Very high97.1Very high9 Ų928.2 Ų28.24%0.03914%0.141CC..EExtended strand (participates in β ladder)trans-141.6159.8-173.7-53.9-178.4-172171.30114.4E43 L44 L94 L98 I294 E295 M297E43-K96 WeakPolarHBondContact OE2-CD 3.48Å; E43-K96 WeakPolarHBondContact OE2-CE 3.42Å; E43-K96 IonicContact OE2-NZ 3.7Å; E43-K96 PolarHBondContact OE2-NZ 3.11Å; L44-K96 CarbonylContact O-C 3.53Å; L44-K96 WeakPolarHBondContact O-CA 3.46Å; L44-K96 VanDerWaalsContact O-CB 3.32Å; L44-K96 WeakPolarHBondContact O-CB 3.42Å; L94-K96 HydrophobicContact CD2-CD 4.39Å; L94-K96 HydrophobicContact CD2-CG 4.44Å; L94-K96 HydrophobicContact CG-CD 4.43Å; L94-K96 HydrophobicContact CG-CG 3.98Å; K96-L98 HydrophobicContact CB-CD1 3.66Å; K96-L98 HydrophobicContact CD-CD1 3.93Å; K96-I294 WeakPolarHBondContact O-CA 3.24Å; K96-E295 HydrophobicContact CB-CB 4.29Å; K96-E295 WeakPolarHBondContact CD-OE2 3.23Å; K96-E295 PolarHBondContact N-O 2.83Å; K96-E295 IonicContact NZ-OE2 3.01Å; K96-E295 PolarHBondContact NZ-OE2 2.91Å; K96-E295 PolarHBondContact O-N 3.37Å; K96-M297 PolarHBondContact NZ-SD 2.83Å; K96-M297 VanDerWaalsContact NZ-SD 3.45Å
97V98.8Very high97.4Very high0 Ų024.1 Ų24.10%012%0.119CC..EExtended strand (participates in β ladder)trans-109130.2156-175.60000107.3K21 V22 E43 L44 M46 L139 C293 I294 L379K21-V97 HydrophobicContact CB-CG1 4.44Å; K21-V97 HydrophobicContact CG-CG1 4.21Å; V22-V97 HydrophobicContact CG2-CB 4.12Å; V22-V97 HydrophobicContact CG2-CG1 3.99Å; V22-V97 WeakPolarHBondContact CG2-O 3.4Å; E43-V97 CarbonylContact C-O 3.54Å; E43-V97 VanDerWaalsContact CA-O 3.3Å; E43-V97 WeakPolarHBondContact CA-O 3.32Å; L44-V97 HydrophobicContact CB-CB 3.97Å; L44-V97 HydrophobicContact CB-CG2 4.3Å; L44-V97 HydrophobicContact CD2-CG2 4.08Å; L44-V97 PolarHBondContact N-O 3.43Å; L44-V97 PolarHBondContact O-N 3.28Å; L44-V97 VanDerWaalsContact O-N 3.08Å; M46-V97 HydrophobicContact CE-CG2 4.13Å; V97-L139 HydrophobicContact CG1-CD1 4.1Å; V97-C293 WeakPolarHBondContact CA-O 3.3Å; V97-I294 HydrophobicContact CG2-CD1 3.96Å; V97-L379 HydrophobicContact CG2-CD2 3.39Å
98L98.8Very high97.6Very high2 Ų217.2 Ų17.21%0.019%0.089CC..EExtended strand (participates in β ladder)trans-108.8141.5170.7-8161000109.2W13 A42 E43 K96 V100 Y288 D292 C293 E295W13-L98 HydrophobicContact CH2-CG 4.22Å; A42-L98 WeakPolarHBondContact O-CA 3.23Å; E43-L98 HydrophobicContact CG-CD1 4.43Å; E43-L98 HydrophobicContact CG-CG 4.22Å; K96-L98 HydrophobicContact CB-CD1 3.66Å; K96-L98 HydrophobicContact CD-CD1 3.93Å; L98-V100 HydrophobicContact CB-CG2 4.23Å; L98-Y288 HydrophobicContact CD2-CD2 3.77Å; L98-Y288 HydrophobicContact CD2-CE2 3.68Å; L98-D292 VanDerWaalsContact O-CA 3.3Å; L98-D292 WeakPolarHBondContact O-CA 3.32Å; L98-C293 PolarHBondContact N-O 2.82Å; L98-C293 PolarHBondContact O-N 2.82Å; L98-E295 HydrophobicContact CD1-CB 3.6Å; L98-E295 HydrophobicContact CD1-CG 4.41Å
99S98.9Very high97.8Very high0 Ų014.3 Ų14.30%08%0.076CC..EExtended strand (participates in β ladder)trans-129.289.9174-166.90000110.2G14 K15 S20 K21 A42 D292G14-S99 VanDerWaalsContact CA-O 3.27Å; G14-S99 WeakPolarHBondContact CA-O 3.41Å; K15-S99 WeakPolarHBondContact CD-OG 3.41Å; K15-S99 PolarHBondContact N-O 3.09Å; S20-S99 VanDerWaalsContact CA-OG 3.3Å; S20-S99 WeakPolarHBondContact CA-OG 3.48Å; S20-S99 VanDerWaalsContact OG-CB 3.25Å; S20-S99 WeakPolarHBondContact OG-CB 3.38Å; S20-S99 PolarHBondContact OG-OG 3.49Å; K21-S99 PolarHBondContact N-OG 3.2Å; K21-S99 VanDerWaalsContact N-OG 3.17Å; A42-S99 PolarHBondContact O-N 2.87Å; S99-D292 VanDerWaalsContact CA-OD1 3.26Å; S99-D292 WeakPolarHBondContact CA-OD1 3.4Å; S99-D292 VanDerWaalsContact CB-OD1 3.25Å; S99-D292 WeakPolarHBondContact CB-OD1 3.42Å; S99-D292 PolarHBondContact OG-OD1 2.88Å
100V98.8Very high97.9Very high0 Ų014.3 Ų14.30%08%0.076CC..EExtended strand (participates in β ladder)trans-90.6123.8-167.3-172.90000110.6W13 K15 L98 K102 F142 G291W13-V100 HydrophobicContact CE3-CB 4.49Å; W13-V100 HydrophobicContact CE3-CG1 4.44Å; W13-V100 HydrophobicContact CE3-CG2 4.35Å; W13-V100 HydrophobicContact CZ3-CB 4.36Å; W13-V100 HydrophobicContact CZ3-CG2 3.85Å; K15-V100 WeakPolarHBondContact CE-O 3.34Å; L98-V100 HydrophobicContact CB-CG2 4.23Å; V100-K102 VanDerWaalsContact CG1-O 3.23Å; V100-K102 WeakPolarHBondContact CG1-O 3.48Å; V100-F142 HydrophobicContact CG2-CE2 3.97Å; V100-F142 HydrophobicContact CG2-CZ 4.46Å; V100-G291 WeakPolarHBondContact CA-O 3.4Å; V100-G291 WeakPolarHBondContact CB-O 3.33Å; V100-G291 PolarHBondContact N-O 2.77Å; V100-G291 PolarHBondContact O-N 3.18Å
101N98Very high98Very high45 Ų4513.5 Ų13.524%0.2417%0.071CC..SBendtrans-113.9-39.1175.8-17033.5000112.4W13 G14 K15W13-N101 WeakPolarHBondContact O-CA 3.42Å; W13-N101 VanDerWaalsContact O-CB 3.28Å; W13-N101 WeakPolarHBondContact O-CB 3.34Å; W13-N101 PolarHBondContact O-N 3.31Å; G14-N101 WeakPolarHBondContact O-CB 3.46Å; K15-N101 HydrophobicContact CB-CB 4.3Å; K15-N101 HydrophobicContact CG-CB 3.72Å
102K96.8Very high97.9Very high70 Ų7018.3 Ų18.330%0.3049%0.092SC..SBendtrans-112.2149.8172.9-56178-174.1155.70109.4E12 W13 V100 L104E12-K102 PolarHBondContact O-NZ 2.88Å; E12-K102 VanDerWaalsContact O-NZ 3.11Å; W13-K102 HydrophobicContact CB-CB 4.02Å; W13-K102 PolarHBondContact O-N 2.91Å; V100-K102 VanDerWaalsContact CG1-O 3.23Å; V100-K102 WeakPolarHBondContact CG1-O 3.48Å; K102-L104 PolarHBondContact O-N 3Å
103A98.2Very high98Very high4 Ų422.3 Ų22.33%0.03311%0.111CC..PPolyproline II helixtrans-56.9135.9176.800000111.2L251 F255 Y288 L289 L308A103-L251 HydrophobicContact CB-CD2 3.67Å; A103-F255 HydrophobicContact CB-CE2 4.17Å; A103-F255 WeakPolarHBondContact O-CE2 3.42Å; A103-F255 WeakPolarHBondContact O-CZ 3.33Å; A103-Y288 CarbonylContact C-O 3.6Å; A103-Y288 WeakPolarHBondContact CA-O 3.47Å; A103-L289 HydrophobicContact CB-CD2 3.61Å; A103-L308 HydrophobicContact CB-CD1 4.08Å
104L98.3Very high98Very high23 Ų2323.3 Ų23.312%0.1212%0.116CC..PPolyproline II helixtrans-75.4168.8166.9-64.2178.9000110.1W13 K102 Y288W13-L104 HydrophobicContact CB-CD2 4.32Å; W13-L104 HydrophobicContact CD2-CD2 3.45Å; W13-L104 VanDerWaalsContact CD2-CD2 3.45Å; W13-L104 VanDerWaalsContact CE2-CD2 3.42Å; W13-L104 HydrophobicContact CE3-CD2 4.03Å; W13-L104 HydrophobicContact CG-CD2 3.56Å; W13-L104 HydrophobicContact CZ2-CD2 3.97Å; K102-L104 PolarHBondContact O-N 3Å; L104-Y288 HydrophobicContact CD1-CD2 3.55Å; L104-Y288 HydrophobicContact CD1-CE2 4.46Å; L104-Y288 HydrophobicContact CD1-CG 4.12Å; L104-Y288 PolarHBondContact N-O 2.91Å
105S98.1Very high98Very high10 Ų1023.2 Ų23.27%0.0712%0.115CC..PPolyproline II helixtrans-59.2143.9177.654.20000112Q107 R305 G307 L308S105-Q107 PolarHBondContact O-N 3.12Å; S105-Q107 VanDerWaalsContact O-N 3.1Å; S105-Q107 PolarHBondContact OG-OE1 3.25Å; S105-R305 WeakPolarHBondContact OG-CD 3.4Å; S105-R305 PolarHBondContact OG-NE 3.09Å; S105-G307 CarbonylContact C-O 3.57Å; S105-G307 VanDerWaalsContact CA-O 3.3Å; S105-G307 WeakPolarHBondContact CA-O 3.12Å; S105-L308 WeakPolarHBondContact CA-O 3.49Å
106I98Very high97.9Very high3 Ų325.8 Ų25.82%0.01513%0.131CC..EExtended strand (participates in β ladder)trans-61.4115.6159.5-53.6-58000107L145 A263 L267 A287 R305 A306 G307 L308I106-L145 HydrophobicContact CD1-CD1 3.75Å; I106-A263 HydrophobicContact CD1-CB 3.51Å; I106-A263 HydrophobicContact CG1-CB 3.94Å; I106-L267 HydrophobicContact CG2-CD1 4.42Å; I106-A287 HydrophobicContact CD1-CB 3.72Å; I106-R305 VanDerWaalsContact O-CA 3.3Å; I106-R305 WeakPolarHBondContact O-CA 3.28Å; I106-A306 PolarHBondContact O-N 2.91Å; I106-G307 PolarHBondContact N-O 3.04Å; I106-L308 HydrophobicContact CD1-CD1 3.69Å; I106-L308 HydrophobicContact CD1-CG 4.27Å; I106-L308 HydrophobicContact CG1-CD1 4.04Å; I106-L308 HydrophobicContact CG1-CG 4.05Å
107Q97.5Very high97.9Very high19 Ų1930.2 Ų30.29%0.08915%0.154CC..EExtended strand (participates in β ladder)trans-138.1160-170.468.4-173.6500112.8S105 A285 H286 T303 V304S105-Q107 PolarHBondContact O-N 3.12Å; S105-Q107 VanDerWaalsContact O-N 3.1Å; S105-Q107 PolarHBondContact OG-OE1 3.25Å; Q107-A285 WeakPolarHBondContact O-CA 3.45Å; Q107-H286 VanDerWaalsContact CG-NE2 3.32Å; Q107-H286 WeakPolarHBondContact CG-NE2 3.27Å; Q107-H286 PolarHBondContact N-O 3.32Å; Q107-H286 PolarHBondContact NE2-NE2 2.94Å; Q107-H286 PolarHBondContact O-N 3.12Å; Q107-T303 HydrophobicContact CB-CG2 3.66Å; Q107-T303 HydrophobicContact CG-CG2 4.33Å; Q107-V304 CarbonylContact C-O 3.42Å; Q107-V304 VanDerWaalsContact CA-O 3.24Å; Q107-V304 WeakPolarHBondContact CA-O 3.47Å
108V97.9Very high97.9Very high0 Ų030.4 Ų30.40%016%0.155CC..EExtended strand (participates in β ladder)trans-143.6149.2171.564.10000108.9N283 V304 L318 M321 L322V108-N283 VanDerWaalsContact CG2-C 3.47Å; V108-V304 HydrophobicContact CG1-CB 3.73Å; V108-V304 HydrophobicContact CG1-CG1 4.27Å; V108-V304 HydrophobicContact CG1-CG2 4.4Å; V108-V304 PolarHBondContact N-O 3.36Å; V108-V304 PolarHBondContact O-N 3.01Å; V108-L318 HydrophobicContact CG1-CB 4.35Å; V108-L318 HydrophobicContact CG1-CD1 3.85Å; V108-L318 HydrophobicContact CG1-CG 3.79Å; V108-M321 HydrophobicContact CB-SD 4.32Å; V108-M321 HydrophobicContact CG1-CG 3.91Å; V108-M321 HydrophobicContact CG1-SD 3.37Å; V108-M321 WeakPolarHBondContact CG1-SD 3.4Å; V108-M321 HydrophobicContact CG2-CG 4.18Å; V108-M321 HydrophobicContact CG2-SD 3.97Å; V108-L322 HydrophobicContact CB-CD2 4.21Å; V108-L322 HydrophobicContact CG2-CD2 3.94Å
109H98Very high97.9Very high1 Ų133 Ų331%0.00517%0.167CC..  trans-109.1132.4176.5-58.4-51.4000110.1K132 E134 A282 N283 H286 N302H109-K132 HydrophobicContact CB-CB 3.86Å; H109-K132 WeakPolarHBondContact CB-O 3.42Å; H109-K132 PolarHBondContact CD2-O 2.95Å; H109-K132 VanDerWaalsContact CD2-O 3.31Å; H109-E134 IonicContact CD2-OE2 2.76Å; H109-E134 IonicContact CE1-OE1 2.68Å; H109-E134 VanDerWaalsContact NE2-CD 3.33Å; H109-E134 IonicContact NE2-OE1 3.18Å; H109-E134 PolarHBondContact NE2-OE1 3.45Å; H109-E134 IonicContact NE2-OE2 2.73Å; H109-E134 PolarHBondContact NE2-OE2 3.02Å; H109-A282 WeakPolarHBondContact O-CA 3.42Å; H109-N283 PolarHBondContact O-N 3.49Å; H109-N283 PolarHBondContact O-OD1 3.31Å; H109-H286 AromaticContact CD2-CE1 3.54Å; H109-H286 AromaticContact NE2-CE1 3.35Å; H109-H286 PolarHBondContact NE2-CE1 2.91Å; H109-H286 AromaticContact NE2-NE2 3.48Å; H109-H286 PolarHBondContact NE2-NE2 3.39Å; H109-N302 PolarHBondContact ND1-O 3.47Å
110P97.9Very high97.8Very high0 Ų040.1 Ų40.10%020%0.2CC..  trans-65.7154.117829.7-35.6000110.8E114 A115 L118 H131 N302P110-E114 HydrophobicContact CB-CB 3.77Å; P110-A115 HydrophobicContact CB-CB 4.33Å; P110-A115 HydrophobicContact CG-CB 3.93Å; P110-L118 HydrophobicContact CB-CD1 3.85Å; P110-L118 HydrophobicContact CG-CD1 4.06Å; P110-H131 WeakPolarHBondContact O-CB 3.39Å; P110-N302 HydrophobicContact CG-CB 3.96Å
111N97Very high97.8Very high52 Ų5247.9 Ų47.928%0.27823%0.234SC..  trans-70.1175.1162.171.445.7000110.4D113 E114 A115 A282 N283N111-D113 PolarHBondContact O-N 3.14Å; N111-D113 PolarHBondContact OD1-N 3.48Å; N111-D113 VanDerWaalsContact OD1-N 3.11Å; N111-E114 PolarHBondContact ND2-OE2 3.42Å; N111-E114 PolarHBondContact O-N 3.41Å; N111-E114 WeakPolarHBondContact OD1-CG 3.48Å; N111-E114 PolarHBondContact OD1-N 2.69Å; N111-A115 WeakPolarHBondContact O-CB 3.43Å; N111-A115 PolarHBondContact O-N 3.21Å; N111-A282 HydrophobicContact CB-CB 3.76Å; N111-N283 PolarHBondContact N-OD1 2.85Å
112K95.9Very high97.8Very high103 Ų10347.9 Ų47.945%0.44823%0.234SC..Hα-helixtrans-64.1-41.6-172.2-167.9161.2-174.8156.20113.2A115 V116 H131K112-A115 PolarHBondContact O-N 3.41Å; K112-V116 WeakPolarHBondContact O-CG2 3.47Å; K112-V116 PolarHBondContact O-N 3.3Å; K112-H131 HydrophobicContact CB-CB 4.27Å
113D97.4Very high97.8Very high126 Ų12648.1 Ų48.167%0.67424%0.243SC*.Hα-helixtrans-67.7-40.4179.4-60.1-24.5000110.9N111 V116 I117N111-D113 PolarHBondContact O-N 3.14Å; N111-D113 PolarHBondContact OD1-N 3.48Å; N111-D113 VanDerWaalsContact OD1-N 3.11Å; D113-V116 PolarHBondContact O-N 2.72Å; D113-I117 WeakPolarHBondContact O-CG1 3.23Å; D113-I117 PolarHBondContact O-N 3.1Å
114E97.7Very high97.8Very high21 Ų2156.7 Ų56.710%0.09828%0.279CS..Hα-helixtrans-67.8-36.1176.2-70.2-178.7127.700112.5P110 N111 I117 L118 N283 R320P110-E114 HydrophobicContact CB-CB 3.77Å; N111-E114 PolarHBondContact ND2-OE2 3.42Å; N111-E114 PolarHBondContact O-N 3.41Å; N111-E114 WeakPolarHBondContact OD1-CG 3.48Å; N111-E114 PolarHBondContact OD1-N 2.69Å; E114-I117 PolarHBondContact O-N 3.48Å; E114-L118 WeakPolarHBondContact O-CB 3.24Å; E114-L118 VanDerWaalsContact O-CG 3.23Å; E114-L118 WeakPolarHBondContact O-CG 3.27Å; E114-L118 PolarHBondContact O-N 3.23Å; E114-N283 PolarHBondContact OE2-ND2 2.88Å; E114-N283 PolarHBondContact OE2-OD1 3.05Å; E114-N283 VanDerWaalsContact OE2-OD1 3.09Å; E114-R320 IonicContact OE1-CZ 3.54Å; E114-R320 IonicContact OE1-NH1 2.85Å; E114-R320 PolarHBondContact OE1-NH1 2.84Å; E114-R320 IonicContact OE1-NH2 2.62Å; E114-R320 PolarHBondContact OE1-NH2 3.34Å
115A98.2Very high97.8Very high0 Ų058 Ų580%029%0.287CS..Hα-helixtrans-62.1-42.4177.100000111.9P110 N111 K112 L118 H119 N130P110-A115 HydrophobicContact CB-CB 4.33Å; P110-A115 HydrophobicContact CG-CB 3.93Å; N111-A115 WeakPolarHBondContact O-CB 3.43Å; N111-A115 PolarHBondContact O-N 3.21Å; K112-A115 PolarHBondContact O-N 3.41Å; A115-L118 PolarHBondContact O-N 3.02Å; A115-H119 VanDerWaalsContact O-CB 3.25Å; A115-H119 WeakPolarHBondContact O-CB 3.47Å; A115-H119 PolarHBondContact O-N 2.89Å; A115-N130 VanDerWaalsContact CB-C 3.48Å; A115-N130 WeakPolarHBondContact CB-O 3.3Å
116V98.4Very high97.8Very high53 Ų5357.7 Ų57.732%0.32128%0.284SS..Hα-helixtrans-57.3-51.3174.4173.40000110.4K112 D113 L118 H119 E120 P129K112-V116 WeakPolarHBondContact O-CG2 3.47Å; K112-V116 PolarHBondContact O-N 3.3Å; D113-V116 PolarHBondContact O-N 2.72Å; V116-L118 PolarHBondContact O-N 3.48Å; V116-H119 PolarHBondContact O-N 3.01Å; V116-E120 WeakPolarHBondContact O-CG 3.31Å; V116-E120 PolarHBondContact O-N 3.49Å; V116-P129 HydrophobicContact CG2-CB 3.97Å
117I98.2Very high97.7Very high102 Ų10260.2 Ų60.252%0.52330%0.3SS..Hα-helixtrans-62.9-42.6-178.5-64.3166.2000111.4D113 E114 K121D113-I117 WeakPolarHBondContact O-CG1 3.23Å; D113-I117 PolarHBondContact O-N 3.1Å; E114-I117 PolarHBondContact O-N 3.48Å; I117-K121 WeakPolarHBondContact O-CB 3.33Å; I117-K121 PolarHBondContact O-N 3.48Å; I117-K121 VanDerWaalsContact O-N 3.1Å
118L98.2Very high97.7Very high5 Ų560.6 Ų60.63%0.02630%0.303CS..Hα-helixtrans-66.1-42.7179.2-73.7173.3000111.6P110 E114 A115 V116 K121 D122 Y126 V304 N317 M321P110-L118 HydrophobicContact CB-CD1 3.85Å; P110-L118 HydrophobicContact CG-CD1 4.06Å; E114-L118 WeakPolarHBondContact O-CB 3.24Å; E114-L118 VanDerWaalsContact O-CG 3.23Å; E114-L118 WeakPolarHBondContact O-CG 3.27Å; E114-L118 PolarHBondContact O-N 3.23Å; A115-L118 PolarHBondContact O-N 3.02Å; V116-L118 PolarHBondContact O-N 3.48Å; L118-K121 PolarHBondContact O-N 2.91Å; L118-D122 PolarHBondContact O-N 3.09Å; L118-Y126 HydrophobicContact CB-CD1 4.08Å; L118-Y126 HydrophobicContact CB-CD2 3.72Å; L118-Y126 HydrophobicContact CB-CE2 4.19Å; L118-Y126 HydrophobicContact CB-CG 3.64Å; L118-Y126 HydrophobicContact CD1-CD1 4.12Å; L118-Y126 HydrophobicContact CD1-CE1 3.97Å; L118-Y126 HydrophobicContact CD2-CD2 4.18Å; L118-Y126 HydrophobicContact CD2-CE2 3.78Å; L118-Y126 HydrophobicContact CG-CD2 4.41Å; L118-Y126 HydrophobicContact CG-CE2 4.41Å; L118-Y126 HydrophobicContact CG-CG 4.49Å; L118-V304 HydrophobicContact CD1-CG2 4.39Å; L118-N317 HydrophobicContact CD2-CB 4.46Å; L118-M321 HydrophobicContact CD1-CE 4.17Å
119H98.3Very high97.6Very high55 Ų5563.6 Ų63.626%0.25532%0.323SS..Hα-helixtrans-63.1-44.3177.2-178.560.1000112.1A115 V116 K121 P123 Y126 P127 D128 P129A115-H119 VanDerWaalsContact O-CB 3.25Å; A115-H119 WeakPolarHBondContact O-CB 3.47Å; A115-H119 PolarHBondContact O-N 2.89Å; V116-H119 PolarHBondContact O-N 3.01Å; H119-K121 VanDerWaalsContact C-N 3.31Å; H119-K121 PolarHBondContact O-N 3.4Å; H119-P123 WeakPolarHBondContact O-CA 3.42Å; H119-P123 VanDerWaalsContact O-CB 3.31Å; H119-P123 WeakPolarHBondContact O-CB 3.41Å; H119-P123 VanDerWaalsContact O-CD 3.24Å; H119-P123 WeakPolarHBondContact O-CD 3.41Å; H119-Y126 WeakPolarHBondContact CA-O 3.18Å; H119-Y126 PolarHBondContact ND1-O 3.34Å; H119-P127 VanDerWaalsContact CE1-C 3.47Å; H119-P127 PolarHBondContact CE1-O 3.23Å; H119-P127 VanDerWaalsContact ND1-C 3.32Å; H119-P127 PolarHBondContact ND1-O 2.65Å; H119-D128 PolarHBondContact ND1-N 2.67Å; H119-P129 HydrophobicContact CB-CB 4.39Å
120E98.3Very high97.6Very high150 Ų15065.3 Ų65.370%0.70133%0.332SS*.Hα-helixtrans-62.6-38.5176.5-73.8177.3174.500112.2V116V116-E120 WeakPolarHBondContact O-CG 3.31Å; V116-E120 PolarHBondContact O-N 3.49Å
121K98.1Very high97.6Very high163 Ų16367 Ų6771%0.70934%0.339SS*.Hα-helixtrans-80.7-40.3-176.1-173.2-179.6177.1-173.40113.6I117 L118 H119I117-K121 WeakPolarHBondContact O-CB 3.33Å; I117-K121 PolarHBondContact O-N 3.48Å; I117-K121 VanDerWaalsContact O-N 3.1Å; L118-K121 PolarHBondContact O-N 2.91Å; H119-K121 VanDerWaalsContact C-N 3.31Å; H119-K121 PolarHBondContact O-N 3.4Å
122D98Very high97.6Very high46 Ų4665.1 Ų65.125%0.24633%0.329CS..  trans-144.671.6-176.4-176.37000111.3L118 K124 N125 Y126L118-D122 PolarHBondContact O-N 3.09Å; D122-K124 PolarHBondContact O-N 3.32Å; D122-N125 PolarHBondContact O-N 3Å; D122-N125 PolarHBondContact OD1-N 2.97Å; D122-N125 PolarHBondContact OD1-ND2 3.38Å; D122-N125 WeakPolarHBondContact OD2-CB 3.4Å; D122-N125 PolarHBondContact OD2-ND2 3.2Å; D122-Y126 HydrophobicContact CB-CD2 4.02Å; D122-Y126 HydrophobicContact CB-CE2 4.37Å; D122-Y126 WeakPolarHBondContact O-CD2 3.34Å; D122-Y126 PolarHBondContact O-N 3.4Å
123P97.5Very high97.6Very high75 Ų7560.4 Ų60.449%0.48731%0.309SS..THydrogen-bonded Turntrans-65.1-14.8-175.524.6-33.6000113.5H119 Y126 P127H119-P123 WeakPolarHBondContact O-CA 3.42Å; H119-P123 VanDerWaalsContact O-CB 3.31Å; H119-P123 WeakPolarHBondContact O-CB 3.41Å; H119-P123 VanDerWaalsContact O-CD 3.24Å; H119-P123 WeakPolarHBondContact O-CD 3.41Å; P123-Y126 WeakPolarHBondContact CA-O 3.49Å; P123-P127 WeakPolarHBondContact O-CA 3.3Å
124K97.7Very high97.7Very high184 Ų18454.6 Ų54.680%0.828%0.278SS*.THydrogen-bonded Turntrans-71.3-42.4176.7179.8-177.4175.8-176.20111.4D122D122-K124 PolarHBondContact O-N 3.32Å
125N97.2Very high97.7Very high51 Ų5153.7 Ų53.727%0.27327%0.273SS..THydrogen-bonded Turntrans-94.7-23.7-178.9-67.7-55.6000112.7D122 F312D122-N125 PolarHBondContact O-N 3Å; D122-N125 PolarHBondContact OD1-N 2.97Å; D122-N125 PolarHBondContact OD1-ND2 3.38Å; D122-N125 WeakPolarHBondContact OD2-CB 3.4Å; D122-N125 PolarHBondContact OD2-ND2 3.2Å; N125-F312 HydrophobicContact CB-CD1 3.79Å; N125-F312 HydrophobicContact CB-CE1 3.76Å; N125-F312 WeakPolarHBondContact OD1-CD1 3.4Å
126Y98Very high97.7Very high2 Ų253.7 Ų53.71%0.00827%0.273CS..SBendtrans-119.884.9176.5-55.9-69.7000109.1L118 H119 D122 P123 D128 N302 V304 D314L118-Y126 HydrophobicContact CB-CD1 4.08Å; L118-Y126 HydrophobicContact CB-CD2 3.72Å; L118-Y126 HydrophobicContact CB-CE2 4.19Å; L118-Y126 HydrophobicContact CB-CG 3.64Å; L118-Y126 HydrophobicContact CD1-CD1 4.12Å; L118-Y126 HydrophobicContact CD1-CE1 3.97Å; L118-Y126 HydrophobicContact CD2-CD2 4.18Å; L118-Y126 HydrophobicContact CD2-CE2 3.78Å; L118-Y126 HydrophobicContact CG-CD2 4.41Å; L118-Y126 HydrophobicContact CG-CE2 4.41Å; L118-Y126 HydrophobicContact CG-CG 4.49Å; H119-Y126 WeakPolarHBondContact CA-O 3.18Å; H119-Y126 PolarHBondContact ND1-O 3.34Å; D122-Y126 HydrophobicContact CB-CD2 4.02Å; D122-Y126 HydrophobicContact CB-CE2 4.37Å; D122-Y126 WeakPolarHBondContact O-CD2 3.34Å; D122-Y126 PolarHBondContact O-N 3.4Å; P123-Y126 WeakPolarHBondContact CA-O 3.49Å; Y126-D128 VanDerWaalsContact C-N 3.29Å; Y126-D128 PolarHBondContact O-N 3.37Å; Y126-N302 WeakPolarHBondContact CA-OD1 3.41Å; Y126-N302 WeakPolarHBondContact CB-OD1 3.27Å; Y126-V304 HydrophobicContact CE1-CG2 3.64Å; Y126-D314 WeakPolarHBondContact OH-CB 3.3Å; Y126-D314 PolarHBondContact OH-OD2 2.75Å; Y126-D314 VanDerWaalsContact OH-OD2 3.06Å
127P97Very high97.8Very high56 Ų5651.2 Ų51.236%0.36426%0.258SS..  trans-76.9-10.1-164.131.3-38.4000114.9H119 P123 D301 N302H119-P127 VanDerWaalsContact CE1-C 3.47Å; H119-P127 PolarHBondContact CE1-O 3.23Å; H119-P127 VanDerWaalsContact ND1-C 3.32Å; H119-P127 PolarHBondContact ND1-O 2.65Å; P123-P127 WeakPolarHBondContact O-CA 3.3Å; P127-D301 HydrophobicContact CG-CB 3.48Å; P127-D301 VanDerWaalsContact CG-CB 3.48Å; P127-N302 WeakPolarHBondContact CD-OD1 3.47Å
128D96.8Very high97.8Very high28 Ų2846.4 Ų46.415%0.1523%0.234CC..SBendtrans-141.7155.6-178.462.684.6000111.8H119 Y126 N130 S300 D301 N302H119-D128 PolarHBondContact ND1-N 2.67Å; Y126-D128 VanDerWaalsContact C-N 3.29Å; Y126-D128 PolarHBondContact O-N 3.37Å; D128-N130 PolarHBondContact O-N 2.95Å; D128-N130 WeakPolarHBondContact OD1-CA 3.37Å; D128-N130 VanDerWaalsContact OD1-CB 3.27Å; D128-N130 WeakPolarHBondContact OD1-CB 3.45Å; D128-N130 PolarHBondContact OD1-N 3.28Å; D128-S300 VanDerWaalsContact CG-OG 3.3Å; D128-S300 VanDerWaalsContact OD1-CB 3.3Å; D128-S300 WeakPolarHBondContact OD1-CB 3.4Å; D128-S300 PolarHBondContact OD1-OG 3.24Å; D128-S300 WeakPolarHBondContact OD2-CA 3.17Å; D128-S300 PolarHBondContact OD2-OG 2.87Å; D128-D301 PolarHBondContact OD2-N 3.32Å; D128-N302 PolarHBondContact O-ND2 2.84Å; D128-N302 PolarHBondContact O-OD1 2.86Å; D128-N302 PolarHBondContact OD1-ND2 3.38Å
129P96.9Very high97.8Very high63 Ų6348 Ų4841%0.40924%0.242SC..SBendtrans-87.122.9178.236-36.9000112.9V116 H119V116-P129 HydrophobicContact CG2-CB 3.97Å; H119-P129 HydrophobicContact CB-CB 4.39Å
130N97Very high97.8Very high37 Ų3746.5 Ų46.520%0.19824%0.238CC..  trans-105.7151.8-173.4-159.324.7000112.4A115 D128 C299 S300 N302A115-N130 VanDerWaalsContact CB-C 3.48Å; A115-N130 WeakPolarHBondContact CB-O 3.3Å; D128-N130 PolarHBondContact O-N 2.95Å; D128-N130 WeakPolarHBondContact OD1-CA 3.37Å; D128-N130 VanDerWaalsContact OD1-CB 3.27Å; D128-N130 WeakPolarHBondContact OD1-CB 3.45Å; D128-N130 PolarHBondContact OD1-N 3.28Å; N130-C299 PolarHBondContact ND2-O 3.19Å; N130-S300 PolarHBondContact O-OG 2.85Å; N130-N302 PolarHBondContact O-ND2 2.88Å
131H97.5Very high97.8Very high34 Ų3442.6 Ų42.616%0.15723%0.226CC..  trans-73.7165.5167.368.1173.6000111.2P110 K112 S300 E353P110-H131 WeakPolarHBondContact O-CB 3.39Å; K112-H131 HydrophobicContact CB-CB 4.27Å; H131-S300 VanDerWaalsContact O-CB 3.31Å; H131-S300 WeakPolarHBondContact O-CB 3.38Å; H131-E353 IonicContact CD2-OE1 2.69Å; H131-E353 IonicContact CE1-OE1 3.41Å; H131-E353 PolarHBondContact CE1-OE1 2.9Å; H131-E353 IonicContact NE2-OE1 3.26Å; H131-E353 PolarHBondContact NE2-OE1 3.44Å; H131-E353 IonicContact NE2-OE2 2.87Å
132K97.6Very high97.9Very high14 Ų1434.9 Ų34.96%0.06119%0.192CC..  trans-134.265.7179.2-168.1175.8168.2143.40111.5H109 E134 M297 S300 N302H109-K132 HydrophobicContact CB-CB 3.86Å; H109-K132 WeakPolarHBondContact CB-O 3.42Å; H109-K132 PolarHBondContact CD2-O 2.95Å; H109-K132 VanDerWaalsContact CD2-O 3.31Å; K132-E134 WeakPolarHBondContact CE-OE1 3.22Å; K132-E134 HydrophobicContact CG-CG 4.13Å; K132-E134 IonicContact NZ-OE1 2.8Å; K132-E134 WeakPolarHBondContact O-CG 3.3Å; K132-M297 HydrophobicContact CD-CE 3.9Å; K132-M297 HydrophobicContact CG-CE 3.88Å; K132-S300 VanDerWaalsContact CD-O 3.26Å; K132-S300 WeakPolarHBondContact CD-O 3.47Å; K132-S300 WeakPolarHBondContact CE-O 3.4Å; K132-S300 PolarHBondContact NZ-O 2.87Å; K132-N302 WeakPolarHBondContact CD-O 3.34Å
133P96.9Very high97.9Very high4 Ų434 Ų343%0.02619%0.186CC..  trans-64.1139.1166.127.5-35.2000110.1F279 M297 A298 V351P133-F279 HydrophobicContact CB-CE2 3.86Å; P133-F279 HydrophobicContact CB-CZ 4Å; P133-M297 VanDerWaalsContact O-CA 3.28Å; P133-M297 WeakPolarHBondContact O-CA 3.48Å; P133-A298 HydrophobicContact CG-CB 3.88Å; P133-A298 PolarHBondContact O-N 2.87Å; P133-V351 HydrophobicContact CB-CG1 3.68Å; P133-V351 HydrophobicContact CG-CB 4.44Å; P133-V351 HydrophobicContact CG-CG1 3.88Å
134E98Very high98Very high4 Ų430.4 Ų30.42%0.01916%0.163CC..EExtended strand (participates in β ladder)trans-132.1156.6-177.3-44.6-174.614200110.9H109 K132 F279 L280 H286 C296 M297H109-E134 IonicContact CD2-OE2 2.76Å; H109-E134 IonicContact CE1-OE1 2.68Å; H109-E134 VanDerWaalsContact NE2-CD 3.33Å; H109-E134 IonicContact NE2-OE1 3.18Å; H109-E134 PolarHBondContact NE2-OE1 3.45Å; H109-E134 IonicContact NE2-OE2 2.73Å; H109-E134 PolarHBondContact NE2-OE2 3.02Å; K132-E134 WeakPolarHBondContact CE-OE1 3.22Å; K132-E134 HydrophobicContact CG-CG 4.13Å; K132-E134 IonicContact NZ-OE1 2.8Å; K132-E134 WeakPolarHBondContact O-CG 3.3Å; E134-F279 WeakPolarHBondContact O-CD2 3.26Å; E134-L280 HydrophobicContact CB-CB 4.22Å; E134-L280 HydrophobicContact CB-CD1 4.28Å; E134-L280 PolarHBondContact N-O 2.71Å; E134-L280 PolarHBondContact O-N 2.93Å; E134-H286 IonicContact OE2-NE2 2.7Å; E134-C296 CarbonylContact C-O 3.49Å; E134-C296 WeakPolarHBondContact CA-O 3.32Å; E134-M297 HydrophobicContact CB-CB 4.13Å; E134-M297 HydrophobicContact CG-CB 3.79Å
135M98.5Very high98Very high1 Ų121.6 Ų21.61%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-138.3131.2171.7178.6177.565.900108.9I137 V278 E295 C296 L334 P349 F354 V356M135-I137 HydrophobicContact CE-CD1 4.03Å; M135-I137 HydrophobicContact CE-CG1 4.39Å; M135-I137 HydrophobicContact CG-CG1 4.45Å; M135-V278 VanDerWaalsContact CA-O 3.29Å; M135-V278 WeakPolarHBondContact CA-O 3.34Å; M135-V278 WeakPolarHBondContact CG-O 3.44Å; M135-E295 CarbonylContact O-C 3.5Å; M135-E295 VanDerWaalsContact O-CA 3.29Å; M135-E295 WeakPolarHBondContact O-CA 3.35Å; M135-C296 PolarHBondContact N-O 3.5Å; M135-C296 PolarHBondContact O-N 3.39Å; M135-L334 HydrophobicContact CG-CD2 4.18Å; M135-L334 HydrophobicContact SD-CD2 3.29Å; M135-L334 WeakPolarHBondContact SD-CD2 3.42Å; M135-P349 HydrophobicContact CE-CG 4.36Å; M135-P349 HydrophobicContact SD-CB 4.33Å; M135-P349 HydrophobicContact SD-CG 3.84Å; M135-F354 HydrophobicContact CB-CE2 3.73Å; M135-F354 HydrophobicContact CB-CZ 4.23Å; M135-F354 HydrophobicContact CE-CD2 4.27Å; M135-F354 HydrophobicContact CE-CE2 4.1Å; M135-V356 HydrophobicContact CE-CB 3.7Å; M135-V356 HydrophobicContact CE-CG2 3.43Å; M135-V356 VanDerWaalsContact CE-CG2 3.43Å
136A98.8Very high98Very high0 Ų019.2 Ų19.20%011%0.112CC..EExtended strand (participates in β ladder)trans-110.5134.717200000110.4F142 A277 V278 Y288 C293 I294A136-F142 HydrophobicContact CB-CE1 4.29Å; A136-A277 CarbonylContact O-C 3.54Å; A136-A277 WeakPolarHBondContact O-CA 3.29Å; A136-A277 WeakPolarHBondContact O-CB 3.37Å; A136-V278 HydrophobicContact CB-CG1 3.98Å; A136-V278 PolarHBondContact N-O 2.79Å; A136-V278 PolarHBondContact O-N 2.88Å; A136-Y288 HydrophobicContact CB-CE1 4.25Å; A136-C293 HydrophobicContact CB-CB 4.45Å; A136-I294 CarbonylContact C-O 3.59Å; A136-I294 VanDerWaalsContact CA-O 3.29Å; A136-I294 WeakPolarHBondContact CA-O 3.45Å
137I98.9Very high98Very high1 Ų119.3 Ų19.31%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-120.6119.6173.7-49.7166000107.7M135 L139 A277 C293 I294 Y347 V356 F421M135-I137 HydrophobicContact CE-CD1 4.03Å; M135-I137 HydrophobicContact CE-CG1 4.39Å; M135-I137 HydrophobicContact CG-CG1 4.45Å; I137-L139 PolarHBondContact O-N 3.49Å; I137-A277 HydrophobicContact CB-CB 4.37Å; I137-A277 HydrophobicContact CG1-CB 3.9Å; I137-A277 HydrophobicContact CG2-CB 4.44Å; I137-C293 CarbonylContact O-C 3.49Å; I137-C293 VanDerWaalsContact O-CA 3.26Å; I137-C293 WeakPolarHBondContact O-CA 3.35Å; I137-C293 VanDerWaalsContact O-CB 3.29Å; I137-C293 WeakPolarHBondContact O-CB 3.48Å; I137-I294 HydrophobicContact CB-CB 4.23Å; I137-I294 HydrophobicContact CD1-CG2 4.38Å; I137-I294 PolarHBondContact N-O 2.78Å; I137-I294 PolarHBondContact O-N 2.85Å; I137-Y347 HydrophobicContact CD1-CD1 3.93Å; I137-Y347 HydrophobicContact CD1-CD2 3.58Å; I137-Y347 HydrophobicContact CD1-CE1 4.27Å; I137-Y347 HydrophobicContact CD1-CE2 3.96Å; I137-Y347 HydrophobicContact CD1-CG 3.56Å; I137-Y347 HydrophobicContact CG1-CD1 3.94Å; I137-Y347 HydrophobicContact CG1-CD2 4.46Å; I137-Y347 HydrophobicContact CG1-CE1 4.16Å; I137-Y347 HydrophobicContact CG1-CG 4.1Å; I137-Y347 HydrophobicContact CG2-CD1 4.44Å; I137-Y347 HydrophobicContact CG2-CE1 3.78Å; I137-Y347 HydrophobicContact CG2-CE2 4.23Å; I137-V356 HydrophobicContact CD1-CB 4.05Å; I137-V356 HydrophobicContact CD1-CG1 3.77Å; I137-F421 HydrophobicContact CB-CE1 4.48Å; I137-F421 HydrophobicContact CD1-CD1 4.37Å; I137-F421 HydrophobicContact CD1-CE1 3.96Å; I137-F421 HydrophobicContact CG2-CE1 4.1Å; I137-F421 HydrophobicContact CG2-CZ 4.38Å
138A98.8Very high98.1Very high2 Ų216.7 Ų16.72%0.01710%0.096CC..EExtended strand (participates in β ladder)trans-66.1131.6-174.400000112.3S140 F142 L272 Q273 P274 G275 E276A138-S140 WeakPolarHBondContact CB-O 3.24Å; A138-F142 HydrophobicContact CB-CB 3.85Å; A138-L272 HydrophobicContact CB-CB 3.72Å; A138-Q273 VanDerWaalsContact CB-O 3.31Å; A138-Q273 WeakPolarHBondContact CB-O 3.43Å; A138-P274 WeakPolarHBondContact O-CA 3.48Å; A138-G275 PolarHBondContact O-N 3.05Å; A138-E276 PolarHBondContact N-O 2.77Å
139L98.5Very high98.1Very high39 Ų3916.1 Ų16.120%0.2049%0.092CC..SBendtrans-101.5-29.8170.4-67.6176.1000111.6K21 V97 I137 D292 I294 F421K21-L139 HydrophobicContact CG-CD1 4.14Å; V97-L139 HydrophobicContact CG1-CD1 4.1Å; I137-L139 PolarHBondContact O-N 3.49Å; L139-D292 HydrophobicContact CB-CB 4.17Å; L139-D292 WeakPolarHBondContact CB-O 3.08Å; L139-D292 PolarHBondContact N-O 2.96Å; L139-I294 HydrophobicContact CD1-CD1 4.04Å; L139-I294 HydrophobicContact CD1-CG1 4.02Å; L139-I294 HydrophobicContact CD2-CG1 3.92Å; L139-I294 HydrophobicContact CG-CG1 4.03Å; L139-F421 HydrophobicContact CD2-CE2 3.78Å; L139-F421 HydrophobicContact CD2-CZ 4.08Å
140S98.5Very high98.1Very high23 Ų2314 Ų1416%0.1618%0.078CC..SBendtrans-122.6177.2166.875.40000108.6A138 F142 G291 D292A138-S140 WeakPolarHBondContact CB-O 3.24Å; S140-F142 PolarHBondContact O-N 2.85Å; S140-G291 WeakPolarHBondContact OG-CA 3.48Å; S140-D292 PolarHBondContact N-O 2.91Å; S140-D292 PolarHBondContact OG-N 2.72Å
141P98.6Very high98.1Very high68 Ų6813.1 Ų13.144%0.4427%0.073SC..  trans-46.8121158.2-27.737000109.4L272P141-L272 WeakPolarHBondContact CA-O 3.34Å
142F98.8Very high98Very high0 Ų017.8 Ų17.80%010%0.095CC..EExtended strand (participates in β ladder)trans-125.5109.5-171.1-173.3-99.8000110V100 A136 A138 S140 L144 C271 L272 Y288 F290 C293V100-F142 HydrophobicContact CG2-CE2 3.97Å; V100-F142 HydrophobicContact CG2-CZ 4.46Å; A136-F142 HydrophobicContact CB-CE1 4.29Å; A138-F142 HydrophobicContact CB-CB 3.85Å; S140-F142 PolarHBondContact O-N 2.85Å; F142-L144 HydrophobicContact CD1-CD2 4.41Å; F142-C271 PolarHBondContact N-SG 3.32Å; F142-C271 VanDerWaalsContact N-SG 3.45Å; F142-C271 CarbonylContact O-C 3.56Å; F142-C271 WeakPolarHBondContact O-CA 3.35Å; F142-L272 HydrophobicContact CB-CB 4.33Å; F142-L272 HydrophobicContact CD1-CD1 4.29Å; F142-L272 PolarHBondContact N-O 3.08Å; F142-L272 PolarHBondContact O-N 3.35Å; F142-Y288 AromaticContact CE1-CD1 3.53Å; F142-Y288 HydrophobicContact CE1-CD1 3.53Å; F142-Y288 HydrophobicContact CE1-CD2 4.45Å; F142-Y288 AromaticContact CE1-CE1 3.91Å; F142-Y288 HydrophobicContact CE1-CE1 3.91Å; F142-Y288 AromaticContact CE1-CG 3.84Å; F142-Y288 HydrophobicContact CE1-CG 3.84Å; F142-Y288 AromaticContact CZ-CD1 3.64Å; F142-Y288 HydrophobicContact CZ-CD1 3.64Å; F142-Y288 AromaticContact CZ-CD2 3.76Å; F142-Y288 HydrophobicContact CZ-CD2 3.76Å; F142-Y288 HydrophobicContact CZ-CE1 4.17Å; F142-Y288 HydrophobicContact CZ-CE2 4.3Å; F142-Y288 AromaticContact CZ-CG 3.42Å; F142-Y288 HydrophobicContact CZ-CG 3.42Å; F142-Y288 VanDerWaalsContact CZ-CG 3.42Å; F142-F290 CarbonylContact C-O 3.5Å; F142-F290 WeakPolarHBondContact CA-O 3.49Å; F142-C293 HydrophobicContact CD1-CB 4.42Å; F142-C293 HydrophobicContact CD2-CB 3.77Å; F142-C293 HydrophobicContact CE1-CB 4.35Å; F142-C293 HydrophobicContact CE2-CB 3.71Å; F142-C293 VanDerWaalsContact CE2-SG 3.51Å; F142-C293 HydrophobicContact CG-CB 4.13Å; F142-C293 HydrophobicContact CZ-CB 3.99Å; F142-C293 WeakPolarHBondContact CZ-SG 3.39Å
143E98.7Very high97.9Very high27 Ų2719 Ų1913%0.12610%0.101CC..EExtended strand (participates in β ladder)trans-95134.2-172.2-169.4-170.8-15800110.7R250 H269 L289 F290E143-R250 IonicContact OE1-NH2 3.6Å; E143-R250 PolarHBondContact OE1-NH2 3.28Å; E143-R250 IonicContact OE2-CZ 2.74Å; E143-R250 IonicContact OE2-NH1 2.73Å; E143-R250 PolarHBondContact OE2-NH1 3.46Å; E143-R250 IonicContact OE2-NH2 3.11Å; E143-R250 PolarHBondContact OE2-NH2 3.33Å; E143-H269 WeakPolarHBondContact CG-NE2 3.42Å; E143-H269 IonicContact OE1-CD2 3.9Å; E143-H269 IonicContact OE1-CE1 2.68Å; E143-H269 PolarHBondContact OE1-CE1 3.48Å; E143-H269 IonicContact OE1-NE2 3.63Å; E143-H269 PolarHBondContact OE1-NE2 2.83Å; E143-L289 HydrophobicContact CB-CB 4.2Å; E143-L289 HydrophobicContact CG-CB 4.03Å; E143-L289 HydrophobicContact CG-CD1 4.02Å; E143-L289 WeakPolarHBondContact O-CB 3.17Å; E143-L289 PolarHBondContact O-N 2.78Å; E143-F290 HydrophobicContact CB-CB 4.23Å; E143-F290 PolarHBondContact N-O 3.14Å; E143-F290 PolarHBondContact O-N 2.73Å
144L98.7Very high98Very high0 Ų018.9 Ų18.90%010%0.1CC..EExtended strand (participates in β ladder)trans-150.1162.3-177.669.9167.2000113.1F142 C146 F270 L272 V278 A287 Y288F142-L144 HydrophobicContact CD1-CD2 4.41Å; L144-C146 HydrophobicContact CD1-CB 4.18Å; L144-F270 HydrophobicContact CD1-CE2 4.33Å; L144-F270 HydrophobicContact CD1-CZ 3.99Å; L144-F270 HydrophobicContact CD2-CD2 3.84Å; L144-F270 HydrophobicContact CD2-CE1 4.47Å; L144-F270 HydrophobicContact CD2-CE2 3.59Å; L144-F270 HydrophobicContact CD2-CG 4.39Å; L144-F270 HydrophobicContact CD2-CZ 3.94Å; L144-F270 HydrophobicContact CG-CE1 4.26Å; L144-F270 HydrophobicContact CG-CE2 4.14Å; L144-F270 HydrophobicContact CG-CZ 3.94Å; L144-F270 PolarHBondContact N-O 3.23Å; L144-F270 PolarHBondContact O-N 3Å; L144-L272 HydrophobicContact CD2-CD1 4.3Å; L144-L272 HydrophobicContact CD2-CG 4Å; L144-V278 HydrophobicContact CD1-CG1 3.81Å; L144-A287 CarbonylContact C-O 3.58Å; L144-A287 WeakPolarHBondContact CA-O 3.4Å; L144-A287 WeakPolarHBondContact CB-O 3.38Å; L144-Y288 HydrophobicContact CB-CD1 4.11Å
145L98.4Very high98Very high0 Ų019.2 Ų19.20%010%0.102CC..EExtended strand (participates in β ladder)trans-101.1134.9158.6-57.2178.1000108.8I106 A263 P264 L267 N268 H269 H286 A287 L289I106-L145 HydrophobicContact CD1-CD1 3.75Å; L145-A263 HydrophobicContact CD1-CB 3.91Å; L145-P264 HydrophobicContact CD1-CG 4.15Å; L145-P264 HydrophobicContact CD2-CB 4.27Å; L145-P264 HydrophobicContact CD2-CG 4.19Å; L145-L267 HydrophobicContact CB-CB 4.17Å; L145-L267 HydrophobicContact CB-CD1 4.2Å; L145-N268 CarbonylContact C-O 3.59Å; L145-N268 WeakPolarHBondContact CA-O 3.4Å; L145-H269 HydrophobicContact CD2-CB 3.68Å; L145-H286 CarbonylContact O-C 3.6Å; L145-H286 WeakPolarHBondContact O-CA 3.37Å; L145-H286 VanDerWaalsContact O-CB 3.24Å; L145-H286 WeakPolarHBondContact O-CB 3.45Å; L145-A287 HydrophobicContact CB-CB 4.46Å; L145-A287 PolarHBondContact N-O 3.11Å; L145-A287 PolarHBondContact O-N 3.15Å; L145-L289 HydrophobicContact CD1-CD2 4.33Å; L145-L289 HydrophobicContact CD2-CD1 4.05Å; L145-L289 HydrophobicContact CG-CD1 3.92Å; L145-L289 HydrophobicContact CG-CD2 4.16Å; L145-L289 HydrophobicContact CG-CG 4.27Å
146C98Very high97.9Very high1 Ų123.4 Ų23.41%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-156.5134.5173.3-172.20000112.5L144 N268 F270 L280 A285 H286 I332L144-C146 HydrophobicContact CD1-CB 4.18Å; C146-N268 PolarHBondContact N-O 3.26Å; C146-N268 WeakPolarHBondContact O-CB 3.13Å; C146-N268 PolarHBondContact O-ND2 3.21Å; C146-F270 HydrophobicContact CB-CE1 3.93Å; C146-F270 HydrophobicContact CB-CZ 4.12Å; C146-L280 HydrophobicContact CB-CD2 4.41Å; C146-L280 WeakPolarHBondContact SG-CD2 3.33Å; C146-A285 CarbonylContact C-O 3.59Å; C146-A285 WeakPolarHBondContact CA-O 3.15Å; C146-H286 HydrophobicContact CB-CB 4.23Å; C146-I332 HydrophobicContact CB-CG2 4.16Å; C146-I332 VanDerWaalsContact O-CD1 3.24Å; C146-I332 WeakPolarHBondContact O-CD1 3.42Å; C146-I332 VanDerWaalsContact SG-CG2 3.54Å
147S97.5Very high97.9Very high4 Ų423.4 Ų23.43%0.02812%0.121CC..EExtended strand (participates in β ladder)trans55163.9-179.7-57.10000114.1L267 N268 E284 A285S147-L267 CarbonylContact O-C 3.58Å; S147-L267 VanDerWaalsContact O-CA 3.22Å; S147-L267 WeakPolarHBondContact O-CA 3.39Å; S147-N268 PolarHBondContact O-N 3.49Å; S147-N268 PolarHBondContact O-ND2 3.39Å; S147-E284 WeakPolarHBondContact CB-OE2 3.45Å; S147-E284 PolarHBondContact OG-OE2 2.98Å; S147-A285 PolarHBondContact N-O 2.91Å
148F98.4Very high97.8Very high1 Ų123.5 Ų23.50%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-73.7142.5178.2-69-86000111.2I154 L193 F197 F266 L267 N268 L322 Y324 R325 T326 V327F148-I154 HydrophobicContact CB-CD1 4.38Å; F148-I154 HydrophobicContact CD1-CD1 4.45Å; F148-L193 HydrophobicContact CB-CD2 4.03Å; F148-L193 HydrophobicContact CD1-CD1 4.29Å; F148-L193 HydrophobicContact CD1-CD2 3.91Å; F148-L193 HydrophobicContact CD1-CG 4.33Å; F148-L193 HydrophobicContact CD2-CD2 4.37Å; F148-L193 HydrophobicContact CE1-CD2 4.47Å; F148-L193 HydrophobicContact CG-CD2 3.84Å; F148-F197 HydrophobicContact CE1-CB 4.32Å; F148-F197 HydrophobicContact CE1-CD1 4.05Å; F148-F197 AromaticContact CE1-CD2 3.88Å; F148-F197 HydrophobicContact CE1-CD2 3.88Å; F148-F197 HydrophobicContact CE1-CE1 4.29Å; F148-F197 HydrophobicContact CE1-CE2 4.15Å; F148-F197 AromaticContact CE1-CG 3.82Å; F148-F197 HydrophobicContact CE1-CG 3.82Å; F148-F197 HydrophobicContact CE1-CZ 4.34Å; F148-F197 AromaticContact CZ-CD1 3.78Å; F148-F197 HydrophobicContact CZ-CD1 3.78Å; F148-F197 HydrophobicContact CZ-CD2 4.44Å; F148-F197 AromaticContact CZ-CE1 3.96Å; F148-F197 HydrophobicContact CZ-CE1 3.96Å; F148-F197 HydrophobicContact CZ-CG 4.02Å; F148-F197 HydrophobicContact CZ-CZ 4.38Å; F148-F266 WeakPolarHBondContact CA-O 3.49Å; F148-F266 HydrophobicContact CD1-CB 4.11Å; F148-F266 HydrophobicContact CE1-CB 4.18Å; F148-L267 HydrophobicContact CD1-CD2 3.87Å; F148-L267 HydrophobicContact CD2-CD2 4.49Å; F148-L267 HydrophobicContact CE1-CD2 3.95Å; F148-L267 HydrophobicContact CG-CD2 4.16Å; F148-L267 HydrophobicContact CZ-CD2 4.31Å; F148-N268 VanDerWaalsContact C-ND2 3.3Å; F148-N268 PolarHBondContact O-ND2 2.88Å; F148-L322 HydrophobicContact CE2-CB 4.46Å; F148-L322 HydrophobicContact CE2-CD1 4.2Å; F148-L322 HydrophobicContact CZ-CD1 4.03Å; F148-Y324 HydrophobicContact CD2-CD1 4.24Å; F148-Y324 HydrophobicContact CE1-CD1 4.36Å; F148-Y324 HydrophobicContact CE1-CE1 4.46Å; F148-Y324 AromaticContact CE2-CD1 3.53Å; F148-Y324 HydrophobicContact CE2-CD1 3.53Å; F148-Y324 AromaticContact CE2-CE1 3.93Å; F148-Y324 HydrophobicContact CE2-CE1 3.93Å; F148-Y324 HydrophobicContact CE2-CG 4.27Å; F148-Y324 AromaticContact CZ-CD1 3.61Å; F148-Y324 HydrophobicContact CZ-CD1 3.61Å; F148-Y324 AromaticContact CZ-CE1 3.62Å; F148-Y324 HydrophobicContact CZ-CE1 3.62Å; F148-R325 WeakPolarHBondContact CB-O 3.29Å; F148-R325 PolarHBondContact N-O 3.31Å; F148-T326 HydrophobicContact CB-CG2 4.1Å; F148-T326 WeakPolarHBondContact O-CA 3.31Å; F148-V327 PolarHBondContact O-N 2.9Å
149R98.2Very high97.7Very high15 Ų1529 Ų296%0.05715%0.147CC..PPolyproline II helixtrans-59157.8171.7-69.4175.7178.3-89.72.5111.1L151 E153 I154 P264 F266 L267 N268 T326R149-L151 PolarHBondContact O-N 3.05Å; R149-E153 HydrophobicContact CB-CB 4.06Å; R149-E153 IonicContact NH1-OE2 2.79Å; R149-E153 PolarHBondContact NH1-OE2 2.92Å; R149-I154 HydrophobicContact CB-CD1 4.3Å; R149-I154 HydrophobicContact CB-CG1 3.74Å; R149-P264 PolarHBondContact NE-O 2.68Å; R149-P264 PolarHBondContact NH2-O 2.8Å; R149-F266 PolarHBondContact N-O 2.96Å; R149-L267 PolarHBondContact NE-O 3.26Å; R149-N268 WeakPolarHBondContact CA-OD1 3.12Å; R149-N268 HydrophobicContact CG-CB 4.47Å; R149-T326 VanDerWaalsContact O-CB 3.23Å; R149-T326 WeakPolarHBondContact O-CB 3.42Å; R149-T326 WeakPolarHBondContact O-CG2 3.45Å
150P96.6Very high97.6Very high20 Ų2028.8 Ų28.813%0.1315%0.151CC..PPolyproline II helixtrans-48.4138.1164.4-25.935.8000110.8H152 E153 I154 V327P150-H152 WeakPolarHBondContact CB-CE1 3.43Å; P150-H152 PolarHBondContact O-N 2.66Å; P150-H152 VanDerWaalsContact O-N 3.09Å; P150-E153 HydrophobicContact CB-CG 4.26Å; P150-E153 HydrophobicContact CG-CG 4.38Å; P150-E153 WeakPolarHBondContact O-CB 3.28Å; P150-E153 PolarHBondContact O-N 3.23Å; P150-I154 PolarHBondContact O-N 3Å; P150-V327 WeakPolarHBondContact CD-O 3.38Å
151L96.2Very high97.5Very high18 Ų1827.7 Ų27.79%0.09414%0.143CC..Hα-helixtrans-59.4-32.5-169.7-174.459.7000113.4R149 E153 I154 M155 L176 A180 R189R149-L151 PolarHBondContact O-N 3.05Å; L151-E153 VanDerWaalsContact C-N 3.33Å; L151-E153 PolarHBondContact O-N 3.16Å; L151-I154 PolarHBondContact O-N 3.31Å; L151-M155 WeakPolarHBondContact O-CG 3.46Å; L151-M155 PolarHBondContact O-N 3.28Å; L151-L176 HydrophobicContact CD1-CD1 3.7Å; L151-L176 HydrophobicContact CD1-CD2 4.12Å; L151-L176 HydrophobicContact CD1-CG 3.97Å; L151-A180 HydrophobicContact CD2-CB 3.61Å; L151-A180 HydrophobicContact CG-CB 3.86Å; L151-R189 HydrophobicContact CD2-CB 4.25Å; L151-R189 HydrophobicContact CD2-CG 4.11Å
152H94.8Very high97.5Very high131 Ų13128.3 Ų28.361%0.60615%0.147SC*.Hα-helixtrans-65.3-33.8175.568.2-89.9000112.9P150 M155 Q156P150-H152 WeakPolarHBondContact CB-CE1 3.43Å; P150-H152 PolarHBondContact O-N 2.66Å; P150-H152 VanDerWaalsContact O-N 3.09Å; H152-M155 PolarHBondContact O-N 2.9Å; H152-Q156 PolarHBondContact O-N 2.72Å
153E97.1Very high97.5Very high41 Ų4129.1 Ų29.119%0.19215%0.151CC..Hα-helixtrans-69-40.7174.3-69.3-170.1-164.600111.5R149 P150 L151 M155 Q156 N157 L242R149-E153 HydrophobicContact CB-CB 4.06Å; R149-E153 IonicContact NH1-OE2 2.79Å; R149-E153 PolarHBondContact NH1-OE2 2.92Å; P150-E153 HydrophobicContact CB-CG 4.26Å; P150-E153 HydrophobicContact CG-CG 4.38Å; P150-E153 WeakPolarHBondContact O-CB 3.28Å; P150-E153 PolarHBondContact O-N 3.23Å; L151-E153 VanDerWaalsContact C-N 3.33Å; L151-E153 PolarHBondContact O-N 3.16Å; E153-M155 VanDerWaalsContact C-N 3.27Å; E153-M155 PolarHBondContact O-N 2.99Å; E153-Q156 PolarHBondContact O-N 3.04Å; E153-N157 WeakPolarHBondContact O-CB 3.24Å; E153-N157 PolarHBondContact O-N 3.45Å; E153-N157 PolarHBondContact O-ND2 3.18Å; E153-L242 HydrophobicContact CB-CD1 3.41Å; E153-L242 VanDerWaalsContact CB-CD1 3.41Å; E153-L242 HydrophobicContact CG-CD1 3.48Å; E153-L242 VanDerWaalsContact CG-CD1 3.48Å
154I98.3Very high97.5Very high0 Ų027.9 Ų27.90%015%0.145CC..Hα-helixtrans-61.1-41.3174.3-58.2-178.7000109.8F148 R149 P150 L151 N157 L158 L176 L193 F266F148-I154 HydrophobicContact CB-CD1 4.38Å; F148-I154 HydrophobicContact CD1-CD1 4.45Å; R149-I154 HydrophobicContact CB-CD1 4.3Å; R149-I154 HydrophobicContact CB-CG1 3.74Å; P150-I154 PolarHBondContact O-N 3Å; L151-I154 PolarHBondContact O-N 3.31Å; I154-N157 WeakPolarHBondContact O-CB 3.45Å; I154-N157 PolarHBondContact O-N 2.79Å; I154-L158 HydrophobicContact CG2-CD1 4.06Å; I154-L158 WeakPolarHBondContact O-CG 3.4Å; I154-L158 PolarHBondContact O-N 2.97Å; I154-L176 HydrophobicContact CG2-CD2 4.34Å; I154-L193 HydrophobicContact CD1-CD1 3.72Å; I154-L193 HydrophobicContact CD1-CD2 4.24Å; I154-L193 HydrophobicContact CG2-CD1 4.49Å; I154-F266 HydrophobicContact CD1-CD1 4.47Å; I154-F266 HydrophobicContact CG2-CD1 3.89Å; I154-F266 HydrophobicContact CG2-CE1 3.95Å
155M97.2Very high97.5Very high12 Ų1228.9 Ų28.96%0.05915%0.151CC..Hα-helixtrans-63.6-44.2175.7-72-53.3-47.600112.4L151 H152 E153 N157 L158 E159 V173 L176 R177 A180L151-M155 WeakPolarHBondContact O-CG 3.46Å; L151-M155 PolarHBondContact O-N 3.28Å; H152-M155 PolarHBondContact O-N 2.9Å; E153-M155 VanDerWaalsContact C-N 3.27Å; E153-M155 PolarHBondContact O-N 2.99Å; M155-N157 VanDerWaalsContact C-N 3.28Å; M155-N157 PolarHBondContact O-N 3.27Å; M155-L158 PolarHBondContact O-N 2.94Å; M155-L158 HydrophobicContact SD-CD1 4.08Å; M155-E159 WeakPolarHBondContact O-CB 3.11Å; M155-E159 WeakPolarHBondContact O-CG 3.22Å; M155-E159 PolarHBondContact O-N 3.1Å; M155-V173 HydrophobicContact CE-CG1 4.33Å; M155-L176 HydrophobicContact SD-CB 4.14Å; M155-L176 HydrophobicContact SD-CD2 3.82Å; M155-L176 HydrophobicContact SD-CG 3.82Å; M155-R177 HydrophobicContact CE-CB 3.62Å; M155-R177 HydrophobicContact CE-CG 3.97Å; M155-R177 HydrophobicContact SD-CB 4.37Å; M155-A180 HydrophobicContact CG-CB 4.1Å
156Q96.9Very high97.5Very high89 Ų8930.5 Ų30.542%0.41617%0.165SC..Hα-helixtrans-58.6-41.5174.9-178.2178.9-10.300111.7H152 E153 E159 A160 L242H152-Q156 PolarHBondContact O-N 2.72Å; E153-Q156 PolarHBondContact O-N 3.04Å; Q156-E159 PolarHBondContact O-N 3.16Å; Q156-A160 WeakPolarHBondContact O-CB 3.43Å; Q156-A160 PolarHBondContact O-N 2.75Å; Q156-L242 HydrophobicContact CG-CG 4.42Å
157N98Very high97.5Very high0 Ų030.5 Ų30.50%017%0.165CC..Hα-helixtrans-62.4-44.3175.4-78.8-20.4000112.5E153 I154 M155 A160 T161 L242 F265E153-N157 WeakPolarHBondContact O-CB 3.24Å; E153-N157 PolarHBondContact O-N 3.45Å; E153-N157 PolarHBondContact O-ND2 3.18Å; I154-N157 WeakPolarHBondContact O-CB 3.45Å; I154-N157 PolarHBondContact O-N 2.79Å; M155-N157 VanDerWaalsContact C-N 3.28Å; M155-N157 PolarHBondContact O-N 3.27Å; N157-A160 PolarHBondContact O-N 2.86Å; N157-T161 VanDerWaalsContact O-CB 3.23Å; N157-T161 WeakPolarHBondContact O-CB 3.46Å; N157-T161 PolarHBondContact O-N 2.73Å; N157-T161 PolarHBondContact O-OG1 3.25Å; N157-L242 WeakPolarHBondContact OD1-CB 3.31Å; N157-L242 PolarHBondContact OD1-N 2.89Å; N157-F265 HydrophobicContact CB-CB 4.27Å; N157-F265 HydrophobicContact CB-CD1 3.95Å; N157-F265 PolarHBondContact ND2-O 2.87Å
158L98.2Very high97.5Very high2 Ų230.4 Ų30.41%0.0116%0.164CC..Hα-helixtrans-64-40.6176.3-72.4164.4000111.7I154 M155 T161 L164 V165 V168 V173 L176 F266I154-L158 HydrophobicContact CG2-CD1 4.06Å; I154-L158 WeakPolarHBondContact O-CG 3.4Å; I154-L158 PolarHBondContact O-N 2.97Å; M155-L158 PolarHBondContact O-N 2.94Å; M155-L158 HydrophobicContact SD-CD1 4.08Å; L158-T161 PolarHBondContact O-N 2.93Å; L158-L164 HydrophobicContact CD2-CD2 3.7Å; L158-L164 HydrophobicContact CD2-CG 3.83Å; L158-L164 HydrophobicContact CG-CD2 4.36Å; L158-V165 HydrophobicContact CB-CG2 4.42Å; L158-V165 HydrophobicContact CD2-CG2 4.42Å; L158-V165 WeakPolarHBondContact O-CG2 3.46Å; L158-V168 HydrophobicContact CD2-CG2 4.21Å; L158-V173 HydrophobicContact CB-CG1 4.36Å; L158-V173 HydrophobicContact CD1-CG1 4.31Å; L158-V173 HydrophobicContact CD1-CG2 4.3Å; L158-V173 HydrophobicContact CD2-CG2 3.96Å; L158-L176 HydrophobicContact CD1-CD2 3.8Å; L158-F266 HydrophobicContact CD2-CZ 4.45Å
159E96.3Very high97.5Very high119 Ų11931.5 Ų31.556%0.55618%0.176SC*.Hα-helixtrans-67.8-36179.5-74171.6179.700112.7M155 Q156 T161 R177M155-E159 WeakPolarHBondContact O-CB 3.11Å; M155-E159 WeakPolarHBondContact O-CG 3.22Å; M155-E159 PolarHBondContact O-N 3.1Å; Q156-E159 PolarHBondContact O-N 3.16Å; E159-T161 VanDerWaalsContact C-N 3.3Å; E159-T161 PolarHBondContact O-N 3.35Å; E159-R177 IonicContact OE1-CZ 2.73Å; E159-R177 IonicContact OE1-NE 3.36Å; E159-R177 PolarHBondContact OE1-NE 2.96Å; E159-R177 IonicContact OE1-NH2 3.78Å; E159-R177 PolarHBondContact OE1-NH2 3.33Å
160A96.2Very high97.5Very high34 Ų3436 Ų3628%0.28120%0.201SC..THydrogen-bonded Turntrans-79.5-8.2177.700000114.3Q156 N157 R218Q156-A160 WeakPolarHBondContact O-CB 3.43Å; Q156-A160 PolarHBondContact O-N 2.75Å; N157-A160 PolarHBondContact O-N 2.86Å; A160-R218 PolarHBondContact O-NH1 2.8Å; A160-R218 PolarHBondContact O-NH2 3.26Å; A160-R218 VanDerWaalsContact O-NH2 3.15Å
161T97.2Very high97.6Very high0 Ų041 Ų410%023%0.227CC..  trans-133.981.3-166.7-39.90000112.6N157 L158 E159 E163 L164 V165 L215 V240 W262 F265N157-T161 VanDerWaalsContact O-CB 3.23Å; N157-T161 WeakPolarHBondContact O-CB 3.46Å; N157-T161 PolarHBondContact O-N 2.73Å; N157-T161 PolarHBondContact O-OG1 3.25Å; L158-T161 PolarHBondContact O-N 2.93Å; E159-T161 VanDerWaalsContact C-N 3.3Å; E159-T161 PolarHBondContact O-N 3.35Å; T161-E163 PolarHBondContact O-N 3Å; T161-L164 HydrophobicContact CG2-CB 3.65Å; T161-L164 WeakPolarHBondContact O-CB 3.26Å; T161-L164 PolarHBondContact O-N 3.19Å; T161-V165 PolarHBondContact O-N 3.23Å; T161-V165 VanDerWaalsContact O-N 3.12Å; T161-L215 HydrophobicContact CG2-CD1 3.98Å; T161-L215 HydrophobicContact CG2-CD2 4.42Å; T161-V240 HydrophobicContact CG2-CG1 4.18Å; T161-V240 WeakPolarHBondContact OG1-CG1 3.2Å; T161-W262 HydrophobicContact CG2-CZ3 4Å; T161-F265 HydrophobicContact CG2-CE1 4.06Å; T161-F265 HydrophobicContact CG2-CZ 4.17Å; T161-F265 WeakPolarHBondContact OG1-CE1 3.44Å
162P97.8Very high97.6Very high81 Ų8141 Ų4153%0.52623%0.228SC..Hα-helixtrans-56.5-34178.1-25.234.9000113.8L164 V165 A166P162-L164 VanDerWaalsContact C-N 3.31Å; P162-L164 PolarHBondContact O-N 3.09Å; P162-V165 PolarHBondContact O-N 2.95Å; P162-A166 PolarHBondContact O-N 3.33Å
163E98.2Very high97.8Very high16 Ų1634.9 Ų34.98%0.07520%0.2CC..Hα-helixtrans-64.4-37.3177.3-5686.9172.700111.3T161 A166 L167 E211 K214 L215 R218 W262T161-E163 PolarHBondContact O-N 3Å; E163-A166 WeakPolarHBondContact O-CB 2.77Å; E163-A166 PolarHBondContact O-N 2.93Å; E163-L167 PolarHBondContact O-N 3.39Å; E163-E211 HydrophobicContact CB-CB 4.16Å; E163-K214 HydrophobicContact CG-CB 3.9Å; E163-L215 HydrophobicContact CB-CB 4.27Å; E163-L215 HydrophobicContact CG-CB 4.08Å; E163-R218 IonicContact OE1-CZ 3.39Å; E163-R218 IonicContact OE1-NE 3.95Å; E163-R218 PolarHBondContact OE1-NE 3.4Å; E163-R218 IonicContact OE1-NH2 3.49Å; E163-R218 IonicContact OE2-CZ 3.38Å; E163-R218 IonicContact OE2-NE 3.81Å; E163-R218 PolarHBondContact OE2-NE 2.74Å; E163-R218 IonicContact OE2-NH2 2.78Å; E163-R218 PolarHBondContact OE2-NH2 2.94Å; E163-W262 HydrophobicContact CB-CH2 3.72Å; E163-W262 HydrophobicContact CB-CZ3 4.37Å
164L98.5Very high97.8Very high1 Ų135.9 Ų35.91%0.00521%0.209CC..Hα-helixtrans-68.9-42.2174.3-179.861.8000111L158 T161 P162 A166 L167 V168 L200 W262 F265 F266L158-L164 HydrophobicContact CD2-CD2 3.7Å; L158-L164 HydrophobicContact CD2-CG 3.83Å; L158-L164 HydrophobicContact CG-CD2 4.36Å; T161-L164 HydrophobicContact CG2-CB 3.65Å; T161-L164 WeakPolarHBondContact O-CB 3.26Å; T161-L164 PolarHBondContact O-N 3.19Å; P162-L164 VanDerWaalsContact C-N 3.31Å; P162-L164 PolarHBondContact O-N 3.09Å; L164-A166 PolarHBondContact O-N 3.2Å; L164-L167 PolarHBondContact O-N 3.5Å; L164-L167 VanDerWaalsContact O-N 3.12Å; L164-V168 HydrophobicContact CD1-CG2 3.98Å; L164-V168 HydrophobicContact CG-CG2 4.19Å; L164-V168 WeakPolarHBondContact O-CG2 3.37Å; L164-V168 PolarHBondContact O-N 3.14Å; L164-L200 HydrophobicContact CD1-CD1 4.15Å; L164-L200 HydrophobicContact CD1-CD2 4.19Å; L164-W262 HydrophobicContact CB-CE3 3.96Å; L164-W262 HydrophobicContact CB-CZ3 3.72Å; L164-W262 HydrophobicContact CD1-CB 4.47Å; L164-W262 HydrophobicContact CD1-CD2 4.23Å; L164-W262 HydrophobicContact CD1-CE3 3.62Å; L164-W262 HydrophobicContact CD1-CZ3 4.25Å; L164-W262 HydrophobicContact CG-CE3 4.29Å; L164-F265 HydrophobicContact CD2-CB 3.67Å; L164-F265 HydrophobicContact CD2-CD1 4.14Å; L164-F265 HydrophobicContact CD2-CG 3.89Å; L164-F266 HydrophobicContact CD1-CE2 3.8Å; L164-F266 HydrophobicContact CD1-CZ 4.49Å; L164-F266 HydrophobicContact CD2-CE2 3.98Å; L164-F266 HydrophobicContact CG-CE2 4.34Å
165V98.7Very high97.7Very high21 Ų2140.2 Ų40.213%0.12723%0.229CC..Hα-helixtrans-60.2-37.1175.2177.60000111.1L158 T161 P162 L167 V168 G169 N170 V173L158-V165 HydrophobicContact CB-CG2 4.42Å; L158-V165 HydrophobicContact CD2-CG2 4.42Å; L158-V165 WeakPolarHBondContact O-CG2 3.46Å; T161-V165 PolarHBondContact O-N 3.23Å; T161-V165 VanDerWaalsContact O-N 3.12Å; P162-V165 PolarHBondContact O-N 2.95Å; V165-L167 VanDerWaalsContact C-N 3.29Å; V165-L167 PolarHBondContact O-N 3.25Å; V165-V168 PolarHBondContact O-N 3.15Å; V165-G169 WeakPolarHBondContact O-CA 3.33Å; V165-G169 PolarHBondContact O-N 2.93Å; V165-N170 VanDerWaalsContact CG1-OD1 3.29Å; V165-N170 WeakPolarHBondContact CG1-OD1 3.42Å; V165-V173 HydrophobicContact CG1-CG2 4.16Å; V165-V173 HydrophobicContact CG2-CG2 4.34Å
166A98.5Very high97.7Very high35 Ų3539.6 Ų39.629%0.28923%0.226SC..Hα-helixtrans-64.1-31.3176.400000113.3P162 E163 L164 R207 E211P162-A166 PolarHBondContact O-N 3.33Å; E163-A166 WeakPolarHBondContact O-CB 2.77Å; E163-A166 PolarHBondContact O-N 2.93Å; L164-A166 PolarHBondContact O-N 3.2Å; A166-R207 PolarHBondContact O-NH2 3.17Å; A166-E211 HydrophobicContact CB-CG 4.36Å
167L98.6Very high97.7Very high1 Ų139.4 Ų39.41%0.00522%0.221CC..Hα-helixtrans-81.5-39.5175.3-65.3173.7000112.6E163 L164 V165 L200 Q203 R207 V208 E211 W262E163-L167 PolarHBondContact O-N 3.39Å; L164-L167 PolarHBondContact O-N 3.5Å; L164-L167 VanDerWaalsContact O-N 3.12Å; V165-L167 VanDerWaalsContact C-N 3.29Å; V165-L167 PolarHBondContact O-N 3.25Å; L167-L200 HydrophobicContact CB-CD1 3.87Å; L167-L200 HydrophobicContact CD1-CD1 3.83Å; L167-L200 HydrophobicContact CG-CD1 4.48Å; L167-Q203 HydrophobicContact CB-CG 4.18Å; L167-Q203 HydrophobicContact CD2-CB 4.33Å; L167-Q203 HydrophobicContact CD2-CG 3.95Å; L167-Q203 WeakPolarHBondContact O-CG 3.32Å; L167-Q203 PolarHBondContact O-NE2 2.76Å; L167-Q203 VanDerWaalsContact O-NE2 3.09Å; L167-R207 HydrophobicContact CD2-CB 4.29Å; L167-V208 HydrophobicContact CD2-CG2 4.32Å; L167-E211 HydrophobicContact CD1-CB 3.97Å; L167-E211 HydrophobicContact CD1-CG 4.46Å; L167-E211 HydrophobicContact CD2-CB 4.05Å; L167-E211 HydrophobicContact CD2-CG 3.73Å; L167-E211 HydrophobicContact CG-CB 3.94Å; L167-E211 HydrophobicContact CG-CG 3.87Å; L167-W262 HydrophobicContact CD1-CD2 3.98Å; L167-W262 VanDerWaalsContact CD1-CE2 3.41Å; L167-W262 HydrophobicContact CD1-CG 4.47Å; L167-W262 HydrophobicContact CD1-CH2 4.17Å; L167-W262 HydrophobicContact CD1-CZ2 3.52Å
168V98.4Very high97.5Very high1 Ų145.4 Ų45.41%0.00625%0.249CC..Hα-helixtrans-76.1-37.4-178173.10000112.1L158 L164 V165 C172 V173 C196 N199 L200 F266L158-V168 HydrophobicContact CD2-CG2 4.21Å; L164-V168 HydrophobicContact CD1-CG2 3.98Å; L164-V168 HydrophobicContact CG-CG2 4.19Å; L164-V168 WeakPolarHBondContact O-CG2 3.37Å; L164-V168 PolarHBondContact O-N 3.14Å; V165-V168 PolarHBondContact O-N 3.15Å; V168-C172 HydrophobicContact CG1-CB 4.2Å; V168-V173 HydrophobicContact CB-CG2 4.16Å; V168-V173 HydrophobicContact CG1-CG2 3.69Å; V168-C196 HydrophobicContact CG1-CB 3.65Å; V168-N199 WeakPolarHBondContact O-CB 2.94Å; V168-N199 PolarHBondContact O-ND2 3.13Å; V168-L200 HydrophobicContact CG2-CB 4.24Å; V168-F266 HydrophobicContact CG2-CE2 4.48Å; V168-F266 HydrophobicContact CG2-CZ 3.92Å
169G98.2Very high97.3Very high25 Ų2546.5 Ų46.526%0.25826%0.256SS..  trans98.8130.7-175.800000113.1V165 D171 C172 V173V165-G169 WeakPolarHBondContact O-CA 3.33Å; V165-G169 PolarHBondContact O-N 2.93Å; G169-D171 VanDerWaalsContact C-N 3.32Å; G169-D171 PolarHBondContact O-N 3.36Å; G169-C172 WeakPolarHBondContact O-CB 3.45Å; G169-C172 PolarHBondContact O-N 3.15Å; G169-C172 VanDerWaalsContact O-N 3.13Å; G169-V173 WeakPolarHBondContact O-CG2 3.35Å; G169-V173 PolarHBondContact O-N 2.94Å
170N97.9Very high97Very high110 Ų11042.2 Ų42.259%0.58824%0.241SC*.Hα-helixtrans-56.1-41.5-177.5-74.9-66.7000113.5V165 C172 V173 T174V165-N170 VanDerWaalsContact CG1-OD1 3.29Å; V165-N170 WeakPolarHBondContact CG1-OD1 3.42Å; N170-C172 VanDerWaalsContact C-N 3.32Å; N170-C172 PolarHBondContact O-N 3.07Å; N170-V173 PolarHBondContact O-N 3.36Å; N170-T174 WeakPolarHBondContact O-CB 3.3Å; N170-T174 PolarHBondContact O-N 2.67Å; N170-T174 PolarHBondContact O-OG1 3.29Å
171D97.8Very high96.4Very high124 Ų12447.3 Ų47.366%0.66326%0.264SS*.Hα-helixtrans-64.8-39.7-179.8-64-18.9000111.3G169 T174 Q175G169-D171 VanDerWaalsContact C-N 3.32Å; G169-D171 PolarHBondContact O-N 3.36Å; D171-T174 PolarHBondContact O-N 2.92Å; D171-Q175 WeakPolarHBondContact O-CG 3.26Å; D171-Q175 PolarHBondContact O-N 3.39Å
172C97.5Very high95.9Very high17 Ų1749.2 Ų49.212%0.11528%0.279CS..Hα-helixtrans-67.6-44.6178.7-61.60000110.8V168 G169 N170 T174 Q175 L176 I195 C196 N199V168-C172 HydrophobicContact CG1-CB 4.2Å; G169-C172 WeakPolarHBondContact O-CB 3.45Å; G169-C172 PolarHBondContact O-N 3.15Å; G169-C172 VanDerWaalsContact O-N 3.13Å; N170-C172 VanDerWaalsContact C-N 3.32Å; N170-C172 PolarHBondContact O-N 3.07Å; C172-T174 VanDerWaalsContact C-N 3.28Å; C172-T174 PolarHBondContact O-N 3.18Å; C172-Q175 PolarHBondContact O-N 2.95Å; C172-L176 WeakPolarHBondContact O-CB 3.46Å; C172-L176 PolarHBondContact O-N 3.01Å; C172-I195 HydrophobicContact CB-CG2 4.25Å; C172-C196 PolarHBondContact O-SG 3.47Å; C172-N199 PolarHBondContact SG-ND2 2.76Å
173V97.9Very high95.5Very high4 Ų453.5 Ų53.52%0.02430%0.298CS..Hα-helixtrans-62.1-37.8174.9176.40000111.3M155 L158 V165 V168 G169 N170 L176 R177M155-V173 HydrophobicContact CE-CG1 4.33Å; L158-V173 HydrophobicContact CB-CG1 4.36Å; L158-V173 HydrophobicContact CD1-CG1 4.31Å; L158-V173 HydrophobicContact CD1-CG2 4.3Å; L158-V173 HydrophobicContact CD2-CG2 3.96Å; V165-V173 HydrophobicContact CG1-CG2 4.16Å; V165-V173 HydrophobicContact CG2-CG2 4.34Å; V168-V173 HydrophobicContact CB-CG2 4.16Å; V168-V173 HydrophobicContact CG1-CG2 3.69Å; G169-V173 WeakPolarHBondContact O-CG2 3.35Å; G169-V173 PolarHBondContact O-N 2.94Å; N170-V173 PolarHBondContact O-N 3.36Å; V173-L176 PolarHBondContact O-N 3.27Å; V173-R177 WeakPolarHBondContact O-CB 3.45Å; V173-R177 PolarHBondContact O-N 3.06Å
174T97.1Very high95.2Very high61 Ų6154.2 Ų54.237%0.37430%0.303SS..Hα-helixtrans-64.6-45.6176.4-60.90000111.4N170 D171 C172 R177 Q178N170-T174 WeakPolarHBondContact O-CB 3.3Å; N170-T174 PolarHBondContact O-N 2.67Å; N170-T174 PolarHBondContact O-OG1 3.29Å; D171-T174 PolarHBondContact O-N 2.92Å; C172-T174 VanDerWaalsContact C-N 3.28Å; C172-T174 PolarHBondContact O-N 3.18Å; T174-R177 PolarHBondContact O-N 3.26Å; T174-Q178 WeakPolarHBondContact O-CG 3.27Å; T174-Q178 PolarHBondContact O-N 3.04Å
175Q96.1Very high95Very high91 Ų9157.9 Ų57.943%0.42533%0.327SS..Hα-helixtrans-62-42.9175.1-71.1173.424.100111.8D171 C172 R177 Q178 V179D171-Q175 WeakPolarHBondContact O-CG 3.26Å; D171-Q175 PolarHBondContact O-N 3.39Å; C172-Q175 PolarHBondContact O-N 2.95Å; Q175-R177 VanDerWaalsContact C-N 3.35Å; Q175-R177 PolarHBondContact O-N 2.98Å; Q175-Q178 WeakPolarHBondContact O-CB 3.27Å; Q175-Q178 PolarHBondContact O-N 3.05Å; Q175-V179 PolarHBondContact O-N 2.88Å; Q175-V179 VanDerWaalsContact O-N 3.13Å
176L97.1Very high94.7Very high0 Ų061.8 Ų61.80%034%0.344CS..Hα-helixtrans-60.8-44.6176.7-167.365.3000111.4L151 I154 M155 L158 C172 V173 Q178 V179 A180 A192 L193 C196L151-L176 HydrophobicContact CD1-CD1 3.7Å; L151-L176 HydrophobicContact CD1-CD2 4.12Å; L151-L176 HydrophobicContact CD1-CG 3.97Å; I154-L176 HydrophobicContact CG2-CD2 4.34Å; M155-L176 HydrophobicContact SD-CB 4.14Å; M155-L176 HydrophobicContact SD-CD2 3.82Å; M155-L176 HydrophobicContact SD-CG 3.82Å; L158-L176 HydrophobicContact CD1-CD2 3.8Å; C172-L176 WeakPolarHBondContact O-CB 3.46Å; C172-L176 PolarHBondContact O-N 3.01Å; V173-L176 PolarHBondContact O-N 3.27Å; L176-Q178 VanDerWaalsContact C-N 3.32Å; L176-Q178 PolarHBondContact O-N 3.31Å; L176-V179 HydrophobicContact CD1-CG2 4.33Å; L176-V179 VanDerWaalsContact O-CG2 3.25Å; L176-V179 WeakPolarHBondContact O-CG2 3.36Å; L176-V179 PolarHBondContact O-N 3.06Å; L176-A180 VanDerWaalsContact O-CB 3.3Å; L176-A180 WeakPolarHBondContact O-CB 3.25Å; L176-A180 PolarHBondContact O-N 3.31Å; L176-A192 HydrophobicContact CD1-CB 3.69Å; L176-L193 HydrophobicContact CD1-CB 4.19Å; L176-C196 HydrophobicContact CD2-CB 4.46Å
177R96.3Very high94.5Very high85 Ų8564 Ų6432%0.32136%0.358SS..Hα-helixtrans-59.7-41.6176.2-170.9178.5-70.3113.3-1.7112.1M155 E159 V173 T174 Q175 A180 N181M155-R177 HydrophobicContact CE-CB 3.62Å; M155-R177 HydrophobicContact CE-CG 3.97Å; M155-R177 HydrophobicContact SD-CB 4.37Å; E159-R177 IonicContact OE1-CZ 2.73Å; E159-R177 IonicContact OE1-NE 3.36Å; E159-R177 PolarHBondContact OE1-NE 2.96Å; E159-R177 IonicContact OE1-NH2 3.78Å; E159-R177 PolarHBondContact OE1-NH2 3.33Å; V173-R177 WeakPolarHBondContact O-CB 3.45Å; V173-R177 PolarHBondContact O-N 3.06Å; T174-R177 PolarHBondContact O-N 3.26Å; Q175-R177 VanDerWaalsContact C-N 3.35Å; Q175-R177 PolarHBondContact O-N 2.98Å; R177-A180 PolarHBondContact O-N 3.27Å; R177-N181 PolarHBondContact O-N 2.91Å; R177-N181 PolarHBondContact O-ND2 3.3Å
178Q94.7Very high94.4Very high126 Ų12670 Ų7059%0.58938%0.383SS*.Hα-helixtrans-62-46.3178.4-73.1171.8-1.600111.5T174 Q175 L176 A182T174-Q178 WeakPolarHBondContact O-CG 3.27Å; T174-Q178 PolarHBondContact O-N 3.04Å; Q175-Q178 WeakPolarHBondContact O-CB 3.27Å; Q175-Q178 PolarHBondContact O-N 3.05Å; L176-Q178 VanDerWaalsContact C-N 3.32Å; L176-Q178 PolarHBondContact O-N 3.31Å; Q178-A182 WeakPolarHBondContact O-CB 3.47Å; Q178-A182 PolarHBondContact O-N 2.97Å
179V94.5Very high94.3Very high24 Ų2473.8 Ų73.815%0.14540%0.397CS..Hα-helixtrans-77.1-24.2-179.2-59.80000113.5Q175 L176 V184 R189 A192Q175-V179 PolarHBondContact O-N 2.88Å; Q175-V179 VanDerWaalsContact O-N 3.13Å; L176-V179 HydrophobicContact CD1-CG2 4.33Å; L176-V179 VanDerWaalsContact O-CG2 3.25Å; L176-V179 WeakPolarHBondContact O-CG2 3.36Å; L176-V179 PolarHBondContact O-N 3.06Å; V179-V184 HydrophobicContact CB-CG2 3.95Å; V179-V184 HydrophobicContact CG1-CG2 4.37Å; V179-R189 HydrophobicContact CB-CG 4.17Å; V179-R189 HydrophobicContact CG2-CG 4.22Å; V179-A192 HydrophobicContact CG2-CB 3.62Å
180A90Very high94.2Very high30 Ų3075.5 Ų75.525%0.24840%0.398CS..Hα-helixtrans-66.7-38.2177.300000112.5L151 M155 L176 R177L151-A180 HydrophobicContact CD2-CB 3.61Å; L151-A180 HydrophobicContact CG-CB 3.86Å; M155-A180 HydrophobicContact CG-CB 4.1Å; L176-A180 VanDerWaalsContact O-CB 3.3Å; L176-A180 WeakPolarHBondContact O-CB 3.25Å; L176-A180 PolarHBondContact O-N 3.31Å; R177-A180 PolarHBondContact O-N 3.27Å
181N82.8Confident94.2Very high141 Ų14174.8 Ų74.875%0.75439%0.391SS*.SBendtrans-95.1-3.7-177.6-64.8-34000113.6R177R177-N181 PolarHBondContact O-N 2.91Å; R177-N181 PolarHBondContact O-ND2 3.3Å
182A86.1Confident94.2Very high39 Ų3969.3 Ų69.332%0.32236%0.363SS..SBendtrans-101.2149.4-17600000112.5Q178 V184Q178-A182 WeakPolarHBondContact O-CB 3.47Å; Q178-A182 PolarHBondContact O-N 2.97Å; A182-V184 HydrophobicContact CB-CG1 3.79Å; A182-V184 HydrophobicContact CB-CG2 4.48Å; A182-V184 PolarHBondContact O-N 3.3Å
183N90.5Very high94.3Very high172 Ų17268.5 Ų68.592%0.9236%0.358SS*.  trans-76.670.7168.5-169.821.9000110.6
184V91.7Very high94.3Very high30 Ų3071.2 Ų71.218%0.18237%0.369CS..  trans-109.4158.1178.5-65.80000111.6V179 A182 K188 R189V179-V184 HydrophobicContact CB-CG2 3.95Å; V179-V184 HydrophobicContact CG1-CG2 4.37Å; A182-V184 HydrophobicContact CB-CG1 3.79Å; A182-V184 HydrophobicContact CB-CG2 4.48Å; A182-V184 PolarHBondContact O-N 3.3Å; V184-K188 HydrophobicContact CB-CB 4.45Å; V184-K188 HydrophobicContact CB-CD 4.42Å; V184-K188 HydrophobicContact CG2-CB 4.38Å; V184-R189 HydrophobicContact CG2-CG 3.96Å; V184-R189 PolarHBondContact O-NH1 2.97Å; V184-R189 PolarHBondContact O-NH2 2.83Å
185P93.6Very high94.3Very high79 Ų7970.9 Ų70.951%0.51336%0.364SS..  trans-55.9146.3172.7-25.635.1000112.5S187 K188P185-S187 PolarHBondContact O-N 3.05Å; P185-K188 PolarHBondContact O-N 2.91Å
186E93.3Very high94.4Very high103 Ų10366.5 Ų66.548%0.48134%0.344SS..Hα-helixtrans-56.2-35.2178.7-170.8-171.9160.800112.4K188 R189 K190E186-K188 VanDerWaalsContact C-N 3.28Å; E186-K188 PolarHBondContact O-N 3.13Å; E186-R189 PolarHBondContact O-N 3.32Å; E186-R189 VanDerWaalsContact O-N 3.09Å; E186-K190 HydrophobicContact CG-CD 4.39Å; E186-K190 HydrophobicContact CG-CG 4.47Å; E186-K190 PolarHBondContact O-N 3.25Å; E186-K190 WeakPolarHBondContact OE1-CE 3.34Å; E186-K190 IonicContact OE1-NZ 3.35Å; E186-K190 PolarHBondContact OE1-NZ 2.96Å
187S95.3Very high94.5Very high82 Ų8266.6 Ų66.657%0.57334%0.344SS*.Hα-helixtrans-57.3-37.8176.455.10000113.1P185 K190 E191P185-S187 PolarHBondContact O-N 3.05Å; S187-K190 PolarHBondContact O-N 3.21Å; S187-E191 WeakPolarHBondContact O-CB 3.05Å; S187-E191 PolarHBondContact O-N 2.8Å
188K96.1Very high94.6Very high126 Ų12663.5 Ų63.555%0.54834%0.336SS..Hα-helixtrans-69.5-37.1176.2-69.9-166175.9-175.10112.2V184 P185 E186 A192V184-K188 HydrophobicContact CB-CB 4.45Å; V184-K188 HydrophobicContact CB-CD 4.42Å; V184-K188 HydrophobicContact CG2-CB 4.38Å; P185-K188 PolarHBondContact O-N 2.91Å; E186-K188 VanDerWaalsContact C-N 3.28Å; E186-K188 PolarHBondContact O-N 3.13Å; K188-A192 PolarHBondContact O-N 2.8Å; K188-A192 VanDerWaalsContact O-N 3.11Å
189R95.9Very high94.7Very high80 Ų8060 Ų6030%0.30232%0.321SS..Hα-helixtrans-65.3-44.1174.6-70.9-170.9-73.9-99-2.7111.3L151 V179 V184 E186 A192 L193L151-R189 HydrophobicContact CD2-CB 4.25Å; L151-R189 HydrophobicContact CD2-CG 4.11Å; V179-R189 HydrophobicContact CB-CG 4.17Å; V179-R189 HydrophobicContact CG2-CG 4.22Å; V184-R189 HydrophobicContact CG2-CG 3.96Å; V184-R189 PolarHBondContact O-NH1 2.97Å; V184-R189 PolarHBondContact O-NH2 2.83Å; E186-R189 PolarHBondContact O-N 3.32Å; E186-R189 VanDerWaalsContact O-N 3.09Å; R189-A192 PolarHBondContact O-N 3.39Å; R189-L193 WeakPolarHBondContact O-CB 3.31Å; R189-L193 PolarHBondContact O-N 2.97Å
190K97Very high94.9Very high62 Ų6259 Ų5927%0.2732%0.315SS..Hα-helixtrans-60.1-44.8175.6-75.2-178.3171.4166.60112.1E186 S187 L193 K194 T323E186-K190 HydrophobicContact CG-CD 4.39Å; E186-K190 HydrophobicContact CG-CG 4.47Å; E186-K190 PolarHBondContact O-N 3.25Å; E186-K190 WeakPolarHBondContact OE1-CE 3.34Å; E186-K190 IonicContact OE1-NZ 3.35Å; E186-K190 PolarHBondContact OE1-NZ 2.96Å; S187-K190 PolarHBondContact O-N 3.21Å; K190-L193 PolarHBondContact O-N 3.07Å; K190-K194 VanDerWaalsContact O-CB 3.28Å; K190-K194 WeakPolarHBondContact O-CB 3.15Å; K190-K194 PolarHBondContact O-N 3.4Å; K190-T323 WeakPolarHBondContact CD-O 3.24Å; K190-T323 VanDerWaalsContact CE-O 3.24Å; K190-T323 WeakPolarHBondContact CE-O 3.31Å
191E97.5Very high95.3Very high94 Ų9458.2 Ų58.244%0.43931%0.307SS..Hα-helixtrans-64.6-43.5179.1-170.758.9-153.400112.1S187 L193 K194 I195S187-E191 WeakPolarHBondContact O-CB 3.05Å; S187-E191 PolarHBondContact O-N 2.8Å; E191-L193 PolarHBondContact O-N 2.83Å; E191-K194 WeakPolarHBondContact O-CB 3.45Å; E191-K194 PolarHBondContact O-N 3.4Å; E191-I195 HydrophobicContact CG-CD1 4.34Å; E191-I195 WeakPolarHBondContact O-CG1 3.19Å; E191-I195 PolarHBondContact O-N 3.32Å
192A97.8Very high96Very high9 Ų955.9 Ų55.97%0.07430%0.298CS..Hα-helixtrans-62.7-43175.900000112.1L176 V179 K188 R189 K194 I195 C196L176-A192 HydrophobicContact CD1-CB 3.69Å; V179-A192 HydrophobicContact CG2-CB 3.62Å; K188-A192 PolarHBondContact O-N 2.8Å; K188-A192 VanDerWaalsContact O-N 3.11Å; R189-A192 PolarHBondContact O-N 3.39Å; A192-K194 VanDerWaalsContact C-N 3.33Å; A192-K194 PolarHBondContact O-N 3.39Å; A192-I195 PolarHBondContact O-N 3.48Å; A192-C196 PolarHBondContact O-N 3.35Å; A192-C196 VanDerWaalsContact O-N 3.08Å
193L98.2Very high96.5Very high1 Ų156 Ų561%0.00529%0.292CS..Hα-helixtrans-62.9-41.6176.2178.258.7000111.4F148 I154 L176 R189 K190 E191 I195 C196 F197 F266 Y324 T326F148-L193 HydrophobicContact CB-CD2 4.03Å; F148-L193 HydrophobicContact CD1-CD1 4.29Å; F148-L193 HydrophobicContact CD1-CD2 3.91Å; F148-L193 HydrophobicContact CD1-CG 4.33Å; F148-L193 HydrophobicContact CD2-CD2 4.37Å; F148-L193 HydrophobicContact CE1-CD2 4.47Å; F148-L193 HydrophobicContact CG-CD2 3.84Å; I154-L193 HydrophobicContact CD1-CD1 3.72Å; I154-L193 HydrophobicContact CD1-CD2 4.24Å; I154-L193 HydrophobicContact CG2-CD1 4.49Å; L176-L193 HydrophobicContact CD1-CB 4.19Å; R189-L193 WeakPolarHBondContact O-CB 3.31Å; R189-L193 PolarHBondContact O-N 2.97Å; K190-L193 PolarHBondContact O-N 3.07Å; E191-L193 PolarHBondContact O-N 2.83Å; L193-I195 PolarHBondContact O-N 3.03Å; L193-C196 PolarHBondContact O-N 3.07Å; L193-F197 WeakPolarHBondContact O-CB 3.49Å; L193-F197 PolarHBondContact O-N 3.38Å; L193-F266 HydrophobicContact CD1-CD1 3.99Å; L193-F266 HydrophobicContact CD1-CE1 4.27Å; L193-Y324 HydrophobicContact CD2-CD1 4.23Å; L193-Y324 HydrophobicContact CG-CD1 4.01Å; L193-T326 HydrophobicContact CD2-CG2 3.7Å
194K98.3Very high96.9Very high60 Ų6050.4 Ų50.426%0.26127%0.266SS..Hα-helixtrans-57-46.9174.1171.4174.8-179.2-168.80112.1K190 E191 A192 F197 S198 Y324K190-K194 VanDerWaalsContact O-CB 3.28Å; K190-K194 WeakPolarHBondContact O-CB 3.15Å; K190-K194 PolarHBondContact O-N 3.4Å; E191-K194 WeakPolarHBondContact O-CB 3.45Å; E191-K194 PolarHBondContact O-N 3.4Å; A192-K194 VanDerWaalsContact C-N 3.33Å; A192-K194 PolarHBondContact O-N 3.39Å; K194-F197 PolarHBondContact O-N 2.93Å; K194-S198 WeakPolarHBondContact O-CB 3.36Å; K194-S198 PolarHBondContact O-N 3.43Å; K194-S198 PolarHBondContact O-OG 3.48Å; K194-Y324 HydrophobicContact CB-CD1 4.12Å; K194-Y324 HydrophobicContact CB-CD2 3.9Å; K194-Y324 HydrophobicContact CB-CE1 3.78Å; K194-Y324 HydrophobicContact CB-CE2 3.54Å; K194-Y324 HydrophobicContact CB-CG 4.17Å; K194-Y324 VanDerWaalsContact CB-CZ 3.46Å; K194-Y324 HydrophobicContact CD-CD2 4.37Å; K194-Y324 HydrophobicContact CD-CE2 3.71Å; K194-Y324 HydrophobicContact CG-CD2 4.39Å; K194-Y324 HydrophobicContact CG-CE1 4.32Å; K194-Y324 HydrophobicContact CG-CE2 3.6Å; K194-Y324 WeakPolarHBondContact CG-OH 3.28Å
195I98.3Very high97.1Very high54 Ų5455.8 Ų55.828%0.27729%0.289SS..Hα-helixtrans-60.2-49.4177.6-68.3163.7000110.2C172 E191 A192 L193 F197 S198 N199C172-I195 HydrophobicContact CB-CG2 4.25Å; E191-I195 HydrophobicContact CG-CD1 4.34Å; E191-I195 WeakPolarHBondContact O-CG1 3.19Å; E191-I195 PolarHBondContact O-N 3.32Å; A192-I195 PolarHBondContact O-N 3.48Å; L193-I195 PolarHBondContact O-N 3.03Å; I195-F197 PolarHBondContact O-N 2.87Å; I195-S198 PolarHBondContact O-N 3.38Å; I195-N199 WeakPolarHBondContact O-CB 3.46Å; I195-N199 PolarHBondContact O-N 2.88Å
196C98.5Very high97.4Very high0 Ų058.8 Ų58.80%030%0.296CS..Hα-helixtrans-59.4-48.9179.4-73.70000112.8V168 C172 L176 A192 L193 N199 L200 F266V168-C196 HydrophobicContact CG1-CB 3.65Å; C172-C196 PolarHBondContact O-SG 3.47Å; L176-C196 HydrophobicContact CD2-CB 4.46Å; A192-C196 PolarHBondContact O-N 3.35Å; A192-C196 VanDerWaalsContact O-N 3.08Å; L193-C196 PolarHBondContact O-N 3.07Å; C196-N199 PolarHBondContact O-N 3.47Å; C196-L200 PolarHBondContact O-N 2.82Å; C196-F266 HydrophobicContact CB-CE1 4.3Å
197F98.3Very high97.6Very high1 Ų159.7 Ų59.70%0.00430%0.295CS..Hα-helixtrans-68.7-39.7-178-168.4-114.6000111.9F148 L193 K194 I195 L200 L201 F266 L318 L322 Y324F148-F197 HydrophobicContact CE1-CB 4.32Å; F148-F197 HydrophobicContact CE1-CD1 4.05Å; F148-F197 AromaticContact CE1-CD2 3.88Å; F148-F197 HydrophobicContact CE1-CD2 3.88Å; F148-F197 HydrophobicContact CE1-CE1 4.29Å; F148-F197 HydrophobicContact CE1-CE2 4.15Å; F148-F197 AromaticContact CE1-CG 3.82Å; F148-F197 HydrophobicContact CE1-CG 3.82Å; F148-F197 HydrophobicContact CE1-CZ 4.34Å; F148-F197 AromaticContact CZ-CD1 3.78Å; F148-F197 HydrophobicContact CZ-CD1 3.78Å; F148-F197 HydrophobicContact CZ-CD2 4.44Å; F148-F197 AromaticContact CZ-CE1 3.96Å; F148-F197 HydrophobicContact CZ-CE1 3.96Å; F148-F197 HydrophobicContact CZ-CG 4.02Å; F148-F197 HydrophobicContact CZ-CZ 4.38Å; L193-F197 WeakPolarHBondContact O-CB 3.49Å; L193-F197 PolarHBondContact O-N 3.38Å; K194-F197 PolarHBondContact O-N 2.93Å; I195-F197 PolarHBondContact O-N 2.87Å; F197-L200 PolarHBondContact O-N 3.28Å; F197-L201 HydrophobicContact CD1-CD1 3.81Å; F197-L201 HydrophobicContact CD1-CG 4.45Å; F197-L201 HydrophobicContact CE1-CD1 3.34Å; F197-L201 HydrophobicContact CE1-CG 4.2Å; F197-L201 HydrophobicContact CE2-CD1 4.43Å; F197-L201 HydrophobicContact CZ-CD1 3.7Å; F197-L201 HydrophobicContact CZ-CD2 4.45Å; F197-L201 HydrophobicContact CZ-CG 4.24Å; F197-L201 WeakPolarHBondContact O-CG 3.01Å; F197-L201 PolarHBondContact O-N 2.78Å; F197-L201 VanDerWaalsContact O-N 3.09Å; F197-F266 HydrophobicContact CD2-CB 3.99Å; F197-F266 AromaticContact CD2-CD1 3.9Å; F197-F266 HydrophobicContact CD2-CD1 3.9Å; F197-F266 HydrophobicContact CD2-CD2 4.14Å; F197-F266 HydrophobicContact CD2-CE1 4.43Å; F197-F266 AromaticContact CD2-CG 3.74Å; F197-F266 HydrophobicContact CD2-CG 3.74Å; F197-F266 HydrophobicContact CE2-CB 4.02Å; F197-F266 HydrophobicContact CE2-CD2 4.45Å; F197-F266 HydrophobicContact CE2-CG 4.16Å; F197-L318 HydrophobicContact CE1-CD2 4.09Å; F197-L322 HydrophobicContact CD1-CD1 4.09Å; F197-L322 HydrophobicContact CE1-CD1 3.78Å; F197-Y324 HydrophobicContact CB-CE1 4.3Å; F197-Y324 HydrophobicContact CD1-CE1 4.3Å
198S98.1Very high97.8Very high21 Ų2156 Ų5615%0.14727%0.269CS..Hα-helixtrans-62.2-46.8175.4-56.90000111.1K194 I195 L200 L201 T202 C319K194-S198 WeakPolarHBondContact O-CB 3.36Å; K194-S198 PolarHBondContact O-N 3.43Å; K194-S198 PolarHBondContact O-OG 3.48Å; I195-S198 PolarHBondContact O-N 3.38Å; S198-L200 VanDerWaalsContact C-N 3.29Å; S198-L200 PolarHBondContact O-N 3.38Å; S198-L201 PolarHBondContact O-N 2.67Å; S198-L201 VanDerWaalsContact O-N 3.15Å; S198-T202 WeakPolarHBondContact O-CG2 3.42Å; S198-T202 PolarHBondContact O-N 3.15Å; S198-T202 PolarHBondContact O-OG1 2.78Å; S198-C319 WeakPolarHBondContact OG-CB 3.26Å
199N98.2Very high97.9Very high53 Ų5350.9 Ų50.928%0.28325%0.25SS..Hα-helixtrans-57.1-43.1178.8-84.37.3000112.4V168 C172 I195 C196 T202 Q203V168-N199 WeakPolarHBondContact O-CB 2.94Å; V168-N199 PolarHBondContact O-ND2 3.13Å; C172-N199 PolarHBondContact SG-ND2 2.76Å; I195-N199 WeakPolarHBondContact O-CB 3.46Å; I195-N199 PolarHBondContact O-N 2.88Å; C196-N199 PolarHBondContact O-N 3.47Å; N199-T202 PolarHBondContact O-OG1 2.62Å; N199-Q203 WeakPolarHBondContact O-CG 3.36Å; N199-Q203 PolarHBondContact O-N 2.77Å; N199-Q203 PolarHBondContact O-NE2 3.2Å
200L98.4Very high98Very high1 Ų149.1 Ų49.11%0.00525%0.253CS..Hα-helixtrans-58.9-53.5174.3169.765.2000111.3L164 L167 V168 C196 F197 S198 T202 Q203 V259 W262 F266L164-L200 HydrophobicContact CD1-CD1 4.15Å; L164-L200 HydrophobicContact CD1-CD2 4.19Å; L167-L200 HydrophobicContact CB-CD1 3.87Å; L167-L200 HydrophobicContact CD1-CD1 3.83Å; L167-L200 HydrophobicContact CG-CD1 4.48Å; V168-L200 HydrophobicContact CG2-CB 4.24Å; C196-L200 PolarHBondContact O-N 2.82Å; F197-L200 PolarHBondContact O-N 3.28Å; S198-L200 VanDerWaalsContact C-N 3.29Å; S198-L200 PolarHBondContact O-N 3.38Å; L200-T202 PolarHBondContact O-N 2.62Å; L200-Q203 WeakPolarHBondContact O-CB 3.23Å; L200-Q203 PolarHBondContact O-N 3.31Å; L200-V259 HydrophobicContact CD1-CG2 4.14Å; L200-V259 HydrophobicContact CG-CG2 4.18Å; L200-W262 HydrophobicContact CD1-CB 4.12Å; L200-W262 HydrophobicContact CD1-CG 4.11Å; L200-W262 HydrophobicContact CD2-CB 3.84Å; L200-F266 HydrophobicContact CD2-CD2 3.99Å; L200-F266 HydrophobicContact CD2-CE2 3.62Å; L200-F266 HydrophobicContact CD2-CZ 4.42Å
201L97.7Very high98.1Very high15 Ų1547.3 Ų47.38%0.07925%0.245CC..Hα-helixtrans-69.6-21.1-174.4-65.6-177000113.7F197 S198 V259 A306 V315 L318F197-L201 HydrophobicContact CD1-CD1 3.81Å; F197-L201 HydrophobicContact CD1-CG 4.45Å; F197-L201 HydrophobicContact CE1-CD1 3.34Å; F197-L201 HydrophobicContact CE1-CG 4.2Å; F197-L201 HydrophobicContact CE2-CD1 4.43Å; F197-L201 HydrophobicContact CZ-CD1 3.7Å; F197-L201 HydrophobicContact CZ-CD2 4.45Å; F197-L201 HydrophobicContact CZ-CG 4.24Å; F197-L201 WeakPolarHBondContact O-CG 3.01Å; F197-L201 PolarHBondContact O-N 2.78Å; F197-L201 VanDerWaalsContact O-N 3.09Å; S198-L201 PolarHBondContact O-N 2.67Å; S198-L201 VanDerWaalsContact O-N 3.15Å; L201-V259 HydrophobicContact CD2-CG1 4.17Å; L201-V259 HydrophobicContact CD2-CG2 4.06Å; L201-A306 HydrophobicContact CD1-CB 3.72Å; L201-A306 HydrophobicContact CD2-CB 4.18Å; L201-V315 HydrophobicContact CB-CG1 3.56Å; L201-V315 HydrophobicContact CD1-CG1 4.44Å; L201-L318 HydrophobicContact CD1-CD2 3.73Å
202T97.1Very high98.1Very high92 Ų9242.8 Ų42.856%0.56422%0.224SC*.THydrogen-bonded Turntrans-92.60.8176.459.70000114.2S198 N199 L200 V315S198-T202 WeakPolarHBondContact O-CG2 3.42Å; S198-T202 PolarHBondContact O-N 3.15Å; S198-T202 PolarHBondContact O-OG1 2.78Å; N199-T202 PolarHBondContact O-OG1 2.62Å; L200-T202 PolarHBondContact O-N 2.62Å; T202-V315 HydrophobicContact CG2-CG1 4.06Å
203Q98Very high98Very high42 Ų4244.6 Ų44.620%0.19623%0.233CC..SBendtrans-63.1152.4174.6-72.4-53.1-47.400111.6L167 N199 L200 V208L167-Q203 HydrophobicContact CB-CG 4.18Å; L167-Q203 HydrophobicContact CD2-CB 4.33Å; L167-Q203 HydrophobicContact CD2-CG 3.95Å; L167-Q203 WeakPolarHBondContact O-CG 3.32Å; L167-Q203 PolarHBondContact O-NE2 2.76Å; L167-Q203 VanDerWaalsContact O-NE2 3.09Å; N199-Q203 WeakPolarHBondContact O-CG 3.36Å; N199-Q203 PolarHBondContact O-N 2.77Å; N199-Q203 PolarHBondContact O-NE2 3.2Å; L200-Q203 WeakPolarHBondContact O-CB 3.23Å; L200-Q203 PolarHBondContact O-N 3.31Å; Q203-V208 HydrophobicContact CB-CG2 3.7Å
204S97.6Very high97.9Very high54 Ų5449.6 Ų49.638%0.37825%0.254SS..  trans-68.2146.4173.172.30000111.2Q206 R207 V208S204-Q206 PolarHBondContact O-N 3.48Å; S204-Q206 VanDerWaalsContact O-N 3.16Å; S204-Q206 PolarHBondContact OG-OE1 3.08Å; S204-R207 PolarHBondContact O-N 3.33Å; S204-R207 WeakPolarHBondContact OG-CG 3.39Å; S204-R207 PolarHBondContact OG-N 2.63Å; S204-V208 WeakPolarHBondContact O-CG2 3.14Å; S204-V208 PolarHBondContact O-N 2.99Å
205E97.2Very high97.8Very high143 Ų14346.8 Ų46.867%0.66824%0.242SC*.Hα-helixtrans-55.2-35.9179-63.9-176165.100112V208 A209E205-V208 PolarHBondContact O-N 2.96Å; E205-A209 VanDerWaalsContact O-CB 3.24Å; E205-A209 WeakPolarHBondContact O-CB 3.4Å; E205-A209 PolarHBondContact O-N 3.17Å
206Q98.3Very high97.5Very high142 Ų14245.4 Ų45.466%0.66424%0.235SC*.Hα-helixtrans-65.2-40.9177.9-59.781.77.600112.4S204 A210S204-Q206 PolarHBondContact O-N 3.48Å; S204-Q206 VanDerWaalsContact O-N 3.16Å; S204-Q206 PolarHBondContact OG-OE1 3.08Å; Q206-A210 WeakPolarHBondContact O-CB 3.45Å; Q206-A210 PolarHBondContact O-N 3.19Å
207R98.2Very high97.1Very high122 Ų12251.9 Ų51.946%0.4626%0.263SS..Hα-helixtrans-69.4-45.2177.6-74.9-173.370-175.70.2110.9A166 L167 S204 A209 A210 E211A166-R207 PolarHBondContact O-NH2 3.17Å; L167-R207 HydrophobicContact CD2-CB 4.29Å; S204-R207 PolarHBondContact O-N 3.33Å; S204-R207 WeakPolarHBondContact OG-CG 3.39Å; S204-R207 PolarHBondContact OG-N 2.63Å; R207-A209 VanDerWaalsContact C-N 3.28Å; R207-A209 PolarHBondContact O-N 2.93Å; R207-A210 PolarHBondContact O-N 3.36Å; R207-E211 WeakPolarHBondContact O-CG 3.29Å; R207-E211 PolarHBondContact O-N 3.47Å
208V98.5Very high96.7Very high3 Ų356.5 Ų56.52%0.01828%0.281CS..Hα-helixtrans-56.5-46.3176174.70000110.4L167 Q203 S204 E205 E211 M212 R257 V259L167-V208 HydrophobicContact CD2-CG2 4.32Å; Q203-V208 HydrophobicContact CB-CG2 3.7Å; S204-V208 WeakPolarHBondContact O-CG2 3.14Å; S204-V208 PolarHBondContact O-N 2.99Å; E205-V208 PolarHBondContact O-N 2.96Å; V208-E211 PolarHBondContact O-N 2.79Å; V208-M212 VanDerWaalsContact O-CB 3.3Å; V208-M212 WeakPolarHBondContact O-CB 3.5Å; V208-M212 PolarHBondContact O-N 3.04Å; V208-R257 WeakPolarHBondContact CG1-O 3.2Å; V208-V259 HydrophobicContact CG1-CB 4Å; V208-V259 HydrophobicContact CG1-CG2 4.33Å; V208-V259 HydrophobicContact CG2-CB 4.22Å; V208-V259 HydrophobicContact CG2-CG2 4.02Å
209A98.2Very high96Very high19 Ų1956.4 Ų56.416%0.15728%0.279CS..Hα-helixtrans-60.8-46.7177.100000112.9E205 R207 E211 M212 D213 R257E205-A209 VanDerWaalsContact O-CB 3.24Å; E205-A209 WeakPolarHBondContact O-CB 3.4Å; E205-A209 PolarHBondContact O-N 3.17Å; R207-A209 VanDerWaalsContact C-N 3.28Å; R207-A209 PolarHBondContact O-N 2.93Å; A209-E211 PolarHBondContact O-N 2.78Å; A209-M212 PolarHBondContact O-N 2.87Å; A209-D213 WeakPolarHBondContact O-CB 3.43Å; A209-D213 PolarHBondContact O-N 2.83Å; A209-R257 HydrophobicContact CB-CB 3.71Å; A209-R257 HydrophobicContact CB-CG 3.87Å
210A98.5Very high94.7Very high44 Ų4455.8 Ų55.836%0.36428%0.277SS..Hα-helixtrans-62.5-43.5-179.500000112.3Q206 R207 K214Q206-A210 WeakPolarHBondContact O-CB 3.45Å; Q206-A210 PolarHBondContact O-N 3.19Å; R207-A210 PolarHBondContact O-N 3.36Å; A210-K214 WeakPolarHBondContact O-CG 3.37Å; A210-K214 PolarHBondContact O-N 3.08Å; A210-K214 VanDerWaalsContact O-N 3.15Å
211E98.5Very high92.9Very high23 Ų2361.4 Ų61.411%0.10731%0.307CS..Hα-helixtrans-72.2-33.8178.3-63.7-48.7134.800112.2E163 A166 L167 R207 V208 A209 K214 L215 W262E163-E211 HydrophobicContact CB-CB 4.16Å; A166-E211 HydrophobicContact CB-CG 4.36Å; L167-E211 HydrophobicContact CD1-CB 3.97Å; L167-E211 HydrophobicContact CD1-CG 4.46Å; L167-E211 HydrophobicContact CD2-CB 4.05Å; L167-E211 HydrophobicContact CD2-CG 3.73Å; L167-E211 HydrophobicContact CG-CB 3.94Å; L167-E211 HydrophobicContact CG-CG 3.87Å; R207-E211 WeakPolarHBondContact O-CG 3.29Å; R207-E211 PolarHBondContact O-N 3.47Å; V208-E211 PolarHBondContact O-N 2.79Å; A209-E211 PolarHBondContact O-N 2.78Å; E211-K214 PolarHBondContact O-N 2.99Å; E211-K214 IonicContact OE1-NZ 2.96Å; E211-K214 PolarHBondContact OE1-NZ 3.19Å; E211-K214 WeakPolarHBondContact OE2-CD 3.19Å; E211-K214 IonicContact OE2-NZ 2.63Å; E211-K214 PolarHBondContact OE2-NZ 3.19Å; E211-L215 WeakPolarHBondContact O-CB 3.18Å; E211-L215 PolarHBondContact O-N 2.79Å; E211-W262 HydrophobicContact CB-CH2 4.39Å; E211-W262 HydrophobicContact CB-CZ2 4.05Å
212M97.6Very high91Very high0 Ų064.1 Ų64.10%033%0.332CS..Hα-helixtrans-65.7-44.1173.9-179.458.965.100111.1V208 A209 K214 L215 L216 C261 W262V208-M212 VanDerWaalsContact O-CB 3.3Å; V208-M212 WeakPolarHBondContact O-CB 3.5Å; V208-M212 PolarHBondContact O-N 3.04Å; A209-M212 PolarHBondContact O-N 2.87Å; M212-K214 VanDerWaalsContact C-N 3.3Å; M212-K214 PolarHBondContact O-N 3.38Å; M212-L215 PolarHBondContact O-N 3.49Å; M212-L216 HydrophobicContact CG-CD1 3.91Å; M212-L216 HydrophobicContact CG-CG 4.31Å; M212-L216 WeakPolarHBondContact O-CB 3.21Å; M212-L216 WeakPolarHBondContact O-CG 3.45Å; M212-L216 PolarHBondContact O-N 3.18Å; M212-L216 HydrophobicContact SD-CD1 3.99Å; M212-L216 HydrophobicContact SD-CD2 4.34Å; M212-L216 HydrophobicContact SD-CG 3.89Å; M212-C261 HydrophobicContact CE-CB 3.44Å; M212-C261 VanDerWaalsContact CE-CB 3.44Å; M212-W262 HydrophobicContact CB-CZ2 4.17Å; M212-W262 HydrophobicContact CE-CD2 4.06Å; M212-W262 HydrophobicContact CE-CG 4.26Å; M212-W262 HydrophobicContact CE-CZ2 3.92Å
213D96Very high88.3Confident46 Ų4668.5 Ų68.525%0.24635%0.346CS..Hα-helixtrans-61.9-38.1177-76.9-1.4000111.5A209 K217 R257A209-D213 WeakPolarHBondContact O-CB 3.43Å; A209-D213 PolarHBondContact O-N 2.83Å; D213-K217 WeakPolarHBondContact O-CB 3.24Å; D213-K217 WeakPolarHBondContact O-CG 3.24Å; D213-K217 PolarHBondContact O-N 3.45Å; D213-K217 VanDerWaalsContact O-N 3.07Å; D213-R257 IonicContact OD1-CZ 3.63Å; D213-R257 IonicContact OD1-NE 3.9Å; D213-R257 PolarHBondContact OD1-NE 3.44Å; D213-R257 IonicContact OD1-NH2 3.45Å; D213-R257 PolarHBondContact OD1-NH2 2.75Å; D213-R257 IonicContact OD2-CZ 3.48Å; D213-R257 IonicContact OD2-NE 3.65Å; D213-R257 PolarHBondContact OD2-NE 3.21Å; D213-R257 IonicContact OD2-NH2 2.79Å; D213-R257 PolarHBondContact OD2-NH2 3.13Å
214K96.5Very high85.8Confident107 Ų10772.6 Ų72.647%0.46537%0.369SS..Hα-helixtrans-64.4-48.3173.8-72.7171.3-172.3172.70111.6E163 A210 E211 M212 K217 R218E163-K214 HydrophobicContact CG-CB 3.9Å; A210-K214 WeakPolarHBondContact O-CG 3.37Å; A210-K214 PolarHBondContact O-N 3.08Å; A210-K214 VanDerWaalsContact O-N 3.15Å; E211-K214 PolarHBondContact O-N 2.99Å; E211-K214 IonicContact OE1-NZ 2.96Å; E211-K214 PolarHBondContact OE1-NZ 3.19Å; E211-K214 WeakPolarHBondContact OE2-CD 3.19Å; E211-K214 IonicContact OE2-NZ 2.63Å; E211-K214 PolarHBondContact OE2-NZ 3.19Å; M212-K214 VanDerWaalsContact C-N 3.3Å; M212-K214 PolarHBondContact O-N 3.38Å; K214-K217 PolarHBondContact O-N 3.07Å; K214-R218 PolarHBondContact O-N 2.8Å
215L95.3Very high83.3Confident0 Ų070.8 Ų70.80%036%0.355CS..Hα-helixtrans-58.9-51.3178.9174.962.3000110.8T161 E163 E211 M212 K217 R218 V219 V240 L248 W262 F265T161-L215 HydrophobicContact CG2-CD1 3.98Å; T161-L215 HydrophobicContact CG2-CD2 4.42Å; E163-L215 HydrophobicContact CB-CB 4.27Å; E163-L215 HydrophobicContact CG-CB 4.08Å; E211-L215 WeakPolarHBondContact O-CB 3.18Å; E211-L215 PolarHBondContact O-N 2.79Å; M212-L215 PolarHBondContact O-N 3.49Å; L215-K217 VanDerWaalsContact C-N 3.31Å; L215-K217 PolarHBondContact O-N 2.88Å; L215-R218 WeakPolarHBondContact O-CB 3.48Å; L215-R218 PolarHBondContact O-N 3.39Å; L215-R218 VanDerWaalsContact O-N 3.07Å; L215-V219 HydrophobicContact CD1-CG2 3.95Å; L215-V219 HydrophobicContact CG-CG2 4.32Å; L215-V219 VanDerWaalsContact O-CG2 3.26Å; L215-V219 WeakPolarHBondContact O-CG2 3.32Å; L215-V219 PolarHBondContact O-N 3.21Å; L215-V240 HydrophobicContact CD1-CG1 4.11Å; L215-V240 HydrophobicContact CD1-CG2 4.22Å; L215-L248 HydrophobicContact CD2-CD1 4.27Å; L215-W262 HydrophobicContact CB-CH2 4.1Å; L215-W262 HydrophobicContact CD2-CE3 4.36Å; L215-W262 HydrophobicContact CD2-CH2 3.66Å; L215-W262 HydrophobicContact CD2-CZ2 4.49Å; L215-W262 HydrophobicContact CD2-CZ3 3.59Å; L215-W262 HydrophobicContact CG-CH2 4.49Å; L215-F265 HydrophobicContact CD2-CE2 4.24Å; L215-F265 HydrophobicContact CD2-CZ 3.99Å
216L92Very high80.7Confident25 Ų2569.5 Ų69.513%0.13135%0.347CS..Hα-helixtrans-61.9-39.9-179.2-68.9173.8000111.6M212 V219 V220 N252M212-L216 HydrophobicContact CG-CD1 3.91Å; M212-L216 HydrophobicContact CG-CG 4.31Å; M212-L216 WeakPolarHBondContact O-CB 3.21Å; M212-L216 WeakPolarHBondContact O-CG 3.45Å; M212-L216 PolarHBondContact O-N 3.18Å; M212-L216 HydrophobicContact SD-CD1 3.99Å; M212-L216 HydrophobicContact SD-CD2 4.34Å; M212-L216 HydrophobicContact SD-CG 3.89Å; L216-V219 PolarHBondContact O-N 3.46Å; L216-V220 VanDerWaalsContact O-CB 3.24Å; L216-V220 WeakPolarHBondContact O-CB 3.22Å; L216-V220 WeakPolarHBondContact O-CG2 3.49Å; L216-V220 PolarHBondContact O-N 3.35Å; L216-N252 HydrophobicContact CD1-CB 4.15Å; L216-N252 VanDerWaalsContact CD1-ND2 3.31Å; L216-N252 WeakPolarHBondContact CD1-ND2 3.4Å
217K90.6Very high78.1Confident136 Ų13668.5 Ų68.559%0.59135%0.35SS*.Hα-helixtrans-60.7-43.9172.3-76172.2-176.2177.80111.9D213 K214 L215 V219 V220 N221D213-K217 WeakPolarHBondContact O-CB 3.24Å; D213-K217 WeakPolarHBondContact O-CG 3.24Å; D213-K217 PolarHBondContact O-N 3.45Å; D213-K217 VanDerWaalsContact O-N 3.07Å; K214-K217 PolarHBondContact O-N 3.07Å; L215-K217 VanDerWaalsContact C-N 3.31Å; L215-K217 PolarHBondContact O-N 2.88Å; K217-V219 VanDerWaalsContact C-N 3.35Å; K217-V220 PolarHBondContact O-N 3.28Å; K217-N221 WeakPolarHBondContact O-CB 3.44Å; K217-N221 PolarHBondContact O-N 3.46Å; K217-N221 PolarHBondContact O-ND2 2.87Å
218R89.4Confident75.2Confident99 Ų9967 Ų6737%0.37435%0.349SS..Hα-helixtrans-63.2-41.1178-178.8169.265.399.6-4.1112A160 E163 K214 L215 A222A160-R218 PolarHBondContact O-NH1 2.8Å; A160-R218 PolarHBondContact O-NH2 3.26Å; A160-R218 VanDerWaalsContact O-NH2 3.15Å; E163-R218 IonicContact OE1-CZ 3.39Å; E163-R218 IonicContact OE1-NE 3.95Å; E163-R218 PolarHBondContact OE1-NE 3.4Å; E163-R218 IonicContact OE1-NH2 3.49Å; E163-R218 IonicContact OE2-CZ 3.38Å; E163-R218 IonicContact OE2-NE 3.81Å; E163-R218 PolarHBondContact OE2-NE 2.74Å; E163-R218 IonicContact OE2-NH2 2.78Å; E163-R218 PolarHBondContact OE2-NH2 2.94Å; K214-R218 PolarHBondContact O-N 2.8Å; L215-R218 WeakPolarHBondContact O-CB 3.48Å; L215-R218 PolarHBondContact O-N 3.39Å; L215-R218 VanDerWaalsContact O-N 3.07Å; R218-A222 PolarHBondContact O-N 2.89Å
219V83.5Confident72.6Confident19 Ų1970.5 Ų70.512%0.11537%0.367CS..Hα-helixtrans-70.1-39.9179.51740000111.9L215 L216 K217 V240 A245L215-V219 HydrophobicContact CD1-CG2 3.95Å; L215-V219 HydrophobicContact CG-CG2 4.32Å; L215-V219 VanDerWaalsContact O-CG2 3.26Å; L215-V219 WeakPolarHBondContact O-CG2 3.32Å; L215-V219 PolarHBondContact O-N 3.21Å; L216-V219 PolarHBondContact O-N 3.46Å; K217-V219 VanDerWaalsContact C-N 3.35Å; V219-V240 HydrophobicContact CG2-CG2 3.23Å; V219-A245 HydrophobicContact CG1-CB 3.42Å; V219-A245 VanDerWaalsContact CG1-CB 3.42Å
220V72.1Confident69.8Low40 Ų4078.3 Ų78.324%0.24240%0.4CS..Hα-helixtrans-72.3-39.7178.21640000112.3L216 K217 A222 F225 F226L216-V220 VanDerWaalsContact O-CB 3.24Å; L216-V220 WeakPolarHBondContact O-CB 3.22Å; L216-V220 WeakPolarHBondContact O-CG2 3.49Å; L216-V220 PolarHBondContact O-N 3.35Å; K217-V220 PolarHBondContact O-N 3.28Å; V220-A222 PolarHBondContact O-N 2.65Å; V220-F225 HydrophobicContact CG2-CD1 4.16Å; V220-F226 HydrophobicContact CB-CE2 4.08Å; V220-F226 HydrophobicContact CG1-CD2 3.62Å; V220-F226 HydrophobicContact CG1-CE2 3.45Å; V220-F226 VanDerWaalsContact CG1-CE2 3.45Å; V220-F226 HydrophobicContact CG2-CD2 4.27Å; V220-F226 HydrophobicContact CG2-CE2 3.47Å; V220-F226 VanDerWaalsContact CG2-CE2 3.47Å; V220-F226 HydrophobicContact CG2-CZ 4.24Å
221N60.5Low66.8Low118 Ų11881.8 Ų81.863%0.63142%0.417SS*.THydrogen-bonded Turntrans-79.3-1.6-178.2-67.6-15.7000113.4K217 E223K217-N221 WeakPolarHBondContact O-CB 3.44Å; K217-N221 PolarHBondContact O-N 3.46Å; K217-N221 PolarHBondContact O-ND2 2.87Å; N221-E223 PolarHBondContact O-N 2.83Å
222A57.1Low63.6Low72 Ų7282.9 Ų82.960%0.59543%0.427SS*.THydrogen-bonded Turntrans-73.366.5162.200000108.8R218 V220 D224R218-A222 PolarHBondContact O-N 2.89Å; V220-A222 PolarHBondContact O-N 2.65Å; A222-D224 VanDerWaalsContact C-N 3.27Å; A222-D224 PolarHBondContact O-N 3.4Å
223E40.5Very low60.6Low184 Ų18489.9 Ų89.986%0.8647%0.47SS*.THydrogen-bonded Turntrans24-13.7174.7-69.4-177.3152.800123.8N221N221-E223 PolarHBondContact O-N 2.83Å
224D45.4Very low57.5Low128 Ų12894.1 Ų94.168%0.68449%0.493SS*.THydrogen-bonded Turntrans-122.8-0.5-173.6-74.3-39.5000116.1A222 F226A222-D224 VanDerWaalsContact C-N 3.27Å; A222-D224 PolarHBondContact O-N 3.4Å; D224-F226 PolarHBondContact O-N 3.48Å
225F45Very low54.7Low17 Ų1790.2 Ų90.28%0.07548%0.48CS..THydrogen-bonded Turntrans-70.8-29.1-164.9-166.7-104.5000116.3V220 L229 N237 A245 H249V220-F225 HydrophobicContact CG2-CD1 4.16Å; F225-L229 HydrophobicContact CD1-CD1 4.19Å; F225-L229 HydrophobicContact CE1-CD1 3.81Å; F225-L229 HydrophobicContact CZ-CD1 4.14Å; F225-L229 WeakPolarHBondContact O-CD1 3.43Å; F225-N237 HydrophobicContact CE2-CB 4.4Å; F225-A245 HydrophobicContact CD2-CB 4.48Å; F225-A245 HydrophobicContact CE2-CB 3.76Å; F225-A245 HydrophobicContact CZ-CB 4.29Å; F225-H249 HydrophobicContact CZ-CB 4.46Å
226F43.7Very low52.1Low116 Ų11696.8 Ų96.851%0.50952%0.521SS..THydrogen-bonded Turntrans-103-11.9-171.7-86-69.8000116V220 D224 L229V220-F226 HydrophobicContact CB-CE2 4.08Å; V220-F226 HydrophobicContact CG1-CD2 3.62Å; V220-F226 HydrophobicContact CG1-CE2 3.45Å; V220-F226 VanDerWaalsContact CG1-CE2 3.45Å; V220-F226 HydrophobicContact CG2-CD2 4.27Å; V220-F226 HydrophobicContact CG2-CE2 3.47Å; V220-F226 VanDerWaalsContact CG2-CE2 3.47Å; V220-F226 HydrophobicContact CG2-CZ 4.24Å; D224-F226 PolarHBondContact O-N 3.48Å; F226-L229 HydrophobicContact CD1-CD1 4.44Å
227V43.6Very low50.3Low121 Ų12196.9 Ų96.973%0.73352%0.521SS*.THydrogen-bonded Turntrans-81.4-26.5-179.51790000111.9T231V227-T231 PolarHBondContact O-OG1 2.86Å
228E37.7Very low49.6Very low91 Ų9192.5 Ų92.543%0.42552%0.515SS..SBendtrans-93.5-18.4-177.8-86.9-171.3148.600115.9Q230 T231 S232 A235E228-Q230 PolarHBondContact O-N 3.24Å; E228-Q230 VanDerWaalsContact O-N 3.08Å; E228-T231 PolarHBondContact O-N 2.85Å; E228-S232 PolarHBondContact O-N 2.93Å; E228-A235 HydrophobicContact CB-CB 4.41Å
229L43.4Very low49.5Very low75 Ų7591.8 Ų91.839%0.39353%0.525SS..THydrogen-bonded Turntrans-66.9-11.9-177.4-89.4162000114.4F225 F226F225-L229 HydrophobicContact CD1-CD1 4.19Å; F225-L229 HydrophobicContact CE1-CD1 3.81Å; F225-L229 HydrophobicContact CZ-CD1 4.14Å; F225-L229 WeakPolarHBondContact O-CD1 3.43Å; F226-L229 HydrophobicContact CD1-CD1 4.44Å
230Q39.9Very low49.9Very low184 Ų18491.3 Ų91.386%0.8652%0.522SS*.THydrogen-bonded Turntrans-103.8-9.4177-73.4-171.1-24.200114.4E228E228-Q230 PolarHBondContact O-N 3.24Å; E228-Q230 VanDerWaalsContact O-N 3.08Å
231T34.5Very low50.9Low116 Ų11690.3 Ų90.371%0.71252%0.52SS*.THydrogen-bonded Turntrans-136.7-4.4-164.451.90000116.1V227 E228V227-T231 PolarHBondContact O-OG1 2.86Å; E228-T231 PolarHBondContact O-N 2.85Å
232S31.5Very low52.6Low47 Ų4787.7 Ų87.733%0.32951%0.505SS..  trans-138.1121.5-173.1171.80000112.5E228 N234E228-S232 PolarHBondContact O-N 2.93Å; S232-N234 PolarHBondContact O-N 3.25Å; S232-N234 PolarHBondContact OG-N 3.42Å; S232-N234 VanDerWaalsContact OG-N 3.15Å
233T35.4Very low54.4Low147 Ų14784.2 Ų84.290%0.90248%0.477SS*.THydrogen-bonded Turntrans-73.19.4168.545.90000113.2
234N30.8Very low56.9Low135 Ų13578.2 Ų78.272%0.72245%0.45SS*.THydrogen-bonded Turntrans-137.235.6-176.2-83.9-16.8000112.9S232 T236S232-N234 PolarHBondContact O-N 3.25Å; S232-N234 PolarHBondContact OG-N 3.42Å; S232-N234 VanDerWaalsContact OG-N 3.15Å; N234-T236 PolarHBondContact O-N 3.37Å
235A37.7Very low59.1Low24 Ų2472.1 Ų72.120%0.19842%0.418CS..  trans-67.1102.1170.500000109.4E228 N237E228-A235 HydrophobicContact CB-CB 4.41Å; A235-N237 WeakPolarHBondContact CB-OD1 3.03Å; A235-N237 PolarHBondContact O-N 2.89Å
236T40.3Very low61.4Low139 Ų13975.4 Ų75.485%0.85343%0.434SS*.  trans-69.676.3160.446.40000107.6N234N234-T236 PolarHBondContact O-N 3.37Å
237N54.4Low63.8Low27 Ų2770 Ų7014%0.14441%0.41CS..  trans-57.5136.5-178.6-78-36.1000110.4F225 A235 E246F225-N237 HydrophobicContact CE2-CB 4.4Å; A235-N237 WeakPolarHBondContact CB-OD1 3.03Å; A235-N237 PolarHBondContact O-N 2.89Å; N237-E246 HydrophobicContact CB-CB 4.12Å; N237-E246 VanDerWaalsContact ND2-CD 3.29Å; N237-E246 PolarHBondContact ND2-OE2 3.27Å
238G75.6Confident66.3Low44 Ų4464.3 Ų64.345%0.45438%0.375SS..  trans-50.6159.1-178.300000113.6A245G238-A245 WeakPolarHBondContact O-CB 3.44Å; G238-A245 PolarHBondContact O-N 3.1Å
239S88.1Confident68.9Low84 Ų8463 Ų6359%0.58737%0.369SS*.EExtended strand (participates in β ladder)trans-122.5151.6174.756.30000110.8V243S239-V243 CarbonylContact C-O 3.36Å; S239-V243 VanDerWaalsContact CA-O 3.24Å; S239-V243 WeakPolarHBondContact CA-O 3.31Å; S239-V243 WeakPolarHBondContact CB-O 3.5Å
240V91.1Very high71.4Confident8 Ų862.3 Ų62.35%0.04836%0.362CS..EExtended strand (participates in β ladder)trans-114.1104.6167.2-170.30000107.2T161 L215 V219 L242 V243 F265T161-V240 HydrophobicContact CG2-CG1 4.18Å; T161-V240 WeakPolarHBondContact OG1-CG1 3.2Å; L215-V240 HydrophobicContact CD1-CG1 4.11Å; L215-V240 HydrophobicContact CD1-CG2 4.22Å; V219-V240 HydrophobicContact CG2-CG2 3.23Å; V240-L242 PolarHBondContact O-N 3.47Å; V240-V243 PolarHBondContact N-O 2.89Å; V240-V243 PolarHBondContact O-N 3.36Å; V240-V243 VanDerWaalsContact O-N 3.13Å; V240-F265 HydrophobicContact CB-CE1 4.3Å; V240-F265 HydrophobicContact CG1-CE1 4.27Å
241G93Very high74.1Confident19 Ų1953.7 Ų53.720%0.19632%0.321CS..THydrogen-bonded Turntrans64.2-116.5-16600000110
242L95.4Very high77.1Confident63 Ų6349.3 Ų49.333%0.3329%0.294SS..THydrogen-bonded Turntrans-1055178.3-60.2171.1000112.9E153 Q156 N157 V240E153-L242 HydrophobicContact CB-CD1 3.41Å; E153-L242 VanDerWaalsContact CB-CD1 3.41Å; E153-L242 HydrophobicContact CG-CD1 3.48Å; E153-L242 VanDerWaalsContact CG-CD1 3.48Å; Q156-L242 HydrophobicContact CG-CG 4.42Å; N157-L242 WeakPolarHBondContact OD1-CB 3.31Å; N157-L242 PolarHBondContact OD1-N 2.89Å; V240-L242 PolarHBondContact O-N 3.47Å
243V96.1Very high80.2Confident0 Ų054.2 Ų54.20%031%0.309CS..EExtended strand (participates in β ladder)trans-98.2128-178.3-175.90000110.2S239 V240 A245 L248 P264 F265S239-V243 CarbonylContact C-O 3.36Å; S239-V243 VanDerWaalsContact CA-O 3.24Å; S239-V243 WeakPolarHBondContact CA-O 3.31Å; S239-V243 WeakPolarHBondContact CB-O 3.5Å; V240-V243 PolarHBondContact N-O 2.89Å; V240-V243 PolarHBondContact O-N 3.36Å; V240-V243 VanDerWaalsContact O-N 3.13Å; V243-A245 PolarHBondContact O-N 2.86Å; V243-L248 HydrophobicContact CG1-CD1 3.94Å; V243-L248 HydrophobicContact CG1-CD2 3.84Å; V243-L248 HydrophobicContact CG1-CG 3.7Å; V243-P264 HydrophobicContact CG1-CB 3.76Å; V243-P264 HydrophobicContact CG2-CB 4.16Å; V243-P264 WeakPolarHBondContact CG2-O 3.45Å; V243-F265 HydrophobicContact CB-CD1 4.19Å; V243-F265 HydrophobicContact CB-CE1 3.95Å; V243-F265 HydrophobicContact CB-CZ 4.2Å; V243-F265 HydrophobicContact CG1-CZ 4.43Å; V243-F265 HydrophobicContact CG2-CB 4.29Å; V243-F265 HydrophobicContact CG2-CD1 3.44Å; V243-F265 VanDerWaalsContact CG2-CD1 3.44Å; V243-F265 HydrophobicContact CG2-CD2 4.21Å; V243-F265 HydrophobicContact CG2-CE1 3.74Å; V243-F265 HydrophobicContact CG2-CE2 4.46Å; V243-F265 HydrophobicContact CG2-CG 3.71Å; V243-F265 HydrophobicContact CG2-CZ 4.25Å
244N92.8Very high83Confident57 Ų5750 Ų5031%0.30528%0.279SS..EExtended strand (participates in β ladder)trans-68.2127.6175.8-176-36.2000110.7E246 L247 L248N244-E246 VanDerWaalsContact C-N 3.3Å; N244-E246 PolarHBondContact O-N 2.85Å; N244-E246 WeakPolarHBondContact OD1-CA 3.42Å; N244-E246 WeakPolarHBondContact OD1-CB 3.41Å; N244-E246 PolarHBondContact OD1-N 3.28Å; N244-L247 HydrophobicContact CB-CB 4.28Å; N244-L247 WeakPolarHBondContact O-CB 3.34Å; N244-L247 PolarHBondContact O-N 3.35Å; N244-L248 PolarHBondContact O-N 2.91Å
245A91.8Very high86.2Confident1 Ų145 Ų451%0.00825%0.251CS..Hα-helixtrans-60.9-35.8178.500000113.3V219 F225 G238 V243 L247 L248 H249V219-A245 HydrophobicContact CG1-CB 3.42Å; V219-A245 VanDerWaalsContact CG1-CB 3.42Å; F225-A245 HydrophobicContact CD2-CB 4.48Å; F225-A245 HydrophobicContact CE2-CB 3.76Å; F225-A245 HydrophobicContact CZ-CB 4.29Å; G238-A245 WeakPolarHBondContact O-CB 3.44Å; G238-A245 PolarHBondContact O-N 3.1Å; V243-A245 PolarHBondContact O-N 2.86Å; A245-L247 VanDerWaalsContact C-N 3.33Å; A245-L248 WeakPolarHBondContact O-CB 3.33Å; A245-L248 PolarHBondContact O-N 3.15Å; A245-H249 PolarHBondContact O-N 3.36Å
246E92.4Very high89Confident85 Ų8548.3 Ų48.340%0.39727%0.27SS..Hα-helixtrans-63.7-39.8176-169.6-172.917000111.3N237 N244 H249 R250N237-E246 HydrophobicContact CB-CB 4.12Å; N237-E246 VanDerWaalsContact ND2-CD 3.29Å; N237-E246 PolarHBondContact ND2-OE2 3.27Å; N244-E246 VanDerWaalsContact C-N 3.3Å; N244-E246 PolarHBondContact O-N 2.85Å; N244-E246 WeakPolarHBondContact OD1-CA 3.42Å; N244-E246 WeakPolarHBondContact OD1-CB 3.41Å; N244-E246 PolarHBondContact OD1-N 3.28Å; E246-H249 PolarHBondContact O-N 2.81Å; E246-R250 VanDerWaalsContact O-CB 3.32Å; E246-R250 WeakPolarHBondContact O-CB 3.3Å; E246-R250 PolarHBondContact O-N 3.43Å
247L95Very high91.7Very high3 Ų347.7 Ų47.72%0.01625%0.252CS..Hα-helixtrans-61-47.6173.5173.864.7000110.3N244 A245 H249 R250 L251 P264 H269 L289N244-L247 HydrophobicContact CB-CB 4.28Å; N244-L247 WeakPolarHBondContact O-CB 3.34Å; N244-L247 PolarHBondContact O-N 3.35Å; A245-L247 VanDerWaalsContact C-N 3.33Å; L247-H249 VanDerWaalsContact C-N 3.32Å; L247-H249 PolarHBondContact O-N 3.16Å; L247-R250 PolarHBondContact O-N 2.79Å; L247-L251 HydrophobicContact CD1-CD1 3.98Å; L247-L251 HydrophobicContact CD1-CD2 4.29Å; L247-L251 HydrophobicContact CD1-CG 3.84Å; L247-L251 HydrophobicContact CG-CD1 4.01Å; L247-L251 HydrophobicContact CG-CG 4.25Å; L247-L251 WeakPolarHBondContact O-CB 3.5Å; L247-L251 WeakPolarHBondContact O-CG 3.16Å; L247-L251 PolarHBondContact O-N 3Å; L247-P264 HydrophobicContact CD2-CB 3.88Å; L247-P264 HydrophobicContact CD2-CG 3.75Å; L247-P264 HydrophobicContact CG-CG 4.42Å; L247-H269 HydrophobicContact CD2-CB 4.43Å; L247-L289 HydrophobicContact CD1-CD1 3.82Å; L247-L289 HydrophobicContact CD2-CD1 4.44Å
248L95.1Very high93.7Very high1 Ų147.5 Ų47.51%0.00525%0.251CS..Hα-helixtrans-58.7-45.1178-67.9172.1000111.5L215 V243 N244 A245 L251 N252 C261 F265L215-L248 HydrophobicContact CD2-CD1 4.27Å; V243-L248 HydrophobicContact CG1-CD1 3.94Å; V243-L248 HydrophobicContact CG1-CD2 3.84Å; V243-L248 HydrophobicContact CG1-CG 3.7Å; N244-L248 PolarHBondContact O-N 2.91Å; A245-L248 WeakPolarHBondContact O-CB 3.33Å; A245-L248 PolarHBondContact O-N 3.15Å; L248-L251 PolarHBondContact O-N 3.32Å; L248-N252 VanDerWaalsContact O-CB 3.3Å; L248-N252 WeakPolarHBondContact O-CB 3.48Å; L248-N252 PolarHBondContact O-N 3.38Å; L248-C261 WeakPolarHBondContact CD2-O 3.12Å; L248-F265 HydrophobicContact CD1-CE2 4.16Å; L248-F265 HydrophobicContact CD1-CZ 3.8Å; L248-F265 HydrophobicContact CD2-CE2 3.64Å; L248-F265 HydrophobicContact CD2-CZ 4.15Å
249H93.8Very high94.8Very high65 Ų6546.3 Ų46.330%0.30124%0.235SC..Hα-helixtrans-62.6-44.7177.4-171.480.6000111.7F225 A245 E246 L247 N252 K253F225-H249 HydrophobicContact CZ-CB 4.46Å; A245-H249 PolarHBondContact O-N 3.36Å; E246-H249 PolarHBondContact O-N 2.81Å; L247-H249 VanDerWaalsContact C-N 3.32Å; L247-H249 PolarHBondContact O-N 3.16Å; H249-N252 PolarHBondContact O-N 2.83Å; H249-K253 VanDerWaalsContact O-CB 3.27Å; H249-K253 WeakPolarHBondContact O-CB 3.39Å; H249-K253 PolarHBondContact O-N 3.25Å
250R95.3Very high95.3Very high60 Ų6042.4 Ų42.423%0.22621%0.208CC..Hα-helixtrans-64.4-44.5178.6179165.750.21172.6112.1E143 E246 L247 K253 H254E143-R250 IonicContact OE1-NH2 3.6Å; E143-R250 PolarHBondContact OE1-NH2 3.28Å; E143-R250 IonicContact OE2-CZ 2.74Å; E143-R250 IonicContact OE2-NH1 2.73Å; E143-R250 PolarHBondContact OE2-NH1 3.46Å; E143-R250 IonicContact OE2-NH2 3.11Å; E143-R250 PolarHBondContact OE2-NH2 3.33Å; E246-R250 VanDerWaalsContact O-CB 3.32Å; E246-R250 WeakPolarHBondContact O-CB 3.3Å; E246-R250 PolarHBondContact O-N 3.43Å; L247-R250 PolarHBondContact O-N 2.79Å; R250-K253 PolarHBondContact O-N 3.09Å; R250-H254 PolarHBondContact O-N 2.88Å; R250-H254 VanDerWaalsContact O-N 3.15Å
251L97.3Very high95.6Very high2 Ų242 Ų421%0.0121%0.205CC..Hα-helixtrans-61.5-48.6175.5-68.9-179.3000110.9A103 L247 L248 K253 H254 F255 C261 P264 L289 L308A103-L251 HydrophobicContact CB-CD2 3.67Å; L247-L251 HydrophobicContact CD1-CD1 3.98Å; L247-L251 HydrophobicContact CD1-CD2 4.29Å; L247-L251 HydrophobicContact CD1-CG 3.84Å; L247-L251 HydrophobicContact CG-CD1 4.01Å; L247-L251 HydrophobicContact CG-CG 4.25Å; L247-L251 WeakPolarHBondContact O-CB 3.5Å; L247-L251 WeakPolarHBondContact O-CG 3.16Å; L247-L251 PolarHBondContact O-N 3Å; L248-L251 PolarHBondContact O-N 3.32Å; L251-K253 VanDerWaalsContact C-N 3.3Å; L251-K253 PolarHBondContact O-N 3.04Å; L251-H254 PolarHBondContact O-N 2.91Å; L251-H254 VanDerWaalsContact O-N 3.16Å; L251-F255 PolarHBondContact O-N 2.73Å; L251-C261 HydrophobicContact CB-CB 4.37Å; L251-P264 HydrophobicContact CD1-CG 3.66Å; L251-L289 HydrophobicContact CD2-CD2 4.11Å; L251-L308 HydrophobicContact CD2-CD1 4.05Å; L251-L308 HydrophobicContact CD2-CD2 4.46Å
252N96.6Very high95.9Very high25 Ų2541.1 Ų41.113%0.13420%0.196CC..Hα-helixtrans-66.7-30.1179-175.477000112.6L216 L248 H249 H254 F255 P256 R257L216-N252 HydrophobicContact CD1-CB 4.15Å; L216-N252 VanDerWaalsContact CD1-ND2 3.31Å; L216-N252 WeakPolarHBondContact CD1-ND2 3.4Å; L248-N252 VanDerWaalsContact O-CB 3.3Å; L248-N252 WeakPolarHBondContact O-CB 3.48Å; L248-N252 PolarHBondContact O-N 3.38Å; H249-N252 PolarHBondContact O-N 2.83Å; N252-H254 VanDerWaalsContact C-N 3.35Å; N252-F255 CarbonylContact O-C 3.53Å; N252-P256 WeakPolarHBondContact O-CA 3.48Å; N252-P256 WeakPolarHBondContact O-CG 3.42Å; N252-R257 PolarHBondContact OD1-N 2.76Å
253K95.5Very high96Very high150 Ų15038.3 Ų38.365%0.65218%0.182SC*.Hα-helixtrans-64.3-40.9172.8-179.2-179.4177.7-178.40111.5H249 R250 L251H249-K253 VanDerWaalsContact O-CB 3.27Å; H249-K253 WeakPolarHBondContact O-CB 3.39Å; H249-K253 PolarHBondContact O-N 3.25Å; R250-K253 PolarHBondContact O-N 3.09Å; L251-K253 VanDerWaalsContact C-N 3.3Å; L251-K253 PolarHBondContact O-N 3.04Å
254H95.1Very high96.1Very high58 Ų5838.3 Ų38.327%0.26918%0.182SC..Hα-helixtrans-80-34.5179.2-65.5161.7000113R250 L251 N252R250-H254 PolarHBondContact O-N 2.88Å; R250-H254 VanDerWaalsContact O-N 3.15Å; L251-H254 PolarHBondContact O-N 2.91Å; L251-H254 VanDerWaalsContact O-N 3.16Å; N252-H254 VanDerWaalsContact C-N 3.35Å
255F97.2Very high96.4Very high31 Ų3135.6 Ų35.614%0.13617%0.168CC..SBendtrans-133.175.8-178.3-57.6-79.9000109.8A103 L251 N252 R257 D258 C261 L308A103-F255 HydrophobicContact CB-CE2 4.17Å; A103-F255 WeakPolarHBondContact O-CE2 3.42Å; A103-F255 WeakPolarHBondContact O-CZ 3.33Å; L251-F255 PolarHBondContact O-N 2.73Å; N252-F255 CarbonylContact O-C 3.53Å; F255-R257 PolarHBondContact O-N 2.97Å; F255-R257 VanDerWaalsContact O-N 3.13Å; F255-D258 HydrophobicContact CB-CB 3.68Å; F255-D258 WeakPolarHBondContact O-CB 3.38Å; F255-D258 PolarHBondContact O-N 2.81Å; F255-D258 VanDerWaalsContact O-N 3.14Å; F255-C261 PolarHBondContact O-SG 3.01Å; F255-L308 HydrophobicContact CB-CD2 4.1Å; F255-L308 HydrophobicContact CD2-CB 3.97Å; F255-L308 HydrophobicContact CD2-CD2 3.78Å; F255-L308 HydrophobicContact CD2-CG 4.43Å; F255-L308 VanDerWaalsContact CE1-O 3.27Å; F255-L308 WeakPolarHBondContact CE1-O 3.15Å; F255-L308 HydrophobicContact CE2-CB 3.97Å; F255-L308 HydrophobicContact CG-CB 4.3Å; F255-L308 HydrophobicContact CG-CD2 4.1Å; F255-L308 HydrophobicContact CZ-CB 4.29Å; F255-L308 VanDerWaalsContact CZ-O 3.27Å; F255-L308 WeakPolarHBondContact CZ-O 3.45Å
256P97Very high96.7Very high93 Ų9335.5 Ų35.560%0.60417%0.167SC*.THydrogen-bonded Turntrans-53.8121.6-175.3-26.835.1000111.9N252 D258N252-P256 WeakPolarHBondContact O-CA 3.48Å; N252-P256 WeakPolarHBondContact O-CG 3.42Å; P256-D258 PolarHBondContact O-N 2.92Å; P256-D258 VanDerWaalsContact O-N 3.15Å
257R96.5Very high97Very high125 Ų12531.5 Ų31.547%0.47215%0.148SC..THydrogen-bonded Turntrans60.719.8175-63.2153.7170.1174.4-2114.4V208 A209 D213 N252 F255V208-R257 WeakPolarHBondContact CG1-O 3.2Å; A209-R257 HydrophobicContact CB-CB 3.71Å; A209-R257 HydrophobicContact CB-CG 3.87Å; D213-R257 IonicContact OD1-CZ 3.63Å; D213-R257 IonicContact OD1-NE 3.9Å; D213-R257 PolarHBondContact OD1-NE 3.44Å; D213-R257 IonicContact OD1-NH2 3.45Å; D213-R257 PolarHBondContact OD1-NH2 2.75Å; D213-R257 IonicContact OD2-CZ 3.48Å; D213-R257 IonicContact OD2-NE 3.65Å; D213-R257 PolarHBondContact OD2-NE 3.21Å; D213-R257 IonicContact OD2-NH2 2.79Å; D213-R257 PolarHBondContact OD2-NH2 3.13Å; N252-R257 PolarHBondContact OD1-N 2.76Å; F255-R257 PolarHBondContact O-N 2.97Å; F255-R257 VanDerWaalsContact O-N 3.13Å
258D98.2Very high97.2Very high23 Ų2331.3 Ų31.312%0.12315%0.147CC..  trans-74.4142178.3-173.2-83.1000111.4F255 P256 G260 C261 G307 L308 K313F255-D258 HydrophobicContact CB-CB 3.68Å; F255-D258 WeakPolarHBondContact O-CB 3.38Å; F255-D258 PolarHBondContact O-N 2.81Å; F255-D258 VanDerWaalsContact O-N 3.14Å; P256-D258 PolarHBondContact O-N 2.92Å; P256-D258 VanDerWaalsContact O-N 3.15Å; D258-G260 PolarHBondContact O-N 3.05Å; D258-G260 WeakPolarHBondContact OD1-CA 3.27Å; D258-G260 PolarHBondContact OD1-N 3.03Å; D258-C261 VanDerWaalsContact O-CB 3.3Å; D258-C261 WeakPolarHBondContact O-CB 3.29Å; D258-C261 PolarHBondContact O-N 3.27Å; D258-G307 WeakPolarHBondContact OD1-CA 3.49Å; D258-L308 PolarHBondContact OD1-N 2.83Å; D258-K313 IonicContact OD2-NZ 2.75Å
259V98.4Very high97.3Very high20 Ų2033.5 Ų33.512%0.12116%0.158CC..G310 helixtrans-60.8-27.9-179.671.60000112.8L200 L201 V208 C261 W262 A306L200-V259 HydrophobicContact CD1-CG2 4.14Å; L200-V259 HydrophobicContact CG-CG2 4.18Å; L201-V259 HydrophobicContact CD2-CG1 4.17Å; L201-V259 HydrophobicContact CD2-CG2 4.06Å; V208-V259 HydrophobicContact CG1-CB 4Å; V208-V259 HydrophobicContact CG1-CG2 4.33Å; V208-V259 HydrophobicContact CG2-CB 4.22Å; V208-V259 HydrophobicContact CG2-CG2 4.02Å; V259-C261 PolarHBondContact O-N 2.82Å; V259-W262 WeakPolarHBondContact O-CB 3.4Å; V259-W262 PolarHBondContact O-N 2.77Å; V259-W262 VanDerWaalsContact O-N 3.09Å; V259-A306 WeakPolarHBondContact CG1-O 3.32Å
260G98.1Very high97.5Very high1 Ų131.4 Ų31.41%0.0115%0.148CC..G310 helixtrans-65.1-18.4175.800000114D258 W262 A263 L308D258-G260 PolarHBondContact O-N 3.05Å; D258-G260 WeakPolarHBondContact OD1-CA 3.27Å; D258-G260 PolarHBondContact OD1-N 3.03Å; G260-W262 PolarHBondContact O-N 2.92Å; G260-A263 WeakPolarHBondContact O-CB 3.44Å; G260-A263 PolarHBondContact O-N 3.31Å; G260-L308 VanDerWaalsContact C-CD2 3.5Å
261C98Very high97.6Very high0 Ų031 Ų310%015%0.153CC..G310 helixtrans-65.5-16.9172.5-63.50000112.6M212 L248 L251 F255 D258 V259 P264M212-C261 HydrophobicContact CE-CB 3.44Å; M212-C261 VanDerWaalsContact CE-CB 3.44Å; L248-C261 WeakPolarHBondContact CD2-O 3.12Å; L251-C261 HydrophobicContact CB-CB 4.37Å; F255-C261 PolarHBondContact O-SG 3.01Å; D258-C261 VanDerWaalsContact O-CB 3.3Å; D258-C261 WeakPolarHBondContact O-CB 3.29Å; D258-C261 PolarHBondContact O-N 3.27Å; V259-C261 PolarHBondContact O-N 2.82Å; C261-P264 WeakPolarHBondContact O-CD 3.29Å
262W98.4Very high97.7Very high0 Ų030.9 Ų30.90%015%0.153CC..G310 helixtrans-88-9.7174.2-60.493.3000113.4T161 E163 L164 L167 L200 E211 M212 L215 V259 G260 P264 F265T161-W262 HydrophobicContact CG2-CZ3 4Å; E163-W262 HydrophobicContact CB-CH2 3.72Å; E163-W262 HydrophobicContact CB-CZ3 4.37Å; L164-W262 HydrophobicContact CB-CE3 3.96Å; L164-W262 HydrophobicContact CB-CZ3 3.72Å; L164-W262 HydrophobicContact CD1-CB 4.47Å; L164-W262 HydrophobicContact CD1-CD2 4.23Å; L164-W262 HydrophobicContact CD1-CE3 3.62Å; L164-W262 HydrophobicContact CD1-CZ3 4.25Å; L164-W262 HydrophobicContact CG-CE3 4.29Å; L167-W262 HydrophobicContact CD1-CD2 3.98Å; L167-W262 VanDerWaalsContact CD1-CE2 3.41Å; L167-W262 HydrophobicContact CD1-CG 4.47Å; L167-W262 HydrophobicContact CD1-CH2 4.17Å; L167-W262 HydrophobicContact CD1-CZ2 3.52Å; L200-W262 HydrophobicContact CD1-CB 4.12Å; L200-W262 HydrophobicContact CD1-CG 4.11Å; L200-W262 HydrophobicContact CD2-CB 3.84Å; E211-W262 HydrophobicContact CB-CH2 4.39Å; E211-W262 HydrophobicContact CB-CZ2 4.05Å; M212-W262 HydrophobicContact CB-CZ2 4.17Å; M212-W262 HydrophobicContact CE-CD2 4.06Å; M212-W262 HydrophobicContact CE-CG 4.26Å; M212-W262 HydrophobicContact CE-CZ2 3.92Å; L215-W262 HydrophobicContact CB-CH2 4.1Å; L215-W262 HydrophobicContact CD2-CE3 4.36Å; L215-W262 HydrophobicContact CD2-CH2 3.66Å; L215-W262 HydrophobicContact CD2-CZ2 4.49Å; L215-W262 HydrophobicContact CD2-CZ3 3.59Å; L215-W262 HydrophobicContact CG-CH2 4.49Å; V259-W262 WeakPolarHBondContact O-CB 3.4Å; V259-W262 PolarHBondContact O-N 2.77Å; V259-W262 VanDerWaalsContact O-N 3.09Å; G260-W262 PolarHBondContact O-N 2.92Å; W262-P264 VanDerWaalsContact C-N 3.35Å; W262-F265 AromaticContact CE3-CD2 4Å; W262-F265 HydrophobicContact CE3-CD2 4Å; W262-F265 AromaticContact CE3-CE2 3.8Å; W262-F265 HydrophobicContact CE3-CE2 3.8Å; W262-F265 HydrophobicContact CZ3-CE2 4.26Å; W262-F265 WeakPolarHBondContact O-CB 3.38Å; W262-F265 WeakPolarHBondContact O-CD2 3.34Å; W262-F265 PolarHBondContact O-N 2.81Å; W262-F265 VanDerWaalsContact O-N 3.16Å
263A98.3Very high97.8Very high4 Ų434.6 Ų34.63%0.03317%0.169CC..G310 helixtrans-56.9-37.4-179.300000114.1I106 L145 G260 F265 F266 L267I106-A263 HydrophobicContact CD1-CB 3.51Å; I106-A263 HydrophobicContact CG1-CB 3.94Å; L145-A263 HydrophobicContact CD1-CB 3.91Å; G260-A263 WeakPolarHBondContact O-CB 3.44Å; G260-A263 PolarHBondContact O-N 3.31Å; A263-F265 PolarHBondContact O-N 2.7Å; A263-F265 VanDerWaalsContact O-N 3.07Å; A263-F266 PolarHBondContact O-N 3.44Å; A263-L267 HydrophobicContact CB-CD1 4.21Å; A263-L267 PolarHBondContact O-N 2.77Å
264P98.2Very high97.9Very high0 Ų031.1 Ų31.10%016%0.162CC..G310 helixtrans-59.8-20.1178.2-25.435.3000115.2L145 R149 V243 L247 L251 C261 W262 F266L145-P264 HydrophobicContact CD1-CG 4.15Å; L145-P264 HydrophobicContact CD2-CB 4.27Å; L145-P264 HydrophobicContact CD2-CG 4.19Å; R149-P264 PolarHBondContact NE-O 2.68Å; R149-P264 PolarHBondContact NH2-O 2.8Å; V243-P264 HydrophobicContact CG1-CB 3.76Å; V243-P264 HydrophobicContact CG2-CB 4.16Å; V243-P264 WeakPolarHBondContact CG2-O 3.45Å; L247-P264 HydrophobicContact CD2-CB 3.88Å; L247-P264 HydrophobicContact CD2-CG 3.75Å; L247-P264 HydrophobicContact CG-CG 4.42Å; L251-P264 HydrophobicContact CD1-CG 3.66Å; C261-P264 WeakPolarHBondContact O-CD 3.29Å; W262-P264 VanDerWaalsContact C-N 3.35Å; P264-F266 VanDerWaalsContact C-N 3.32Å
265F98.5Very high98Very high0 Ų029.2 Ų29.20%016%0.158CC..G310 helixtrans-75-22.6175.5-66.2-86.4000112.7N157 T161 L164 L215 V240 V243 L248 W262 A263N157-F265 HydrophobicContact CB-CB 4.27Å; N157-F265 HydrophobicContact CB-CD1 3.95Å; N157-F265 PolarHBondContact ND2-O 2.87Å; T161-F265 HydrophobicContact CG2-CE1 4.06Å; T161-F265 HydrophobicContact CG2-CZ 4.17Å; T161-F265 WeakPolarHBondContact OG1-CE1 3.44Å; L164-F265 HydrophobicContact CD2-CB 3.67Å; L164-F265 HydrophobicContact CD2-CD1 4.14Å; L164-F265 HydrophobicContact CD2-CG 3.89Å; L215-F265 HydrophobicContact CD2-CE2 4.24Å; L215-F265 HydrophobicContact CD2-CZ 3.99Å; V240-F265 HydrophobicContact CB-CE1 4.3Å; V240-F265 HydrophobicContact CG1-CE1 4.27Å; V243-F265 HydrophobicContact CB-CD1 4.19Å; V243-F265 HydrophobicContact CB-CE1 3.95Å; V243-F265 HydrophobicContact CB-CZ 4.2Å; V243-F265 HydrophobicContact CG1-CZ 4.43Å; V243-F265 HydrophobicContact CG2-CB 4.29Å; V243-F265 HydrophobicContact CG2-CD1 3.44Å; V243-F265 VanDerWaalsContact CG2-CD1 3.44Å; V243-F265 HydrophobicContact CG2-CD2 4.21Å; V243-F265 HydrophobicContact CG2-CE1 3.74Å; V243-F265 HydrophobicContact CG2-CE2 4.46Å; V243-F265 HydrophobicContact CG2-CG 3.71Å; V243-F265 HydrophobicContact CG2-CZ 4.25Å; L248-F265 HydrophobicContact CD1-CE2 4.16Å; L248-F265 HydrophobicContact CD1-CZ 3.8Å; L248-F265 HydrophobicContact CD2-CE2 3.64Å; L248-F265 HydrophobicContact CD2-CZ 4.15Å; W262-F265 AromaticContact CE3-CD2 4Å; W262-F265 HydrophobicContact CE3-CD2 4Å; W262-F265 AromaticContact CE3-CE2 3.8Å; W262-F265 HydrophobicContact CE3-CE2 3.8Å; W262-F265 HydrophobicContact CZ3-CE2 4.26Å; W262-F265 WeakPolarHBondContact O-CB 3.38Å; W262-F265 WeakPolarHBondContact O-CD2 3.34Å; W262-F265 PolarHBondContact O-N 2.81Å; W262-F265 VanDerWaalsContact O-N 3.16Å; A263-F265 PolarHBondContact O-N 2.7Å; A263-F265 VanDerWaalsContact O-N 3.07Å
266F98.7Very high98.1Very high0 Ų030.8 Ų30.80%017%0.166CC..THydrogen-bonded Turntrans-109-37.1-179.9-72.6-94000113F148 R149 I154 L158 L164 V168 L193 C196 F197 L200 A263 P264F148-F266 WeakPolarHBondContact CA-O 3.49Å; F148-F266 HydrophobicContact CD1-CB 4.11Å; F148-F266 HydrophobicContact CE1-CB 4.18Å; R149-F266 PolarHBondContact N-O 2.96Å; I154-F266 HydrophobicContact CD1-CD1 4.47Å; I154-F266 HydrophobicContact CG2-CD1 3.89Å; I154-F266 HydrophobicContact CG2-CE1 3.95Å; L158-F266 HydrophobicContact CD2-CZ 4.45Å; L164-F266 HydrophobicContact CD1-CE2 3.8Å; L164-F266 HydrophobicContact CD1-CZ 4.49Å; L164-F266 HydrophobicContact CD2-CE2 3.98Å; L164-F266 HydrophobicContact CG-CE2 4.34Å; V168-F266 HydrophobicContact CG2-CE2 4.48Å; V168-F266 HydrophobicContact CG2-CZ 3.92Å; L193-F266 HydrophobicContact CD1-CD1 3.99Å; L193-F266 HydrophobicContact CD1-CE1 4.27Å; C196-F266 HydrophobicContact CB-CE1 4.3Å; F197-F266 HydrophobicContact CD2-CB 3.99Å; F197-F266 AromaticContact CD2-CD1 3.9Å; F197-F266 HydrophobicContact CD2-CD1 3.9Å; F197-F266 HydrophobicContact CD2-CD2 4.14Å; F197-F266 HydrophobicContact CD2-CE1 4.43Å; F197-F266 AromaticContact CD2-CG 3.74Å; F197-F266 HydrophobicContact CD2-CG 3.74Å; F197-F266 HydrophobicContact CE2-CB 4.02Å; F197-F266 HydrophobicContact CE2-CD2 4.45Å; F197-F266 HydrophobicContact CE2-CG 4.16Å; L200-F266 HydrophobicContact CD2-CD2 3.99Å; L200-F266 HydrophobicContact CD2-CE2 3.62Å; L200-F266 HydrophobicContact CD2-CZ 4.42Å; A263-F266 PolarHBondContact O-N 3.44Å; P264-F266 VanDerWaalsContact C-N 3.32Å
267L98.6Very high98.1Very high0 Ų026.4 Ų26.40%014%0.137CC..EExtended strand (participates in β ladder)trans-96.5147.2-176.6-55.2-175.5000111.2I106 L145 S147 F148 R149 A263 H269 A285I106-L267 HydrophobicContact CG2-CD1 4.42Å; L145-L267 HydrophobicContact CB-CB 4.17Å; L145-L267 HydrophobicContact CB-CD1 4.2Å; S147-L267 CarbonylContact O-C 3.58Å; S147-L267 VanDerWaalsContact O-CA 3.22Å; S147-L267 WeakPolarHBondContact O-CA 3.39Å; F148-L267 HydrophobicContact CD1-CD2 3.87Å; F148-L267 HydrophobicContact CD2-CD2 4.49Å; F148-L267 HydrophobicContact CE1-CD2 3.95Å; F148-L267 HydrophobicContact CG-CD2 4.16Å; F148-L267 HydrophobicContact CZ-CD2 4.31Å; R149-L267 PolarHBondContact NE-O 3.26Å; A263-L267 HydrophobicContact CB-CD1 4.21Å; A263-L267 PolarHBondContact O-N 2.77Å; L267-H269 PolarHBondContact O-N 3.07Å; L267-A285 HydrophobicContact CD1-CB 4.02Å; L267-A285 HydrophobicContact CD2-CB 3.93Å
268N98.3Very high98.2Very high0 Ų020.4 Ų20.40%012%0.115CC..EExtended strand (participates in β ladder)trans-64.8127.6175.8-64.7-77.9000109.6L145 C146 S147 F148 R149 F270 V327 P329 I332L145-N268 CarbonylContact C-O 3.59Å; L145-N268 WeakPolarHBondContact CA-O 3.4Å; C146-N268 PolarHBondContact N-O 3.26Å; C146-N268 WeakPolarHBondContact O-CB 3.13Å; C146-N268 PolarHBondContact O-ND2 3.21Å; S147-N268 PolarHBondContact O-N 3.49Å; S147-N268 PolarHBondContact O-ND2 3.39Å; F148-N268 VanDerWaalsContact C-ND2 3.3Å; F148-N268 PolarHBondContact O-ND2 2.88Å; R149-N268 WeakPolarHBondContact CA-OD1 3.12Å; R149-N268 HydrophobicContact CG-CB 4.47Å; N268-F270 HydrophobicContact CB-CD1 4Å; N268-F270 HydrophobicContact CB-CE1 4.2Å; N268-V327 PolarHBondContact ND2-O 2.94Å; N268-V327 PolarHBondContact OD1-O 2.62Å; N268-P329 HydrophobicContact CB-CG 4.18Å; N268-I332 HydrophobicContact CB-CD1 4.15Å; N268-I332 WeakPolarHBondContact ND2-CD1 3.49Å
269H98.1Very high98.2Very high47 Ų4721.3 Ų21.322%0.21812%0.118CC..EExtended strand (participates in β ladder)trans-103.3120.8169.9169.5-134.7000108.9E143 L145 L247 L267E143-H269 WeakPolarHBondContact CG-NE2 3.42Å; E143-H269 IonicContact OE1-CD2 3.9Å; E143-H269 IonicContact OE1-CE1 2.68Å; E143-H269 PolarHBondContact OE1-CE1 3.48Å; E143-H269 IonicContact OE1-NE2 3.63Å; E143-H269 PolarHBondContact OE1-NE2 2.83Å; L145-H269 HydrophobicContact CD2-CB 3.68Å; L247-H269 HydrophobicContact CD2-CB 4.43Å; L267-H269 PolarHBondContact O-N 3.07Å
270F97.5Very high98.1Very high21 Ų2120.4 Ų20.49%0.09211%0.112CC..EExtended strand (participates in β ladder)trans-152.5171.8178.761.3-81.4000111.3L144 C146 N268 L272 P329 I332L144-F270 HydrophobicContact CD1-CE2 4.33Å; L144-F270 HydrophobicContact CD1-CZ 3.99Å; L144-F270 HydrophobicContact CD2-CD2 3.84Å; L144-F270 HydrophobicContact CD2-CE1 4.47Å; L144-F270 HydrophobicContact CD2-CE2 3.59Å; L144-F270 HydrophobicContact CD2-CG 4.39Å; L144-F270 HydrophobicContact CD2-CZ 3.94Å; L144-F270 HydrophobicContact CG-CE1 4.26Å; L144-F270 HydrophobicContact CG-CE2 4.14Å; L144-F270 HydrophobicContact CG-CZ 3.94Å; L144-F270 PolarHBondContact N-O 3.23Å; L144-F270 PolarHBondContact O-N 3Å; C146-F270 HydrophobicContact CB-CE1 3.93Å; C146-F270 HydrophobicContact CB-CZ 4.12Å; N268-F270 HydrophobicContact CB-CD1 4Å; N268-F270 HydrophobicContact CB-CE1 4.2Å; F270-L272 HydrophobicContact CD2-CD2 4.38Å; F270-L272 HydrophobicContact CE2-CD2 3.94Å; F270-L272 HydrophobicContact CE2-CG 4.3Å; F270-P329 HydrophobicContact CB-CB 4.14Å; F270-P329 HydrophobicContact CB-CG 4.4Å; F270-P329 HydrophobicContact CD1-CB 3.99Å; F270-P329 HydrophobicContact CD1-CG 4.27Å; F270-P329 HydrophobicContact CD2-CB 4.43Å; F270-P329 HydrophobicContact CG-CB 3.95Å; F270-P329 HydrophobicContact CG-CG 4.49Å; F270-I332 HydrophobicContact CE1-CD1 4.07Å; F270-I332 HydrophobicContact CZ-CB 4.46Å; F270-I332 HydrophobicContact CZ-CD1 4.49Å; F270-I332 HydrophobicContact CZ-CG2 4.27Å
271C98.2Very high97.8Very high51 Ų5121 Ų2135%0.34512%0.118SC..EExtended strand (participates in β ladder)trans-124.4127178.6-172.70000109.7F142F142-C271 PolarHBondContact N-SG 3.32Å; F142-C271 VanDerWaalsContact N-SG 3.45Å; F142-C271 CarbonylContact O-C 3.56Å; F142-C271 WeakPolarHBondContact O-CA 3.35Å
272L98.6Very high97.7Very high0 Ų022.5 Ų22.50%013%0.131CC..EExtended strand (participates in β ladder)trans-80133.5168.5-63.9175.6000109.1A138 P141 F142 L144 F270 E276 V278 K333A138-L272 HydrophobicContact CB-CB 3.72Å; P141-L272 WeakPolarHBondContact CA-O 3.34Å; F142-L272 HydrophobicContact CB-CB 4.33Å; F142-L272 HydrophobicContact CD1-CD1 4.29Å; F142-L272 PolarHBondContact N-O 3.08Å; F142-L272 PolarHBondContact O-N 3.35Å; L144-L272 HydrophobicContact CD2-CD1 4.3Å; L144-L272 HydrophobicContact CD2-CG 4Å; F270-L272 HydrophobicContact CD2-CD2 4.38Å; F270-L272 HydrophobicContact CE2-CD2 3.94Å; F270-L272 HydrophobicContact CE2-CG 4.3Å; L272-E276 WeakPolarHBondContact CA-OE2 3.29Å; L272-E276 HydrophobicContact CB-CB 4.15Å; L272-E276 HydrophobicContact CD2-CB 3.95Å; L272-V278 HydrophobicContact CD1-CB 4.15Å; L272-V278 HydrophobicContact CD1-CG1 3.95Å; L272-K333 HydrophobicContact CD2-CD 4.02Å; L272-K333 HydrophobicContact CD2-CG 3.95Å
273Q98.3Very high97.6Very high103 Ų10323.3 Ų23.348%0.48114%0.135SC..PPolyproline II helixtrans-80.7155.1168.5-61.2-54.6-48.300110.5A138 G275 E276A138-Q273 VanDerWaalsContact CB-O 3.31Å; A138-Q273 WeakPolarHBondContact CB-O 3.43Å; Q273-G275 PolarHBondContact O-N 2.83Å; Q273-E276 HydrophobicContact CB-CG 4.19Å; Q273-E276 PolarHBondContact N-OE2 3.08Å; Q273-E276 VanDerWaalsContact O-CB 3.25Å; Q273-E276 WeakPolarHBondContact O-CB 3.48Å; Q273-E276 PolarHBondContact O-N 2.8Å
274P98Very high97.5Very high76 Ų7624.1 Ų24.149%0.49414%0.138SC..THydrogen-bonded Turntrans-48128.2177.8-2935.3000112.9A138 E276A138-P274 WeakPolarHBondContact O-CA 3.48Å; P274-E276 VanDerWaalsContact C-N 3.32Å; P274-E276 PolarHBondContact O-N 3.3Å
275G97.4Very high97.5Very high18 Ų1824.1 Ų24.119%0.18614%0.138CC..THydrogen-bonded Turntrans85.7-14.3-175.200000115.4A138 Q273 Y347A138-G275 PolarHBondContact O-N 3.05Å; Q273-G275 PolarHBondContact O-N 2.83Å; G275-Y347 WeakPolarHBondContact O-CE1 3.36Å; G275-Y347 PolarHBondContact O-OH 3.11Å
276E98.3Very high97.5Very high64 Ų6424.1 Ų24.130%0.29914%0.138SC..  trans-73.7153.2166.6-61.8-170.112500110.7A138 L272 Q273 P274 K333A138-E276 PolarHBondContact N-O 2.77Å; L272-E276 WeakPolarHBondContact CA-OE2 3.29Å; L272-E276 HydrophobicContact CB-CB 4.15Å; L272-E276 HydrophobicContact CD2-CB 3.95Å; Q273-E276 HydrophobicContact CB-CG 4.19Å; Q273-E276 PolarHBondContact N-OE2 3.08Å; Q273-E276 VanDerWaalsContact O-CB 3.25Å; Q273-E276 WeakPolarHBondContact O-CB 3.48Å; Q273-E276 PolarHBondContact O-N 2.8Å; P274-E276 VanDerWaalsContact C-N 3.32Å; P274-E276 PolarHBondContact O-N 3.3Å; E276-K333 IonicContact OE1-NZ 3.94Å; E276-K333 PolarHBondContact OE1-NZ 2.79Å; E276-K333 IonicContact OE2-NZ 3.82Å; E276-K333 PolarHBondContact OE2-NZ 2.73Å
277A98.6Very high97.5Very high1 Ų124.1 Ų24.11%0.00814%0.138CC..EExtended strand (participates in β ladder)trans-136.9160.4-176.100000112.9A136 I137 K333 L334 Y347A136-A277 CarbonylContact O-C 3.54Å; A136-A277 WeakPolarHBondContact O-CA 3.29Å; A136-A277 WeakPolarHBondContact O-CB 3.37Å; I137-A277 HydrophobicContact CB-CB 4.37Å; I137-A277 HydrophobicContact CG1-CB 3.9Å; I137-A277 HydrophobicContact CG2-CB 4.44Å; A277-K333 CarbonylContact O-C 3.56Å; A277-K333 WeakPolarHBondContact O-CA 3.3Å; A277-L334 HydrophobicContact CB-CB 4.21Å; A277-L334 PolarHBondContact O-N 2.68Å; A277-Y347 HydrophobicContact CB-CD1 3.51Å; A277-Y347 HydrophobicContact CB-CE1 3.62Å
278V98.2Very high97.5Very high0 Ų024.1 Ų24.10%014%0.138CC..EExtended strand (participates in β ladder)trans-133.7142.5171.866.90000109.5M135 A136 L144 L272 L280 I332M135-V278 VanDerWaalsContact CA-O 3.29Å; M135-V278 WeakPolarHBondContact CA-O 3.34Å; M135-V278 WeakPolarHBondContact CG-O 3.44Å; A136-V278 HydrophobicContact CB-CG1 3.98Å; A136-V278 PolarHBondContact N-O 2.79Å; A136-V278 PolarHBondContact O-N 2.88Å; L144-V278 HydrophobicContact CD1-CG1 3.81Å; L272-V278 HydrophobicContact CD1-CB 4.15Å; L272-V278 HydrophobicContact CD1-CG1 3.95Å; V278-L280 HydrophobicContact CG1-CD2 4.32Å; V278-L280 HydrophobicContact CG2-CD2 4.07Å; V278-I332 HydrophobicContact CG2-CG2 3.64Å
279F97.2Very high97.5Very high42 Ų4224.2 Ų24.218%0.18414%0.139CC..EExtended strand (participates in β ladder)trans-106.2128.1169.5172.3-111.7000109.5P133 E134 L334 P349 P350 V351P133-F279 HydrophobicContact CB-CE2 3.86Å; P133-F279 HydrophobicContact CB-CZ 4Å; E134-F279 WeakPolarHBondContact O-CD2 3.26Å; F279-L334 HydrophobicContact CB-CB 4.49Å; F279-P349 HydrophobicContact CB-CB 4.26Å; F279-P349 HydrophobicContact CD2-CB 3.33Å; F279-P349 HydrophobicContact CD2-CG 4.33Å; F279-P349 HydrophobicContact CE2-CB 3.76Å; F279-P349 HydrophobicContact CG-CB 3.83Å; F279-P350 HydrophobicContact CD1-CG 3.98Å; F279-P350 HydrophobicContact CE1-CG 3.62Å; F279-P350 HydrophobicContact CZ-CG 4.19Å; F279-V351 HydrophobicContact CE2-CG1 3.84Å; F279-V351 HydrophobicContact CE2-CG2 4.44Å; F279-V351 HydrophobicContact CZ-CG1 3.6Å
280L95.8Very high97.6Very high0 Ų025.9 Ų25.90%015%0.145CC..EExtended strand (participates in β ladder)trans-10694.4179.9-53.7175.2000107.8E134 C146 V278 H286 Y288E134-L280 HydrophobicContact CB-CB 4.22Å; E134-L280 HydrophobicContact CB-CD1 4.28Å; E134-L280 PolarHBondContact N-O 2.71Å; E134-L280 PolarHBondContact O-N 2.93Å; C146-L280 HydrophobicContact CB-CD2 4.41Å; C146-L280 WeakPolarHBondContact SG-CD2 3.33Å; V278-L280 HydrophobicContact CG1-CD2 4.32Å; V278-L280 HydrophobicContact CG2-CD2 4.07Å; L280-H286 VanDerWaalsContact CD1-CD2 3.5Å; L280-H286 WeakPolarHBondContact CD1-CD2 3.48Å; L280-H286 HydrophobicContact CD2-CB 3.97Å; L280-Y288 HydrophobicContact CD1-CE1 3.79Å; L280-Y288 WeakPolarHBondContact CD1-OH 3.47Å
281G92.9Very high97.6Very high14 Ų1424.9 Ų24.914%0.14414%0.141CC..  trans-69.8170.3175.600000112.2
282A95.3Very high97.6Very high32 Ų3223.2 Ų23.226%0.26413%0.129SC..THydrogen-bonded Turntrans-56.8146.5169.100000110.5H109 N111 E284H109-A282 WeakPolarHBondContact O-CA 3.42Å; N111-A282 HydrophobicContact CB-CB 3.76Å; A282-E284 PolarHBondContact O-N 3.17Å
283N97.3Very high97.6Very high17 Ų1723.2 Ų23.29%0.09113%0.129CC..THydrogen-bonded Turntrans66.115.9171.9-61-1.3000115.3V108 H109 N111 E114 M321 L322 T323V108-N283 VanDerWaalsContact CG2-C 3.47Å; H109-N283 PolarHBondContact O-N 3.49Å; H109-N283 PolarHBondContact O-OD1 3.31Å; N111-N283 PolarHBondContact N-OD1 2.85Å; E114-N283 PolarHBondContact OE2-ND2 2.88Å; E114-N283 PolarHBondContact OE2-OD1 3.05Å; E114-N283 VanDerWaalsContact OE2-OD1 3.09Å; N283-M321 WeakPolarHBondContact CB-O 3.4Å; N283-M321 VanDerWaalsContact CG-O 3.28Å; N283-M321 PolarHBondContact ND2-O 2.83Å; N283-L322 WeakPolarHBondContact O-CA 3.33Å; N283-L322 WeakPolarHBondContact O-CD2 3.47Å; N283-T323 HydrophobicContact CB-CG2 3.82Å; N283-T323 PolarHBondContact O-N 2.81Å; N283-T323 VanDerWaalsContact O-N 3.08Å
284E96.3Very high97.7Very high20 Ų2018.3 Ų18.39%0.09311%0.106CC..  trans-103121.5172.7-67.2-66.5153.800111S147 A282 H286 T323S147-E284 WeakPolarHBondContact CB-OE2 3.45Å; S147-E284 PolarHBondContact OG-OE2 2.98Å; A282-E284 PolarHBondContact O-N 3.17Å; E284-H286 PolarHBondContact O-ND1 2.94Å; E284-T323 WeakPolarHBondContact OE1-CG2 3.48Å; E284-T323 PolarHBondContact OE1-OG1 3.33Å
285A97.7Very high97.7Very high0 Ų015 Ų150%08%0.084CC..  trans-68.9133176.600000110.9Q107 C146 S147 L267 L322Q107-A285 WeakPolarHBondContact O-CA 3.45Å; C146-A285 CarbonylContact C-O 3.59Å; C146-A285 WeakPolarHBondContact CA-O 3.15Å; S147-A285 PolarHBondContact N-O 2.91Å; L267-A285 HydrophobicContact CD1-CB 4.02Å; L267-A285 HydrophobicContact CD2-CB 3.93Å; A285-L322 HydrophobicContact CB-CD2 3.58Å
286H98.4Very high97.8Very high0 Ų014.2 Ų14.20%08%0.075CC..EExtended strand (participates in β ladder)trans-153.9166.8176.162.6-83.1000112.3Q107 H109 E134 L145 C146 L280 E284Q107-H286 VanDerWaalsContact CG-NE2 3.32Å; Q107-H286 WeakPolarHBondContact CG-NE2 3.27Å; Q107-H286 PolarHBondContact N-O 3.32Å; Q107-H286 PolarHBondContact NE2-NE2 2.94Å; Q107-H286 PolarHBondContact O-N 3.12Å; H109-H286 AromaticContact CD2-CE1 3.54Å; H109-H286 AromaticContact NE2-CE1 3.35Å; H109-H286 PolarHBondContact NE2-CE1 2.91Å; H109-H286 AromaticContact NE2-NE2 3.48Å; H109-H286 PolarHBondContact NE2-NE2 3.39Å; E134-H286 IonicContact OE2-NE2 2.7Å; L145-H286 CarbonylContact O-C 3.6Å; L145-H286 WeakPolarHBondContact O-CA 3.37Å; L145-H286 VanDerWaalsContact O-CB 3.24Å; L145-H286 WeakPolarHBondContact O-CB 3.45Å; C146-H286 HydrophobicContact CB-CB 4.23Å; L280-H286 VanDerWaalsContact CD1-CD2 3.5Å; L280-H286 WeakPolarHBondContact CD1-CD2 3.48Å; L280-H286 HydrophobicContact CD2-CB 3.97Å; E284-H286 PolarHBondContact O-ND1 2.94Å
287A98.6Very high97.8Very high0 Ų011.2 Ų11.20%06%0.061CC..EExtended strand (participates in β ladder)trans-159.3132.6167.400000110.3I106 L144 L145 L289I106-A287 HydrophobicContact CD1-CB 3.72Å; L144-A287 CarbonylContact C-O 3.58Å; L144-A287 WeakPolarHBondContact CA-O 3.4Å; L144-A287 WeakPolarHBondContact CB-O 3.38Å; L145-A287 HydrophobicContact CB-CB 4.46Å; L145-A287 PolarHBondContact N-O 3.11Å; L145-A287 PolarHBondContact O-N 3.15Å; A287-L289 HydrophobicContact CB-CD2 4.46Å
288Y98.7Very high97.7Very high1 Ų111.1 Ų11.10%0.0046%0.061CC..EExtended strand (participates in β ladder)trans-78.8135.8169.4-51.4-33.6000110.1L98 A103 L104 A136 F142 L144 L280 E295L98-Y288 HydrophobicContact CD2-CD2 3.77Å; L98-Y288 HydrophobicContact CD2-CE2 3.68Å; A103-Y288 CarbonylContact C-O 3.6Å; A103-Y288 WeakPolarHBondContact CA-O 3.47Å; L104-Y288 HydrophobicContact CD1-CD2 3.55Å; L104-Y288 HydrophobicContact CD1-CE2 4.46Å; L104-Y288 HydrophobicContact CD1-CG 4.12Å; L104-Y288 PolarHBondContact N-O 2.91Å; A136-Y288 HydrophobicContact CB-CE1 4.25Å; F142-Y288 AromaticContact CE1-CD1 3.53Å; F142-Y288 HydrophobicContact CE1-CD1 3.53Å; F142-Y288 HydrophobicContact CE1-CD2 4.45Å; F142-Y288 AromaticContact CE1-CE1 3.91Å; F142-Y288 HydrophobicContact CE1-CE1 3.91Å; F142-Y288 AromaticContact CE1-CG 3.84Å; F142-Y288 HydrophobicContact CE1-CG 3.84Å; F142-Y288 AromaticContact CZ-CD1 3.64Å; F142-Y288 HydrophobicContact CZ-CD1 3.64Å; F142-Y288 AromaticContact CZ-CD2 3.76Å; F142-Y288 HydrophobicContact CZ-CD2 3.76Å; F142-Y288 HydrophobicContact CZ-CE1 4.17Å; F142-Y288 HydrophobicContact CZ-CE2 4.3Å; F142-Y288 AromaticContact CZ-CG 3.42Å; F142-Y288 HydrophobicContact CZ-CG 3.42Å; F142-Y288 VanDerWaalsContact CZ-CG 3.42Å; L144-Y288 HydrophobicContact CB-CD1 4.11Å; L280-Y288 HydrophobicContact CD1-CE1 3.79Å; L280-Y288 WeakPolarHBondContact CD1-OH 3.47Å; Y288-E295 WeakPolarHBondContact CE2-OE1 3.48Å; Y288-E295 PolarHBondContact OH-OE1 2.63Å; Y288-E295 VanDerWaalsContact OH-OE1 3.07Å
289L98.6Very high97.6Very high1 Ų112.6 Ų12.61%0.0057%0.071CC..EExtended strand (participates in β ladder)trans-106.9-43.7-172.6-58.7-175.9000112.3A103 E143 L145 L247 L251 A287A103-L289 HydrophobicContact CB-CD2 3.61Å; E143-L289 HydrophobicContact CB-CB 4.2Å; E143-L289 HydrophobicContact CG-CB 4.03Å; E143-L289 HydrophobicContact CG-CD1 4.02Å; E143-L289 WeakPolarHBondContact O-CB 3.17Å; E143-L289 PolarHBondContact O-N 2.78Å; L145-L289 HydrophobicContact CD1-CD2 4.33Å; L145-L289 HydrophobicContact CD2-CD1 4.05Å; L145-L289 HydrophobicContact CG-CD1 3.92Å; L145-L289 HydrophobicContact CG-CD2 4.16Å; L145-L289 HydrophobicContact CG-CG 4.27Å; L247-L289 HydrophobicContact CD1-CD1 3.82Å; L247-L289 HydrophobicContact CD2-CD1 4.44Å; L251-L289 HydrophobicContact CD2-CD2 4.11Å; A287-L289 HydrophobicContact CB-CD2 4.46Å
290F98.7Very high97.5Very high82 Ų8210.7 Ų10.736%0.366%0.062SC..EExtended strand (participates in β ladder)trans-166.6149.6-175.8-178.6-97.8000112.2F142 E143F142-F290 CarbonylContact C-O 3.5Å; F142-F290 WeakPolarHBondContact CA-O 3.49Å; E143-F290 HydrophobicContact CB-CB 4.23Å; E143-F290 PolarHBondContact N-O 3.14Å; E143-F290 PolarHBondContact O-N 2.73Å
291G98.7Very high97.5Very high0 Ų012.5 Ų12.50%07%0.072CC..EExtended strand (participates in β ladder)trans113-177.1172.200000113.3V100 S140V100-G291 WeakPolarHBondContact CA-O 3.4Å; V100-G291 WeakPolarHBondContact CB-O 3.33Å; V100-G291 PolarHBondContact N-O 2.77Å; V100-G291 PolarHBondContact O-N 3.18Å; S140-G291 WeakPolarHBondContact OG-CA 3.48Å
292D98.8Very high97.7Very high16 Ų1611.8 Ų11.89%0.0867%0.065CC..EExtended strand (participates in β ladder)trans-113.5137.7179.8-51.2-55.7000110.5K15 K21 L98 S99 L139 S140K15-D292 WeakPolarHBondContact CE-OD1 3.46Å; K15-D292 IonicContact NZ-OD1 3.02Å; K15-D292 PolarHBondContact NZ-OD1 3.4Å; K15-D292 IonicContact NZ-OD2 3.67Å; K15-D292 PolarHBondContact NZ-OD2 3.3Å; K21-D292 HydrophobicContact CB-CB 3.82Å; K21-D292 HydrophobicContact CG-CB 4.31Å; L98-D292 VanDerWaalsContact O-CA 3.3Å; L98-D292 WeakPolarHBondContact O-CA 3.32Å; S99-D292 VanDerWaalsContact CA-OD1 3.26Å; S99-D292 WeakPolarHBondContact CA-OD1 3.4Å; S99-D292 VanDerWaalsContact CB-OD1 3.25Å; S99-D292 WeakPolarHBondContact CB-OD1 3.42Å; S99-D292 PolarHBondContact OG-OD1 2.88Å; L139-D292 HydrophobicContact CB-CB 4.17Å; L139-D292 WeakPolarHBondContact CB-O 3.08Å; L139-D292 PolarHBondContact N-O 2.96Å; S140-D292 PolarHBondContact N-O 2.91Å; S140-D292 PolarHBondContact OG-N 2.72Å
293C98.9Very high97.9Very high0 Ų010.8 Ų10.80%06%0.055CC..EExtended strand (participates in β ladder)trans-143.2158.9176.871.80000112.1V97 L98 A136 I137 F142V97-C293 WeakPolarHBondContact CA-O 3.3Å; L98-C293 PolarHBondContact N-O 2.82Å; L98-C293 PolarHBondContact O-N 2.82Å; A136-C293 HydrophobicContact CB-CB 4.45Å; I137-C293 CarbonylContact O-C 3.49Å; I137-C293 VanDerWaalsContact O-CA 3.26Å; I137-C293 WeakPolarHBondContact O-CA 3.35Å; I137-C293 VanDerWaalsContact O-CB 3.29Å; I137-C293 WeakPolarHBondContact O-CB 3.48Å; F142-C293 HydrophobicContact CD1-CB 4.42Å; F142-C293 HydrophobicContact CD2-CB 3.77Å; F142-C293 HydrophobicContact CE1-CB 4.35Å; F142-C293 HydrophobicContact CE2-CB 3.71Å; F142-C293 VanDerWaalsContact CE2-SG 3.51Å; F142-C293 HydrophobicContact CG-CB 4.13Å; F142-C293 HydrophobicContact CZ-CB 3.99Å; F142-C293 WeakPolarHBondContact CZ-SG 3.39Å
294I98.8Very high97.9Very high1 Ų110 Ų101%0.0055%0.051CC..EExtended strand (participates in β ladder)trans-80.1135.1154.3-67.1-61.8000107.5F95 K96 V97 A136 I137 L139 L379 V381 F421F95-I294 HydrophobicContact CD2-CG2 4.15Å; F95-I294 HydrophobicContact CE2-CG2 3.18Å; F95-I294 HydrophobicContact CZ-CD1 4.12Å; F95-I294 HydrophobicContact CZ-CG2 3.66Å; K96-I294 WeakPolarHBondContact O-CA 3.24Å; V97-I294 HydrophobicContact CG2-CD1 3.96Å; A136-I294 CarbonylContact C-O 3.59Å; A136-I294 VanDerWaalsContact CA-O 3.29Å; A136-I294 WeakPolarHBondContact CA-O 3.45Å; I137-I294 HydrophobicContact CB-CB 4.23Å; I137-I294 HydrophobicContact CD1-CG2 4.38Å; I137-I294 PolarHBondContact N-O 2.78Å; I137-I294 PolarHBondContact O-N 2.85Å; L139-I294 HydrophobicContact CD1-CD1 4.04Å; L139-I294 HydrophobicContact CD1-CG1 4.02Å; L139-I294 HydrophobicContact CD2-CG1 3.92Å; L139-I294 HydrophobicContact CG-CG1 4.03Å; I294-L379 HydrophobicContact CD1-CD2 3.76Å; I294-V381 HydrophobicContact CD1-CG1 4.34Å; I294-F421 HydrophobicContact CD1-CD2 4.31Å; I294-F421 HydrophobicContact CD1-CG 4.4Å; I294-F421 HydrophobicContact CG1-CD1 4.08Å; I294-F421 HydrophobicContact CG1-CD2 4.03Å; I294-F421 HydrophobicContact CG1-CE1 4.04Å; I294-F421 HydrophobicContact CG1-CE2 4Å; I294-F421 HydrophobicContact CG1-CG 4.06Å; I294-F421 HydrophobicContact CG1-CZ 3.99Å; I294-F421 HydrophobicContact CG2-CD1 4.44Å
295E98.8Very high98Very high6 Ų611.2 Ų11.23%0.0286%0.055CC..EExtended strand (participates in β ladder)trans-119.6137.3168.9178.9176.4-96.700109.5K96 L98 M135 Y288K96-E295 HydrophobicContact CB-CB 4.29Å; K96-E295 WeakPolarHBondContact CD-OE2 3.23Å; K96-E295 PolarHBondContact N-O 2.83Å; K96-E295 IonicContact NZ-OE2 3.01Å; K96-E295 PolarHBondContact NZ-OE2 2.91Å; K96-E295 PolarHBondContact O-N 3.37Å; L98-E295 HydrophobicContact CD1-CB 3.6Å; L98-E295 HydrophobicContact CD1-CG 4.41Å; M135-E295 CarbonylContact O-C 3.5Å; M135-E295 VanDerWaalsContact O-CA 3.29Å; M135-E295 WeakPolarHBondContact O-CA 3.35Å; Y288-E295 WeakPolarHBondContact CE2-OE1 3.48Å; Y288-E295 PolarHBondContact OH-OE1 2.63Å; Y288-E295 VanDerWaalsContact OH-OE1 3.07Å
296C98.7Very high98Very high1 Ų111.2 Ų11.21%0.0076%0.055CC..EExtended strand (participates in β ladder)trans-129.5132.7165-158.70000109.1L94 F95 E134 M135 F354 V356 S423L94-C296 WeakPolarHBondContact O-CA 3.4Å; F95-C296 HydrophobicContact CD2-CB 4.05Å; E134-C296 CarbonylContact C-O 3.49Å; E134-C296 WeakPolarHBondContact CA-O 3.32Å; M135-C296 PolarHBondContact N-O 3.5Å; M135-C296 PolarHBondContact O-N 3.39Å; C296-F354 HydrophobicContact CB-CD2 3.78Å; C296-F354 HydrophobicContact CB-CE2 4Å; C296-F354 HydrophobicContact CB-CG 4.24Å; C296-F354 WeakPolarHBondContact O-CE2 3.41Å; C296-F354 WeakPolarHBondContact O-CZ 3.29Å; C296-V356 HydrophobicContact CB-CG2 3.74Å; C296-S423 PolarHBondContact SG-OG 3.46Å
297M98.3Very high97.9Very high1 Ų111.2 Ų11.21%0.0056%0.055CC..EExtended strand (participates in β ladder)trans-141.3156-173.152.9173.3-79.500110.2F93 L94 K96 K132 P133 E134 S300F93-M297 CarbonylContact C-O 3.59Å; F93-M297 WeakPolarHBondContact CA-O 3.43Å; L94-M297 HydrophobicContact CB-CG 4.07Å; L94-M297 HydrophobicContact CD2-SD 4.36Å; L94-M297 PolarHBondContact N-O 2.81Å; L94-M297 PolarHBondContact O-N 2.85Å; L94-M297 VanDerWaalsContact O-N 3.08Å; K96-M297 PolarHBondContact NZ-SD 2.83Å; K96-M297 VanDerWaalsContact NZ-SD 3.45Å; K132-M297 HydrophobicContact CD-CE 3.9Å; K132-M297 HydrophobicContact CG-CE 3.88Å; P133-M297 VanDerWaalsContact O-CA 3.28Å; P133-M297 WeakPolarHBondContact O-CA 3.48Å; E134-M297 HydrophobicContact CB-CB 4.13Å; E134-M297 HydrophobicContact CG-CB 3.79Å; M297-S300 WeakPolarHBondContact CE-O 3.29Å
298A97.6Very high97.9Very high0 Ų011.3 Ų11.30%06%0.056CC..EExtended strand (participates in β ladder)trans-62.8151.2164.400000110.4P92 P133 S300 E353P92-A298 WeakPolarHBondContact O-CA 3.49Å; P133-A298 HydrophobicContact CG-CB 3.88Å; P133-A298 PolarHBondContact O-N 2.87Å; A298-S300 PolarHBondContact O-N 2.93Å; A298-E353 HydrophobicContact CB-CB 4.28Å; A298-E353 HydrophobicContact CB-CG 3.91Å
299C95.8Very high97.8Very high31 Ų3111.8 Ų11.821%0.2096%0.059CC..SBendtrans-69.497.8175.5-71.10000111L91 P92 N130L91-C299 PolarHBondContact O-SG 3.36Å; P92-C299 PolarHBondContact O-N 3.26Å; N130-C299 PolarHBondContact ND2-O 3.19Å
300S96.1Very high97.6Very high1 Ų116.8 Ų16.81%0.0079%0.091CC..  trans-158.9149.71731780000110.5D128 N130 H131 K132 M297 A298 N302D128-S300 VanDerWaalsContact CG-OG 3.3Å; D128-S300 VanDerWaalsContact OD1-CB 3.3Å; D128-S300 WeakPolarHBondContact OD1-CB 3.4Å; D128-S300 PolarHBondContact OD1-OG 3.24Å; D128-S300 WeakPolarHBondContact OD2-CA 3.17Å; D128-S300 PolarHBondContact OD2-OG 2.87Å; N130-S300 PolarHBondContact O-OG 2.85Å; H131-S300 VanDerWaalsContact O-CB 3.31Å; H131-S300 WeakPolarHBondContact O-CB 3.38Å; K132-S300 VanDerWaalsContact CD-O 3.26Å; K132-S300 WeakPolarHBondContact CD-O 3.47Å; K132-S300 WeakPolarHBondContact CE-O 3.4Å; K132-S300 PolarHBondContact NZ-O 2.87Å; M297-S300 WeakPolarHBondContact CE-O 3.29Å; A298-S300 PolarHBondContact O-N 2.93Å; S300-N302 WeakPolarHBondContact OG-CB 3.3Å; S300-N302 PolarHBondContact OG-N 2.82Å; S300-N302 VanDerWaalsContact OG-N 3.16Å
301D95.4Very high97.4Very high38 Ų3818.3 Ų18.320%0.20310%0.098CC..  trans-107.94.9174.4-82.2-39.5000112.5H49 K51 P127 D128 T303H49-D301 IonicContact CE1-OD1 3.36Å; H49-D301 IonicContact CE1-OD2 2.94Å; H49-D301 PolarHBondContact CE1-OD2 3.48Å; H49-D301 IonicContact NE2-OD1 2.76Å; H49-D301 IonicContact NE2-OD2 3.47Å; K51-D301 WeakPolarHBondContact CD-OD2 2.98Å; K51-D301 VanDerWaalsContact CE-OD2 3.25Å; K51-D301 WeakPolarHBondContact CE-OD2 3.24Å; K51-D301 IonicContact NZ-OD1 2.87Å; K51-D301 IonicContact NZ-OD2 3.44Å; K51-D301 PolarHBondContact NZ-OD2 3.25Å; P127-D301 HydrophobicContact CG-CB 3.48Å; P127-D301 VanDerWaalsContact CG-CB 3.48Å; D128-D301 PolarHBondContact OD2-N 3.32Å; D301-T303 PolarHBondContact O-N 3.47Å
302N97.5Very high97.3Very high0 Ų022.6 Ų22.60%012%0.117CC..  trans-66.1119.2178.6-74-29.6000111.7H109 P110 Y126 P127 D128 N130 K132 S300H109-N302 PolarHBondContact ND1-O 3.47Å; P110-N302 HydrophobicContact CG-CB 3.96Å; Y126-N302 WeakPolarHBondContact CA-OD1 3.41Å; Y126-N302 WeakPolarHBondContact CB-OD1 3.27Å; P127-N302 WeakPolarHBondContact CD-OD1 3.47Å; D128-N302 PolarHBondContact O-ND2 2.84Å; D128-N302 PolarHBondContact O-OD1 2.86Å; D128-N302 PolarHBondContact OD1-ND2 3.38Å; N130-N302 PolarHBondContact O-ND2 2.88Å; K132-N302 WeakPolarHBondContact CD-O 3.34Å; S300-N302 WeakPolarHBondContact OG-CB 3.3Å; S300-N302 PolarHBondContact OG-N 2.82Å; S300-N302 VanDerWaalsContact OG-N 3.16Å
303T97.5Very high97.3Very high10 Ų1025.2 Ų25.26%0.06113%0.127CC..  trans-147.3116.3178.2-54.50000109.9Q107 D301 R305Q107-T303 HydrophobicContact CB-CG2 3.66Å; Q107-T303 HydrophobicContact CG-CG2 4.33Å; D301-T303 PolarHBondContact O-N 3.47Å; T303-R305 HydrophobicContact CG2-CG 3.92Å
304V98.3Very high97.2Very high1 Ų126.4 Ų26.41%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-97.4123.4177.2-171.40000107Q107 V108 L118 Y126 D314 N317 L318 M321Q107-V304 CarbonylContact C-O 3.42Å; Q107-V304 VanDerWaalsContact CA-O 3.24Å; Q107-V304 WeakPolarHBondContact CA-O 3.47Å; V108-V304 HydrophobicContact CG1-CB 3.73Å; V108-V304 HydrophobicContact CG1-CG1 4.27Å; V108-V304 HydrophobicContact CG1-CG2 4.4Å; V108-V304 PolarHBondContact N-O 3.36Å; V108-V304 PolarHBondContact O-N 3.01Å; L118-V304 HydrophobicContact CD1-CG2 4.39Å; Y126-V304 HydrophobicContact CE1-CG2 3.64Å; V304-D314 HydrophobicContact CG1-CB 4.13Å; V304-D314 WeakPolarHBondContact CG1-O 3.33Å; V304-N317 HydrophobicContact CG1-CB 4.31Å; V304-L318 HydrophobicContact CG1-CB 3.74Å; V304-L318 HydrophobicContact CG1-CD1 4.43Å; V304-M321 HydrophobicContact CB-CE 4.14Å; V304-M321 HydrophobicContact CB-SD 4.32Å; V304-M321 HydrophobicContact CG1-CE 4.04Å; V304-M321 HydrophobicContact CG2-CE 3.44Å; V304-M321 VanDerWaalsContact CG2-CE 3.44Å; V304-M321 HydrophobicContact CG2-SD 3.87Å
305R98.5Very high97.2Very high45 Ų4527.7 Ų27.717%0.1714%0.142CC..EExtended strand (participates in β ladder)trans-115.9150.1-172.1-55.8-178.3-175.283.47.4112.2S105 I106 T303 T309 K313 D314S105-R305 WeakPolarHBondContact OG-CD 3.4Å; S105-R305 PolarHBondContact OG-NE 3.09Å; I106-R305 VanDerWaalsContact O-CA 3.3Å; I106-R305 WeakPolarHBondContact O-CA 3.28Å; T303-R305 HydrophobicContact CG2-CG 3.92Å; R305-T309 HydrophobicContact CB-CG2 4.06Å; R305-K313 HydrophobicContact CB-CG 4.35Å; R305-K313 CarbonylContact O-C 3.58Å; R305-K313 VanDerWaalsContact O-CA 3.28Å; R305-K313 WeakPolarHBondContact O-CA 3.44Å; R305-D314 PolarHBondContact O-N 2.87Å; R305-D314 VanDerWaalsContact O-N 3.1Å
306A96.7Very high97.1Very high0 Ų035.1 Ų35.10%018%0.176CC..EExtended strand (participates in β ladder)trans-128.9-12.3175.700000115.6I106 L201 V259 V315 L318I106-A306 PolarHBondContact O-N 2.91Å; L201-A306 HydrophobicContact CD1-CB 3.72Å; L201-A306 HydrophobicContact CD2-CB 4.18Å; V259-A306 WeakPolarHBondContact CG1-O 3.32Å; A306-V315 HydrophobicContact CB-CG2 4.45Å; A306-L318 HydrophobicContact CB-CD1 3.43Å; A306-L318 VanDerWaalsContact CB-CD1 3.43Å; A306-L318 HydrophobicContact CB-CD2 3.82Å; A306-L318 HydrophobicContact CB-CG 4.16Å
307G97.4Very high97Very high0 Ų036.1 Ų36.10%018%0.182CC..EExtended strand (participates in β ladder)trans-178.2178.5-177.400000112.3S105 I106 D258 T309S105-G307 CarbonylContact C-O 3.57Å; S105-G307 VanDerWaalsContact CA-O 3.3Å; S105-G307 WeakPolarHBondContact CA-O 3.12Å; I106-G307 PolarHBondContact N-O 3.04Å; D258-G307 WeakPolarHBondContact OD1-CA 3.49Å; G307-T309 PolarHBondContact O-N 3.45Å
308L97.8Very high97Very high2 Ų236.1 Ų36.11%0.0118%0.181CC..SBendtrans53.641-174.8-52-179.2000111.7A103 S105 I106 L251 F255 D258 G260A103-L308 HydrophobicContact CB-CD1 4.08Å; S105-L308 WeakPolarHBondContact CA-O 3.49Å; I106-L308 HydrophobicContact CD1-CD1 3.69Å; I106-L308 HydrophobicContact CD1-CG 4.27Å; I106-L308 HydrophobicContact CG1-CD1 4.04Å; I106-L308 HydrophobicContact CG1-CG 4.05Å; L251-L308 HydrophobicContact CD2-CD1 4.05Å; L251-L308 HydrophobicContact CD2-CD2 4.46Å; F255-L308 HydrophobicContact CB-CD2 4.1Å; F255-L308 HydrophobicContact CD2-CB 3.97Å; F255-L308 HydrophobicContact CD2-CD2 3.78Å; F255-L308 HydrophobicContact CD2-CG 4.43Å; F255-L308 VanDerWaalsContact CE1-O 3.27Å; F255-L308 WeakPolarHBondContact CE1-O 3.15Å; F255-L308 HydrophobicContact CE2-CB 3.97Å; F255-L308 HydrophobicContact CG-CB 4.3Å; F255-L308 HydrophobicContact CG-CD2 4.1Å; F255-L308 HydrophobicContact CZ-CB 4.29Å; F255-L308 VanDerWaalsContact CZ-O 3.27Å; F255-L308 WeakPolarHBondContact CZ-O 3.45Å; D258-L308 PolarHBondContact OD1-N 2.83Å; G260-L308 VanDerWaalsContact C-CD2 3.5Å
309T97Very high97Very high12 Ų1236.5 Ų36.57%0.07418%0.184CC..  trans-161.8143.2-177.2-163.20000113.7R305 G307 K311 K313R305-T309 HydrophobicContact CB-CG2 4.06Å; G307-T309 PolarHBondContact O-N 3.45Å; T309-K311 VanDerWaalsContact C-N 3.32Å; T309-K311 HydrophobicContact CG2-CB 4.45Å; T309-K311 WeakPolarHBondContact OG1-CB 3.28Å; T309-K311 PolarHBondContact OG1-N 2.88Å; T309-K311 VanDerWaalsContact OG1-N 3.15Å; T309-K313 HydrophobicContact CG2-CD 4.08Å; T309-K313 HydrophobicContact CG2-CG 3.83Å; T309-K313 PolarHBondContact O-NZ 3.17Å
310P94.1Very high97Very high106 Ų10640.6 Ų40.669%0.68820%0.195SC*.SBendtrans-83.3-9.1165.235.1-35.6000112.8
311K95.2Very high97.1Very high114 Ų11440.9 Ų40.950%0.49620%0.196SC..SBendtrans-71.5170.7-178.3-61.8-178.7-180179.70111.1T309 K313T309-K311 VanDerWaalsContact C-N 3.32Å; T309-K311 HydrophobicContact CG2-CB 4.45Å; T309-K311 WeakPolarHBondContact OG1-CB 3.28Å; T309-K311 PolarHBondContact OG1-N 2.88Å; T309-K311 VanDerWaalsContact OG1-N 3.15Å; K311-K313 PolarHBondContact O-N 3.04Å
312F97Very high97.2Very high90 Ų9039.5 Ų39.540%0.39519%0.189SC..  trans-50.8130173.6174.9-111.1000111.6N125 D314N125-F312 HydrophobicContact CB-CD1 3.79Å; N125-F312 HydrophobicContact CB-CE1 3.76Å; N125-F312 WeakPolarHBondContact OD1-CD1 3.4Å; F312-D314 HydrophobicContact CE1-CB 3.73Å; F312-D314 HydrophobicContact CZ-CB 3.85Å
313K97.7Very high97.2Very high71 Ų7141.7 Ų41.731%0.30920%0.202SC..  trans-117.4121.7178.6-71175.7-71-148.70108.5D258 R305 T309 K311D258-K313 IonicContact OD2-NZ 2.75Å; R305-K313 HydrophobicContact CB-CG 4.35Å; R305-K313 CarbonylContact O-C 3.58Å; R305-K313 VanDerWaalsContact O-CA 3.28Å; R305-K313 WeakPolarHBondContact O-CA 3.44Å; T309-K313 HydrophobicContact CG2-CD 4.08Å; T309-K313 HydrophobicContact CG2-CG 3.83Å; T309-K313 PolarHBondContact O-NZ 3.17Å; K311-K313 PolarHBondContact O-N 3.04Å
314D98Very high97.2Very high24 Ų2441.6 Ų41.613%0.12820%0.201CC..  trans-113.875.3174.9-171.3-17.5000108.9Y126 V304 R305 F312 Q316 N317 L318Y126-D314 WeakPolarHBondContact OH-CB 3.3Å; Y126-D314 PolarHBondContact OH-OD2 2.75Å; Y126-D314 VanDerWaalsContact OH-OD2 3.06Å; V304-D314 HydrophobicContact CG1-CB 4.13Å; V304-D314 WeakPolarHBondContact CG1-O 3.33Å; R305-D314 PolarHBondContact O-N 2.87Å; R305-D314 VanDerWaalsContact O-N 3.1Å; F312-D314 HydrophobicContact CE1-CB 3.73Å; F312-D314 HydrophobicContact CZ-CB 3.85Å; D314-Q316 PolarHBondContact O-N 2.98Å; D314-N317 PolarHBondContact O-N 3.26Å; D314-N317 WeakPolarHBondContact OD1-CB 3.45Å; D314-N317 PolarHBondContact OD1-N 2.53Å; D314-N317 PolarHBondContact OD2-ND2 3.01Å; D314-L318 WeakPolarHBondContact O-CB 3.45Å; D314-L318 PolarHBondContact O-N 3.17Å
315V97.5Very high97Very high29 Ų2946.4 Ų46.418%0.17622%0.219CC..Hα-helixtrans-61-35.6-176.5175.70000111.1L201 T202 A306 L318 C319L201-V315 HydrophobicContact CB-CG1 3.56Å; L201-V315 HydrophobicContact CD1-CG1 4.44Å; T202-V315 HydrophobicContact CG2-CG1 4.06Å; A306-V315 HydrophobicContact CB-CG2 4.45Å; V315-L318 PolarHBondContact O-N 2.8Å; V315-C319 WeakPolarHBondContact O-CB 3.48Å; V315-C319 PolarHBondContact O-N 3.25Å; V315-C319 PolarHBondContact O-SG 2.89Å; V315-C319 VanDerWaalsContact O-SG 3.41Å
316Q96.8Very high96.9Very high162 Ų16246.8 Ų46.876%0.75723%0.227SC*.Hα-helixtrans-65.5-50.6-178.5-173.8-178.56.600111.2D314 L318 R320D314-Q316 PolarHBondContact O-N 2.98Å; Q316-L318 VanDerWaalsContact C-N 3.33Å; Q316-R320 WeakPolarHBondContact O-CB 3.49Å; Q316-R320 PolarHBondContact O-N 2.74Å; Q316-R320 VanDerWaalsContact O-N 3.11Å
317N97.3Very high96.9Very high22 Ų2247.3 Ų47.312%0.11823%0.229CC..Hα-helixtrans-65.8-38.3176.8-85.1-50.4000111.6L118 V304 D314 R320 M321L118-N317 HydrophobicContact CD2-CB 4.46Å; V304-N317 HydrophobicContact CG1-CB 4.31Å; D314-N317 PolarHBondContact O-N 3.26Å; D314-N317 WeakPolarHBondContact OD1-CB 3.45Å; D314-N317 PolarHBondContact OD1-N 2.53Å; D314-N317 PolarHBondContact OD2-ND2 3.01Å; N317-R320 PolarHBondContact O-N 3.34Å; N317-M321 HydrophobicContact CB-CE 3.85Å; N317-M321 VanDerWaalsContact O-CE 3.24Å; N317-M321 WeakPolarHBondContact O-CE 3.46Å; N317-M321 WeakPolarHBondContact O-CG 3.35Å; N317-M321 PolarHBondContact O-N 3.34Å
318L97.7Very high96.9Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-57-54.6177.3-173.8139.1000111.3V108 F197 L201 V304 A306 D314 V315 Q316 R320 M321 L322V108-L318 HydrophobicContact CG1-CB 4.35Å; V108-L318 HydrophobicContact CG1-CD1 3.85Å; V108-L318 HydrophobicContact CG1-CG 3.79Å; F197-L318 HydrophobicContact CE1-CD2 4.09Å; L201-L318 HydrophobicContact CD1-CD2 3.73Å; V304-L318 HydrophobicContact CG1-CB 3.74Å; V304-L318 HydrophobicContact CG1-CD1 4.43Å; A306-L318 HydrophobicContact CB-CD1 3.43Å; A306-L318 VanDerWaalsContact CB-CD1 3.43Å; A306-L318 HydrophobicContact CB-CD2 3.82Å; A306-L318 HydrophobicContact CB-CG 4.16Å; D314-L318 WeakPolarHBondContact O-CB 3.45Å; D314-L318 PolarHBondContact O-N 3.17Å; V315-L318 PolarHBondContact O-N 2.8Å; Q316-L318 VanDerWaalsContact C-N 3.33Å; L318-R320 PolarHBondContact O-N 3.27Å; L318-M321 WeakPolarHBondContact O-CG 3.25Å; L318-M321 PolarHBondContact O-N 3.3Å; L318-L322 HydrophobicContact CD2-CD1 3.65Å; L318-L322 HydrophobicContact CD2-CG 4.45Å; L318-L322 HydrophobicContact CG-CD1 4.35Å; L318-L322 VanDerWaalsContact O-CG 3.28Å; L318-L322 WeakPolarHBondContact O-CG 3.44Å; L318-L322 PolarHBondContact O-N 3.21Å
319C97.3Very high96.7Very high8 Ų850.7 Ų50.75%0.05425%0.252CS..Hα-helixtrans-65.1-25.7179-68.20000113.1S198 V315 Y324S198-C319 WeakPolarHBondContact OG-CB 3.26Å; V315-C319 WeakPolarHBondContact O-CB 3.48Å; V315-C319 PolarHBondContact O-N 3.25Å; V315-C319 PolarHBondContact O-SG 2.89Å; V315-C319 VanDerWaalsContact O-SG 3.41Å; C319-Y324 WeakPolarHBondContact CA-OH 3.36Å; C319-Y324 WeakPolarHBondContact O-CE2 3.31Å; C319-Y324 PolarHBondContact O-OH 2.71Å
320R97Very high96.7Very high117 Ų11758.6 Ų58.644%0.44229%0.286SS..Hα-helixtrans-71.7-43.2176.2-173.2-172.162.467.11.4111.9E114 Q316 N317 L318E114-R320 IonicContact OE1-CZ 3.54Å; E114-R320 IonicContact OE1-NH1 2.85Å; E114-R320 PolarHBondContact OE1-NH1 2.84Å; E114-R320 IonicContact OE1-NH2 2.62Å; E114-R320 PolarHBondContact OE1-NH2 3.34Å; Q316-R320 WeakPolarHBondContact O-CB 3.49Å; Q316-R320 PolarHBondContact O-N 2.74Å; Q316-R320 VanDerWaalsContact O-N 3.11Å; N317-R320 PolarHBondContact O-N 3.34Å; L318-R320 PolarHBondContact O-N 3.27Å
321M96.6Very high96.7Very high7 Ų759.1 Ų59.13%0.03428%0.279CS..Hα-helixtrans-84.1-27.1-168.466.7-177.668.700114.3V108 L118 N283 V304 N317 L318 T323V108-M321 HydrophobicContact CB-SD 4.32Å; V108-M321 HydrophobicContact CG1-CG 3.91Å; V108-M321 HydrophobicContact CG1-SD 3.37Å; V108-M321 WeakPolarHBondContact CG1-SD 3.4Å; V108-M321 HydrophobicContact CG2-CG 4.18Å; V108-M321 HydrophobicContact CG2-SD 3.97Å; L118-M321 HydrophobicContact CD1-CE 4.17Å; N283-M321 WeakPolarHBondContact CB-O 3.4Å; N283-M321 VanDerWaalsContact CG-O 3.28Å; N283-M321 PolarHBondContact ND2-O 2.83Å; V304-M321 HydrophobicContact CB-CE 4.14Å; V304-M321 HydrophobicContact CB-SD 4.32Å; V304-M321 HydrophobicContact CG1-CE 4.04Å; V304-M321 HydrophobicContact CG2-CE 3.44Å; V304-M321 VanDerWaalsContact CG2-CE 3.44Å; V304-M321 HydrophobicContact CG2-SD 3.87Å; N317-M321 HydrophobicContact CB-CE 3.85Å; N317-M321 VanDerWaalsContact O-CE 3.24Å; N317-M321 WeakPolarHBondContact O-CE 3.46Å; N317-M321 WeakPolarHBondContact O-CG 3.35Å; N317-M321 PolarHBondContact O-N 3.34Å; L318-M321 WeakPolarHBondContact O-CG 3.25Å; L318-M321 PolarHBondContact O-N 3.3Å; M321-T323 PolarHBondContact O-N 3.32Å
322L97.9Very high96.7Very high9 Ų954.3 Ų54.35%0.04726%0.259CS..  trans-54139.1-174-74.4169000113V108 F148 F197 N283 A285 L318 Y324V108-L322 HydrophobicContact CB-CD2 4.21Å; V108-L322 HydrophobicContact CG2-CD2 3.94Å; F148-L322 HydrophobicContact CE2-CB 4.46Å; F148-L322 HydrophobicContact CE2-CD1 4.2Å; F148-L322 HydrophobicContact CZ-CD1 4.03Å; F197-L322 HydrophobicContact CD1-CD1 4.09Å; F197-L322 HydrophobicContact CE1-CD1 3.78Å; N283-L322 WeakPolarHBondContact O-CA 3.33Å; N283-L322 WeakPolarHBondContact O-CD2 3.47Å; A285-L322 HydrophobicContact CB-CD2 3.58Å; L318-L322 HydrophobicContact CD2-CD1 3.65Å; L318-L322 HydrophobicContact CD2-CG 4.45Å; L318-L322 HydrophobicContact CG-CD1 4.35Å; L318-L322 VanDerWaalsContact O-CG 3.28Å; L318-L322 WeakPolarHBondContact O-CG 3.44Å; L318-L322 PolarHBondContact O-N 3.21Å; L322-Y324 HydrophobicContact CB-CD2 4.07Å; L322-Y324 HydrophobicContact CB-CE1 4.28Å; L322-Y324 HydrophobicContact CB-CE2 3.7Å; L322-Y324 HydrophobicContact CD1-CE1 4.34Å; L322-Y324 WeakPolarHBondContact O-CD2 3.46Å; L322-Y324 WeakPolarHBondContact O-CE2 3.31Å; L322-Y324 PolarHBondContact O-N 2.81Å
323T97.1Very high96.7Very high46 Ų4652.7 Ų52.728%0.28225%0.252SS..  trans-69.6-21178.165.20000113.1K190 N283 E284 M321 R325K190-T323 WeakPolarHBondContact CD-O 3.24Å; K190-T323 VanDerWaalsContact CE-O 3.24Å; K190-T323 WeakPolarHBondContact CE-O 3.31Å; N283-T323 HydrophobicContact CB-CG2 3.82Å; N283-T323 PolarHBondContact O-N 2.81Å; N283-T323 VanDerWaalsContact O-N 3.08Å; E284-T323 WeakPolarHBondContact OE1-CG2 3.48Å; E284-T323 PolarHBondContact OE1-OG1 3.33Å; M321-T323 PolarHBondContact O-N 3.32Å; T323-R325 PolarHBondContact O-N 2.86Å; T323-R325 VanDerWaalsContact O-N 3.08Å; T323-R325 WeakPolarHBondContact OG1-CB 3.26Å; T323-R325 PolarHBondContact OG1-N 3.06Å
324Y97.7Very high96.6Very high9 Ų950.8 Ų50.84%0.03524%0.244CC..  trans51.426.1-170.4-64.5-76.8000113.4F148 L193 K194 F197 C319 L322 T326F148-Y324 HydrophobicContact CD2-CD1 4.24Å; F148-Y324 HydrophobicContact CE1-CD1 4.36Å; F148-Y324 HydrophobicContact CE1-CE1 4.46Å; F148-Y324 AromaticContact CE2-CD1 3.53Å; F148-Y324 HydrophobicContact CE2-CD1 3.53Å; F148-Y324 AromaticContact CE2-CE1 3.93Å; F148-Y324 HydrophobicContact CE2-CE1 3.93Å; F148-Y324 HydrophobicContact CE2-CG 4.27Å; F148-Y324 AromaticContact CZ-CD1 3.61Å; F148-Y324 HydrophobicContact CZ-CD1 3.61Å; F148-Y324 AromaticContact CZ-CE1 3.62Å; F148-Y324 HydrophobicContact CZ-CE1 3.62Å; L193-Y324 HydrophobicContact CD2-CD1 4.23Å; L193-Y324 HydrophobicContact CG-CD1 4.01Å; K194-Y324 HydrophobicContact CB-CD1 4.12Å; K194-Y324 HydrophobicContact CB-CD2 3.9Å; K194-Y324 HydrophobicContact CB-CE1 3.78Å; K194-Y324 HydrophobicContact CB-CE2 3.54Å; K194-Y324 HydrophobicContact CB-CG 4.17Å; K194-Y324 VanDerWaalsContact CB-CZ 3.46Å; K194-Y324 HydrophobicContact CD-CD2 4.37Å; K194-Y324 HydrophobicContact CD-CE2 3.71Å; K194-Y324 HydrophobicContact CG-CD2 4.39Å; K194-Y324 HydrophobicContact CG-CE1 4.32Å; K194-Y324 HydrophobicContact CG-CE2 3.6Å; K194-Y324 WeakPolarHBondContact CG-OH 3.28Å; F197-Y324 HydrophobicContact CB-CE1 4.3Å; F197-Y324 HydrophobicContact CD1-CE1 4.3Å; C319-Y324 WeakPolarHBondContact CA-OH 3.36Å; C319-Y324 WeakPolarHBondContact O-CE2 3.31Å; C319-Y324 PolarHBondContact O-OH 2.71Å; L322-Y324 HydrophobicContact CB-CD2 4.07Å; L322-Y324 HydrophobicContact CB-CE1 4.28Å; L322-Y324 HydrophobicContact CB-CE2 3.7Å; L322-Y324 HydrophobicContact CD1-CE1 4.34Å; L322-Y324 WeakPolarHBondContact O-CD2 3.46Å; L322-Y324 WeakPolarHBondContact O-CE2 3.31Å; L322-Y324 PolarHBondContact O-N 2.81Å; Y324-T326 PolarHBondContact O-N 3.48Å
325R95.2Very high96.6Very high101 Ų10156.5 Ų56.538%0.38127%0.274SS..  trans-67.4121.4175.6177.7177.2174.5-134.4-1.8109.2F148 T323 V327F148-R325 WeakPolarHBondContact CB-O 3.29Å; F148-R325 PolarHBondContact N-O 3.31Å; T323-R325 PolarHBondContact O-N 2.86Å; T323-R325 VanDerWaalsContact O-N 3.08Å; T323-R325 WeakPolarHBondContact OG1-CB 3.26Å; T323-R325 PolarHBondContact OG1-N 3.06Å; R325-V327 HydrophobicContact CG-CG1 3.79Å; R325-V327 HydrophobicContact CG-CG2 4.44Å; R325-V327 VanDerWaalsContact NE-CG1 3.33Å
326T96.4Very high96.5Very high54 Ų5457.1 Ų57.133%0.33128%0.278SS..BIsolated β-bridgetrans-97.3119.817558.80000109.8F148 R149 L193 Y324F148-T326 HydrophobicContact CB-CG2 4.1Å; F148-T326 WeakPolarHBondContact O-CA 3.31Å; R149-T326 VanDerWaalsContact O-CB 3.23Å; R149-T326 WeakPolarHBondContact O-CB 3.42Å; R149-T326 WeakPolarHBondContact O-CG2 3.45Å; L193-T326 HydrophobicContact CD2-CG2 3.7Å; Y324-T326 PolarHBondContact O-N 3.48Å
327V96.7Very high96.5Very high10 Ų1055.1 Ų55.16%0.06127%0.267CS..  trans-147.8156.1-173.8-79.10000112.2F148 P150 N268 R325 E331 I332F148-V327 PolarHBondContact O-N 2.9Å; P150-V327 WeakPolarHBondContact CD-O 3.38Å; N268-V327 PolarHBondContact ND2-O 2.94Å; N268-V327 PolarHBondContact OD1-O 2.62Å; R325-V327 HydrophobicContact CG-CG1 3.79Å; R325-V327 HydrophobicContact CG-CG2 4.44Å; R325-V327 VanDerWaalsContact NE-CG1 3.33Å; V327-E331 HydrophobicContact CB-CB 4.48Å; V327-I332 HydrophobicContact CB-CG1 4.48Å; V327-I332 HydrophobicContact CG2-CD1 4.01Å; V327-I332 HydrophobicContact CG2-CG1 3.66Å
328S96.6Very high96.3Very high36 Ų3660.2 Ų60.225%0.25229%0.29SS..  trans-77.5152.4173.571.20000111.6K330 E331 I332S328-K330 PolarHBondContact O-N 3.48Å; S328-K330 VanDerWaalsContact O-N 3.08Å; S328-E331 WeakPolarHBondContact CB-OE1 3.45Å; S328-E331 PolarHBondContact N-OE1 3.24Å; S328-E331 PolarHBondContact O-N 3.26Å; S328-E331 PolarHBondContact OG-OE1 3Å; S328-I332 WeakPolarHBondContact O-CG1 3.43Å; S328-I332 PolarHBondContact O-N 2.89Å
329P94.6Very high95.8Very high37 Ų3763.1 Ų63.124%0.2431%0.305CS..Hα-helixtrans-52.2-34.7177-28.534.7000114.4N268 F270 E331 I332 K333N268-P329 HydrophobicContact CB-CG 4.18Å; F270-P329 HydrophobicContact CB-CB 4.14Å; F270-P329 HydrophobicContact CB-CG 4.4Å; F270-P329 HydrophobicContact CD1-CB 3.99Å; F270-P329 HydrophobicContact CD1-CG 4.27Å; F270-P329 HydrophobicContact CD2-CB 4.43Å; F270-P329 HydrophobicContact CG-CB 3.95Å; F270-P329 HydrophobicContact CG-CG 4.49Å; P329-E331 VanDerWaalsContact C-N 3.26Å; P329-E331 PolarHBondContact O-N 2.85Å; P329-I332 PolarHBondContact O-N 3.14Å; P329-K333 PolarHBondContact O-N 2.91Å
330K95.2Very high94.8Very high178 Ų17872.9 Ų72.977%0.77435%0.347SS*.Hα-helixtrans-61.3-34.1179.2-174.8179.8176.7-176.60112.6S328S328-K330 PolarHBondContact O-N 3.48Å; S328-K330 VanDerWaalsContact O-N 3.08Å
331E94.8Very high93.4Very high117 Ų11768.2 Ų68.255%0.54734%0.335SS..Hα-helixtrans-84.7-13.2-179.1-64.5167.8-85.900113.2V327 S328 P329V327-E331 HydrophobicContact CB-CB 4.48Å; S328-E331 WeakPolarHBondContact CB-OE1 3.45Å; S328-E331 PolarHBondContact N-OE1 3.24Å; S328-E331 PolarHBondContact O-N 3.26Å; S328-E331 PolarHBondContact OG-OE1 3Å; P329-E331 VanDerWaalsContact C-N 3.26Å; P329-E331 PolarHBondContact O-N 2.85Å
332I95.1Very high92.9Very high13 Ų1376.2 Ų76.27%0.06737%0.37CS..Hα-helixtrans-84.4-35.4176.3-52.4174.1000110.2C146 N268 F270 V278 V327 S328 P329 L334C146-I332 HydrophobicContact CB-CG2 4.16Å; C146-I332 VanDerWaalsContact O-CD1 3.24Å; C146-I332 WeakPolarHBondContact O-CD1 3.42Å; C146-I332 VanDerWaalsContact SG-CG2 3.54Å; N268-I332 HydrophobicContact CB-CD1 4.15Å; N268-I332 WeakPolarHBondContact ND2-CD1 3.49Å; F270-I332 HydrophobicContact CE1-CD1 4.07Å; F270-I332 HydrophobicContact CZ-CB 4.46Å; F270-I332 HydrophobicContact CZ-CD1 4.49Å; F270-I332 HydrophobicContact CZ-CG2 4.27Å; V278-I332 HydrophobicContact CG2-CG2 3.64Å; V327-I332 HydrophobicContact CB-CG1 4.48Å; V327-I332 HydrophobicContact CG2-CD1 4.01Å; V327-I332 HydrophobicContact CG2-CG1 3.66Å; S328-I332 WeakPolarHBondContact O-CG1 3.43Å; S328-I332 PolarHBondContact O-N 2.89Å; P329-I332 PolarHBondContact O-N 3.14Å; I332-L334 PolarHBondContact O-N 2.94Å
333K96.6Very high92.8Very high57 Ų5777.6 Ų77.625%0.24838%0.375CS..EExtended strand (participates in β ladder)trans-59.2136.7-179.3-67.6-171.2-172.3-165.30111.3L272 E276 A277 P329L272-K333 HydrophobicContact CD2-CD 4.02Å; L272-K333 HydrophobicContact CD2-CG 3.95Å; E276-K333 IonicContact OE1-NZ 3.94Å; E276-K333 PolarHBondContact OE1-NZ 2.79Å; E276-K333 IonicContact OE2-NZ 3.82Å; E276-K333 PolarHBondContact OE2-NZ 2.73Å; A277-K333 CarbonylContact O-C 3.56Å; A277-K333 WeakPolarHBondContact O-CA 3.3Å; P329-K333 PolarHBondContact O-N 2.91Å
334L96.9Very high92.8Very high30 Ų3075.9 Ų75.916%0.15736%0.364CS..EExtended strand (participates in β ladder)trans-80.3119.7169.3-179.269.8000108.4M135 A277 F279 I332 P336 P349M135-L334 HydrophobicContact CG-CD2 4.18Å; M135-L334 HydrophobicContact SD-CD2 3.29Å; M135-L334 WeakPolarHBondContact SD-CD2 3.42Å; A277-L334 HydrophobicContact CB-CB 4.21Å; A277-L334 PolarHBondContact O-N 2.68Å; F279-L334 HydrophobicContact CB-CB 4.49Å; I332-L334 PolarHBondContact O-N 2.94Å; L334-P336 VanDerWaalsContact O-CD 3.29Å; L334-P336 WeakPolarHBondContact O-CD 3.48Å; L334-P349 HydrophobicContact CD2-CB 4.43Å
335I96.7Very high92.8Very high145 Ų14575.9 Ų75.974%0.74437%0.365SS*.  trans-82.1113.9175.9-57.9178.3000108.3
336P96.6Very high92.9Very high42 Ų4272.5 Ų72.527%0.27335%0.354SS..PPolyproline II helixtrans-71.9151176.930.1-33.9000111.3L334 T345 I346 Y347L334-P336 VanDerWaalsContact O-CD 3.29Å; L334-P336 WeakPolarHBondContact O-CD 3.48Å; P336-T345 HydrophobicContact CB-CG2 3.51Å; P336-T345 HydrophobicContact CG-CG2 4.01Å; P336-I346 CarbonylContact C-O 3.57Å; P336-I346 WeakPolarHBondContact CA-O 3.38Å; P336-Y347 HydrophobicContact CB-CD1 3.83Å; P336-Y347 HydrophobicContact CB-CE1 3.72Å; P336-Y347 HydrophobicContact CB-CG 4.36Å; P336-Y347 HydrophobicContact CG-CE1 4.01Å
337K95.9Very high93Very high119 Ų11970 Ų7052%0.51734%0.339SS..EExtended strand (participates in β ladder)trans-91.6134.1172.6-60.2167.8-173.5164.10108.3I346 D348K337-I346 HydrophobicContact CB-CB 4.34Å; K337-I346 PolarHBondContact N-O 3.05Å; K337-I346 PolarHBondContact O-N 3.42Å; K337-D348 IonicContact NZ-OD2 3.39Å; K337-D348 PolarHBondContact NZ-OD2 2.86Å
338Q92.5Very high93Very high130 Ų13072.4 Ų72.461%0.60735%0.351SS*.EExtended strand (participates in β ladder)trans-82.6127164.5-68.4-61.4-16.400108.2L344 T345Q338-L344 PolarHBondContact OE1-O 3.18Å; Q338-L344 VanDerWaalsContact OE1-O 3.14Å; Q338-T345 VanDerWaalsContact CD-OG1 3.32Å; Q338-T345 PolarHBondContact NE2-OG1 2.9Å; Q338-T345 PolarHBondContact OE1-OG1 3.42Å
339D88.1Confident93.1Very high60 Ų6070.7 Ų70.732%0.32134%0.339SS..PPolyproline II helixtrans-70.4164.1173.7-17648000110.7G341 L344 I346D339-G341 PolarHBondContact O-N 2.95Å; D339-G341 PolarHBondContact OD2-N 2.79Å; D339-L344 HydrophobicContact CB-CB 3.99Å; D339-L344 HydrophobicContact CB-CD2 3.71Å; D339-L344 HydrophobicContact CB-CG 3.85Å; D339-L344 PolarHBondContact N-O 2.82Å; D339-I346 HydrophobicContact CB-CD1 3.94Å; D339-I346 HydrophobicContact CB-CG1 4.34Å
340K77Confident93.2Very high214 Ų21474.1 Ų74.193%0.9336%0.361SS*.SBendtrans-60.6-24.2170.4-65.7-178.6-178.81760111.7
341G68.1Low93.2Very high19 Ų1966.8 Ų66.820%0.19633%0.331CS..SBendtrans-67.3129.2168.200000112.5D339 Y343 L344D339-G341 PolarHBondContact O-N 2.95Å; D339-G341 PolarHBondContact OD2-N 2.79Å; G341-Y343 PolarHBondContact O-N 2.99Å; G341-L344 PolarHBondContact O-N 2.92Å
342K85.1Confident93.2Very high175 Ų17568.3 Ų68.376%0.76134%0.336SS*.THydrogen-bonded Turntrans-52.8-23.9-173.4-69.3-177.2178.8179.20116.2
343Y95.5Very high93.3Very high38 Ų3868.3 Ų68.315%0.14934%0.336CS..THydrogen-bonded Turntrans-127.913-164-60.2-44000113.4G341 I359 E360 V361 P362 E365 Y367G341-Y343 PolarHBondContact O-N 2.99Å; Y343-I359 CarbonylContact O-C 3.59Å; Y343-I359 WeakPolarHBondContact O-CA 3.5Å; Y343-E360 WeakPolarHBondContact CB-O 3.25Å; Y343-E360 VanDerWaalsContact CD1-O 3.29Å; Y343-E360 WeakPolarHBondContact CD1-O 3.26Å; Y343-E360 PolarHBondContact O-N 3.28Å; Y343-V361 HydrophobicContact CD2-CG1 4.32Å; Y343-V361 HydrophobicContact CD2-CG2 4.27Å; Y343-V361 HydrophobicContact CE2-CG1 4.48Å; Y343-V361 HydrophobicContact CG-CG2 4.41Å; Y343-P362 VanDerWaalsContact CD1-CD 3.5Å; Y343-P362 HydrophobicContact CD1-CG 4.15Å; Y343-P362 HydrophobicContact CE1-CG 3.52Å; Y343-E365 HydrophobicContact CE2-CB 4.31Å; Y343-E365 WeakPolarHBondContact OH-CG 3.47Å; Y343-Y367 AromaticContact CD2-CD2 3.81Å; Y343-Y367 HydrophobicContact CD2-CD2 3.81Å; Y343-Y367 AromaticContact CD2-CG 3.94Å; Y343-Y367 HydrophobicContact CD2-CG 3.94Å
344L96.9Very high93.4Very high10 Ų1065.6 Ų65.65%0.05232%0.324CS..EExtended strand (participates in β ladder)trans-118119.1-174.2174.264.8000111.3Q338 D339 G341 I346 H357 I359 Y367Q338-L344 PolarHBondContact OE1-O 3.18Å; Q338-L344 VanDerWaalsContact OE1-O 3.14Å; D339-L344 HydrophobicContact CB-CB 3.99Å; D339-L344 HydrophobicContact CB-CD2 3.71Å; D339-L344 HydrophobicContact CB-CG 3.85Å; D339-L344 PolarHBondContact N-O 2.82Å; G341-L344 PolarHBondContact O-N 2.92Å; L344-I346 HydrophobicContact CD2-CG1 4.43Å; L344-I346 HydrophobicContact CG-CG1 4.19Å; L344-H357 HydrophobicContact CD1-CB 3.59Å; L344-I359 HydrophobicContact CD1-CD1 4.26Å; L344-I359 HydrophobicContact CD1-CG1 4.01Å; L344-Y367 WeakPolarHBondContact CB-OH 3.3Å
345T97.9Very high93.4Very high8 Ų864.4 Ų64.45%0.04932%0.318CS..EExtended strand (participates in β ladder)trans-108.6129.4171.6-56.70000109.7P336 Q338 Y347 H357 R358P336-T345 HydrophobicContact CB-CG2 3.51Å; P336-T345 HydrophobicContact CG-CG2 4.01Å; Q338-T345 VanDerWaalsContact CD-OG1 3.32Å; Q338-T345 PolarHBondContact NE2-OG1 2.9Å; Q338-T345 PolarHBondContact OE1-OG1 3.42Å; T345-Y347 HydrophobicContact CG2-CD2 4.49Å; T345-Y347 HydrophobicContact CG2-CE2 3.81Å; T345-H357 WeakPolarHBondContact O-CA 3.37Å; T345-R358 PolarHBondContact N-O 3.15Å; T345-R358 PolarHBondContact O-N 2.94Å
346I97.9Very high93.5Very high30 Ų3057.5 Ų57.515%0.15428%0.283CS..EExtended strand (participates in β ladder)trans-108.1120.3-174.6-54.9177.3000109.7P336 K337 D339 L344 D348P336-I346 CarbonylContact C-O 3.57Å; P336-I346 WeakPolarHBondContact CA-O 3.38Å; K337-I346 HydrophobicContact CB-CB 4.34Å; K337-I346 PolarHBondContact N-O 3.05Å; K337-I346 PolarHBondContact O-N 3.42Å; D339-I346 HydrophobicContact CB-CD1 3.94Å; D339-I346 HydrophobicContact CB-CG1 4.34Å; L344-I346 HydrophobicContact CD2-CG1 4.43Å; L344-I346 HydrophobicContact CG-CG1 4.19Å; I346-D348 HydrophobicContact CG2-CB 4.08Å
347Y98.5Very high93.6Very high3 Ų356.3 Ų56.31%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-102.9106.1171.2-57.2-94.4000109.1I137 G275 A277 P336 T345 P349 C355 V356 R358I137-Y347 HydrophobicContact CD1-CD1 3.93Å; I137-Y347 HydrophobicContact CD1-CD2 3.58Å; I137-Y347 HydrophobicContact CD1-CE1 4.27Å; I137-Y347 HydrophobicContact CD1-CE2 3.96Å; I137-Y347 HydrophobicContact CD1-CG 3.56Å; I137-Y347 HydrophobicContact CG1-CD1 3.94Å; I137-Y347 HydrophobicContact CG1-CD2 4.46Å; I137-Y347 HydrophobicContact CG1-CE1 4.16Å; I137-Y347 HydrophobicContact CG1-CG 4.1Å; I137-Y347 HydrophobicContact CG2-CD1 4.44Å; I137-Y347 HydrophobicContact CG2-CE1 3.78Å; I137-Y347 HydrophobicContact CG2-CE2 4.23Å; G275-Y347 WeakPolarHBondContact O-CE1 3.36Å; G275-Y347 PolarHBondContact O-OH 3.11Å; A277-Y347 HydrophobicContact CB-CD1 3.51Å; A277-Y347 HydrophobicContact CB-CE1 3.62Å; P336-Y347 HydrophobicContact CB-CD1 3.83Å; P336-Y347 HydrophobicContact CB-CE1 3.72Å; P336-Y347 HydrophobicContact CB-CG 4.36Å; P336-Y347 HydrophobicContact CG-CE1 4.01Å; T345-Y347 HydrophobicContact CG2-CD2 4.49Å; T345-Y347 HydrophobicContact CG2-CE2 3.81Å; Y347-P349 WeakPolarHBondContact O-CD 3.46Å; Y347-C355 PolarHBondContact O-SG 3.08Å; Y347-V356 WeakPolarHBondContact CB-O 3.25Å; Y347-V356 WeakPolarHBondContact CD2-O 3.32Å; Y347-V356 PolarHBondContact N-O 3.22Å; Y347-V356 PolarHBondContact O-N 3.03Å; Y347-R358 HydrophobicContact CD2-CB 4.49Å; Y347-R358 HydrophobicContact CE2-CB 3.72Å
348D97.7Very high93.7Very high59 Ų5952.8 Ų52.832%0.31626%0.257SS..  trans-124.678.9-167178.628000110.3K337 I346 K426K337-D348 IonicContact NZ-OD2 3.39Å; K337-D348 PolarHBondContact NZ-OD2 2.86Å; I346-D348 HydrophobicContact CG2-CB 4.08Å; D348-K426 VanDerWaalsContact OD1-CE 3.31Å; D348-K426 WeakPolarHBondContact OD1-CE 3.44Å; D348-K426 IonicContact OD1-NZ 3.96Å; D348-K426 PolarHBondContact OD1-NZ 3.37Å
349P97.5Very high94Very high0 Ų046.6 Ų46.60%023%0.228CC..  trans-70.3158178.627-30.4000111.1M135 F279 L334 Y347 V351 F354 K426M135-P349 HydrophobicContact CE-CG 4.36Å; M135-P349 HydrophobicContact SD-CB 4.33Å; M135-P349 HydrophobicContact SD-CG 3.84Å; F279-P349 HydrophobicContact CB-CB 4.26Å; F279-P349 HydrophobicContact CD2-CB 3.33Å; F279-P349 HydrophobicContact CD2-CG 4.33Å; F279-P349 HydrophobicContact CE2-CB 3.76Å; F279-P349 HydrophobicContact CG-CB 3.83Å; L334-P349 HydrophobicContact CD2-CB 4.43Å; Y347-P349 WeakPolarHBondContact O-CD 3.46Å; P349-V351 HydrophobicContact CB-CG2 4.25Å; P349-V351 HydrophobicContact CG-CG2 3.94Å; P349-V351 PolarHBondContact O-N 3.05Å; P349-F354 HydrophobicContact CG-CD2 3.93Å; P349-F354 HydrophobicContact CG-CE2 3.46Å; P349-F354 VanDerWaalsContact CG-CE2 3.46Å; P349-F354 HydrophobicContact CG-CZ 4.16Å; P349-K426 PolarHBondContact O-NZ 3.49Å
350P96.1Very high94.4Very high110 Ų11047.5 Ų47.571%0.71423%0.23SC*.SBendtrans-77.452.1-174.234.5-38.4000113.6F279F279-P350 HydrophobicContact CD1-CG 3.98Å; F279-P350 HydrophobicContact CE1-CG 3.62Å; F279-P350 HydrophobicContact CZ-CG 4.19Å
351V96.1Very high95.4Very high23 Ų2337.3 Ų37.314%0.13919%0.186CC..  trans-134.7161.9178.5-62.40000109.9P133 F279 P349 E353 F354 K426P133-V351 HydrophobicContact CB-CG1 3.68Å; P133-V351 HydrophobicContact CG-CB 4.44Å; P133-V351 HydrophobicContact CG-CG1 3.88Å; F279-V351 HydrophobicContact CE2-CG1 3.84Å; F279-V351 HydrophobicContact CE2-CG2 4.44Å; F279-V351 HydrophobicContact CZ-CG1 3.6Å; P349-V351 HydrophobicContact CB-CG2 4.25Å; P349-V351 HydrophobicContact CG-CG2 3.94Å; P349-V351 PolarHBondContact O-N 3.05Å; V351-E353 WeakPolarHBondContact CB-OE2 3.4Å; V351-F354 HydrophobicContact CG2-CD1 4.2Å; V351-F354 HydrophobicContact CG2-CE1 3.84Å; V351-F354 HydrophobicContact CG2-CE2 4.34Å; V351-F354 HydrophobicContact CG2-CZ 3.93Å; V351-K426 WeakPolarHBondContact O-CD 3.07Å; V351-K426 WeakPolarHBondContact O-CE 3.49Å; V351-K426 PolarHBondContact O-NZ 2.66Å
352K95.3Very high96.7Very high149 Ų14938.7 Ų38.765%0.64819%0.192SC*.SBendtrans-94-22.8-178.562.2176.7-175.8173.50112.7F354 K426K352-F354 VanDerWaalsContact C-N 3.32Å; K352-F354 PolarHBondContact O-N 3.32Å; K352-K426 WeakPolarHBondContact O-CB 3.43Å; K352-K426 PolarHBondContact O-N 3.42Å
353E96.9Very high97.2Very high13 Ų1337.2 Ų37.26%0.06118%0.181CC..SBendtrans-65.9-33.6-169.1-72.477.6-177.400112.4P92 F93 H131 A298 V351 A425P92-E353 HydrophobicContact CB-CB 4.39Å; P92-E353 HydrophobicContact CB-CG 4.31Å; F93-E353 WeakPolarHBondContact CD1-O 3.28Å; H131-E353 IonicContact CD2-OE1 2.69Å; H131-E353 IonicContact CE1-OE1 3.41Å; H131-E353 PolarHBondContact CE1-OE1 2.9Å; H131-E353 IonicContact NE2-OE1 3.26Å; H131-E353 PolarHBondContact NE2-OE1 3.44Å; H131-E353 IonicContact NE2-OE2 2.87Å; A298-E353 HydrophobicContact CB-CB 4.28Å; A298-E353 HydrophobicContact CB-CG 3.91Å; V351-E353 WeakPolarHBondContact CB-OE2 3.4Å; E353-A425 WeakPolarHBondContact O-CA 3.25Å
354F98.1Very high97.2Very high0 Ų042.6 Ų42.60%021%0.205CC..  trans-155.3151.8-177.157.8-89.3000115.1F93 M135 C296 P349 V351 K352 F424 K426F93-F354 HydrophobicContact CB-CB 3.75Å; F93-F354 HydrophobicContact CB-CD1 4.18Å; F93-F354 HydrophobicContact CB-CG 4.35Å; F93-F354 HydrophobicContact CD1-CB 4.44Å; F93-F354 HydrophobicContact CG-CB 4.1Å; M135-F354 HydrophobicContact CB-CE2 3.73Å; M135-F354 HydrophobicContact CB-CZ 4.23Å; M135-F354 HydrophobicContact CE-CD2 4.27Å; M135-F354 HydrophobicContact CE-CE2 4.1Å; C296-F354 HydrophobicContact CB-CD2 3.78Å; C296-F354 HydrophobicContact CB-CE2 4Å; C296-F354 HydrophobicContact CB-CG 4.24Å; C296-F354 WeakPolarHBondContact O-CE2 3.41Å; C296-F354 WeakPolarHBondContact O-CZ 3.29Å; P349-F354 HydrophobicContact CG-CD2 3.93Å; P349-F354 HydrophobicContact CG-CE2 3.46Å; P349-F354 VanDerWaalsContact CG-CE2 3.46Å; P349-F354 HydrophobicContact CG-CZ 4.16Å; V351-F354 HydrophobicContact CG2-CD1 4.2Å; V351-F354 HydrophobicContact CG2-CE1 3.84Å; V351-F354 HydrophobicContact CG2-CE2 4.34Å; V351-F354 HydrophobicContact CG2-CZ 3.93Å; K352-F354 VanDerWaalsContact C-N 3.32Å; K352-F354 PolarHBondContact O-N 3.32Å; F354-F424 CarbonylContact C-O 3.48Å; F354-F424 VanDerWaalsContact CA-O 3.23Å; F354-F424 WeakPolarHBondContact CA-O 3.39Å; F354-K426 WeakPolarHBondContact O-CE 3.14Å
355C98.4Very high97.2Very high6 Ų646 Ų464%0.04122%0.221CC..EExtended strand (participates in β ladder)trans-129.3151.3159.3-176.40000108.3Y347 S423 F424 K426Y347-C355 PolarHBondContact O-SG 3.08Å; C355-S423 WeakPolarHBondContact O-CA 3.26Å; C355-F424 HydrophobicContact CB-CD2 4.34Å; C355-F424 HydrophobicContact CB-CE1 4.01Å; C355-F424 HydrophobicContact CB-CE2 3.74Å; C355-F424 HydrophobicContact CB-CZ 3.56Å; C355-F424 PolarHBondContact N-O 2.89Å; C355-F424 PolarHBondContact O-N 3.21Å; C355-F424 VanDerWaalsContact O-N 3.09Å; C355-K426 HydrophobicContact CB-CG 4.13Å
356V98.8Very high97Very high0 Ų049.9 Ų49.90%024%0.242CC..EExtended strand (participates in β ladder)trans-124.8126.3175.6-177.80000109.9F95 M135 I137 C296 Y347 F421 Q422F95-V356 HydrophobicContact CE2-CG1 4.34Å; F95-V356 HydrophobicContact CE2-CG2 4.35Å; M135-V356 HydrophobicContact CE-CB 3.7Å; M135-V356 HydrophobicContact CE-CG2 3.43Å; M135-V356 VanDerWaalsContact CE-CG2 3.43Å; I137-V356 HydrophobicContact CD1-CB 4.05Å; I137-V356 HydrophobicContact CD1-CG1 3.77Å; C296-V356 HydrophobicContact CB-CG2 3.74Å; Y347-V356 WeakPolarHBondContact CB-O 3.25Å; Y347-V356 WeakPolarHBondContact CD2-O 3.32Å; Y347-V356 PolarHBondContact N-O 3.22Å; Y347-V356 PolarHBondContact O-N 3.03Å; V356-F421 HydrophobicContact CG1-CD1 3.75Å; V356-Q422 CarbonylContact C-O 3.51Å; V356-Q422 WeakPolarHBondContact CA-O 3.44Å
357H98.2Very high96.9Very high16 Ų1649.6 Ų49.67%0.07424%0.239CC..EExtended strand (participates in β ladder)trans-96.5139.7168.6-72.5176.6000110L344 T345 I359 F421 Q422 F424L344-H357 HydrophobicContact CD1-CB 3.59Å; T345-H357 WeakPolarHBondContact O-CA 3.37Å; H357-I359 HydrophobicContact CB-CD1 3.84Å; H357-F421 CarbonylContact O-C 3.21Å; H357-F421 VanDerWaalsContact O-CA 3.26Å; H357-F421 WeakPolarHBondContact O-CA 3.47Å; H357-Q422 HydrophobicContact CB-CB 4.16Å; H357-Q422 PolarHBondContact N-O 3.47Å; H357-Q422 PolarHBondContact ND1-OE1 3.34Å; H357-Q422 PolarHBondContact O-N 2.82Å; H357-F424 AromaticContact CD2-CE1 3.65Å; H357-F424 AromaticContact CD2-CZ 3.89Å; H357-F424 AromaticContact CE1-CE1 3.6Å; H357-F424 AromaticContact CE1-CZ 3.57Å; H357-F424 AromaticContact CG-CE1 3.71Å; H357-F424 AromaticContact ND1-CE1 3.67Å; H357-F424 AromaticContact NE2-CE1 3.6Å; H357-F424 AromaticContact NE2-CZ 3.4Å; H357-F424 WeakPolarHBondContact NE2-CZ 3.44Å
358R98.3Very high96.7Very high45 Ų4553 Ų5317%0.1726%0.26CS..EExtended strand (participates in β ladder)trans-113.3118.8165.4178.9180176.4-89.6-3.1108.4T345 Y347 E360 V419 F421T345-R358 PolarHBondContact N-O 3.15Å; T345-R358 PolarHBondContact O-N 2.94Å; Y347-R358 HydrophobicContact CD2-CB 4.49Å; Y347-R358 HydrophobicContact CE2-CB 3.72Å; R358-E360 IonicContact CZ-OE2 3.86Å; R358-E360 IonicContact NH1-OE2 3.94Å; R358-E360 PolarHBondContact NH1-OE2 2.89Å; R358-E360 IonicContact NH2-OE1 3.91Å; R358-E360 IonicContact NH2-OE2 3.39Å; R358-E360 PolarHBondContact NH2-OE2 2.9Å; R358-V419 HydrophobicContact CG-CG1 4.27Å; R358-F421 HydrophobicContact CB-CD1 4.04Å; R358-F421 HydrophobicContact CB-CE1 3.76Å; R358-F421 HydrophobicContact CB-CZ 4.19Å; R358-F421 HydrophobicContact CG-CD1 4.43Å; R358-F421 HydrophobicContact CG-CE1 3.92Å; R358-F421 HydrophobicContact CG-CE2 4.21Å; R358-F421 HydrophobicContact CG-CZ 3.81Å
359I97.7Very high96.5Very high0 Ų050.4 Ų50.40%025%0.246CC..EExtended strand (participates in β ladder)trans-105.7114.2179.7-58.983.2000107.3Y343 L344 H357 V361 Y367 L369 I411 V419 M420 Q422Y343-I359 CarbonylContact O-C 3.59Å; Y343-I359 WeakPolarHBondContact O-CA 3.5Å; L344-I359 HydrophobicContact CD1-CD1 4.26Å; L344-I359 HydrophobicContact CD1-CG1 4.01Å; H357-I359 HydrophobicContact CB-CD1 3.84Å; I359-V361 HydrophobicContact CG2-CG2 3.85Å; I359-Y367 HydrophobicContact CG2-CD1 3.78Å; I359-Y367 HydrophobicContact CG2-CE1 3.85Å; I359-L369 HydrophobicContact CD1-CD1 4.49Å; I359-L369 HydrophobicContact CG1-CD1 4.05Å; I359-L369 HydrophobicContact CG1-CD2 4.46Å; I359-I411 HydrophobicContact CG2-CD1 4.09Å; I359-V419 WeakPolarHBondContact O-CA 3.44Å; I359-M420 HydrophobicContact CB-CB 4.49Å; I359-M420 HydrophobicContact CB-CE 4.45Å; I359-M420 HydrophobicContact CD1-CE 3.94Å; I359-M420 HydrophobicContact CG1-CE 4.23Å; I359-M420 PolarHBondContact N-O 3.46Å; I359-M420 PolarHBondContact O-N 3.5Å; I359-Q422 HydrophobicContact CD1-CB 4.05Å
360E97Very high96.4Very high79 Ų7955.7 Ų55.737%0.36927%0.274SS..EExtended strand (participates in β ladder)trans-121.398.9179.2178.5172.5-161.100110.5Y343 R358 F418 V419Y343-E360 WeakPolarHBondContact CB-O 3.25Å; Y343-E360 VanDerWaalsContact CD1-O 3.29Å; Y343-E360 WeakPolarHBondContact CD1-O 3.26Å; Y343-E360 PolarHBondContact O-N 3.28Å; R358-E360 IonicContact CZ-OE2 3.86Å; R358-E360 IonicContact NH1-OE2 3.94Å; R358-E360 PolarHBondContact NH1-OE2 2.89Å; R358-E360 IonicContact NH2-OE1 3.91Å; R358-E360 IonicContact NH2-OE2 3.39Å; R358-E360 PolarHBondContact NH2-OE2 2.9Å; E360-F418 WeakPolarHBondContact CA-O 3.34Å; E360-V419 HydrophobicContact CG-CG2 4.16Å
361V97Very high96.3Very high0 Ų052.8 Ų52.80%026%0.259CS..EExtended strand (participates in β ladder)trans-102121.4-177.1-175.60000109.4Y343 I359 E365 Y367 I411 V413 F418Y343-V361 HydrophobicContact CD2-CG1 4.32Å; Y343-V361 HydrophobicContact CD2-CG2 4.27Å; Y343-V361 HydrophobicContact CE2-CG1 4.48Å; Y343-V361 HydrophobicContact CG-CG2 4.41Å; I359-V361 HydrophobicContact CG2-CG2 3.85Å; V361-E365 HydrophobicContact CG1-CB 3.88Å; V361-Y367 HydrophobicContact CG2-CD1 3.95Å; V361-Y367 HydrophobicContact CG2-CG 4.07Å; V361-I411 HydrophobicContact CG2-CG2 4.35Å; V361-V413 HydrophobicContact CB-CG2 3.68Å; V361-V413 HydrophobicContact CG1-CB 4.15Å; V361-V413 HydrophobicContact CG1-CG2 3.48Å; V361-V413 VanDerWaalsContact CG1-CG2 3.48Å; V361-F418 PolarHBondContact N-O 3.46Å; V361-F418 PolarHBondContact O-N 3.05Å
362P96.4Very high96.3Very high49 Ų4953.4 Ų53.432%0.31826%0.261SS..PPolyproline II helixtrans-63.8164.4179-22.733000113.3Y343 K364 E365 V413Y343-P362 VanDerWaalsContact CD1-CD 3.5Å; Y343-P362 HydrophobicContact CD1-CG 4.15Å; Y343-P362 HydrophobicContact CE1-CG 3.52Å; P362-K364 PolarHBondContact O-N 2.93Å; P362-E365 HydrophobicContact CB-CG 4Å; P362-E365 HydrophobicContact CG-CG 4.29Å; P362-E365 WeakPolarHBondContact O-CB 3.35Å; P362-E365 PolarHBondContact O-N 3.25Å; P362-V413 WeakPolarHBondContact O-CB 3.41Å; P362-V413 WeakPolarHBondContact O-CG1 3.25Å
363R96.1Very high96.3Very high143 Ų14350.5 Ų50.554%0.5425%0.253SS..THydrogen-bonded Turntrans-56.4138.7170.8176.1-174.3-177.4179.9-0110.8E365 K414 T415R363-E365 PolarHBondContact O-N 3.49Å; R363-K414 WeakPolarHBondContact CG-O 3.3Å; R363-T415 WeakPolarHBondContact CD-O 3.47Å; R363-T415 WeakPolarHBondContact CG-O 3.33Å; R363-T415 PolarHBondContact NE-O 2.94Å
364K95.5Very high96.3Very high151 Ų15150 Ų5066%0.65725%0.251SS*.THydrogen-bonded Turntrans65.221.4177.4-68169.1-180-173.20114P362 V413P362-K364 PolarHBondContact O-N 2.93Å; K364-V413 WeakPolarHBondContact CA-O 3.34Å; K364-V413 PolarHBondContact N-O 2.83Å
365E96.4Very high96.3Very high81 Ų8150.1 Ų50.138%0.37925%0.252SS..  trans-108.3161.9175.9-70.5-67.9168.700112.1Y343 V361 P362 R363 V413Y343-E365 HydrophobicContact CE2-CB 4.31Å; Y343-E365 WeakPolarHBondContact OH-CG 3.47Å; V361-E365 HydrophobicContact CG1-CB 3.88Å; P362-E365 HydrophobicContact CB-CG 4Å; P362-E365 HydrophobicContact CG-CG 4.29Å; P362-E365 WeakPolarHBondContact O-CB 3.35Å; P362-E365 PolarHBondContact O-N 3.25Å; R363-E365 PolarHBondContact O-N 3.49Å; E365-V413 PolarHBondContact N-O 2.8Å; E365-V413 PolarHBondContact O-N 3Å
366N94.3Very high96.3Very high91 Ų9149.9 Ų49.949%0.48725%0.25SS..EExtended strand (participates in β ladder)trans-120.6143169.6-64.1-90.4000108.9I411 T412N366-I411 CarbonylContact C-O 3.57Å; N366-I411 WeakPolarHBondContact CA-O 3.29Å; N366-T412 WeakPolarHBondContact OD1-CG2 3.16Å; N366-T412 PolarHBondContact OD1-OG1 3.34Å
367Y95.3Very high96.3Very high23 Ų2349.9 Ų49.99%0.0925%0.25CS..EExtended strand (participates in β ladder)trans-139139.5176.2-176.9-123.7000110Y343 L344 I359 V361 L369 I411Y343-Y367 AromaticContact CD2-CD2 3.81Å; Y343-Y367 HydrophobicContact CD2-CD2 3.81Å; Y343-Y367 AromaticContact CD2-CG 3.94Å; Y343-Y367 HydrophobicContact CD2-CG 3.94Å; L344-Y367 WeakPolarHBondContact CB-OH 3.3Å; I359-Y367 HydrophobicContact CG2-CD1 3.78Å; I359-Y367 HydrophobicContact CG2-CE1 3.85Å; V361-Y367 HydrophobicContact CG2-CD1 3.95Å; V361-Y367 HydrophobicContact CG2-CG 4.07Å; Y367-L369 HydrophobicContact CE1-CB 4.21Å; Y367-L369 HydrophobicContact CE1-CD1 4.23Å; Y367-I411 HydrophobicContact CD1-CD1 4.35Å; Y367-I411 PolarHBondContact N-O 2.89Å; Y367-I411 PolarHBondContact O-N 2.84Å
368V94.1Very high96.3Very high75 Ų7549.1 Ų49.146%0.45525%0.247SC..EExtended strand (participates in β ladder)trans-104.6116.1170.1179.80000106.6L409 K410V368-L409 CarbonylContact C-O 3.58Å; V368-L409 WeakPolarHBondContact CA-O 3.48Å; V368-K410 HydrophobicContact CG2-CG 4.45Å
369L94.4Very high96.3Very high4 Ų447 Ų472%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-84119.4170.3179.464.6000108I359 Y367 L403 S408 L409 I411 M420I359-L369 HydrophobicContact CD1-CD1 4.49Å; I359-L369 HydrophobicContact CG1-CD1 4.05Å; I359-L369 HydrophobicContact CG1-CD2 4.46Å; Y367-L369 HydrophobicContact CE1-CB 4.21Å; Y367-L369 HydrophobicContact CE1-CD1 4.23Å; L369-L403 HydrophobicContact CD2-CD2 4.48Å; L369-S408 VanDerWaalsContact O-CA 3.31Å; L369-S408 WeakPolarHBondContact O-CA 3.33Å; L369-S408 WeakPolarHBondContact O-CB 3.2Å; L369-L409 HydrophobicContact CB-CB 4.26Å; L369-L409 HydrophobicContact CD2-CD1 4.24Å; L369-L409 PolarHBondContact N-O 2.76Å; L369-L409 PolarHBondContact O-N 3Å; L369-I411 HydrophobicContact CB-CD1 4.4Å; L369-M420 HydrophobicContact CD2-CE 3.9Å
370D93.6Very high96.3Very high112 Ų11247 Ų4760%0.59924%0.239SC*.PPolyproline II helixtrans-64.8151.1179.4-69.7-30.8000111.7
371A94.4Very high96.3Very high48 Ų4843.6 Ų43.640%0.39722%0.223SC..PPolyproline II helixtrans-71.7137.8-179.900000111.7M407A371-M407 WeakPolarHBondContact CA-O 3.38Å
372L95.8Very high96.3Very high36 Ų3648.4 Ų48.419%0.18825%0.246CC..PPolyproline II helixtrans-93.5154.7169.4-59.9-179.1000110.7T374 K406 Q422 F424L372-T374 HydrophobicContact CB-CG2 4.23Å; L372-T374 PolarHBondContact O-N 3.19Å; L372-K406 WeakPolarHBondContact O-CA 3.38Å; L372-K406 PolarHBondContact O-N 3.04Å; L372-Q422 VanDerWaalsContact CD1-NE2 3.3Å; L372-F424 HydrophobicContact CD1-CB 4.2Å; L372-F424 HydrophobicContact CD1-CD1 3.5Å; L372-F424 HydrophobicContact CD1-CD2 3.8Å; L372-F424 HydrophobicContact CD1-CE1 3.69Å; L372-F424 HydrophobicContact CD1-CE2 3.96Å; L372-F424 HydrophobicContact CD1-CG 3.56Å; L372-F424 HydrophobicContact CD1-CZ 3.91Å; L372-F424 HydrophobicContact CD2-CZ 4.42Å
373N96.3Very high96.2Very high89 Ų8947.2 Ų47.248%0.47624%0.242SC..SBendtrans-75.2-7.3175.2-67.8-43.9000113.9G75 D427G75-N373 WeakPolarHBondContact CA-O 3.35Å; N373-D427 PolarHBondContact ND2-OD2 3.21Å
374T97.3Very high96.2Very high3 Ų341.6 Ų41.62%0.01823%0.225CC..BIsolated β-bridgetrans-120.5156.5-179.9178.50000110.9V74 N77 L78 L372 A405 F424 A425V74-T374 CarbonylContact O-C 3.59Å; V74-T374 WeakPolarHBondContact O-CA 3.32Å; N77-T374 WeakPolarHBondContact OD1-CB 3.37Å; L78-T374 WeakPolarHBondContact CD1-OG1 3.27Å; L372-T374 HydrophobicContact CB-CG2 4.23Å; L372-T374 PolarHBondContact O-N 3.19Å; T374-A405 WeakPolarHBondContact O-CA 3Å; T374-F424 HydrophobicContact CG2-CB 3.87Å; T374-F424 HydrophobicContact CG2-CD2 3.83Å; T374-F424 HydrophobicContact CG2-CG 4.23Å; T374-A425 WeakPolarHBondContact CG2-O 2.93Å
375C97.4Very high96.3Very high2 Ų234.5 Ų34.51%0.01419%0.194CC..  trans-66.7159.2164.7700000110.7Y73 V74 L402 L403Y73-C375 WeakPolarHBondContact O-CB 3.15Å; V74-C375 PolarHBondContact O-N 3.04Å; C375-L402 HydrophobicContact CB-CD1 4Å; C375-L403 VanDerWaalsContact CA-O 3.31Å; C375-L403 WeakPolarHBondContact CA-O 3.49Å
376S98.2Very high96.3Very high1 Ų132.3 Ų32.31%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-143.3155.318057.90000111.6L403 Q422 S423S376-L403 PolarHBondContact N-O 2.57Å; S376-L403 PolarHBondContact O-N 3.02Å; S376-L403 WeakPolarHBondContact OG-CB 3.39Å; S376-Q422 WeakPolarHBondContact OG-CG 3.19Å; S376-Q422 PolarHBondContact OG-NE2 3.04Å; S376-S423 CarbonylContact C-O 3.6Å; S376-S423 VanDerWaalsContact CA-O 3.28Å; S376-S423 WeakPolarHBondContact CA-O 3.26Å; S376-S423 VanDerWaalsContact CB-O 3.31Å; S376-S423 WeakPolarHBondContact CB-O 3.33Å
377I98.5Very high96.2Very high0 Ų028 Ų280%016%0.163CC..EExtended strand (participates in β ladder)trans-98126.2170.8-59-60.5000107.7L4 M46 L63 L91 F93 F95 G401 L402 Q422 S423L4-I377 HydrophobicContact CD1-CD1 3.72Å; M46-I377 HydrophobicContact CB-CG2 3.77Å; L63-I377 HydrophobicContact CD2-CD1 3.9Å; L91-I377 HydrophobicContact CD1-CD1 4.14Å; L91-I377 HydrophobicContact CD1-CG1 4.02Å; F93-I377 HydrophobicContact CE2-CG1 4.17Å; F93-I377 HydrophobicContact CZ-CG1 4.25Å; F95-I377 HydrophobicContact CD1-CG2 4.04Å; I377-G401 WeakPolarHBondContact CA-O 3.25Å; I377-L402 HydrophobicContact CD1-CD1 4.12Å; I377-Q422 CarbonylContact O-C 3.53Å; I377-Q422 WeakPolarHBondContact O-CA 3.12Å; I377-S423 PolarHBondContact N-O 3.36Å; I377-S423 PolarHBondContact O-N 2.99Å
378V98.3Very high95.8Very high0 Ų028.7 Ų28.70%017%0.172CC..EExtended strand (participates in β ladder)trans-109.3144.1175.9-57.50000111.5M1 F399 I400 G401 L403 M420 F421 Q422M1-V378 HydrophobicContact SD-CG2 3.48Å; M1-V378 WeakPolarHBondContact SD-CG2 3.31Å; V378-F399 HydrophobicContact CG2-CD1 4.47Å; V378-F399 HydrophobicContact CG2-CE1 4.08Å; V378-I400 WeakPolarHBondContact O-CA 3.38Å; V378-G401 PolarHBondContact N-O 2.65Å; V378-G401 PolarHBondContact O-N 3.39Å; V378-L403 HydrophobicContact CG1-CB 4.13Å; V378-L403 HydrophobicContact CG1-CD2 4.49Å; V378-M420 HydrophobicContact CB-CG 4.2Å; V378-M420 HydrophobicContact CB-SD 3.93Å; V378-M420 HydrophobicContact CG1-CE 4.38Å; V378-M420 HydrophobicContact CG1-SD 4.15Å; V378-M420 HydrophobicContact CG2-SD 4.38Å; V378-F421 CarbonylContact C-O 3.57Å; V378-F421 VanDerWaalsContact CA-O 3.25Å; V378-F421 WeakPolarHBondContact CA-O 3.36Å; V378-Q422 HydrophobicContact CG1-CB 4.04Å; V378-Q422 HydrophobicContact CG1-CG 4.01Å
379L98.4Very high94.9Very high0 Ų027.8 Ų27.80%016%0.163CC..EExtended strand (participates in β ladder)trans-132.9124.2172.8170.467.9000109.1M46 F95 V97 I294 V381 F399 I400 M420 F421M46-L379 HydrophobicContact CE-CD2 4.11Å; M46-L379 HydrophobicContact SD-CB 4.07Å; M46-L379 HydrophobicContact SD-CD1 4.24Å; M46-L379 HydrophobicContact SD-CD2 4.11Å; M46-L379 HydrophobicContact SD-CG 4.36Å; F95-L379 HydrophobicContact CE1-CB 3.92Å; F95-L379 HydrophobicContact CE1-CD2 4.45Å; V97-L379 HydrophobicContact CG2-CD2 3.39Å; I294-L379 HydrophobicContact CD1-CD2 3.76Å; L379-V381 HydrophobicContact CD2-CG1 3.66Å; L379-V381 HydrophobicContact CG-CG1 3.78Å; L379-F399 WeakPolarHBondContact CA-O 3.35Å; L379-I400 HydrophobicContact CD1-CD1 4.46Å; L379-I400 HydrophobicContact CD1-CG1 3.77Å; L379-M420 CarbonylContact O-C 3.46Å; L379-M420 VanDerWaalsContact O-CA 3.3Å; L379-M420 WeakPolarHBondContact O-CA 3.48Å; L379-F421 PolarHBondContact N-O 3.01Å; L379-F421 PolarHBondContact O-N 2.84Å
380V98Very high93.9Very high0 Ų034.2 Ų34.20%020%0.203CC..EExtended strand (participates in β ladder)trans-88.5117.1169.6-176.90000108.9L395 T396 G398 F399 F418 M420V380-L395 HydrophobicContact CG2-CB 4.07Å; V380-L395 HydrophobicContact CG2-CD1 4.38Å; V380-T396 WeakPolarHBondContact CB-O 3.47Å; V380-G398 PolarHBondContact O-N 3.47Å; V380-F399 HydrophobicContact CB-CB 4.24Å; V380-F399 HydrophobicContact CG2-CB 4.07Å; V380-F399 HydrophobicContact CG2-CD1 4.28Å; V380-F399 PolarHBondContact N-O 2.83Å; V380-F418 HydrophobicContact CB-CE2 4.25Å; V380-F418 HydrophobicContact CG1-CD2 3.97Å; V380-F418 HydrophobicContact CG1-CE2 3.44Å; V380-F418 VanDerWaalsContact CG1-CE2 3.44Å; V380-F418 HydrophobicContact CG1-CZ 4.14Å; V380-F418 HydrophobicContact CG2-CE2 3.71Å; V380-F418 HydrophobicContact CG2-CZ 3.73Å; V380-M420 HydrophobicContact CG2-CB 4.42Å; V380-M420 HydrophobicContact CG2-CG 4.23Å
381V97.3Very high93.2Very high7 Ų736.7 Ų36.74%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-100.4-16-177.4-60.50000113.5K21 M25 I294 L379 V419 F421K21-V381 PolarHBondContact NZ-O 3.15Å; M25-V381 HydrophobicContact CE-CB 4.37Å; M25-V381 WeakPolarHBondContact CE-O 3.48Å; I294-V381 HydrophobicContact CD1-CG1 4.34Å; L379-V381 HydrophobicContact CD2-CG1 3.66Å; L379-V381 HydrophobicContact CG-CG1 3.78Å; V381-V419 HydrophobicContact CG2-CB 3.69Å; V381-V419 HydrophobicContact CG2-CG1 3.52Å; V381-V419 WeakPolarHBondContact CG2-O 3.24Å; V381-V419 PolarHBondContact N-O 2.94Å; V381-F421 HydrophobicContact CG1-CD2 3.85Å; V381-F421 HydrophobicContact CG1-CE2 4.26Å; V381-F421 HydrophobicContact CG2-CD2 3.95Å; V381-F421 HydrophobicContact CG2-CE2 3.85Å
382E95.6Very high92.8Very high101 Ų10139.2 Ų39.247%0.47222%0.222SC..EExtended strand (participates in β ladder)trans-155.8145.4179.5-169.1175.1164.900111.4V419E382-V419 HydrophobicContact CB-CB 4.02Å; E382-V419 HydrophobicContact CB-CG2 4.07Å; E382-V419 PolarHBondContact N-O 3.49Å; E382-V419 PolarHBondContact O-N 3.37Å
383G95.4Very high92.6Very high24 Ų2440.1 Ų40.125%0.24723%0.225CC..SBendtrans79.4-159.9168.300000114.6S397 P417G383-S397 PolarHBondContact O-N 2.9Å; G383-P417 WeakPolarHBondContact CA-O 3.35Å
384C96Very high92.5Very high26 Ų2642.4 Ų42.418%0.17623%0.231CC..EExtended strand (participates in β ladder)trans-151.6136.5-175.6178.40000110.2K394 L395 T396C384-K394 WeakPolarHBondContact SG-CE 3.03Å; C384-L395 CarbonylContact C-O 3.56Å; C384-L395 VanDerWaalsContact CA-O 3.24Å; C384-L395 WeakPolarHBondContact CA-O 3.38Å; C384-L395 PolarHBondContact SG-O 2.69Å; C384-T396 HydrophobicContact CB-CG2 4.29Å
385A96.9Very high92.4Very high2 Ų242.3 Ų42.32%0.01723%0.23CC..EExtended strand (participates in β ladder)trans-138.3149.5174.600000111.3V387 L395 I411 T412 V413 F418A385-V387 HydrophobicContact CB-CG2 4.46Å; A385-L395 PolarHBondContact N-O 3.39Å; A385-L395 PolarHBondContact O-N 2.6Å; A385-I411 HydrophobicContact CB-CG2 3.65Å; A385-T412 WeakPolarHBondContact CA-O 3.47Å; A385-V413 HydrophobicContact CB-CG2 4.07Å; A385-F418 HydrophobicContact CB-CB 4.43Å; A385-F418 HydrophobicContact CB-CD1 4.19Å; A385-F418 HydrophobicContact CB-CD2 3.56Å; A385-F418 HydrophobicContact CB-CE1 4.31Å; A385-F418 HydrophobicContact CB-CE2 3.68Å; A385-F418 HydrophobicContact CB-CG 3.81Å; A385-F418 HydrophobicContact CB-CZ 4.06Å
386D95.9Very high92.3Very high34 Ų3444.7 Ų44.718%0.18224%0.244CC..EExtended strand (participates in β ladder)trans-88.1127.4163-63.1-39.6000107.6T392 T412 K414D386-T392 HydrophobicContact CB-CG2 3.89Å; D386-T412 PolarHBondContact N-O 3.16Å; D386-T412 PolarHBondContact O-N 2.94Å; D386-K414 VanDerWaalsContact OD2-CE 3.25Å; D386-K414 WeakPolarHBondContact OD2-CE 3.37Å; D386-K414 IonicContact OD2-NZ 2.66Å; D386-K414 PolarHBondContact OD2-NZ 2.94Å
387V93.8Very high92.2Very high2 Ų246.1 Ų46.11%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-117.3119.3-179.4-178.30000108.9M1 A385 T392 Q393 L395 L409 K410 I411M1-V387 HydrophobicContact CE-CG1 3.99Å; A385-V387 HydrophobicContact CB-CG2 4.46Å; V387-T392 WeakPolarHBondContact O-CA 3.34Å; V387-Q393 PolarHBondContact N-O 3.42Å; V387-Q393 PolarHBondContact O-N 2.99Å; V387-L395 HydrophobicContact CB-CD1 4.26Å; V387-L395 HydrophobicContact CB-CG 4.25Å; V387-L395 HydrophobicContact CG2-CD1 3.54Å; V387-L395 HydrophobicContact CG2-CG 3.71Å; V387-L409 HydrophobicContact CG1-CB 4Å; V387-L409 HydrophobicContact CG1-CD1 4.29Å; V387-L409 HydrophobicContact CG1-CD2 3.77Å; V387-L409 HydrophobicContact CG1-CG 4.25Å; V387-K410 WeakPolarHBondContact CA-O 3.47Å; V387-I411 HydrophobicContact CG2-CG1 4.3Å
388A86.1Confident92.1Very high36 Ų3646.3 Ų46.330%0.29826%0.257SS..EExtended strand (participates in β ladder)trans-97.5123.917900000110.5K410A388-K410 HydrophobicContact CB-CB 4.43Å; A388-K410 PolarHBondContact N-O 3.02Å
389E76.3Confident92Very high57 Ų5746.4 Ų46.427%0.26626%0.257SS..SBendtrans-116.5-103.7165.7-67.1175.3-164.300108.7M1 E391 M407 L409M1-E389 WeakPolarHBondContact CA-OE1 3.5Å; M1-E389 VanDerWaalsContact CB-OE1 3.25Å; M1-E389 WeakPolarHBondContact CB-OE1 3.47Å; M1-E389 PolarHBondContact N-OE1 2.92Å; M1-E389 PolarHBondContact N-OE2 2.9Å; E389-E391 PolarHBondContact N-O 2.84Å; E389-M407 HydrophobicContact CB-CE 4.39Å; E389-M407 HydrophobicContact CG-CE 4.28Å; E389-M407 HydrophobicContact CG-SD 3.92Å; E389-M407 WeakPolarHBondContact OE2-CE 3.31Å; E389-M407 VanDerWaalsContact OE2-SD 3.36Å; E389-L409 HydrophobicContact CG-CD2 3.59Å; E389-L409 WeakPolarHBondContact OE1-CD2 3.34Å
390T72.5Confident92Very high139 Ų13947 Ų4785%0.85326%0.26SS*.SBendtrans-87.8-36.3164.149.70000111.7
391E79.2Confident91.9Very high163 Ų16347 Ų4776%0.76226%0.26SS*.SBendtrans-122.8152.6172.3-66.8-175.3176.500109.4E389 Q393E389-E391 PolarHBondContact N-O 2.84Å; E391-Q393 PolarHBondContact O-N 2.92Å
392T85.3Confident91.9Very high102 Ų10246.7 Ų46.763%0.62626%0.258SS*.EExtended strand (participates in β ladder)trans-78.1115.7175.9-58.60000109.3D386 V387D386-T392 HydrophobicContact CB-CG2 3.89Å; V387-T392 WeakPolarHBondContact O-CA 3.34Å
393Q91.8Very high92Very high55 Ų5542 Ų4226%0.25724%0.236SC..EExtended strand (participates in β ladder)trans-104133.4173-171179.2800110.1V387 E391 L395V387-Q393 PolarHBondContact N-O 3.42Å; V387-Q393 PolarHBondContact O-N 2.99Å; E391-Q393 PolarHBondContact O-N 2.92Å; Q393-L395 HydrophobicContact CG-CD2 3.91Å
394K93.6Very high92Very high137 Ų13741.6 Ų41.660%0.59623%0.229SC*.EExtended strand (participates in β ladder)trans-86.2121.3172.3-170.7176.1-177.4-177.90110C384 T396C384-K394 WeakPolarHBondContact SG-CE 3.03Å; K394-T396 HydrophobicContact CG-CG2 4.46Å
395L95.3Very high92Very high0 Ų041 Ų410%023%0.226CC..EExtended strand (participates in β ladder)trans-103.7135.3173.9-51.8-169.2000109.9M1 V380 C384 A385 V387 Q393 F399 F418M1-L395 HydrophobicContact CE-CD1 3.84Å; M1-L395 HydrophobicContact SD-CD1 4.12Å; V380-L395 HydrophobicContact CG2-CB 4.07Å; V380-L395 HydrophobicContact CG2-CD1 4.38Å; C384-L395 CarbonylContact C-O 3.56Å; C384-L395 VanDerWaalsContact CA-O 3.24Å; C384-L395 WeakPolarHBondContact CA-O 3.38Å; C384-L395 PolarHBondContact SG-O 2.69Å; A385-L395 PolarHBondContact N-O 3.39Å; A385-L395 PolarHBondContact O-N 2.6Å; V387-L395 HydrophobicContact CB-CD1 4.26Å; V387-L395 HydrophobicContact CB-CG 4.25Å; V387-L395 HydrophobicContact CG2-CD1 3.54Å; V387-L395 HydrophobicContact CG2-CG 3.71Å; Q393-L395 HydrophobicContact CG-CD2 3.91Å; L395-F399 HydrophobicContact CD1-CD1 4.25Å; L395-F399 HydrophobicContact CD1-CE1 4.27Å; L395-F399 HydrophobicContact CD2-CD1 3.81Å; L395-F399 HydrophobicContact CD2-CD2 3.9Å; L395-F399 HydrophobicContact CD2-CE1 3.66Å; L395-F399 HydrophobicContact CD2-CE2 3.75Å; L395-F399 HydrophobicContact CD2-CG 3.93Å; L395-F399 HydrophobicContact CD2-CZ 3.62Å; L395-F399 HydrophobicContact CG-CD1 4.45Å; L395-F418 HydrophobicContact CB-CE2 4.28Å
396T95.3Very high91.9Very high52 Ų5248.4 Ų48.432%0.31926%0.258SS..EExtended strand (participates in β ladder)trans-130.4161.4179.356.90000110.1V380 C384 K394 G398 F399V380-T396 WeakPolarHBondContact CB-O 3.47Å; C384-T396 HydrophobicContact CB-CG2 4.29Å; K394-T396 HydrophobicContact CG-CG2 4.46Å; T396-G398 PolarHBondContact O-N 2.91Å; T396-F399 WeakPolarHBondContact O-CB 3.38Å; T396-F399 PolarHBondContact O-N 3.02Å
397S95.8Very high91.9Very high32 Ų3249.3 Ų49.322%0.22426%0.262CS..THydrogen-bonded Turntrans-40.2134.4168.2-173.20000112.2M25 A28 G383 F399M25-S397 VanDerWaalsContact CE-OG 3.31Å; M25-S397 WeakPolarHBondContact CE-OG 3.21Å; A28-S397 WeakPolarHBondContact CB-O 3.36Å; G383-S397 PolarHBondContact O-N 2.9Å; S397-F399 VanDerWaalsContact C-N 3.29Å
398G96.7Very high91.9Very high4 Ų452.3 Ų52.34%0.04128%0.283CS..THydrogen-bonded Turntrans83.6-5.7-175.100000114.6M25 G29 V380 T396 I400M25-G398 WeakPolarHBondContact O-CA 3.43Å; M25-G398 PolarHBondContact SD-N 3.46Å; M25-G398 VanDerWaalsContact SD-N 3.42Å; G29-G398 WeakPolarHBondContact CA-O 3.31Å; V380-G398 PolarHBondContact O-N 3.47Å; T396-G398 PolarHBondContact O-N 2.91Å; G398-I400 PolarHBondContact O-N 3.34Å
399F97Very high92.2Very high1 Ų150.7 Ų50.70%0.00427%0.269CS..  trans-66.2130.7173178.7-89.2000110.7M1 R3 V378 L379 V380 L395 T396 S397M1-F399 HydrophobicContact SD-CE1 3.76Å; M1-F399 HydrophobicContact SD-CZ 4.26Å; R3-F399 HydrophobicContact CB-CE2 4.08Å; R3-F399 HydrophobicContact CB-CZ 4.47Å; R3-F399 HydrophobicContact CG-CD2 4.4Å; R3-F399 HydrophobicContact CG-CE2 3.87Å; V378-F399 HydrophobicContact CG2-CD1 4.47Å; V378-F399 HydrophobicContact CG2-CE1 4.08Å; L379-F399 WeakPolarHBondContact CA-O 3.35Å; V380-F399 HydrophobicContact CB-CB 4.24Å; V380-F399 HydrophobicContact CG2-CB 4.07Å; V380-F399 HydrophobicContact CG2-CD1 4.28Å; V380-F399 PolarHBondContact N-O 2.83Å; L395-F399 HydrophobicContact CD1-CD1 4.25Å; L395-F399 HydrophobicContact CD1-CE1 4.27Å; L395-F399 HydrophobicContact CD2-CD1 3.81Å; L395-F399 HydrophobicContact CD2-CD2 3.9Å; L395-F399 HydrophobicContact CD2-CE1 3.66Å; L395-F399 HydrophobicContact CD2-CE2 3.75Å; L395-F399 HydrophobicContact CD2-CG 3.93Å; L395-F399 HydrophobicContact CD2-CZ 3.62Å; L395-F399 HydrophobicContact CG-CD1 4.45Å; T396-F399 WeakPolarHBondContact O-CB 3.38Å; T396-F399 PolarHBondContact O-N 3.02Å; S397-F399 VanDerWaalsContact C-N 3.29Å
400I97.8Very high93.1Very high13 Ų1353.3 Ų53.37%0.06728%0.279CS..EExtended strand (participates in β ladder)trans-123.9132174.5-53.6171000107.5L4 A6 L44 M46 V378 L379 G398L4-I400 HydrophobicContact CB-CB 4.47Å; L4-I400 HydrophobicContact CB-CG2 4.01Å; L4-I400 HydrophobicContact CD1-CG2 4.34Å; L4-I400 PolarHBondContact N-O 2.91Å; A6-I400 HydrophobicContact CB-CD1 3.4Å; A6-I400 VanDerWaalsContact CB-CD1 3.4Å; L44-I400 HydrophobicContact CD2-CD1 4Å; L44-I400 HydrophobicContact CG-CD1 4.43Å; M46-I400 HydrophobicContact CB-CG2 4.41Å; M46-I400 HydrophobicContact CG-CD1 4.03Å; M46-I400 HydrophobicContact CG-CG2 3.81Å; M46-I400 HydrophobicContact SD-CD1 4.05Å; M46-I400 HydrophobicContact SD-CG1 4.19Å; M46-I400 HydrophobicContact SD-CG2 4.01Å; V378-I400 WeakPolarHBondContact O-CA 3.38Å; L379-I400 HydrophobicContact CD1-CD1 4.46Å; L379-I400 HydrophobicContact CD1-CG1 3.77Å; G398-I400 PolarHBondContact O-N 3.34Å
401G96.8Very high94.2Very high0 Ų046.7 Ų46.70%024%0.239CC..EExtended strand (participates in β ladder)trans-148.1156.9-177.500000114.3I2 I377 V378I2-G401 CarbonylContact O-C 3.57Å; I2-G401 WeakPolarHBondContact O-CA 3.33Å; I377-G401 WeakPolarHBondContact CA-O 3.25Å; V378-G401 PolarHBondContact N-O 2.65Å; V378-G401 PolarHBondContact O-N 3.39Å
402L97.7Very high95.1Very high0 Ų040.6 Ų40.60%021%0.213CC..EExtended strand (participates in β ladder)trans-90.4120.8162.7178.274.1000108.3M1 I2 L4 L63 W66 L67 C375 I377M1-L402 WeakPolarHBondContact CG-O 3.33Å; I2-L402 HydrophobicContact CB-CB 4.29Å; I2-L402 HydrophobicContact CD1-CD2 4.41Å; I2-L402 PolarHBondContact N-O 3.35Å; I2-L402 PolarHBondContact O-N 3.13Å; L4-L402 HydrophobicContact CD1-CB 4.22Å; L4-L402 HydrophobicContact CD2-CB 4.33Å; L4-L402 HydrophobicContact CG-CB 4.4Å; L63-L402 HydrophobicContact CD1-CD2 4.23Å; W66-L402 HydrophobicContact CE3-CD2 4.04Å; W66-L402 HydrophobicContact CH2-CD2 4.46Å; W66-L402 HydrophobicContact CZ3-CD2 3.6Å; L67-L402 HydrophobicContact CD2-CD1 4.01Å; L67-L402 HydrophobicContact CD2-CD2 3.63Å; L67-L402 HydrophobicContact CD2-CG 4.49Å; C375-L402 HydrophobicContact CB-CD1 4Å; I377-L402 HydrophobicContact CD1-CD1 4.12Å
403L96.7Very high95.6Very high4 Ų435.9 Ų35.92%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-97.8118.6168.7177.265.8000108.6M1 L369 C375 S376 V378 M407 L409M1-L403 HydrophobicContact CE-CD1 4.45Å; M1-L403 HydrophobicContact CG-CB 4.32Å; M1-L403 HydrophobicContact CG-CD1 4.31Å; L369-L403 HydrophobicContact CD2-CD2 4.48Å; C375-L403 VanDerWaalsContact CA-O 3.31Å; C375-L403 WeakPolarHBondContact CA-O 3.49Å; S376-L403 PolarHBondContact N-O 2.57Å; S376-L403 PolarHBondContact O-N 3.02Å; S376-L403 WeakPolarHBondContact OG-CB 3.39Å; V378-L403 HydrophobicContact CG1-CB 4.13Å; V378-L403 HydrophobicContact CG1-CD2 4.49Å; L403-M407 HydrophobicContact CD1-CB 4.19Å; L403-M407 HydrophobicContact CD1-CG 3.99Å; L403-M407 HydrophobicContact CD1-SD 3.89Å; L403-L409 HydrophobicContact CD1-CD1 3.76Å; L403-L409 HydrophobicContact CD1-CD2 3.61Å; L403-L409 HydrophobicContact CD1-CG 3.73Å; L403-L409 HydrophobicContact CD2-CD1 3.76Å; L403-L409 HydrophobicContact CD2-CG 4.16Å; L403-L409 HydrophobicContact CG-CD1 4.39Å
404P96.1Very high95.7Very high14 Ų1439.2 Ų39.29%0.09120%0.198CC..PPolyproline II helixtrans-63.4153.8-179.4-17.730.3000112.6Y73 M407Y73-P404 HydrophobicContact CD1-CB 3.62Å; Y73-P404 HydrophobicContact CD1-CG 3.46Å; Y73-P404 VanDerWaalsContact CD1-CG 3.46Å; Y73-P404 HydrophobicContact CE1-CB 4.21Å; Y73-P404 HydrophobicContact CE1-CG 3.69Å; Y73-P404 HydrophobicContact CG-CB 4.23Å; P404-M407 HydrophobicContact CB-CB 4.46Å; P404-M407 HydrophobicContact CG-CE 4.48Å; P404-M407 HydrophobicContact CG-SD 3.98Å; P404-M407 WeakPolarHBondContact O-CB 3.38Å
405A96.2Very high95.5Very high13 Ų1337.1 Ų37.111%0.10720%0.196CC..THydrogen-bonded Turntrans-55.5148.2167.200000111.2Y73 T374 M407Y73-A405 WeakPolarHBondContact O-CB 3.09Å; Y73-A405 PolarHBondContact O-N 3.06Å; T374-A405 WeakPolarHBondContact O-CA 3Å; A405-M407 PolarHBondContact O-N 3.08Å; A405-M407 VanDerWaalsContact O-N 3.14Å
406K95Very high95.4Very high159 Ų15939 Ų3969%0.69121%0.212SC*.THydrogen-bonded Turntrans61.516.2176.5-55.3179.2-178.6177.30114.4L372L372-K406 WeakPolarHBondContact O-CA 3.38Å; L372-K406 PolarHBondContact O-N 3.04Å
407M94.2Very high95.3Very high53 Ų5339.1 Ų39.126%0.26121%0.214SC..  trans-101.6122.1175.4-177.3171.4-95.600110.7A371 E389 L403 P404 A405 L409A371-M407 WeakPolarHBondContact CA-O 3.38Å; E389-M407 HydrophobicContact CB-CE 4.39Å; E389-M407 HydrophobicContact CG-CE 4.28Å; E389-M407 HydrophobicContact CG-SD 3.92Å; E389-M407 WeakPolarHBondContact OE2-CE 3.31Å; E389-M407 VanDerWaalsContact OE2-SD 3.36Å; L403-M407 HydrophobicContact CD1-CB 4.19Å; L403-M407 HydrophobicContact CD1-CG 3.99Å; L403-M407 HydrophobicContact CD1-SD 3.89Å; P404-M407 HydrophobicContact CB-CB 4.46Å; P404-M407 HydrophobicContact CG-CE 4.48Å; P404-M407 HydrophobicContact CG-SD 3.98Å; P404-M407 WeakPolarHBondContact O-CB 3.38Å; A405-M407 PolarHBondContact O-N 3.08Å; A405-M407 VanDerWaalsContact O-N 3.14Å; M407-L409 HydrophobicContact CG-CD2 4.39Å
408S93.6Very high95.4Very high65 Ų6537.6 Ų37.646%0.45520%0.203SC..  trans-88.3151.6168.4600000110.6L369L369-S408 VanDerWaalsContact O-CA 3.31Å; L369-S408 WeakPolarHBondContact O-CA 3.33Å; L369-S408 WeakPolarHBondContact O-CB 3.2Å
409L93.5Very high95.4Very high1 Ų137.6 Ų37.61%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-120129.3177.5-61.5178000111.6M1 V368 L369 V387 E389 L403 M407 I411M1-L409 HydrophobicContact CE-CD1 3.34Å; M1-L409 HydrophobicContact CE-CD2 3.71Å; M1-L409 HydrophobicContact CE-CG 4.16Å; V368-L409 CarbonylContact C-O 3.58Å; V368-L409 WeakPolarHBondContact CA-O 3.48Å; L369-L409 HydrophobicContact CB-CB 4.26Å; L369-L409 HydrophobicContact CD2-CD1 4.24Å; L369-L409 PolarHBondContact N-O 2.76Å; L369-L409 PolarHBondContact O-N 3Å; V387-L409 HydrophobicContact CG1-CB 4Å; V387-L409 HydrophobicContact CG1-CD1 4.29Å; V387-L409 HydrophobicContact CG1-CD2 3.77Å; V387-L409 HydrophobicContact CG1-CG 4.25Å; E389-L409 HydrophobicContact CG-CD2 3.59Å; E389-L409 WeakPolarHBondContact OE1-CD2 3.34Å; L403-L409 HydrophobicContact CD1-CD1 3.76Å; L403-L409 HydrophobicContact CD1-CD2 3.61Å; L403-L409 HydrophobicContact CD1-CG 3.73Å; L403-L409 HydrophobicContact CD2-CD1 3.76Å; L403-L409 HydrophobicContact CD2-CG 4.16Å; L403-L409 HydrophobicContact CG-CD1 4.39Å; M407-L409 HydrophobicContact CG-CD2 4.39Å; L409-I411 HydrophobicContact CB-CG1 4.38Å
410K95.1Very high95.5Very high112 Ų11237.6 Ų37.649%0.48720%0.202SC..EExtended strand (participates in β ladder)trans-92.5110.7166-176.2179.1178.8-179.60109.6V368 V387 A388V368-K410 HydrophobicContact CG2-CG 4.45Å; V387-K410 WeakPolarHBondContact CA-O 3.47Å; A388-K410 HydrophobicContact CB-CB 4.43Å; A388-K410 PolarHBondContact N-O 3.02Å
411I95.9Very high95.5Very high0 Ų037.1 Ų37.10%020%0.199CC..EExtended strand (participates in β ladder)trans-98.3125.1-179.1-55.2174.9000108.7I359 V361 N366 Y367 L369 A385 V387 L409 V413 F418 M420I359-I411 HydrophobicContact CG2-CD1 4.09Å; V361-I411 HydrophobicContact CG2-CG2 4.35Å; N366-I411 CarbonylContact C-O 3.57Å; N366-I411 WeakPolarHBondContact CA-O 3.29Å; Y367-I411 HydrophobicContact CD1-CD1 4.35Å; Y367-I411 PolarHBondContact N-O 2.89Å; Y367-I411 PolarHBondContact O-N 2.84Å; L369-I411 HydrophobicContact CB-CD1 4.4Å; A385-I411 HydrophobicContact CB-CG2 3.65Å; V387-I411 HydrophobicContact CG2-CG1 4.3Å; L409-I411 HydrophobicContact CB-CG1 4.38Å; I411-V413 HydrophobicContact CG2-CG2 4.09Å; I411-F418 HydrophobicContact CD1-CE1 4.33Å; I411-F418 HydrophobicContact CG2-CD1 4.01Å; I411-F418 HydrophobicContact CG2-CE1 4.02Å; I411-M420 HydrophobicContact CD1-CE 4.22Å
412T96.9Very high95.6Very high36 Ų3637.2 Ų37.222%0.22120%0.2CC..EExtended strand (participates in β ladder)trans-121.1117178.4-57.10000109.9N366 A385 D386N366-T412 WeakPolarHBondContact OD1-CG2 3.16Å; N366-T412 PolarHBondContact OD1-OG1 3.34Å; A385-T412 WeakPolarHBondContact CA-O 3.47Å; D386-T412 PolarHBondContact N-O 3.16Å; D386-T412 PolarHBondContact O-N 2.94Å
413V97.1Very high95.7Very high2 Ų237.2 Ų37.21%0.01220%0.2CC..  trans-110.2124-175.1-176.60000110.7V361 P362 K364 E365 A385 I411 A416 F418V361-V413 HydrophobicContact CB-CG2 3.68Å; V361-V413 HydrophobicContact CG1-CB 4.15Å; V361-V413 HydrophobicContact CG1-CG2 3.48Å; V361-V413 VanDerWaalsContact CG1-CG2 3.48Å; P362-V413 WeakPolarHBondContact O-CB 3.41Å; P362-V413 WeakPolarHBondContact O-CG1 3.25Å; K364-V413 WeakPolarHBondContact CA-O 3.34Å; K364-V413 PolarHBondContact N-O 2.83Å; E365-V413 PolarHBondContact N-O 2.8Å; E365-V413 PolarHBondContact O-N 3Å; A385-V413 HydrophobicContact CB-CG2 4.07Å; I411-V413 HydrophobicContact CG2-CG2 4.09Å; V413-A416 WeakPolarHBondContact CG1-O 3.41Å; V413-F418 HydrophobicContact CG1-CB 4.12Å; V413-F418 HydrophobicContact CG2-CB 3.61Å; V413-F418 HydrophobicContact CG2-CG 4.28Å
414K93Very high95.7Very high126 Ų12637.9 Ų37.955%0.54820%0.203SC..  trans-104.7-45.8-172.8-68.9173.5176.7164.10114.2R363 D386R363-K414 WeakPolarHBondContact CG-O 3.3Å; D386-K414 VanDerWaalsContact OD2-CE 3.25Å; D386-K414 WeakPolarHBondContact OD2-CE 3.37Å; D386-K414 IonicContact OD2-NZ 2.66Å; D386-K414 PolarHBondContact OD2-NZ 2.94Å
415T90.3Very high95.8Very high93 Ų9337.3 Ų37.357%0.57120%0.199SC*.SBendtrans-111-45.8-159.549.30000114.6R363R363-T415 WeakPolarHBondContact CD-O 3.47Å; R363-T415 WeakPolarHBondContact CG-O 3.33Å; R363-T415 PolarHBondContact NE-O 2.94Å
416A92.5Very high95.7Very high39 Ų3939 Ų3932%0.32220%0.204SC..SBendtrans-142.4161.5-176.900000109.3V413 F418V413-A416 WeakPolarHBondContact CG1-O 3.41Å; A416-F418 PolarHBondContact O-N 3.5Å
417P93.8Very high95.3Very high55 Ų5538.6 Ų38.636%0.35721%0.21SC..  trans-50.3141.3172-25.235.3000111.5G383G383-P417 WeakPolarHBondContact CA-O 3.35Å
418F97.3Very high95.3Very high0 Ų037.9 Ų37.90%021%0.207CC..EExtended strand (participates in β ladder)trans-114.1126178.5171.7-96.8000108.8E360 V361 V380 A385 L395 I411 V413 A416 M420E360-F418 WeakPolarHBondContact CA-O 3.34Å; V361-F418 PolarHBondContact N-O 3.46Å; V361-F418 PolarHBondContact O-N 3.05Å; V380-F418 HydrophobicContact CB-CE2 4.25Å; V380-F418 HydrophobicContact CG1-CD2 3.97Å; V380-F418 HydrophobicContact CG1-CE2 3.44Å; V380-F418 VanDerWaalsContact CG1-CE2 3.44Å; V380-F418 HydrophobicContact CG1-CZ 4.14Å; V380-F418 HydrophobicContact CG2-CE2 3.71Å; V380-F418 HydrophobicContact CG2-CZ 3.73Å; A385-F418 HydrophobicContact CB-CB 4.43Å; A385-F418 HydrophobicContact CB-CD1 4.19Å; A385-F418 HydrophobicContact CB-CD2 3.56Å; A385-F418 HydrophobicContact CB-CE1 4.31Å; A385-F418 HydrophobicContact CB-CE2 3.68Å; A385-F418 HydrophobicContact CB-CG 3.81Å; A385-F418 HydrophobicContact CB-CZ 4.06Å; L395-F418 HydrophobicContact CB-CE2 4.28Å; I411-F418 HydrophobicContact CD1-CE1 4.33Å; I411-F418 HydrophobicContact CG2-CD1 4.01Å; I411-F418 HydrophobicContact CG2-CE1 4.02Å; V413-F418 HydrophobicContact CG1-CB 4.12Å; V413-F418 HydrophobicContact CG2-CB 3.61Å; V413-F418 HydrophobicContact CG2-CG 4.28Å; A416-F418 PolarHBondContact O-N 3.5Å; F418-M420 HydrophobicContact CD1-CB 4.43Å; F418-M420 HydrophobicContact CE1-CB 3.54Å; F418-M420 HydrophobicContact CE1-CG 4.49Å; F418-M420 HydrophobicContact CE1-SD 4.32Å; F418-M420 HydrophobicContact CZ-CB 3.74Å; F418-M420 HydrophobicContact CZ-CG 4.4Å; F418-M420 HydrophobicContact CZ-SD 4.15Å
419V97.7Very high95.4Very high4 Ų436.5 Ų36.52%0.02419%0.194CC..EExtended strand (participates in β ladder)trans-122.8120.6178.5-171.90000109.4R358 I359 E360 V381 E382 F421R358-V419 HydrophobicContact CG-CG1 4.27Å; I359-V419 WeakPolarHBondContact O-CA 3.44Å; E360-V419 HydrophobicContact CG-CG2 4.16Å; V381-V419 HydrophobicContact CG2-CB 3.69Å; V381-V419 HydrophobicContact CG2-CG1 3.52Å; V381-V419 WeakPolarHBondContact CG2-O 3.24Å; V381-V419 PolarHBondContact N-O 2.94Å; E382-V419 HydrophobicContact CB-CB 4.02Å; E382-V419 HydrophobicContact CB-CG2 4.07Å; E382-V419 PolarHBondContact N-O 3.49Å; E382-V419 PolarHBondContact O-N 3.37Å; V419-F421 HydrophobicContact CG1-CE2 4.14Å
420M98Very high95.5Very high1 Ų138.4 Ų38.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-127.1135.4177.2-178.3-179.575.900109.8I359 L369 V378 L379 V380 I411 F418I359-M420 HydrophobicContact CB-CB 4.49Å; I359-M420 HydrophobicContact CB-CE 4.45Å; I359-M420 HydrophobicContact CD1-CE 3.94Å; I359-M420 HydrophobicContact CG1-CE 4.23Å; I359-M420 PolarHBondContact N-O 3.46Å; I359-M420 PolarHBondContact O-N 3.5Å; L369-M420 HydrophobicContact CD2-CE 3.9Å; V378-M420 HydrophobicContact CB-CG 4.2Å; V378-M420 HydrophobicContact CB-SD 3.93Å; V378-M420 HydrophobicContact CG1-CE 4.38Å; V378-M420 HydrophobicContact CG1-SD 4.15Å; V378-M420 HydrophobicContact CG2-SD 4.38Å; L379-M420 CarbonylContact O-C 3.46Å; L379-M420 VanDerWaalsContact O-CA 3.3Å; L379-M420 WeakPolarHBondContact O-CA 3.48Å; V380-M420 HydrophobicContact CG2-CB 4.42Å; V380-M420 HydrophobicContact CG2-CG 4.23Å; I411-M420 HydrophobicContact CD1-CE 4.22Å; F418-M420 HydrophobicContact CD1-CB 4.43Å; F418-M420 HydrophobicContact CE1-CB 3.54Å; F418-M420 HydrophobicContact CE1-CG 4.49Å; F418-M420 HydrophobicContact CE1-SD 4.32Å; F418-M420 HydrophobicContact CZ-CB 3.74Å; F418-M420 HydrophobicContact CZ-CG 4.4Å; F418-M420 HydrophobicContact CZ-SD 4.15Å
421F98.7Very high95.5Very high2 Ų234.1 Ų34.11%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-100.6143.9167.1-74.1-97.7000109.8F95 I137 L139 I294 V356 H357 R358 V378 L379 V381 V419F95-F421 HydrophobicContact CE1-CB 4.4Å; F95-F421 HydrophobicContact CZ-CB 3.75Å; I137-F421 HydrophobicContact CB-CE1 4.48Å; I137-F421 HydrophobicContact CD1-CD1 4.37Å; I137-F421 HydrophobicContact CD1-CE1 3.96Å; I137-F421 HydrophobicContact CG2-CE1 4.1Å; I137-F421 HydrophobicContact CG2-CZ 4.38Å; L139-F421 HydrophobicContact CD2-CE2 3.78Å; L139-F421 HydrophobicContact CD2-CZ 4.08Å; I294-F421 HydrophobicContact CD1-CD2 4.31Å; I294-F421 HydrophobicContact CD1-CG 4.4Å; I294-F421 HydrophobicContact CG1-CD1 4.08Å; I294-F421 HydrophobicContact CG1-CD2 4.03Å; I294-F421 HydrophobicContact CG1-CE1 4.04Å; I294-F421 HydrophobicContact CG1-CE2 4Å; I294-F421 HydrophobicContact CG1-CG 4.06Å; I294-F421 HydrophobicContact CG1-CZ 3.99Å; I294-F421 HydrophobicContact CG2-CD1 4.44Å; V356-F421 HydrophobicContact CG1-CD1 3.75Å; H357-F421 CarbonylContact O-C 3.21Å; H357-F421 VanDerWaalsContact O-CA 3.26Å; H357-F421 WeakPolarHBondContact O-CA 3.47Å; R358-F421 HydrophobicContact CB-CD1 4.04Å; R358-F421 HydrophobicContact CB-CE1 3.76Å; R358-F421 HydrophobicContact CB-CZ 4.19Å; R358-F421 HydrophobicContact CG-CD1 4.43Å; R358-F421 HydrophobicContact CG-CE1 3.92Å; R358-F421 HydrophobicContact CG-CE2 4.21Å; R358-F421 HydrophobicContact CG-CZ 3.81Å; V378-F421 CarbonylContact C-O 3.57Å; V378-F421 VanDerWaalsContact CA-O 3.25Å; V378-F421 WeakPolarHBondContact CA-O 3.36Å; L379-F421 PolarHBondContact N-O 3.01Å; L379-F421 PolarHBondContact O-N 2.84Å; V381-F421 HydrophobicContact CG1-CD2 3.85Å; V381-F421 HydrophobicContact CG1-CE2 4.26Å; V381-F421 HydrophobicContact CG2-CD2 3.95Å; V381-F421 HydrophobicContact CG2-CE2 3.85Å; V419-F421 HydrophobicContact CG1-CE2 4.14Å
422Q98.3Very high95.5Very high2 Ų236.3 Ų36.31%0.00920%0.2CC..EExtended strand (participates in β ladder)trans-131.3116177.3174.2-168.72600108.4V356 H357 I359 L372 S376 I377 V378 F424V356-Q422 CarbonylContact C-O 3.51Å; V356-Q422 WeakPolarHBondContact CA-O 3.44Å; H357-Q422 HydrophobicContact CB-CB 4.16Å; H357-Q422 PolarHBondContact N-O 3.47Å; H357-Q422 PolarHBondContact ND1-OE1 3.34Å; H357-Q422 PolarHBondContact O-N 2.82Å; I359-Q422 HydrophobicContact CD1-CB 4.05Å; L372-Q422 VanDerWaalsContact CD1-NE2 3.3Å; S376-Q422 WeakPolarHBondContact OG-CG 3.19Å; S376-Q422 PolarHBondContact OG-NE2 3.04Å; I377-Q422 CarbonylContact O-C 3.53Å; I377-Q422 WeakPolarHBondContact O-CA 3.12Å; V378-Q422 HydrophobicContact CG1-CB 4.04Å; V378-Q422 HydrophobicContact CG1-CG 4.01Å; Q422-F424 HydrophobicContact CG-CD1 4.31Å
423S98.7Very high95.4Very high0 Ų036.3 Ų36.30%020%0.198CC..EExtended strand (participates in β ladder)trans-107.3138176.6-176.40000111.2F93 C296 C355 S376 I377F93-S423 WeakPolarHBondContact CD2-OG 3.43Å; F93-S423 WeakPolarHBondContact CE2-OG 3.42Å; C296-S423 PolarHBondContact SG-OG 3.46Å; C355-S423 WeakPolarHBondContact O-CA 3.26Å; S376-S423 CarbonylContact C-O 3.6Å; S376-S423 VanDerWaalsContact CA-O 3.28Å; S376-S423 WeakPolarHBondContact CA-O 3.26Å; S376-S423 VanDerWaalsContact CB-O 3.31Å; S376-S423 WeakPolarHBondContact CB-O 3.33Å; I377-S423 PolarHBondContact N-O 3.36Å; I377-S423 PolarHBondContact O-N 2.99Å
424F98.3Very high95.3Very high18 Ų1838.7 Ų38.78%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-156155.3-175.559.5-83.8000112.3F354 C355 H357 L372 T374 Q422F354-F424 CarbonylContact C-O 3.48Å; F354-F424 VanDerWaalsContact CA-O 3.23Å; F354-F424 WeakPolarHBondContact CA-O 3.39Å; C355-F424 HydrophobicContact CB-CD2 4.34Å; C355-F424 HydrophobicContact CB-CE1 4.01Å; C355-F424 HydrophobicContact CB-CE2 3.74Å; C355-F424 HydrophobicContact CB-CZ 3.56Å; C355-F424 PolarHBondContact N-O 2.89Å; C355-F424 PolarHBondContact O-N 3.21Å; C355-F424 VanDerWaalsContact O-N 3.09Å; H357-F424 AromaticContact CD2-CE1 3.65Å; H357-F424 AromaticContact CD2-CZ 3.89Å; H357-F424 AromaticContact CE1-CE1 3.6Å; H357-F424 AromaticContact CE1-CZ 3.57Å; H357-F424 AromaticContact CG-CE1 3.71Å; H357-F424 AromaticContact ND1-CE1 3.67Å; H357-F424 AromaticContact NE2-CE1 3.6Å; H357-F424 AromaticContact NE2-CZ 3.4Å; H357-F424 WeakPolarHBondContact NE2-CZ 3.44Å; L372-F424 HydrophobicContact CD1-CB 4.2Å; L372-F424 HydrophobicContact CD1-CD1 3.5Å; L372-F424 HydrophobicContact CD1-CD2 3.8Å; L372-F424 HydrophobicContact CD1-CE1 3.69Å; L372-F424 HydrophobicContact CD1-CE2 3.96Å; L372-F424 HydrophobicContact CD1-CG 3.56Å; L372-F424 HydrophobicContact CD1-CZ 3.91Å; L372-F424 HydrophobicContact CD2-CZ 4.42Å; T374-F424 HydrophobicContact CG2-CB 3.87Å; T374-F424 HydrophobicContact CG2-CD2 3.83Å; T374-F424 HydrophobicContact CG2-CG 4.23Å; Q422-F424 HydrophobicContact CG-CD1 4.31Å
425A97.4Very high95.5Very high3 Ų332 Ų323%0.02519%0.186CC..  trans-74.6142.4173.500000110.4L78 P92 F93 E353 T374L78-A425 HydrophobicContact CD2-CB 3.79Å; L78-A425 HydrophobicContact CG-CB 4.44Å; P92-A425 HydrophobicContact CG-CB 3.54Å; F93-A425 HydrophobicContact CD1-CB 4.31Å; F93-A425 HydrophobicContact CE1-CB 4.27Å; E353-A425 WeakPolarHBondContact O-CA 3.25Å; T374-A425 WeakPolarHBondContact CG2-O 2.93Å
426K95Very high95.9Very high48 Ų4826.9 Ų26.921%0.20915%0.154CC..  trans-73.2154.6178.4-55.6-171.3-166.2177.60110.8N77 D348 P349 V351 K352 F354 C355N77-K426 PolarHBondContact ND2-O 3.2Å; D348-K426 VanDerWaalsContact OD1-CE 3.31Å; D348-K426 WeakPolarHBondContact OD1-CE 3.44Å; D348-K426 IonicContact OD1-NZ 3.96Å; D348-K426 PolarHBondContact OD1-NZ 3.37Å; P349-K426 PolarHBondContact O-NZ 3.49Å; V351-K426 WeakPolarHBondContact O-CD 3.07Å; V351-K426 WeakPolarHBondContact O-CE 3.49Å; V351-K426 PolarHBondContact O-NZ 2.66Å; K352-K426 WeakPolarHBondContact O-CB 3.43Å; K352-K426 PolarHBondContact O-N 3.42Å; F354-K426 WeakPolarHBondContact O-CE 3.14Å; C355-K426 HydrophobicContact CB-CG 4.13Å
427D85.3Confident96.2Very high151 Ų15125.8 Ų25.881%0.80714%0.139SC*.  trans-64.60174.6-77.9-13.8000112.1N373N373-D427 PolarHBondContact ND2-OD2 3.21Å

Retrieved 427 of 427 residues in 444.3 ms (Link to these results)

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