A0A5K1VG20_MACMU Loading...

Fermitin family homolog 3 short form

AlphaFold DB , UniProt , Accession A0A5K1VG20, Species MACMU (Macaca mulatta, Rhesus macaque), Gene FERMT3, Length 663 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
1M42.7Very low59.6Low232 Ų23298.6 Ų98.6100%1.14360%0.602SS**  0120.30-79.7-147.7-81.700109G3M1-G3 PolarHBondContact O-N 3.41Å
2A49.1Very low60.2Low109 Ų10999.7 Ų99.790%0.90160%0.6SS**PPolyproline II helixtrans-71.3123.4174.200000109
3G55Low61.5Low22 Ų2298.6 Ų98.623%0.22759%0.589CS.*PPolyproline II helixtrans-74156177.800000112.5M1 K5M1-G3 PolarHBondContact O-N 3.41Å; G3-K5 PolarHBondContact O-N 2.84Å
4M58.1Low62.8Low155 Ų15599 Ų9976%0.76460%0.599SS**PPolyproline II helixtrans-69.2127.7175-63.8178.217600109.7I12M4-I12 HydrophobicContact CB-CD1 3.61Å; M4-I12 HydrophobicContact CB-CG1 4.34Å; M4-I12 WeakPolarHBondContact O-CG1 3.21Å; M4-I12 PolarHBondContact O-N 2.8Å
5K68.1Low64.4Low111 Ų11193.1 Ų93.148%0.48356%0.564SS.*BIsolated β-bridgetrans-102.1145.7174-68.7-177.8174.4-172.10109.7G3 D10 Y11G3-K5 PolarHBondContact O-N 2.84Å; K5-D10 CarbonylContact C-O 3.53Å; K5-D10 WeakPolarHBondContact CA-O 3.21Å; K5-Y11 HydrophobicContact CD-CE1 4.17Å; K5-Y11 WeakPolarHBondContact CE-OH 3.37Å; K5-Y11 HydrophobicContact CG-CD1 3.75Å; K5-Y11 HydrophobicContact CG-CE1 3.8Å; K5-Y11 HydrophobicContact CG-CG 4.33Å; K5-Y11 PolarHBondContact NZ-OH 2.88Å
6T66Low66.1Low56 Ų5689.9 Ų89.934%0.34454%0.538SS..PPolyproline II helixtrans-68.7167.4169.260.50000110.5S8 G9 D10 I12T6-S8 PolarHBondContact O-N 3.46Å; T6-S8 VanDerWaalsContact O-N 3.17Å; T6-S8 PolarHBondContact OG1-OG 2.65Å; T6-G9 PolarHBondContact O-N 3.5Å; T6-D10 WeakPolarHBondContact CG2-O 3.42Å; T6-D10 PolarHBondContact N-O 3.21Å; T6-D10 WeakPolarHBondContact OG1-CB 3.35Å; T6-D10 PolarHBondContact OG1-N 2.97Å; T6-D10 VanDerWaalsContact OG1-N 3.09Å; T6-D10 PolarHBondContact OG1-O 3.29Å; T6-I12 HydrophobicContact CG2-CG1 3.83Å
7A57.1Low67.6Low122 Ų12290.2 Ų90.2100%1.00853%0.533SS*.THydrogen-bonded Turntrans-62.3-19.117700000113.8
8S66.6Low69Low91 Ų9185.2 Ų85.264%0.63650%0.503SS*.THydrogen-bonded Turntrans-85.2-7.6172.650.60000113.9T6 D10T6-S8 PolarHBondContact O-N 3.46Å; T6-S8 VanDerWaalsContact O-N 3.17Å; T6-S8 PolarHBondContact OG1-OG 2.65Å; S8-D10 PolarHBondContact OG-OD2 2.69Å
9G63.7Low70.3Confident38 Ų3887.9 Ų87.939%0.39250%0.504SS..SBendtrans97.5-3.5-179.300000115T6T6-G9 PolarHBondContact O-N 3.5Å
10D62.7Low71.5Confident102 Ų10283.6 Ų83.655%0.54548%0.479SS..  trans-80.1139.8-179.2-53.5-55.3000111.4K5 T6 S8K5-D10 CarbonylContact C-O 3.53Å; K5-D10 WeakPolarHBondContact CA-O 3.21Å; T6-D10 WeakPolarHBondContact CG2-O 3.42Å; T6-D10 PolarHBondContact N-O 3.21Å; T6-D10 WeakPolarHBondContact OG1-CB 3.35Å; T6-D10 PolarHBondContact OG1-N 2.97Å; T6-D10 VanDerWaalsContact OG1-N 3.09Å; T6-D10 PolarHBondContact OG1-O 3.29Å; S8-D10 PolarHBondContact OG-OD2 2.69Å
11Y67Low72.5Confident47 Ų4781.5 Ų81.518%0.18447%0.465CS..BIsolated β-bridgetrans-71.2138.2177.7-67.9-81.1000111.7K5 D13 S15 E17K5-Y11 HydrophobicContact CD-CE1 4.17Å; K5-Y11 WeakPolarHBondContact CE-OH 3.37Å; K5-Y11 HydrophobicContact CG-CD1 3.75Å; K5-Y11 HydrophobicContact CG-CE1 3.8Å; K5-Y11 HydrophobicContact CG-CG 4.33Å; K5-Y11 PolarHBondContact NZ-OH 2.88Å; Y11-D13 VanDerWaalsContact C-N 3.27Å; Y11-D13 PolarHBondContact O-N 2.66Å; Y11-S15 WeakPolarHBondContact CB-O 3.41Å; Y11-S15 VanDerWaalsContact CD2-O 3.31Å; Y11-S15 WeakPolarHBondContact CD2-O 3.39Å; Y11-E17 HydrophobicContact CE2-CG 4.34Å; Y11-E17 PolarHBondContact OH-OE1 3.25Å
12I66.4Low74.6Confident111 Ų11171.3 Ų71.357%0.56942%0.416SS*.THydrogen-bonded Turntrans-71-21.4-174.8-61.9176.6000112.7M4 T6M4-I12 HydrophobicContact CB-CD1 3.61Å; M4-I12 HydrophobicContact CB-CG1 4.34Å; M4-I12 WeakPolarHBondContact O-CG1 3.21Å; M4-I12 PolarHBondContact O-N 2.8Å; T6-I12 HydrophobicContact CG2-CG1 3.83Å
13D76.6Confident76Confident86 Ų8667.4 Ų67.446%0.4639%0.386SS..THydrogen-bonded Turntrans-98.520.7-175.762.1-6.1000114.1Y11 S15 R35Y11-D13 VanDerWaalsContact C-N 3.27Å; Y11-D13 PolarHBondContact O-N 2.66Å; D13-S15 PolarHBondContact O-N 3.04Å; D13-S15 VanDerWaalsContact OD1-CB 3.26Å; D13-S15 WeakPolarHBondContact OD1-CB 3.06Å; D13-S15 PolarHBondContact OD1-N 3.45Å; D13-S15 PolarHBondContact OD1-OG 3.32Å; D13-R35 IonicContact OD1-CZ 3.93Å; D13-R35 IonicContact OD1-NH2 4Å; D13-R35 PolarHBondContact OD1-NH2 2.68Å; D13-R35 IonicContact OD2-CZ 3.38Å; D13-R35 IonicContact OD2-NH1 3.88Å; D13-R35 IonicContact OD2-NH2 2.92Å; D13-R35 PolarHBondContact OD2-NH2 2.8Å
14S80Confident76.6Confident104 Ų10470.6 Ų70.673%0.72740%0.395SS*.SBendtrans57.316-176.1-51.70000114.6
15S86.8Confident76.9Confident11 Ų1166.5 Ų66.58%0.07737%0.374CS..  trans-82.9155.8174.367.90000111.8Y11 D13 R35 V36Y11-S15 WeakPolarHBondContact CB-O 3.41Å; Y11-S15 VanDerWaalsContact CD2-O 3.31Å; Y11-S15 WeakPolarHBondContact CD2-O 3.39Å; D13-S15 PolarHBondContact O-N 3.04Å; D13-S15 VanDerWaalsContact OD1-CB 3.26Å; D13-S15 WeakPolarHBondContact OD1-CB 3.06Å; D13-S15 PolarHBondContact OD1-N 3.45Å; D13-S15 PolarHBondContact OD1-OG 3.32Å; S15-R35 VanDerWaalsContact OG-CZ 3.27Å; S15-R35 PolarHBondContact OG-NE 3.19Å; S15-R35 PolarHBondContact OG-NH2 3.27Å; S15-V36 CarbonylContact C-O 3.58Å; S15-V36 WeakPolarHBondContact CA-O 3.23Å; S15-V36 VanDerWaalsContact CB-O 3.28Å; S15-V36 WeakPolarHBondContact CB-O 3.41Å
16W91.1Very high76.6Confident41 Ų4165.3 Ų65.316%0.15537%0.373CS..EExtended strand (participates in β ladder)trans-145.5167.9178.152.2-89.6000110.5L18 V36 L80 I85 L86 A87W16-L18 HydrophobicContact CE3-CB 4.16Å; W16-L18 HydrophobicContact CH2-CB 4.13Å; W16-L18 HydrophobicContact CH2-CD1 3.77Å; W16-L18 HydrophobicContact CH2-CG 4.39Å; W16-L18 HydrophobicContact CZ3-CB 3.52Å; W16-L18 HydrophobicContact CZ3-CD1 3.53Å; W16-L18 HydrophobicContact CZ3-CG 4.08Å; W16-V36 HydrophobicContact CD2-CG2 3.88Å; W16-V36 HydrophobicContact CE3-CG2 3.93Å; W16-V36 HydrophobicContact CH2-CG2 3.87Å; W16-V36 HydrophobicContact CZ2-CG2 3.81Å; W16-V36 HydrophobicContact CZ3-CG2 3.93Å; W16-V36 PolarHBondContact N-O 3.04Å; W16-V36 PolarHBondContact O-N 2.9Å; W16-L80 HydrophobicContact CH2-CD1 4.14Å; W16-L80 HydrophobicContact CZ2-CD1 3.92Å; W16-I85 HydrophobicContact CH2-CG2 4.18Å; W16-I85 WeakPolarHBondContact CZ2-O 3.43Å; W16-L86 VanDerWaalsContact CH2-C 3.49Å; W16-L86 VanDerWaalsContact CZ3-C 3.49Å; W16-A87 HydrophobicContact CD2-CB 4.32Å; W16-A87 VanDerWaalsContact CE3-CA 3.47Å; W16-A87 HydrophobicContact CE3-CB 3.64Å; W16-A87 VanDerWaalsContact CZ3-CA 3.41Å; W16-A87 HydrophobicContact CZ3-CB 4.14Å
17E92.1Very high76.1Confident95 Ų9568.9 Ų68.944%0.44440%0.397SS..EExtended strand (participates in β ladder)trans-93.4114.7-177.9-75.7174.6-159.700110.3Y11 T33 L34Y11-E17 HydrophobicContact CE2-CG 4.34Å; Y11-E17 PolarHBondContact OH-OE1 3.25Å; E17-T33 HydrophobicContact CB-CG2 3.81Å; E17-T33 HydrophobicContact CG-CG2 4.05Å; E17-L34 CarbonylContact C-O 3.51Å; E17-L34 WeakPolarHBondContact CA-O 3.43Å
18L93.8Very high76.4Confident0 Ų071.4 Ų71.40%039%0.388CS..EExtended strand (participates in β ladder)trans-95.1121173.1179.764.3000109.5W16 V20 T33 L34 V36 V45 L80 I85 L91W16-L18 HydrophobicContact CE3-CB 4.16Å; W16-L18 HydrophobicContact CH2-CB 4.13Å; W16-L18 HydrophobicContact CH2-CD1 3.77Å; W16-L18 HydrophobicContact CH2-CG 4.39Å; W16-L18 HydrophobicContact CZ3-CB 3.52Å; W16-L18 HydrophobicContact CZ3-CD1 3.53Å; W16-L18 HydrophobicContact CZ3-CG 4.08Å; L18-V20 HydrophobicContact CD2-CG2 4.16Å; L18-V20 HydrophobicContact CG-CG2 4.01Å; L18-T33 WeakPolarHBondContact O-CA 3.41Å; L18-L34 PolarHBondContact N-O 3.41Å; L18-L34 PolarHBondContact O-N 2.87Å; L18-V36 HydrophobicContact CB-CG1 4.32Å; L18-V36 HydrophobicContact CB-CG2 3.68Å; L18-V36 HydrophobicContact CD2-CG1 4.41Å; L18-V36 HydrophobicContact CD2-CG2 4.43Å; L18-V45 HydrophobicContact CD2-CG1 4Å; L18-L80 HydrophobicContact CD2-CD1 4.37Å; L18-L80 HydrophobicContact CD2-CD2 4.47Å; L18-I85 HydrophobicContact CD1-CG2 4.3Å; L18-L91 HydrophobicContact CD1-CD1 3.66Å; L18-L91 HydrophobicContact CD1-CG 4.4Å; L18-L91 HydrophobicContact CD2-CD1 4Å; L18-L91 HydrophobicContact CG-CD1 4.22Å
19R93Very high76.6Confident138 Ų13868 Ų6852%0.52137%0.365SS..EExtended strand (participates in β ladder)trans-93.8128.4173.4-172.8178.7-69.6-177.6-0.8110.2F21 V32R19-F21 HydrophobicContact CG-CZ 4.45Å; R19-V32 WeakPolarHBondContact CA-O 3.5Å
20V93.7Very high77.5Confident0 Ų071.9 Ų71.90%037%0.373CS..EExtended strand (participates in β ladder)trans-126.9125.1176.8-172.40000109.2L18 S31 V32 L34 I49 L91 F93L18-V20 HydrophobicContact CD2-CG2 4.16Å; L18-V20 HydrophobicContact CG-CG2 4.01Å; V20-S31 CarbonylContact O-C 3.54Å; V20-S31 VanDerWaalsContact O-CA 3.28Å; V20-S31 WeakPolarHBondContact O-CA 3.21Å; V20-V32 HydrophobicContact CB-CG2 3.98Å; V20-V32 PolarHBondContact N-O 3.33Å; V20-V32 PolarHBondContact O-N 2.73Å; V20-L34 HydrophobicContact CG2-CD1 4.49Å; V20-I49 HydrophobicContact CB-CD1 4.34Å; V20-I49 HydrophobicContact CG1-CD1 3.93Å; V20-I49 HydrophobicContact CG2-CD1 4.17Å; V20-L91 WeakPolarHBondContact CA-O 2.86Å; V20-L91 HydrophobicContact CG1-CB 4.21Å; V20-L91 HydrophobicContact CG2-CB 4.25Å; V20-L91 HydrophobicContact CG2-CD1 4.42Å; V20-F93 HydrophobicContact CG1-CB 3.64Å
21F92.7Very high78.8Confident40 Ų4069.7 Ų69.718%0.17537%0.366CS..EExtended strand (participates in β ladder)trans-82.2132.8175.2-59.6-84.7000109.4R19 A29 E30 L91 F92 F93R19-F21 HydrophobicContact CG-CZ 4.45Å; F21-A29 HydrophobicContact CB-CB 4.28Å; F21-E30 CarbonylContact C-O 3.57Å; F21-L91 WeakPolarHBondContact CD2-O 3.42Å; F21-L91 PolarHBondContact N-O 2.84Å; F21-F92 HydrophobicContact CB-CD1 3.65Å; F21-F92 HydrophobicContact CB-CE1 3.84Å; F21-F92 HydrophobicContact CB-CG 4.38Å; F21-F92 HydrophobicContact CD2-CD1 4.47Å; F21-F92 HydrophobicContact CD2-CE1 4.14Å; F21-F92 HydrophobicContact CD2-CZ 4.2Å; F21-F92 HydrophobicContact CG-CD1 4.34Å; F21-F92 HydrophobicContact CG-CE1 4.07Å; F21-F92 CarbonylContact O-C 3.58Å; F21-F92 WeakPolarHBondContact O-CA 3.5Å; F21-F93 PolarHBondContact O-N 2.86Å
22V88Confident80Confident19 Ų1968.1 Ų68.112%0.11536%0.361CS..EExtended strand (participates in β ladder)trans-102.5119.6-176.9-178.10000108.8E30 V32 I53 F93V22-E30 PolarHBondContact N-O 2.96Å; V22-V32 HydrophobicContact CG2-CG1 4.09Å; V22-V32 HydrophobicContact CG2-CG2 4.2Å; V22-I53 HydrophobicContact CB-CD1 4.38Å; V22-I53 HydrophobicContact CG1-CD1 3.69Å; V22-I53 HydrophobicContact CG1-CG1 4.4Å; V22-I53 HydrophobicContact CG2-CD1 3.7Å; V22-I53 HydrophobicContact CG2-CG1 4.03Å; V22-F93 HydrophobicContact CG1-CD1 4.44Å
23G77.3Confident81.2Confident27 Ų2765.4 Ų65.428%0.27835%0.35SS..SBendtrans119.7-160.2-178.800000113.2F93G23-F93 PolarHBondContact N-O 2.95Å
24E68.3Low82Confident88 Ų8861.8 Ų61.841%0.41133%0.33SS..SBendtrans-74.5173.5175.1-60.7-163.3165.100111.4D26 A243E24-D26 PolarHBondContact O-N 3.12Å; E24-A243 WeakPolarHBondContact OE1-CB 3.45Å; E24-A243 WeakPolarHBondContact OE2-CB 3.28Å
25E64.1Low82.6Confident69 Ų6960.6 Ų60.632%0.32231%0.31SS..SBendtrans-68.169.1177.1-67.3-176.9160.600110.9W65 F92E25-W65 VanDerWaalsContact OE1-CD1 3.32Å; E25-W65 PolarHBondContact OE1-NE1 2.81Å; E25-F92 HydrophobicContact CB-CE1 4.47Å; E25-F92 HydrophobicContact CG-CD1 4.37Å; E25-F92 HydrophobicContact CG-CE1 4.47Å; E25-F92 HydrophobicContact CG-CG 4.41Å
26D62.4Low83Confident86 Ų8660.2 Ų60.246%0.4631%0.307SS..  trans-108.9127.2176.7-166.2-29.5000109.6E24 E28 A29E24-D26 PolarHBondContact O-N 3.12Å; D26-E28 PolarHBondContact O-N 3.13Å; D26-E28 VanDerWaalsContact O-N 3.13Å; D26-E28 PolarHBondContact OD1-N 3.15Å; D26-A29 HydrophobicContact CB-CB 4.31Å; D26-A29 WeakPolarHBondContact O-CB 3.35Å; D26-A29 PolarHBondContact O-N 2.9Å
27P55.7Low83.1Confident131 Ų13160.6 Ų60.685%0.85131%0.314SS*.THydrogen-bonded Turntrans-54.1-23.9172.4-26.134.5000114.9
28E62.4Low83.1Confident175 Ų17556.6 Ų56.682%0.81830%0.298SS*.THydrogen-bonded Turntrans-96.36.2178.4-61.3-174177.900113.4D26 E30D26-E28 PolarHBondContact O-N 3.13Å; D26-E28 VanDerWaalsContact O-N 3.13Å; D26-E28 PolarHBondContact OD1-N 3.15Å; E28-E30 PolarHBondContact O-N 3.48Å
29A70.7Confident83.1Confident20 Ų2063.9 Ų63.917%0.16533%0.332CS..  trans-58.9133.9-178.400000112.1F21 D26 S31F21-A29 HydrophobicContact CB-CB 4.28Å; D26-A29 HydrophobicContact CB-CB 4.31Å; D26-A29 WeakPolarHBondContact O-CB 3.35Å; D26-A29 PolarHBondContact O-N 2.9Å; A29-S31 PolarHBondContact O-N 2.72Å
30E83.4Confident83.2Confident120 Ų12058.2 Ų58.256%0.56131%0.314SS*.  trans-54.9137.6172.2-68.1178.915700109.6F21 V22 E28 R55F21-E30 CarbonylContact C-O 3.57Å; V22-E30 PolarHBondContact N-O 2.96Å; E28-E30 PolarHBondContact O-N 3.48Å; E30-R55 IonicContact OE1-NH2 2.65Å; E30-R55 IonicContact OE2-CZ 2.73Å; E30-R55 IonicContact OE2-NH1 3.96Å; E30-R55 IonicContact OE2-NH2 2.66Å; E30-R55 PolarHBondContact OE2-NH2 2.84Å
31S88.8Confident83.3Confident56 Ų5662.9 Ų62.939%0.39234%0.336SS..EExtended strand (participates in β ladder)trans-120.6142.3179.574.20000111.6V20 A29V20-S31 CarbonylContact O-C 3.54Å; V20-S31 VanDerWaalsContact O-CA 3.28Å; V20-S31 WeakPolarHBondContact O-CA 3.21Å; A29-S31 PolarHBondContact O-N 2.72Å
32V92.3Very high83.5Confident14 Ų1461 Ų619%0.08533%0.327CS..EExtended strand (participates in β ladder)trans-104140.8169.7-64.90000109.2R19 V20 V22 I49 Q52 I53R19-V32 WeakPolarHBondContact CA-O 3.5Å; V20-V32 HydrophobicContact CB-CG2 3.98Å; V20-V32 PolarHBondContact N-O 3.33Å; V20-V32 PolarHBondContact O-N 2.73Å; V22-V32 HydrophobicContact CG2-CG1 4.09Å; V22-V32 HydrophobicContact CG2-CG2 4.2Å; V32-I49 HydrophobicContact CG2-CG1 4.28Å; V32-I49 HydrophobicContact CG2-CG2 4.17Å; V32-Q52 HydrophobicContact CB-CG 4.32Å; V32-Q52 HydrophobicContact CG1-CB 4.4Å; V32-Q52 HydrophobicContact CG1-CG 4.12Å; V32-I53 HydrophobicContact CG1-CG1 4.01Å
33T92.9Very high83.8Confident53 Ų5361 Ų6133%0.32533%0.332SS..EExtended strand (participates in β ladder)trans-115.3122.7175.5-57.50000108.8E17 L18 Q52E17-T33 HydrophobicContact CB-CG2 3.81Å; E17-T33 HydrophobicContact CG-CG2 4.05Å; L18-T33 WeakPolarHBondContact O-CA 3.41Å; T33-Q52 PolarHBondContact O-NE2 3.16Å; T33-Q52 PolarHBondContact O-OE1 3.37Å
34L93.6Very high84.7Confident11 Ų1161.3 Ų61.36%0.05834%0.335CS..EExtended strand (participates in β ladder)trans-117.3140.8-171.6-67.4170.1000110.6E17 L18 V20 V36 V45 K48 I49E17-L34 CarbonylContact C-O 3.51Å; E17-L34 WeakPolarHBondContact CA-O 3.43Å; L18-L34 PolarHBondContact N-O 3.41Å; L18-L34 PolarHBondContact O-N 2.87Å; V20-L34 HydrophobicContact CG2-CD1 4.49Å; L34-V36 HydrophobicContact CB-CG1 4.17Å; L34-V45 HydrophobicContact CD1-CG1 4.14Å; L34-K48 HydrophobicContact CD1-CB 4.37Å; L34-K48 HydrophobicContact CD2-CB 3.71Å; L34-I49 HydrophobicContact CD1-CB 4.48Å; L34-I49 HydrophobicContact CD1-CD1 4.42Å; L34-I49 HydrophobicContact CD1-CG1 3.44Å; L34-I49 VanDerWaalsContact CD1-CG1 3.44Å
35R91.9Very high86Confident79 Ų7957.2 Ų57.230%0.29832%0.315SS..EExtended strand (participates in β ladder)trans-88.3119.3169.5-166.2173.8-176.7-153.2-4.1110.1D13 S15 K48D13-R35 IonicContact OD1-CZ 3.93Å; D13-R35 IonicContact OD1-NH2 4Å; D13-R35 PolarHBondContact OD1-NH2 2.68Å; D13-R35 IonicContact OD2-CZ 3.38Å; D13-R35 IonicContact OD2-NH1 3.88Å; D13-R35 IonicContact OD2-NH2 2.92Å; D13-R35 PolarHBondContact OD2-NH2 2.8Å; S15-R35 VanDerWaalsContact OG-CZ 3.27Å; S15-R35 PolarHBondContact OG-NE 3.19Å; S15-R35 PolarHBondContact OG-NH2 3.27Å; R35-K48 PolarHBondContact O-NZ 2.87Å; R35-K48 VanDerWaalsContact O-NZ 3.1Å
36V94.2Very high87.5Confident3 Ų355.3 Ų55.32%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-135167.8-175.2-59.60000111.2S15 W16 L18 L34 V45 L80S15-V36 CarbonylContact C-O 3.58Å; S15-V36 WeakPolarHBondContact CA-O 3.23Å; S15-V36 VanDerWaalsContact CB-O 3.28Å; S15-V36 WeakPolarHBondContact CB-O 3.41Å; W16-V36 HydrophobicContact CD2-CG2 3.88Å; W16-V36 HydrophobicContact CE3-CG2 3.93Å; W16-V36 HydrophobicContact CH2-CG2 3.87Å; W16-V36 HydrophobicContact CZ2-CG2 3.81Å; W16-V36 HydrophobicContact CZ3-CG2 3.93Å; W16-V36 PolarHBondContact N-O 3.04Å; W16-V36 PolarHBondContact O-N 2.9Å; L18-V36 HydrophobicContact CB-CG1 4.32Å; L18-V36 HydrophobicContact CB-CG2 3.68Å; L18-V36 HydrophobicContact CD2-CG1 4.41Å; L18-V36 HydrophobicContact CD2-CG2 4.43Å; L34-V36 HydrophobicContact CB-CG1 4.17Å; V36-V45 HydrophobicContact CG1-CG2 4.24Å; V36-L80 HydrophobicContact CB-CD1 3.92Å; V36-L80 HydrophobicContact CG1-CD1 4.42Å; V36-L80 HydrophobicContact CG2-CD1 3.71Å
37T93.8Very high89Confident48 Ų4857.5 Ų57.529%0.29432%0.318SS..  trans-122.9164.2169.359.50000108.7E39 S40T37-E39 PolarHBondContact O-N 2.97Å; T37-S40 PolarHBondContact N-OG 2.98Å; T37-S40 WeakPolarHBondContact O-CB 3.23Å; T37-S40 PolarHBondContact O-N 3.12Å; T37-S40 PolarHBondContact O-OG 2.72Å; T37-S40 VanDerWaalsContact O-OG 3.11Å; T37-S40 PolarHBondContact OG1-OG 2.77Å
38G91.3Very high90.8Very high11 Ų1155.2 Ų55.211%0.11330%0.295CS..THydrogen-bonded Turntrans-56.3-32.3175.300000114.2S40 T79 L80 D81G38-S40 VanDerWaalsContact C-N 3.27Å; G38-S40 PolarHBondContact O-N 2.9Å; G38-T79 WeakPolarHBondContact O-CB 3.45Å; G38-L80 PolarHBondContact O-N 3.48Å; G38-D81 VanDerWaalsContact C-CG 3.47Å; G38-D81 WeakPolarHBondContact CA-OD1 3.25Å; G38-D81 VanDerWaalsContact CA-OD2 3.3Å; G38-D81 WeakPolarHBondContact CA-OD2 3.25Å; G38-D81 PolarHBondContact O-N 3Å
39E94.4Very high92.3Very high153 Ų15346.9 Ų46.972%0.71526%0.256SS*.THydrogen-bonded Turntrans-76.4-6.6176.2-60.3-176.3163.100114.2T37 H41 T79T37-E39 PolarHBondContact O-N 2.97Å; E39-H41 PolarHBondContact O-N 2.84Å; E39-T79 WeakPolarHBondContact O-CG2 3.41Å
40S94.7Very high93.3Very high20 Ų2048 Ų4814%0.1426%0.261CS..  trans-64.1127.2178.5-650000110.5T37 G38 T79 L80T37-S40 PolarHBondContact N-OG 2.98Å; T37-S40 WeakPolarHBondContact O-CB 3.23Å; T37-S40 PolarHBondContact O-N 3.12Å; T37-S40 PolarHBondContact O-OG 2.72Å; T37-S40 VanDerWaalsContact O-OG 3.11Å; T37-S40 PolarHBondContact OG1-OG 2.77Å; G38-S40 VanDerWaalsContact C-N 3.27Å; G38-S40 PolarHBondContact O-N 2.9Å; S40-T79 WeakPolarHBondContact O-CA 3.14Å; S40-L80 PolarHBondContact O-N 2.84Å
41H96.6Very high93.8Very high98 Ų9849.6 Ų49.645%0.45427%0.268SS..BIsolated β-bridgetrans-75.9147.7176.4-60.1-77000111.9E39 G43 G44 V45 H77 W78E39-H41 PolarHBondContact O-N 2.84Å; H41-G43 VanDerWaalsContact C-N 3.29Å; H41-G43 PolarHBondContact O-N 3.18Å; H41-G44 WeakPolarHBondContact O-CA 3.49Å; H41-G44 PolarHBondContact O-N 3.07Å; H41-V45 WeakPolarHBondContact O-CG2 3.37Å; H41-V45 PolarHBondContact O-N 3.46Å; H41-H77 PolarHBondContact ND1-O 2.85Å; H41-W78 WeakPolarHBondContact CA-O 3.38Å
42I96.6Very high93.9Very high0 Ų051.5 Ų51.50%027%0.271CS..Hα-helixtrans-55.4-43.1176.6-62.4-54.2000111.9G44 V45 L46 I64 L73 W78 L80 Y83 I85I42-G44 VanDerWaalsContact C-N 3.3Å; I42-G44 PolarHBondContact O-N 3.3Å; I42-V45 WeakPolarHBondContact O-CB 3.47Å; I42-V45 PolarHBondContact O-N 2.89Å; I42-V45 VanDerWaalsContact O-N 3.13Å; I42-L46 HydrophobicContact CG2-CD1 4.29Å; I42-L46 HydrophobicContact CG2-CG 4.49Å; I42-L46 WeakPolarHBondContact O-CG 3.49Å; I42-L46 PolarHBondContact O-N 3.05Å; I42-I64 HydrophobicContact CG2-CD1 4.5Å; I42-L73 HydrophobicContact CD1-CB 4.38Å; I42-L73 HydrophobicContact CD1-CD1 3.92Å; I42-L73 HydrophobicContact CG1-CB 4.45Å; I42-L73 HydrophobicContact CG2-CB 4.17Å; I42-W78 PolarHBondContact N-O 3.34Å; I42-L80 HydrophobicContact CD1-CD2 3.7Å; I42-Y83 HydrophobicContact CD1-CD2 4.14Å; I42-Y83 HydrophobicContact CD1-CE2 4.28Å; I42-Y83 HydrophobicContact CG1-CD2 4.03Å; I42-Y83 HydrophobicContact CG1-CE2 3.72Å; I42-I85 HydrophobicContact CD1-CD1 4.32Å
43G94.8Very high93.7Very high20 Ų2052 Ų5221%0.20627%0.273CS..Hα-helixtrans-60.1-38.3176.200000113H41 L46 L47 T76H41-G43 VanDerWaalsContact C-N 3.29Å; H41-G43 PolarHBondContact O-N 3.18Å; G43-L46 PolarHBondContact O-N 3.33Å; G43-L47 WeakPolarHBondContact O-CG 3.38Å; G43-L47 PolarHBondContact O-N 3.27Å; G43-L47 VanDerWaalsContact O-N 3.17Å; G43-T76 PolarHBondContact N-O 3.32Å
44G95.6Very high93.5Very high33 Ų3356.4 Ų56.434%0.3429%0.294SS..Hα-helixtrans-68.3-37.2174.500000112.6H41 I42 L47 K48H41-G44 WeakPolarHBondContact O-CA 3.49Å; H41-G44 PolarHBondContact O-N 3.07Å; I42-G44 VanDerWaalsContact C-N 3.3Å; I42-G44 PolarHBondContact O-N 3.3Å; G44-L47 PolarHBondContact O-N 3.47Å; G44-K48 WeakPolarHBondContact O-CG 3.49Å; G44-K48 PolarHBondContact O-N 2.9Å
45V95.5Very high93.2Very high1 Ų161.4 Ų61.41%0.00631%0.313CS..Hα-helixtrans-63.2-45.6173.7175.70000110.5L18 L34 V36 H41 I42 L47 K48 I49 I64 L80L18-V45 HydrophobicContact CD2-CG1 4Å; L34-V45 HydrophobicContact CD1-CG1 4.14Å; V36-V45 HydrophobicContact CG1-CG2 4.24Å; H41-V45 WeakPolarHBondContact O-CG2 3.37Å; H41-V45 PolarHBondContact O-N 3.46Å; I42-V45 WeakPolarHBondContact O-CB 3.47Å; I42-V45 PolarHBondContact O-N 2.89Å; I42-V45 VanDerWaalsContact O-N 3.13Å; V45-L47 VanDerWaalsContact C-N 3.35Å; V45-L47 PolarHBondContact O-N 3.47Å; V45-K48 PolarHBondContact O-N 3.4Å; V45-I49 HydrophobicContact CG1-CD1 3.97Å; V45-I49 HydrophobicContact CG1-CG1 4.35Å; V45-I49 VanDerWaalsContact O-CG1 3.32Å; V45-I49 WeakPolarHBondContact O-CG1 3.46Å; V45-I49 PolarHBondContact O-N 3.23Å; V45-I64 HydrophobicContact CG1-CD1 4.11Å; V45-L80 HydrophobicContact CG2-CD1 4.27Å; V45-L80 HydrophobicContact CG2-CD2 4.44Å; V45-L80 HydrophobicContact CG2-CG 4.5Å
46L95.1Very high93Very high30 Ų3068.2 Ų68.216%0.15734%0.344CS..Hα-helixtrans-56-45.9176.4-71.2169.9000112.4I42 G43 K48 I49 V50 I64 T76 F93I42-L46 HydrophobicContact CG2-CD1 4.29Å; I42-L46 HydrophobicContact CG2-CG 4.49Å; I42-L46 WeakPolarHBondContact O-CG 3.49Å; I42-L46 PolarHBondContact O-N 3.05Å; G43-L46 PolarHBondContact O-N 3.33Å; L46-K48 PolarHBondContact O-N 2.64Å; L46-I49 WeakPolarHBondContact O-CB 3.41Å; L46-I49 PolarHBondContact O-N 3.48Å; L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 3.33Å; L46-I64 HydrophobicContact CD2-CD1 3.81Å; L46-I64 HydrophobicContact CD2-CG1 3.76Å; L46-I64 HydrophobicContact CG-CD1 4.23Å; L46-T76 HydrophobicContact CD1-CG2 4.39Å; L46-F93 HydrophobicContact CD2-CD2 3.77Å; L46-F93 HydrophobicContact CD2-CE2 3.5Å
47L94.1Very high92.7Very high132 Ų13272.6 Ų72.669%0.69136%0.364SS*.Hα-helixtrans-60.4-44.8177.3-69.1171.2000112G43 G44 V45 I49 V50 E51G43-L47 WeakPolarHBondContact O-CG 3.38Å; G43-L47 PolarHBondContact O-N 3.27Å; G43-L47 VanDerWaalsContact O-N 3.17Å; G44-L47 PolarHBondContact O-N 3.47Å; V45-L47 VanDerWaalsContact C-N 3.35Å; V45-L47 PolarHBondContact O-N 3.47Å; L47-I49 PolarHBondContact O-N 2.92Å; L47-V50 PolarHBondContact O-N 2.8Å; L47-E51 WeakPolarHBondContact O-CB 3.41Å; L47-E51 PolarHBondContact O-N 2.76Å
48K94.7Very high92.3Very high83 Ų8375.8 Ų75.836%0.36138%0.38SS..Hα-helixtrans-65.1-37.3177.4-67.7177.1172.5178.80112.6L34 R35 G44 V45 L46 E51 Q52L34-K48 HydrophobicContact CD1-CB 4.37Å; L34-K48 HydrophobicContact CD2-CB 3.71Å; R35-K48 PolarHBondContact O-NZ 2.87Å; R35-K48 VanDerWaalsContact O-NZ 3.1Å; G44-K48 WeakPolarHBondContact O-CG 3.49Å; G44-K48 PolarHBondContact O-N 2.9Å; V45-K48 PolarHBondContact O-N 3.4Å; L46-K48 PolarHBondContact O-N 2.64Å; K48-E51 PolarHBondContact O-N 3Å; K48-Q52 WeakPolarHBondContact O-CB 3.43Å; K48-Q52 PolarHBondContact O-N 2.78Å
49I93.5Very high92.1Very high0 Ų077.3 Ų77.30%038%0.382CS..Hα-helixtrans-58.4-52.2174-68165.4000109.5V20 V32 L34 V45 L46 L47 E51 Q52 I53 I64 F93V20-I49 HydrophobicContact CB-CD1 4.34Å; V20-I49 HydrophobicContact CG1-CD1 3.93Å; V20-I49 HydrophobicContact CG2-CD1 4.17Å; V32-I49 HydrophobicContact CG2-CG1 4.28Å; V32-I49 HydrophobicContact CG2-CG2 4.17Å; L34-I49 HydrophobicContact CD1-CB 4.48Å; L34-I49 HydrophobicContact CD1-CD1 4.42Å; L34-I49 HydrophobicContact CD1-CG1 3.44Å; L34-I49 VanDerWaalsContact CD1-CG1 3.44Å; V45-I49 HydrophobicContact CG1-CD1 3.97Å; V45-I49 HydrophobicContact CG1-CG1 4.35Å; V45-I49 VanDerWaalsContact O-CG1 3.32Å; V45-I49 WeakPolarHBondContact O-CG1 3.46Å; V45-I49 PolarHBondContact O-N 3.23Å; L46-I49 WeakPolarHBondContact O-CB 3.41Å; L46-I49 PolarHBondContact O-N 3.48Å; L47-I49 PolarHBondContact O-N 2.92Å; I49-E51 VanDerWaalsContact C-N 3.34Å; I49-E51 PolarHBondContact O-N 3.09Å; I49-Q52 PolarHBondContact O-N 3.14Å; I49-I53 HydrophobicContact CG2-CD1 3.47Å; I49-I53 VanDerWaalsContact CG2-CD1 3.47Å; I49-I53 HydrophobicContact CG2-CG1 4.26Å; I49-I53 VanDerWaalsContact O-CG1 3.26Å; I49-I53 WeakPolarHBondContact O-CG1 3.25Å; I49-I53 PolarHBondContact O-N 3.2Å; I49-I64 HydrophobicContact CD1-CD1 3.86Å; I49-I64 HydrophobicContact CD1-CG1 4.22Å; I49-F93 HydrophobicContact CD1-CB 4.32Å; I49-F93 HydrophobicContact CD1-CD2 4.35Å; I49-F93 HydrophobicContact CD1-CG 4.27Å; I49-F93 HydrophobicContact CG2-CB 4.41Å; I49-F93 HydrophobicContact CG2-CD1 3.4Å; I49-F93 HydrophobicContact CG2-CE1 3.64Å; I49-F93 HydrophobicContact CG2-CG 3.88Å; I49-F93 HydrophobicContact CG2-CZ 4.34Å
50V92.4Very high91.8Very high43 Ų4374.3 Ų74.326%0.26138%0.378SS..Hα-helixtrans-62.2-41.6-177.9171.70000111.6L46 L47 I53 N54 W59 F93L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 3.33Å; L47-V50 PolarHBondContact O-N 2.8Å; V50-I53 PolarHBondContact O-N 3.43Å; V50-N54 PolarHBondContact O-N 2.83Å; V50-N54 VanDerWaalsContact O-N 3.14Å; V50-W59 HydrophobicContact CG1-CG 4.32Å; V50-W59 HydrophobicContact CG2-CB 4.34Å; V50-W59 HydrophobicContact CG2-CD2 4Å; V50-W59 HydrophobicContact CG2-CG 3.89Å; V50-F93 HydrophobicContact CG2-CE1 4.42Å; V50-F93 HydrophobicContact CG2-CZ 4.08Å
51E92.1Very high91.6Very high154 Ų15475.1 Ų75.172%0.7238%0.381SS*.Hα-helixtrans-61.1-42.9175.6-172179-173.700111.9L47 K48 I49 N54L47-E51 WeakPolarHBondContact O-CB 3.41Å; L47-E51 PolarHBondContact O-N 2.76Å; K48-E51 PolarHBondContact O-N 3Å; I49-E51 VanDerWaalsContact C-N 3.34Å; I49-E51 PolarHBondContact O-N 3.09Å; E51-N54 PolarHBondContact O-N 3.37Å
52Q91.9Very high91.4Very high95 Ų9572.2 Ų72.244%0.44437%0.367SS..Hα-helixtrans-72.7-33.1-179.8-168.1169.510.200113.1V32 T33 K48 I49 N54V32-Q52 HydrophobicContact CB-CG 4.32Å; V32-Q52 HydrophobicContact CG1-CB 4.4Å; V32-Q52 HydrophobicContact CG1-CG 4.12Å; T33-Q52 PolarHBondContact O-NE2 3.16Å; T33-Q52 PolarHBondContact O-OE1 3.37Å; K48-Q52 WeakPolarHBondContact O-CB 3.43Å; K48-Q52 PolarHBondContact O-N 2.78Å; I49-Q52 PolarHBondContact O-N 3.14Å; Q52-N54 VanDerWaalsContact C-N 3.32Å
53I88.9Confident91.4Very high25 Ų2572.5 Ų72.513%0.12837%0.369CS..Hα-helixtrans-68.2-33.7174.9-67.4166000111.1V22 V32 I49 V50 R55 W59 F93V22-I53 HydrophobicContact CB-CD1 4.38Å; V22-I53 HydrophobicContact CG1-CD1 3.69Å; V22-I53 HydrophobicContact CG1-CG1 4.4Å; V22-I53 HydrophobicContact CG2-CD1 3.7Å; V22-I53 HydrophobicContact CG2-CG1 4.03Å; V32-I53 HydrophobicContact CG1-CG1 4.01Å; I49-I53 HydrophobicContact CG2-CD1 3.47Å; I49-I53 VanDerWaalsContact CG2-CD1 3.47Å; I49-I53 HydrophobicContact CG2-CG1 4.26Å; I49-I53 VanDerWaalsContact O-CG1 3.26Å; I49-I53 WeakPolarHBondContact O-CG1 3.25Å; I49-I53 PolarHBondContact O-N 3.2Å; V50-I53 PolarHBondContact O-N 3.43Å; I53-R55 HydrophobicContact CG2-CB 3.86Å; I53-R55 HydrophobicContact CG2-CG 3.62Å; I53-R55 PolarHBondContact O-N 2.94Å; I53-W59 HydrophobicContact CD1-CH2 3.82Å; I53-W59 HydrophobicContact CD1-CZ2 4.35Å; I53-W59 HydrophobicContact CD1-CZ3 4.39Å; I53-W59 HydrophobicContact CG2-CH2 4Å; I53-W59 HydrophobicContact CG2-CZ2 3.93Å; I53-F93 HydrophobicContact CD1-CD1 3.96Å; I53-F93 HydrophobicContact CD1-CE1 3.89Å
54N87.7Confident91.4Very high145 Ų14571.6 Ų71.678%0.77536%0.36SS*.  trans50.839178.1-164.725.9000114.3V50 E51 Q52V50-N54 PolarHBondContact O-N 2.83Å; V50-N54 VanDerWaalsContact O-N 3.14Å; E51-N54 PolarHBondContact O-N 3.37Å; Q52-N54 VanDerWaalsContact C-N 3.32Å
55R87.7Confident91.4Very high117 Ų11770.2 Ų70.244%0.44235%0.345SS..  trans-107132.8174.8-69.1175.9-177.1162.44.4110.6E30 I53 Q57 W59E30-R55 IonicContact OE1-NH2 2.65Å; E30-R55 IonicContact OE2-CZ 2.73Å; E30-R55 IonicContact OE2-NH1 3.96Å; E30-R55 IonicContact OE2-NH2 2.66Å; E30-R55 PolarHBondContact OE2-NH2 2.84Å; I53-R55 HydrophobicContact CG2-CB 3.86Å; I53-R55 HydrophobicContact CG2-CG 3.62Å; I53-R55 PolarHBondContact O-N 2.94Å; R55-Q57 PolarHBondContact O-N 2.83Å; R55-W59 HydrophobicContact CB-CZ2 4.23Å; R55-W59 PolarHBondContact O-NE1 3.06Å
56K87.3Confident91.4Very high221 Ų22170.9 Ų70.996%0.96135%0.347SS*.  trans-83.194.9174.1-67.5-175180-178.40109.9
57Q87.1Confident91.3Very high95 Ų9572.4 Ų72.444%0.44435%0.353SS..SBendtrans-150.3172.5174.366.1178.943.800110.7R55 W59R55-Q57 PolarHBondContact O-N 2.83Å; Q57-W59 HydrophobicContact CG-CD2 3.93Å; Q57-W59 HydrophobicContact CG-CE3 4.46Å; Q57-W59 HydrophobicContact CG-CG 4.45Å; Q57-W59 HydrophobicContact CG-CH2 4.12Å; Q57-W59 HydrophobicContact CG-CZ2 3.52Å; Q57-W59 VanDerWaalsContact O-CD1 3.28Å
58D85.4Confident91.2Very high116 Ų11670.4 Ų70.462%0.6234%0.34SS*.  trans-78.9124.6171.1-174.713.7000110.7S60D58-S60 WeakPolarHBondContact OD1-CB 3.19Å; D58-S60 PolarHBondContact OD1-N 3.05Å; D58-S60 PolarHBondContact OD1-OG 3.32Å; D58-S60 PolarHBondContact OD2-OG 3.08Å
59W88.8Confident91.1Very high43 Ų4373 Ų7316%0.16335%0.352CS..  trans-108.43.2179.6-62.1104000112.6V50 I53 R55 Q57 D61 H62 F93V50-W59 HydrophobicContact CG1-CG 4.32Å; V50-W59 HydrophobicContact CG2-CB 4.34Å; V50-W59 HydrophobicContact CG2-CD2 4Å; V50-W59 HydrophobicContact CG2-CG 3.89Å; I53-W59 HydrophobicContact CD1-CH2 3.82Å; I53-W59 HydrophobicContact CD1-CZ2 4.35Å; I53-W59 HydrophobicContact CD1-CZ3 4.39Å; I53-W59 HydrophobicContact CG2-CH2 4Å; I53-W59 HydrophobicContact CG2-CZ2 3.93Å; R55-W59 HydrophobicContact CB-CZ2 4.23Å; R55-W59 PolarHBondContact O-NE1 3.06Å; Q57-W59 HydrophobicContact CG-CD2 3.93Å; Q57-W59 HydrophobicContact CG-CE3 4.46Å; Q57-W59 HydrophobicContact CG-CG 4.45Å; Q57-W59 HydrophobicContact CG-CH2 4.12Å; Q57-W59 HydrophobicContact CG-CZ2 3.52Å; Q57-W59 VanDerWaalsContact O-CD1 3.28Å; W59-D61 PolarHBondContact O-N 3.47Å; W59-D61 VanDerWaalsContact O-N 3.16Å; W59-H62 HydrophobicContact CE3-CB 4.18Å; W59-H62 AromaticContact CE3-CD2 3.49Å; W59-H62 VanDerWaalsContact CE3-CD2 3.49Å; W59-H62 AromaticContact CE3-CE1 3.82Å; W59-H62 AromaticContact CE3-CG 3.59Å; W59-H62 AromaticContact CE3-ND1 3.8Å; W59-H62 AromaticContact CE3-NE2 3.65Å; W59-H62 AromaticContact CZ3-CD2 3.56Å; W59-H62 AromaticContact CZ3-NE2 3.61Å; W59-H62 WeakPolarHBondContact O-CB 3.13Å; W59-H62 PolarHBondContact O-N 3.41Å; W59-F93 HydrophobicContact CD2-CE1 4.41Å; W59-F93 HydrophobicContact CD2-CZ 4.38Å; W59-F93 AromaticContact CE3-CE1 3.5Å; W59-F93 HydrophobicContact CE3-CE1 3.5Å; W59-F93 AromaticContact CE3-CZ 3.6Å; W59-F93 HydrophobicContact CE3-CZ 3.6Å; W59-F93 HydrophobicContact CH2-CE1 4.12Å; W59-F93 HydrophobicContact CZ3-CD1 4.23Å; W59-F93 AromaticContact CZ3-CE1 3.33Å; W59-F93 HydrophobicContact CZ3-CE1 3.33Å; W59-F93 AromaticContact CZ3-CZ 3.95Å; W59-F93 HydrophobicContact CZ3-CZ 3.95Å
60S88Confident91.1Very high90 Ų9080.5 Ų80.563%0.62938%0.38SS*.THydrogen-bonded Turntrans-55.4-34.2-175.3630000113.9D58D58-S60 WeakPolarHBondContact OD1-CB 3.19Å; D58-S60 PolarHBondContact OD1-N 3.05Å; D58-S60 PolarHBondContact OD1-OG 3.32Å; D58-S60 PolarHBondContact OD2-OG 3.08Å
61D90Very high91.2Very high36 Ų3681.3 Ų81.319%0.19338%0.381CS..THydrogen-bonded Turntrans-88.80.5179.1-170.846.8000114.1W59 P95 Q96 H97W59-D61 PolarHBondContact O-N 3.47Å; W59-D61 VanDerWaalsContact O-N 3.16Å; D61-P95 WeakPolarHBondContact O-CA 3.07Å; D61-P95 WeakPolarHBondContact OD2-CB 3.45Å; D61-Q96 WeakPolarHBondContact O-CB 3.44Å; D61-Q96 WeakPolarHBondContact O-CG 3.35Å; D61-Q96 PolarHBondContact O-N 2.97Å; D61-Q96 PolarHBondContact OD2-N 2.83Å; D61-H97 IonicContact OD1-CE1 2.87Å; D61-H97 IonicContact OD1-CG 3.43Å; D61-H97 PolarHBondContact OD1-N 3.12Å; D61-H97 IonicContact OD1-ND1 3.13Å; D61-H97 PolarHBondContact OD1-ND1 3.46Å; D61-H97 WeakPolarHBondContact OD2-CB 3.34Å; D61-H97 PolarHBondContact OD2-N 3.14Å; D61-H97 IonicContact OD2-ND1 2.64Å
62H92.9Very high91.3Very high38 Ų3874.9 Ų74.918%0.17635%0.35CS..EExtended strand (participates in β ladder)trans-92.7140.6-174.5-6764.5000112.5W59 F93 G94W59-H62 HydrophobicContact CE3-CB 4.18Å; W59-H62 AromaticContact CE3-CD2 3.49Å; W59-H62 VanDerWaalsContact CE3-CD2 3.49Å; W59-H62 AromaticContact CE3-CE1 3.82Å; W59-H62 AromaticContact CE3-CG 3.59Å; W59-H62 AromaticContact CE3-ND1 3.8Å; W59-H62 AromaticContact CE3-NE2 3.65Å; W59-H62 AromaticContact CZ3-CD2 3.56Å; W59-H62 AromaticContact CZ3-NE2 3.61Å; W59-H62 WeakPolarHBondContact O-CB 3.13Å; W59-H62 PolarHBondContact O-N 3.41Å; H62-F93 HydrophobicContact CB-CD2 4.28Å; H62-F93 HydrophobicContact CB-CE1 4.38Å; H62-F93 HydrophobicContact CB-CE2 3.45Å; H62-F93 VanDerWaalsContact CB-CE2 3.45Å; H62-F93 HydrophobicContact CB-CZ 3.53Å; H62-G94 WeakPolarHBondContact CA-O 3.18Å
63A95.6Very high91.5Very high5 Ų570.5 Ų70.54%0.04133%0.329CS..EExtended strand (participates in β ladder)trans-145.6176.2174.300000110.6W72 L74 F93 G94 Q96A63-W72 HydrophobicContact CB-CE3 3.73Å; A63-W72 HydrophobicContact CB-CZ3 3.76Å; A63-L74 HydrophobicContact CB-CD2 3.95Å; A63-F93 WeakPolarHBondContact O-CA 3.35Å; A63-G94 PolarHBondContact N-O 2.99Å; A63-G94 PolarHBondContact O-N 2.93Å; A63-G94 VanDerWaalsContact O-N 3.13Å; A63-Q96 HydrophobicContact CB-CG 3.7Å
64I95.9Very high91.7Very high1 Ų172.9 Ų72.91%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-100.4126.5178.5-61.1163.5000109.9I42 V45 L46 I49 L73 L91 F92 F93I42-I64 HydrophobicContact CG2-CD1 4.5Å; V45-I64 HydrophobicContact CG1-CD1 4.11Å; L46-I64 HydrophobicContact CD2-CD1 3.81Å; L46-I64 HydrophobicContact CD2-CG1 3.76Å; L46-I64 HydrophobicContact CG-CD1 4.23Å; I49-I64 HydrophobicContact CD1-CD1 3.86Å; I49-I64 HydrophobicContact CD1-CG1 4.22Å; I64-L73 HydrophobicContact CB-CB 4.27Å; I64-L73 HydrophobicContact CB-CD1 4.05Å; I64-L73 HydrophobicContact CB-CG 4.34Å; I64-L73 HydrophobicContact CG2-CD1 3.65Å; I64-L73 HydrophobicContact CG2-CG 4.22Å; I64-L73 PolarHBondContact O-N 3.26Å; I64-L91 HydrophobicContact CG2-CB 3.81Å; I64-L91 HydrophobicContact CG2-CD1 4.08Å; I64-L91 HydrophobicContact CG2-CD2 4.05Å; I64-L91 HydrophobicContact CG2-CG 4.2Å; I64-F92 CarbonylContact C-O 3.48Å; I64-F92 WeakPolarHBondContact CA-O 3.3Å; I64-F93 HydrophobicContact CG1-CD2 4.19Å
65W95.4Very high92.1Very high5 Ų570.1 Ų70.12%0.01932%0.324CS..EExtended strand (participates in β ladder)trans-98.9131.6168.9171.1-112.8000110.3E25 R70 Q71 W72 L91 F92 M237 Q238E25-W65 VanDerWaalsContact OE1-CD1 3.32Å; E25-W65 PolarHBondContact OE1-NE1 2.81Å; W65-R70 HydrophobicContact CH2-CB 3.84Å; W65-R70 WeakPolarHBondContact CH2-O 3.35Å; W65-R70 HydrophobicContact CZ2-CB 4.02Å; W65-R70 HydrophobicContact CZ2-CG 4.4Å; W65-R70 VanDerWaalsContact CZ3-C 3.41Å; W65-Q71 VanDerWaalsContact CE3-O 3.29Å; W65-Q71 VanDerWaalsContact CZ3-C 3.44Å; W65-Q71 VanDerWaalsContact CZ3-N 3.33Å; W65-W72 HydrophobicContact CB-CD2 4.32Å; W65-W72 HydrophobicContact CB-CE3 4.17Å; W65-W72 HydrophobicContact CB-CH2 4.42Å; W65-W72 HydrophobicContact CB-CZ3 4.21Å; W65-W72 AromaticContact CE3-CD1 3.45Å; W65-W72 VanDerWaalsContact CE3-CD1 3.45Å; W65-W72 AromaticContact CE3-CD2 3.95Å; W65-W72 HydrophobicContact CE3-CD2 3.95Å; W65-W72 AromaticContact CE3-CE2 3.87Å; W65-W72 AromaticContact CE3-CG 3.74Å; W65-W72 HydrophobicContact CE3-CG 3.74Å; W65-W72 AromaticContact CE3-NE1 3.51Å; W65-W72 AromaticContact CZ3-CD1 3.52Å; W65-W72 HydrophobicContact CZ3-CG 4.2Å; W65-W72 AromaticContact CZ3-NE1 3.72Å; W65-L91 CarbonylContact O-C 3.59Å; W65-L91 WeakPolarHBondContact O-CA 3.24Å; W65-F92 HydrophobicContact CB-CB 4.33Å; W65-F92 PolarHBondContact N-O 3.31Å; W65-F92 PolarHBondContact O-N 3.39Å; W65-M237 HydrophobicContact CD2-CG 3.72Å; W65-M237 VanDerWaalsContact CE2-CG 3.44Å; W65-M237 HydrophobicContact CE3-CB 4.27Å; W65-M237 HydrophobicContact CE3-CG 3.93Å; W65-M237 HydrophobicContact CG-CG 4.4Å; W65-M237 HydrophobicContact CH2-CB 3.77Å; W65-M237 HydrophobicContact CH2-CG 3.62Å; W65-M237 HydrophobicContact CZ2-CB 4.08Å; W65-M237 HydrophobicContact CZ2-CG 3.4Å; W65-M237 HydrophobicContact CZ3-CB 3.87Å; W65-M237 HydrophobicContact CZ3-CG 3.88Å; W65-Q238 HydrophobicContact CH2-CG 3.92Å; W65-Q238 HydrophobicContact CZ3-CG 4.34Å
66W95.1Very high92.3Very high14 Ų1468.2 Ų68.25%0.05333%0.326CS..EExtended strand (participates in β ladder)trans-104.6105.4174.7-176.211.2000110.3Q68 K69 R70 Q71 L73 Y83 I85 L91W66-Q68 PolarHBondContact O-N 2.97Å; W66-K69 HydrophobicContact CD2-CB 3.77Å; W66-K69 HydrophobicContact CD2-CG 3.76Å; W66-K69 HydrophobicContact CE3-CB 3.82Å; W66-K69 HydrophobicContact CE3-CG 3.76Å; W66-K69 HydrophobicContact CG-CB 4.27Å; W66-K69 HydrophobicContact CH2-CB 4.48Å; W66-K69 HydrophobicContact CH2-CG 3.52Å; W66-K69 HydrophobicContact CZ2-CB 4.44Å; W66-K69 HydrophobicContact CZ2-CG 3.5Å; W66-K69 VanDerWaalsContact CZ2-CG 3.5Å; W66-K69 HydrophobicContact CZ3-CB 4.17Å; W66-K69 HydrophobicContact CZ3-CG 3.64Å; W66-R70 WeakPolarHBondContact O-CA 3.34Å; W66-R70 PolarHBondContact O-N 3.38Å; W66-Q71 HydrophobicContact CB-CG 4.34Å; W66-Q71 HydrophobicContact CE3-CG 4.17Å; W66-Q71 VanDerWaalsContact CZ3-NE2 3.35Å; W66-Q71 PolarHBondContact N-O 3.44Å; W66-Q71 PolarHBondContact O-N 3.16Å; W66-L73 HydrophobicContact CB-CD2 4.4Å; W66-L73 HydrophobicContact CE3-CD2 4.26Å; W66-Y83 VanDerWaalsContact CZ3-O 3.26Å; W66-Y83 WeakPolarHBondContact CZ3-O 3.34Å; W66-I85 HydrophobicContact CD2-CG1 4.43Å; W66-I85 HydrophobicContact CE3-CD1 4.35Å; W66-I85 HydrophobicContact CE3-CG1 3.94Å; W66-I85 HydrophobicContact CH2-CG1 3.96Å; W66-I85 HydrophobicContact CZ2-CG1 4.45Å; W66-I85 HydrophobicContact CZ3-CD1 4.48Å; W66-I85 HydrophobicContact CZ3-CG1 3.69Å; W66-L91 HydrophobicContact CB-CD2 3.71Å; W66-L91 HydrophobicContact CG-CD2 3.74Å
67E91.9Very high92.7Very high63 Ų6363.3 Ų63.329%0.29431%0.306SS..THydrogen-bonded Turntrans-61.9-48-172.5-176-166.8-162.100112.3K69 R70 R90 F92E67-K69 VanDerWaalsContact C-N 3.31Å; E67-K69 PolarHBondContact O-N 3.12Å; E67-R70 WeakPolarHBondContact O-CG 3.46Å; E67-R70 PolarHBondContact O-N 2.85Å; E67-R70 VanDerWaalsContact O-N 3.15Å; E67-R90 HydrophobicContact CB-CB 4.45Å; E67-R90 PolarHBondContact N-O 3.28Å; E67-R90 IonicContact OE1-NH1 3.32Å; E67-R90 PolarHBondContact OE1-NH1 3.44Å; E67-R90 WeakPolarHBondContact OE2-CD 3.49Å; E67-R90 IonicContact OE2-CZ 3.22Å; E67-R90 IonicContact OE2-NE 2.68Å; E67-R90 IonicContact OE2-NH1 3.11Å; E67-R90 PolarHBondContact OE2-NH1 3.27Å; E67-F92 HydrophobicContact CB-CD2 4.29Å; E67-F92 HydrophobicContact CB-CE2 3.9Å; E67-F92 HydrophobicContact CG-CE2 4.42Å
68Q92.6Very high93.1Very high90 Ų9062.3 Ų62.342%0.42130%0.299SS..THydrogen-bonded Turntrans-64.9-34.2-173.3-63.8102.3-3500113.3W66 D88 R90W66-Q68 PolarHBondContact O-N 2.97Å; Q68-D88 PolarHBondContact NE2-O 2.95Å; Q68-R90 VanDerWaalsContact NE2-CG 3.3Å; Q68-R90 PolarHBondContact OE1-O 3.15Å
69K92.9Very high93.6Very high138 Ų13858.5 Ų58.560%0.628%0.279SS*.THydrogen-bonded Turntrans-96.3-4.5177.3-69-67.2-172.61730113.3W66 E67 Q71W66-K69 HydrophobicContact CD2-CB 3.77Å; W66-K69 HydrophobicContact CD2-CG 3.76Å; W66-K69 HydrophobicContact CE3-CB 3.82Å; W66-K69 HydrophobicContact CE3-CG 3.76Å; W66-K69 HydrophobicContact CG-CB 4.27Å; W66-K69 HydrophobicContact CH2-CB 4.48Å; W66-K69 HydrophobicContact CH2-CG 3.52Å; W66-K69 HydrophobicContact CZ2-CB 4.44Å; W66-K69 HydrophobicContact CZ2-CG 3.5Å; W66-K69 VanDerWaalsContact CZ2-CG 3.5Å; W66-K69 HydrophobicContact CZ3-CB 4.17Å; W66-K69 HydrophobicContact CZ3-CG 3.64Å; E67-K69 VanDerWaalsContact C-N 3.31Å; E67-K69 PolarHBondContact O-N 3.12Å; K69-Q71 HydrophobicContact CB-CG 3.95Å; K69-Q71 PolarHBondContact O-N 3.23Å
70R93.5Very high94Very high157 Ų15756.4 Ų56.459%0.59227%0.272SS*.THydrogen-bonded Turntrans49.253-175.8-59.6-174.3175.9-166.90.1112.4W65 W66 E67 Q238W65-R70 HydrophobicContact CH2-CB 3.84Å; W65-R70 WeakPolarHBondContact CH2-O 3.35Å; W65-R70 HydrophobicContact CZ2-CB 4.02Å; W65-R70 HydrophobicContact CZ2-CG 4.4Å; W65-R70 VanDerWaalsContact CZ3-C 3.41Å; W66-R70 WeakPolarHBondContact O-CA 3.34Å; W66-R70 PolarHBondContact O-N 3.38Å; E67-R70 WeakPolarHBondContact O-CG 3.46Å; E67-R70 PolarHBondContact O-N 2.85Å; E67-R70 VanDerWaalsContact O-N 3.15Å; R70-Q238 HydrophobicContact CB-CG 4.3Å; R70-Q238 WeakPolarHBondContact O-CG 3.38Å; R70-Q238 PolarHBondContact O-NE2 3.33Å
71Q94.2Very high94.3Very high59 Ų5956.6 Ų56.628%0.27627%0.265SS..EExtended strand (participates in β ladder)trans-140.5150.2179.365.3179.8-19.400112.5W65 W66 K69 L73W65-Q71 VanDerWaalsContact CE3-O 3.29Å; W65-Q71 VanDerWaalsContact CZ3-C 3.44Å; W65-Q71 VanDerWaalsContact CZ3-N 3.33Å; W66-Q71 HydrophobicContact CB-CG 4.34Å; W66-Q71 HydrophobicContact CE3-CG 4.17Å; W66-Q71 VanDerWaalsContact CZ3-NE2 3.35Å; W66-Q71 PolarHBondContact N-O 3.44Å; W66-Q71 PolarHBondContact O-N 3.16Å; K69-Q71 HydrophobicContact CB-CG 3.95Å; K69-Q71 PolarHBondContact O-N 3.23Å; Q71-L73 HydrophobicContact CG-CD2 4.43Å
72W95.3Very high94.5Very high20 Ų2060.7 Ų60.78%0.07628%0.282CS..EExtended strand (participates in β ladder)trans-87.7139.3170.5-73.392.8000110.5A63 W65 L74 Q96 F116 M237A63-W72 HydrophobicContact CB-CE3 3.73Å; A63-W72 HydrophobicContact CB-CZ3 3.76Å; W65-W72 HydrophobicContact CB-CD2 4.32Å; W65-W72 HydrophobicContact CB-CE3 4.17Å; W65-W72 HydrophobicContact CB-CH2 4.42Å; W65-W72 HydrophobicContact CB-CZ3 4.21Å; W65-W72 AromaticContact CE3-CD1 3.45Å; W65-W72 VanDerWaalsContact CE3-CD1 3.45Å; W65-W72 AromaticContact CE3-CD2 3.95Å; W65-W72 HydrophobicContact CE3-CD2 3.95Å; W65-W72 AromaticContact CE3-CE2 3.87Å; W65-W72 AromaticContact CE3-CG 3.74Å; W65-W72 HydrophobicContact CE3-CG 3.74Å; W65-W72 AromaticContact CE3-NE1 3.51Å; W65-W72 AromaticContact CZ3-CD1 3.52Å; W65-W72 HydrophobicContact CZ3-CG 4.2Å; W65-W72 AromaticContact CZ3-NE1 3.72Å; W72-L74 HydrophobicContact CB-CD1 4.25Å; W72-L74 HydrophobicContact CB-CD2 3.87Å; W72-L74 HydrophobicContact CB-CG 3.74Å; W72-L74 PolarHBondContact O-N 2.84Å; W72-Q96 HydrophobicContact CE3-CG 4.36Å; W72-Q96 HydrophobicContact CH2-CG 4.18Å; W72-Q96 HydrophobicContact CZ3-CG 3.96Å; W72-F116 HydrophobicContact CZ2-CB 4.26Å; W72-F116 PolarHBondContact NE1-O 3.04Å; W72-M237 HydrophobicContact CZ2-CE 3.78Å
73L95.6Very high94.5Very high2 Ų260.3 Ų60.31%0.0128%0.279CS..  trans-91.871.9177-50.2-177.3000109.5I42 I64 W66 Q71 Y83 I85 L91I42-L73 HydrophobicContact CD1-CB 4.38Å; I42-L73 HydrophobicContact CD1-CD1 3.92Å; I42-L73 HydrophobicContact CG1-CB 4.45Å; I42-L73 HydrophobicContact CG2-CB 4.17Å; I64-L73 HydrophobicContact CB-CB 4.27Å; I64-L73 HydrophobicContact CB-CD1 4.05Å; I64-L73 HydrophobicContact CB-CG 4.34Å; I64-L73 HydrophobicContact CG2-CD1 3.65Å; I64-L73 HydrophobicContact CG2-CG 4.22Å; I64-L73 PolarHBondContact O-N 3.26Å; W66-L73 HydrophobicContact CB-CD2 4.4Å; W66-L73 HydrophobicContact CE3-CD2 4.26Å; Q71-L73 HydrophobicContact CG-CD2 4.43Å; L73-Y83 HydrophobicContact CD2-CD1 3.72Å; L73-Y83 HydrophobicContact CD2-CD2 4.32Å; L73-Y83 HydrophobicContact CD2-CE1 3.73Å; L73-Y83 HydrophobicContact CD2-CE2 4.32Å; L73-Y83 HydrophobicContact CD2-CG 4.02Å; L73-I85 HydrophobicContact CD1-CD1 3.4Å; L73-I85 VanDerWaalsContact CD1-CD1 3.4Å; L73-I85 HydrophobicContact CD2-CD1 4.07Å; L73-I85 HydrophobicContact CG-CD1 4.4Å; L73-L91 HydrophobicContact CD1-CD2 4.3Å
74L93.7Very high94.4Very high75 Ų7562.2 Ų62.239%0.39330%0.298SS..  trans-84.9-23.1-174.8-57.2-179.5000113.1A63 W72 T76A63-L74 HydrophobicContact CB-CD2 3.95Å; W72-L74 HydrophobicContact CB-CD1 4.25Å; W72-L74 HydrophobicContact CB-CD2 3.87Å; W72-L74 HydrophobicContact CB-CG 3.74Å; W72-L74 PolarHBondContact O-N 2.84Å; L74-T76 PolarHBondContact O-N 2.95Å
75Q94.2Very high94.4Very high87 Ų8762.1 Ų62.141%0.40730%0.298SS..  trans-76.787.9178.4-53.8-62.6-19.200110.8H77 W78 Y83Q75-H77 PolarHBondContact O-N 2.85Å; Q75-H77 VanDerWaalsContact O-N 3.15Å; Q75-H77 PolarHBondContact OE1-CE1 2.77Å; Q75-H77 VanDerWaalsContact OE1-CE1 3.22Å; Q75-W78 HydrophobicContact CB-CB 4.12Å; Q75-W78 HydrophobicContact CB-CD2 3.72Å; Q75-W78 HydrophobicContact CB-CE3 4.38Å; Q75-W78 HydrophobicContact CB-CG 3.6Å; Q75-W78 HydrophobicContact CG-CD2 4.03Å; Q75-W78 HydrophobicContact CG-CE3 4.47Å; Q75-W78 HydrophobicContact CG-CG 4.4Å; Q75-W78 HydrophobicContact CG-CZ2 4.14Å; Q75-W78 PolarHBondContact O-N 2.86Å; Q75-W78 VanDerWaalsContact O-N 3.07Å; Q75-Y83 VanDerWaalsContact CB-OH 3.27Å; Q75-Y83 WeakPolarHBondContact CB-OH 3.31Å; Q75-Y83 PolarHBondContact N-OH 3Å
76T93.7Very high94.2Very high77 Ų7766.7 Ų66.747%0.47232%0.322SS..THydrogen-bonded Turntrans-60.4-25.7-175.456.20000113.9G43 L46 L74G43-T76 PolarHBondContact N-O 3.32Å; L46-T76 HydrophobicContact CD1-CG2 4.39Å; L74-T76 PolarHBondContact O-N 2.95Å
77H93.9Very high93.8Very high119 Ų11968.9 Ų68.955%0.55134%0.344SS*.THydrogen-bonded Turntrans-85.4-12.2179.765-78000113.7H41 Q75H41-H77 PolarHBondContact ND1-O 2.85Å; Q75-H77 PolarHBondContact O-N 2.85Å; Q75-H77 VanDerWaalsContact O-N 3.15Å; Q75-H77 PolarHBondContact OE1-CE1 2.77Å; Q75-H77 VanDerWaalsContact OE1-CE1 3.22Å
78W96.8Very high93.7Very high74 Ų7471.9 Ų71.928%0.2836%0.362SS..SBendtrans-75.8149.5177.8-73.218.6000111.1H41 I42 Q75 K82 Y83H41-W78 WeakPolarHBondContact CA-O 3.38Å; I42-W78 PolarHBondContact N-O 3.34Å; Q75-W78 HydrophobicContact CB-CB 4.12Å; Q75-W78 HydrophobicContact CB-CD2 3.72Å; Q75-W78 HydrophobicContact CB-CE3 4.38Å; Q75-W78 HydrophobicContact CB-CG 3.6Å; Q75-W78 HydrophobicContact CG-CD2 4.03Å; Q75-W78 HydrophobicContact CG-CE3 4.47Å; Q75-W78 HydrophobicContact CG-CG 4.4Å; Q75-W78 HydrophobicContact CG-CZ2 4.14Å; Q75-W78 PolarHBondContact O-N 2.86Å; Q75-W78 VanDerWaalsContact O-N 3.07Å; W78-K82 HydrophobicContact CB-CD 4.16Å; W78-K82 HydrophobicContact CD2-CD 3.6Å; W78-K82 VanDerWaalsContact CD2-CE 3.49Å; W78-K82 HydrophobicContact CD2-CG 4.13Å; W78-K82 VanDerWaalsContact CE2-CE 3.42Å; W78-K82 HydrophobicContact CE3-CD 3.92Å; W78-K82 HydrophobicContact CE3-CG 3.92Å; W78-K82 HydrophobicContact CG-CD 3.68Å; W78-K82 HydrophobicContact CG-CG 4.42Å; W78-K82 HydrophobicContact CZ3-CG 4.49Å; W78-K82 VanDerWaalsContact NE1-NZ 3.12Å; W78-Y83 HydrophobicContact CB-CD2 4.03Å; W78-Y83 HydrophobicContact CB-CE2 3.56Å; W78-Y83 HydrophobicContact CD2-CE2 4.22Å; W78-Y83 HydrophobicContact CE3-CD1 4.22Å; W78-Y83 HydrophobicContact CE3-CD2 4.12Å; W78-Y83 AromaticContact CE3-CE1 3.8Å; W78-Y83 HydrophobicContact CE3-CE1 3.8Å; W78-Y83 AromaticContact CE3-CE2 3.71Å; W78-Y83 HydrophobicContact CE3-CE2 3.71Å; W78-Y83 HydrophobicContact CE3-CG 4.37Å; W78-Y83 AromaticContact CE3-CZ 3.54Å; W78-Y83 HydrophobicContact CG-CE2 4.23Å; W78-Y83 HydrophobicContact CZ3-CD1 4.49Å; W78-Y83 HydrophobicContact CZ3-CE1 4.05Å
79T96.6Very high93.7Very high35 Ų3567.9 Ų67.922%0.21534%0.344CS..BIsolated β-bridgetrans-84.3160.1175.759.60000111.2G38 E39 S40 D81 K82 Y83G38-T79 WeakPolarHBondContact O-CB 3.45Å; E39-T79 WeakPolarHBondContact O-CG2 3.41Å; S40-T79 WeakPolarHBondContact O-CA 3.14Å; T79-D81 VanDerWaalsContact C-N 3.26Å; T79-D81 PolarHBondContact O-N 2.86Å; T79-K82 PolarHBondContact O-N 2.94Å; T79-K82 WeakPolarHBondContact OG1-CB 3.5Å; T79-K82 PolarHBondContact OG1-N 2.83Å; T79-Y83 PolarHBondContact O-N 2.8Å
80L95.4Very high93.7Very high0 Ų067.3 Ų67.30%034%0.338CS..Hα-helixtrans-57.6-40.6172.8-68.6175000111.4W16 L18 V36 G38 S40 I42 V45 K82 Y83 G84 I85W16-L80 HydrophobicContact CH2-CD1 4.14Å; W16-L80 HydrophobicContact CZ2-CD1 3.92Å; L18-L80 HydrophobicContact CD2-CD1 4.37Å; L18-L80 HydrophobicContact CD2-CD2 4.47Å; V36-L80 HydrophobicContact CB-CD1 3.92Å; V36-L80 HydrophobicContact CG1-CD1 4.42Å; V36-L80 HydrophobicContact CG2-CD1 3.71Å; G38-L80 PolarHBondContact O-N 3.48Å; S40-L80 PolarHBondContact O-N 2.84Å; I42-L80 HydrophobicContact CD1-CD2 3.7Å; V45-L80 HydrophobicContact CG2-CD1 4.27Å; V45-L80 HydrophobicContact CG2-CD2 4.44Å; V45-L80 HydrophobicContact CG2-CG 4.5Å; L80-K82 VanDerWaalsContact C-N 3.33Å; L80-K82 PolarHBondContact O-N 2.67Å; L80-Y83 CarbonylContact O-C 3.59Å; L80-Y83 PolarHBondContact O-N 3.22Å; L80-G84 PolarHBondContact O-N 3.32Å; L80-I85 HydrophobicContact CB-CB 4.31Å; L80-I85 HydrophobicContact CD2-CB 4.04Å; L80-I85 HydrophobicContact CD2-CD1 3.84Å; L80-I85 HydrophobicContact CD2-CG2 4.02Å; L80-I85 PolarHBondContact O-N 2.69Å
81D94.1Very high93.7Very high93 Ų9359.9 Ų59.950%0.49731%0.31SS..Hα-helixtrans-63.2-36.8176.9-77.3-13.2000112.9G38 T79 Y83 G84G38-D81 VanDerWaalsContact C-CG 3.47Å; G38-D81 WeakPolarHBondContact CA-OD1 3.25Å; G38-D81 VanDerWaalsContact CA-OD2 3.3Å; G38-D81 WeakPolarHBondContact CA-OD2 3.25Å; G38-D81 PolarHBondContact O-N 3Å; T79-D81 VanDerWaalsContact C-N 3.26Å; T79-D81 PolarHBondContact O-N 2.86Å; D81-Y83 VanDerWaalsContact C-N 3.26Å; D81-Y83 PolarHBondContact O-N 3.03Å; D81-G84 WeakPolarHBondContact O-CA 3.45Å; D81-G84 PolarHBondContact O-N 2.77Å
82K94.8Very high93.7Very high123 Ų12357.7 Ų57.754%0.53530%0.3SS..Hα-helixtrans-64.2-33.9177.9-174.4169.9178-175.50112W78 T79 L80 G84W78-K82 HydrophobicContact CB-CD 4.16Å; W78-K82 HydrophobicContact CD2-CD 3.6Å; W78-K82 VanDerWaalsContact CD2-CE 3.49Å; W78-K82 HydrophobicContact CD2-CG 4.13Å; W78-K82 VanDerWaalsContact CE2-CE 3.42Å; W78-K82 HydrophobicContact CE3-CD 3.92Å; W78-K82 HydrophobicContact CE3-CG 3.92Å; W78-K82 HydrophobicContact CG-CD 3.68Å; W78-K82 HydrophobicContact CG-CG 4.42Å; W78-K82 HydrophobicContact CZ3-CG 4.49Å; W78-K82 VanDerWaalsContact NE1-NZ 3.12Å; T79-K82 PolarHBondContact O-N 2.94Å; T79-K82 WeakPolarHBondContact OG1-CB 3.5Å; T79-K82 PolarHBondContact OG1-N 2.83Å; L80-K82 VanDerWaalsContact C-N 3.33Å; L80-K82 PolarHBondContact O-N 2.67Å; K82-G84 VanDerWaalsContact C-N 3.34Å
83Y92.7Very high93.7Very high30 Ų3056.9 Ų56.912%0.11830%0.297CS..Hα-helixtrans-81.3-13.8170.3-78.3-75.7000113.1I42 W66 L73 Q75 W78 T79 L80 D81 I85I42-Y83 HydrophobicContact CD1-CD2 4.14Å; I42-Y83 HydrophobicContact CD1-CE2 4.28Å; I42-Y83 HydrophobicContact CG1-CD2 4.03Å; I42-Y83 HydrophobicContact CG1-CE2 3.72Å; W66-Y83 VanDerWaalsContact CZ3-O 3.26Å; W66-Y83 WeakPolarHBondContact CZ3-O 3.34Å; L73-Y83 HydrophobicContact CD2-CD1 3.72Å; L73-Y83 HydrophobicContact CD2-CD2 4.32Å; L73-Y83 HydrophobicContact CD2-CE1 3.73Å; L73-Y83 HydrophobicContact CD2-CE2 4.32Å; L73-Y83 HydrophobicContact CD2-CG 4.02Å; Q75-Y83 VanDerWaalsContact CB-OH 3.27Å; Q75-Y83 WeakPolarHBondContact CB-OH 3.31Å; Q75-Y83 PolarHBondContact N-OH 3Å; W78-Y83 HydrophobicContact CB-CD2 4.03Å; W78-Y83 HydrophobicContact CB-CE2 3.56Å; W78-Y83 HydrophobicContact CD2-CE2 4.22Å; W78-Y83 HydrophobicContact CE3-CD1 4.22Å; W78-Y83 HydrophobicContact CE3-CD2 4.12Å; W78-Y83 AromaticContact CE3-CE1 3.8Å; W78-Y83 HydrophobicContact CE3-CE1 3.8Å; W78-Y83 AromaticContact CE3-CE2 3.71Å; W78-Y83 HydrophobicContact CE3-CE2 3.71Å; W78-Y83 HydrophobicContact CE3-CG 4.37Å; W78-Y83 AromaticContact CE3-CZ 3.54Å; W78-Y83 HydrophobicContact CG-CE2 4.23Å; W78-Y83 HydrophobicContact CZ3-CD1 4.49Å; W78-Y83 HydrophobicContact CZ3-CE1 4.05Å; T79-Y83 PolarHBondContact O-N 2.8Å; L80-Y83 CarbonylContact O-C 3.59Å; L80-Y83 PolarHBondContact O-N 3.22Å; D81-Y83 VanDerWaalsContact C-N 3.26Å; D81-Y83 PolarHBondContact O-N 3.03Å; Y83-I85 HydrophobicContact CG-CD1 4.28Å
84G94.3Very high93.6Very high44 Ų4456.9 Ų56.945%0.45430%0.297SS..THydrogen-bonded Turntrans69.933.7-172.700000113.1L80 D81 K82L80-G84 PolarHBondContact O-N 3.32Å; D81-G84 WeakPolarHBondContact O-CA 3.45Å; D81-G84 PolarHBondContact O-N 2.77Å; K82-G84 VanDerWaalsContact C-N 3.34Å
85I95Very high93.5Very high0 Ų054.5 Ų54.50%029%0.286CS..  trans-83.3127.4-180-63.3169.7000109.5W16 L18 I42 W66 L73 L80 Y83 A89 L91W16-I85 HydrophobicContact CH2-CG2 4.18Å; W16-I85 WeakPolarHBondContact CZ2-O 3.43Å; L18-I85 HydrophobicContact CD1-CG2 4.3Å; I42-I85 HydrophobicContact CD1-CD1 4.32Å; W66-I85 HydrophobicContact CD2-CG1 4.43Å; W66-I85 HydrophobicContact CE3-CD1 4.35Å; W66-I85 HydrophobicContact CE3-CG1 3.94Å; W66-I85 HydrophobicContact CH2-CG1 3.96Å; W66-I85 HydrophobicContact CZ2-CG1 4.45Å; W66-I85 HydrophobicContact CZ3-CD1 4.48Å; W66-I85 HydrophobicContact CZ3-CG1 3.69Å; L73-I85 HydrophobicContact CD1-CD1 3.4Å; L73-I85 VanDerWaalsContact CD1-CD1 3.4Å; L73-I85 HydrophobicContact CD2-CD1 4.07Å; L73-I85 HydrophobicContact CG-CD1 4.4Å; L80-I85 HydrophobicContact CB-CB 4.31Å; L80-I85 HydrophobicContact CD2-CB 4.04Å; L80-I85 HydrophobicContact CD2-CD1 3.84Å; L80-I85 HydrophobicContact CD2-CG2 4.02Å; L80-I85 PolarHBondContact O-N 2.69Å; Y83-I85 HydrophobicContact CG-CD1 4.28Å; I85-A89 HydrophobicContact CG2-CB 3.67Å; I85-L91 HydrophobicContact CG2-CD1 4.25Å
86L91.2Very high93.5Very high101 Ų10152.1 Ų52.153%0.52928%0.275SS..  trans-122.7179.9178.7-59.5174.4000110.6W16 D88 A89W16-L86 VanDerWaalsContact CH2-C 3.49Å; W16-L86 VanDerWaalsContact CZ3-C 3.49Å; L86-D88 WeakPolarHBondContact CB-OD1 3.33Å; L86-D88 PolarHBondContact O-N 3.15Å; L86-D88 VanDerWaalsContact O-N 3.14Å; L86-A89 VanDerWaalsContact O-CB 3.27Å; L86-A89 WeakPolarHBondContact O-CB 3.49Å; L86-A89 PolarHBondContact O-N 3.42Å; L86-A89 VanDerWaalsContact O-N 3.08Å
87A88.3Confident93.5Very high60 Ų6051.8 Ų51.850%0.49627%0.268SS..THydrogen-bonded Turntrans-61.1-21.7-174.700000115.2W16W16-A87 HydrophobicContact CD2-CB 4.32Å; W16-A87 VanDerWaalsContact CE3-CA 3.47Å; W16-A87 HydrophobicContact CE3-CB 3.64Å; W16-A87 VanDerWaalsContact CZ3-CA 3.41Å; W16-A87 HydrophobicContact CZ3-CB 4.14Å
88D89.5Confident93.6Very high126 Ų12646.4 Ų46.467%0.67424%0.243SC*.THydrogen-bonded Turntrans-88.8-1.9179.165.4-27.7000113.6Q68 L86 R90Q68-D88 PolarHBondContact NE2-O 2.95Å; L86-D88 WeakPolarHBondContact CB-OD1 3.33Å; L86-D88 PolarHBondContact O-N 3.15Å; L86-D88 VanDerWaalsContact O-N 3.14Å; D88-R90 PolarHBondContact O-N 3.23Å
89A92.6Very high93.5Very high6 Ų644.8 Ų44.85%0.0524%0.242CC..  trans-63.7132.6177.400000111.6I85 L86 L91I85-A89 HydrophobicContact CG2-CB 3.67Å; L86-A89 VanDerWaalsContact O-CB 3.27Å; L86-A89 WeakPolarHBondContact O-CB 3.49Å; L86-A89 PolarHBondContact O-N 3.42Å; L86-A89 VanDerWaalsContact O-N 3.08Å; A89-L91 HydrophobicContact CB-CD2 4.16Å; A89-L91 HydrophobicContact CB-CG 4.15Å
90R92Very high93.5Very high125 Ų12543.1 Ų43.147%0.47223%0.231SC..  trans-98.398.8176.1-66.3170.698.6-152.89.8107.2E67 Q68 D88 F92E67-R90 HydrophobicContact CB-CB 4.45Å; E67-R90 PolarHBondContact N-O 3.28Å; E67-R90 IonicContact OE1-NH1 3.32Å; E67-R90 PolarHBondContact OE1-NH1 3.44Å; E67-R90 WeakPolarHBondContact OE2-CD 3.49Å; E67-R90 IonicContact OE2-CZ 3.22Å; E67-R90 IonicContact OE2-NE 2.68Å; E67-R90 IonicContact OE2-NH1 3.11Å; E67-R90 PolarHBondContact OE2-NH1 3.27Å; Q68-R90 VanDerWaalsContact NE2-CG 3.3Å; Q68-R90 PolarHBondContact OE1-O 3.15Å; D88-R90 PolarHBondContact O-N 3.23Å; R90-F92 HydrophobicContact CB-CE2 4.46Å
91L94.7Very high93.6Very high1 Ų144.8 Ų44.81%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-106.9134.3-175.4-60.4-171.8000110.7L18 V20 F21 I64 W65 W66 L73 I85 A89L18-L91 HydrophobicContact CD1-CD1 3.66Å; L18-L91 HydrophobicContact CD1-CG 4.4Å; L18-L91 HydrophobicContact CD2-CD1 4Å; L18-L91 HydrophobicContact CG-CD1 4.22Å; V20-L91 WeakPolarHBondContact CA-O 2.86Å; V20-L91 HydrophobicContact CG1-CB 4.21Å; V20-L91 HydrophobicContact CG2-CB 4.25Å; V20-L91 HydrophobicContact CG2-CD1 4.42Å; F21-L91 WeakPolarHBondContact CD2-O 3.42Å; F21-L91 PolarHBondContact N-O 2.84Å; I64-L91 HydrophobicContact CG2-CB 3.81Å; I64-L91 HydrophobicContact CG2-CD1 4.08Å; I64-L91 HydrophobicContact CG2-CD2 4.05Å; I64-L91 HydrophobicContact CG2-CG 4.2Å; W65-L91 CarbonylContact O-C 3.59Å; W65-L91 WeakPolarHBondContact O-CA 3.24Å; W66-L91 HydrophobicContact CB-CD2 3.71Å; W66-L91 HydrophobicContact CG-CD2 3.74Å; L73-L91 HydrophobicContact CD1-CD2 4.3Å; I85-L91 HydrophobicContact CG2-CD1 4.25Å; A89-L91 HydrophobicContact CB-CD2 4.16Å; A89-L91 HydrophobicContact CB-CG 4.15Å
92F94.3Very high93.8Very high14 Ų1440.4 Ų40.46%0.06122%0.216CC..EExtended strand (participates in β ladder)trans-116.6120.6177.4-65.5-94.2000109.4F21 E25 I64 W65 E67 R90F21-F92 HydrophobicContact CB-CD1 3.65Å; F21-F92 HydrophobicContact CB-CE1 3.84Å; F21-F92 HydrophobicContact CB-CG 4.38Å; F21-F92 HydrophobicContact CD2-CD1 4.47Å; F21-F92 HydrophobicContact CD2-CE1 4.14Å; F21-F92 HydrophobicContact CD2-CZ 4.2Å; F21-F92 HydrophobicContact CG-CD1 4.34Å; F21-F92 HydrophobicContact CG-CE1 4.07Å; F21-F92 CarbonylContact O-C 3.58Å; F21-F92 WeakPolarHBondContact O-CA 3.5Å; E25-F92 HydrophobicContact CB-CE1 4.47Å; E25-F92 HydrophobicContact CG-CD1 4.37Å; E25-F92 HydrophobicContact CG-CE1 4.47Å; E25-F92 HydrophobicContact CG-CG 4.41Å; I64-F92 CarbonylContact C-O 3.48Å; I64-F92 WeakPolarHBondContact CA-O 3.3Å; W65-F92 HydrophobicContact CB-CB 4.33Å; W65-F92 PolarHBondContact N-O 3.31Å; W65-F92 PolarHBondContact O-N 3.39Å; E67-F92 HydrophobicContact CB-CD2 4.29Å; E67-F92 HydrophobicContact CB-CE2 3.9Å; E67-F92 HydrophobicContact CG-CE2 4.42Å; R90-F92 HydrophobicContact CB-CE2 4.46Å
93F94.6Very high93.9Very high3 Ų337.7 Ų37.71%0.01320%0.203CC..EExtended strand (participates in β ladder)trans-97.4112.5173.9177-116.2000109.7V20 F21 V22 G23 L46 I49 V50 I53 W59 H62 A63 I64V20-F93 HydrophobicContact CG1-CB 3.64Å; F21-F93 PolarHBondContact O-N 2.86Å; V22-F93 HydrophobicContact CG1-CD1 4.44Å; G23-F93 PolarHBondContact N-O 2.95Å; L46-F93 HydrophobicContact CD2-CD2 3.77Å; L46-F93 HydrophobicContact CD2-CE2 3.5Å; I49-F93 HydrophobicContact CD1-CB 4.32Å; I49-F93 HydrophobicContact CD1-CD2 4.35Å; I49-F93 HydrophobicContact CD1-CG 4.27Å; I49-F93 HydrophobicContact CG2-CB 4.41Å; I49-F93 HydrophobicContact CG2-CD1 3.4Å; I49-F93 HydrophobicContact CG2-CE1 3.64Å; I49-F93 HydrophobicContact CG2-CG 3.88Å; I49-F93 HydrophobicContact CG2-CZ 4.34Å; V50-F93 HydrophobicContact CG2-CE1 4.42Å; V50-F93 HydrophobicContact CG2-CZ 4.08Å; I53-F93 HydrophobicContact CD1-CD1 3.96Å; I53-F93 HydrophobicContact CD1-CE1 3.89Å; W59-F93 HydrophobicContact CD2-CE1 4.41Å; W59-F93 HydrophobicContact CD2-CZ 4.38Å; W59-F93 AromaticContact CE3-CE1 3.5Å; W59-F93 HydrophobicContact CE3-CE1 3.5Å; W59-F93 AromaticContact CE3-CZ 3.6Å; W59-F93 HydrophobicContact CE3-CZ 3.6Å; W59-F93 HydrophobicContact CH2-CE1 4.12Å; W59-F93 HydrophobicContact CZ3-CD1 4.23Å; W59-F93 AromaticContact CZ3-CE1 3.33Å; W59-F93 HydrophobicContact CZ3-CE1 3.33Å; W59-F93 AromaticContact CZ3-CZ 3.95Å; W59-F93 HydrophobicContact CZ3-CZ 3.95Å; H62-F93 HydrophobicContact CB-CD2 4.28Å; H62-F93 HydrophobicContact CB-CE1 4.38Å; H62-F93 HydrophobicContact CB-CE2 3.45Å; H62-F93 VanDerWaalsContact CB-CE2 3.45Å; H62-F93 HydrophobicContact CB-CZ 3.53Å; A63-F93 WeakPolarHBondContact O-CA 3.35Å; I64-F93 HydrophobicContact CG1-CD2 4.19Å
94G92.6Very high94.1Very high1 Ų136.6 Ų36.61%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-162.5175.6-175.100000112.9H62 A63H62-G94 WeakPolarHBondContact CA-O 3.18Å; A63-G94 PolarHBondContact N-O 2.99Å; A63-G94 PolarHBondContact O-N 2.93Å; A63-G94 VanDerWaalsContact O-N 3.13Å
95P92.8Very high94.2Very high26 Ų2634.6 Ų34.617%0.16918%0.178CC..EExtended strand (participates in β ladder)trans-66.8141.2-17927.7-34.5000111.6D61 R98D61-P95 WeakPolarHBondContact O-CA 3.07Å; D61-P95 WeakPolarHBondContact OD2-CB 3.45Å; P95-R98 HydrophobicContact CG-CG 4.46Å; P95-R98 PolarHBondContact O-NE 2.88Å; P95-R98 VanDerWaalsContact O-NE 3.08Å
96Q94.1Very high94.2Very high36 Ų3634.9 Ų34.917%0.16818%0.179CC..SBendtrans-76.5-36.2172.6-66.5177.776.800110.9D61 A63 W72 F116 S117D61-Q96 WeakPolarHBondContact O-CB 3.44Å; D61-Q96 WeakPolarHBondContact O-CG 3.35Å; D61-Q96 PolarHBondContact O-N 2.97Å; D61-Q96 PolarHBondContact OD2-N 2.83Å; A63-Q96 HydrophobicContact CB-CG 3.7Å; W72-Q96 HydrophobicContact CE3-CG 4.36Å; W72-Q96 HydrophobicContact CH2-CG 4.18Å; W72-Q96 HydrophobicContact CZ3-CG 3.96Å; Q96-F116 WeakPolarHBondContact O-CB 3.33Å; Q96-F116 PolarHBondContact O-N 3.37Å; Q96-S117 VanDerWaalsContact OE1-CB 3.31Å; Q96-S117 PolarHBondContact OE1-OG 3.16Å
97H94.3Very high94.3Very high70 Ų7032.4 Ų32.432%0.32416%0.163SC..EExtended strand (participates in β ladder)trans-94.4110.2176.3-68.681.6000111.3D61 R113 A114D61-H97 IonicContact OD1-CE1 2.87Å; D61-H97 IonicContact OD1-CG 3.43Å; D61-H97 PolarHBondContact OD1-N 3.12Å; D61-H97 IonicContact OD1-ND1 3.13Å; D61-H97 PolarHBondContact OD1-ND1 3.46Å; D61-H97 WeakPolarHBondContact OD2-CB 3.34Å; D61-H97 PolarHBondContact OD2-N 3.14Å; D61-H97 IonicContact OD2-ND1 2.64Å; H97-R113 HydrophobicContact CB-CB 4.33Å; H97-R113 PolarHBondContact O-NH1 2.91Å; H97-R113 VanDerWaalsContact O-NH1 3.11Å; H97-A114 VanDerWaalsContact CA-O 3.31Å; H97-A114 WeakPolarHBondContact CA-O 3.43Å
98R94.5Very high94.6Very high7 Ų732 Ų323%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-114.8148.4-178.8-54.3-175.1-175.7-172.60.9111.1P95 R113 A114 F116 A243P95-R98 HydrophobicContact CG-CG 4.46Å; P95-R98 PolarHBondContact O-NE 2.88Å; P95-R98 VanDerWaalsContact O-NE 3.08Å; R98-R113 WeakPolarHBondContact O-CA 3.4Å; R98-A114 PolarHBondContact N-O 3.22Å; R98-A114 VanDerWaalsContact N-O 3.07Å; R98-A114 PolarHBondContact O-N 3.24Å; R98-F116 HydrophobicContact CB-CD2 3.73Å; R98-F116 HydrophobicContact CB-CE1 4.46Å; R98-F116 HydrophobicContact CB-CE2 3.56Å; R98-F116 HydrophobicContact CB-CG 4.3Å; R98-F116 HydrophobicContact CB-CZ 3.94Å; R98-F116 HydrophobicContact CG-CD2 4.15Å; R98-F116 HydrophobicContact CG-CE2 4.42Å; R98-F116 HydrophobicContact CG-CG 4.31Å; R98-A243 HydrophobicContact CB-CB 4.04Å
99P95.2Very high94.8Very high40 Ų4026.4 Ų26.426%0.2612%0.12SC..EExtended strand (participates in β ladder)trans-65.6139.6177.827.7-34.1000110.5L112 G244P99-L112 CarbonylContact C-O 3.32Å; P99-L112 VanDerWaalsContact CA-O 3.31Å; P99-L112 WeakPolarHBondContact CA-O 3.49Å; P99-G244 PolarHBondContact O-N 3.44Å
100V96.6Very high95Very high0 Ų026.1 Ų26.10%012%0.117CC..EExtended strand (participates in β ladder)trans-132.4154.9169-680000109.3R111 L112 A114 F116V100-R111 WeakPolarHBondContact O-CA 3.22Å; V100-L112 HydrophobicContact CG2-CD1 3.68Å; V100-L112 PolarHBondContact N-O 3.41Å; V100-L112 PolarHBondContact O-N 3.24Å; V100-L112 VanDerWaalsContact O-N 3.12Å; V100-A114 HydrophobicContact CG2-CB 3.83Å; V100-F116 HydrophobicContact CG1-CE2 3.66Å; V100-F116 HydrophobicContact CG1-CZ 3.49Å; V100-F116 VanDerWaalsContact CG1-CZ 3.49Å
101I97.6Very high95.2Very high35 Ų3524.9 Ų24.918%0.17911%0.113CC..EExtended strand (participates in β ladder)trans-97.5111.8170.9-60.9172.5000107.3A109 L110 L161 D245 V246 L247I101-A109 HydrophobicContact CG2-CB 4.12Å; I101-L110 CarbonylContact C-O 3.6Å; I101-L161 HydrophobicContact CG2-CD1 4.03Å; I101-D245 PolarHBondContact N-O 2.96Å; I101-V246 HydrophobicContact CB-CG2 4.03Å; I101-V246 HydrophobicContact CD1-CG2 4.3Å; I101-V246 HydrophobicContact CG2-CG1 4.42Å; I101-V246 HydrophobicContact CG2-CG2 4.2Å; I101-V246 CarbonylContact O-C 3.55Å; I101-V246 VanDerWaalsContact O-CA 3.29Å; I101-V246 WeakPolarHBondContact O-CA 3.47Å; I101-L247 PolarHBondContact O-N 2.7Å
102L97.4Very high95.2Very high0 Ų024.8 Ų24.80%011%0.113CC..EExtended strand (participates in β ladder)trans-96.6114.1179.6-164.567.7000110L104 A109 L110 L112 I127 L131 L141 L247 L249L102-L104 HydrophobicContact CD2-CD2 4.18Å; L102-L104 HydrophobicContact CG-CD2 4.49Å; L102-A109 WeakPolarHBondContact O-CA 3.44Å; L102-L110 HydrophobicContact CB-CD1 4Å; L102-L110 HydrophobicContact CD2-CD1 4.47Å; L102-L110 PolarHBondContact N-O 2.73Å; L102-L110 PolarHBondContact O-N 2.82Å; L102-L112 HydrophobicContact CD2-CD2 4.04Å; L102-I127 HydrophobicContact CD2-CG2 3.62Å; L102-L131 HydrophobicContact CD2-CD1 3.98Å; L102-L141 HydrophobicContact CD1-CD2 3.58Å; L102-L247 CarbonylContact C-O 3.41Å; L102-L247 WeakPolarHBondContact CA-O 3.39Å; L102-L247 HydrophobicContact CD1-CB 4.26Å; L102-L249 HydrophobicContact CD1-CB 3.92Å; L102-L249 HydrophobicContact CD2-CB 4.01Å; L102-L249 HydrophobicContact CD2-CD2 4.14Å; L102-L249 HydrophobicContact CG-CB 3.99Å
103R97.1Very high95.3Very high67 Ų6730.2 Ų30.225%0.25313%0.132SC..EExtended strand (participates in β ladder)trans-85.7124.8169.1-160.4175-170.710715.1109.1R107 R108 E159 L247 W248 L249R103-R107 PolarHBondContact NH2-O 3.34Å; R103-R108 WeakPolarHBondContact CA-O 3.43Å; R103-E159 IonicContact CZ-OE1 3.23Å; R103-E159 VanDerWaalsContact CZ-OE1 3.32Å; R103-E159 IonicContact CZ-OE2 2.8Å; R103-E159 IonicContact NH1-OE1 2.71Å; R103-E159 IonicContact NH1-OE2 2.9Å; R103-E159 PolarHBondContact NH1-OE2 2.79Å; R103-E159 IonicContact NH2-OE1 3.13Å; R103-E159 PolarHBondContact NH2-OE1 3.3Å; R103-E159 IonicContact NH2-OE2 3.01Å; R103-E159 PolarHBondContact NH2-OE2 2.85Å; R103-L247 PolarHBondContact N-O 2.71Å; R103-W248 HydrophobicContact CB-CG 4.09Å; R103-W248 CarbonylContact O-C 3.52Å; R103-W248 WeakPolarHBondContact O-CA 3.32Å; R103-L249 PolarHBondContact O-N 2.88Å
104L97.6Very high95.3Very high6 Ų630.2 Ų30.23%0.03113%0.133CC..  trans-91.3165.9-174.3-64.1169.8000111.8L102 N106 R107 R108 L110 L131 M197 L198 L249L102-L104 HydrophobicContact CD2-CD2 4.18Å; L102-L104 HydrophobicContact CG-CD2 4.49Å; L104-N106 VanDerWaalsContact CB-OD1 3.3Å; L104-N106 WeakPolarHBondContact CB-OD1 3.28Å; L104-N106 PolarHBondContact O-N 3.13Å; L104-R107 WeakPolarHBondContact O-CA 3.09Å; L104-R107 PolarHBondContact O-N 3.07Å; L104-R108 PolarHBondContact N-O 3.29Å; L104-L110 HydrophobicContact CD1-CD2 3.81Å; L104-L110 HydrophobicContact CD1-CG 4.37Å; L104-L110 HydrophobicContact CD2-CD2 4.44Å; L104-L110 HydrophobicContact CG-CD2 4.41Å; L104-L131 HydrophobicContact CD2-CD1 3.97Å; L104-M197 HydrophobicContact CD1-CE 3.8Å; L104-M197 HydrophobicContact CD1-SD 3.89Å; L104-L198 HydrophobicContact CD1-CD2 3.43Å; L104-L198 VanDerWaalsContact CD1-CD2 3.43Å; L104-L198 HydrophobicContact CD2-CD2 4.4Å; L104-L249 HydrophobicContact CD2-CD2 4.13Å
105P96.8Very high95.5Very high3 Ų330.3 Ų30.32%0.01913%0.134CC..THydrogen-bonded Turntrans-57.6-32.1174.5-27.435.9000114.7R107 L249 Q270 Q274P105-R107 PolarHBondContact O-N 3.21Å; P105-R107 VanDerWaalsContact O-N 3.11Å; P105-L249 VanDerWaalsContact CD-O 3.26Å; P105-L249 WeakPolarHBondContact CD-O 3.49Å; P105-L249 WeakPolarHBondContact CG-O 3.35Å; P105-Q270 HydrophobicContact CB-CB 4.49Å; P105-Q270 WeakPolarHBondContact CB-O 3.13Å; P105-Q270 HydrophobicContact CG-CB 4.29Å; P105-Q274 HydrophobicContact CB-CB 3.93Å
106N95.3Very high95.7Very high5 Ų529.1 Ų29.13%0.02713%0.126CC..THydrogen-bonded Turntrans-71.34.7172.173.51.3000114.4L104 R108 M197 Q202 Q270 E273L104-N106 VanDerWaalsContact CB-OD1 3.3Å; L104-N106 WeakPolarHBondContact CB-OD1 3.28Å; L104-N106 PolarHBondContact O-N 3.13Å; N106-R108 PolarHBondContact O-N 3Å; N106-R108 VanDerWaalsContact OD1-CB 3.31Å; N106-R108 WeakPolarHBondContact OD1-CB 3.23Å; N106-R108 PolarHBondContact OD1-N 2.81Å; N106-M197 PolarHBondContact ND2-O 2.85Å; N106-M197 VanDerWaalsContact ND2-O 3.13Å; N106-M197 PolarHBondContact ND2-SD 2.94Å; N106-Q202 HydrophobicContact CB-CG 4.06Å; N106-Q270 PolarHBondContact ND2-NE2 3.22Å; N106-E273 HydrophobicContact CB-CB 3.85Å; N106-E273 HydrophobicContact CB-CG 3.67Å
107R92.2Very high95.7Very high50 Ų5028 Ų2819%0.18912%0.122CC..SBendtrans64.712.1179.8-52.2-172.994.1174.615.4115.8R103 L104 P105 W277R103-R107 PolarHBondContact NH2-O 3.34Å; L104-R107 WeakPolarHBondContact O-CA 3.09Å; L104-R107 PolarHBondContact O-N 3.07Å; P105-R107 PolarHBondContact O-N 3.21Å; P105-R107 VanDerWaalsContact O-N 3.11Å; R107-W277 HydrophobicContact CG-CD2 4.09Å; R107-W277 HydrophobicContact CG-CG 4.09Å; R107-W277 HydrophobicContact CG-CZ2 4.25Å
108R94.5Very high95.7Very high51 Ų5127.9 Ų27.919%0.19212%0.122CC..  trans-83.5165.3166.4-56.1-69.1-75.6175-10.7110.1R103 L104 N106 E160 Y162 M197R103-R108 WeakPolarHBondContact CA-O 3.43Å; L104-R108 PolarHBondContact N-O 3.29Å; N106-R108 PolarHBondContact O-N 3Å; N106-R108 VanDerWaalsContact OD1-CB 3.31Å; N106-R108 WeakPolarHBondContact OD1-CB 3.23Å; N106-R108 PolarHBondContact OD1-N 2.81Å; R108-E160 IonicContact CZ-OE2 3.82Å; R108-E160 IonicContact NH2-OE2 3.79Å; R108-E160 PolarHBondContact NH2-OE2 3.21Å; R108-Y162 PolarHBondContact NH2-OH 3.26Å; R108-M197 HydrophobicContact CB-CG 4.3Å; R108-M197 HydrophobicContact CB-SD 3.69Å; R108-M197 HydrophobicContact CG-CG 4.07Å; R108-M197 HydrophobicContact CG-SD 3.95Å
109A94.5Very high95.7Very high8 Ų829.2 Ų29.27%0.06613%0.131CC..EExtended strand (participates in β ladder)trans-124.4144.317800000111.1I101 L102 L161 Y162I101-A109 HydrophobicContact CG2-CB 4.12Å; L102-A109 WeakPolarHBondContact O-CA 3.44Å; A109-L161 HydrophobicContact CB-CD1 3.93Å; A109-Y162 PolarHBondContact O-N 2.91Å
110L95.6Very high95.8Very high0 Ų027.3 Ų27.30%012%0.119CC..EExtended strand (participates in β ladder)trans-133.5151.9168.861.280.2000110.4I101 L102 L104 L112 L131 Y162 L164 M197 L198I101-L110 CarbonylContact C-O 3.6Å; L102-L110 HydrophobicContact CB-CD1 4Å; L102-L110 HydrophobicContact CD2-CD1 4.47Å; L102-L110 PolarHBondContact N-O 2.73Å; L102-L110 PolarHBondContact O-N 2.82Å; L104-L110 HydrophobicContact CD1-CD2 3.81Å; L104-L110 HydrophobicContact CD1-CG 4.37Å; L104-L110 HydrophobicContact CD2-CD2 4.44Å; L104-L110 HydrophobicContact CG-CD2 4.41Å; L110-L112 HydrophobicContact CD1-CB 4.04Å; L110-L112 HydrophobicContact CD1-CD2 3.44Å; L110-L112 VanDerWaalsContact CD1-CD2 3.44Å; L110-L112 HydrophobicContact CD1-CG 3.71Å; L110-L131 HydrophobicContact CD1-CD2 4.45Å; L110-L131 HydrophobicContact CD2-CD2 3.66Å; L110-Y162 CarbonylContact C-O 3.53Å; L110-Y162 WeakPolarHBondContact CA-O 3.42Å; L110-L164 HydrophobicContact CD1-CD1 4.44Å; L110-L164 HydrophobicContact CD2-CD1 4.15Å; L110-M197 HydrophobicContact CD2-CE 4.23Å; L110-L198 HydrophobicContact CD2-CD2 4.26Å
111R96.9Very high95.8Very high99 Ų9927.6 Ų27.637%0.37412%0.12SC..EExtended strand (participates in β ladder)trans-97.3128.6171.8179.3179.5-72.8175-3.6108.4V100 L161 Y162 L164 S165V100-R111 WeakPolarHBondContact O-CA 3.22Å; R111-L161 HydrophobicContact CB-CD1 4.43Å; R111-L161 HydrophobicContact CB-CD2 4.42Å; R111-L161 HydrophobicContact CB-CG 4.47Å; R111-Y162 PolarHBondContact N-O 3.22Å; R111-L164 PolarHBondContact O-N 3.37Å; R111-S165 PolarHBondContact O-N 2.92Å
112L95.8Very high95.6Very high0 Ų028.4 Ų28.40%012%0.123CC..EExtended strand (participates in β ladder)trans-142.3168.1172.957.871.8000110.2P99 V100 L102 L110 A114 I127 L130 L164P99-L112 CarbonylContact C-O 3.32Å; P99-L112 VanDerWaalsContact CA-O 3.31Å; P99-L112 WeakPolarHBondContact CA-O 3.49Å; V100-L112 HydrophobicContact CG2-CD1 3.68Å; V100-L112 PolarHBondContact N-O 3.41Å; V100-L112 PolarHBondContact O-N 3.24Å; V100-L112 VanDerWaalsContact O-N 3.12Å; L102-L112 HydrophobicContact CD2-CD2 4.04Å; L110-L112 HydrophobicContact CD1-CB 4.04Å; L110-L112 HydrophobicContact CD1-CD2 3.44Å; L110-L112 VanDerWaalsContact CD1-CD2 3.44Å; L110-L112 HydrophobicContact CD1-CG 3.71Å; L112-A114 HydrophobicContact CD1-CB 4.1Å; L112-I127 HydrophobicContact CD1-CD1 4.39Å; L112-I127 HydrophobicContact CD1-CG1 4.08Å; L112-I127 HydrophobicContact CD2-CG1 4.43Å; L112-I127 HydrophobicContact CD2-CG2 4.08Å; L112-L130 HydrophobicContact CB-CD2 4.15Å; L112-L130 HydrophobicContact CD2-CD2 4.03Å; L112-L164 HydrophobicContact CB-CB 4.3Å
113R94.9Very high95.6Very high127 Ų12728.5 Ų28.548%0.47912%0.124SC..EExtended strand (participates in β ladder)trans-91.5127.7170-70.8179.8173.7-106.42.9109.3H97 R98 S165H97-R113 HydrophobicContact CB-CB 4.33Å; H97-R113 PolarHBondContact O-NH1 2.91Å; H97-R113 VanDerWaalsContact O-NH1 3.11Å; R98-R113 WeakPolarHBondContact O-CA 3.4Å; R113-S165 WeakPolarHBondContact CD-O 3.39Å; R113-S165 PolarHBondContact NE-O 3.16Å
114A95.7Very high95.6Very high3 Ų325.4 Ų25.43%0.02511%0.112CC..EExtended strand (participates in β ladder)trans-115.9154.1174.500000109.7H97 R98 V100 L112 F116 I127 L236H97-A114 VanDerWaalsContact CA-O 3.31Å; H97-A114 WeakPolarHBondContact CA-O 3.43Å; R98-A114 PolarHBondContact N-O 3.22Å; R98-A114 VanDerWaalsContact N-O 3.07Å; R98-A114 PolarHBondContact O-N 3.24Å; V100-A114 HydrophobicContact CG2-CB 3.83Å; L112-A114 HydrophobicContact CD1-CB 4.1Å; A114-F116 VanDerWaalsContact O-CD2 3.31Å; A114-F116 WeakPolarHBondContact O-CD2 3.39Å; A114-I127 HydrophobicContact CB-CD1 4.03Å; A114-I127 HydrophobicContact CB-CG1 4.48Å; A114-L236 HydrophobicContact CB-CD1 4.15Å
115S96Very high95.4Very high4 Ų425.5 Ų25.53%0.02811%0.114CC..EExtended strand (participates in β ladder)trans-75.2125.4174.7-179.40000110.8S117 Q118 L236S115-S117 PolarHBondContact OG-OG 3.43Å; S115-Q118 WeakPolarHBondContact OG-CB 3.47Å; S115-Q118 WeakPolarHBondContact OG-CG 3.39Å; S115-Q118 PolarHBondContact OG-N 2.9Å; S115-Q118 PolarHBondContact OG-OE1 2.95Å; S115-L236 WeakPolarHBondContact O-CD1 3.3Å
116F96.6Very high95.2Very high0 Ų027.2 Ų27.20%013%0.128CC..SBendtrans-97.6-3.9175.5-78.5-122.4000112.5W72 Q96 R98 V100 A114 C235 L236 M237 I241W72-F116 HydrophobicContact CZ2-CB 4.26Å; W72-F116 PolarHBondContact NE1-O 3.04Å; Q96-F116 WeakPolarHBondContact O-CB 3.33Å; Q96-F116 PolarHBondContact O-N 3.37Å; R98-F116 HydrophobicContact CB-CD2 3.73Å; R98-F116 HydrophobicContact CB-CE1 4.46Å; R98-F116 HydrophobicContact CB-CE2 3.56Å; R98-F116 HydrophobicContact CB-CG 4.3Å; R98-F116 HydrophobicContact CB-CZ 3.94Å; R98-F116 HydrophobicContact CG-CD2 4.15Å; R98-F116 HydrophobicContact CG-CE2 4.42Å; R98-F116 HydrophobicContact CG-CG 4.31Å; V100-F116 HydrophobicContact CG1-CE2 3.66Å; V100-F116 HydrophobicContact CG1-CZ 3.49Å; V100-F116 VanDerWaalsContact CG1-CZ 3.49Å; A114-F116 VanDerWaalsContact O-CD2 3.31Å; A114-F116 WeakPolarHBondContact O-CD2 3.39Å; F116-C235 WeakPolarHBondContact O-CB 3.43Å; F116-C235 PolarHBondContact O-SG 3.26Å; F116-C235 VanDerWaalsContact O-SG 3.34Å; F116-L236 HydrophobicContact CB-CB 4.47Å; F116-L236 HydrophobicContact CD1-CB 3.89Å; F116-L236 HydrophobicContact CD2-CB 4.49Å; F116-L236 HydrophobicContact CD2-CD1 3.93Å; F116-L236 HydrophobicContact CE1-CB 4.25Å; F116-L236 HydrophobicContact CE2-CD1 3.85Å; F116-L236 HydrophobicContact CG-CB 4.04Å; F116-L236 HydrophobicContact CG-CD1 4.32Å; F116-L236 HydrophobicContact CZ-CD1 4.23Å; F116-M237 HydrophobicContact CB-CE 3.98Å; F116-M237 HydrophobicContact CD1-CE 3.76Å; F116-M237 HydrophobicContact CD1-SD 4.32Å; F116-M237 HydrophobicContact CG-CE 4.27Å; F116-I241 HydrophobicContact CE1-CB 4.31Å; F116-I241 HydrophobicContact CE1-CG2 3.9Å; F116-I241 WeakPolarHBondContact CE1-O 3.48Å; F116-I241 HydrophobicContact CZ-CG2 4.06Å
117S95.2Very high95.3Very high12 Ų1227.2 Ų27.28%0.08413%0.128CC..SBendtrans-103-32.9-179.162.50000113.8Q96 S115Q96-S117 VanDerWaalsContact OE1-CB 3.31Å; Q96-S117 PolarHBondContact OE1-OG 3.16Å; S115-S117 PolarHBondContact OG-OG 3.43Å
118Q93.9Very high95.4Very high69 Ų6924.8 Ų24.832%0.32212%0.119SC..SBendtrans-75153.6177.1-71.4175.8-47.300112S115 Q122 C235S115-Q118 WeakPolarHBondContact OG-CB 3.47Å; S115-Q118 WeakPolarHBondContact OG-CG 3.39Å; S115-Q118 PolarHBondContact OG-N 2.9Å; S115-Q118 PolarHBondContact OG-OE1 2.95Å; Q118-Q122 HydrophobicContact CB-CB 4.19Å; Q118-C235 WeakPolarHBondContact O-CA 3.16Å; Q118-C235 WeakPolarHBondContact O-CB 3.38Å
119P95Very high95.3Very high35 Ų3528.7 Ų28.723%0.22713%0.134CC..BIsolated β-bridgetrans-49.7143164.5-24.734000111F121 Q122 A123P119-F121 PolarHBondContact O-N 2.95Å; P119-F121 VanDerWaalsContact O-N 3.16Å; P119-Q122 PolarHBondContact O-N 2.93Å; P119-A123 PolarHBondContact O-N 3.43Å; P119-A123 VanDerWaalsContact O-N 3.12Å
120L97.1Very high95.1Very high0 Ų029.1 Ų29.10%014%0.135CC..Hα-helixtrans-57.6-34.5-174.916972.4000112.7Q122 A123 V124 L141 L230 D231 S232 R234 L236L120-Q122 VanDerWaalsContact C-N 3.33Å; L120-Q122 PolarHBondContact O-N 2.86Å; L120-A123 PolarHBondContact O-N 3.04Å; L120-V124 HydrophobicContact CD1-CG2 3.93Å; L120-V124 HydrophobicContact CG-CG2 4.17Å; L120-V124 WeakPolarHBondContact O-CB 3.43Å; L120-V124 WeakPolarHBondContact O-CG2 3.31Å; L120-V124 PolarHBondContact O-N 3.37Å; L120-L141 HydrophobicContact CD1-CB 4.06Å; L120-L141 HydrophobicContact CD1-CD1 3.66Å; L120-L141 HydrophobicContact CD1-CG 3.94Å; L120-L230 HydrophobicContact CD2-CB 3.32Å; L120-L230 HydrophobicContact CD2-CD1 4.48Å; L120-D231 WeakPolarHBondContact CB-O 3.44Å; L120-S232 PolarHBondContact N-O 3.5Å; L120-R234 VanDerWaalsContact CB-O 3.27Å; L120-R234 WeakPolarHBondContact CB-O 3.27Å; L120-R234 PolarHBondContact N-O 3.32Å; L120-L236 HydrophobicContact CD1-CD2 3.8Å; L120-L236 HydrophobicContact CD1-CG 4.5Å
121F96Very high95.1Very high6 Ų629.1 Ų29.13%0.02614%0.135CC..Hα-helixtrans-53.7-48.5175.1-179.3-110000112.4P119 V124 A125 E137 S232 E650 F653P119-F121 PolarHBondContact O-N 2.95Å; P119-F121 VanDerWaalsContact O-N 3.16Å; F121-V124 PolarHBondContact O-N 3.49Å; F121-A125 PolarHBondContact O-N 3.29Å; F121-E137 HydrophobicContact CE2-CB 3.9Å; F121-E137 HydrophobicContact CZ-CB 4.24Å; F121-S232 PolarHBondContact N-O 2.89Å; F121-E650 HydrophobicContact CD1-CB 4.43Å; F121-E650 HydrophobicContact CE1-CB 4.06Å; F121-E650 HydrophobicContact CE1-CG 3.93Å; F121-F653 HydrophobicContact CB-CD1 4.21Å; F121-F653 HydrophobicContact CB-CE1 3.95Å; F121-F653 HydrophobicContact CD1-CD1 4.06Å; F121-F653 AromaticContact CD2-CD1 3.62Å; F121-F653 HydrophobicContact CD2-CD1 3.62Å; F121-F653 AromaticContact CD2-CE1 3.38Å; F121-F653 HydrophobicContact CD2-CE1 3.38Å; F121-F653 HydrophobicContact CD2-CE2 4.31Å; F121-F653 HydrophobicContact CD2-CG 4.19Å; F121-F653 AromaticContact CD2-CZ 3.76Å; F121-F653 HydrophobicContact CD2-CZ 3.76Å; F121-F653 HydrophobicContact CE1-CD1 4.33Å; F121-F653 HydrophobicContact CE1-CG 4.49Å; F121-F653 AromaticContact CE2-CD1 3.91Å; F121-F653 HydrophobicContact CE2-CD1 3.91Å; F121-F653 HydrophobicContact CE2-CD2 4.13Å; F121-F653 AromaticContact CE2-CE1 3.97Å; F121-F653 HydrophobicContact CE2-CE1 3.97Å; F121-F653 HydrophobicContact CE2-CE2 4.17Å; F121-F653 AromaticContact CE2-CG 4Å; F121-F653 HydrophobicContact CE2-CG 4Å; F121-F653 HydrophobicContact CE2-CZ 4.09Å; F121-F653 AromaticContact CG-CD1 3.69Å; F121-F653 HydrophobicContact CG-CD1 3.69Å; F121-F653 AromaticContact CG-CE1 3.7Å; F121-F653 HydrophobicContact CG-CE1 3.7Å; F121-F653 HydrophobicContact CZ-CB 4.45Å; F121-F653 HydrophobicContact CZ-CD1 4.26Å; F121-F653 HydrophobicContact CZ-CG 4.16Å
122Q94.3Very high94.8Very high52 Ų5226 Ų2624%0.24313%0.129CC..Hα-helixtrans-68.2-39.3177.8-69.8179.2-9.600112Q118 P119 L120 V124 A125 A126 E650Q118-Q122 HydrophobicContact CB-CB 4.19Å; P119-Q122 PolarHBondContact O-N 2.93Å; L120-Q122 VanDerWaalsContact C-N 3.33Å; L120-Q122 PolarHBondContact O-N 2.86Å; Q122-V124 VanDerWaalsContact C-N 3.31Å; Q122-V124 PolarHBondContact O-N 3.35Å; Q122-A125 PolarHBondContact O-N 3.4Å; Q122-A126 PolarHBondContact O-N 3.36Å; Q122-E650 VanDerWaalsContact CG-OE2 3.32Å; Q122-E650 WeakPolarHBondContact CG-OE2 3.49Å; Q122-E650 PolarHBondContact NE2-OE2 2.52Å
123A96Very high94.7Very high1 Ų126.4 Ų26.41%0.00813%0.131CC..Hα-helixtrans-61.5-40.8175.200000111.5P119 L120 A126 I127P119-A123 PolarHBondContact O-N 3.43Å; P119-A123 VanDerWaalsContact O-N 3.12Å; L120-A123 PolarHBondContact O-N 3.04Å; A123-A126 PolarHBondContact O-N 3.18Å; A123-I127 VanDerWaalsContact O-CG1 3.25Å; A123-I127 WeakPolarHBondContact O-CG1 3.06Å; A123-I127 PolarHBondContact O-N 2.86Å
124V97.4Very high94.6Very high2 Ų224.3 Ų24.31%0.01212%0.123CC..Hα-helixtrans-64.5-44.6173.4170.80000110.9L120 F121 Q122 A126 I127 C128 L139 L141L120-V124 HydrophobicContact CD1-CG2 3.93Å; L120-V124 HydrophobicContact CG-CG2 4.17Å; L120-V124 WeakPolarHBondContact O-CB 3.43Å; L120-V124 WeakPolarHBondContact O-CG2 3.31Å; L120-V124 PolarHBondContact O-N 3.37Å; F121-V124 PolarHBondContact O-N 3.49Å; Q122-V124 VanDerWaalsContact C-N 3.31Å; Q122-V124 PolarHBondContact O-N 3.35Å; V124-A126 VanDerWaalsContact C-N 3.3Å; V124-A126 PolarHBondContact O-N 3.36Å; V124-I127 PolarHBondContact O-N 3.4Å; V124-I127 VanDerWaalsContact O-N 3.15Å; V124-C128 WeakPolarHBondContact O-CB 3.35Å; V124-C128 PolarHBondContact O-N 2.91Å; V124-C128 PolarHBondContact O-SG 3.15Å; V124-L139 HydrophobicContact CG1-CB 4.37Å; V124-L141 HydrophobicContact CG2-CD1 4.39Å; V124-L141 HydrophobicContact CG2-CD2 4.47Å; V124-L141 HydrophobicContact CG2-CG 3.81Å
125A94.3Very high94.5Very high9 Ų925.3 Ų25.37%0.07413%0.126CC..Hα-helixtrans-58.4-42.1176.300000112.3F121 Q122 R129 P136F121-A125 PolarHBondContact O-N 3.29Å; Q122-A125 PolarHBondContact O-N 3.4Å; A125-R129 VanDerWaalsContact O-CB 3.3Å; A125-R129 WeakPolarHBondContact O-CB 3.23Å; A125-R129 PolarHBondContact O-N 3.23Å; A125-P136 HydrophobicContact CB-CB 4.06Å; A125-P136 HydrophobicContact CB-CG 3.93Å
126A92.6Very high94.4Very high38 Ų3826 Ų2631%0.31413%0.131SC..Hα-helixtrans-65-42.1174.600000112.5Q122 A123 V124 R129 L130Q122-A126 PolarHBondContact O-N 3.36Å; A123-A126 PolarHBondContact O-N 3.18Å; V124-A126 VanDerWaalsContact C-N 3.3Å; V124-A126 PolarHBondContact O-N 3.36Å; A126-R129 PolarHBondContact O-N 3Å; A126-L130 PolarHBondContact O-N 3.36Å
127I96Very high94.3Very high5 Ų526 Ų263%0.02613%0.131CC..Hα-helixtrans-61.9-49.9175-71.4165.3000110.6L102 L112 A114 A123 V124 R129 L130 L131 L141L102-I127 HydrophobicContact CD2-CG2 3.62Å; L112-I127 HydrophobicContact CD1-CD1 4.39Å; L112-I127 HydrophobicContact CD1-CG1 4.08Å; L112-I127 HydrophobicContact CD2-CG1 4.43Å; L112-I127 HydrophobicContact CD2-CG2 4.08Å; A114-I127 HydrophobicContact CB-CD1 4.03Å; A114-I127 HydrophobicContact CB-CG1 4.48Å; A123-I127 VanDerWaalsContact O-CG1 3.25Å; A123-I127 WeakPolarHBondContact O-CG1 3.06Å; A123-I127 PolarHBondContact O-N 2.86Å; V124-I127 PolarHBondContact O-N 3.4Å; V124-I127 VanDerWaalsContact O-N 3.15Å; I127-R129 VanDerWaalsContact C-N 3.32Å; I127-R129 PolarHBondContact O-N 2.89Å; I127-L130 WeakPolarHBondContact O-CB 3.47Å; I127-L130 PolarHBondContact O-N 3.05Å; I127-L130 VanDerWaalsContact O-N 3.16Å; I127-L131 HydrophobicContact CG2-CD1 3.84Å; I127-L131 HydrophobicContact CG2-CG 4.39Å; I127-L131 VanDerWaalsContact O-CG 3.3Å; I127-L131 WeakPolarHBondContact O-CG 3.39Å; I127-L131 PolarHBondContact O-N 3.2Å; I127-L141 HydrophobicContact CD1-CD1 4.07Å
128C95.6Very high94.4Very high0 Ų025.5 Ų25.50%013%0.127CC..Hα-helixtrans-61.1-40.6178.8-75.60000111.6V124 L130 L131 S132 I133 P136V124-C128 WeakPolarHBondContact O-CB 3.35Å; V124-C128 PolarHBondContact O-N 2.91Å; V124-C128 PolarHBondContact O-SG 3.15Å; C128-L130 PolarHBondContact O-N 3.07Å; C128-L131 CarbonylContact O-C 3.6Å; C128-L131 PolarHBondContact O-N 3.36Å; C128-S132 PolarHBondContact O-N 2.67Å; C128-I133 HydrophobicContact CB-CB 4.04Å; C128-I133 HydrophobicContact CB-CG2 4.36Å; C128-I133 WeakPolarHBondContact CB-O 3.4Å; C128-I133 PolarHBondContact O-N 2.89Å; C128-P136 HydrophobicContact CB-CB 3.75Å
129R91.3Very high94.6Very high133 Ų13322.5 Ų22.550%0.50211%0.114SC..Hα-helixtrans-58.8-45.8173-172.2-174.9-60.8129.11111.7A125 A126 I127 L131 S132 L169A125-R129 VanDerWaalsContact O-CB 3.3Å; A125-R129 WeakPolarHBondContact O-CB 3.23Å; A125-R129 PolarHBondContact O-N 3.23Å; A126-R129 PolarHBondContact O-N 3Å; I127-R129 VanDerWaalsContact C-N 3.32Å; I127-R129 PolarHBondContact O-N 2.89Å; R129-L131 VanDerWaalsContact C-N 3.3Å; R129-L131 PolarHBondContact O-N 2.89Å; R129-S132 PolarHBondContact O-N 2.76Å; R129-L169 HydrophobicContact CG-CD1 4.3Å
130L91.6Very high94.7Very high16 Ų1620.9 Ų20.98%0.08410%0.103CC..Hα-helixtrans-60-40.6175.4178.164.6000112.3L112 A126 I127 C128 S132 V167 L169 H184 F185L112-L130 HydrophobicContact CB-CD2 4.15Å; L112-L130 HydrophobicContact CD2-CD2 4.03Å; A126-L130 PolarHBondContact O-N 3.36Å; I127-L130 WeakPolarHBondContact O-CB 3.47Å; I127-L130 PolarHBondContact O-N 3.05Å; I127-L130 VanDerWaalsContact O-N 3.16Å; C128-L130 PolarHBondContact O-N 3.07Å; L130-S132 VanDerWaalsContact C-N 3.29Å; L130-S132 PolarHBondContact O-N 2.95Å; L130-V167 HydrophobicContact CD1-CB 4.1Å; L130-V167 HydrophobicContact CD1-CG1 3.57Å; L130-L169 HydrophobicContact CB-CD1 4.21Å; L130-L169 HydrophobicContact CD1-CD1 4.07Å; L130-L169 HydrophobicContact CD1-CG 4.14Å; L130-H184 PolarHBondContact O-NE2 2.81Å; L130-F185 WeakPolarHBondContact O-CE2 3.4Å; L130-F185 VanDerWaalsContact O-CZ 3.28Å; L130-F185 WeakPolarHBondContact O-CZ 3.41Å
131L94.3Very high94.8Very high0 Ų020.9 Ų20.90%010%0.103CC..THydrogen-bonded Turntrans-84.52.6-178.9-59.9179.6000113.8L102 L104 L110 I127 C128 R129 I133 L164 L198 L249 V266L102-L131 HydrophobicContact CD2-CD1 3.98Å; L104-L131 HydrophobicContact CD2-CD1 3.97Å; L110-L131 HydrophobicContact CD1-CD2 4.45Å; L110-L131 HydrophobicContact CD2-CD2 3.66Å; I127-L131 HydrophobicContact CG2-CD1 3.84Å; I127-L131 HydrophobicContact CG2-CG 4.39Å; I127-L131 VanDerWaalsContact O-CG 3.3Å; I127-L131 WeakPolarHBondContact O-CG 3.39Å; I127-L131 PolarHBondContact O-N 3.2Å; C128-L131 CarbonylContact O-C 3.6Å; C128-L131 PolarHBondContact O-N 3.36Å; R129-L131 VanDerWaalsContact C-N 3.3Å; R129-L131 PolarHBondContact O-N 2.89Å; L131-I133 HydrophobicContact CB-CD1 4Å; L131-I133 HydrophobicContact CB-CG1 4.18Å; L131-I133 HydrophobicContact CD1-CD1 4.39Å; L131-L164 HydrophobicContact CD2-CD1 3.95Å; L131-L198 HydrophobicContact CD2-CD1 3.89Å; L131-L198 HydrophobicContact CD2-CD2 4.34Å; L131-L249 HydrophobicContact CD1-CD2 3.91Å; L131-V266 WeakPolarHBondContact O-CG1 3.49Å
132S91.7Very high94.8Very high35 Ų3520.6 Ų20.625%0.24510%0.102CC..THydrogen-bonded Turntrans59.441.2-176.4-165.50000114C128 R129 L130C128-S132 PolarHBondContact O-N 2.67Å; R129-S132 PolarHBondContact O-N 2.76Å; L130-S132 VanDerWaalsContact C-N 3.29Å; L130-S132 PolarHBondContact O-N 2.95Å
133I94.3Very high94.9Very high8 Ų822.6 Ų22.64%0.04111%0.107CC..  trans-106.9111.7175.2-62.4172.5000108.1C128 L131 L139 L249 V266 R267C128-I133 HydrophobicContact CB-CB 4.04Å; C128-I133 HydrophobicContact CB-CG2 4.36Å; C128-I133 WeakPolarHBondContact CB-O 3.4Å; C128-I133 PolarHBondContact O-N 2.89Å; L131-I133 HydrophobicContact CB-CD1 4Å; L131-I133 HydrophobicContact CB-CG1 4.18Å; L131-I133 HydrophobicContact CD1-CD1 4.39Å; I133-L139 HydrophobicContact CG2-CD1 3.82Å; I133-L139 HydrophobicContact CG2-CD2 4.26Å; I133-L249 HydrophobicContact CD1-CD2 4.23Å; I133-V266 HydrophobicContact CD1-CG1 4.31Å; I133-V266 HydrophobicContact CG1-CG1 3.81Å; I133-R267 HydrophobicContact CG2-CB 4.06Å; I133-R267 HydrophobicContact CG2-CG 4.16Å
134R92.1Very high94.6Very high83 Ų8323.9 Ų23.931%0.31312%0.118SC..SBendtrans-70.7166.3169.4-66.1-164.2-56.2141.74.2111D258 T263 D264 R267R134-D258 IonicContact CZ-OD2 3.46Å; R134-D258 IonicContact NH1-OD2 2.95Å; R134-D258 PolarHBondContact NH1-OD2 2.78Å; R134-D258 PolarHBondContact NH2-O 2.68Å; R134-D258 IonicContact NH2-OD2 3.8Å; R134-D258 PolarHBondContact NH2-OD2 2.86Å; R134-D258 VanDerWaalsContact NH2-OD2 3.13Å; R134-T263 PolarHBondContact NH2-OG1 3.27Å; R134-D264 WeakPolarHBondContact CB-OD1 3.46Å; R134-D264 WeakPolarHBondContact CD-OD1 3.35Å; R134-D264 VanDerWaalsContact CG-OD1 3.28Å; R134-D264 WeakPolarHBondContact CG-OD1 3.32Å; R134-D264 IonicContact CZ-OD1 3.37Å; R134-D264 IonicContact CZ-OD2 3.92Å; R134-D264 VanDerWaalsContact NE-CG 3.31Å; R134-D264 IonicContact NE-OD1 3.58Å; R134-D264 PolarHBondContact NE-OD1 3.08Å; R134-D264 IonicContact NE-OD2 2.68Å; R134-D264 PolarHBondContact NE-OD2 2.92Å; R134-D264 IonicContact NH2-OD1 3.22Å; R134-D264 IonicContact NH2-OD2 2.85Å; R134-D264 PolarHBondContact NH2-OD2 2.71Å; R134-R267 WeakPolarHBondContact O-CD 3.36Å
135H92.5Very high94Very high23 Ų2326.6 Ų26.611%0.10614%0.135CC..  trans55.255.4178-61.1-63.4000113.7E137 E138 F257 R267 R640H135-E137 WeakPolarHBondContact CA-OE2 3.41Å; H135-E137 WeakPolarHBondContact CB-OE1 3.5Å; H135-E137 IonicContact CG-OE1 3.83Å; H135-E137 IonicContact ND1-OE1 3.51Å; H135-E137 PolarHBondContact ND1-OE1 3.41Å; H135-E137 PolarHBondContact O-N 3.38Å; H135-E137 VanDerWaalsContact O-N 3.11Å; H135-E138 HydrophobicContact CB-CG 4.24Å; H135-E138 PolarHBondContact O-N 2.8Å; H135-E138 VanDerWaalsContact O-N 3.14Å; H135-F257 AromaticContact CE1-CD1 3.61Å; H135-F257 AromaticContact NE2-CD1 3.82Å; H135-R267 PolarHBondContact CD2-NH1 2.88Å; H135-R640 PolarHBondContact CE1-NH1 3.3Å; H135-R640 PolarHBondContact ND1-NH1 3.21Å
136P94.7Very high93Very high18 Ų1835.2 Ų35.212%0.11717%0.174CC..G310 helixtrans-57.8-23.9-178.826.5-36.8000114.3A125 C128 E138 L139 L648A125-P136 HydrophobicContact CB-CB 4.06Å; A125-P136 HydrophobicContact CB-CG 3.93Å; C128-P136 HydrophobicContact CB-CB 3.75Å; P136-E138 PolarHBondContact O-N 2.83Å; P136-E138 VanDerWaalsContact O-N 3.14Å; P136-L139 PolarHBondContact O-N 2.93Å; P136-L648 HydrophobicContact CG-CD1 3.73Å
137E94.6Very high91.7Very high2 Ų241.9 Ų41.91%0.00920%0.196CC..G310 helixtrans-60.6-17.2176.867.7-80.7-170.900114.1F121 H135 L139 Y253 F636 L637 R640 L648F121-E137 HydrophobicContact CE2-CB 3.9Å; F121-E137 HydrophobicContact CZ-CB 4.24Å; H135-E137 WeakPolarHBondContact CA-OE2 3.41Å; H135-E137 WeakPolarHBondContact CB-OE1 3.5Å; H135-E137 IonicContact CG-OE1 3.83Å; H135-E137 IonicContact ND1-OE1 3.51Å; H135-E137 PolarHBondContact ND1-OE1 3.41Å; H135-E137 PolarHBondContact O-N 3.38Å; H135-E137 VanDerWaalsContact O-N 3.11Å; E137-L139 VanDerWaalsContact C-N 3.35Å; E137-Y253 WeakPolarHBondContact O-CD2 2.96Å; E137-F636 HydrophobicContact CB-CE1 4.23Å; E137-F636 HydrophobicContact CG-CE1 4.35Å; E137-L637 HydrophobicContact CG-CD2 3.77Å; E137-R640 IonicContact OE1-CZ 3.59Å; E137-R640 IonicContact OE1-NE 3.64Å; E137-R640 IonicContact OE1-NH1 3.65Å; E137-R640 PolarHBondContact OE1-NH1 3.28Å; E137-L648 HydrophobicContact CB-CD2 4.4Å; E137-L648 HydrophobicContact CG-CD2 4.01Å; E137-L648 WeakPolarHBondContact OE2-CD1 3.12Å; E137-L648 VanDerWaalsContact OE2-CD2 3.28Å; E137-L648 WeakPolarHBondContact OE2-CD2 3.17Å
138E96.3Very high89.7Confident0 Ų050.7 Ų50.70%023%0.234CC..G310 helixtrans-82.5-15.4174.8-60172.2176.100112.7H135 P136 F251 K252 Y253 F256 F257 R267 L637H135-E138 HydrophobicContact CB-CG 4.24Å; H135-E138 PolarHBondContact O-N 2.8Å; H135-E138 VanDerWaalsContact O-N 3.14Å; P136-E138 PolarHBondContact O-N 2.83Å; P136-E138 VanDerWaalsContact O-N 3.14Å; E138-F251 HydrophobicContact CB-CD1 4.33Å; E138-F251 CarbonylContact O-C 3.51Å; E138-K252 PolarHBondContact O-N 3.41Å; E138-Y253 PolarHBondContact O-N 3.11Å; E138-F256 WeakPolarHBondContact OE1-CA 3.4Å; E138-F257 PolarHBondContact OE1-N 3.38Å; E138-R267 IonicContact OE1-CZ 3.33Å; E138-R267 IonicContact OE1-NH2 2.67Å; E138-R267 PolarHBondContact OE1-NH2 3.34Å; E138-R267 IonicContact OE2-CZ 3.26Å; E138-R267 IonicContact OE2-NE 3.51Å; E138-R267 PolarHBondContact OE2-NE 3.26Å; E138-R267 IonicContact OE2-NH2 2.82Å; E138-R267 PolarHBondContact OE2-NH2 3.02Å; E138-L637 HydrophobicContact CG-CD2 4.28Å
139L98.1Very high87.1Confident7 Ų760.1 Ų60.14%0.03728%0.278CS..EExtended strand (participates in β ladder)trans-112.6159.6-173.9-60.695000111.4V124 I133 P136 E137 L249 R250 F251V124-L139 HydrophobicContact CG1-CB 4.37Å; I133-L139 HydrophobicContact CG2-CD1 3.82Å; I133-L139 HydrophobicContact CG2-CD2 4.26Å; P136-L139 PolarHBondContact O-N 2.93Å; E137-L139 VanDerWaalsContact C-N 3.35Å; L139-L249 HydrophobicContact CB-CD1 4.1Å; L139-L249 HydrophobicContact CD2-CD1 4.08Å; L139-L249 HydrophobicContact CD2-CD2 4.17Å; L139-L249 HydrophobicContact CD2-CG 4.01Å; L139-R250 WeakPolarHBondContact CA-O 3.28Å; L139-F251 HydrophobicContact CD1-CD1 4.11Å; L139-F251 HydrophobicContact CD1-CE1 3.9Å; L139-F251 HydrophobicContact CD1-CZ 4.49Å; L139-F251 HydrophobicContact CD2-CD1 4.32Å; L139-F251 HydrophobicContact CD2-CD2 4.32Å; L139-F251 HydrophobicContact CD2-CE1 4.17Å; L139-F251 HydrophobicContact CD2-CE2 4.16Å; L139-F251 HydrophobicContact CD2-CG 4.39Å; L139-F251 HydrophobicContact CD2-CZ 4.09Å; L139-F251 HydrophobicContact CG-CD1 3.89Å; L139-F251 HydrophobicContact CG-CE1 4.02Å; L139-F251 HydrophobicContact CG-CG 4.21Å; L139-F251 HydrophobicContact CG-CZ 4.44Å
140S98.4Very high85Confident0 Ų061.6 Ų61.60%029%0.288CS..EExtended strand (participates in β ladder)trans-156.4176.7169.7-168.20000110.6R250S140-R250 PolarHBondContact N-O 2.94Å; S140-R250 VanDerWaalsContact N-O 3.1Å; S140-R250 PolarHBondContact O-N 2.79Å
141L98.5Very high82.6Confident1 Ų171.4 Ų71.41%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-97.9136.6176.1-60-175.7000111.4L102 L120 V124 I127 L230 L236 L247 W248 L249L102-L141 HydrophobicContact CD1-CD2 3.58Å; L120-L141 HydrophobicContact CD1-CB 4.06Å; L120-L141 HydrophobicContact CD1-CD1 3.66Å; L120-L141 HydrophobicContact CD1-CG 3.94Å; V124-L141 HydrophobicContact CG2-CD1 4.39Å; V124-L141 HydrophobicContact CG2-CD2 4.47Å; V124-L141 HydrophobicContact CG2-CG 3.81Å; I127-L141 HydrophobicContact CD1-CD1 4.07Å; L141-L230 HydrophobicContact CB-CD1 3.96Å; L141-L230 WeakPolarHBondContact O-CB 3.46Å; L141-L230 PolarHBondContact O-N 2.87Å; L141-L230 VanDerWaalsContact O-N 3.1Å; L141-L236 HydrophobicContact CD1-CD2 4.27Å; L141-L247 HydrophobicContact CD1-CD1 3.69Å; L141-W248 WeakPolarHBondContact CA-O 3Å; L141-L249 HydrophobicContact CD2-CB 4.3Å; L141-L249 HydrophobicContact CD2-CD1 3.88Å
142L96.6Very high80.2Confident0 Ų079.7 Ų79.70%037%0.366CS..EExtended strand (participates in β ladder)trans-115.4135.7177-167.489.3000108.9L225 R228 W229 W248L142-L225 WeakPolarHBondContact CD1-O 3.28Å; L142-L225 HydrophobicContact CD2-CD1 3.71Å; L142-R228 HydrophobicContact CD1-CB 3.8Å; L142-R228 HydrophobicContact CD2-CB 4.36Å; L142-R228 HydrophobicContact CG-CB 3.79Å; L142-W229 HydrophobicContact CB-CE3 3.96Å; L142-W229 HydrophobicContact CB-CZ3 4.01Å; L142-W229 HydrophobicContact CD1-CB 4.28Å; L142-W229 HydrophobicContact CD1-CD2 3.33Å; L142-W229 HydrophobicContact CD1-CE3 3.56Å; L142-W229 HydrophobicContact CD1-CG 3.68Å; L142-W229 HydrophobicContact CD1-CH2 4.46Å; L142-W229 HydrophobicContact CD1-CZ2 4.25Å; L142-W229 HydrophobicContact CD1-CZ3 4.12Å; L142-W229 VanDerWaalsContact CD1-N 3.33Å; L142-W229 HydrophobicContact CG-CE3 4.43Å; L142-W248 HydrophobicContact CB-CB 4.14Å; L142-W248 HydrophobicContact CD2-CE3 4.24Å; L142-W248 PolarHBondContact N-O 2.86Å; L142-W248 PolarHBondContact O-N 2.82Å
143R95.8Very high77.9Confident94 Ų9488.3 Ų88.336%0.35540%0.399SS..EExtended strand (participates in β ladder)trans-64.1137.2174.3-170.7177.9-68.1-92.6-1.2109.8R228 L230 Q239 I241R143-R228 HydrophobicContact CB-CB 4.41Å; R143-R228 PolarHBondContact N-O 2.94Å; R143-R228 PolarHBondContact O-NH1 3.15Å; R143-L230 HydrophobicContact CB-CD2 4.48Å; R143-Q239 PolarHBondContact NH2-O 3.49Å; R143-I241 VanDerWaalsContact CZ-CD1 3.46Å
144A89.3Confident75.9Confident28 Ų2894.4 Ų94.423%0.23143%0.427CS..PPolyproline II helixtrans-57.9147.7173.700000111.8V246A144-V246 HydrophobicContact CB-CB 4.11Å; A144-V246 HydrophobicContact CB-CG1 4.15Å; A144-V246 VanDerWaalsContact CB-O 3.26Å; A144-V246 WeakPolarHBondContact CB-O 3.45Å
145P84.8Confident73.8Confident59 Ų5999.8 Ų99.838%0.38345%0.453SS..PPolyproline II helixtrans-68.5144.1177.429.7-31.6000110K147 R228 W248P145-K147 PolarHBondContact O-N 3.3Å; P145-R228 VanDerWaalsContact CD-NH1 3.28Å; P145-R228 VanDerWaalsContact N-NH1 3.18Å; P145-W248 HydrophobicContact CG-CH2 4.23Å; P145-W248 HydrophobicContact CG-CZ2 3.92Å
146E73.7Confident72Confident190 Ų190104.9 Ų104.989%0.88848%0.477SS*.PPolyproline II helixtrans-60.9124.5175.3-67-177.1172.100110.1K148E146-K148 PolarHBondContact O-N 3.22Å
147K65.1Low70.2Confident177 Ų177108.9 Ų108.977%0.7750%0.503SS*.  trans-69.8100.5173.9-68.7-170.2-180-167.70108P145 E149P145-K147 PolarHBondContact O-N 3.3Å; K147-E149 PolarHBondContact O-N 3.32Å; K147-E149 VanDerWaalsContact O-N 3.16Å
148K53.5Low68.5Low191 Ų191117.9 Ų117.983%0.8355%0.545SS*.  trans-57.2121.5166.3-69.7-174.4178.9179.10107.7E146 K150E146-K148 PolarHBondContact O-N 3.22Å; K148-K150 PolarHBondContact O-N 3.44Å
149E43Very low67.4Low198 Ų198121.9 Ų121.993%0.92556%0.564SS**  trans-54.6101.4179.3-69.4-167156.400110K147 K151K147-E149 PolarHBondContact O-N 3.32Å; K147-E149 VanDerWaalsContact O-N 3.16Å; E149-K151 PolarHBondContact O-N 3.37Å
150K45.9Very low66.7Low164 Ų164126.8 Ų126.871%0.71359%0.587SS**  trans-72.3123.8173.7-76.4-177.5178.7174.20108K148 K152K148-K150 PolarHBondContact O-N 3.44Å; K150-K152 PolarHBondContact O-N 3.18Å
151K40.9Very low66.3Low221 Ų221130.2 Ų130.296%0.96161%0.605SS**SBendtrans-62.915.4176.7-105.1-177.6178.91790116E149E149-K151 PolarHBondContact O-N 3.37Å
152K45.1Very low66Low175 Ų175131.8 Ų131.876%0.76161%0.61SS**SBendtrans-150.9117168.7-106.5178.3175.4179.70107.5K150 E154K150-K152 PolarHBondContact O-N 3.18Å; K152-E154 PolarHBondContact O-N 3.1Å
153K42.2Very low65.8Low216 Ų216135 Ų13594%0.93963%0.627SS**  trans-6578.3164.8-101.5-179.6172.8176.90107.8K155K153-K155 PolarHBondContact O-N 3.34Å
154E53.5Low65.7Low135 Ų135130.6 Ų130.663%0.63161%0.611SS**  trans-63.4127.9153.2-79.4-174.5159.600106.1K152 E156K152-E154 PolarHBondContact O-N 3.1Å; E154-E156 VanDerWaalsContact C-N 3.3Å; E154-E156 PolarHBondContact O-N 3.24Å
155K46.6Very low65.7Low196 Ų196130.5 Ų130.585%0.85261%0.609SS**  trans-66.293.7178.1-162.9178.4-177.1-174.20106.5K153K153-K155 PolarHBondContact O-N 3.34Å
156E56.3Low65.8Low131 Ų131136.7 Ų136.761%0.61263%0.63SS**  trans-54.5134.6170.5-74.4-175.7161.700107.2E154 E158E154-E156 VanDerWaalsContact C-N 3.3Å; E154-E156 PolarHBondContact O-N 3.24Å; E156-E158 PolarHBondContact O-N 3.23Å
157P56.3Low66.4Low102 Ų102129.1 Ų129.166%0.66260%0.597SS**  trans-55.6138.8178.222.1-30.9000109.2E159P157-E159 PolarHBondContact O-N 2.67Å
158E58.6Low66.8Low190 Ų190127 Ų12789%0.88860%0.598SS**  trans-58.8111.1175.7-80178.8173.400108.6E156 E160E156-E158 PolarHBondContact O-N 3.23Å; E158-E160 PolarHBondContact O-N 2.82Å
159E72.4Confident67.8Low85 Ų85120.5 Ų120.540%0.39757%0.572SS.*  trans-75.9117177.7-166.7170.9-175.400107.7R103 P157 L161R103-E159 IonicContact CZ-OE1 3.23Å; R103-E159 VanDerWaalsContact CZ-OE1 3.32Å; R103-E159 IonicContact CZ-OE2 2.8Å; R103-E159 IonicContact NH1-OE1 2.71Å; R103-E159 IonicContact NH1-OE2 2.9Å; R103-E159 PolarHBondContact NH1-OE2 2.79Å; R103-E159 IonicContact NH2-OE1 3.13Å; R103-E159 PolarHBondContact NH2-OE1 3.3Å; R103-E159 IonicContact NH2-OE2 3.01Å; R103-E159 PolarHBondContact NH2-OE2 2.85Å; P157-E159 PolarHBondContact O-N 2.67Å; E159-L161 PolarHBondContact O-N 2.84Å
160E83.9Confident68.6Low110 Ų110115 Ų11551%0.51456%0.561SS.*  trans-59122.3176.9-176.3-176.7179.700110R108 E158 Y162R108-E160 IonicContact CZ-OE2 3.82Å; R108-E160 IonicContact NH2-OE2 3.79Å; R108-E160 PolarHBondContact NH2-OE2 3.21Å; E158-E160 PolarHBondContact O-N 2.82Å; E160-Y162 HydrophobicContact CG-CE2 4.36Å; E160-Y162 PolarHBondContact OE1-OH 2.89Å; E160-Y162 PolarHBondContact OE2-OH 3.44Å
161L91.1Very high69.2Low72 Ų72110.7 Ų110.738%0.37756%0.563SS.*EExtended strand (participates in β ladder)trans-107.9113-176.8-179.367000109.5I101 A109 R111 E159I101-L161 HydrophobicContact CG2-CD1 4.03Å; A109-L161 HydrophobicContact CB-CD1 3.93Å; R111-L161 HydrophobicContact CB-CD1 4.43Å; R111-L161 HydrophobicContact CB-CD2 4.42Å; R111-L161 HydrophobicContact CB-CG 4.47Å; E159-L161 PolarHBondContact O-N 2.84Å
162Y92.3Very high69.9Low33 Ų33104.2 Ų104.213%0.12956%0.559CS.*EExtended strand (participates in β ladder)trans-76.4147173.1-60-94.7000109.8R108 A109 L110 R111 E160 A193 C194 M197R108-Y162 PolarHBondContact NH2-OH 3.26Å; A109-Y162 PolarHBondContact O-N 2.91Å; L110-Y162 CarbonylContact C-O 3.53Å; L110-Y162 WeakPolarHBondContact CA-O 3.42Å; R111-Y162 PolarHBondContact N-O 3.22Å; E160-Y162 HydrophobicContact CG-CE2 4.36Å; E160-Y162 PolarHBondContact OE1-OH 2.89Å; E160-Y162 PolarHBondContact OE2-OH 3.44Å; Y162-A193 HydrophobicContact CE1-CB 4.46Å; Y162-C194 HydrophobicContact CD1-CB 4.05Å; Y162-C194 HydrophobicContact CG-CB 4.45Å; Y162-M197 HydrophobicContact CD2-CE 3.71Å; Y162-M197 HydrophobicContact CD2-CG 4.33Å; Y162-M197 HydrophobicContact CE1-CB 4.21Å; Y162-M197 HydrophobicContact CE2-CB 4.19Å; Y162-M197 HydrophobicContact CE2-CE 4.02Å; Y162-M197 HydrophobicContact CE2-CG 3.66Å; Y162-M197 HydrophobicContact CE2-SD 4.45Å; Y162-M197 HydrophobicContact CG-CE 4.09Å
163D92.4Very high70.3Confident67 Ų67101.3 Ų101.336%0.35856%0.556SS.*EExtended strand (participates in β ladder)trans-123.6114.2-178.2-163.3-12.6000111.3S165D163-S165 WeakPolarHBondContact OD1-CB 3.43Å; D163-S165 PolarHBondContact OD1-N 3.34Å; D163-S165 PolarHBondContact OD1-OG 3.05Å; D163-S165 PolarHBondContact OD2-OG 2.97Å
164L92.5Very high71Confident3 Ų395 Ų952%0.01654%0.544CS..  trans-111.211.4174.2-60.3-179.3000111.7L110 R111 L112 L131 K166 V167 F185 T191 C194L110-L164 HydrophobicContact CD1-CD1 4.44Å; L110-L164 HydrophobicContact CD2-CD1 4.15Å; R111-L164 PolarHBondContact O-N 3.37Å; L112-L164 HydrophobicContact CB-CB 4.3Å; L131-L164 HydrophobicContact CD2-CD1 3.95Å; L164-K166 PolarHBondContact O-N 3.26Å; L164-K166 VanDerWaalsContact O-N 3.09Å; L164-V167 HydrophobicContact CB-CG2 4.29Å; L164-V167 HydrophobicContact CD2-CG2 4.09Å; L164-V167 PolarHBondContact O-N 3.4Å; L164-F185 HydrophobicContact CD1-CE1 4.22Å; L164-F185 HydrophobicContact CD2-CE1 4.19Å; L164-T191 HydrophobicContact CD2-CG2 4.08Å; L164-C194 HydrophobicContact CD2-CB 4.07Å
165S89.9Confident71.4Confident26 Ų2690.7 Ų90.718%0.18253%0.527CS..THydrogen-bonded Turntrans-64.2-15.5-176.563.90000114.8R111 R113 D163R111-S165 PolarHBondContact O-N 2.92Å; R113-S165 WeakPolarHBondContact CD-O 3.39Å; R113-S165 PolarHBondContact NE-O 3.16Å; D163-S165 WeakPolarHBondContact OD1-CB 3.43Å; D163-S165 PolarHBondContact OD1-N 3.34Å; D163-S165 PolarHBondContact OD1-OG 3.05Å; D163-S165 PolarHBondContact OD2-OG 2.97Å
166K86.9Confident72.5Confident188 Ų18884.8 Ų84.882%0.81752%0.515SS*.THydrogen-bonded Turntrans-93.6-11175.8-62.5-176.4-178.4176.70113.6L164L164-K166 PolarHBondContact O-N 3.26Å; L164-K166 VanDerWaalsContact O-N 3.09Å
167V85.1Confident73.2Confident32 Ų3283.9 Ų83.919%0.19452%0.518CS..  trans-79.7124.7-179.2-177.10000108.8L130 L164 H184 T191L130-V167 HydrophobicContact CD1-CB 4.1Å; L130-V167 HydrophobicContact CD1-CG1 3.57Å; L164-V167 HydrophobicContact CB-CG2 4.29Å; L164-V167 HydrophobicContact CD2-CG2 4.09Å; L164-V167 PolarHBondContact O-N 3.4Å; V167-H184 HydrophobicContact CG1-CB 4.1Å; V167-T191 HydrophobicContact CG2-CG2 3.93Å
168V74.6Confident73.8Confident132 Ų13284 Ų8480%0.851%0.509SS*.  trans-123.4120.3177-177.10000107.9
169L73.9Confident74.4Confident54 Ų5484.9 Ų84.928%0.28350%0.503SS..PPolyproline II helixtrans-91.7130.7174.9-65.4-178.8000109.8R129 L130 G171 H184R129-L169 HydrophobicContact CG-CD1 4.3Å; L130-L169 HydrophobicContact CB-CD1 4.21Å; L130-L169 HydrophobicContact CD1-CD1 4.07Å; L130-L169 HydrophobicContact CD1-CG 4.14Å; L169-G171 PolarHBondContact O-N 3.38Å; L169-H184 HydrophobicContact CD2-CB 3.98Å
170A60.8Low74.3Confident84 Ų8483.6 Ų83.669%0.69451%0.513SS*.PPolyproline II helixtrans-65.3130.5168.400000109.4
171G57.4Low74.1Confident73 Ų7379 Ų7975%0.75349%0.492SS*.THydrogen-bonded Turntrans-64141.3-179.600000112.4L169L169-G171 PolarHBondContact O-N 3.38Å
172G55.2Low73.7Confident85 Ų8576 Ų7688%0.87648%0.476SS*.THydrogen-bonded Turntrans89.9-1.3166.400000117.3
173V53.7Low73.2Confident114 Ų11475.9 Ų75.969%0.69148%0.483SS*.SBendtrans-123.9127.8176.3-168.90000109.8
174A57.6Low72.7Confident84 Ų8473.3 Ų73.369%0.69447%0.468SS*.PPolyproline II helixtrans-59.1132.5171.500000109A176A174-A176 PolarHBondContact O-N 2.72Å
175P62.3Low72.4Confident44 Ų4473.1 Ų73.129%0.28647%0.468SS..PPolyproline II helixtrans-54.6126.7179.4-23.531.9000110V177 P182P175-V177 PolarHBondContact O-N 2.84Å; P175-P182 HydrophobicContact CB-CB 3.95Å
176A68.2Low72Confident71 Ų7173.8 Ų73.859%0.58747%0.472SS*.PPolyproline II helixtrans-58.2140.4173.500000109.3A174 A183A174-A176 PolarHBondContact O-N 2.72Å; A176-A183 WeakPolarHBondContact O-CB 3.39Å; A176-A183 PolarHBondContact O-N 2.97Å
177V72.6Confident71.7Confident112 Ų11270.8 Ų70.868%0.67947%0.465SS*.EExtended strand (participates in β ladder)trans-85.3125.6176.6-1800000108.5P175 M181P175-V177 PolarHBondContact O-N 2.84Å; V177-M181 CarbonylContact C-O 3.55Å; V177-M181 WeakPolarHBondContact CA-O 3.48Å
178F69.3Low71.7Confident106 Ų10671.4 Ų71.447%0.46547%0.471SS..EExtended strand (participates in β ladder)trans-128.1124.4176-173.1-105.9000108.8G180 M181F178-G180 VanDerWaalsContact C-N 3.25Å; F178-G180 PolarHBondContact O-N 3.5Å; F178-M181 PolarHBondContact N-O 3.38Å; F178-M181 WeakPolarHBondContact O-CG 3.41Å; F178-M181 PolarHBondContact O-N 3.01Å; F178-M181 VanDerWaalsContact O-N 3.07Å
179R70.4Confident72.2Confident207 Ų20769 Ų6978%0.78147%0.465SS*.THydrogen-bonded Turntrans52.138.3-176.6-58.3179.6180-175.8-0.6114.2M181R179-M181 PolarHBondContact O-N 2.93Å
180G69.1Low72.8Confident58 Ų5873.4 Ų73.460%0.59848%0.484SS*.THydrogen-bonded Turntrans7211.9179.700000115.2F178 Y195F178-G180 VanDerWaalsContact C-N 3.25Å; F178-G180 PolarHBondContact O-N 3.5Å; G180-Y195 PolarHBondContact O-OH 3.19Å
181M80.3Confident74Confident13 Ų1369.9 Ų69.96%0.06445%0.454CS..EExtended strand (participates in β ladder)trans-129156.7172.964.7-178.476.200111V177 F178 R179 F185 E192 Y195V177-M181 CarbonylContact C-O 3.55Å; V177-M181 WeakPolarHBondContact CA-O 3.48Å; F178-M181 PolarHBondContact N-O 3.38Å; F178-M181 WeakPolarHBondContact O-CG 3.41Å; F178-M181 PolarHBondContact O-N 3.01Å; F178-M181 VanDerWaalsContact O-N 3.07Å; R179-M181 PolarHBondContact O-N 2.93Å; M181-F185 HydrophobicContact SD-CB 4.25Å; M181-E192 HydrophobicContact CE-CG 4.11Å; M181-E192 HydrophobicContact SD-CG 4.37Å; M181-Y195 HydrophobicContact CB-CD1 3.69Å; M181-Y195 HydrophobicContact CB-CE1 3.47Å; M181-Y195 VanDerWaalsContact CB-CE1 3.47Å; M181-Y195 HydrophobicContact CB-CE2 4.33Å; M181-Y195 HydrophobicContact CB-CG 4.21Å
182P82.7Confident75.5Confident9 Ų970 Ų706%0.05844%0.435CS..EExtended strand (participates in β ladder)trans-56.6138.9169-23.832.1000111.8P175 H184 F185 Y195P175-P182 HydrophobicContact CB-CB 3.95Å; P182-H184 VanDerWaalsContact C-N 3.26Å; P182-H184 WeakPolarHBondContact CB-CE1 3.37Å; P182-H184 PolarHBondContact O-N 3.14Å; P182-H184 VanDerWaalsContact O-N 3.15Å; P182-F185 HydrophobicContact CB-CD2 3.83Å; P182-F185 HydrophobicContact CB-CE2 4.42Å; P182-F185 HydrophobicContact CG-CD2 3.78Å; P182-F185 HydrophobicContact CG-CE2 4.14Å; P182-F185 WeakPolarHBondContact O-CB 3.45Å; P182-F185 PolarHBondContact O-N 3.49Å; P182-Y195 VanDerWaalsContact CD-CE2 3.5Å; P182-Y195 HydrophobicContact CG-CE2 4.32Å
183A81.6Confident77.2Confident32 Ų3268 Ų6826%0.26441%0.41SS..Hα-helixtrans-52.2-41.5-173.900000113.5A176 F185 S186A176-A183 WeakPolarHBondContact O-CB 3.39Å; A176-A183 PolarHBondContact O-N 2.97Å; A183-F185 PolarHBondContact O-N 3.43Å; A183-F185 VanDerWaalsContact O-N 3.13Å; A183-S186 WeakPolarHBondContact O-CB 3.47Å; A183-S186 PolarHBondContact O-N 2.95Å; A183-S186 PolarHBondContact O-OG 3.29Å
184H82.6Confident79Confident12 Ų1262.7 Ų62.76%0.05638%0.378CS..Hα-helixtrans-65-17.2179.865.8-87.1000114.2L130 V167 L169 P182 D187L130-H184 PolarHBondContact O-NE2 2.81Å; V167-H184 HydrophobicContact CG1-CB 4.1Å; L169-H184 HydrophobicContact CD2-CB 3.98Å; P182-H184 VanDerWaalsContact C-N 3.26Å; P182-H184 WeakPolarHBondContact CB-CE1 3.37Å; P182-H184 PolarHBondContact O-N 3.14Å; P182-H184 VanDerWaalsContact O-N 3.15Å; H184-D187 WeakPolarHBondContact CA-OD2 3.21Å
185F85.6Confident80.7Confident0 Ų059.4 Ų59.40%035%0.348CS..Hα-helixtrans-82.7-23.2171.7-73.3-61.3000112.8L130 L164 M181 P182 A183 D187 T191 E192 Y195 L198L130-F185 WeakPolarHBondContact O-CE2 3.4Å; L130-F185 VanDerWaalsContact O-CZ 3.28Å; L130-F185 WeakPolarHBondContact O-CZ 3.41Å; L164-F185 HydrophobicContact CD1-CE1 4.22Å; L164-F185 HydrophobicContact CD2-CE1 4.19Å; M181-F185 HydrophobicContact SD-CB 4.25Å; P182-F185 HydrophobicContact CB-CD2 3.83Å; P182-F185 HydrophobicContact CB-CE2 4.42Å; P182-F185 HydrophobicContact CG-CD2 3.78Å; P182-F185 HydrophobicContact CG-CE2 4.14Å; P182-F185 WeakPolarHBondContact O-CB 3.45Å; P182-F185 PolarHBondContact O-N 3.49Å; A183-F185 PolarHBondContact O-N 3.43Å; A183-F185 VanDerWaalsContact O-N 3.13Å; F185-D187 VanDerWaalsContact C-N 3.33Å; F185-T191 VanDerWaalsContact CD1-O 3.25Å; F185-T191 WeakPolarHBondContact CD1-O 3.38Å; F185-T191 CarbonylContact O-C 3.55Å; F185-T191 WeakPolarHBondContact O-CB 3.43Å; F185-T191 PolarHBondContact O-OG1 3.06Å; F185-E192 WeakPolarHBondContact O-CA 3.29Å; F185-E192 PolarHBondContact O-N 2.94Å; F185-Y195 HydrophobicContact CB-CD2 4.46Å; F185-Y195 HydrophobicContact CB-CG 4.26Å; F185-Y195 AromaticContact CD2-CD2 3.51Å; F185-Y195 HydrophobicContact CD2-CD2 3.51Å; F185-Y195 HydrophobicContact CD2-CE2 4.29Å; F185-Y195 HydrophobicContact CD2-CG 4.11Å; F185-Y195 AromaticContact CE2-CD2 3.79Å; F185-Y195 HydrophobicContact CE2-CD2 3.79Å; F185-Y195 AromaticContact CG-CD2 4Å; F185-Y195 HydrophobicContact CG-CD2 4Å; F185-Y195 HydrophobicContact CG-CG 4.14Å; F185-Y195 HydrophobicContact CZ-CD2 4.48Å; F185-L198 HydrophobicContact CE1-CD1 4.28Å; F185-L198 HydrophobicContact CZ-CD1 3.92Å
186S82.8Confident82.1Confident40 Ų4059.7 Ų59.728%0.2835%0.345SS..Hα-helixtrans-82.9-6.317970.70000114.5A183 S188A183-S186 WeakPolarHBondContact O-CB 3.47Å; A183-S186 PolarHBondContact O-N 2.95Å; A183-S186 PolarHBondContact O-OG 3.29Å; S186-S188 VanDerWaalsContact C-N 3.29Å; S186-S188 PolarHBondContact O-N 3.45Å
187D79.7Confident83.4Confident125 Ų12556.7 Ų56.767%0.66832%0.319SS*.THydrogen-bonded Turntrans-67.3-26.7-175.9-67.1-20.5000113.4H184 F185H184-D187 WeakPolarHBondContact CA-OD2 3.21Å; F185-D187 VanDerWaalsContact C-N 3.33Å
188S84.5Confident84.4Confident45 Ų4551.3 Ų51.332%0.31529%0.287SS..  trans-153.9157.3-178.676.50000113.1S186 Q190 T191 E192S186-S188 VanDerWaalsContact C-N 3.29Å; S186-S188 PolarHBondContact O-N 3.45Å; S188-Q190 PolarHBondContact O-N 3.34Å; S188-Q190 PolarHBondContact OG-N 2.85Å; S188-T191 PolarHBondContact N-OG1 2.89Å; S188-T191 VanDerWaalsContact N-OG1 3.15Å; S188-T191 PolarHBondContact O-N 3.34Å; S188-T191 PolarHBondContact O-OG1 3.11Å; S188-T191 WeakPolarHBondContact OG-CG2 3.43Å; S188-T191 PolarHBondContact OG-N 3.17Å; S188-T191 VanDerWaalsContact OG-N 3.15Å; S188-T191 PolarHBondContact OG-OG1 3.43Å; S188-E192 WeakPolarHBondContact O-CB 3.41Å; S188-E192 PolarHBondContact O-N 2.96Å
189A85.6Confident85.6Confident81 Ų8147.2 Ų47.267%0.66927%0.271SS*.Hα-helixtrans-59.6-29.3174.100000113.2A193A189-A193 VanDerWaalsContact O-CB 3.26Å; A189-A193 WeakPolarHBondContact O-CB 3.31Å; A189-A193 PolarHBondContact O-N 3.3Å
190Q86.8Confident86.7Confident146 Ų14642 Ų4268%0.68225%0.251SS*.Hα-helixtrans-71.1-44.1178.3-68.5179.9-4.800111.7S188 C194S188-Q190 PolarHBondContact O-N 3.34Å; S188-Q190 PolarHBondContact OG-N 2.85Å; Q190-C194 PolarHBondContact O-N 2.95Å
191T86.5Confident87.9Confident10 Ų1039.6 Ų39.66%0.06123%0.225CC..Hα-helixtrans-70.4-36.8177.751.70000111.1L164 V167 F185 S188 C194 Y195L164-T191 HydrophobicContact CD2-CG2 4.08Å; V167-T191 HydrophobicContact CG2-CG2 3.93Å; F185-T191 VanDerWaalsContact CD1-O 3.25Å; F185-T191 WeakPolarHBondContact CD1-O 3.38Å; F185-T191 CarbonylContact O-C 3.55Å; F185-T191 WeakPolarHBondContact O-CB 3.43Å; F185-T191 PolarHBondContact O-OG1 3.06Å; S188-T191 PolarHBondContact N-OG1 2.89Å; S188-T191 VanDerWaalsContact N-OG1 3.15Å; S188-T191 PolarHBondContact O-N 3.34Å; S188-T191 PolarHBondContact O-OG1 3.11Å; S188-T191 WeakPolarHBondContact OG-CG2 3.43Å; S188-T191 PolarHBondContact OG-N 3.17Å; S188-T191 VanDerWaalsContact OG-N 3.15Å; S188-T191 PolarHBondContact OG-OG1 3.43Å; T191-C194 WeakPolarHBondContact O-CB 3.47Å; T191-C194 PolarHBondContact O-N 3.48Å; T191-Y195 PolarHBondContact O-N 3.29Å
192E88.4Confident88.4Confident76 Ų7640.8 Ų40.836%0.35523%0.23SC..Hα-helixtrans-63.7-45.6174.1-176.9175.2-175.400111.3M181 F185 S188 C194 Y195 H196M181-E192 HydrophobicContact CE-CG 4.11Å; M181-E192 HydrophobicContact SD-CG 4.37Å; F185-E192 WeakPolarHBondContact O-CA 3.29Å; F185-E192 PolarHBondContact O-N 2.94Å; S188-E192 WeakPolarHBondContact O-CB 3.41Å; S188-E192 PolarHBondContact O-N 2.96Å; E192-C194 VanDerWaalsContact C-N 3.27Å; E192-C194 PolarHBondContact O-N 3.41Å; E192-Y195 PolarHBondContact O-N 3.26Å; E192-Y195 VanDerWaalsContact O-N 3.13Å; E192-H196 PolarHBondContact O-CD2 2.94Å; E192-H196 PolarHBondContact O-N 3.08Å; E192-H196 IonicContact OE1-NE2 2.7Å
193A90.6Very high88.8Confident44 Ų4444 Ų4436%0.36425%0.251SS..Hα-helixtrans-59.5-38.5173.500000112.2Y162 A189 H196 M197Y162-A193 HydrophobicContact CE1-CB 4.46Å; A189-A193 VanDerWaalsContact O-CB 3.26Å; A189-A193 WeakPolarHBondContact O-CB 3.31Å; A189-A193 PolarHBondContact O-N 3.3Å; A193-H196 PolarHBondContact O-N 2.77Å; A193-M197 PolarHBondContact O-N 2.8Å
194C92.4Very high89.2Confident1 Ų144.5 Ų44.51%0.00725%0.252CS..Hα-helixtrans-63.8-44.1174.1-169.40000111.5Y162 L164 Q190 T191 E192 H196 M197 L198Y162-C194 HydrophobicContact CD1-CB 4.05Å; Y162-C194 HydrophobicContact CG-CB 4.45Å; L164-C194 HydrophobicContact CD2-CB 4.07Å; Q190-C194 PolarHBondContact O-N 2.95Å; T191-C194 WeakPolarHBondContact O-CB 3.47Å; T191-C194 PolarHBondContact O-N 3.48Å; E192-C194 VanDerWaalsContact C-N 3.27Å; E192-C194 PolarHBondContact O-N 3.41Å; C194-H196 VanDerWaalsContact C-N 3.35Å; C194-H196 PolarHBondContact O-N 2.98Å; C194-M197 WeakPolarHBondContact O-CB 3.16Å; C194-M197 PolarHBondContact O-N 3.11Å; C194-L198 VanDerWaalsContact O-CG 3.24Å; C194-L198 WeakPolarHBondContact O-CG 3.49Å; C194-L198 PolarHBondContact O-N 3.42Å
195Y92.4Very high89.6Confident15 Ų1544.9 Ų44.96%0.05926%0.255CS..Hα-helixtrans-61.8-41.9176.5-177.4-105.5000112.2G180 M181 P182 F185 T191 E192 M197 L198 S199 V266G180-Y195 PolarHBondContact O-OH 3.19Å; M181-Y195 HydrophobicContact CB-CD1 3.69Å; M181-Y195 HydrophobicContact CB-CE1 3.47Å; M181-Y195 VanDerWaalsContact CB-CE1 3.47Å; M181-Y195 HydrophobicContact CB-CE2 4.33Å; M181-Y195 HydrophobicContact CB-CG 4.21Å; P182-Y195 VanDerWaalsContact CD-CE2 3.5Å; P182-Y195 HydrophobicContact CG-CE2 4.32Å; F185-Y195 HydrophobicContact CB-CD2 4.46Å; F185-Y195 HydrophobicContact CB-CG 4.26Å; F185-Y195 AromaticContact CD2-CD2 3.51Å; F185-Y195 HydrophobicContact CD2-CD2 3.51Å; F185-Y195 HydrophobicContact CD2-CE2 4.29Å; F185-Y195 HydrophobicContact CD2-CG 4.11Å; F185-Y195 AromaticContact CE2-CD2 3.79Å; F185-Y195 HydrophobicContact CE2-CD2 3.79Å; F185-Y195 AromaticContact CG-CD2 4Å; F185-Y195 HydrophobicContact CG-CD2 4Å; F185-Y195 HydrophobicContact CG-CG 4.14Å; F185-Y195 HydrophobicContact CZ-CD2 4.48Å; T191-Y195 PolarHBondContact O-N 3.29Å; E192-Y195 PolarHBondContact O-N 3.26Å; E192-Y195 VanDerWaalsContact O-N 3.13Å; Y195-M197 VanDerWaalsContact C-N 3.35Å; Y195-M197 PolarHBondContact O-N 3.23Å; Y195-L198 WeakPolarHBondContact O-CB 3.37Å; Y195-L198 PolarHBondContact O-N 2.92Å; Y195-L198 VanDerWaalsContact O-N 3.17Å; Y195-S199 WeakPolarHBondContact O-CB 3.38Å; Y195-S199 PolarHBondContact O-N 2.85Å; Y195-S199 PolarHBondContact O-OG 3.34Å; Y195-V266 HydrophobicContact CD2-CG2 4.22Å; Y195-V266 HydrophobicContact CE2-CG2 3.7Å
196H92.5Very high89.7Confident51 Ų5148.6 Ų48.624%0.23628%0.275CS..Hα-helixtrans-62.3-40.7174.2-74.2-46.9000112.6E192 A193 C194 L198 S199 R200E192-H196 PolarHBondContact O-CD2 2.94Å; E192-H196 PolarHBondContact O-N 3.08Å; E192-H196 IonicContact OE1-NE2 2.7Å; A193-H196 PolarHBondContact O-N 2.77Å; C194-H196 VanDerWaalsContact C-N 3.35Å; C194-H196 PolarHBondContact O-N 2.98Å; H196-L198 VanDerWaalsContact C-N 3.26Å; H196-L198 PolarHBondContact O-N 3.03Å; H196-S199 PolarHBondContact O-N 2.86Å; H196-R200 PolarHBondContact CE1-NH2 2.93Å; H196-R200 PolarHBondContact ND1-NE 3.38Å; H196-R200 VanDerWaalsContact O-CB 3.26Å; H196-R200 WeakPolarHBondContact O-CB 3.49Å; H196-R200 PolarHBondContact O-N 2.8Å
197M94.3Very high89.9Confident7 Ų747.4 Ų47.43%0.03427%0.267CS..Hα-helixtrans-62.3-34.6174177.5-80.5-6200112.4L104 N106 R108 L110 Y162 A193 C194 Y195 Q202L104-M197 HydrophobicContact CD1-CE 3.8Å; L104-M197 HydrophobicContact CD1-SD 3.89Å; N106-M197 PolarHBondContact ND2-O 2.85Å; N106-M197 VanDerWaalsContact ND2-O 3.13Å; N106-M197 PolarHBondContact ND2-SD 2.94Å; R108-M197 HydrophobicContact CB-CG 4.3Å; R108-M197 HydrophobicContact CB-SD 3.69Å; R108-M197 HydrophobicContact CG-CG 4.07Å; R108-M197 HydrophobicContact CG-SD 3.95Å; L110-M197 HydrophobicContact CD2-CE 4.23Å; Y162-M197 HydrophobicContact CD2-CE 3.71Å; Y162-M197 HydrophobicContact CD2-CG 4.33Å; Y162-M197 HydrophobicContact CE1-CB 4.21Å; Y162-M197 HydrophobicContact CE2-CB 4.19Å; Y162-M197 HydrophobicContact CE2-CE 4.02Å; Y162-M197 HydrophobicContact CE2-CG 3.66Å; Y162-M197 HydrophobicContact CE2-SD 4.45Å; Y162-M197 HydrophobicContact CG-CE 4.09Å; A193-M197 PolarHBondContact O-N 2.8Å; C194-M197 WeakPolarHBondContact O-CB 3.16Å; C194-M197 PolarHBondContact O-N 3.11Å; Y195-M197 VanDerWaalsContact C-N 3.35Å; Y195-M197 PolarHBondContact O-N 3.23Å; M197-Q202 PolarHBondContact O-NE2 3.06Å
198L95.2Very high90.2Very high0 Ų046.5 Ų46.50%026%0.261CS..Hα-helixtrans-75.9-40.5178.9-71.3169.6000113.3L104 L110 L131 F185 C194 Y195 H196 V266 Q270L104-L198 HydrophobicContact CD1-CD2 3.43Å; L104-L198 VanDerWaalsContact CD1-CD2 3.43Å; L104-L198 HydrophobicContact CD2-CD2 4.4Å; L110-L198 HydrophobicContact CD2-CD2 4.26Å; L131-L198 HydrophobicContact CD2-CD1 3.89Å; L131-L198 HydrophobicContact CD2-CD2 4.34Å; F185-L198 HydrophobicContact CE1-CD1 4.28Å; F185-L198 HydrophobicContact CZ-CD1 3.92Å; C194-L198 VanDerWaalsContact O-CG 3.24Å; C194-L198 WeakPolarHBondContact O-CG 3.49Å; C194-L198 PolarHBondContact O-N 3.42Å; Y195-L198 WeakPolarHBondContact O-CB 3.37Å; Y195-L198 PolarHBondContact O-N 2.92Å; Y195-L198 VanDerWaalsContact O-N 3.17Å; H196-L198 VanDerWaalsContact C-N 3.26Å; H196-L198 PolarHBondContact O-N 3.03Å; L198-V266 HydrophobicContact CB-CG1 3.86Å; L198-V266 HydrophobicContact CB-CG2 4.14Å; L198-Q270 PolarHBondContact O-NE2 2.9Å
199S93.8Very high90.2Very high19 Ų1948.3 Ų48.313%0.13327%0.267CS..Hα-helixtrans-96.5-12.9-170.158.50000114.5Y195 H196 T269Y195-S199 WeakPolarHBondContact O-CB 3.38Å; Y195-S199 PolarHBondContact O-N 2.85Å; Y195-S199 PolarHBondContact O-OG 3.34Å; H196-S199 PolarHBondContact O-N 2.86Å; S199-T269 PolarHBondContact O-OG1 3.36Å
200R93.6Very high90.4Very high98 Ų9844.5 Ų44.537%0.3724%0.235SC..SBendtrans-111.8136.1178.9-60-176.6178.1176.61.5111.8H196 Q202H196-R200 PolarHBondContact CE1-NH2 2.93Å; H196-R200 PolarHBondContact ND1-NE 3.38Å; H196-R200 VanDerWaalsContact O-CB 3.26Å; H196-R200 WeakPolarHBondContact O-CB 3.49Å; H196-R200 PolarHBondContact O-N 2.8Å; R200-Q202 PolarHBondContact O-NE2 3.26Å
201P94.3Very high90.4Very high7 Ų741.9 Ų41.95%0.04522%0.223CC..PPolyproline II helixtrans-51.4143171.3-29.937.3000112.9T269 Y272 I301 L532 Q536P201-T269 HydrophobicContact CG-CG2 4.47Å; P201-Y272 HydrophobicContact CB-CE1 4Å; P201-Y272 HydrophobicContact CG-CE1 4.28Å; P201-I301 HydrophobicContact CB-CG2 3.74Å; P201-I301 HydrophobicContact CG-CG2 3.44Å; P201-I301 VanDerWaalsContact CG-CG2 3.44Å; P201-L532 HydrophobicContact CG-CD1 4.32Å; P201-Q536 VanDerWaalsContact CG-NE2 3.33Å
202Q91.5Very high90.4Very high38 Ų3849.5 Ų49.518%0.17825%0.251CS..PPolyproline II helixtrans-84.3146.9174.7-59.9-59-61.300110.2N106 M197 R200 E273 R276N106-Q202 HydrophobicContact CB-CG 4.06Å; M197-Q202 PolarHBondContact O-NE2 3.06Å; R200-Q202 PolarHBondContact O-NE2 3.26Å; Q202-E273 PolarHBondContact N-OE1 3.23Å; Q202-R276 PolarHBondContact O-NH1 2.87Å; Q202-R276 PolarHBondContact O-NH2 2.94Å
203P90.8Very high90.4Very high77 Ų7748.2 Ų48.250%0.525%0.246SC..PPolyproline II helixtrans-56.9155.4176.824.7-34.2000111.3
204P89.7Confident90.1Very high42 Ų4251.2 Ų51.227%0.27326%0.262SS..PPolyproline II helixtrans-53.6139.9175.8-25.733.8000111.2N302 L502P204-N302 WeakPolarHBondContact CD-OD1 3.31Å; P204-N302 HydrophobicContact CG-CB 4.43Å; P204-L502 HydrophobicContact CB-CD2 3.9Å; P204-L502 HydrophobicContact CG-CD2 3.58Å
205P90.1Very high89.9Confident20 Ų2054 Ų5413%0.1327%0.272CS..PPolyproline II helixtrans-66152.3-179.628-35.7000112.1P207 L210 W277 L280 G501P205-P207 WeakPolarHBondContact O-CD 3.5Å; P205-L210 HydrophobicContact CG-CD1 4.45Å; P205-L210 HydrophobicContact CG-CD2 4.23Å; P205-W277 HydrophobicContact CB-CH2 3.63Å; P205-W277 HydrophobicContact CB-CZ2 4.38Å; P205-W277 HydrophobicContact CB-CZ3 4.29Å; P205-W277 HydrophobicContact CG-CH2 3.87Å; P205-W277 HydrophobicContact CG-CZ3 4.16Å; P205-L280 HydrophobicContact CG-CD1 4Å; P205-G501 WeakPolarHBondContact CD-O 3.26Å
206D88.2Confident89.6Confident78 Ų7854.2 Ų54.242%0.41728%0.275SS..PPolyproline II helixtrans-57.7122.7167.31749.9000109.5L208 L209 L210D206-L208 PolarHBondContact O-N 3.14Å; D206-L208 VanDerWaalsContact O-N 3.15Å; D206-L208 PolarHBondContact OD1-N 3.3Å; D206-L209 HydrophobicContact CB-CB 4.27Å; D206-L209 HydrophobicContact CB-CD1 4.11Å; D206-L209 HydrophobicContact CB-CG 4.1Å; D206-L209 PolarHBondContact O-N 3.4Å; D206-L209 VanDerWaalsContact O-N 3.08Å; D206-L210 PolarHBondContact O-N 3.47Å
207P87.1Confident89.2Confident16 Ų1657.1 Ų57.110%0.10430%0.301CS..Hα-helixtrans-53.9-33.6179-26.734.1000114.1P205 L210 Q211 N498P205-P207 WeakPolarHBondContact O-CD 3.5Å; P207-L210 PolarHBondContact O-N 2.97Å; P207-Q211 WeakPolarHBondContact O-CG 3.3Å; P207-Q211 PolarHBondContact O-N 3.3Å; P207-N498 WeakPolarHBondContact CG-ND2 3.47Å
208L86.2Confident88.8Confident106 Ų10658.8 Ų58.856%0.55531%0.314SS*.Hα-helixtrans-68.3-41.3179.1-68.7175.1000111.7D206 R212D206-L208 PolarHBondContact O-N 3.14Å; D206-L208 VanDerWaalsContact O-N 3.15Å; D206-L208 PolarHBondContact OD1-N 3.3Å; L208-R212 WeakPolarHBondContact O-CG 3.5Å; L208-R212 PolarHBondContact O-N 3.07Å
209L85.4Confident88.3Confident83 Ų8360.9 Ų60.944%0.43533%0.325SS..Hα-helixtrans-67.5-42173.7-65.5-179.9000110.9D206 Q211 R212 L213D206-L209 HydrophobicContact CB-CB 4.27Å; D206-L209 HydrophobicContact CB-CD1 4.11Å; D206-L209 HydrophobicContact CB-CG 4.1Å; D206-L209 PolarHBondContact O-N 3.4Å; D206-L209 VanDerWaalsContact O-N 3.08Å; L209-Q211 VanDerWaalsContact C-N 3.28Å; L209-Q211 PolarHBondContact O-N 2.92Å; L209-R212 PolarHBondContact O-N 3.44Å; L209-L213 WeakPolarHBondContact O-CG 3.49Å; L209-L213 PolarHBondContact O-N 2.86Å
210L88.5Confident88Confident0 Ų061.9 Ų61.90%033%0.332CS..Hα-helixtrans-57.6-40.5178.5-176.559.6000112.2P205 D206 P207 R212 W277 L280 L281 P505P205-L210 HydrophobicContact CG-CD1 4.45Å; P205-L210 HydrophobicContact CG-CD2 4.23Å; D206-L210 PolarHBondContact O-N 3.47Å; P207-L210 PolarHBondContact O-N 2.97Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.06Å; L210-W277 HydrophobicContact CD1-CZ3 4Å; L210-L280 HydrophobicContact CD1-CB 4.05Å; L210-L280 HydrophobicContact CD2-CB 4.46Å; L210-L280 HydrophobicContact CD2-CD2 4.4Å; L210-L281 HydrophobicContact CD1-CD2 3.95Å; L210-P505 HydrophobicContact CG-CG 4.19Å
211Q86.8Confident87.8Confident92 Ų9259.4 Ų59.443%0.4333%0.326SS..Hα-helixtrans-69.1-26.3177.4-72.4178.615.100114.1P207 L209 P505P207-Q211 WeakPolarHBondContact O-CG 3.3Å; P207-Q211 PolarHBondContact O-N 3.3Å; L209-Q211 VanDerWaalsContact C-N 3.28Å; L209-Q211 PolarHBondContact O-N 2.92Å; Q211-P505 HydrophobicContact CG-CB 4.42Å
212R87.6Confident87.4Confident169 Ų16959.9 Ų59.964%0.63833%0.327SS*.Hα-helixtrans-85-19.4-178.8-70.5174.4-177.4-170.81.6113.4L208 L209 L210L208-R212 WeakPolarHBondContact O-CG 3.5Å; L208-R212 PolarHBondContact O-N 3.07Å; L209-R212 PolarHBondContact O-N 3.44Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.06Å
213L86.8Confident87.4Confident50 Ų5058.2 Ų58.226%0.26232%0.32SS..SBendtrans-67.2142.4-179-74.6159.1000110.7L209 W277 L281L209-L213 WeakPolarHBondContact O-CG 3.49Å; L209-L213 PolarHBondContact O-N 2.86Å; L213-W277 HydrophobicContact CD1-CZ3 4.21Å; L213-L281 HydrophobicContact CB-CD2 3.82Å; L213-L281 HydrophobicContact CD1-CD2 4.29Å
214P85.6Confident87.4Confident106 Ų10660 Ų6069%0.68832%0.322SS*.  trans-63139.5176.828.1-33.8000109.4
215R87.8Confident87.5Confident60 Ų6059.1 Ų59.123%0.22631%0.314CS..  trans-135144.1178.2-66176.9-75.4139.72.9108.2S217 L281 E282R215-S217 PolarHBondContact O-N 2.89Å; R215-L281 WeakPolarHBondContact CB-O 3.5Å; R215-L281 HydrophobicContact CG-CB 4.27Å; R215-L281 HydrophobicContact CG-CD2 4.18Å; R215-L281 VanDerWaalsContact CG-O 3.25Å; R215-L281 WeakPolarHBondContact CG-O 3.42Å; R215-E282 IonicContact CZ-OE2 3.31Å; R215-E282 IonicContact NH1-OE1 2.73Å; R215-E282 PolarHBondContact NH1-OE1 2.83Å; R215-E282 IonicContact NH1-OE2 3.76Å; R215-E282 PolarHBondContact NH1-OE2 3.03Å
216P85.8Confident87.6Confident20 Ų2058.8 Ų58.813%0.1331%0.311CS..  trans-65.5127177.228.5-33.9000109.2D221 K222 L281 E283P216-D221 HydrophobicContact CB-CB 3.95Å; P216-K222 HydrophobicContact CB-CG 3.53Å; P216-K222 HydrophobicContact CG-CG 3.9Å; P216-L281 WeakPolarHBondContact CD-O 3.45Å; P216-E283 WeakPolarHBondContact CD-OE1 3.29Å
217S83.6Confident87.8Confident112 Ų11257 Ų5778%0.78330%0.304SS*.  trans-94.6-15.2177.669.50000112.7R215 D221R215-S217 PolarHBondContact O-N 2.89Å; S217-D221 PolarHBondContact N-OD2 3.33Å; S217-D221 PolarHBondContact OG-OD2 2.93Å
218S87Confident88.2Confident42 Ų4258.7 Ų58.729%0.29431%0.309SS..SBendtrans-147.4160.8-174.562.90000110.5S220 D221 K222S218-S220 PolarHBondContact O-N 2.92Å; S218-S220 PolarHBondContact OG-OG 2.85Å; S218-D221 PolarHBondContact N-OD2 2.84Å; S218-D221 WeakPolarHBondContact O-CB 3.37Å; S218-D221 PolarHBondContact O-N 3.01Å; S218-D221 VanDerWaalsContact O-N 3.07Å; S218-D221 PolarHBondContact OG-N 2.89Å; S218-D221 PolarHBondContact OG-OD2 3.49Å; S218-K222 PolarHBondContact O-N 3.01Å
219L84.4Confident88.7Confident44 Ų4454.6 Ų54.623%0.2329%0.286CS..Hα-helixtrans-59.5-32.7171.9-74.8169000112.1D221 K222 T223 Y553 I566 I577L219-D221 VanDerWaalsContact C-N 3.33Å; L219-D221 PolarHBondContact O-N 3.37Å; L219-K222 HydrophobicContact CD2-CD 4.44Å; L219-K222 PolarHBondContact O-N 3.22Å; L219-T223 WeakPolarHBondContact O-CG2 3.49Å; L219-T223 PolarHBondContact O-N 2.63Å; L219-Y553 HydrophobicContact CD2-CE1 4.26Å; L219-I566 HydrophobicContact CB-CD1 3.42Å; L219-I566 VanDerWaalsContact CB-CD1 3.42Å; L219-I566 HydrophobicContact CD1-CD1 4.29Å; L219-I566 HydrophobicContact CG-CD1 4.39Å; L219-I577 HydrophobicContact CD1-CG2 4.29Å
220S87.4Confident89.2Confident40 Ų4050.9 Ų50.928%0.2827%0.266SS..Hα-helixtrans-61.9-38.3173.440.30000112.8S218 K222 T223S218-S220 PolarHBondContact O-N 2.92Å; S218-S220 PolarHBondContact OG-OG 2.85Å; S220-K222 VanDerWaalsContact C-N 3.34Å; S220-T223 WeakPolarHBondContact O-CB 3.47Å; S220-T223 PolarHBondContact O-N 3.28Å; S220-T223 PolarHBondContact O-OG1 2.84Å
221D88.4Confident89.6Confident46 Ų4651.6 Ų51.625%0.24627%0.27CS..Hα-helixtrans-66.1-38.5176.7-63.1-35.1000111.2P216 S217 S218 L219 T223 Q224P216-D221 HydrophobicContact CB-CB 3.95Å; S217-D221 PolarHBondContact N-OD2 3.33Å; S217-D221 PolarHBondContact OG-OD2 2.93Å; S218-D221 PolarHBondContact N-OD2 2.84Å; S218-D221 WeakPolarHBondContact O-CB 3.37Å; S218-D221 PolarHBondContact O-N 3.01Å; S218-D221 VanDerWaalsContact O-N 3.07Å; S218-D221 PolarHBondContact OG-N 2.89Å; S218-D221 PolarHBondContact OG-OD2 3.49Å; L219-D221 VanDerWaalsContact C-N 3.33Å; L219-D221 PolarHBondContact O-N 3.37Å; D221-T223 PolarHBondContact O-N 3.39Å; D221-T223 VanDerWaalsContact O-N 3.15Å; D221-Q224 VanDerWaalsContact O-CB 3.3Å; D221-Q224 WeakPolarHBondContact O-CB 3.43Å; D221-Q224 WeakPolarHBondContact O-CG 3.36Å; D221-Q224 PolarHBondContact O-N 2.97Å; D221-Q224 PolarHBondContact OD1-NE2 2.94Å
222K87.9Confident90Very high16 Ų1647.4 Ų47.47%0.0725%0.251CS..Hα-helixtrans-57.7-29.2175.9-62.1-166.6-177.6-169.40112.1P216 S218 L219 S220 Q224 H226 E283 D285 Y553P216-K222 HydrophobicContact CB-CG 3.53Å; P216-K222 HydrophobicContact CG-CG 3.9Å; S218-K222 PolarHBondContact O-N 3.01Å; L219-K222 HydrophobicContact CD2-CD 4.44Å; L219-K222 PolarHBondContact O-N 3.22Å; S220-K222 VanDerWaalsContact C-N 3.34Å; K222-Q224 VanDerWaalsContact C-N 3.27Å; K222-Q224 PolarHBondContact O-N 3.16Å; K222-H226 PolarHBondContact O-CD2 3.28Å; K222-E283 WeakPolarHBondContact CE-O 3.11Å; K222-E283 PolarHBondContact NZ-O 3.2Å; K222-D285 IonicContact NZ-OD2 3.34Å; K222-D285 PolarHBondContact NZ-OD2 3.18Å; K222-Y553 HydrophobicContact CB-CD2 4.08Å; K222-Y553 HydrophobicContact CD-CD2 4.43Å; K222-Y553 HydrophobicContact CD-CE2 4.25Å
223T90.9Very high90.3Very high4 Ų440.7 Ų40.73%0.02523%0.23CC..Hα-helixtrans-68.4-21.1177.176.20000114.3L219 S220 D221 L225 H226 S227 Y553 M555L219-T223 WeakPolarHBondContact O-CG2 3.49Å; L219-T223 PolarHBondContact O-N 2.63Å; S220-T223 WeakPolarHBondContact O-CB 3.47Å; S220-T223 PolarHBondContact O-N 3.28Å; S220-T223 PolarHBondContact O-OG1 2.84Å; D221-T223 PolarHBondContact O-N 3.39Å; D221-T223 VanDerWaalsContact O-N 3.15Å; T223-L225 VanDerWaalsContact C-N 3.26Å; T223-L225 PolarHBondContact O-N 2.94Å; T223-H226 PolarHBondContact O-N 2.65Å; T223-S227 PolarHBondContact O-N 2.83Å; T223-Y553 WeakPolarHBondContact CA-O 3.46Å; T223-M555 HydrophobicContact CG2-CB 4.34Å
224Q90.4Very high90.6Very high115 Ų11542.1 Ų42.154%0.53723%0.232SC..Hα-helixtrans-70.1-23.4-177.6-60.9176.713.600112.9D221 K222 S227 R228D221-Q224 VanDerWaalsContact O-CB 3.3Å; D221-Q224 WeakPolarHBondContact O-CB 3.43Å; D221-Q224 WeakPolarHBondContact O-CG 3.36Å; D221-Q224 PolarHBondContact O-N 2.97Å; D221-Q224 PolarHBondContact OD1-NE2 2.94Å; K222-Q224 VanDerWaalsContact C-N 3.27Å; K222-Q224 PolarHBondContact O-N 3.16Å; Q224-S227 PolarHBondContact O-OG 3.22Å; Q224-R228 PolarHBondContact O-NE 3.34Å
225L90.9Very high91.1Very high23 Ų2337.3 Ų37.312%0.1220%0.201CC..Hα-helixtrans-66.9-53.5172.5-177.768.6000109.6L142 T223 S227 R228L142-L225 WeakPolarHBondContact CD1-O 3.28Å; L142-L225 HydrophobicContact CD2-CD1 3.71Å; T223-L225 VanDerWaalsContact C-N 3.26Å; T223-L225 PolarHBondContact O-N 2.94Å; L225-S227 VanDerWaalsContact C-N 3.28Å; L225-S227 PolarHBondContact O-N 3.39Å; L225-R228 PolarHBondContact O-N 2.93Å
226H92.8Very high91.6Very high12 Ų1234.4 Ų34.46%0.05619%0.19CC..Hα-helixtrans-72.4-17-172.7-56.7-75.7000113.9K222 T223 R228 W229 S552 Y553 Y630K222-H226 PolarHBondContact O-CD2 3.28Å; T223-H226 PolarHBondContact O-N 2.65Å; H226-R228 PolarHBondContact O-N 3.49Å; H226-W229 AromaticContact ND1-NE1 3.84Å; H226-S552 PolarHBondContact CE1-OG 2.77Å; H226-Y553 PolarHBondContact CD2-N 3.36Å; H226-Y553 VanDerWaalsContact CD2-N 3.28Å; H226-Y553 PolarHBondContact CD2-O 3.49Å; H226-Y553 PolarHBondContact NE2-N 2.93Å; H226-Y630 PolarHBondContact ND1-OH 3.14Å
227S92.3Very high92Very high40 Ų4034 Ų3428%0.2819%0.186SC..THydrogen-bonded Turntrans-74.7-11.4176.263.70000114.6T223 Q224 L225 S621 I626T223-S227 PolarHBondContact O-N 2.83Å; Q224-S227 PolarHBondContact O-OG 3.22Å; L225-S227 VanDerWaalsContact C-N 3.28Å; L225-S227 PolarHBondContact O-N 3.39Å; S227-S621 WeakPolarHBondContact CB-O 3.44Å; S227-I626 WeakPolarHBondContact O-CD1 3.31Å
228R94.9Very high92.5Very high53 Ų5331.3 Ų31.320%0.216%0.162CC..THydrogen-bonded Turntrans-1005.4-174.3-66.1-175.4-68.4131.1-6.1114.6L142 R143 P145 Q224 L225 H226 L230L142-R228 HydrophobicContact CD1-CB 3.8Å; L142-R228 HydrophobicContact CD2-CB 4.36Å; L142-R228 HydrophobicContact CG-CB 3.79Å; R143-R228 HydrophobicContact CB-CB 4.41Å; R143-R228 PolarHBondContact N-O 2.94Å; R143-R228 PolarHBondContact O-NH1 3.15Å; P145-R228 VanDerWaalsContact CD-NH1 3.28Å; P145-R228 VanDerWaalsContact N-NH1 3.18Å; Q224-R228 PolarHBondContact O-NE 3.34Å; L225-R228 PolarHBondContact O-N 2.93Å; H226-R228 PolarHBondContact O-N 3.49Å; R228-L230 PolarHBondContact O-N 3.45Å
229W97.4Very high92.9Very high19 Ų1931 Ų317%0.07216%0.155CC..BIsolated β-bridgetrans-63135.6175.9-71.1118.2000110.7L142 H226 R250 K252 I626 Y630L142-W229 HydrophobicContact CB-CE3 3.96Å; L142-W229 HydrophobicContact CB-CZ3 4.01Å; L142-W229 HydrophobicContact CD1-CB 4.28Å; L142-W229 HydrophobicContact CD1-CD2 3.33Å; L142-W229 HydrophobicContact CD1-CE3 3.56Å; L142-W229 HydrophobicContact CD1-CG 3.68Å; L142-W229 HydrophobicContact CD1-CH2 4.46Å; L142-W229 HydrophobicContact CD1-CZ2 4.25Å; L142-W229 HydrophobicContact CD1-CZ3 4.12Å; L142-W229 VanDerWaalsContact CD1-N 3.33Å; L142-W229 HydrophobicContact CG-CE3 4.43Å; H226-W229 AromaticContact ND1-NE1 3.84Å; W229-R250 HydrophobicContact CH2-CB 3.56Å; W229-R250 HydrophobicContact CZ2-CB 4.49Å; W229-R250 HydrophobicContact CZ3-CB 4.18Å; W229-K252 HydrophobicContact CD2-CD 3.98Å; W229-K252 HydrophobicContact CD2-CG 4.2Å; W229-K252 HydrophobicContact CE3-CD 4.02Å; W229-K252 HydrophobicContact CE3-CG 4.4Å; W229-K252 HydrophobicContact CG-CD 4.42Å; W229-K252 HydrophobicContact CH2-CB 3.62Å; W229-K252 HydrophobicContact CH2-CD 4.5Å; W229-K252 HydrophobicContact CH2-CG 4.04Å; W229-K252 HydrophobicContact CZ2-CB 3.86Å; W229-K252 HydrophobicContact CZ2-CD 4.5Å; W229-K252 HydrophobicContact CZ2-CG 3.86Å; W229-K252 HydrophobicContact CZ3-CB 4.04Å; W229-K252 HydrophobicContact CZ3-CD 4.29Å; W229-K252 HydrophobicContact CZ3-CG 4.34Å; W229-I626 HydrophobicContact CB-CD1 4.37Å; W229-I626 HydrophobicContact CB-CG1 4.36Å; W229-Y630 AromaticContact CD1-CE2 3.75Å; W229-Y630 AromaticContact NE1-CE2 3.89Å; W229-Y630 AromaticContact NE1-CZ 3.69Å; W229-Y630 PolarHBondContact NE1-OH 2.97Å
230L97.1Very high93.3Very high5 Ų531.1 Ų31.13%0.02617%0.167CC..PPolyproline II helixtrans-78149.8168.8-61.6-177.4000109.4L120 L141 R143 R228 L236 Q239 I241 L247L120-L230 HydrophobicContact CD2-CB 3.32Å; L120-L230 HydrophobicContact CD2-CD1 4.48Å; L141-L230 HydrophobicContact CB-CD1 3.96Å; L141-L230 WeakPolarHBondContact O-CB 3.46Å; L141-L230 PolarHBondContact O-N 2.87Å; L141-L230 VanDerWaalsContact O-N 3.1Å; R143-L230 HydrophobicContact CB-CD2 4.48Å; R228-L230 PolarHBondContact O-N 3.45Å; L230-L236 HydrophobicContact CD1-CD2 3.85Å; L230-Q239 VanDerWaalsContact CA-OE1 3.27Å; L230-Q239 VanDerWaalsContact CB-OE1 3.28Å; L230-Q239 HydrophobicContact CD2-CB 4.42Å; L230-I241 HydrophobicContact CD1-CD1 4.36Å; L230-I241 HydrophobicContact CD1-CG1 4.2Å; L230-I241 HydrophobicContact CD2-CD1 4.29Å; L230-L247 HydrophobicContact CD1-CD1 4.41Å; L230-L247 HydrophobicContact CD1-CD2 4.02Å
231D95.4Very high93.7Very high16 Ų1629.3 Ų29.39%0.08615%0.154CC..PPolyproline II helixtrans-76.1116.8179.5-178.8-18.4000109.4L120 S233 R234 Q239 R625L120-D231 WeakPolarHBondContact CB-O 3.44Å; D231-S233 PolarHBondContact O-N 2.81Å; D231-S233 WeakPolarHBondContact OD1-CB 3.26Å; D231-S233 PolarHBondContact OD1-N 3.02Å; D231-S233 PolarHBondContact OD1-OG 3.34Å; D231-R234 HydrophobicContact CB-CB 4.45Å; D231-R234 PolarHBondContact O-N 3.36Å; D231-R234 IonicContact OD2-NE 2.74Å; D231-Q239 PolarHBondContact O-NE2 3.29Å; D231-R625 WeakPolarHBondContact OD2-CD 3.27Å; D231-R625 IonicContact OD2-CZ 2.77Å; D231-R625 IonicContact OD2-NH1 3.45Å; D231-R625 PolarHBondContact OD2-NH1 2.92Å
232S95.9Very high94Very high4 Ų433.1 Ų33.13%0.02817%0.169CC..THydrogen-bonded Turntrans-66.6-20.1-175.7-63.70000114.2L120 F121 E629L120-S232 PolarHBondContact N-O 3.5Å; F121-S232 PolarHBondContact N-O 2.89Å; S232-E629 WeakPolarHBondContact CB-OE1 3.09Å; S232-E629 PolarHBondContact OG-OE1 3.21Å
233S93.6Very high94.1Very high28 Ų2833.6 Ų33.620%0.19618%0.175CC..THydrogen-bonded Turntrans-83.6-14.3-179.970.40000113.8D231 G658D231-S233 PolarHBondContact O-N 2.81Å; D231-S233 WeakPolarHBondContact OD1-CB 3.26Å; D231-S233 PolarHBondContact OD1-N 3.02Å; D231-S233 PolarHBondContact OD1-OG 3.34Å; S233-G658 VanDerWaalsContact CB-CA 3.48Å
234R93.9Very high94.2Very high79 Ų7935.1 Ų35.130%0.29819%0.192SC..SBendtrans-112.8150.4-175.1-69.2-175.8171.2-166.4-3.6111.6L120 D231 Q238 Q239 R625 E661L120-R234 VanDerWaalsContact CB-O 3.27Å; L120-R234 WeakPolarHBondContact CB-O 3.27Å; L120-R234 PolarHBondContact N-O 3.32Å; D231-R234 HydrophobicContact CB-CB 4.45Å; D231-R234 PolarHBondContact O-N 3.36Å; D231-R234 IonicContact OD2-NE 2.74Å; R234-Q238 HydrophobicContact CB-CB 4.29Å; R234-Q239 HydrophobicContact CB-CG 4.17Å; R234-Q239 PolarHBondContact O-NE2 2.83Å; R234-Q239 VanDerWaalsContact O-NE2 3.08Å; R234-R625 VanDerWaalsContact CZ-CZ 3.48Å; R234-R625 VanDerWaalsContact NE-NH1 3.1Å; R234-R625 VanDerWaalsContact NH2-CZ 3.33Å; R234-E661 IonicContact CZ-OE2 3.37Å; R234-E661 IonicContact NH2-OE1 3.53Å; R234-E661 IonicContact NH2-OE2 3.61Å; R234-E661 PolarHBondContact NH2-OE2 3.13Å
235C95.9Very high94.5Very high5 Ų532.2 Ų32.23%0.03418%0.18CC..BIsolated β-bridgetrans-74162.1177.474.80000112.2F116 Q118 M237 Q238 Q239F116-C235 WeakPolarHBondContact O-CB 3.43Å; F116-C235 PolarHBondContact O-SG 3.26Å; F116-C235 VanDerWaalsContact O-SG 3.34Å; Q118-C235 WeakPolarHBondContact O-CA 3.16Å; Q118-C235 WeakPolarHBondContact O-CB 3.38Å; C235-M237 PolarHBondContact O-N 3.41Å; C235-Q238 PolarHBondContact O-N 3.38Å; C235-Q238 VanDerWaalsContact SG-CG 3.53Å; C235-Q239 WeakPolarHBondContact O-CG 3.4Å; C235-Q239 PolarHBondContact O-N 2.83Å
236L97Very high94.7Very high0 Ų033.9 Ų33.90%019%0.191CC..THydrogen-bonded Turntrans-58-37.7-179.8-69.9175.6000112.4A114 S115 F116 L120 L141 L230 Q239 G240 I241 L247A114-L236 HydrophobicContact CB-CD1 4.15Å; S115-L236 WeakPolarHBondContact O-CD1 3.3Å; F116-L236 HydrophobicContact CB-CB 4.47Å; F116-L236 HydrophobicContact CD1-CB 3.89Å; F116-L236 HydrophobicContact CD2-CB 4.49Å; F116-L236 HydrophobicContact CD2-CD1 3.93Å; F116-L236 HydrophobicContact CE1-CB 4.25Å; F116-L236 HydrophobicContact CE2-CD1 3.85Å; F116-L236 HydrophobicContact CG-CB 4.04Å; F116-L236 HydrophobicContact CG-CD1 4.32Å; F116-L236 HydrophobicContact CZ-CD1 4.23Å; L120-L236 HydrophobicContact CD1-CD2 3.8Å; L120-L236 HydrophobicContact CD1-CG 4.5Å; L141-L236 HydrophobicContact CD1-CD2 4.27Å; L230-L236 HydrophobicContact CD1-CD2 3.85Å; L236-Q239 PolarHBondContact O-N 3.41Å; L236-G240 PolarHBondContact O-N 3.39Å; L236-I241 HydrophobicContact CB-CB 4.11Å; L236-I241 HydrophobicContact CB-CG1 4.42Å; L236-I241 HydrophobicContact CB-CG2 4.5Å; L236-I241 HydrophobicContact CD2-CB 4.49Å; L236-I241 HydrophobicContact CD2-CG1 4.09Å; L236-I241 WeakPolarHBondContact O-CB 3.22Å; L236-I241 PolarHBondContact O-N 2.99Å; L236-I241 VanDerWaalsContact O-N 3.14Å; L236-L247 HydrophobicContact CD2-CD1 4.01Å
237M94.6Very high95Very high10 Ų1033.4 Ų33.45%0.04919%0.189CC..THydrogen-bonded Turntrans-65.5-42.2-179.6-158.867.573.800112.4W65 W72 F116 C235 Q239 G240W65-M237 HydrophobicContact CD2-CG 3.72Å; W65-M237 VanDerWaalsContact CE2-CG 3.44Å; W65-M237 HydrophobicContact CE3-CB 4.27Å; W65-M237 HydrophobicContact CE3-CG 3.93Å; W65-M237 HydrophobicContact CG-CG 4.4Å; W65-M237 HydrophobicContact CH2-CB 3.77Å; W65-M237 HydrophobicContact CH2-CG 3.62Å; W65-M237 HydrophobicContact CZ2-CB 4.08Å; W65-M237 HydrophobicContact CZ2-CG 3.4Å; W65-M237 HydrophobicContact CZ3-CB 3.87Å; W65-M237 HydrophobicContact CZ3-CG 3.88Å; W72-M237 HydrophobicContact CZ2-CE 3.78Å; F116-M237 HydrophobicContact CB-CE 3.98Å; F116-M237 HydrophobicContact CD1-CE 3.76Å; F116-M237 HydrophobicContact CD1-SD 4.32Å; F116-M237 HydrophobicContact CG-CE 4.27Å; C235-M237 PolarHBondContact O-N 3.41Å; M237-Q239 PolarHBondContact O-N 2.94Å; M237-Q239 VanDerWaalsContact O-N 3.13Å; M237-G240 PolarHBondContact O-N 3.3Å
238Q94.8Very high95.2Very high57 Ų5733.8 Ų33.827%0.26618%0.184SC..THydrogen-bonded Turntrans-58.6-27.8176.3-82.3172.5-22.400113W65 R70 R234 C235 G240W65-Q238 HydrophobicContact CH2-CG 3.92Å; W65-Q238 HydrophobicContact CZ3-CG 4.34Å; R70-Q238 HydrophobicContact CB-CG 4.3Å; R70-Q238 WeakPolarHBondContact O-CG 3.38Å; R70-Q238 PolarHBondContact O-NE2 3.33Å; R234-Q238 HydrophobicContact CB-CB 4.29Å; C235-Q238 PolarHBondContact O-N 3.38Å; C235-Q238 VanDerWaalsContact SG-CG 3.53Å; Q238-G240 VanDerWaalsContact C-N 3.35Å
239Q94.6Very high95.4Very high35 Ų3531.3 Ų31.316%0.16418%0.175CC..THydrogen-bonded Turntrans-92.44.5-178.9-57.7-1726600112.4R143 L230 D231 R234 C235 L236 M237R143-Q239 PolarHBondContact NH2-O 3.49Å; L230-Q239 VanDerWaalsContact CA-OE1 3.27Å; L230-Q239 VanDerWaalsContact CB-OE1 3.28Å; L230-Q239 HydrophobicContact CD2-CB 4.42Å; D231-Q239 PolarHBondContact O-NE2 3.29Å; R234-Q239 HydrophobicContact CB-CG 4.17Å; R234-Q239 PolarHBondContact O-NE2 2.83Å; R234-Q239 VanDerWaalsContact O-NE2 3.08Å; C235-Q239 WeakPolarHBondContact O-CG 3.4Å; C235-Q239 PolarHBondContact O-N 2.83Å; L236-Q239 PolarHBondContact O-N 3.41Å; M237-Q239 PolarHBondContact O-N 2.94Å; M237-Q239 VanDerWaalsContact O-N 3.13Å
240G94.1Very high95.5Very high46 Ų4631.7 Ų31.747%0.47418%0.176SC..THydrogen-bonded Turntrans68.835.117800000113.1L236 M237 Q238L236-G240 PolarHBondContact O-N 3.39Å; M237-G240 PolarHBondContact O-N 3.3Å; Q238-G240 VanDerWaalsContact C-N 3.35Å
241I95.6Very high95.5Very high2 Ų231.5 Ų31.51%0.0118%0.175CC..  trans-87.9135166.3-56.8-53.2000108.3F116 R143 L230 L236 D245 L247F116-I241 HydrophobicContact CE1-CB 4.31Å; F116-I241 HydrophobicContact CE1-CG2 3.9Å; F116-I241 WeakPolarHBondContact CE1-O 3.48Å; F116-I241 HydrophobicContact CZ-CG2 4.06Å; R143-I241 VanDerWaalsContact CZ-CD1 3.46Å; L230-I241 HydrophobicContact CD1-CD1 4.36Å; L230-I241 HydrophobicContact CD1-CG1 4.2Å; L230-I241 HydrophobicContact CD2-CD1 4.29Å; L236-I241 HydrophobicContact CB-CB 4.11Å; L236-I241 HydrophobicContact CB-CG1 4.42Å; L236-I241 HydrophobicContact CB-CG2 4.5Å; L236-I241 HydrophobicContact CD2-CB 4.49Å; L236-I241 HydrophobicContact CD2-CG1 4.09Å; L236-I241 WeakPolarHBondContact O-CB 3.22Å; L236-I241 PolarHBondContact O-N 2.99Å; L236-I241 VanDerWaalsContact O-N 3.14Å; I241-D245 HydrophobicContact CG2-CB 4.01Å; I241-L247 HydrophobicContact CD1-CD2 3.85Å; I241-L247 HydrophobicContact CG1-CD2 4.39Å; I241-L247 HydrophobicContact CG2-CD1 4.18Å; I241-L247 HydrophobicContact CG2-CD2 4.5Å
242K93.1Very high95.6Very high127 Ų12730.7 Ų30.755%0.55217%0.171SC*.  trans-107.9165.4179-60.5-173.4178.1-168.20111.5G244 D245K242-G244 PolarHBondContact O-N 3.45Å; K242-D245 PolarHBondContact N-OD2 3.22Å; K242-D245 WeakPolarHBondContact O-CB 3.45Å; K242-D245 PolarHBondContact O-N 3.02Å
243A91.9Very high95.7Very high25 Ų2530.6 Ų30.621%0.20717%0.17CC..THydrogen-bonded Turntrans-61.4137.6171.800000110.2E24 R98 D245E24-A243 WeakPolarHBondContact OE1-CB 3.45Å; E24-A243 WeakPolarHBondContact OE2-CB 3.28Å; R98-A243 HydrophobicContact CB-CB 4.04Å; A243-D245 VanDerWaalsContact C-N 3.25Å; A243-D245 PolarHBondContact O-N 3.22Å
244G92.7Very high95.8Very high37 Ų3730.5 Ų30.538%0.38117%0.166SC..THydrogen-bonded Turntrans80.8-5.5-17800000115.1P99 K242P99-G244 PolarHBondContact O-N 3.44Å; K242-G244 PolarHBondContact O-N 3.45Å
245D95.4Very high95.7Very high53 Ų5328.7 Ų28.728%0.28317%0.165SC..  trans-60.1149.9177-82.4-6.6000111.9I101 I241 K242 A243I101-D245 PolarHBondContact N-O 2.96Å; I241-D245 HydrophobicContact CG2-CB 4.01Å; K242-D245 PolarHBondContact N-OD2 3.22Å; K242-D245 WeakPolarHBondContact O-CB 3.45Å; K242-D245 PolarHBondContact O-N 3.02Å; A243-D245 VanDerWaalsContact C-N 3.25Å; A243-D245 PolarHBondContact O-N 3.22Å
246V96.5Very high95.6Very high59 Ų5929.9 Ų29.936%0.35817%0.17SC..EExtended strand (participates in β ladder)trans-90.4121.9175.5-175.50000109.8I101 A144I101-V246 HydrophobicContact CB-CG2 4.03Å; I101-V246 HydrophobicContact CD1-CG2 4.3Å; I101-V246 HydrophobicContact CG2-CG1 4.42Å; I101-V246 HydrophobicContact CG2-CG2 4.2Å; I101-V246 CarbonylContact O-C 3.55Å; I101-V246 VanDerWaalsContact O-CA 3.29Å; I101-V246 WeakPolarHBondContact O-CA 3.47Å; A144-V246 HydrophobicContact CB-CB 4.11Å; A144-V246 HydrophobicContact CB-CG1 4.15Å; A144-V246 VanDerWaalsContact CB-O 3.26Å; A144-V246 WeakPolarHBondContact CB-O 3.45Å
247L97.8Very high95.2Very high1 Ų131.7 Ų31.71%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-118.3152.3173.2-63.4179.3000109.9I101 L102 R103 L141 L230 L236 I241I101-L247 PolarHBondContact O-N 2.7Å; L102-L247 CarbonylContact C-O 3.41Å; L102-L247 WeakPolarHBondContact CA-O 3.39Å; L102-L247 HydrophobicContact CD1-CB 4.26Å; R103-L247 PolarHBondContact N-O 2.71Å; L141-L247 HydrophobicContact CD1-CD1 3.69Å; L230-L247 HydrophobicContact CD1-CD1 4.41Å; L230-L247 HydrophobicContact CD1-CD2 4.02Å; L236-L247 HydrophobicContact CD2-CD1 4.01Å; I241-L247 HydrophobicContact CD1-CD2 3.85Å; I241-L247 HydrophobicContact CG1-CD2 4.39Å; I241-L247 HydrophobicContact CG2-CD1 4.18Å; I241-L247 HydrophobicContact CG2-CD2 4.5Å
248W98Very high94.8Very high48 Ų4833.6 Ų33.618%0.18219%0.188CC..EExtended strand (participates in β ladder)trans-108.1125.1176.2-67.517.1000109.2R103 L141 L142 P145 R250R103-W248 HydrophobicContact CB-CG 4.09Å; R103-W248 CarbonylContact O-C 3.52Å; R103-W248 WeakPolarHBondContact O-CA 3.32Å; L141-W248 WeakPolarHBondContact CA-O 3Å; L142-W248 HydrophobicContact CB-CB 4.14Å; L142-W248 HydrophobicContact CD2-CE3 4.24Å; L142-W248 PolarHBondContact N-O 2.86Å; L142-W248 PolarHBondContact O-N 2.82Å; P145-W248 HydrophobicContact CG-CH2 4.23Å; P145-W248 HydrophobicContact CG-CZ2 3.92Å; W248-R250 HydrophobicContact CB-CG 4.48Å
249L98.4Very high94.5Very high1 Ų132.5 Ų32.51%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-85.1126.6167.3-175.865.7000108.4L102 R103 L104 P105 L131 I133 L139 L141L102-L249 HydrophobicContact CD1-CB 3.92Å; L102-L249 HydrophobicContact CD2-CB 4.01Å; L102-L249 HydrophobicContact CD2-CD2 4.14Å; L102-L249 HydrophobicContact CG-CB 3.99Å; R103-L249 PolarHBondContact O-N 2.88Å; L104-L249 HydrophobicContact CD2-CD2 4.13Å; P105-L249 VanDerWaalsContact CD-O 3.26Å; P105-L249 WeakPolarHBondContact CD-O 3.49Å; P105-L249 WeakPolarHBondContact CG-O 3.35Å; L131-L249 HydrophobicContact CD1-CD2 3.91Å; I133-L249 HydrophobicContact CD1-CD2 4.23Å; L139-L249 HydrophobicContact CB-CD1 4.1Å; L139-L249 HydrophobicContact CD2-CD1 4.08Å; L139-L249 HydrophobicContact CD2-CD2 4.17Å; L139-L249 HydrophobicContact CD2-CG 4.01Å; L141-L249 HydrophobicContact CD2-CB 4.3Å; L141-L249 HydrophobicContact CD2-CD1 3.88Å
250R98.3Very high94.2Very high27 Ų2732.4 Ų32.410%0.10219%0.185CC..EExtended strand (participates in β ladder)trans-143.7149-179.1-71.4-76.6-70-137.23109.4L139 S140 W229 W248 K252 D278L139-R250 WeakPolarHBondContact CA-O 3.28Å; S140-R250 PolarHBondContact N-O 2.94Å; S140-R250 VanDerWaalsContact N-O 3.1Å; S140-R250 PolarHBondContact O-N 2.79Å; W229-R250 HydrophobicContact CH2-CB 3.56Å; W229-R250 HydrophobicContact CZ2-CB 4.49Å; W229-R250 HydrophobicContact CZ3-CB 4.18Å; W248-R250 HydrophobicContact CB-CG 4.48Å; R250-K252 PolarHBondContact O-N 2.89Å; R250-D278 IonicContact CZ-OD1 3.91Å; R250-D278 IonicContact NH1-OD1 3.81Å; R250-D278 IonicContact NH2-OD1 3.83Å; R250-D278 PolarHBondContact NH2-OD1 2.9Å; R250-D278 IonicContact NH2-OD2 2.8Å
251F98.4Very high93.8Very high1 Ų132 Ų320%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-67.1118.6164.4-67.1-96.8000107.9E138 L139 F256 R267 Q270 L271 Q274E138-F251 HydrophobicContact CB-CD1 4.33Å; E138-F251 CarbonylContact O-C 3.51Å; L139-F251 HydrophobicContact CD1-CD1 4.11Å; L139-F251 HydrophobicContact CD1-CE1 3.9Å; L139-F251 HydrophobicContact CD1-CZ 4.49Å; L139-F251 HydrophobicContact CD2-CD1 4.32Å; L139-F251 HydrophobicContact CD2-CD2 4.32Å; L139-F251 HydrophobicContact CD2-CE1 4.17Å; L139-F251 HydrophobicContact CD2-CE2 4.16Å; L139-F251 HydrophobicContact CD2-CG 4.39Å; L139-F251 HydrophobicContact CD2-CZ 4.09Å; L139-F251 HydrophobicContact CG-CD1 3.89Å; L139-F251 HydrophobicContact CG-CE1 4.02Å; L139-F251 HydrophobicContact CG-CG 4.21Å; L139-F251 HydrophobicContact CG-CZ 4.44Å; F251-F256 HydrophobicContact CB-CE1 4.21Å; F251-F256 HydrophobicContact CD1-CD1 4.23Å; F251-F256 AromaticContact CD1-CE1 3.87Å; F251-F256 HydrophobicContact CD1-CE1 3.87Å; F251-F256 HydrophobicContact CG-CE1 4.32Å; F251-R267 HydrophobicContact CE1-CG 4.23Å; F251-R267 HydrophobicContact CZ-CG 4.12Å; F251-Q270 HydrophobicContact CE2-CB 4.12Å; F251-L271 HydrophobicContact CB-CD1 4.48Å; F251-L271 HydrophobicContact CD1-CD1 4.08Å; F251-L271 HydrophobicContact CD2-CB 4.45Å; F251-L271 HydrophobicContact CD2-CD1 3.94Å; F251-L271 HydrophobicContact CE1-CB 4.31Å; F251-L271 HydrophobicContact CE1-CD1 4.28Å; F251-L271 HydrophobicContact CE2-CB 3.83Å; F251-L271 HydrophobicContact CE2-CD1 4.16Å; F251-L271 HydrophobicContact CG-CD1 3.91Å; F251-L271 HydrophobicContact CZ-CB 3.74Å; F251-L271 HydrophobicContact CZ-CD1 4.32Å; F251-Q274 PolarHBondContact O-NE2 3.11Å; F251-Q274 VanDerWaalsContact O-NE2 3.14Å
252K97.9Very high93.3Very high0 Ų041.2 Ų41.20%021%0.213CC..  trans-93-41.5-175.9-179.8171.1179.6172.40111.2E138 W229 R250 E629 Y630E138-K252 PolarHBondContact O-N 3.41Å; W229-K252 HydrophobicContact CD2-CD 3.98Å; W229-K252 HydrophobicContact CD2-CG 4.2Å; W229-K252 HydrophobicContact CE3-CD 4.02Å; W229-K252 HydrophobicContact CE3-CG 4.4Å; W229-K252 HydrophobicContact CG-CD 4.42Å; W229-K252 HydrophobicContact CH2-CB 3.62Å; W229-K252 HydrophobicContact CH2-CD 4.5Å; W229-K252 HydrophobicContact CH2-CG 4.04Å; W229-K252 HydrophobicContact CZ2-CB 3.86Å; W229-K252 HydrophobicContact CZ2-CD 4.5Å; W229-K252 HydrophobicContact CZ2-CG 3.86Å; W229-K252 HydrophobicContact CZ3-CB 4.04Å; W229-K252 HydrophobicContact CZ3-CD 4.29Å; W229-K252 HydrophobicContact CZ3-CG 4.34Å; R250-K252 PolarHBondContact O-N 2.89Å; K252-E629 IonicContact NZ-OE1 3.89Å; K252-E629 PolarHBondContact NZ-OE1 3.48Å; K252-E629 IonicContact NZ-OE2 3.55Å; K252-E629 PolarHBondContact NZ-OE2 2.91Å; K252-E629 VanDerWaalsContact NZ-OE2 3.13Å; K252-Y630 HydrophobicContact CG-CE1 3.99Å
253Y97.5Very high92.9Very high2 Ų238.4 Ų38.41%0.00821%0.207CC..SBendtrans-108.9124.3-176-56.2-80.7000111.1E137 E138 S255 F256 E629 Y630 Y634 L637E137-Y253 WeakPolarHBondContact O-CD2 2.96Å; E138-Y253 PolarHBondContact O-N 3.11Å; Y253-S255 PolarHBondContact O-N 3.27Å; Y253-F256 WeakPolarHBondContact O-CE1 3.45Å; Y253-E629 PolarHBondContact OH-O 3.43Å; Y253-Y630 HydrophobicContact CD1-CD1 4.25Å; Y253-Y630 HydrophobicContact CE1-CD1 4.02Å; Y253-Y634 AromaticContact CD1-CD1 3.84Å; Y253-Y634 HydrophobicContact CD1-CD1 3.84Å; Y253-Y634 HydrophobicContact CD1-CD2 4.27Å; Y253-Y634 AromaticContact CD1-CE1 3.86Å; Y253-Y634 HydrophobicContact CD1-CE1 3.86Å; Y253-Y634 HydrophobicContact CD1-CE2 4.28Å; Y253-Y634 HydrophobicContact CD1-CG 4.05Å; Y253-Y634 HydrophobicContact CG-CD1 4.5Å; Y253-Y634 HydrophobicContact CG-CE1 4.33Å; Y253-L637 HydrophobicContact CD1-CD1 3.87Å; Y253-L637 HydrophobicContact CD2-CD1 3.84Å; Y253-L637 HydrophobicContact CG-CD1 3.37Å
254Y95.3Very high92.7Very high26 Ų2637.3 Ų37.310%0.10220%0.198CC..SBendtrans-89.652-173.9-68.9-111.8000111.3F256 W543 F549 G550 Y634Y254-F256 HydrophobicContact CD1-CZ 4.27Å; Y254-F256 HydrophobicContact CG-CZ 4.48Å; Y254-W543 AromaticContact CD1-CH2 3.71Å; Y254-W543 HydrophobicContact CD1-CH2 3.71Å; Y254-W543 HydrophobicContact CD1-CZ2 4.13Å; Y254-W543 HydrophobicContact CD1-CZ3 4.43Å; Y254-W543 AromaticContact CE1-CH2 3.34Å; Y254-W543 HydrophobicContact CE1-CH2 3.34Å; Y254-W543 AromaticContact CE1-CZ2 3.48Å; Y254-W543 HydrophobicContact CE1-CZ2 3.48Å; Y254-W543 VanDerWaalsContact CE1-CZ2 3.48Å; Y254-W543 HydrophobicContact CE1-CZ3 4.43Å; Y254-F549 HydrophobicContact CD1-CD2 4.24Å; Y254-F549 AromaticContact CD1-CE2 3.59Å; Y254-F549 HydrophobicContact CD1-CE2 3.59Å; Y254-F549 AromaticContact CD1-CZ 3.76Å; Y254-F549 HydrophobicContact CD1-CZ 3.76Å; Y254-F549 HydrophobicContact CE1-CE2 4.36Å; Y254-F549 HydrophobicContact CG-CZ 4.32Å; Y254-G550 VanDerWaalsContact CB-CA 3.46Å; Y254-G550 VanDerWaalsContact CG-CA 3.45Å; Y254-Y634 PolarHBondContact N-OH 2.8Å
255S92.6Very high92.7Very high40 Ų4037.5 Ų37.528%0.2819%0.192SC..  trans-137.683.9177.6-174.80000108.4Y253Y253-S255 PolarHBondContact O-N 3.27Å
256F93.1Very high92.8Very high31 Ų3135 Ų3514%0.13618%0.179CC..  trans-87.3122.3-172.2-45.7-57.3000111.2E138 F251 Y253 Y254 L271 W543 F549E138-F256 WeakPolarHBondContact OE1-CA 3.4Å; F251-F256 HydrophobicContact CB-CE1 4.21Å; F251-F256 HydrophobicContact CD1-CD1 4.23Å; F251-F256 AromaticContact CD1-CE1 3.87Å; F251-F256 HydrophobicContact CD1-CE1 3.87Å; F251-F256 HydrophobicContact CG-CE1 4.32Å; Y253-F256 WeakPolarHBondContact O-CE1 3.45Å; Y254-F256 HydrophobicContact CD1-CZ 4.27Å; Y254-F256 HydrophobicContact CG-CZ 4.48Å; F256-L271 HydrophobicContact CB-CD2 4.48Å; F256-L271 HydrophobicContact CD1-CD1 4.36Å; F256-L271 HydrophobicContact CD1-CD2 4.07Å; F256-L271 HydrophobicContact CD2-CD1 4.44Å; F256-L271 HydrophobicContact CD2-CD2 3.73Å; F256-L271 HydrophobicContact CE1-CD1 3.75Å; F256-L271 HydrophobicContact CE1-CD2 4.27Å; F256-L271 HydrophobicContact CE2-CD1 3.86Å; F256-L271 HydrophobicContact CE2-CD2 3.96Å; F256-L271 HydrophobicContact CE2-CG 4.47Å; F256-L271 HydrophobicContact CG-CD2 3.81Å; F256-L271 HydrophobicContact CZ-CD1 3.49Å; F256-L271 VanDerWaalsContact CZ-CD1 3.49Å; F256-L271 HydrophobicContact CZ-CD2 4.24Å; F256-L271 HydrophobicContact CZ-CG 4.49Å; F256-W543 AromaticContact CE2-CZ3 3.87Å; F256-W543 HydrophobicContact CE2-CZ3 3.87Å; F256-W543 HydrophobicContact CZ-CH2 4.41Å; F256-W543 HydrophobicContact CZ-CZ3 4.05Å; F256-F549 HydrophobicContact CE2-CE2 4.34Å; F256-F549 AromaticContact CE2-CZ 3.9Å; F256-F549 HydrophobicContact CE2-CZ 3.9Å
257F87.8Confident92.8Very high37 Ų3732.1 Ų32.116%0.16216%0.162CC..  trans-98.6138.5-176.7-171.6-87.5000111.7H135 E138 L259 R267 E641 R642H135-F257 AromaticContact CE1-CD1 3.61Å; H135-F257 AromaticContact NE2-CD1 3.82Å; E138-F257 PolarHBondContact OE1-N 3.38Å; F257-L259 VanDerWaalsContact C-N 3.28Å; F257-L259 PolarHBondContact O-N 3.11Å; F257-L259 VanDerWaalsContact O-N 3.1Å; F257-R267 VanDerWaalsContact O-CZ 3.31Å; F257-R267 PolarHBondContact O-NH1 2.82Å; F257-R267 PolarHBondContact O-NH2 3.22Å; F257-E641 VanDerWaalsContact CE2-O 3.27Å; F257-E641 WeakPolarHBondContact CE2-O 3.44Å; F257-E641 WeakPolarHBondContact CZ-O 3.48Å; F257-R642 HydrophobicContact CE2-CB 4.4Å; F257-R642 HydrophobicContact CE2-CG 4.12Å; F257-R642 VanDerWaalsContact CZ-CA 3.45Å
258D86.7Confident92.7Very high51 Ų5132.1 Ų32.127%0.27316%0.162SC..  trans43.649.5173.3-173.347.8000113.5R134 D260 R267R134-D258 IonicContact CZ-OD2 3.46Å; R134-D258 IonicContact NH1-OD2 2.95Å; R134-D258 PolarHBondContact NH1-OD2 2.78Å; R134-D258 PolarHBondContact NH2-O 2.68Å; R134-D258 IonicContact NH2-OD2 3.8Å; R134-D258 PolarHBondContact NH2-OD2 2.86Å; R134-D258 VanDerWaalsContact NH2-OD2 3.13Å; D258-D260 VanDerWaalsContact C-N 3.3Å; D258-D260 PolarHBondContact O-N 2.87Å; D258-R267 PolarHBondContact O-NH1 2.99Å
259L89.4Confident92.8Very high33 Ų3330 Ų3017%0.17315%0.154CC..  trans-7486.7178.9-170.168.9000109.5F257 R267 L268 L271 L537 I540F257-L259 VanDerWaalsContact C-N 3.28Å; F257-L259 PolarHBondContact O-N 3.11Å; F257-L259 VanDerWaalsContact O-N 3.1Å; L259-R267 HydrophobicContact CD1-CG 4.26Å; L259-L268 HydrophobicContact CD1-CD1 4.41Å; L259-L268 HydrophobicContact CD2-CD1 3.93Å; L259-L268 HydrophobicContact CG-CD1 4.16Å; L259-L271 HydrophobicContact CD1-CD2 4.34Å; L259-L271 HydrophobicContact CD2-CD2 3.84Å; L259-L537 HydrophobicContact CD2-CD1 3.84Å; L259-L537 HydrophobicContact CG-CD1 4.4Å; L259-I540 HydrophobicContact CD2-CD1 4.12Å; L259-I540 HydrophobicContact CD2-CG2 4.48Å
260D86.9Confident92.8Very high34 Ų3430 Ų3018%0.18215%0.154CC..  trans-101.2111.9-177.2177-0.6000110.7D258 K262 T263 D264 R644D258-D260 VanDerWaalsContact C-N 3.3Å; D258-D260 PolarHBondContact O-N 2.87Å; D260-K262 PolarHBondContact O-N 2.86Å; D260-K262 WeakPolarHBondContact OD1-CB 3.45Å; D260-K262 PolarHBondContact OD1-N 3.22Å; D260-T263 WeakPolarHBondContact CB-OG1 3.4Å; D260-T263 PolarHBondContact O-N 3.4Å; D260-T263 VanDerWaalsContact O-N 3.14Å; D260-T263 PolarHBondContact O-OG1 3.06Å; D260-D264 WeakPolarHBondContact O-CB 3.37Å; D260-D264 PolarHBondContact O-N 3.35Å; D260-R644 IonicContact OD2-NH2 3.96Å; D260-R644 PolarHBondContact OD2-NH2 3.47Å
261P86.2Confident92.8Very high37 Ų3728.7 Ų28.724%0.2415%0.149CC..THydrogen-bonded Turntrans-58.3-21-178.2-23.833.5000115.3L268 A533 L537P261-L268 HydrophobicContact CB-CD2 3.8Å; P261-L268 HydrophobicContact CG-CD2 4.18Å; P261-A533 HydrophobicContact CB-CB 3.65Å; P261-L537 HydrophobicContact CG-CD2 4.1Å
262K85.1Confident92.8Very high195 Ų19528.7 Ų28.785%0.84815%0.149SC*.THydrogen-bonded Turntrans-80.4-33.9-180-63.6-177.5178.4-177.80112.6D260D260-K262 PolarHBondContact O-N 2.86Å; D260-K262 WeakPolarHBondContact OD1-CB 3.45Å; D260-K262 PolarHBondContact OD1-N 3.22Å
263T85.1Confident92.8Very high69 Ų6928.7 Ų28.742%0.42315%0.149SC..THydrogen-bonded Turntrans-98.7-23-176.157.40000112.6R134 D260 P265R134-T263 PolarHBondContact NH2-OG1 3.27Å; D260-T263 WeakPolarHBondContact CB-OG1 3.4Å; D260-T263 PolarHBondContact O-N 3.4Å; D260-T263 VanDerWaalsContact O-N 3.14Å; D260-T263 PolarHBondContact O-OG1 3.06Å; T263-P265 WeakPolarHBondContact O-CD 3.42Å
264D88.5Confident92.8Very high1 Ų128.6 Ų28.61%0.00515%0.148CC..  trans-120.149.7-170-78.2-24.9000114.8R134 D260 V266 R267 L268R134-D264 WeakPolarHBondContact CB-OD1 3.46Å; R134-D264 WeakPolarHBondContact CD-OD1 3.35Å; R134-D264 VanDerWaalsContact CG-OD1 3.28Å; R134-D264 WeakPolarHBondContact CG-OD1 3.32Å; R134-D264 IonicContact CZ-OD1 3.37Å; R134-D264 IonicContact CZ-OD2 3.92Å; R134-D264 VanDerWaalsContact NE-CG 3.31Å; R134-D264 IonicContact NE-OD1 3.58Å; R134-D264 PolarHBondContact NE-OD1 3.08Å; R134-D264 IonicContact NE-OD2 2.68Å; R134-D264 PolarHBondContact NE-OD2 2.92Å; R134-D264 IonicContact NH2-OD1 3.22Å; R134-D264 IonicContact NH2-OD2 2.85Å; R134-D264 PolarHBondContact NH2-OD2 2.71Å; D260-D264 WeakPolarHBondContact O-CB 3.37Å; D260-D264 PolarHBondContact O-N 3.35Å; D264-V266 VanDerWaalsContact C-N 3.32Å; D264-V266 PolarHBondContact O-N 3.44Å; D264-R267 HydrophobicContact CB-CB 4.06Å; D264-R267 PolarHBondContact O-N 2.84Å; D264-R267 IonicContact OD2-CZ 2.88Å; D264-R267 IonicContact OD2-NH1 2.95Å; D264-R267 PolarHBondContact OD2-NH1 3.26Å; D264-L268 WeakPolarHBondContact O-CB 3.26Å; D264-L268 PolarHBondContact O-N 2.86Å
265P92.1Very high93Very high41 Ų4127.3 Ų27.327%0.26614%0.144SC..Hα-helixtrans-60.8-39.2-176.525-34000113T263 T269T263-P265 WeakPolarHBondContact O-CD 3.42Å; P265-T269 VanDerWaalsContact O-CB 3.3Å; P265-T269 WeakPolarHBondContact O-CB 3.46Å; P265-T269 PolarHBondContact O-N 2.95Å; P265-T269 VanDerWaalsContact O-N 3.16Å; P265-T269 PolarHBondContact O-OG1 2.93Å
266V96.3Very high93.2Very high0 Ų025.6 Ų25.60%013%0.131CC..Hα-helixtrans-71.3-51177.7178.40000111.2L131 I133 Y195 L198 D264 L268 T269 Q270L131-V266 WeakPolarHBondContact O-CG1 3.49Å; I133-V266 HydrophobicContact CD1-CG1 4.31Å; I133-V266 HydrophobicContact CG1-CG1 3.81Å; Y195-V266 HydrophobicContact CD2-CG2 4.22Å; Y195-V266 HydrophobicContact CE2-CG2 3.7Å; L198-V266 HydrophobicContact CB-CG1 3.86Å; L198-V266 HydrophobicContact CB-CG2 4.14Å; D264-V266 VanDerWaalsContact C-N 3.32Å; D264-V266 PolarHBondContact O-N 3.44Å; V266-L268 PolarHBondContact O-N 2.82Å; V266-T269 PolarHBondContact O-N 3.42Å; V266-Q270 HydrophobicContact CG1-CG 4.1Å; V266-Q270 WeakPolarHBondContact O-CG 3.33Å; V266-Q270 PolarHBondContact O-N 3.46Å
267R96.6Very high93.4Very high0 Ų025.1 Ų25.10%013%0.128CC..Hα-helixtrans-59.8-44.7-179.6175.3-175.3174.7-135.11.2111.5I133 R134 H135 E138 F251 F257 D258 L259 D264 T269 Q270 L271I133-R267 HydrophobicContact CG2-CB 4.06Å; I133-R267 HydrophobicContact CG2-CG 4.16Å; R134-R267 WeakPolarHBondContact O-CD 3.36Å; H135-R267 PolarHBondContact CD2-NH1 2.88Å; E138-R267 IonicContact OE1-CZ 3.33Å; E138-R267 IonicContact OE1-NH2 2.67Å; E138-R267 PolarHBondContact OE1-NH2 3.34Å; E138-R267 IonicContact OE2-CZ 3.26Å; E138-R267 IonicContact OE2-NE 3.51Å; E138-R267 PolarHBondContact OE2-NE 3.26Å; E138-R267 IonicContact OE2-NH2 2.82Å; E138-R267 PolarHBondContact OE2-NH2 3.02Å; F251-R267 HydrophobicContact CE1-CG 4.23Å; F251-R267 HydrophobicContact CZ-CG 4.12Å; F257-R267 VanDerWaalsContact O-CZ 3.31Å; F257-R267 PolarHBondContact O-NH1 2.82Å; F257-R267 PolarHBondContact O-NH2 3.22Å; D258-R267 PolarHBondContact O-NH1 2.99Å; L259-R267 HydrophobicContact CD1-CG 4.26Å; D264-R267 HydrophobicContact CB-CB 4.06Å; D264-R267 PolarHBondContact O-N 2.84Å; D264-R267 IonicContact OD2-CZ 2.88Å; D264-R267 IonicContact OD2-NH1 2.95Å; D264-R267 PolarHBondContact OD2-NH1 3.26Å; R267-T269 PolarHBondContact O-N 3.12Å; R267-Q270 PolarHBondContact O-N 3.39Å; R267-L271 VanDerWaalsContact O-CB 3.29Å; R267-L271 WeakPolarHBondContact O-CB 3.36Å; R267-L271 PolarHBondContact O-N 3.17Å
268L97.6Very high93.8Very high1 Ų123.8 Ų23.81%0.00512%0.123CC..Hα-helixtrans-58.8-47.5176179.865.5000111.3L259 P261 D264 V266 L271 Y272 A533 Q536 L537 I540L259-L268 HydrophobicContact CD1-CD1 4.41Å; L259-L268 HydrophobicContact CD2-CD1 3.93Å; L259-L268 HydrophobicContact CG-CD1 4.16Å; P261-L268 HydrophobicContact CB-CD2 3.8Å; P261-L268 HydrophobicContact CG-CD2 4.18Å; D264-L268 WeakPolarHBondContact O-CB 3.26Å; D264-L268 PolarHBondContact O-N 2.86Å; V266-L268 PolarHBondContact O-N 2.82Å; L268-L271 PolarHBondContact O-N 3.08Å; L268-Y272 WeakPolarHBondContact O-CB 3.32Å; L268-Y272 PolarHBondContact O-N 3.2Å; L268-A533 HydrophobicContact CD2-CB 4.13Å; L268-Q536 HydrophobicContact CD1-CB 4.37Å; L268-Q536 HydrophobicContact CD2-CB 4.18Å; L268-Q536 HydrophobicContact CG-CB 4.09Å; L268-L537 HydrophobicContact CD1-CD1 4.38Å; L268-I540 HydrophobicContact CD1-CD1 3.55Å
269T98.2Very high94.3Very high2 Ų221.5 Ų21.51%0.01211%0.11CC..Hα-helixtrans-65.2-45.6-179.5-64.30000112S199 P201 P265 V266 R267 L271 Y272 E273 Q536S199-T269 PolarHBondContact O-OG1 3.36Å; P201-T269 HydrophobicContact CG-CG2 4.47Å; P265-T269 VanDerWaalsContact O-CB 3.3Å; P265-T269 WeakPolarHBondContact O-CB 3.46Å; P265-T269 PolarHBondContact O-N 2.95Å; P265-T269 VanDerWaalsContact O-N 3.16Å; P265-T269 PolarHBondContact O-OG1 2.93Å; V266-T269 PolarHBondContact O-N 3.42Å; R267-T269 PolarHBondContact O-N 3.12Å; T269-L271 VanDerWaalsContact C-N 3.32Å; T269-L271 PolarHBondContact O-N 2.8Å; T269-Y272 PolarHBondContact O-N 2.95Å; T269-E273 HydrophobicContact CG2-CG 4.42Å; T269-E273 WeakPolarHBondContact O-CB 3.36Å; T269-E273 VanDerWaalsContact O-CG 3.27Å; T269-E273 WeakPolarHBondContact O-CG 3.41Å; T269-E273 PolarHBondContact O-N 3.39Å; T269-Q536 PolarHBondContact OG1-NE2 2.74Å
270Q98.4Very high94.6Very high1 Ų119.9 Ų19.91%0.00510%0.102CC..Hα-helixtrans-65.7-35.1178.3-64.9-56.8-44.200112.1P105 N106 L198 F251 V266 R267 E273 Q274P105-Q270 HydrophobicContact CB-CB 4.49Å; P105-Q270 WeakPolarHBondContact CB-O 3.13Å; P105-Q270 HydrophobicContact CG-CB 4.29Å; N106-Q270 PolarHBondContact ND2-NE2 3.22Å; L198-Q270 PolarHBondContact O-NE2 2.9Å; F251-Q270 HydrophobicContact CE2-CB 4.12Å; V266-Q270 HydrophobicContact CG1-CG 4.1Å; V266-Q270 WeakPolarHBondContact O-CG 3.33Å; V266-Q270 PolarHBondContact O-N 3.46Å; R267-Q270 PolarHBondContact O-N 3.39Å; Q270-E273 PolarHBondContact O-N 2.98Å; Q270-Q274 PolarHBondContact O-N 3.08Å
271L98.6Very high94.9Very high0 Ų018.9 Ų18.90%010%0.096CC..Hα-helixtrans-68.9-45175.6-178.156.5000111.8F251 F256 L259 R267 L268 T269 E273 Q274 A275 I540 W543F251-L271 HydrophobicContact CB-CD1 4.48Å; F251-L271 HydrophobicContact CD1-CD1 4.08Å; F251-L271 HydrophobicContact CD2-CB 4.45Å; F251-L271 HydrophobicContact CD2-CD1 3.94Å; F251-L271 HydrophobicContact CE1-CB 4.31Å; F251-L271 HydrophobicContact CE1-CD1 4.28Å; F251-L271 HydrophobicContact CE2-CB 3.83Å; F251-L271 HydrophobicContact CE2-CD1 4.16Å; F251-L271 HydrophobicContact CG-CD1 3.91Å; F251-L271 HydrophobicContact CZ-CB 3.74Å; F251-L271 HydrophobicContact CZ-CD1 4.32Å; F256-L271 HydrophobicContact CB-CD2 4.48Å; F256-L271 HydrophobicContact CD1-CD1 4.36Å; F256-L271 HydrophobicContact CD1-CD2 4.07Å; F256-L271 HydrophobicContact CD2-CD1 4.44Å; F256-L271 HydrophobicContact CD2-CD2 3.73Å; F256-L271 HydrophobicContact CE1-CD1 3.75Å; F256-L271 HydrophobicContact CE1-CD2 4.27Å; F256-L271 HydrophobicContact CE2-CD1 3.86Å; F256-L271 HydrophobicContact CE2-CD2 3.96Å; F256-L271 HydrophobicContact CE2-CG 4.47Å; F256-L271 HydrophobicContact CG-CD2 3.81Å; F256-L271 HydrophobicContact CZ-CD1 3.49Å; F256-L271 VanDerWaalsContact CZ-CD1 3.49Å; F256-L271 HydrophobicContact CZ-CD2 4.24Å; F256-L271 HydrophobicContact CZ-CG 4.49Å; L259-L271 HydrophobicContact CD1-CD2 4.34Å; L259-L271 HydrophobicContact CD2-CD2 3.84Å; R267-L271 VanDerWaalsContact O-CB 3.29Å; R267-L271 WeakPolarHBondContact O-CB 3.36Å; R267-L271 PolarHBondContact O-N 3.17Å; L268-L271 PolarHBondContact O-N 3.08Å; T269-L271 VanDerWaalsContact C-N 3.32Å; T269-L271 PolarHBondContact O-N 2.8Å; L271-E273 VanDerWaalsContact C-N 3.31Å; L271-E273 PolarHBondContact O-N 2.88Å; L271-Q274 PolarHBondContact O-N 3.16Å; L271-A275 PolarHBondContact O-N 3.31Å; L271-I540 HydrophobicContact CB-CD1 4.15Å; L271-I540 HydrophobicContact CD2-CD1 4Å; L271-I540 HydrophobicContact CD2-CG2 4.1Å; L271-I540 HydrophobicContact CG-CD1 3.9Å; L271-I540 HydrophobicContact CG-CG1 4.27Å; L271-I540 HydrophobicContact CG-CG2 4.42Å; L271-W543 HydrophobicContact CD1-CZ3 4.01Å
272Y98.5Very high95.3Very high1 Ų118.3 Ų18.30%0.0049%0.091CC..Hα-helixtrans-56.6-46.1172155.7-101.4000111.2P201 L268 T269 Q274 A275 R276 I301 Q536 F539P201-Y272 HydrophobicContact CB-CE1 4Å; P201-Y272 HydrophobicContact CG-CE1 4.28Å; L268-Y272 WeakPolarHBondContact O-CB 3.32Å; L268-Y272 PolarHBondContact O-N 3.2Å; T269-Y272 PolarHBondContact O-N 2.95Å; Y272-Q274 PolarHBondContact O-N 3.38Å; Y272-A275 PolarHBondContact O-N 2.85Å; Y272-R276 HydrophobicContact CE2-CB 4.47Å; Y272-R276 WeakPolarHBondContact O-CB 3.27Å; Y272-R276 PolarHBondContact O-N 2.75Å; Y272-R276 WeakPolarHBondContact OH-CD 3.31Å; Y272-I301 HydrophobicContact CD2-CD1 4.05Å; Y272-I301 HydrophobicContact CE1-CG2 4.18Å; Y272-I301 HydrophobicContact CE2-CD1 3.46Å; Y272-I301 VanDerWaalsContact CE2-CD1 3.46Å; Y272-Q536 HydrophobicContact CD1-CG 4.29Å; Y272-Q536 HydrophobicContact CD2-CG 4.46Å; Y272-Q536 HydrophobicContact CG-CB 4.41Å; Y272-Q536 HydrophobicContact CG-CG 4.07Å; Y272-F539 HydrophobicContact CD2-CB 3.95Å; Y272-F539 AromaticContact CD2-CD1 3.66Å; Y272-F539 HydrophobicContact CD2-CD1 3.66Å; Y272-F539 HydrophobicContact CD2-CD2 4.27Å; Y272-F539 HydrophobicContact CD2-CE1 4.23Å; Y272-F539 AromaticContact CD2-CG 3.7Å; Y272-F539 HydrophobicContact CD2-CG 3.7Å; Y272-F539 HydrophobicContact CE2-CB 4.25Å; Y272-F539 AromaticContact CE2-CD1 3.99Å; Y272-F539 HydrophobicContact CE2-CD1 3.99Å; Y272-F539 AromaticContact CE2-CD2 3.84Å; Y272-F539 HydrophobicContact CE2-CD2 3.84Å; Y272-F539 HydrophobicContact CE2-CE1 4.31Å; Y272-F539 HydrophobicContact CE2-CE2 4.18Å; Y272-F539 AromaticContact CE2-CG 3.75Å; Y272-F539 HydrophobicContact CE2-CG 3.75Å; Y272-F539 HydrophobicContact CE2-CZ 4.4Å
273E98.3Very high95.6Very high0 Ų011.4 Ų11.40%06%0.062CC..Hα-helixtrans-63.2-41.4178.7-77.9-70.516800112N106 Q202 T269 Q270 L271 R276 W277N106-E273 HydrophobicContact CB-CB 3.85Å; N106-E273 HydrophobicContact CB-CG 3.67Å; Q202-E273 PolarHBondContact N-OE1 3.23Å; T269-E273 HydrophobicContact CG2-CG 4.42Å; T269-E273 WeakPolarHBondContact O-CB 3.36Å; T269-E273 VanDerWaalsContact O-CG 3.27Å; T269-E273 WeakPolarHBondContact O-CG 3.41Å; T269-E273 PolarHBondContact O-N 3.39Å; Q270-E273 PolarHBondContact O-N 2.98Å; L271-E273 VanDerWaalsContact C-N 3.31Å; L271-E273 PolarHBondContact O-N 2.88Å; E273-R276 PolarHBondContact O-N 2.7Å; E273-R276 IonicContact OE1-CZ 3.39Å; E273-R276 IonicContact OE1-NE 2.67Å; E273-R276 IonicContact OE1-NH2 2.71Å; E273-R276 PolarHBondContact OE1-NH2 3.2Å; E273-R276 IonicContact OE2-CZ 3.34Å; E273-R276 VanDerWaalsContact OE2-CZ 3.22Å; E273-R276 IonicContact OE2-NE 3.62Å; E273-R276 PolarHBondContact OE2-NE 2.83Å; E273-R276 VanDerWaalsContact OE2-NE 3.11Å; E273-R276 IonicContact OE2-NH2 2.63Å; E273-R276 PolarHBondContact OE2-NH2 3.24Å; E273-W277 PolarHBondContact O-N 3.05Å; E273-W277 PolarHBondContact OE2-NE1 2.95Å
274Q98.3Very high95.9Very high0 Ų08.9 Ų8.90%05%0.045CC..Hα-helixtrans-59.1-50.7173.5-166.5166-67.100111.2P105 F251 Q270 L271 Y272 R276 W277 D278P105-Q274 HydrophobicContact CB-CB 3.93Å; F251-Q274 PolarHBondContact O-NE2 3.11Å; F251-Q274 VanDerWaalsContact O-NE2 3.14Å; Q270-Q274 PolarHBondContact O-N 3.08Å; L271-Q274 PolarHBondContact O-N 3.16Å; Y272-Q274 PolarHBondContact O-N 3.38Å; Q274-R276 VanDerWaalsContact C-N 3.32Å; Q274-R276 PolarHBondContact O-N 3.39Å; Q274-W277 PolarHBondContact O-N 3.42Å; Q274-D278 WeakPolarHBondContact O-CB 3.44Å; Q274-D278 PolarHBondContact O-N 3.37Å
275A98.3Very high96Very high0 Ų011.6 Ų11.60%06%0.06CC..Hα-helixtrans-59.8-42.8179.500000111.8L271 Y272 D278 L279 F539 W543L271-A275 PolarHBondContact O-N 3.31Å; Y272-A275 PolarHBondContact O-N 2.85Å; A275-D278 PolarHBondContact O-N 3.46Å; A275-L279 WeakPolarHBondContact O-CG 3.41Å; A275-L279 PolarHBondContact O-N 2.86Å; A275-F539 HydrophobicContact CB-CD1 4.22Å; A275-F539 HydrophobicContact CB-CE1 3.88Å; A275-W543 HydrophobicContact CB-CB 4.28Å; A275-W543 HydrophobicContact CB-CD2 3.43Å; A275-W543 VanDerWaalsContact CB-CD2 3.43Å; A275-W543 HydrophobicContact CB-CE3 3.56Å; A275-W543 HydrophobicContact CB-CG 3.77Å; A275-W543 HydrophobicContact CB-CH2 4.25Å; A275-W543 HydrophobicContact CB-CZ2 4.15Å; A275-W543 HydrophobicContact CB-CZ3 3.96Å
276R97.9Very high95.9Very high3 Ų310.3 Ų10.31%0.0115%0.051CC..Hα-helixtrans-59.1-49.2176.4-178.9176.677151.90.4111.2Q202 Y272 E273 Q274 L279 L280 Q298 F539Q202-R276 PolarHBondContact O-NH1 2.87Å; Q202-R276 PolarHBondContact O-NH2 2.94Å; Y272-R276 HydrophobicContact CE2-CB 4.47Å; Y272-R276 WeakPolarHBondContact O-CB 3.27Å; Y272-R276 PolarHBondContact O-N 2.75Å; Y272-R276 WeakPolarHBondContact OH-CD 3.31Å; E273-R276 PolarHBondContact O-N 2.7Å; E273-R276 IonicContact OE1-CZ 3.39Å; E273-R276 IonicContact OE1-NE 2.67Å; E273-R276 IonicContact OE1-NH2 2.71Å; E273-R276 PolarHBondContact OE1-NH2 3.2Å; E273-R276 IonicContact OE2-CZ 3.34Å; E273-R276 VanDerWaalsContact OE2-CZ 3.22Å; E273-R276 IonicContact OE2-NE 3.62Å; E273-R276 PolarHBondContact OE2-NE 2.83Å; E273-R276 VanDerWaalsContact OE2-NE 3.11Å; E273-R276 IonicContact OE2-NH2 2.63Å; E273-R276 PolarHBondContact OE2-NH2 3.24Å; Q274-R276 VanDerWaalsContact C-N 3.32Å; Q274-R276 PolarHBondContact O-N 3.39Å; R276-L279 PolarHBondContact O-N 3.47Å; R276-L280 HydrophobicContact CG-CD1 3.89Å; R276-L280 HydrophobicContact CG-CG 4.35Å; R276-L280 WeakPolarHBondContact O-CB 3.15Å; R276-L280 VanDerWaalsContact O-CG 3.31Å; R276-L280 WeakPolarHBondContact O-CG 3.34Å; R276-L280 PolarHBondContact O-N 3.18Å; R276-Q298 HydrophobicContact CG-CG 4.26Å; R276-F539 HydrophobicContact CB-CE1 4.28Å; R276-F539 HydrophobicContact CB-CZ 4.13Å
277W97.1Very high95.8Very high22 Ų2213.8 Ų13.88%0.0837%0.073CC..Hα-helixtrans-69.1-37.5-179.5-77.8115000113R107 P205 L210 L213 E273 Q274 L279 L280 L281R107-W277 HydrophobicContact CG-CD2 4.09Å; R107-W277 HydrophobicContact CG-CG 4.09Å; R107-W277 HydrophobicContact CG-CZ2 4.25Å; P205-W277 HydrophobicContact CB-CH2 3.63Å; P205-W277 HydrophobicContact CB-CZ2 4.38Å; P205-W277 HydrophobicContact CB-CZ3 4.29Å; P205-W277 HydrophobicContact CG-CH2 3.87Å; P205-W277 HydrophobicContact CG-CZ3 4.16Å; L210-W277 HydrophobicContact CD1-CZ3 4Å; L213-W277 HydrophobicContact CD1-CZ3 4.21Å; E273-W277 PolarHBondContact O-N 3.05Å; E273-W277 PolarHBondContact OE2-NE1 2.95Å; Q274-W277 PolarHBondContact O-N 3.42Å; W277-L279 VanDerWaalsContact C-N 3.26Å; W277-L279 PolarHBondContact O-N 2.89Å; W277-L280 PolarHBondContact O-N 2.98Å; W277-L281 HydrophobicContact CE3-CD1 4.18Å; W277-L281 HydrophobicContact CE3-CG 4.17Å; W277-L281 VanDerWaalsContact O-CB 3.23Å; W277-L281 WeakPolarHBondContact O-CB 3.28Å; W277-L281 VanDerWaalsContact O-CG 3.28Å; W277-L281 WeakPolarHBondContact O-CG 3.5Å; W277-L281 PolarHBondContact O-N 3.3Å
278D96Very high95.5Very high8 Ų815.9 Ų15.94%0.0438%0.082CC..Hα-helixtrans-62.2-36.3175.4-69.9-10.5000110.9R250 Q274 A275 E282 E283 I284R250-D278 IonicContact CZ-OD1 3.91Å; R250-D278 IonicContact NH1-OD1 3.81Å; R250-D278 IonicContact NH2-OD1 3.83Å; R250-D278 PolarHBondContact NH2-OD1 2.9Å; R250-D278 IonicContact NH2-OD2 2.8Å; Q274-D278 WeakPolarHBondContact O-CB 3.44Å; Q274-D278 PolarHBondContact O-N 3.37Å; A275-D278 PolarHBondContact O-N 3.46Å; D278-E282 PolarHBondContact O-N 3.42Å; D278-E283 HydrophobicContact CB-CB 4.08Å; D278-E283 WeakPolarHBondContact O-CB 3.36Å; D278-E283 PolarHBondContact O-N 3.43Å; D278-I284 HydrophobicContact CB-CG2 4.1Å; D278-I284 PolarHBondContact O-N 3.1Å
279L96.6Very high95.1Very high3 Ų320.1 Ų20.12%0.01610%0.102CC..Hα-helixtrans-72.4-48.6174.1-76.7166.1000113.1A275 R276 W277 L281 E282 I284 C286 F294 F539 L546A275-L279 WeakPolarHBondContact O-CG 3.41Å; A275-L279 PolarHBondContact O-N 2.86Å; R276-L279 PolarHBondContact O-N 3.47Å; W277-L279 VanDerWaalsContact C-N 3.26Å; W277-L279 PolarHBondContact O-N 2.89Å; L279-L281 VanDerWaalsContact C-N 3.26Å; L279-L281 PolarHBondContact O-N 3.38Å; L279-E282 PolarHBondContact O-N 3.45Å; L279-I284 HydrophobicContact CD2-CG2 3.74Å; L279-I284 HydrophobicContact CG-CG2 3.93Å; L279-C286 HydrophobicContact CD2-CB 4.22Å; L279-F294 HydrophobicContact CD1-CD1 3.73Å; L279-F294 HydrophobicContact CD1-CD2 3.85Å; L279-F294 HydrophobicContact CD1-CE1 3.74Å; L279-F294 HydrophobicContact CD1-CE2 3.87Å; L279-F294 HydrophobicContact CD1-CG 3.8Å; L279-F294 HydrophobicContact CD1-CZ 3.82Å; L279-F294 HydrophobicContact CD2-CD2 4.28Å; L279-F294 HydrophobicContact CD2-CE2 4.02Å; L279-F294 HydrophobicContact CD2-CZ 4.49Å; L279-F539 HydrophobicContact CD1-CE1 3.8Å; L279-F539 HydrophobicContact CD1-CZ 3.58Å; L279-L546 HydrophobicContact CD2-CD1 3.81Å
280L95.8Very high94.9Very high0 Ų022.3 Ų22.30%011%0.113CC..Hα-helixtrans-66.6-29.4-177.9-69.9178.9000112.4P205 L210 R276 W277 P505P205-L280 HydrophobicContact CG-CD1 4Å; L210-L280 HydrophobicContact CD1-CB 4.05Å; L210-L280 HydrophobicContact CD2-CB 4.46Å; L210-L280 HydrophobicContact CD2-CD2 4.4Å; R276-L280 HydrophobicContact CG-CD1 3.89Å; R276-L280 HydrophobicContact CG-CG 4.35Å; R276-L280 WeakPolarHBondContact O-CB 3.15Å; R276-L280 VanDerWaalsContact O-CG 3.31Å; R276-L280 WeakPolarHBondContact O-CG 3.34Å; R276-L280 PolarHBondContact O-N 3.18Å; W277-L280 PolarHBondContact O-N 2.98Å; L280-P505 WeakPolarHBondContact O-CD 3.32Å
281L94.4Very high94.8Very high12 Ų1222.3 Ų22.36%0.06311%0.113CC..THydrogen-bonded Turntrans-94.24.8177.3-60.7175000113.6L210 L213 R215 P216 W277 L279 E283L210-L281 HydrophobicContact CD1-CD2 3.95Å; L213-L281 HydrophobicContact CB-CD2 3.82Å; L213-L281 HydrophobicContact CD1-CD2 4.29Å; R215-L281 WeakPolarHBondContact CB-O 3.5Å; R215-L281 HydrophobicContact CG-CB 4.27Å; R215-L281 HydrophobicContact CG-CD2 4.18Å; R215-L281 VanDerWaalsContact CG-O 3.25Å; R215-L281 WeakPolarHBondContact CG-O 3.42Å; P216-L281 WeakPolarHBondContact CD-O 3.45Å; W277-L281 HydrophobicContact CE3-CD1 4.18Å; W277-L281 HydrophobicContact CE3-CG 4.17Å; W277-L281 VanDerWaalsContact O-CB 3.23Å; W277-L281 WeakPolarHBondContact O-CB 3.28Å; W277-L281 VanDerWaalsContact O-CG 3.28Å; W277-L281 WeakPolarHBondContact O-CG 3.5Å; W277-L281 PolarHBondContact O-N 3.3Å; L279-L281 VanDerWaalsContact C-N 3.26Å; L279-L281 PolarHBondContact O-N 3.38Å; L281-E283 HydrophobicContact CB-CG 4.42Å; L281-E283 PolarHBondContact O-N 3.43Å
282E93.2Very high94.6Very high26 Ų2622.5 Ų22.512%0.12111%0.114CC..THydrogen-bonded Turntrans61.527.4175.9-54.9164.317400112.6R215 D278 L279 I284 A504 R506R215-E282 IonicContact CZ-OE2 3.31Å; R215-E282 IonicContact NH1-OE1 2.73Å; R215-E282 PolarHBondContact NH1-OE1 2.83Å; R215-E282 IonicContact NH1-OE2 3.76Å; R215-E282 PolarHBondContact NH1-OE2 3.03Å; D278-E282 PolarHBondContact O-N 3.42Å; L279-E282 PolarHBondContact O-N 3.45Å; E282-I284 VanDerWaalsContact C-N 3.3Å; E282-A504 HydrophobicContact CG-CB 3.85Å; E282-R506 WeakPolarHBondContact OE1-CB 3.39Å; E282-R506 WeakPolarHBondContact OE1-CG 3.39Å; E282-R506 PolarHBondContact OE1-N 3.08Å
283E91.9Very high94.4Very high50 Ų5025.6 Ų25.623%0.23413%0.132CC..SBendtrans-67-38.7167.4-65.6-67.5165.900109.8P216 K222 D278 L281P216-E283 WeakPolarHBondContact CD-OE1 3.29Å; K222-E283 WeakPolarHBondContact CE-O 3.11Å; K222-E283 PolarHBondContact NZ-O 3.2Å; D278-E283 HydrophobicContact CB-CB 4.08Å; D278-E283 WeakPolarHBondContact O-CB 3.36Å; D278-E283 PolarHBondContact O-N 3.43Å; L281-E283 HydrophobicContact CB-CG 4.42Å; L281-E283 PolarHBondContact O-N 3.43Å
284I91.8Very high94.4Very high15 Ų1525.7 Ų25.78%0.07713%0.133CC..SBendtrans-120.8132169.8-168.3168.6000110.5D278 L279 E282 L546 F549D278-I284 HydrophobicContact CB-CG2 4.1Å; D278-I284 PolarHBondContact O-N 3.1Å; L279-I284 HydrophobicContact CD2-CG2 3.74Å; L279-I284 HydrophobicContact CG-CG2 3.93Å; E282-I284 VanDerWaalsContact C-N 3.3Å; I284-L546 HydrophobicContact CD1-CB 3.96Å; I284-L546 HydrophobicContact CD1-CD1 3.83Å; I284-L546 HydrophobicContact CG1-CD1 4.05Å; I284-L546 HydrophobicContact CG2-CD1 4.46Å; I284-F549 HydrophobicContact CD1-CB 4.29Å
285D89.5Confident94.4Very high58 Ų5825.7 Ų25.731%0.3113%0.133SC..  trans-89.3146.7-179.5-72.8-71.6000111.3K222 R506K222-D285 IonicContact NZ-OD2 3.34Å; K222-D285 PolarHBondContact NZ-OD2 3.18Å; D285-R506 IonicContact OD1-CZ 2.72Å; D285-R506 IonicContact OD1-NH1 3.13Å; D285-R506 PolarHBondContact OD1-NH1 3.22Å; D285-R506 IonicContact OD1-NH2 2.73Å
286C91.9Very high94.2Very high14 Ų1425.8 Ų25.810%0.09513%0.133CC..  trans-135.7168.4170.165.90000111.3L279 E290 F294 R506 L546L279-C286 HydrophobicContact CD2-CB 4.22Å; C286-E290 HydrophobicContact CB-CB 4.01Å; C286-F294 HydrophobicContact CB-CE2 4.11Å; C286-R506 PolarHBondContact O-NH2 3.26Å; C286-L546 HydrophobicContact CB-CD1 4.19Å; C286-L546 HydrophobicContact CB-CD2 3.63Å
287T92.7Very high94.2Very high73 Ų7325.8 Ų25.845%0.44813%0.133SC..  trans-74.7168.7173.365.50000111.4E290 M291T287-E290 WeakPolarHBondContact CB-OE2 3.47Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.41Å; T287-E290 PolarHBondContact N-OE2 3.33Å; T287-E290 WeakPolarHBondContact OG1-CB 3.22Å; T287-E290 VanDerWaalsContact OG1-CG 3.22Å; T287-E290 WeakPolarHBondContact OG1-CG 3.28Å; T287-E290 PolarHBondContact OG1-N 3.37Å; T287-E290 PolarHBondContact OG1-OE2 3.13Å; T287-M291 WeakPolarHBondContact O-CB 3.4Å; T287-M291 PolarHBondContact O-N 3.06Å
288E91.2Very high94.2Very high44 Ų4424.8 Ų24.821%0.20613%0.13CC..Hα-helixtrans-62.3-43.3177.6-173.8176133.900112.7M291 M292 F507 K510 F511 R519E288-M291 PolarHBondContact O-N 2.78Å; E288-M292 WeakPolarHBondContact O-CG 3.34Å; E288-M292 PolarHBondContact O-N 3.48Å; E288-M292 VanDerWaalsContact O-N 3.14Å; E288-F507 HydrophobicContact CB-CE1 4.09Å; E288-F507 HydrophobicContact CG-CE1 4.32Å; E288-K510 IonicContact OE2-NZ 2.69Å; E288-K510 PolarHBondContact OE2-NZ 2.63Å; E288-F511 HydrophobicContact CG-CE2 3.89Å; E288-F511 HydrophobicContact CG-CZ 4.22Å; E288-F511 WeakPolarHBondContact OE1-CZ 3.32Å; E288-F511 WeakPolarHBondContact OE2-CE2 3.26Å; E288-F511 WeakPolarHBondContact OE2-CZ 3.5Å; E288-R519 IonicContact OE1-CZ 2.76Å; E288-R519 IonicContact OE1-NH1 3.99Å; E288-R519 PolarHBondContact OE1-NH1 3.08Å; E288-R519 IonicContact OE1-NH2 3.88Å; E288-R519 PolarHBondContact OE1-NH2 2.92Å
289E89.5Confident94.1Very high91 Ų9127.1 Ų27.143%0.42514%0.138SC..Hα-helixtrans-67.5-42.2179.4-60.5-54.8140.500111.5M291 M292 V293 L366 R519E289-M291 VanDerWaalsContact C-N 3.31Å; E289-M291 PolarHBondContact O-N 2.53Å; E289-M292 PolarHBondContact O-N 3.39Å; E289-M292 VanDerWaalsContact O-N 3.16Å; E289-V293 PolarHBondContact O-N 3.21Å; E289-L366 HydrophobicContact CB-CD1 3.58Å; E289-L366 HydrophobicContact CG-CD1 4.04Å; E289-R519 IonicContact OE1-NH2 2.68Å; E289-R519 PolarHBondContact OE1-NH2 2.83Å
290E93Very high94Very high48 Ų4827.4 Ų27.422%0.22414%0.139CC..Hα-helixtrans-60.2-41.7173.7-72.8161.1168.100111.4C286 T287 M292 V293 F294C286-E290 HydrophobicContact CB-CB 4.01Å; T287-E290 WeakPolarHBondContact CB-OE2 3.47Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.41Å; T287-E290 PolarHBondContact N-OE2 3.33Å; T287-E290 WeakPolarHBondContact OG1-CB 3.22Å; T287-E290 VanDerWaalsContact OG1-CG 3.22Å; T287-E290 WeakPolarHBondContact OG1-CG 3.28Å; T287-E290 PolarHBondContact OG1-N 3.37Å; T287-E290 PolarHBondContact OG1-OE2 3.13Å; E290-M292 VanDerWaalsContact C-N 3.3Å; E290-M292 PolarHBondContact O-N 3.01Å; E290-V293 PolarHBondContact O-N 3.25Å; E290-V293 VanDerWaalsContact O-N 3.16Å; E290-F294 HydrophobicContact CB-CD2 4.4Å; E290-F294 HydrophobicContact CB-CE2 4.13Å; E290-F294 WeakPolarHBondContact O-CD2 3.46Å; E290-F294 PolarHBondContact O-N 2.95Å
291M96.8Very high94Very high1 Ų127.4 Ų27.41%0.00514%0.139CC..Hα-helixtrans-61.4-36.3175.9-177.157.373.600112.5T287 E288 E289 V293 F294 A295 V503 A504 F507T287-M291 WeakPolarHBondContact O-CB 3.4Å; T287-M291 PolarHBondContact O-N 3.06Å; E288-M291 PolarHBondContact O-N 2.78Å; E289-M291 VanDerWaalsContact C-N 3.31Å; E289-M291 PolarHBondContact O-N 2.53Å; M291-V293 VanDerWaalsContact C-N 3.33Å; M291-F294 PolarHBondContact O-N 3.02Å; M291-A295 VanDerWaalsContact O-CB 3.3Å; M291-A295 WeakPolarHBondContact O-CB 3.49Å; M291-A295 PolarHBondContact O-N 2.64Å; M291-V503 HydrophobicContact CG-CB 4.05Å; M291-V503 HydrophobicContact CG-CG1 3.9Å; M291-V503 HydrophobicContact SD-CB 4.13Å; M291-V503 HydrophobicContact SD-CG1 4.21Å; M291-A504 HydrophobicContact CE-CB 3.75Å; M291-F507 HydrophobicContact CB-CD2 4.18Å; M291-F507 HydrophobicContact CB-CE1 4.49Å; M291-F507 HydrophobicContact CB-CE2 3.73Å; M291-F507 HydrophobicContact CB-CZ 3.9Å; M291-F507 HydrophobicContact CE-CD2 3.86Å; M291-F507 HydrophobicContact CE-CE2 3.54Å; M291-F507 HydrophobicContact CG-CD2 3.6Å; M291-F507 HydrophobicContact CG-CE2 3.62Å; M291-F507 HydrophobicContact CG-CG 4.19Å; M291-F507 HydrophobicContact CG-CZ 4.25Å; M291-F507 HydrophobicContact SD-CD2 4.4Å; M291-F507 HydrophobicContact SD-CE2 4.4Å
292M95.2Very high93.9Very high4 Ų428 Ų282%0.0214%0.143CC..Hα-helixtrans-65.1-39.5176.1-61.9-53.998.800111.2E288 E289 E290 A295 A296 V503 L516 R519 I520 A523E288-M292 WeakPolarHBondContact O-CG 3.34Å; E288-M292 PolarHBondContact O-N 3.48Å; E288-M292 VanDerWaalsContact O-N 3.14Å; E289-M292 PolarHBondContact O-N 3.39Å; E289-M292 VanDerWaalsContact O-N 3.16Å; E290-M292 VanDerWaalsContact C-N 3.3Å; E290-M292 PolarHBondContact O-N 3.01Å; M292-A295 PolarHBondContact O-N 3.11Å; M292-A296 WeakPolarHBondContact O-CB 3.48Å; M292-A296 PolarHBondContact O-N 3.04Å; M292-V503 HydrophobicContact CE-CG1 4.25Å; M292-L516 HydrophobicContact CE-CD2 3.93Å; M292-L516 HydrophobicContact SD-CD2 4.16Å; M292-R519 HydrophobicContact CG-CB 4.21Å; M292-R519 HydrophobicContact SD-CB 3.87Å; M292-I520 HydrophobicContact SD-CG1 4.19Å; M292-A523 HydrophobicContact CB-CB 4.49Å
293V94.3Very high93.8Very high65 Ų6532.2 Ų32.239%0.39416%0.161SC..Hα-helixtrans-65.4-44.8174.7179.10000111.2E289 E290 M291 A295 A296 L297E289-V293 PolarHBondContact O-N 3.21Å; E290-V293 PolarHBondContact O-N 3.25Å; E290-V293 VanDerWaalsContact O-N 3.16Å; M291-V293 VanDerWaalsContact C-N 3.33Å; V293-A295 VanDerWaalsContact C-N 3.34Å; V293-A295 PolarHBondContact O-N 3.17Å; V293-A296 PolarHBondContact O-N 3.48Å; V293-L297 HydrophobicContact CG1-CD1 4.17Å; V293-L297 WeakPolarHBondContact O-CG 3.46Å; V293-L297 PolarHBondContact O-N 3.02Å
294F98.2Very high93.8Very high3 Ų331.5 Ų31.51%0.01316%0.158CC..Hα-helixtrans-61.4-41.4175.5-72.7-56.6000112.3L279 C286 E290 M291 L297 Q298 F539 A542 W543 L546L279-F294 HydrophobicContact CD1-CD1 3.73Å; L279-F294 HydrophobicContact CD1-CD2 3.85Å; L279-F294 HydrophobicContact CD1-CE1 3.74Å; L279-F294 HydrophobicContact CD1-CE2 3.87Å; L279-F294 HydrophobicContact CD1-CG 3.8Å; L279-F294 HydrophobicContact CD1-CZ 3.82Å; L279-F294 HydrophobicContact CD2-CD2 4.28Å; L279-F294 HydrophobicContact CD2-CE2 4.02Å; L279-F294 HydrophobicContact CD2-CZ 4.49Å; C286-F294 HydrophobicContact CB-CE2 4.11Å; E290-F294 HydrophobicContact CB-CD2 4.4Å; E290-F294 HydrophobicContact CB-CE2 4.13Å; E290-F294 WeakPolarHBondContact O-CD2 3.46Å; E290-F294 PolarHBondContact O-N 2.95Å; M291-F294 PolarHBondContact O-N 3.02Å; F294-L297 PolarHBondContact O-N 3.34Å; F294-Q298 WeakPolarHBondContact O-CB 3.46Å; F294-Q298 VanDerWaalsContact O-CG 3.3Å; F294-Q298 WeakPolarHBondContact O-CG 3.28Å; F294-Q298 PolarHBondContact O-N 3.22Å; F294-Q298 PolarHBondContact O-NE2 2.9Å; F294-Q298 VanDerWaalsContact O-NE2 3.14Å; F294-F539 HydrophobicContact CB-CE2 3.81Å; F294-F539 HydrophobicContact CB-CZ 4.31Å; F294-F539 HydrophobicContact CD1-CD1 4.35Å; F294-F539 AromaticContact CD1-CD2 3.75Å; F294-F539 HydrophobicContact CD1-CD2 3.75Å; F294-F539 HydrophobicContact CD1-CE1 4.1Å; F294-F539 AromaticContact CD1-CE2 3.45Å; F294-F539 HydrophobicContact CD1-CE2 3.45Å; F294-F539 VanDerWaalsContact CD1-CE2 3.45Å; F294-F539 HydrophobicContact CD1-CG 4.19Å; F294-F539 AromaticContact CD1-CZ 3.64Å; F294-F539 HydrophobicContact CD1-CZ 3.64Å; F294-F539 HydrophobicContact CE1-CD1 4.48Å; F294-F539 HydrophobicContact CE1-CE1 4.35Å; F294-F539 HydrophobicContact CE1-CE2 4.41Å; F294-F539 HydrophobicContact CE1-CZ 4.32Å; F294-F539 HydrophobicContact CG-CE2 4.05Å; F294-F539 HydrophobicContact CG-CZ 4.26Å; F294-A542 HydrophobicContact CD1-CB 4.42Å; F294-A542 HydrophobicContact CE1-CB 3.57Å; F294-A542 HydrophobicContact CZ-CB 3.89Å; F294-W543 HydrophobicContact CE1-CB 4.19Å; F294-W543 HydrophobicContact CZ-CB 4.33Å; F294-L546 HydrophobicContact CE2-CD1 4.19Å; F294-L546 HydrophobicContact CE2-CD2 4.32Å; F294-L546 HydrophobicContact CZ-CD1 4.1Å; F294-L546 HydrophobicContact CZ-CG 4.43Å
295A96.9Very high93.7Very high0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-66.4-39.417700000112M291 M292 V293 Q298 Y299 L502 V503 I520M291-A295 VanDerWaalsContact O-CB 3.3Å; M291-A295 WeakPolarHBondContact O-CB 3.49Å; M291-A295 PolarHBondContact O-N 2.64Å; M292-A295 PolarHBondContact O-N 3.11Å; V293-A295 VanDerWaalsContact C-N 3.34Å; V293-A295 PolarHBondContact O-N 3.17Å; A295-Q298 PolarHBondContact O-N 2.86Å; A295-Y299 WeakPolarHBondContact O-CB 3.27Å; A295-Y299 PolarHBondContact O-N 3.36Å; A295-L502 HydrophobicContact CB-CB 3.87Å; A295-V503 HydrophobicContact CB-CG1 3.81Å; A295-I520 HydrophobicContact CB-CD1 3.86Å; A295-I520 HydrophobicContact CB-CG1 3.85Å; A295-I520 HydrophobicContact CB-CG2 4.32Å
296A95.4Very high93.4Very high1 Ų135.9 Ų35.91%0.00818%0.18CC..Hα-helixtrans-64.6-42.7175.700000112.5M292 V293 Y299 H300 I520 A523 H524 V527M292-A296 WeakPolarHBondContact O-CB 3.48Å; M292-A296 PolarHBondContact O-N 3.04Å; V293-A296 PolarHBondContact O-N 3.48Å; A296-Y299 PolarHBondContact O-N 3.47Å; A296-H300 WeakPolarHBondContact O-CB 3.21Å; A296-H300 PolarHBondContact O-N 3.1Å; A296-I520 HydrophobicContact CB-CG2 4.37Å; A296-A523 HydrophobicContact CB-CB 3.76Å; A296-H524 HydrophobicContact CB-CB 4.16Å; A296-V527 HydrophobicContact CB-CG2 4.41Å
297L97.1Very high92.5Very high3 Ų338.4 Ų38.42%0.01620%0.197CC..Hα-helixtrans-63.6-46.1174-76.7167.4000111.5V293 F294 Y299 H300 I301 V527 L530 A535 R538 F539V293-L297 HydrophobicContact CG1-CD1 4.17Å; V293-L297 WeakPolarHBondContact O-CG 3.46Å; V293-L297 PolarHBondContact O-N 3.02Å; F294-L297 PolarHBondContact O-N 3.34Å; L297-Y299 VanDerWaalsContact C-N 3.31Å; L297-Y299 PolarHBondContact O-N 3.19Å; L297-H300 PolarHBondContact O-N 2.81Å; L297-I301 WeakPolarHBondContact O-CB 3.44Å; L297-I301 WeakPolarHBondContact O-CD1 3.38Å; L297-I301 WeakPolarHBondContact O-CG1 3.49Å; L297-I301 PolarHBondContact O-N 2.92Å; L297-V527 HydrophobicContact CD2-CB 3.92Å; L297-V527 HydrophobicContact CD2-CG1 3.7Å; L297-V527 HydrophobicContact CD2-CG2 4.28Å; L297-V527 HydrophobicContact CG-CG1 4.19Å; L297-L530 HydrophobicContact CD2-CD1 4.18Å; L297-A535 HydrophobicContact CD2-CB 4.28Å; L297-R538 HydrophobicContact CD2-CB 4.29Å; L297-F539 HydrophobicContact CB-CD2 3.86Å; L297-F539 HydrophobicContact CD1-CB 4.11Å; L297-F539 HydrophobicContact CD1-CD2 4.22Å
298Q96.9Very high90.8Very high2 Ų237.4 Ų37.41%0.00920%0.202CC..Hα-helixtrans-58.8-42.8175.9-75.9171.581.700112.2R276 F294 A295 N302 L502 F539R276-Q298 HydrophobicContact CG-CG 4.26Å; F294-Q298 WeakPolarHBondContact O-CB 3.46Å; F294-Q298 VanDerWaalsContact O-CG 3.3Å; F294-Q298 WeakPolarHBondContact O-CG 3.28Å; F294-Q298 PolarHBondContact O-N 3.22Å; F294-Q298 PolarHBondContact O-NE2 2.9Å; F294-Q298 VanDerWaalsContact O-NE2 3.14Å; A295-Q298 PolarHBondContact O-N 2.86Å; Q298-N302 VanDerWaalsContact O-CB 3.29Å; Q298-N302 WeakPolarHBondContact O-CB 3.42Å; Q298-N302 PolarHBondContact O-N 2.96Å; Q298-L502 HydrophobicContact CB-CD2 3.79Å; Q298-L502 PolarHBondContact NE2-O 2.82Å; Q298-F539 HydrophobicContact CG-CD2 4.4Å; Q298-F539 HydrophobicContact CG-CE2 3.71Å; Q298-F539 HydrophobicContact CG-CZ 4.43Å
299Y94.9Very high88.5Confident57 Ų5742.8 Ų42.822%0.22423%0.227CC..Hα-helixtrans-60.8-48.2175.7170.6-117.9000111.5A295 A296 L297 N302 K303 L497 L521 H524A295-Y299 WeakPolarHBondContact O-CB 3.27Å; A295-Y299 PolarHBondContact O-N 3.36Å; A296-Y299 PolarHBondContact O-N 3.47Å; L297-Y299 VanDerWaalsContact C-N 3.31Å; L297-Y299 PolarHBondContact O-N 3.19Å; Y299-N302 PolarHBondContact O-N 3.43Å; Y299-K303 WeakPolarHBondContact O-CB 3.43Å; Y299-K303 PolarHBondContact O-N 3.39Å; Y299-L497 HydrophobicContact CD2-CD1 3.26Å; Y299-L497 HydrophobicContact CE2-CD1 3.58Å; Y299-L497 HydrophobicContact CG-CD1 3.86Å; Y299-L521 HydrophobicContact CE1-CD2 4.14Å; Y299-H524 AromaticContact CD1-CD2 3.76Å; Y299-H524 AromaticContact CD1-CG 4Å
300H94.3Very high86.1Confident8 Ų843 Ų434%0.03723%0.234CC..Hα-helixtrans-61.3-48.3179.1-16957.7000112.3A296 L297 N302 K303 L304 H524 V527 A528 L530A296-H300 WeakPolarHBondContact O-CB 3.21Å; A296-H300 PolarHBondContact O-N 3.1Å; L297-H300 PolarHBondContact O-N 2.81Å; H300-N302 VanDerWaalsContact C-N 3.34Å; H300-N302 PolarHBondContact O-N 2.73Å; H300-K303 PolarHBondContact O-N 2.97Å; H300-L304 WeakPolarHBondContact NE2-CD1 3.44Å; H300-L304 WeakPolarHBondContact O-CG 3.27Å; H300-L304 PolarHBondContact O-N 3.44Å; H300-H524 AromaticContact CG-NE2 3.65Å; H300-H524 AromaticContact ND1-NE2 3.08Å; H300-H524 PolarHBondContact ND1-NE2 3.19Å; H300-V527 HydrophobicContact CB-CG2 4.47Å; H300-V527 PolarHBondContact CD2-O 3.08Å; H300-V527 PolarHBondContact NE2-O 2.83Å; H300-A528 PolarHBondContact CE1-O 3Å; H300-L530 PolarHBondContact NE2-O 3.02Å
301I95.3Very high83.5Confident0 Ų044.1 Ų44.10%026%0.258CS..Hα-helixtrans-57.7-46.8177-70.1166000110.4P201 Y272 L297 L304 S305 L532 A535 Q536P201-I301 HydrophobicContact CB-CG2 3.74Å; P201-I301 HydrophobicContact CG-CG2 3.44Å; P201-I301 VanDerWaalsContact CG-CG2 3.44Å; Y272-I301 HydrophobicContact CD2-CD1 4.05Å; Y272-I301 HydrophobicContact CE1-CG2 4.18Å; Y272-I301 HydrophobicContact CE2-CD1 3.46Å; Y272-I301 VanDerWaalsContact CE2-CD1 3.46Å; L297-I301 WeakPolarHBondContact O-CB 3.44Å; L297-I301 WeakPolarHBondContact O-CD1 3.38Å; L297-I301 WeakPolarHBondContact O-CG1 3.49Å; L297-I301 PolarHBondContact O-N 2.92Å; I301-L304 PolarHBondContact O-N 3.48Å; I301-S305 WeakPolarHBondContact O-CB 3.16Å; I301-S305 PolarHBondContact O-N 3.47Å; I301-L532 HydrophobicContact CB-CD1 4.29Å; I301-L532 HydrophobicContact CG2-CD1 3.76Å; I301-L532 WeakPolarHBondContact O-CD1 3.28Å; I301-A535 HydrophobicContact CD1-CB 4.19Å; I301-A535 HydrophobicContact CG1-CB 3.61Å; I301-Q536 HydrophobicContact CD1-CG 4.03Å; I301-Q536 HydrophobicContact CG1-CG 4.36Å; I301-Q536 HydrophobicContact CG2-CG 4.34Å
302N92.6Very high80.2Confident26 Ų2651.9 Ų51.914%0.13930%0.295CS..Hα-helixtrans-65.9-39.9179-179.470.7000112.1P204 Q298 Y299 H300 S305 Q306P204-N302 WeakPolarHBondContact CD-OD1 3.31Å; P204-N302 HydrophobicContact CG-CB 4.43Å; Q298-N302 VanDerWaalsContact O-CB 3.29Å; Q298-N302 WeakPolarHBondContact O-CB 3.42Å; Q298-N302 PolarHBondContact O-N 2.96Å; Y299-N302 PolarHBondContact O-N 3.43Å; H300-N302 VanDerWaalsContact C-N 3.34Å; H300-N302 PolarHBondContact O-N 2.73Å; N302-S305 PolarHBondContact O-N 2.97Å; N302-Q306 PolarHBondContact ND2-NE2 3.27Å; N302-Q306 WeakPolarHBondContact O-CG 3.28Å; N302-Q306 PolarHBondContact O-N 3.41Å; N302-Q306 VanDerWaalsContact O-N 3.16Å; N302-Q306 PolarHBondContact OD1-NE2 3.02Å
303K91Very high77.3Confident113 Ų11357.3 Ų57.349%0.49133%0.33SS..Hα-helixtrans-60-48.8176.5-177.6-179.3177-175.50111.2Y299 H300 Q306 S307Y299-K303 WeakPolarHBondContact O-CB 3.43Å; Y299-K303 PolarHBondContact O-N 3.39Å; H300-K303 PolarHBondContact O-N 2.97Å; K303-Q306 PolarHBondContact O-N 3.14Å; K303-S307 PolarHBondContact O-N 2.68Å; K303-S307 VanDerWaalsContact O-N 3.11Å; K303-S307 PolarHBondContact O-OG 2.84Å
304L90.7Very high74.2Confident35 Ų3558 Ų5818%0.18334%0.342CS..Hα-helixtrans-66.1-37.1178.2-69179.7000112.7H300 I301 Q306 S307 L532H300-L304 WeakPolarHBondContact NE2-CD1 3.44Å; H300-L304 WeakPolarHBondContact O-CG 3.27Å; H300-L304 PolarHBondContact O-N 3.44Å; I301-L304 PolarHBondContact O-N 3.48Å; L304-Q306 PolarHBondContact O-N 3.28Å; L304-S307 PolarHBondContact O-OG 3.33Å; L304-L532 HydrophobicContact CB-CB 4.38Å; L304-L532 HydrophobicContact CB-CD1 4.15Å; L304-L532 HydrophobicContact CD1-CB 4.21Å
305S89.4Confident71.2Confident27 Ų2762.1 Ų62.119%0.18939%0.386CS..Hα-helixtrans-66.8-26177.8-171.90000113I301 N302I301-S305 WeakPolarHBondContact O-CB 3.16Å; I301-S305 PolarHBondContact O-N 3.47Å; N302-S305 PolarHBondContact O-N 2.97Å
306Q83.3Confident68.1Low138 Ų13866.9 Ų66.965%0.64542%0.415SS*.Hα-helixtrans-89.9-30.6179.2-70.1-179.79.400113.1N302 K303 L304 G308N302-Q306 PolarHBondContact ND2-NE2 3.27Å; N302-Q306 WeakPolarHBondContact O-CG 3.28Å; N302-Q306 PolarHBondContact O-N 3.41Å; N302-Q306 VanDerWaalsContact O-N 3.16Å; N302-Q306 PolarHBondContact OD1-NE2 3.02Å; K303-Q306 PolarHBondContact O-N 3.14Å; L304-Q306 PolarHBondContact O-N 3.28Å; Q306-G308 PolarHBondContact O-N 3.1Å
307S74.9Confident65.1Low67 Ų6772.3 Ų72.347%0.46944%0.444SS..Hα-helixtrans-71.2-10.5179.457.40000113.6K303 L304 E309K303-S307 PolarHBondContact O-N 2.68Å; K303-S307 VanDerWaalsContact O-N 3.11Å; K303-S307 PolarHBondContact O-OG 2.84Å; L304-S307 PolarHBondContact O-OG 3.33Å; S307-E309 PolarHBondContact O-N 3.44Å; S307-E309 VanDerWaalsContact O-N 3.15Å
308G56.8Low62.3Low52 Ų5277.7 Ų77.754%0.53648%0.479SS..THydrogen-bonded Turntrans68.111.7173.700000114.4Q306 V310Q306-G308 PolarHBondContact O-N 3.1Å; G308-V310 PolarHBondContact O-N 2.81Å
309E41.7Very low59.6Low157 Ų15780.2 Ų80.273%0.73451%0.505SS*.  trans-70.574.5169.9-72.3-175.9168.800109S307 G311S307-E309 PolarHBondContact O-N 3.44Å; S307-E309 VanDerWaalsContact O-N 3.15Å; E309-G311 PolarHBondContact O-N 3.02Å
310V39.2Very low57Low97 Ų9782.4 Ų82.459%0.58852%0.52SS*.  trans-61.6112.5152.3-177.20000104.1G308 E312G308-V310 PolarHBondContact O-N 2.81Å; V310-E312 PolarHBondContact O-N 3.48Å
311G39.5Very low54.4Low70 Ų7087.5 Ų87.572%0.72255%0.548SS*.  trans-61.483.716200000108.1E309 P313E309-G311 PolarHBondContact O-N 3.02Å; G311-P313 VanDerWaalsContact O-CD 3.28Å; G311-P313 WeakPolarHBondContact O-CD 3.24Å
312E26.2Very low52.2Low165 Ų16593.5 Ų93.577%0.77158%0.58SS**  trans-62.4115.9148.5-71.6-169.3155.300104.9V310 A314V310-E312 PolarHBondContact O-N 3.48Å; E312-A314 PolarHBondContact O-N 2.87Å; E312-A314 VanDerWaalsContact O-N 3.08Å
313P34.5Very low49.8Very low118 Ų11897.1 Ų97.177%0.76660%0.599SS**  trans-58.9120156.127.2-27.7000104.2G311 G315G311-P313 VanDerWaalsContact O-CD 3.28Å; G311-P313 WeakPolarHBondContact O-CD 3.24Å; P313-G315 PolarHBondContact O-N 3.26Å; P313-G315 VanDerWaalsContact O-N 3.08Å
314A30.4Very low47.5Very low79 Ų7996.9 Ų96.965%0.65360%0.603SS**  trans-43.6125.8169.600000107.5E312 T316E312-A314 PolarHBondContact O-N 2.87Å; E312-A314 VanDerWaalsContact O-N 3.08Å; A314-T316 PolarHBondContact O-N 2.78Å; A314-T316 PolarHBondContact O-OG1 2.87Å
315G34Very low45.6Very low89 Ų8997.5 Ų97.592%0.91861%0.613SS**  trans-61.491.517000000108P313P313-G315 PolarHBondContact O-N 3.26Å; P313-G315 VanDerWaalsContact O-N 3.08Å
316T31.1Very low43.4Very low101 Ų10198.8 Ų98.862%0.6263%0.625SS**  trans-136.2125.7167.15.40000107.2A314A314-T316 PolarHBondContact O-N 2.78Å; A314-T316 PolarHBondContact O-OG1 2.87Å
317D33.6Very low41.4Very low115 Ų11598 Ų9862%0.61563%0.625SS**  trans-41.2127.1180-133.9-20.6000111.7G319 L320D317-G319 PolarHBondContact O-N 2.91Å; D317-L320 HydrophobicContact CB-CD1 4.31Å; D317-L320 PolarHBondContact O-N 3.48Å
318P39Very low39.9Very low116 Ų11699.1 Ų99.175%0.75363%0.633SS**THydrogen-bonded Turntrans-67.52.2-177.227.6-35.1000114.2
319G38.8Very low39.3Very low54 Ų54103.2 Ų103.256%0.55764%0.642SS**THydrogen-bonded Turntrans-98.3-9.9179.600000115.7D317D317-G319 PolarHBondContact O-N 2.91Å
320L40.8Very low39.4Very low103 Ų103103 Ų10354%0.53965%0.645SS.*THydrogen-bonded Turntrans-99.6-34.1-173.6-80.8160.7000113.7D317 D322 L323 D324D317-L320 HydrophobicContact CB-CD1 4.31Å; D317-L320 PolarHBondContact O-N 3.48Å; L320-D322 VanDerWaalsContact C-N 3.31Å; L320-D322 PolarHBondContact O-N 2.94Å; L320-L323 PolarHBondContact O-N 3.44Å; L320-L323 VanDerWaalsContact O-N 3.13Å; L320-D324 PolarHBondContact O-N 3.49Å
321D40.5Very low39.2Very low116 Ų116106.9 Ų106.962%0.6266%0.657SS**Hα-helixtrans-68.6-28.7177.7-88.7-13.1000112.9L323 A325D321-L323 VanDerWaalsContact C-N 3.27Å; D321-L323 PolarHBondContact O-N 3.38Å; D321-A325 WeakPolarHBondContact O-CB 3.29Å; D321-A325 PolarHBondContact O-N 3.39Å
322D48.9Very low39Very low125 Ų125110.4 Ų110.467%0.66866%0.664SS**Hα-helixtrans-72.9-21.3174.3-82.7-13.6000112.3L320 A326L320-D322 VanDerWaalsContact C-N 3.31Å; L320-D322 PolarHBondContact O-N 2.94Å; D322-A326 WeakPolarHBondContact O-CB 3.43Å; D322-A326 PolarHBondContact O-N 2.94Å; D322-A326 VanDerWaalsContact O-N 3.12Å
323L41.8Very low39.2Very low103 Ų103111.3 Ų111.354%0.53967%0.666SS.*Hα-helixtrans-82.6-40178-155.477.3000111.3L320 D321 A326 L327L320-L323 PolarHBondContact O-N 3.44Å; L320-L323 VanDerWaalsContact O-N 3.13Å; D321-L323 VanDerWaalsContact C-N 3.27Å; D321-L323 PolarHBondContact O-N 3.38Å; L323-A326 PolarHBondContact O-N 3.35Å; L323-L327 HydrophobicContact CG-CD1 4.41Å; L323-L327 WeakPolarHBondContact O-CB 3.34Å; L323-L327 WeakPolarHBondContact O-CD1 3.49Å; L323-L327 WeakPolarHBondContact O-CG 3.29Å; L323-L327 PolarHBondContact O-N 3.11Å
324D42.9Very low39.2Very low108 Ų108112.7 Ų112.758%0.57867%0.666SS**Hα-helixtrans-74.4-31.4175.6-78.5-21.1000112.3L320 S328L320-D324 PolarHBondContact O-N 3.49Å; D324-S328 PolarHBondContact O-N 2.81Å; D324-S328 PolarHBondContact O-OG 3.43Å
325A50.1Low39.1Very low47 Ų47118.5 Ų118.539%0.38868%0.679SS.*Hα-helixtrans-72.8-26.7169.600000113.1D321 S328 N329D321-A325 WeakPolarHBondContact O-CB 3.29Å; D321-A325 PolarHBondContact O-N 3.39Å; A325-S328 PolarHBondContact O-OG 3.28Å; A325-N329 PolarHBondContact O-ND2 3.34Å
326A43.1Very low38.9Very low55 Ų55117.6 Ų117.646%0.45567%0.67SS.*Hα-helixtrans-82-31.9174.500000113D322 L323D322-A326 WeakPolarHBondContact O-CB 3.43Å; D322-A326 PolarHBondContact O-N 2.94Å; D322-A326 VanDerWaalsContact O-N 3.12Å; L323-A326 PolarHBondContact O-N 3.35Å
327L41.3Very low38.8Very low120 Ų120118.6 Ų118.663%0.62868%0.682SS**Hα-helixtrans-72.6-30.7176.5-81.8160.5000112.8L323 N329L323-L327 HydrophobicContact CG-CD1 4.41Å; L323-L327 WeakPolarHBondContact O-CB 3.34Å; L323-L327 WeakPolarHBondContact O-CD1 3.49Å; L323-L327 WeakPolarHBondContact O-CG 3.29Å; L323-L327 PolarHBondContact O-N 3.11Å; L327-N329 VanDerWaalsContact C-N 3.31Å; L327-N329 PolarHBondContact O-N 3.49Å
328S43.3Very low38.8Very low91 Ų91117.9 Ų117.964%0.63669%0.691SS**THydrogen-bonded Turntrans-77.1-12.1176.8450000114.4D324 A325D324-S328 PolarHBondContact O-N 2.81Å; D324-S328 PolarHBondContact O-OG 3.43Å; A325-S328 PolarHBondContact O-OG 3.28Å
329N44.1Very low38.6Very low138 Ų138118.2 Ų118.274%0.73869%0.694SS**THydrogen-bonded Turntrans-98.17.1178.7-80.1-52.9000114.1A325 L327A325-N329 PolarHBondContact O-ND2 3.34Å; L327-N329 VanDerWaalsContact C-N 3.31Å; L327-N329 PolarHBondContact O-N 3.49Å
330L43.6Very low38.5Very low152 Ų152122.1 Ų122.180%0.79671%0.707SS**SBendtrans-136.349.1-174.5-114.7147.5000112.8
331E35.8Very low38.2Very low179 Ų179124.6 Ų124.684%0.83672%0.721SS**  trans-149.6107.6159.8-119.5176-168.400110.6
332V35Very low38.1Very low144 Ų144125 Ų12587%0.87373%0.727SS**  165.2111.5128.4169.30000107.3
333K31.5Very low37.3Very low185 Ų185126.6 Ų126.680%0.80474%0.735SS**  trans-113.5135.8167.6-140.1-178.3-176.4179.70107.6
334L33.6Very low37Very low146 Ų146128.8 Ų128.876%0.76475%0.747SS**  trans67.4114.7155.7-72.6142.3000118.5
335E28.4Very low36.7Very low201 Ų201128 Ų12894%0.93975%0.75SS**  -162.5144112.7-103.4174.5-164.900109.7
336G29.5Very low36.2Very low71 Ų71133.4 Ų133.473%0.73277%0.771SS**  trans-105.7171.5-165.400000115.6
337S29.3Very low36.4Very low122 Ų122137.4 Ų137.485%0.85379%0.791SS**  trans-178.6120.2138.937.20000108.5
338A32.9Very low37.1Very low99 Ų99136.6 Ų136.682%0.81879%0.79SS**  trans-82.6148.3166.400000109.2
339P35.6Very low38.5Very low124 Ų124136.2 Ų136.281%0.80578%0.78SS**  trans-116.5140134.423.5-8.8000111
340T37.3Very low40.4Very low136 Ų136132.2 Ų132.283%0.83476%0.762SS**  trans-60118.4170.740.10000112.5
341D34.5Very low42.7Very low154 Ų154128.4 Ų128.482%0.82474%0.74SS**  trans-178.4116.8147-104.5-20.9000102.6
342V37.8Very low45.4Very low124 Ų124120.6 Ų120.675%0.75270%0.704SS**  -159.9109.470.1-158.50000108
343L32.9Very low48.3Very low159 Ų159118.4 Ų118.483%0.83268%0.683SS**  trans-103.652.2170.9-169.776.2000109.6
344D34.7Very low51.3Low149 Ų149111.3 Ų111.380%0.79765%0.654SS**  trans-147.624.3-173-105.4-17.1000116.2
345S36.4Very low54.3Low91 Ų91108.1 Ų108.164%0.63663%0.632SS**  trans-14857.6173-68.50000113.1
346L38.9Very low57.4Low161 Ų16198.6 Ų98.684%0.84359%0.588SS**  trans-95.923.9-178.2-113.5160000114.5
347T48.7Very low60.3Low140 Ų140101.3 Ų101.386%0.85958%0.576SS**SBendtrans-134.2-0.1176.655.70000115.5
348T55.8Low63.2Low102 Ų10295.9 Ų95.963%0.62654%0.537SS*.SBendtrans-110.6115176.152.30000110.8P350T348-P350 WeakPolarHBondContact O-CD 3.18Å
349I71.4Confident65.6Low83 Ų8393.1 Ų93.143%0.42651%0.507SS..  trans-58122.4170.4-61.5168.9000107.5E351 K377 E378I349-E351 PolarHBondContact O-N 3.01Å; I349-K377 HydrophobicContact CG2-CG 4.08Å; I349-E378 HydrophobicContact CG2-CG 3.74Å
350P85Confident67.6Low55 Ų5591.1 Ų91.136%0.35748%0.483SS..  trans-60.9130.9-179.8-23.833.9000111.3T348 M457 A458T348-P350 WeakPolarHBondContact O-CD 3.18Å; P350-M457 HydrophobicContact CB-CB 4.15Å; P350-M457 HydrophobicContact CB-CE 4.4Å; P350-M457 WeakPolarHBondContact O-CE 3.44Å; P350-A458 HydrophobicContact CG-CB 3.9Å
351E90.8Very high68.9Low71 Ų7186.9 Ų86.933%0.33246%0.458SS..EExtended strand (participates in β ladder)trans-127.8137.5-179.7-69.8176.8-171.700109.8I349 K353 F376 K377I349-E351 PolarHBondContact O-N 3.01Å; E351-K353 WeakPolarHBondContact OE2-CE 3.47Å; E351-K353 IonicContact OE2-NZ 2.72Å; E351-K353 PolarHBondContact OE2-NZ 3.43Å; E351-F376 WeakPolarHBondContact CA-O 3.39Å; E351-K377 HydrophobicContact CG-CB 3.98Å; E351-K377 HydrophobicContact CG-CD 4.01Å; E351-K377 HydrophobicContact CG-CG 3.78Å; E351-K377 WeakPolarHBondContact OE1-CD 3.41Å; E351-K377 WeakPolarHBondContact OE1-CE 3.37Å; E351-K377 IonicContact OE1-NZ 2.76Å; E351-K377 PolarHBondContact OE1-NZ 3.47Å
352L93.9Very high70Confident16 Ų1687 Ų878%0.08445%0.447CS..EExtended strand (participates in β ladder)trans-102.3131.3165.5-72.2173.6000108.9V375 F376 R443 W444 M457L352-V375 CarbonylContact O-C 3.18Å; L352-V375 WeakPolarHBondContact O-CA 3.33Å; L352-F376 HydrophobicContact CB-CB 4.2Å; L352-F376 HydrophobicContact CD1-CD1 4.34Å; L352-F376 PolarHBondContact N-O 3.5Å; L352-F376 PolarHBondContact O-N 3.47Å; L352-R443 HydrophobicContact CD1-CB 4.45Å; L352-R443 HydrophobicContact CD2-CB 4.38Å; L352-W444 HydrophobicContact CB-CH2 4.32Å; L352-W444 HydrophobicContact CB-CZ2 3.96Å; L352-W444 HydrophobicContact CD1-CD2 4.35Å; L352-W444 HydrophobicContact CD1-CG 4.44Å; L352-M457 HydrophobicContact CB-CE 4.45Å; L352-M457 HydrophobicContact CB-SD 4.48Å; L352-M457 HydrophobicContact CD1-CE 4.41Å; L352-M457 HydrophobicContact CD1-SD 3.44Å; L352-M457 WeakPolarHBondContact CD1-SD 3.45Å; L352-M457 HydrophobicContact CG-CE 3.97Å; L352-M457 HydrophobicContact CG-SD 3.52Å; L352-M457 VanDerWaalsContact CG-SD 3.52Å
353K95.2Very high70.8Confident98 Ų9891.4 Ų91.443%0.42646%0.456SS..EExtended strand (participates in β ladder)trans-137.4114.9180-64.1-176.5-178.8160.90109.1E351 W373 V374 V375E351-K353 WeakPolarHBondContact OE2-CE 3.47Å; E351-K353 IonicContact OE2-NZ 2.72Å; E351-K353 PolarHBondContact OE2-NZ 3.43Å; K353-W373 HydrophobicContact CB-CH2 3.92Å; K353-W373 HydrophobicContact CB-CZ2 3.65Å; K353-W373 HydrophobicContact CD-CZ2 4.23Å; K353-W373 HydrophobicContact CG-CZ2 4.37Å; K353-V374 WeakPolarHBondContact CA-O 3.34Å; K353-V375 HydrophobicContact CG-CB 4.49Å; K353-V375 HydrophobicContact CG-CG1 4.12Å; K353-V375 HydrophobicContact CG-CG2 4.15Å
354D95.6Very high71.3Confident35 Ų3589.4 Ų89.419%0.18745%0.445CS..EExtended strand (participates in β ladder)trans-152.8160.8-179.4-78.8-58.7000111.4L356 V374 W444D354-L356 HydrophobicContact CB-CD2 4.41Å; D354-L356 PolarHBondContact O-N 2.94Å; D354-V374 PolarHBondContact N-O 2.99Å; D354-V374 VanDerWaalsContact N-O 3.14Å; D354-V374 PolarHBondContact O-N 3.29Å; D354-W444 HydrophobicContact CB-CZ2 3.79Å; D354-W444 PolarHBondContact OD2-NE1 3.27Å
355Y95Very high71.6Confident80 Ų8085.9 Ų85.931%0.31443%0.429SS..EExtended strand (participates in β ladder)trans-80.6111.9163.9-76.6-75.8000110.7Q371 H372 W373 Q436Y355-Q371 HydrophobicContact CD1-CG 3.95Å; Y355-Q371 HydrophobicContact CG-CG 4.44Å; Y355-H372 WeakPolarHBondContact CA-O 3.26Å; Y355-W373 HydrophobicContact CD1-CB 4.44Å; Y355-W373 HydrophobicContact CD1-CE3 4.13Å; Y355-W373 AromaticContact CD2-CE3 3.71Å; Y355-W373 HydrophobicContact CD2-CE3 3.71Å; Y355-W373 AromaticContact CD2-CZ3 3.8Å; Y355-W373 HydrophobicContact CD2-CZ3 3.8Å; Y355-W373 HydrophobicContact CE1-CB 4.05Å; Y355-W373 HydrophobicContact CE1-CE3 4.01Å; Y355-W373 AromaticContact CE2-CE3 3.55Å; Y355-W373 HydrophobicContact CE2-CE3 3.55Å; Y355-W373 AromaticContact CE2-CZ3 3.72Å; Y355-W373 HydrophobicContact CE2-CZ3 3.72Å; Y355-W373 AromaticContact CG-CE3 4Å; Y355-W373 HydrophobicContact CG-CE3 4Å; Y355-W373 HydrophobicContact CG-CZ3 4.45Å; Y355-W373 AromaticContact CZ-CE3 3.71Å; Y355-Q436 PolarHBondContact O-NE2 3.39Å
356L94.4Very high71.9Confident1 Ų187.3 Ų87.31%0.00543%0.429CS..EExtended strand (participates in β ladder)trans-114.6153.6173.6-56.9179.4000110.8D354 Q371 H372 V374 L433 C435 Q440 W444D354-L356 HydrophobicContact CB-CD2 4.41Å; D354-L356 PolarHBondContact O-N 2.94Å; L356-Q371 WeakPolarHBondContact O-CA 3.15Å; L356-H372 PolarHBondContact N-O 3.33Å; L356-H372 VanDerWaalsContact N-O 3.12Å; L356-H372 PolarHBondContact O-N 2.88Å; L356-V374 HydrophobicContact CB-CG2 3.77Å; L356-V374 HydrophobicContact CD1-CB 4.15Å; L356-V374 HydrophobicContact CD1-CG1 4.34Å; L356-V374 HydrophobicContact CD1-CG2 4.06Å; L356-V374 HydrophobicContact CG-CB 4.37Å; L356-V374 HydrophobicContact CG-CG2 4.04Å; L356-L433 HydrophobicContact CD1-CB 4.41Å; L356-L433 HydrophobicContact CD1-CD2 3.63Å; L356-C435 HydrophobicContact CD2-CB 4.48Å; L356-Q440 HydrophobicContact CD2-CG 4.12Å; L356-W444 HydrophobicContact CD1-CD2 3.6Å; L356-W444 HydrophobicContact CD1-CE3 3.56Å; L356-W444 HydrophobicContact CD1-CG 4.29Å; L356-W444 HydrophobicContact CD1-CH2 3.87Å; L356-W444 HydrophobicContact CD1-CZ2 3.9Å; L356-W444 HydrophobicContact CD1-CZ3 3.68Å; L356-W444 HydrophobicContact CG-CZ2 4.33Å
357R91.1Very high72.6Confident128 Ų12884.7 Ų84.748%0.48341%0.411SS..EExtended strand (participates in β ladder)trans-88.3113.8169.8-74.1-178.9-172.4175.54.3108.5Y369 R370 Q371 R434R357-Y369 HydrophobicContact CB-CD1 3.88Å; R357-Y369 HydrophobicContact CB-CG 4.39Å; R357-Y369 WeakPolarHBondContact O-CD1 3.3Å; R357-R370 CarbonylContact C-O 3.55Å; R357-R370 WeakPolarHBondContact CA-O 3.4Å; R357-Q371 HydrophobicContact CG-CB 4.47Å; R357-R434 HydrophobicContact CB-CB 4.02Å; R357-R434 PolarHBondContact N-O 2.97Å; R357-R434 VanDerWaalsContact N-O 3.07Å; R357-R434 PolarHBondContact O-N 2.95Å
358I89.7Confident73.3Confident8 Ų880 Ų804%0.04139%0.391CS..EExtended strand (participates in β ladder)trans-100.1133.4179-64-178.9000109.8R370 H372 V374 Y383 I431 Y432 L433I358-R370 PolarHBondContact N-O 3.4Å; I358-R370 PolarHBondContact O-N 2.76Å; I358-H372 HydrophobicContact CD1-CB 4.16Å; I358-V374 HydrophobicContact CD1-CG2 3.66Å; I358-V374 HydrophobicContact CG1-CG2 4.25Å; I358-Y383 HydrophobicContact CD1-CD1 3.6Å; I358-Y383 HydrophobicContact CD1-CD2 3.67Å; I358-Y383 HydrophobicContact CD1-CE1 4.16Å; I358-Y383 HydrophobicContact CD1-CE2 4.22Å; I358-Y383 HydrophobicContact CD1-CG 3.34Å; I358-I431 HydrophobicContact CG2-CD1 3.75Å; I358-I431 HydrophobicContact CG2-CG1 3.8Å; I358-Y432 WeakPolarHBondContact CA-O 3.49Å; I358-L433 HydrophobicContact CD1-CD2 4.31Å; I358-L433 HydrophobicContact CG1-CD2 4.11Å
359F83.6Confident74.3Confident40 Ų4079 Ų7918%0.17538%0.376CS..EExtended strand (participates in β ladder)trans-123135.8168.5172.5-108.2000109.8P361 K367 Y369 Y432F359-P361 HydrophobicContact CD1-CG 4.49Å; F359-P361 HydrophobicContact CE1-CB 4.44Å; F359-P361 HydrophobicContact CE1-CG 3.9Å; F359-K367 WeakPolarHBondContact CD2-O 3.44Å; F359-K367 WeakPolarHBondContact CE2-O 3.39Å; F359-Y369 HydrophobicContact CB-CD1 3.58Å; F359-Y369 HydrophobicContact CB-CD2 4.15Å; F359-Y369 HydrophobicContact CB-CE1 3.51Å; F359-Y369 HydrophobicContact CB-CE2 4.08Å; F359-Y369 HydrophobicContact CB-CG 3.91Å; F359-Y369 HydrophobicContact CG-CE2 4.49Å; F359-Y432 AromaticContact CD1-CD2 3.62Å; F359-Y432 HydrophobicContact CD1-CD2 3.62Å; F359-Y432 HydrophobicContact CD1-CE2 4.13Å; F359-Y432 HydrophobicContact CD1-CG 4.07Å; F359-Y432 HydrophobicContact CE1-CD2 4.23Å; F359-Y432 HydrophobicContact CE1-CE2 4.3Å; F359-Y432 PolarHBondContact N-O 2.86Å; F359-Y432 PolarHBondContact O-N 3.02Å
360R77.5Confident75Confident82 Ų8281.6 Ų81.631%0.30938%0.38SS..  trans-127.6116.9176.2-167.6173.9-173.2-179.1-3109R362 S429 E430R360-R362 PolarHBondContact O-N 3.23Å; R360-S429 PolarHBondContact NH2-OG 2.92Å; R360-E430 WeakPolarHBondContact CG-O 3.39Å
361P63Low75.3Confident47 Ų4784.4 Ų84.431%0.30539%0.389SS..  trans-65.3102.9170.7-10.825.1000107.7F359 E430 Y432F359-P361 HydrophobicContact CD1-CG 4.49Å; F359-P361 HydrophobicContact CE1-CB 4.44Å; F359-P361 HydrophobicContact CE1-CG 3.9Å; P361-E430 HydrophobicContact CG-CB 4.41Å; P361-E430 HydrophobicContact CG-CG 4.02Å; P361-Y432 HydrophobicContact CG-CD2 4.1Å; P361-Y432 HydrophobicContact CG-CE2 3.53Å
362R58.1Low75.4Confident157 Ų15782.3 Ų82.359%0.59238%0.379SS*.BIsolated β-bridgetrans-83.5139.7158.8-71.6-171.4177.5-154.1-3.1106.1R360 L364 T365R360-R362 PolarHBondContact O-N 3.23Å; R362-L364 PolarHBondContact O-N 3.05Å; R362-T365 WeakPolarHBondContact CB-OG1 3.48Å; R362-T365 PolarHBondContact O-N 2.87Å
363K54Low75.5Confident216 Ų21682.8 Ų82.894%0.93938%0.38SS*.THydrogen-bonded Turntrans-42.3-31.3-174.4-71.9-178.9176.7176.70113.6
364L43.5Very low75.6Confident118 Ų11878.1 Ų78.162%0.61836%0.359SS*.THydrogen-bonded Turntrans-14835.5178.4-77163.5000115.8R362R362-L364 PolarHBondContact O-N 3.05Å
365T42.9Very low75.6Confident75 Ų7577.2 Ų77.246%0.4636%0.355SS..BIsolated β-bridgetrans-141.7120.316758.50000112.7R362 K367R362-T365 WeakPolarHBondContact CB-OG1 3.48Å; R362-T365 PolarHBondContact O-N 2.87Å; T365-K367 VanDerWaalsContact C-N 3.29Å; T365-K367 PolarHBondContact O-N 3.44Å
366L41.3Very low75.6Confident121 Ų12173.5 Ų73.563%0.63434%0.34SS*.  trans-70.982.9164.3-81.9160.6000109.7E289 G368E289-L366 HydrophobicContact CB-CD1 3.58Å; E289-L366 HydrophobicContact CG-CD1 4.04Å; L366-G368 PolarHBondContact O-N 2.99Å
367K52.9Low75.5Confident106 Ų10677.1 Ų77.146%0.46136%0.356SS..  trans-83103147.3-72.9-173-179.3-179.80105.1F359 T365F359-K367 WeakPolarHBondContact CD2-O 3.44Å; F359-K367 WeakPolarHBondContact CE2-O 3.39Å; T365-K367 VanDerWaalsContact C-N 3.29Å; T365-K367 PolarHBondContact O-N 3.44Å
368G63.8Low75.4Confident42 Ų4275.3 Ų75.343%0.43335%0.353SS..  trans-56.4176.4173.700000112.3L366 R370L366-G368 PolarHBondContact O-N 2.99Å; G368-R370 PolarHBondContact O-N 3.08Å; G368-R370 VanDerWaalsContact O-N 3.13Å
369Y77.9Confident75.5Confident79 Ų7975.3 Ų75.331%0.3135%0.354SS..  trans-49.5121.2177.5-81.1-80.9000111.6R357 F359 R434R357-Y369 HydrophobicContact CB-CD1 3.88Å; R357-Y369 HydrophobicContact CB-CG 4.39Å; R357-Y369 WeakPolarHBondContact O-CD1 3.3Å; F359-Y369 HydrophobicContact CB-CD1 3.58Å; F359-Y369 HydrophobicContact CB-CD2 4.15Å; F359-Y369 HydrophobicContact CB-CE1 3.51Å; F359-Y369 HydrophobicContact CB-CE2 4.08Å; F359-Y369 HydrophobicContact CB-CG 3.91Å; F359-Y369 HydrophobicContact CG-CE2 4.49Å; Y369-R434 HydrophobicContact CD1-CB 3.93Å; Y369-R434 HydrophobicContact CE1-CB 3.56Å
370R84.9Confident76Confident139 Ų13974.8 Ų74.853%0.52535%0.354SS..EExtended strand (participates in β ladder)trans-115.5134.1174.4-73.1-174.6-177.1-154.4-3.7109.7R357 I358 G368 H372R357-R370 CarbonylContact C-O 3.55Å; R357-R370 WeakPolarHBondContact CA-O 3.4Å; I358-R370 PolarHBondContact N-O 3.4Å; I358-R370 PolarHBondContact O-N 2.76Å; G368-R370 PolarHBondContact O-N 3.08Å; G368-R370 VanDerWaalsContact O-N 3.13Å; R370-H372 VanDerWaalsContact CB-CE1 3.46Å; R370-H372 WeakPolarHBondContact CB-CE1 3.36Å; R370-H372 PolarHBondContact O-N 3.36Å; R370-H372 PolarHBondContact O-ND1 2.92Å
371Q91.7Very high76.8Confident113 Ų11370.9 Ų70.953%0.52834%0.339SS..EExtended strand (participates in β ladder)trans-69.3128.7174.1-174.1170.3-8.100109.2Y355 L356 R357Y355-Q371 HydrophobicContact CD1-CG 3.95Å; Y355-Q371 HydrophobicContact CG-CG 4.44Å; L356-Q371 WeakPolarHBondContact O-CA 3.15Å; R357-Q371 HydrophobicContact CG-CB 4.47Å
372H93.4Very high78.3Confident28 Ų2869.1 Ų69.113%0.1333%0.328CS..EExtended strand (participates in β ladder)trans-134.5154.9177.8-68.598.3000109.1Y355 L356 I358 R370 Y383 Y384 I395Y355-H372 WeakPolarHBondContact CA-O 3.26Å; L356-H372 PolarHBondContact N-O 3.33Å; L356-H372 VanDerWaalsContact N-O 3.12Å; L356-H372 PolarHBondContact O-N 2.88Å; I358-H372 HydrophobicContact CD1-CB 4.16Å; R370-H372 VanDerWaalsContact CB-CE1 3.46Å; R370-H372 WeakPolarHBondContact CB-CE1 3.36Å; R370-H372 PolarHBondContact O-N 3.36Å; R370-H372 PolarHBondContact O-ND1 2.92Å; H372-Y383 HydrophobicContact CB-CD2 4.17Å; H372-Y383 AromaticContact CG-CD2 3.99Å; H372-Y384 WeakPolarHBondContact CB-O 3.41Å; H372-I395 WeakPolarHBondContact CD2-CD1 3.45Å
373W96Very high80Confident25 Ų2562.3 Ų62.310%0.09530%0.302CS..EExtended strand (participates in β ladder)trans-82116.6169179.4-112.2000108.7K353 Y355 Y383 Y384 Q387K353-W373 HydrophobicContact CB-CH2 3.92Å; K353-W373 HydrophobicContact CB-CZ2 3.65Å; K353-W373 HydrophobicContact CD-CZ2 4.23Å; K353-W373 HydrophobicContact CG-CZ2 4.37Å; Y355-W373 HydrophobicContact CD1-CB 4.44Å; Y355-W373 HydrophobicContact CD1-CE3 4.13Å; Y355-W373 AromaticContact CD2-CE3 3.71Å; Y355-W373 HydrophobicContact CD2-CE3 3.71Å; Y355-W373 AromaticContact CD2-CZ3 3.8Å; Y355-W373 HydrophobicContact CD2-CZ3 3.8Å; Y355-W373 HydrophobicContact CE1-CB 4.05Å; Y355-W373 HydrophobicContact CE1-CE3 4.01Å; Y355-W373 AromaticContact CE2-CE3 3.55Å; Y355-W373 HydrophobicContact CE2-CE3 3.55Å; Y355-W373 AromaticContact CE2-CZ3 3.72Å; Y355-W373 HydrophobicContact CE2-CZ3 3.72Å; Y355-W373 AromaticContact CG-CE3 4Å; Y355-W373 HydrophobicContact CG-CE3 4Å; Y355-W373 HydrophobicContact CG-CZ3 4.45Å; Y355-W373 AromaticContact CZ-CE3 3.71Å; W373-Y383 CarbonylContact O-C 3.58Å; W373-Y383 VanDerWaalsContact O-CA 3.24Å; W373-Y383 WeakPolarHBondContact O-CA 3.39Å; W373-Y384 PolarHBondContact N-O 3.27Å; W373-Y384 PolarHBondContact O-N 3.39Å; W373-Q387 HydrophobicContact CD2-CB 3.92Å; W373-Q387 HydrophobicContact CD2-CG 4.18Å; W373-Q387 HydrophobicContact CE3-CB 4.31Å; W373-Q387 HydrophobicContact CG-CB 4.12Å; W373-Q387 HydrophobicContact CH2-CG 4.32Å; W373-Q387 HydrophobicContact CZ2-CB 4.45Å; W373-Q387 HydrophobicContact CZ2-CG 3.82Å
374V96.4Very high81.9Confident0 Ų052.8 Ų52.80%026%0.261CS..EExtended strand (participates in β ladder)trans-111.5131.2-173.9-1670000109.5K353 D354 L356 I358 L381 L433 W444K353-V374 WeakPolarHBondContact CA-O 3.34Å; D354-V374 PolarHBondContact N-O 2.99Å; D354-V374 VanDerWaalsContact N-O 3.14Å; D354-V374 PolarHBondContact O-N 3.29Å; L356-V374 HydrophobicContact CB-CG2 3.77Å; L356-V374 HydrophobicContact CD1-CB 4.15Å; L356-V374 HydrophobicContact CD1-CG1 4.34Å; L356-V374 HydrophobicContact CD1-CG2 4.06Å; L356-V374 HydrophobicContact CG-CB 4.37Å; L356-V374 HydrophobicContact CG-CG2 4.04Å; I358-V374 HydrophobicContact CD1-CG2 3.66Å; I358-V374 HydrophobicContact CG1-CG2 4.25Å; V374-L381 HydrophobicContact CG1-CD1 4.36Å; V374-L381 HydrophobicContact CG1-CD2 3.95Å; V374-L381 HydrophobicContact CG1-CG 3.98Å; V374-L433 HydrophobicContact CG1-CD2 4.5Å; V374-W444 HydrophobicContact CB-CH2 3.62Å; V374-W444 HydrophobicContact CB-CZ2 4.38Å; V374-W444 HydrophobicContact CB-CZ3 4.17Å; V374-W444 HydrophobicContact CG1-CH2 3.44Å; V374-W444 VanDerWaalsContact CG1-CH2 3.44Å; V374-W444 HydrophobicContact CG1-CZ3 3.54Å
375V95.7Very high84Confident17 Ų1753.9 Ų53.910%0.10326%0.26CS..EExtended strand (participates in β ladder)trans-119.6119176.5-177.30000108.2L352 K353 S382 Y384L352-V375 CarbonylContact O-C 3.18Å; L352-V375 WeakPolarHBondContact O-CA 3.33Å; K353-V375 HydrophobicContact CG-CB 4.49Å; K353-V375 HydrophobicContact CG-CG1 4.12Å; K353-V375 HydrophobicContact CG-CG2 4.15Å; V375-S382 PolarHBondContact N-O 3.3Å; V375-S382 PolarHBondContact O-N 3.31Å; V375-S382 VanDerWaalsContact O-O 3.11Å; V375-Y384 HydrophobicContact CB-CE2 4.28Å; V375-Y384 HydrophobicContact CG2-CD2 4.28Å; V375-Y384 HydrophobicContact CG2-CE2 3.86Å
376F94.9Very high86.3Confident1 Ų151.8 Ų51.80%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-113116.1174.7179.8-100.2000109.4E351 L352 T380 L381 L400 W444 G447 A451 M457E351-F376 WeakPolarHBondContact CA-O 3.39Å; L352-F376 HydrophobicContact CB-CB 4.2Å; L352-F376 HydrophobicContact CD1-CD1 4.34Å; L352-F376 PolarHBondContact N-O 3.5Å; L352-F376 PolarHBondContact O-N 3.47Å; F376-T380 WeakPolarHBondContact CA-O 3.45Å; F376-L381 HydrophobicContact CD2-CB 3.96Å; F376-L381 HydrophobicContact CD2-CD1 4.36Å; F376-L381 HydrophobicContact CD2-CG 4.42Å; F376-L400 HydrophobicContact CD2-CD1 4.36Å; F376-L400 HydrophobicContact CE2-CD1 3.68Å; F376-L400 HydrophobicContact CE2-CG 4.37Å; F376-W444 HydrophobicContact CB-CE3 4.48Å; F376-W444 HydrophobicContact CB-CH2 3.99Å; F376-W444 HydrophobicContact CB-CZ3 3.72Å; F376-G447 WeakPolarHBondContact CZ-O 3.26Å; F376-A451 HydrophobicContact CE2-CB 4.13Å; F376-A451 HydrophobicContact CZ-CB 3.66Å; F376-M457 HydrophobicContact CD1-CE 3.52Å; F376-M457 HydrophobicContact CD1-CG 4.47Å; F376-M457 HydrophobicContact CD1-SD 3.62Å; F376-M457 HydrophobicContact CE1-CE 3.85Å; F376-M457 HydrophobicContact CE1-CG 3.93Å; F376-M457 HydrophobicContact CE1-SD 3.67Å
377K92.1Very high88.6Confident78 Ų7851 Ų5134%0.33924%0.242SC..EExtended strand (participates in β ladder)trans-133.8131.3-175-178.9176-172.3153.40109.2I349 E351 T379 T380I349-K377 HydrophobicContact CG2-CG 4.08Å; E351-K377 HydrophobicContact CG-CB 3.98Å; E351-K377 HydrophobicContact CG-CD 4.01Å; E351-K377 HydrophobicContact CG-CG 3.78Å; E351-K377 WeakPolarHBondContact OE1-CD 3.41Å; E351-K377 WeakPolarHBondContact OE1-CE 3.37Å; E351-K377 IonicContact OE1-NZ 2.76Å; E351-K377 PolarHBondContact OE1-NZ 3.47Å; K377-T379 PolarHBondContact O-N 2.89Å; K377-T380 PolarHBondContact N-O 3.3Å; K377-T380 PolarHBondContact O-N 2.99Å
378E90.4Very high90.3Very high90 Ų9053.4 Ų53.442%0.42126%0.26SS..THydrogen-bonded Turntrans57-96.3-175.9-60.9167.8-172.100112.7I349 T456I349-E378 HydrophobicContact CG2-CG 3.74Å; E378-T456 HydrophobicContact CB-CG2 4.45Å
379T91.6Very high91.3Very high8 Ų855.4 Ų55.45%0.04926%0.258CS..THydrogen-bonded Turntrans-128.28.6177.753.40000112.2K377 L400 K401 A451 T456K377-T379 PolarHBondContact O-N 2.89Å; T379-L400 PolarHBondContact O-N 2.95Å; T379-K401 HydrophobicContact CG2-CG 4.27Å; T379-K401 VanDerWaalsContact OG1-CE 3.27Å; T379-K401 WeakPolarHBondContact OG1-CE 3.29Å; T379-A451 HydrophobicContact CG2-CB 4.05Å; T379-T456 HydrophobicContact CG2-CG2 4.32Å
380T92.9Very high91.5Very high28 Ų2853 Ų5317%0.17225%0.254CS..EExtended strand (participates in β ladder)trans-114.1128.3-170.2-54.10000110.4F376 K377 Q397 L398F376-T380 WeakPolarHBondContact CA-O 3.45Å; K377-T380 PolarHBondContact N-O 3.3Å; K377-T380 PolarHBondContact O-N 2.99Å; T380-Q397 HydrophobicContact CG2-CG 3.35Å; T380-L398 WeakPolarHBondContact CA-O 3.3Å
381L95Very high91Very high0 Ų052.4 Ų52.40%027%0.268CS..EExtended strand (participates in β ladder)trans-103.1122.4174.7-169.9147.5000109.3V374 F376 Y383 Q397 L398 L400 L420 L433 W444V374-L381 HydrophobicContact CG1-CD1 4.36Å; V374-L381 HydrophobicContact CG1-CD2 3.95Å; V374-L381 HydrophobicContact CG1-CG 3.98Å; F376-L381 HydrophobicContact CD2-CB 3.96Å; F376-L381 HydrophobicContact CD2-CD1 4.36Å; F376-L381 HydrophobicContact CD2-CG 4.42Å; L381-Y383 HydrophobicContact CD2-CD1 4.03Å; L381-Q397 WeakPolarHBondContact O-CA 3.31Å; L381-L398 PolarHBondContact N-O 3.36Å; L381-L398 PolarHBondContact O-N 2.67Å; L381-L400 HydrophobicContact CB-CD1 4.23Å; L381-L400 HydrophobicContact CB-CD2 4.37Å; L381-L400 HydrophobicContact CB-CG 4.28Å; L381-L400 HydrophobicContact CD1-CD1 4.36Å; L381-L420 HydrophobicContact CD1-CD1 4.2Å; L381-L433 HydrophobicContact CD1-CD1 3.84Å; L381-L433 HydrophobicContact CD1-CD2 4.01Å; L381-W444 HydrophobicContact CD1-CZ3 4.26Å
382S94.6Very high90.6Very high11 Ų1149.1 Ų49.18%0.07727%0.265CS..EExtended strand (participates in β ladder)trans-124.9144.3176.6-46.10000109.7V375 Q396V375-S382 PolarHBondContact N-O 3.3Å; V375-S382 PolarHBondContact O-N 3.31Å; V375-S382 VanDerWaalsContact O-O 3.11Å; S382-Q396 WeakPolarHBondContact CA-O 3.3Å
383Y94.1Very high90.1Very high13 Ų1354.9 Ų54.95%0.05130%0.297CS..EExtended strand (participates in β ladder)trans-139.8148.5175.662.7-87.5000113.4I358 H372 W373 L381 I395 Q396 I431I358-Y383 HydrophobicContact CD1-CD1 3.6Å; I358-Y383 HydrophobicContact CD1-CD2 3.67Å; I358-Y383 HydrophobicContact CD1-CE1 4.16Å; I358-Y383 HydrophobicContact CD1-CE2 4.22Å; I358-Y383 HydrophobicContact CD1-CG 3.34Å; H372-Y383 HydrophobicContact CB-CD2 4.17Å; H372-Y383 AromaticContact CG-CD2 3.99Å; W373-Y383 CarbonylContact O-C 3.58Å; W373-Y383 VanDerWaalsContact O-CA 3.24Å; W373-Y383 WeakPolarHBondContact O-CA 3.39Å; L381-Y383 HydrophobicContact CD2-CD1 4.03Å; Y383-I395 HydrophobicContact CD2-CB 3.94Å; Y383-I395 HydrophobicContact CD2-CD1 4.06Å; Y383-I395 HydrophobicContact CD2-CG2 4.31Å; Y383-I395 HydrophobicContact CE2-CB 3.7Å; Y383-I395 HydrophobicContact CE2-CD1 4.21Å; Y383-I395 HydrophobicContact CE2-CG2 3.57Å; Y383-I395 WeakPolarHBondContact O-CB 3.29Å; Y383-I395 PolarHBondContact O-N 3.29Å; Y383-Q396 HydrophobicContact CD1-CB 4.45Å; Y383-Q396 HydrophobicContact CE1-CB 3.59Å; Y383-Q396 PolarHBondContact N-O 3.04Å; Y383-Q396 WeakPolarHBondContact OH-CB 3.35Å; Y383-Q396 PolarHBondContact OH-OE1 3.26Å; Y383-I431 HydrophobicContact CD1-CD1 4.47Å; Y383-I431 HydrophobicContact CE1-CD1 3.81Å
384Y93.6Very high89.8Confident17 Ų1755 Ų557%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-129.5163.1-169.9-52-96.3000109.7H372 W373 V375 S386 E389 A390 G392 P394H372-Y384 WeakPolarHBondContact CB-O 3.41Å; W373-Y384 PolarHBondContact N-O 3.27Å; W373-Y384 PolarHBondContact O-N 3.39Å; V375-Y384 HydrophobicContact CB-CE2 4.28Å; V375-Y384 HydrophobicContact CG2-CD2 4.28Å; V375-Y384 HydrophobicContact CG2-CE2 3.86Å; Y384-S386 VanDerWaalsContact C-N 3.34Å; Y384-S386 WeakPolarHBondContact CB-O 3.41Å; Y384-E389 WeakPolarHBondContact CD1-O 3.19Å; Y384-A390 HydrophobicContact CD1-CB 4.08Å; Y384-A390 HydrophobicContact CD2-CB 3.67Å; Y384-A390 HydrophobicContact CE1-CB 4.18Å; Y384-A390 HydrophobicContact CE2-CB 3.79Å; Y384-A390 HydrophobicContact CG-CB 3.84Å; Y384-G392 WeakPolarHBondContact CE1-O 3.37Å; Y384-P394 HydrophobicContact CD1-CB 4.2Å; Y384-P394 VanDerWaalsContact CE1-CA 3.48Å; Y384-P394 HydrophobicContact CE1-CB 3.66Å; Y384-P394 HydrophobicContact CE1-CG 4.48Å
385K88.8Confident89.5Confident140 Ų14058.8 Ų58.861%0.60932%0.32SS*.SBendtrans-68.4-37.9178.4-61.3176.9-171.7155.40111.6E389 I395K385-E389 WeakPolarHBondContact CB-OE2 3.26Å; K385-I395 HydrophobicContact CG-CD1 3.71Å; K385-I395 HydrophobicContact CG-CG1 4.28Å
386S90.2Very high89.1Confident32 Ų3259.6 Ų59.622%0.22432%0.323CS..SBendtrans-144.9169.7178.764.70000110.6Y384 D388 E389Y384-S386 VanDerWaalsContact C-N 3.34Å; Y384-S386 WeakPolarHBondContact CB-O 3.41Å; S386-D388 VanDerWaalsContact C-N 3.31Å; S386-E389 PolarHBondContact O-N 3.13Å
387Q90.4Very high88.9Confident103 Ų10365.5 Ų65.548%0.48135%0.351SS..G310 helixtrans-64.6-34176.2-177.6174.8-0.600112.8W373 E389 A390W373-Q387 HydrophobicContact CD2-CB 3.92Å; W373-Q387 HydrophobicContact CD2-CG 4.18Å; W373-Q387 HydrophobicContact CE3-CB 4.31Å; W373-Q387 HydrophobicContact CG-CB 4.12Å; W373-Q387 HydrophobicContact CH2-CG 4.32Å; W373-Q387 HydrophobicContact CZ2-CB 4.45Å; W373-Q387 HydrophobicContact CZ2-CG 3.82Å; Q387-E389 PolarHBondContact O-N 3.22Å; Q387-A390 PolarHBondContact O-N 3.1Å; Q387-A390 VanDerWaalsContact O-N 3.12Å
388D87.3Confident88.9Confident157 Ų15762.3 Ų62.384%0.8434%0.337SS*.G310 helixtrans-67.5-22.3-178.6-55.7-37.2000113.1S386 A390S386-D388 VanDerWaalsContact C-N 3.31Å; D388-A390 VanDerWaalsContact C-N 3.33Å
389E85.1Confident88.9Confident84 Ų8462 Ų6239%0.39334%0.338SS..G310 helixtrans-84.6-5.2176.8-68.1-178.8-170.200112.7Y384 K385 S386 Q387 G392Y384-E389 WeakPolarHBondContact CD1-O 3.19Å; K385-E389 WeakPolarHBondContact CB-OE2 3.26Å; S386-E389 PolarHBondContact O-N 3.13Å; Q387-E389 PolarHBondContact O-N 3.22Å; E389-G392 VanDerWaalsContact O-CA 3.23Å; E389-G392 WeakPolarHBondContact O-CA 3.27Å; E389-G392 PolarHBondContact O-N 3.15Å
390A83.2Confident88.9Confident28 Ų2861.6 Ų61.623%0.23134%0.336CS..THydrogen-bonded Turntrans-100.8135.717900000111.4Y384 Q387 D388Y384-A390 HydrophobicContact CD1-CB 4.08Å; Y384-A390 HydrophobicContact CD2-CB 3.67Å; Y384-A390 HydrophobicContact CE1-CB 4.18Å; Y384-A390 HydrophobicContact CE2-CB 3.79Å; Y384-A390 HydrophobicContact CG-CB 3.84Å; Q387-A390 PolarHBondContact O-N 3.1Å; Q387-A390 VanDerWaalsContact O-N 3.12Å; D388-A390 VanDerWaalsContact C-N 3.33Å
391P74.1Confident88.8Confident127 Ų12765.8 Ų65.883%0.82535%0.352SS*.THydrogen-bonded Turncis-96.748.46.939.9-35.8000113
392G82.2Confident88.1Confident44 Ų4468.4 Ų68.445%0.45438%0.379SS..SBendtrans-70-146.4174.400000112.7Y384 E389 P394Y384-G392 WeakPolarHBondContact CE1-O 3.37Å; E389-G392 VanDerWaalsContact O-CA 3.23Å; E389-G392 WeakPolarHBondContact O-CA 3.27Å; E389-G392 PolarHBondContact O-N 3.15Å; G392-P394 VanDerWaalsContact O-CD 3.25Å; G392-P394 WeakPolarHBondContact O-CD 3.41Å
393D84.1Confident87.8Confident150 Ų15068.4 Ų68.480%0.80238%0.378SS*.SBendtrans-77.3113179.6-167.127000110.8
394P89.3Confident87.5Confident27 Ų2773.2 Ų73.218%0.17540%0.401CS..  trans-70.2147.1-179.829.4-34000110.9Y384 G392 Q396 Q397Y384-P394 HydrophobicContact CD1-CB 4.2Å; Y384-P394 VanDerWaalsContact CE1-CA 3.48Å; Y384-P394 HydrophobicContact CE1-CB 3.66Å; Y384-P394 HydrophobicContact CE1-CG 4.48Å; G392-P394 VanDerWaalsContact O-CD 3.25Å; G392-P394 WeakPolarHBondContact O-CD 3.41Å; P394-Q396 PolarHBondContact O-N 3.42Å; P394-Q397 HydrophobicContact CG-CB 4.25Å
395I89Confident87.4Confident79 Ų7973.5 Ų73.541%0.40541%0.405SS..SBendtrans-57-38171.2-61.6172.2000109.8H372 Y383 K385H372-I395 WeakPolarHBondContact CD2-CD1 3.45Å; Y383-I395 HydrophobicContact CD2-CB 3.94Å; Y383-I395 HydrophobicContact CD2-CD1 4.06Å; Y383-I395 HydrophobicContact CD2-CG2 4.31Å; Y383-I395 HydrophobicContact CE2-CB 3.7Å; Y383-I395 HydrophobicContact CE2-CD1 4.21Å; Y383-I395 HydrophobicContact CE2-CG2 3.57Å; Y383-I395 WeakPolarHBondContact O-CB 3.29Å; Y383-I395 PolarHBondContact O-N 3.29Å; K385-I395 HydrophobicContact CG-CD1 3.71Å; K385-I395 HydrophobicContact CG-CG1 4.28Å
396Q88Confident87.2Confident34 Ų3469.1 Ų69.116%0.15939%0.39CS..EExtended strand (participates in β ladder)trans-159.1149.1170.6-163.3178.37.600110.5S382 Y383 P394 L398S382-Q396 WeakPolarHBondContact CA-O 3.3Å; Y383-Q396 HydrophobicContact CD1-CB 4.45Å; Y383-Q396 HydrophobicContact CE1-CB 3.59Å; Y383-Q396 PolarHBondContact N-O 3.04Å; Y383-Q396 WeakPolarHBondContact OH-CB 3.35Å; Y383-Q396 PolarHBondContact OH-OE1 3.26Å; P394-Q396 PolarHBondContact O-N 3.42Å; Q396-L398 HydrophobicContact CG-CD2 4.3Å; Q396-L398 HydrophobicContact CG-CG 4.25Å
397Q91.9Very high87Confident126 Ų12670.7 Ų70.759%0.58940%0.399SS*.EExtended strand (participates in β ladder)trans-120.2129.5170.6-170.9170.120.600109T380 L381 P394T380-Q397 HydrophobicContact CG2-CG 3.35Å; L381-Q397 WeakPolarHBondContact O-CA 3.31Å; P394-Q397 HydrophobicContact CG-CB 4.25Å
398L90.5Very high86.6Confident11 Ų1168.4 Ų68.46%0.05839%0.39CS..EExtended strand (participates in β ladder)trans-126.2123.1-177-67.8172.4000109.6T380 L381 Q396 L400 V422 I431T380-L398 WeakPolarHBondContact CA-O 3.3Å; L381-L398 PolarHBondContact N-O 3.36Å; L381-L398 PolarHBondContact O-N 2.67Å; Q396-L398 HydrophobicContact CG-CD2 4.3Å; Q396-L398 HydrophobicContact CG-CG 4.25Å; L398-L400 HydrophobicContact CB-CD2 4.11Å; L398-V422 HydrophobicContact CD1-CG2 4.39Å; L398-V422 HydrophobicContact CD2-CB 4.49Å; L398-V422 HydrophobicContact CD2-CG1 4.29Å; L398-I431 HydrophobicContact CD1-CB 4.49Å; L398-I431 HydrophobicContact CD1-CD1 3.89Å; L398-I431 HydrophobicContact CD1-CG2 3.9Å
399N91.6Very high86.4Confident82 Ų8262.8 Ų62.844%0.43936%0.361SS..EExtended strand (participates in β ladder)trans-83.2118168.4-175.4-9.9000108.6K401 V422N399-K401 VanDerWaalsContact C-N 3.3Å; N399-K401 PolarHBondContact O-N 3.22Å; N399-K401 WeakPolarHBondContact OD1-CB 3.43Å; N399-K401 VanDerWaalsContact OD1-CG 3.27Å; N399-K401 WeakPolarHBondContact OD1-CG 3.32Å; N399-K401 PolarHBondContact OD1-N 2.66Å; N399-K401 VanDerWaalsContact OD1-N 3.08Å; N399-V422 VanDerWaalsContact O-CG1 3.28Å; N399-V422 WeakPolarHBondContact O-CG1 3.31Å
400L92.1Very high86Confident0 Ų062.2 Ų62.20%036%0.361CS..  trans-85.40.2-174.9-58.3-165.9000113.3F376 T379 L381 L398 G402 C403 L420 V422 C448 A451 S452F376-L400 HydrophobicContact CD2-CD1 4.36Å; F376-L400 HydrophobicContact CE2-CD1 3.68Å; F376-L400 HydrophobicContact CE2-CG 4.37Å; T379-L400 PolarHBondContact O-N 2.95Å; L381-L400 HydrophobicContact CB-CD1 4.23Å; L381-L400 HydrophobicContact CB-CD2 4.37Å; L381-L400 HydrophobicContact CB-CG 4.28Å; L381-L400 HydrophobicContact CD1-CD1 4.36Å; L398-L400 HydrophobicContact CB-CD2 4.11Å; L400-G402 PolarHBondContact O-N 3.48Å; L400-C403 WeakPolarHBondContact O-CB 3.26Å; L400-C403 PolarHBondContact O-N 3.42Å; L400-C403 PolarHBondContact O-SG 3.19Å; L400-L420 HydrophobicContact CD1-CD1 3.95Å; L400-L420 HydrophobicContact CD2-CD1 3.94Å; L400-V422 HydrophobicContact CD2-CG2 3.7Å; L400-C448 HydrophobicContact CD1-CB 4.33Å; L400-A451 HydrophobicContact CB-CB 3.92Å; L400-S452 VanDerWaalsContact O-CA 3.29Å; L400-S452 WeakPolarHBondContact O-CA 3.39Å
401K89.5Confident85.8Confident117 Ų11761.7 Ų61.751%0.50936%0.355SS..THydrogen-bonded Turntrans-58.6122.9176.2-69.4-176.6-176.7-179.10110.9T379 N399 C403 A451T379-K401 HydrophobicContact CG2-CG 4.27Å; T379-K401 VanDerWaalsContact OG1-CE 3.27Å; T379-K401 WeakPolarHBondContact OG1-CE 3.29Å; N399-K401 VanDerWaalsContact C-N 3.3Å; N399-K401 PolarHBondContact O-N 3.22Å; N399-K401 WeakPolarHBondContact OD1-CB 3.43Å; N399-K401 VanDerWaalsContact OD1-CG 3.27Å; N399-K401 WeakPolarHBondContact OD1-CG 3.32Å; N399-K401 PolarHBondContact OD1-N 2.66Å; N399-K401 VanDerWaalsContact OD1-N 3.08Å; K401-C403 VanDerWaalsContact C-N 3.28Å; K401-C403 PolarHBondContact O-N 3.34Å; K401-A451 WeakPolarHBondContact CA-O 3.27Å
402G81.3Confident85.7Confident55 Ų5561.1 Ų61.157%0.56735%0.354SS*.THydrogen-bonded Turntrans73.314.6-178.700000114.7L400 P423 S452L400-G402 PolarHBondContact O-N 3.48Å; G402-P423 WeakPolarHBondContact O-CG 3.45Å; G402-S452 PolarHBondContact N-O 3.14Å
403C87.8Confident84.9Confident10 Ų1061.2 Ų61.27%0.06836%0.355CS..  trans-77.3157.3172.180.90000112.1L400 K401 V405 L421 V422 S452L400-C403 WeakPolarHBondContact O-CB 3.26Å; L400-C403 PolarHBondContact O-N 3.42Å; L400-C403 PolarHBondContact O-SG 3.19Å; K401-C403 VanDerWaalsContact C-N 3.28Å; K401-C403 PolarHBondContact O-N 3.34Å; C403-V405 VanDerWaalsContact SG-CG2 3.6Å; C403-L421 VanDerWaalsContact CA-O 3.24Å; C403-L421 WeakPolarHBondContact CA-O 3.44Å; C403-L421 VanDerWaalsContact CB-O 3.28Å; C403-L421 WeakPolarHBondContact CB-O 3.46Å; C403-V422 HydrophobicContact CB-CB 4.46Å; C403-V422 HydrophobicContact CB-CG2 4.07Å; C403-S452 VanDerWaalsContact O-CB 3.27Å; C403-S452 WeakPolarHBondContact O-CB 3.14Å
404E88.6Confident84.6Confident114 Ų11461.1 Ų61.153%0.53335%0.35SS..EExtended strand (participates in β ladder)trans-93.5130.1168.3-162.4-174.2157.600109.5V406 L420 L421E404-V406 HydrophobicContact CG-CG2 4.15Å; E404-L420 WeakPolarHBondContact O-CA 3.42Å; E404-L421 HydrophobicContact CB-CB 4.03Å; E404-L421 HydrophobicContact CB-CD1 4.22Å; E404-L421 PolarHBondContact N-O 3.32Å; E404-L421 PolarHBondContact O-N 3.03Å; E404-L421 WeakPolarHBondContact OE2-CD1 3.4Å
405V90.6Very high84.3Confident23 Ų2362.2 Ų62.214%0.13935%0.352CS..EExtended strand (participates in β ladder)trans-115.3107.1-177.2-173.20000109.2C403 I418 L420 M445 C448 R449C403-V405 VanDerWaalsContact SG-CG2 3.6Å; V405-I418 HydrophobicContact CG1-CG2 3.78Å; V405-L420 HydrophobicContact CB-CD2 4.2Å; V405-L420 HydrophobicContact CG1-CD2 3.84Å; V405-L420 HydrophobicContact CG2-CD2 3.79Å; V405-M445 HydrophobicContact CG1-CE 3.72Å; V405-M445 HydrophobicContact CG1-SD 3.73Å; V405-C448 HydrophobicContact CG1-CB 3.87Å; V405-C448 HydrophobicContact CG2-CB 4.15Å; V405-R449 HydrophobicContact CB-CG 4.43Å; V405-R449 HydrophobicContact CG1-CG 4.19Å
406V84.8Confident84.4Confident49 Ų4958.8 Ų58.830%0.29733%0.334SS..EExtended strand (participates in β ladder)trans-110.1124-175.1-176.10000109.8E404 K419E404-V406 HydrophobicContact CG-CG2 4.15Å; V406-K419 HydrophobicContact CB-CB 4.21Å; V406-K419 HydrophobicContact CB-CG 4.5Å; V406-K419 PolarHBondContact N-O 3.47Å; V406-K419 PolarHBondContact O-N 3.03Å
407P86.3Confident84.5Confident64 Ų6457.1 Ų57.142%0.41633%0.326SS..EExtended strand (participates in β ladder)trans-75.3140.5174.931.2-32.8000111Y441 M445P407-Y441 VanDerWaalsContact CB-OH 3.26Å; P407-Y441 WeakPolarHBondContact CB-OH 3.31Å; P407-M445 HydrophobicContact CB-CE 3.78Å; P407-M445 HydrophobicContact CG-CE 4.14Å
408D81.8Confident84.5Confident56 Ų5651.1 Ų51.130%0.29930%0.298SS..EExtended strand (participates in β ladder)trans-13481.6171.6175.614.9000108.2K415 C417D408-K415 WeakPolarHBondContact OD1-CE 3.42Å; D408-K415 IonicContact OD1-NZ 3.48Å; D408-K415 PolarHBondContact OD1-NZ 3.31Å; D408-K415 WeakPolarHBondContact OD2-CE 3.48Å; D408-K415 IonicContact OD2-NZ 2.78Å; D408-K415 PolarHBondContact OD2-NZ 3.41Å; D408-C417 CarbonylContact C-O 3.54Å; D408-C417 HydrophobicContact CB-CB 3.87Å; D408-C417 PolarHBondContact N-O 2.66Å; D408-C417 WeakPolarHBondContact O-CA 3.44Å; D408-C417 WeakPolarHBondContact O-CB 3.48Å; D408-C417 PolarHBondContact O-N 3.14Å
409V82.8Confident84.5Confident38 Ų3853 Ų5323%0.2331%0.306CS..EExtended strand (participates in β ladder)trans-117.1133.7-171.6-176.10000111.3V411 K415 F416 Y441 L473V409-V411 HydrophobicContact CG1-CG2 4.03Å; V409-K415 CarbonylContact C-O 3.54Å; V409-K415 VanDerWaalsContact CA-O 3.28Å; V409-K415 WeakPolarHBondContact CA-O 3.42Å; V409-F416 HydrophobicContact CG1-CD1 3.81Å; V409-F416 HydrophobicContact CG1-CE1 4.08Å; V409-Y441 HydrophobicContact CG2-CD1 4.39Å; V409-Y441 HydrophobicContact CG2-CD2 4.27Å; V409-Y441 HydrophobicContact CG2-CE1 3.65Å; V409-Y441 HydrophobicContact CG2-CE2 3.49Å; V409-Y441 VanDerWaalsContact CG2-CE2 3.49Å; V409-Y441 WeakPolarHBondContact CG2-OH 3.43Å; V409-L473 HydrophobicContact CG1-CD2 3.68Å
410N77.8Confident84.4Confident72 Ų7249.1 Ų49.139%0.38529%0.285SS..EExtended strand (participates in β ladder)trans-131.6104.1164.1179.2-14.2000108.1S412 G413 Q414 K415N410-S412 PolarHBondContact OD1-N 3.01Å; N410-S412 PolarHBondContact OD1-OG 2.92Å; N410-G413 CarbonylContact O-C 3.55Å; N410-G413 PolarHBondContact O-N 3.14Å; N410-G413 PolarHBondContact OD1-N 2.78Å; N410-Q414 PolarHBondContact O-N 3.27Å; N410-Q414 VanDerWaalsContact O-N 3.12Å; N410-K415 HydrophobicContact CB-CB 3.99Å; N410-K415 PolarHBondContact N-O 2.85Å; N410-K415 PolarHBondContact O-N 3.03Å
411V77.5Confident84.1Confident18 Ų1850.5 Ų50.511%0.10929%0.292CS..THydrogen-bonded Turntrans-64.8-42.4-176.3-176.70000111.4V409 G413 Q414 L473 Q476V409-V411 HydrophobicContact CG1-CG2 4.03Å; V411-G413 VanDerWaalsContact C-N 3.33Å; V411-G413 PolarHBondContact O-N 3.38Å; V411-Q414 PolarHBondContact O-N 3.33Å; V411-L473 HydrophobicContact CG2-CD2 3.77Å; V411-Q476 HydrophobicContact CG2-CB 4.32Å
412S71.6Confident84Confident115 Ų11545.1 Ų45.180%0.80427%0.269SS*.THydrogen-bonded Turntrans-69.4-32.4179.660.50000112.4N410N410-S412 PolarHBondContact OD1-N 3.01Å; N410-S412 PolarHBondContact OD1-OG 2.92Å
413G66.5Low83.9Confident46 Ų4645.8 Ų45.847%0.47426%0.264SS..THydrogen-bonded Turntrans-88.37.5175.500000115.5N410 V411 K415N410-G413 CarbonylContact O-C 3.55Å; N410-G413 PolarHBondContact O-N 3.14Å; N410-G413 PolarHBondContact OD1-N 2.78Å; V411-G413 VanDerWaalsContact C-N 3.33Å; V411-G413 PolarHBondContact O-N 3.38Å; G413-K415 PolarHBondContact O-N 2.77Å; G413-K415 VanDerWaalsContact O-N 3.11Å
414Q77.2Confident83.3Confident147 Ų14747.7 Ų47.769%0.68728%0.277SS*.THydrogen-bonded Turntrans47.538.1-174.3-62.3-171.1-27.400113.6N410 V411 F416N410-Q414 PolarHBondContact O-N 3.27Å; N410-Q414 VanDerWaalsContact O-N 3.12Å; V411-Q414 PolarHBondContact O-N 3.33Å; Q414-F416 HydrophobicContact CB-CE2 4.34Å
415K82.6Confident82.6Confident51 Ų5149.1 Ų49.122%0.22230%0.296CS..EExtended strand (participates in β ladder)trans-101.6113.5177.2-171.7-171.5178.5-164.20108.4D408 V409 N410 G413D408-K415 WeakPolarHBondContact OD1-CE 3.42Å; D408-K415 IonicContact OD1-NZ 3.48Å; D408-K415 PolarHBondContact OD1-NZ 3.31Å; D408-K415 WeakPolarHBondContact OD2-CE 3.48Å; D408-K415 IonicContact OD2-NZ 2.78Å; D408-K415 PolarHBondContact OD2-NZ 3.41Å; V409-K415 CarbonylContact C-O 3.54Å; V409-K415 VanDerWaalsContact CA-O 3.28Å; V409-K415 WeakPolarHBondContact CA-O 3.42Å; N410-K415 HydrophobicContact CB-CB 3.99Å; N410-K415 PolarHBondContact N-O 2.85Å; N410-K415 PolarHBondContact O-N 3.03Å; G413-K415 PolarHBondContact O-N 2.77Å; G413-K415 VanDerWaalsContact O-N 3.11Å
416F91Very high81.6Confident6 Ų657.1 Ų57.13%0.02633%0.332CS..EExtended strand (participates in β ladder)trans-124.581.8178.2-55.5-71.7000110.1V409 Q414 C435 E438 Y441V409-F416 HydrophobicContact CG1-CD1 3.81Å; V409-F416 HydrophobicContact CG1-CE1 4.08Å; Q414-F416 HydrophobicContact CB-CE2 4.34Å; F416-C435 HydrophobicContact CB-CB 4.05Å; F416-C435 PolarHBondContact O-N 3.38Å; F416-E438 HydrophobicContact CD1-CG 4.49Å; F416-E438 HydrophobicContact CE1-CB 4.38Å; F416-E438 HydrophobicContact CE1-CG 3.5Å; F416-E438 VanDerWaalsContact CE1-CG 3.5Å; F416-E438 HydrophobicContact CE2-CG 4.3Å; F416-E438 HydrophobicContact CZ-CB 4.43Å; F416-E438 HydrophobicContact CZ-CG 3.38Å; F416-Y441 HydrophobicContact CB-CD2 3.82Å; F416-Y441 HydrophobicContact CB-CG 3.89Å; F416-Y441 HydrophobicContact CD1-CG 4.23Å; F416-Y441 HydrophobicContact CG-CG 4.44Å
417C90.3Very high80.9Confident0 Ų056.7 Ų56.70%034%0.337CS..EExtended strand (participates in β ladder)trans-108.8143.2-177.2-70.10000112D408 L433D408-C417 CarbonylContact C-O 3.54Å; D408-C417 HydrophobicContact CB-CB 3.87Å; D408-C417 PolarHBondContact N-O 2.66Å; D408-C417 WeakPolarHBondContact O-CA 3.44Å; D408-C417 WeakPolarHBondContact O-CB 3.48Å; D408-C417 PolarHBondContact O-N 3.14Å; C417-L433 CarbonylContact C-O 3.59Å; C417-L433 VanDerWaalsContact CA-O 3.29Å; C417-L433 WeakPolarHBondContact CA-O 3.38Å
418I93.6Very high80.3Confident0 Ų059.1 Ų59.10%035%0.345CS..EExtended strand (participates in β ladder)trans-120.3120172.9-52.9164.8000107V405 L420 Y432 L433 Y441 W444 M445V405-I418 HydrophobicContact CG1-CG2 3.78Å; I418-L420 HydrophobicContact CG2-CD2 3.83Å; I418-L420 HydrophobicContact CG2-CG 4.37Å; I418-Y432 WeakPolarHBondContact O-CA 3.47Å; I418-L433 HydrophobicContact CB-CB 4.29Å; I418-L433 HydrophobicContact CB-CD1 4.47Å; I418-L433 PolarHBondContact N-O 3.36Å; I418-L433 PolarHBondContact O-N 2.92Å; I418-Y441 HydrophobicContact CD1-CD2 4.24Å; I418-Y441 HydrophobicContact CD1-CE2 4.3Å; I418-Y441 HydrophobicContact CG1-CD2 3.86Å; I418-Y441 HydrophobicContact CG1-CE2 3.56Å; I418-W444 HydrophobicContact CD1-CB 3.78Å; I418-M445 HydrophobicContact CB-SD 4.39Å; I418-M445 HydrophobicContact CD1-CB 3.97Å; I418-M445 HydrophobicContact CD1-SD 4.35Å; I418-M445 HydrophobicContact CG1-CB 4.33Å; I418-M445 HydrophobicContact CG1-SD 3.9Å; I418-M445 HydrophobicContact CG2-SD 3.77Å
419K89.7Confident80.2Confident51 Ų5157 Ų5722%0.22233%0.334CS..EExtended strand (participates in β ladder)trans-95.9127.4172.8168.2174.4165.2159.70109.1V406 E430 Y432V406-K419 HydrophobicContact CB-CB 4.21Å; V406-K419 HydrophobicContact CB-CG 4.5Å; V406-K419 PolarHBondContact N-O 3.47Å; V406-K419 PolarHBondContact O-N 3.03Å; K419-E430 WeakPolarHBondContact CE-OE1 3.22Å; K419-E430 IonicContact NZ-OE1 3.62Å; K419-E430 PolarHBondContact NZ-OE1 3.49Å; K419-Y432 HydrophobicContact CB-CD1 4.05Å; K419-Y432 HydrophobicContact CB-CE1 4.03Å; K419-Y432 HydrophobicContact CD-CE1 3.89Å; K419-Y432 HydrophobicContact CG-CD1 4.46Å; K419-Y432 HydrophobicContact CG-CE1 4.12Å
420L89.8Confident80.3Confident0 Ų057.6 Ų57.60%033%0.334CS..EExtended strand (participates in β ladder)trans-115.2128.5175.7-51.4175.4000109.9L381 L400 E404 V405 I418 V422 E430 I431 L433 C448L381-L420 HydrophobicContact CD1-CD1 4.2Å; L400-L420 HydrophobicContact CD1-CD1 3.95Å; L400-L420 HydrophobicContact CD2-CD1 3.94Å; E404-L420 WeakPolarHBondContact O-CA 3.42Å; V405-L420 HydrophobicContact CB-CD2 4.2Å; V405-L420 HydrophobicContact CG1-CD2 3.84Å; V405-L420 HydrophobicContact CG2-CD2 3.79Å; I418-L420 HydrophobicContact CG2-CD2 3.83Å; I418-L420 HydrophobicContact CG2-CG 4.37Å; L420-V422 HydrophobicContact CB-CG2 4.19Å; L420-E430 WeakPolarHBondContact O-CA 3.34Å; L420-I431 HydrophobicContact CB-CG2 3.64Å; L420-I431 HydrophobicContact CD1-CG2 3.99Å; L420-I431 HydrophobicContact CG-CG2 4.21Å; L420-I431 PolarHBondContact N-O 3.26Å; L420-I431 PolarHBondContact O-N 3.28Å; L420-L433 HydrophobicContact CD1-CD1 3.39Å; L420-L433 HydrophobicContact CG-CD1 3.93Å; L420-C448 HydrophobicContact CD2-CB 3.88Å
421L84.9Confident80.8Confident29 Ų2954.1 Ų54.115%0.15232%0.316CS..EExtended strand (participates in β ladder)trans-108.899171-61.6171.2000108.2C403 E404 M428 E430C403-L421 VanDerWaalsContact CA-O 3.24Å; C403-L421 WeakPolarHBondContact CA-O 3.44Å; C403-L421 VanDerWaalsContact CB-O 3.28Å; C403-L421 WeakPolarHBondContact CB-O 3.46Å; E404-L421 HydrophobicContact CB-CB 4.03Å; E404-L421 HydrophobicContact CB-CD1 4.22Å; E404-L421 PolarHBondContact N-O 3.32Å; E404-L421 PolarHBondContact O-N 3.03Å; E404-L421 WeakPolarHBondContact OE2-CD1 3.4Å; L421-M428 HydrophobicContact CB-CE 3.73Å; L421-M428 WeakPolarHBondContact O-CE 3.46Å; L421-E430 HydrophobicContact CD2-CB 3.9Å; L421-E430 HydrophobicContact CD2-CG 3.81Å
422V87.1Confident81.4Confident4 Ų455.5 Ų55.52%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-98.8120.3-172.8-1740000110.1L398 N399 L400 C403 L420 S424 S429L398-V422 HydrophobicContact CD1-CG2 4.39Å; L398-V422 HydrophobicContact CD2-CB 4.49Å; L398-V422 HydrophobicContact CD2-CG1 4.29Å; N399-V422 VanDerWaalsContact O-CG1 3.28Å; N399-V422 WeakPolarHBondContact O-CG1 3.31Å; L400-V422 HydrophobicContact CD2-CG2 3.7Å; C403-V422 HydrophobicContact CB-CB 4.46Å; C403-V422 HydrophobicContact CB-CG2 4.07Å; L420-V422 HydrophobicContact CB-CG2 4.19Å; V422-S424 PolarHBondContact O-N 3.45Å; V422-S429 PolarHBondContact N-O 2.96Å; V422-S429 PolarHBondContact O-N 3.46Å
423P79.3Confident82.4Confident69 Ų6950 Ų5045%0.44828%0.281SS..EExtended strand (participates in β ladder)trans-58.5129.5173.6-22.732.5000111.7G402 M428G402-P423 WeakPolarHBondContact O-CG 3.45Å; P423-M428 HydrophobicContact CB-SD 4.12Å; P423-M428 HydrophobicContact CG-CE 4.13Å; P423-M428 HydrophobicContact CG-SD 4.04Å
424S76.3Confident83.6Confident50 Ų5051.7 Ų51.735%0.3527%0.273SS..EExtended strand (participates in β ladder)trans-134.7153.5175.7166.70000110.1V422 E426 G427V422-S424 PolarHBondContact O-N 3.45Å; S424-E426 PolarHBondContact O-N 2.98Å; S424-G427 CarbonylContact C-O 3.6Å; S424-G427 WeakPolarHBondContact CA-O 3.27Å; S424-G427 WeakPolarHBondContact CB-O 3.5Å; S424-G427 PolarHBondContact N-O 3.26Å; S424-G427 CarbonylContact O-C 3.59Å; S424-G427 PolarHBondContact O-N 2.61Å; S424-G427 VanDerWaalsContact O-O 3.05Å
425P72.4Confident84.4Confident143 Ų14344.9 Ų44.993%0.92924%0.242SC*.THydrogen-bonded Turntrans-54.4-24175.8-26.334.7000114.4
426E70.6Confident84.7Confident192 Ų19248.3 Ų48.390%0.89726%0.259SS*.THydrogen-bonded Turntrans-92.43.3179.3-62.7170.8-179.100113.5S424S424-E426 PolarHBondContact O-N 2.98Å
427G70.6Confident84.7Confident40 Ų4051.3 Ų51.341%0.41228%0.275SS..EExtended strand (participates in β ladder)trans118.2-175.1-174.300000113.1S424 S429S424-G427 CarbonylContact C-O 3.6Å; S424-G427 WeakPolarHBondContact CA-O 3.27Å; S424-G427 WeakPolarHBondContact CB-O 3.5Å; S424-G427 PolarHBondContact N-O 3.26Å; S424-G427 CarbonylContact O-C 3.59Å; S424-G427 PolarHBondContact O-N 2.61Å; S424-G427 VanDerWaalsContact O-O 3.05Å; G427-S429 PolarHBondContact O-N 2.91Å
428M73.9Confident84.7Confident115 Ų11553.4 Ų53.457%0.56728%0.284SS*.EExtended strand (participates in β ladder)trans-69.7122.1176.5-64.3-61.9-73.400110.7L421 P423L421-M428 HydrophobicContact CB-CE 3.73Å; L421-M428 WeakPolarHBondContact O-CE 3.46Å; P423-M428 HydrophobicContact CB-SD 4.12Å; P423-M428 HydrophobicContact CG-CE 4.13Å; P423-M428 HydrophobicContact CG-SD 4.04Å
429S78.4Confident84.7Confident10 Ų1059.7 Ų59.77%0.0731%0.314CS..EExtended strand (participates in β ladder)trans-90.1114.5172.91770000110.2R360 V422 G427R360-S429 PolarHBondContact NH2-OG 2.92Å; V422-S429 PolarHBondContact N-O 2.96Å; V422-S429 PolarHBondContact O-N 3.46Å; G427-S429 PolarHBondContact O-N 2.91Å
430E84.7Confident85Confident51 Ų5157.6 Ų57.624%0.23831%0.305CS..EExtended strand (participates in β ladder)trans-91.4133.4177.1-175.1170.3-150.400111.8R360 P361 K419 L420 L421 Y432R360-E430 WeakPolarHBondContact CG-O 3.39Å; P361-E430 HydrophobicContact CG-CB 4.41Å; P361-E430 HydrophobicContact CG-CG 4.02Å; K419-E430 WeakPolarHBondContact CE-OE1 3.22Å; K419-E430 IonicContact NZ-OE1 3.62Å; K419-E430 PolarHBondContact NZ-OE1 3.49Å; L420-E430 WeakPolarHBondContact O-CA 3.34Å; L421-E430 HydrophobicContact CD2-CB 3.9Å; L421-E430 HydrophobicContact CD2-CG 3.81Å; E430-Y432 HydrophobicContact CG-CD2 4.32Å; E430-Y432 HydrophobicContact CG-CE2 3.67Å; E430-Y432 PolarHBondContact OE1-OH 2.93Å
431I89.3Confident85.3Confident0 Ų058 Ų580%031%0.306CS..EExtended strand (participates in β ladder)trans-142.9142.3175.2-173173000110.5I358 Y383 L398 L420I358-I431 HydrophobicContact CG2-CD1 3.75Å; I358-I431 HydrophobicContact CG2-CG1 3.8Å; Y383-I431 HydrophobicContact CD1-CD1 4.47Å; Y383-I431 HydrophobicContact CE1-CD1 3.81Å; L398-I431 HydrophobicContact CD1-CB 4.49Å; L398-I431 HydrophobicContact CD1-CD1 3.89Å; L398-I431 HydrophobicContact CD1-CG2 3.9Å; L420-I431 HydrophobicContact CB-CG2 3.64Å; L420-I431 HydrophobicContact CD1-CG2 3.99Å; L420-I431 HydrophobicContact CG-CG2 4.21Å; L420-I431 PolarHBondContact N-O 3.26Å; L420-I431 PolarHBondContact O-N 3.28Å
432Y90.3Very high85.8Confident47 Ų4756.6 Ų56.618%0.18430%0.299CS..EExtended strand (participates in β ladder)trans-116.1126.5178.2-65.4-104.2000109.9I358 F359 P361 I418 K419 E430I358-Y432 WeakPolarHBondContact CA-O 3.49Å; F359-Y432 AromaticContact CD1-CD2 3.62Å; F359-Y432 HydrophobicContact CD1-CD2 3.62Å; F359-Y432 HydrophobicContact CD1-CE2 4.13Å; F359-Y432 HydrophobicContact CD1-CG 4.07Å; F359-Y432 HydrophobicContact CE1-CD2 4.23Å; F359-Y432 HydrophobicContact CE1-CE2 4.3Å; F359-Y432 PolarHBondContact N-O 2.86Å; F359-Y432 PolarHBondContact O-N 3.02Å; P361-Y432 HydrophobicContact CG-CD2 4.1Å; P361-Y432 HydrophobicContact CG-CE2 3.53Å; I418-Y432 WeakPolarHBondContact O-CA 3.47Å; K419-Y432 HydrophobicContact CB-CD1 4.05Å; K419-Y432 HydrophobicContact CB-CE1 4.03Å; K419-Y432 HydrophobicContact CD-CE1 3.89Å; K419-Y432 HydrophobicContact CG-CD1 4.46Å; K419-Y432 HydrophobicContact CG-CE1 4.12Å; E430-Y432 HydrophobicContact CG-CD2 4.32Å; E430-Y432 HydrophobicContact CG-CE2 3.67Å; E430-Y432 PolarHBondContact OE1-OH 2.93Å
433L92.8Very high86.2Confident0 Ų060.8 Ų60.80%031%0.314CS..EExtended strand (participates in β ladder)trans-106.6122.6174.1-63.4144.1000108.3L356 I358 V374 L381 C417 I418 L420L356-L433 HydrophobicContact CD1-CB 4.41Å; L356-L433 HydrophobicContact CD1-CD2 3.63Å; I358-L433 HydrophobicContact CD1-CD2 4.31Å; I358-L433 HydrophobicContact CG1-CD2 4.11Å; V374-L433 HydrophobicContact CG1-CD2 4.5Å; L381-L433 HydrophobicContact CD1-CD1 3.84Å; L381-L433 HydrophobicContact CD1-CD2 4.01Å; C417-L433 CarbonylContact C-O 3.59Å; C417-L433 VanDerWaalsContact CA-O 3.29Å; C417-L433 WeakPolarHBondContact CA-O 3.38Å; I418-L433 HydrophobicContact CB-CB 4.29Å; I418-L433 HydrophobicContact CB-CD1 4.47Å; I418-L433 PolarHBondContact N-O 3.36Å; I418-L433 PolarHBondContact O-N 2.92Å; L420-L433 HydrophobicContact CD1-CD1 3.39Å; L420-L433 HydrophobicContact CG-CD1 3.93Å
434R91.9Very high87.1Confident80 Ų8057.5 Ų57.530%0.30229%0.293SS..EExtended strand (participates in β ladder)trans-110.1119174.4-179.7173.3-174.9176.84.6109.9R357 Y369R357-R434 HydrophobicContact CB-CB 4.02Å; R357-R434 PolarHBondContact N-O 2.97Å; R357-R434 VanDerWaalsContact N-O 3.07Å; R357-R434 PolarHBondContact O-N 2.95Å; Y369-R434 HydrophobicContact CD1-CB 3.93Å; Y369-R434 HydrophobicContact CE1-CB 3.56Å
435C92.9Very high88Confident5 Ų555.1 Ų55.13%0.03428%0.277CS..EExtended strand (participates in β ladder)trans-88.5161.9177.4-550000110.5L356 F416 Q440L356-C435 HydrophobicContact CD2-CB 4.48Å; F416-C435 HydrophobicContact CB-CB 4.05Å; F416-C435 PolarHBondContact O-N 3.38Å; C435-Q440 HydrophobicContact CB-CB 4.31Å; C435-Q440 HydrophobicContact CB-CG 4.15Å
436Q89.3Confident89.1Confident123 Ų12348.3 Ų48.358%0.57523%0.232SC*.SBendtrans-87.3-39.9-176.6-60.3-179.325.500112Y355Y355-Q436 PolarHBondContact O-NE2 3.39Å
437D91.2Very high90.2Very high68 Ų6839.2 Ų39.236%0.36419%0.19SC..SBendtrans-141.6171.6-174.861.355.8000112.3Q439 Q440 Y441D437-Q439 VanDerWaalsContact C-N 3.29Å; D437-Q439 PolarHBondContact O-N 2.95Å; D437-Q439 WeakPolarHBondContact OD1-CA 3.38Å; D437-Q439 WeakPolarHBondContact OD1-CB 3.27Å; D437-Q439 PolarHBondContact OD1-N 3.1Å; D437-Q440 PolarHBondContact O-N 3.44Å; D437-Q440 WeakPolarHBondContact OD1-CB 3.49Å; D437-Q440 PolarHBondContact OD1-N 3Å; D437-Y441 VanDerWaalsContact O-CB 3.31Å; D437-Y441 WeakPolarHBondContact O-CB 3.06Å; D437-Y441 PolarHBondContact O-N 3.37Å
438E90.6Very high91.4Very high44 Ų4437.4 Ų37.421%0.20617%0.171CC..Hα-helixtrans-59.7-36.6-179.1-64.6169.9-151.400112.2F416 A442 L473 R477F416-E438 HydrophobicContact CD1-CG 4.49Å; F416-E438 HydrophobicContact CE1-CB 4.38Å; F416-E438 HydrophobicContact CE1-CG 3.5Å; F416-E438 VanDerWaalsContact CE1-CG 3.5Å; F416-E438 HydrophobicContact CE2-CG 4.3Å; F416-E438 HydrophobicContact CZ-CB 4.43Å; F416-E438 HydrophobicContact CZ-CG 3.38Å; E438-A442 WeakPolarHBondContact O-CB 3.34Å; E438-A442 PolarHBondContact O-N 3.15Å; E438-L473 HydrophobicContact CB-CD1 4.1Å; E438-L473 HydrophobicContact CG-CD1 4.37Å; E438-R477 IonicContact OE1-CZ 3.58Å; E438-R477 IonicContact OE1-NH1 3.77Å; E438-R477 PolarHBondContact OE1-NH1 3.2Å; E438-R477 IonicContact OE1-NH2 3.7Å; E438-R477 IonicContact OE2-NH1 3.65Å
439Q93.5Very high92.3Very high132 Ų13235.8 Ų35.862%0.61716%0.159SC*.Hα-helixtrans-75.1-42-176.9-65.3-174.9-0.300112.2D437 R443 L470D437-Q439 VanDerWaalsContact C-N 3.29Å; D437-Q439 PolarHBondContact O-N 2.95Å; D437-Q439 WeakPolarHBondContact OD1-CA 3.38Å; D437-Q439 WeakPolarHBondContact OD1-CB 3.27Å; D437-Q439 PolarHBondContact OD1-N 3.1Å; Q439-R443 WeakPolarHBondContact O-CG 3.41Å; Q439-R443 PolarHBondContact O-N 2.92Å; Q439-R443 PolarHBondContact O-NE 3.46Å; Q439-L470 HydrophobicContact CG-CD2 4.46Å
440Q95.2Very high92.9Very high7 Ų735.6 Ų35.63%0.03316%0.157CC..Hα-helixtrans-62.5-48.8171.7-171.7178.867.200109.1L356 C435 D437 A442 R443 W444L356-Q440 HydrophobicContact CD2-CG 4.12Å; C435-Q440 HydrophobicContact CB-CB 4.31Å; C435-Q440 HydrophobicContact CB-CG 4.15Å; D437-Q440 PolarHBondContact O-N 3.44Å; D437-Q440 WeakPolarHBondContact OD1-CB 3.49Å; D437-Q440 PolarHBondContact OD1-N 3Å; Q440-A442 PolarHBondContact O-N 3.5Å; Q440-R443 PolarHBondContact O-N 3.31Å; Q440-W444 PolarHBondContact O-N 3.21Å
441Y95.6Very high93.3Very high8 Ų833.2 Ų33.23%0.03115%0.146CC..Hα-helixtrans-56.9-47.5177.7173-96000113.4P407 V409 F416 I418 D437 R443 W444 M445 I469 L473P407-Y441 VanDerWaalsContact CB-OH 3.26Å; P407-Y441 WeakPolarHBondContact CB-OH 3.31Å; V409-Y441 HydrophobicContact CG2-CD1 4.39Å; V409-Y441 HydrophobicContact CG2-CD2 4.27Å; V409-Y441 HydrophobicContact CG2-CE1 3.65Å; V409-Y441 HydrophobicContact CG2-CE2 3.49Å; V409-Y441 VanDerWaalsContact CG2-CE2 3.49Å; V409-Y441 WeakPolarHBondContact CG2-OH 3.43Å; F416-Y441 HydrophobicContact CB-CD2 3.82Å; F416-Y441 HydrophobicContact CB-CG 3.89Å; F416-Y441 HydrophobicContact CD1-CG 4.23Å; F416-Y441 HydrophobicContact CG-CG 4.44Å; I418-Y441 HydrophobicContact CD1-CD2 4.24Å; I418-Y441 HydrophobicContact CD1-CE2 4.3Å; I418-Y441 HydrophobicContact CG1-CD2 3.86Å; I418-Y441 HydrophobicContact CG1-CE2 3.56Å; D437-Y441 VanDerWaalsContact O-CB 3.31Å; D437-Y441 WeakPolarHBondContact O-CB 3.06Å; D437-Y441 PolarHBondContact O-N 3.37Å; Y441-R443 PolarHBondContact O-N 3.27Å; Y441-W444 PolarHBondContact O-N 3.13Å; Y441-M445 HydrophobicContact CE1-CB 4.24Å; Y441-M445 HydrophobicContact CE1-CG 4.41Å; Y441-M445 HydrophobicContact CE2-CB 4.24Å; Y441-M445 HydrophobicContact CE2-CG 4.49Å; Y441-M445 HydrophobicContact CE2-SD 4.5Å; Y441-M445 WeakPolarHBondContact O-CB 3.27Å; Y441-M445 PolarHBondContact O-N 3.08Å; Y441-I469 HydrophobicContact CD1-CG2 4.13Å; Y441-I469 HydrophobicContact CE1-CG2 3.79Å; Y441-L473 HydrophobicContact CD1-CD1 3.84Å; Y441-L473 HydrophobicContact CE1-CD1 4.22Å; Y441-L473 HydrophobicContact CE1-CD2 4.49Å
442A95.1Very high93.3Very high0 Ų034.4 Ų34.40%015%0.154CC..Hα-helixtrans-60.3-44.1-178.800000112.2E438 Q440 A446 V466 I469 L470E438-A442 WeakPolarHBondContact O-CB 3.34Å; E438-A442 PolarHBondContact O-N 3.15Å; Q440-A442 PolarHBondContact O-N 3.5Å; A442-A446 VanDerWaalsContact O-CB 3.26Å; A442-A446 WeakPolarHBondContact O-CB 3.43Å; A442-A446 PolarHBondContact O-N 2.85Å; A442-V466 HydrophobicContact CB-CG1 4.1Å; A442-I469 HydrophobicContact CB-CB 4.15Å; A442-I469 HydrophobicContact CB-CG2 3.82Å; A442-L470 HydrophobicContact CB-CD1 4.45Å; A442-L470 HydrophobicContact CB-CD2 3.72Å; A442-L470 HydrophobicContact CB-CG 3.68Å
443R96.8Very high93.3Very high92 Ų9238.7 Ų38.735%0.34717%0.174SC..Hα-helixtrans-61.4-50.4176.3-71.7-178.1-70.1158.2-0.1112L352 Q439 Q440 Y441 G447 Y462 V466L352-R443 HydrophobicContact CD1-CB 4.45Å; L352-R443 HydrophobicContact CD2-CB 4.38Å; Q439-R443 WeakPolarHBondContact O-CG 3.41Å; Q439-R443 PolarHBondContact O-N 2.92Å; Q439-R443 PolarHBondContact O-NE 3.46Å; Q440-R443 PolarHBondContact O-N 3.31Å; Y441-R443 PolarHBondContact O-N 3.27Å; R443-G447 PolarHBondContact O-N 3.3Å; R443-Y462 PolarHBondContact O-OH 2.99Å; R443-V466 HydrophobicContact CG-CG1 4.34Å
444W97.1Very high92.9Very high1 Ų140.6 Ų40.60%0.00419%0.193CC..Hα-helixtrans-69.3-38.1-177.3-78.685.4000112.7L352 D354 L356 V374 F376 L381 I418 Q440 Y441 G447 C448L352-W444 HydrophobicContact CB-CH2 4.32Å; L352-W444 HydrophobicContact CB-CZ2 3.96Å; L352-W444 HydrophobicContact CD1-CD2 4.35Å; L352-W444 HydrophobicContact CD1-CG 4.44Å; D354-W444 HydrophobicContact CB-CZ2 3.79Å; D354-W444 PolarHBondContact OD2-NE1 3.27Å; L356-W444 HydrophobicContact CD1-CD2 3.6Å; L356-W444 HydrophobicContact CD1-CE3 3.56Å; L356-W444 HydrophobicContact CD1-CG 4.29Å; L356-W444 HydrophobicContact CD1-CH2 3.87Å; L356-W444 HydrophobicContact CD1-CZ2 3.9Å; L356-W444 HydrophobicContact CD1-CZ3 3.68Å; L356-W444 HydrophobicContact CG-CZ2 4.33Å; V374-W444 HydrophobicContact CB-CH2 3.62Å; V374-W444 HydrophobicContact CB-CZ2 4.38Å; V374-W444 HydrophobicContact CB-CZ3 4.17Å; V374-W444 HydrophobicContact CG1-CH2 3.44Å; V374-W444 VanDerWaalsContact CG1-CH2 3.44Å; V374-W444 HydrophobicContact CG1-CZ3 3.54Å; F376-W444 HydrophobicContact CB-CE3 4.48Å; F376-W444 HydrophobicContact CB-CH2 3.99Å; F376-W444 HydrophobicContact CB-CZ3 3.72Å; L381-W444 HydrophobicContact CD1-CZ3 4.26Å; I418-W444 HydrophobicContact CD1-CB 3.78Å; Q440-W444 PolarHBondContact O-N 3.21Å; Y441-W444 PolarHBondContact O-N 3.13Å; W444-G447 PolarHBondContact O-N 3.24Å; W444-C448 WeakPolarHBondContact O-CB 3.5Å; W444-C448 PolarHBondContact O-N 3.14Å; W444-C448 PolarHBondContact O-SG 2.63Å
445M96.1Very high92.8Very high0 Ų041.3 Ų41.30%020%0.196CC..Hα-helixtrans-67.1-45.8177.2-175.966.5-177.900111.5V405 P407 I418 Y441 G447 C448 R449 I469V405-M445 HydrophobicContact CG1-CE 3.72Å; V405-M445 HydrophobicContact CG1-SD 3.73Å; P407-M445 HydrophobicContact CB-CE 3.78Å; P407-M445 HydrophobicContact CG-CE 4.14Å; I418-M445 HydrophobicContact CB-SD 4.39Å; I418-M445 HydrophobicContact CD1-CB 3.97Å; I418-M445 HydrophobicContact CD1-SD 4.35Å; I418-M445 HydrophobicContact CG1-CB 4.33Å; I418-M445 HydrophobicContact CG1-SD 3.9Å; I418-M445 HydrophobicContact CG2-SD 3.77Å; Y441-M445 HydrophobicContact CE1-CB 4.24Å; Y441-M445 HydrophobicContact CE1-CG 4.41Å; Y441-M445 HydrophobicContact CE2-CB 4.24Å; Y441-M445 HydrophobicContact CE2-CG 4.49Å; Y441-M445 HydrophobicContact CE2-SD 4.5Å; Y441-M445 WeakPolarHBondContact O-CB 3.27Å; Y441-M445 PolarHBondContact O-N 3.08Å; M445-G447 VanDerWaalsContact C-N 3.34Å; M445-G447 PolarHBondContact O-N 3Å; M445-C448 PolarHBondContact O-N 2.8Å; M445-R449 HydrophobicContact CE-CG 4.09Å; M445-R449 WeakPolarHBondContact O-CB 3.35Å; M445-R449 WeakPolarHBondContact O-CG 3.45Å; M445-R449 PolarHBondContact O-N 3.46Å; M445-I469 HydrophobicContact CB-CD1 4.01Å; M445-I469 HydrophobicContact CG-CD1 3.89Å
446A95.1Very high92.7Very high0 Ų043.5 Ų43.50%021%0.209CC..Hα-helixtrans-60.3-44.3175.300000111.4A442 R449 L450 Y462 E465 V466 I469A442-A446 VanDerWaalsContact O-CB 3.26Å; A442-A446 WeakPolarHBondContact O-CB 3.43Å; A442-A446 PolarHBondContact O-N 2.85Å; A446-R449 PolarHBondContact O-N 2.99Å; A446-L450 WeakPolarHBondContact O-CG 3.32Å; A446-L450 PolarHBondContact O-N 3.02Å; A446-Y462 HydrophobicContact CB-CD2 3.89Å; A446-Y462 HydrophobicContact CB-CE2 3.73Å; A446-E465 HydrophobicContact CB-CB 4.03Å; A446-E465 HydrophobicContact CB-CG 3.72Å; A446-V466 HydrophobicContact CB-CG2 3.52Å; A446-I469 HydrophobicContact CB-CD1 4.05Å
447G94.6Very high92.8Very high1 Ų138.3 Ų38.31%0.0119%0.185CC..Hα-helixtrans-60.2-47.217700000112.6F376 R443 W444 M445 L450 A451F376-G447 WeakPolarHBondContact CZ-O 3.26Å; R443-G447 PolarHBondContact O-N 3.3Å; W444-G447 PolarHBondContact O-N 3.24Å; M445-G447 VanDerWaalsContact C-N 3.34Å; M445-G447 PolarHBondContact O-N 3Å; G447-L450 PolarHBondContact O-N 3.14Å; G447-A451 WeakPolarHBondContact O-CB 3.46Å; G447-A451 PolarHBondContact O-N 3.25Å
448C94.6Very high92.5Very high1 Ų138.4 Ų38.41%0.00720%0.195CC..Hα-helixtrans-64-43.7177-66.20000112L400 V405 L420 W444 M445 L450 A451 S452L400-C448 HydrophobicContact CD1-CB 4.33Å; V405-C448 HydrophobicContact CG1-CB 3.87Å; V405-C448 HydrophobicContact CG2-CB 4.15Å; L420-C448 HydrophobicContact CD2-CB 3.88Å; W444-C448 WeakPolarHBondContact O-CB 3.5Å; W444-C448 PolarHBondContact O-N 3.14Å; W444-C448 PolarHBondContact O-SG 2.63Å; M445-C448 PolarHBondContact O-N 2.8Å; C448-L450 PolarHBondContact O-N 2.76Å; C448-A451 PolarHBondContact O-N 2.85Å; C448-S452 PolarHBondContact O-N 2.8Å
449R92.7Very high92.4Very high82 Ų8238.7 Ų38.731%0.30920%0.198SC..Hα-helixtrans-61-42.1177.3-80.8-176.8175.9178.74.1112.2V405 M445 A446 S452 E465V405-R449 HydrophobicContact CB-CG 4.43Å; V405-R449 HydrophobicContact CG1-CG 4.19Å; M445-R449 HydrophobicContact CE-CG 4.09Å; M445-R449 WeakPolarHBondContact O-CB 3.35Å; M445-R449 WeakPolarHBondContact O-CG 3.45Å; M445-R449 PolarHBondContact O-N 3.46Å; A446-R449 PolarHBondContact O-N 2.99Å; R449-S452 PolarHBondContact O-OG 2.73Å; R449-E465 WeakPolarHBondContact CD-OE1 3.2Å; R449-E465 IonicContact CZ-OE1 3.44Å; R449-E465 IonicContact NE-OE1 3.62Å; R449-E465 IonicContact NH1-OE1 3.02Å; R449-E465 PolarHBondContact NH1-OE1 2.56Å
450L92.2Very high91.9Very high5 Ų538 Ų383%0.02621%0.208CC..Hα-helixtrans-66.7-45.4176.4-73.9179.9000111.9A446 G447 C448 S452 K453 G454 R455 Y462A446-L450 WeakPolarHBondContact O-CG 3.32Å; A446-L450 PolarHBondContact O-N 3.02Å; G447-L450 PolarHBondContact O-N 3.14Å; C448-L450 PolarHBondContact O-N 2.76Å; L450-S452 VanDerWaalsContact C-N 3.29Å; L450-S452 PolarHBondContact O-N 2.97Å; L450-K453 CarbonylContact O-C 3.45Å; L450-K453 WeakPolarHBondContact O-CA 3.39Å; L450-K453 PolarHBondContact O-N 2.77Å; L450-G454 PolarHBondContact O-N 2.8Å; L450-R455 CarbonylContact C-O 3.52Å; L450-R455 HydrophobicContact CB-CB 4.27Å; L450-R455 HydrophobicContact CD2-CB 4.27Å; L450-R455 PolarHBondContact O-N 2.87Å; L450-Y462 HydrophobicContact CD1-CD2 3.88Å; L450-Y462 HydrophobicContact CD1-CG 4.18Å
451A92Very high91.5Very high1 Ų139 Ų391%0.00822%0.215CC..Hα-helixtrans-64.3-33.2179.200000113.2F376 T379 L400 K401 G447 C448 K453 G454 R455F376-A451 HydrophobicContact CE2-CB 4.13Å; F376-A451 HydrophobicContact CZ-CB 3.66Å; T379-A451 HydrophobicContact CG2-CB 4.05Å; L400-A451 HydrophobicContact CB-CB 3.92Å; K401-A451 WeakPolarHBondContact CA-O 3.27Å; G447-A451 WeakPolarHBondContact O-CB 3.46Å; G447-A451 PolarHBondContact O-N 3.25Å; C448-A451 PolarHBondContact O-N 2.85Å; A451-K453 PolarHBondContact O-N 3.31Å; A451-G454 PolarHBondContact O-N 2.96Å; A451-R455 VanDerWaalsContact CA-O 3.29Å; A451-R455 WeakPolarHBondContact CA-O 3.32Å; A451-R455 PolarHBondContact N-O 3.08Å
452S90.3Very high91.3Very high25 Ų2540.5 Ų40.518%0.17522%0.221CC..Hα-helixtrans-56-36.4171.476.40000113L400 G402 C403 C448 R449 L450 G454L400-S452 VanDerWaalsContact O-CA 3.29Å; L400-S452 WeakPolarHBondContact O-CA 3.39Å; G402-S452 PolarHBondContact N-O 3.14Å; C403-S452 VanDerWaalsContact O-CB 3.27Å; C403-S452 WeakPolarHBondContact O-CB 3.14Å; C448-S452 PolarHBondContact O-N 2.8Å; R449-S452 PolarHBondContact O-OG 2.73Å; L450-S452 VanDerWaalsContact C-N 3.29Å; L450-S452 PolarHBondContact O-N 2.97Å; S452-G454 VanDerWaalsContact C-N 3.3Å; S452-G454 PolarHBondContact O-N 3.03Å
453K89.1Confident91Very high138 Ų13843.6 Ų43.660%0.625%0.247SC*.THydrogen-bonded Turntrans-88.99.5177.3-60.8177.4-176.8176.30112.9L450 A451 R455L450-K453 CarbonylContact O-C 3.45Å; L450-K453 WeakPolarHBondContact O-CA 3.39Å; L450-K453 PolarHBondContact O-N 2.77Å; A451-K453 PolarHBondContact O-N 3.31Å; K453-R455 VanDerWaalsContact C-N 3.27Å; K453-R455 PolarHBondContact O-N 3.43Å
454G85.8Confident90.5Very high39 Ų3942.6 Ų42.640%0.40225%0.254SS..THydrogen-bonded Turntrans758.2-179.100000115.6L450 A451 S452L450-G454 PolarHBondContact O-N 2.8Å; A451-G454 PolarHBondContact O-N 2.96Å; S452-G454 VanDerWaalsContact C-N 3.3Å; S452-G454 PolarHBondContact O-N 3.03Å
455R89.3Confident90.2Very high96 Ų9645 Ų4536%0.36227%0.265SS..  trans-96.9155.6179.2-67.2-174-80.2162.3-5.2111.1L450 A451 K453 D459 S461L450-R455 CarbonylContact C-O 3.52Å; L450-R455 HydrophobicContact CB-CB 4.27Å; L450-R455 HydrophobicContact CD2-CB 4.27Å; L450-R455 PolarHBondContact O-N 2.87Å; A451-R455 VanDerWaalsContact CA-O 3.29Å; A451-R455 WeakPolarHBondContact CA-O 3.32Å; A451-R455 PolarHBondContact N-O 3.08Å; K453-R455 VanDerWaalsContact C-N 3.27Å; K453-R455 PolarHBondContact O-N 3.43Å; R455-D459 WeakPolarHBondContact CD-OD2 3.36Å; R455-D459 IonicContact NH1-OD2 2.92Å; R455-S461 PolarHBondContact NH1-OG 3.44Å
456T90.8Very high90Very high51 Ų5145.7 Ų45.731%0.31327%0.27SS..  trans-104.7168.5-178.873.80000111.1E378 T379 A458 D459E378-T456 HydrophobicContact CB-CG2 4.45Å; T379-T456 HydrophobicContact CG2-CG2 4.32Å; T456-A458 PolarHBondContact O-N 3.49Å; T456-A458 VanDerWaalsContact O-N 3.17Å; T456-A458 WeakPolarHBondContact OG1-CB 3.39Å; T456-A458 PolarHBondContact OG1-N 3.45Å; T456-D459 WeakPolarHBondContact O-CB 3.16Å; T456-D459 PolarHBondContact O-N 3.38Å; T456-D459 VanDerWaalsContact O-N 3.1Å
457M90.9Very high89.8Confident14 Ų1451.8 Ų51.87%0.06930%0.298CS..THydrogen-bonded Turntrans-67.8-6.8172.7-61.8-179.8-62.600113.8P350 L352 F376 Y462P350-M457 HydrophobicContact CB-CB 4.15Å; P350-M457 HydrophobicContact CB-CE 4.4Å; P350-M457 WeakPolarHBondContact O-CE 3.44Å; L352-M457 HydrophobicContact CB-CE 4.45Å; L352-M457 HydrophobicContact CB-SD 4.48Å; L352-M457 HydrophobicContact CD1-CE 4.41Å; L352-M457 HydrophobicContact CD1-SD 3.44Å; L352-M457 WeakPolarHBondContact CD1-SD 3.45Å; L352-M457 HydrophobicContact CG-CE 3.97Å; L352-M457 HydrophobicContact CG-SD 3.52Å; L352-M457 VanDerWaalsContact CG-SD 3.52Å; F376-M457 HydrophobicContact CD1-CE 3.52Å; F376-M457 HydrophobicContact CD1-CG 4.47Å; F376-M457 HydrophobicContact CD1-SD 3.62Å; F376-M457 HydrophobicContact CE1-CE 3.85Å; F376-M457 HydrophobicContact CE1-CG 3.93Å; F376-M457 HydrophobicContact CE1-SD 3.67Å; M457-Y462 HydrophobicContact CB-CD1 4.16Å; M457-Y462 HydrophobicContact CB-CD2 4.23Å; M457-Y462 HydrophobicContact CB-CE1 4.37Å; M457-Y462 HydrophobicContact CB-CE2 4.42Å; M457-Y462 HydrophobicContact CB-CG 4.09Å; M457-Y462 HydrophobicContact CG-CD2 3.96Å; M457-Y462 HydrophobicContact CG-CE2 3.88Å; M457-Y462 HydrophobicContact CG-CG 4.34Å; M457-Y462 HydrophobicContact SD-CE2 4.13Å
458A86.5Confident89.4Confident69 Ų6954.4 Ų54.457%0.5732%0.32SS*.THydrogen-bonded Turntrans-79.4-9171.900000112.5P350 T456P350-A458 HydrophobicContact CG-CB 3.9Å; T456-A458 PolarHBondContact O-N 3.49Å; T456-A458 VanDerWaalsContact O-N 3.17Å; T456-A458 WeakPolarHBondContact OG1-CB 3.39Å; T456-A458 PolarHBondContact OG1-N 3.45Å
459D86.8Confident89.1Confident51 Ų5154.9 Ų54.927%0.27332%0.322SS..SBendtrans-68.9137.7174.4-169.3-64.9000110.3R455 T456 S461 Y462R455-D459 WeakPolarHBondContact CD-OD2 3.36Å; R455-D459 IonicContact NH1-OD2 2.92Å; T456-D459 WeakPolarHBondContact O-CB 3.16Å; T456-D459 PolarHBondContact O-N 3.38Å; T456-D459 VanDerWaalsContact O-N 3.1Å; D459-S461 PolarHBondContact O-N 3.28Å; D459-S461 VanDerWaalsContact O-N 3.08Å; D459-S461 VanDerWaalsContact OD1-CB 3.27Å; D459-S461 WeakPolarHBondContact OD1-CB 3.19Å; D459-S461 PolarHBondContact OD1-N 2.98Å; D459-S461 PolarHBondContact OD1-OG 3.34Å; D459-Y462 WeakPolarHBondContact O-CB 3.14Å; D459-Y462 PolarHBondContact O-N 2.89Å
460S83.3Confident89.1Confident117 Ų11753 Ų5382%0.81832%0.318SS*.THydrogen-bonded Turntrans-60.1-21.8-179.355.80000113.2Y462S460-Y462 VanDerWaalsContact C-N 3.3Å; S460-Y462 PolarHBondContact O-N 3.42Å
461S88.3Confident88.8Confident28 Ų2855 Ų5520%0.19634%0.336CS..Hα-helixtrans-74.7-11.9175.663.40000114.7R455 D459 S464 E465R455-S461 PolarHBondContact NH1-OG 3.44Å; D459-S461 PolarHBondContact O-N 3.28Å; D459-S461 VanDerWaalsContact O-N 3.08Å; D459-S461 VanDerWaalsContact OD1-CB 3.27Å; D459-S461 WeakPolarHBondContact OD1-CB 3.19Å; D459-S461 PolarHBondContact OD1-N 2.98Å; D459-S461 PolarHBondContact OD1-OG 3.34Å; S461-S464 WeakPolarHBondContact CA-OG 3.31Å; S461-S464 PolarHBondContact O-OG 2.77Å; S461-E465 VanDerWaalsContact O-CB 3.32Å; S461-E465 WeakPolarHBondContact O-CB 3.39Å; S461-E465 PolarHBondContact O-N 2.85Å
462Y90.1Very high88.3Confident39 Ų3960.6 Ų60.615%0.15336%0.36CS..Hα-helixtrans-62.7-48.2178.3175.3-113.5000112R443 A446 L450 M457 D459 S460 S464 E465 V466R443-Y462 PolarHBondContact O-OH 2.99Å; A446-Y462 HydrophobicContact CB-CD2 3.89Å; A446-Y462 HydrophobicContact CB-CE2 3.73Å; L450-Y462 HydrophobicContact CD1-CD2 3.88Å; L450-Y462 HydrophobicContact CD1-CG 4.18Å; M457-Y462 HydrophobicContact CB-CD1 4.16Å; M457-Y462 HydrophobicContact CB-CD2 4.23Å; M457-Y462 HydrophobicContact CB-CE1 4.37Å; M457-Y462 HydrophobicContact CB-CE2 4.42Å; M457-Y462 HydrophobicContact CB-CG 4.09Å; M457-Y462 HydrophobicContact CG-CD2 3.96Å; M457-Y462 HydrophobicContact CG-CE2 3.88Å; M457-Y462 HydrophobicContact CG-CG 4.34Å; M457-Y462 HydrophobicContact SD-CE2 4.13Å; D459-Y462 WeakPolarHBondContact O-CB 3.14Å; D459-Y462 PolarHBondContact O-N 2.89Å; S460-Y462 VanDerWaalsContact C-N 3.3Å; S460-Y462 PolarHBondContact O-N 3.42Å; Y462-S464 PolarHBondContact O-N 3.01Å; Y462-E465 PolarHBondContact O-N 3.13Å; Y462-V466 HydrophobicContact CD2-CG2 4.28Å; Y462-V466 HydrophobicContact CE1-CG2 4.31Å; Y462-V466 HydrophobicContact CE2-CG2 3.85Å; Y462-V466 WeakPolarHBondContact O-CG2 3.38Å; Y462-V466 PolarHBondContact O-N 2.72Å
463A88.3Confident88Confident65 Ų6559.5 Ų59.554%0.53735%0.352SS..Hα-helixtrans-63.5-41.3-179.100000111.8V466 Q467A463-V466 PolarHBondContact O-N 2.85Å; A463-Q467 WeakPolarHBondContact O-CG 3.35Å; A463-Q467 PolarHBondContact O-N 3.16Å; A463-Q467 VanDerWaalsContact O-N 3.11Å
464S87.6Confident87.6Confident72 Ų7255.7 Ų55.750%0.50334%0.343SS..Hα-helixtrans-69.2-36.5177.9580000112.6S461 Y462 Q467 A468S461-S464 WeakPolarHBondContact CA-OG 3.31Å; S461-S464 PolarHBondContact O-OG 2.77Å; Y462-S464 PolarHBondContact O-N 3.01Å; S464-Q467 PolarHBondContact O-N 3.34Å; S464-A468 WeakPolarHBondContact O-CB 3.18Å; S464-A468 PolarHBondContact O-N 3Å
465E90.8Very high87.1Confident51 Ų5159.1 Ų59.124%0.23835%0.351CS..Hα-helixtrans-64-42174.3-172.776.4-168.200111.3A446 R449 S461 Y462 Q467 A468 I469A446-E465 HydrophobicContact CB-CB 4.03Å; A446-E465 HydrophobicContact CB-CG 3.72Å; R449-E465 WeakPolarHBondContact CD-OE1 3.2Å; R449-E465 IonicContact CZ-OE1 3.44Å; R449-E465 IonicContact NE-OE1 3.62Å; R449-E465 IonicContact NH1-OE1 3.02Å; R449-E465 PolarHBondContact NH1-OE1 2.56Å; S461-E465 VanDerWaalsContact O-CB 3.32Å; S461-E465 WeakPolarHBondContact O-CB 3.39Å; S461-E465 PolarHBondContact O-N 2.85Å; Y462-E465 PolarHBondContact O-N 3.13Å; E465-Q467 PolarHBondContact O-N 2.71Å; E465-A468 PolarHBondContact O-N 3.12Å; E465-I469 HydrophobicContact CG-CD1 4.12Å; E465-I469 VanDerWaalsContact O-CG1 3.27Å; E465-I469 WeakPolarHBondContact O-CG1 3.41Å; E465-I469 PolarHBondContact O-N 2.74Å
466V91.9Very high86Confident15 Ų1559.1 Ų59.19%0.09136%0.355CS..Hα-helixtrans-60.1-46.31751730000110.8A442 R443 A446 Y462 A463 I469 L470A442-V466 HydrophobicContact CB-CG1 4.1Å; R443-V466 HydrophobicContact CG-CG1 4.34Å; A446-V466 HydrophobicContact CB-CG2 3.52Å; Y462-V466 HydrophobicContact CD2-CG2 4.28Å; Y462-V466 HydrophobicContact CE1-CG2 4.31Å; Y462-V466 HydrophobicContact CE2-CG2 3.85Å; Y462-V466 WeakPolarHBondContact O-CG2 3.38Å; Y462-V466 PolarHBondContact O-N 2.72Å; A463-V466 PolarHBondContact O-N 2.85Å; V466-I469 PolarHBondContact O-N 3Å; V466-L470 HydrophobicContact CG1-CD1 4.07Å; V466-L470 WeakPolarHBondContact O-CG 3.33Å; V466-L470 PolarHBondContact O-N 3.23Å
467Q89.3Confident84.6Confident127 Ų12764.8 Ų64.859%0.59337%0.371SS*.Hα-helixtrans-64.5-40.8178.2-67.3-59.1-30.300112.2A463 S464 E465 I469 L470 A471A463-Q467 WeakPolarHBondContact O-CG 3.35Å; A463-Q467 PolarHBondContact O-N 3.16Å; A463-Q467 VanDerWaalsContact O-N 3.11Å; S464-Q467 PolarHBondContact O-N 3.34Å; E465-Q467 PolarHBondContact O-N 2.71Å; Q467-I469 VanDerWaalsContact C-N 3.33Å; Q467-I469 PolarHBondContact O-N 2.78Å; Q467-L470 PolarHBondContact O-N 3.17Å; Q467-A471 WeakPolarHBondContact O-CB 3.38Å; Q467-A471 PolarHBondContact O-N 3.48Å
468A87.1Confident82.8Confident57 Ų5769 Ų6947%0.47140%0.397SS..Hα-helixtrans-61.5-41.3176.200000111.9S464 E465 F472S464-A468 WeakPolarHBondContact O-CB 3.18Å; S464-A468 PolarHBondContact O-N 3Å; E465-A468 PolarHBondContact O-N 3.12Å; A468-F472 WeakPolarHBondContact O-CB 3.2Å; A468-F472 PolarHBondContact O-N 2.86Å
469I89.3Confident80.9Confident10 Ų1069.2 Ų69.25%0.05141%0.407CS..Hα-helixtrans-65.8-44.8176.5-65.9165.2000110.8Y441 A442 M445 A446 E465 V466 Q467 A471 F472 L473Y441-I469 HydrophobicContact CD1-CG2 4.13Å; Y441-I469 HydrophobicContact CE1-CG2 3.79Å; A442-I469 HydrophobicContact CB-CB 4.15Å; A442-I469 HydrophobicContact CB-CG2 3.82Å; M445-I469 HydrophobicContact CB-CD1 4.01Å; M445-I469 HydrophobicContact CG-CD1 3.89Å; A446-I469 HydrophobicContact CB-CD1 4.05Å; E465-I469 HydrophobicContact CG-CD1 4.12Å; E465-I469 VanDerWaalsContact O-CG1 3.27Å; E465-I469 WeakPolarHBondContact O-CG1 3.41Å; E465-I469 PolarHBondContact O-N 2.74Å; V466-I469 PolarHBondContact O-N 3Å; Q467-I469 VanDerWaalsContact C-N 3.33Å; Q467-I469 PolarHBondContact O-N 2.78Å; I469-A471 PolarHBondContact O-N 2.69Å; I469-F472 PolarHBondContact O-N 3.48Å; I469-L473 HydrophobicContact CG2-CD1 4.04Å; I469-L473 HydrophobicContact CG2-CG 4.42Å; I469-L473 VanDerWaalsContact O-CG 3.27Å; I469-L473 WeakPolarHBondContact O-CG 3.24Å; I469-L473 PolarHBondContact O-N 2.97Å
470L90.9Very high78.8Confident42 Ų4270.2 Ų70.222%0.2243%0.429CS..Hα-helixtrans-62.3-43.1177.2-72170.9000112.2Q439 A442 V466 Q467 F472 L473 S474Q439-L470 HydrophobicContact CG-CD2 4.46Å; A442-L470 HydrophobicContact CB-CD1 4.45Å; A442-L470 HydrophobicContact CB-CD2 3.72Å; A442-L470 HydrophobicContact CB-CG 3.68Å; V466-L470 HydrophobicContact CG1-CD1 4.07Å; V466-L470 WeakPolarHBondContact O-CG 3.33Å; V466-L470 PolarHBondContact O-N 3.23Å; Q467-L470 PolarHBondContact O-N 3.17Å; L470-F472 VanDerWaalsContact C-N 3.34Å; L470-F472 PolarHBondContact O-N 2.97Å; L470-L473 PolarHBondContact O-N 3.47Å; L470-S474 PolarHBondContact O-N 3.39Å
471A86.9Confident76.5Confident49 Ų4967.7 Ų67.741%0.40542%0.422SS..Hα-helixtrans-60.4-44.817600000111.3Q467 I469 L473 S474 L475Q467-A471 WeakPolarHBondContact O-CB 3.38Å; Q467-A471 PolarHBondContact O-N 3.48Å; I469-A471 PolarHBondContact O-N 2.69Å; A471-L473 PolarHBondContact O-N 3.22Å; A471-S474 PolarHBondContact O-N 3.02Å; A471-S474 PolarHBondContact O-OG 2.99Å; A471-L475 PolarHBondContact O-N 3.43Å
472F82.3Confident73.9Confident118 Ų11869.6 Ų69.652%0.51845%0.446SS..Hα-helixtrans-60.8-43.5176.1-179.8-98.4000112.7A468 I469 L470 S474 L475 Q476A468-F472 WeakPolarHBondContact O-CB 3.2Å; A468-F472 PolarHBondContact O-N 2.86Å; I469-F472 PolarHBondContact O-N 3.48Å; L470-F472 VanDerWaalsContact C-N 3.34Å; L470-F472 PolarHBondContact O-N 2.97Å; F472-S474 VanDerWaalsContact C-N 3.3Å; F472-S474 PolarHBondContact O-N 3.22Å; F472-L475 PolarHBondContact O-N 3.46Å; F472-Q476 HydrophobicContact CE1-CG 4.27Å; F472-Q476 HydrophobicContact CZ-CG 4.37Å; F472-Q476 PolarHBondContact O-N 3.38Å; F472-Q476 VanDerWaalsContact O-N 3.15Å
473L83.8Confident71.5Confident2 Ų274.7 Ų74.71%0.0148%0.483CS..Hα-helixtrans-64.2-35.2176.7-65.9171.1000112.2V409 V411 E438 Y441 I469 L470 A471V409-L473 HydrophobicContact CG1-CD2 3.68Å; V411-L473 HydrophobicContact CG2-CD2 3.77Å; E438-L473 HydrophobicContact CB-CD1 4.1Å; E438-L473 HydrophobicContact CG-CD1 4.37Å; Y441-L473 HydrophobicContact CD1-CD1 3.84Å; Y441-L473 HydrophobicContact CE1-CD1 4.22Å; Y441-L473 HydrophobicContact CE1-CD2 4.49Å; I469-L473 HydrophobicContact CG2-CD1 4.04Å; I469-L473 HydrophobicContact CG2-CG 4.42Å; I469-L473 VanDerWaalsContact O-CG 3.27Å; I469-L473 WeakPolarHBondContact O-CG 3.24Å; I469-L473 PolarHBondContact O-N 2.97Å; L470-L473 PolarHBondContact O-N 3.47Å; A471-L473 PolarHBondContact O-N 3.22Å
474S80.4Confident69Low57 Ų5774.8 Ų74.840%0.39949%0.491SS..Hα-helixtrans-69-37176770000112.9L470 A471 F472 R477 T478L470-S474 PolarHBondContact O-N 3.39Å; A471-S474 PolarHBondContact O-N 3.02Å; A471-S474 PolarHBondContact O-OG 2.99Å; F472-S474 VanDerWaalsContact C-N 3.3Å; F472-S474 PolarHBondContact O-N 3.22Å; S474-R477 WeakPolarHBondContact O-CB 3.49Å; S474-R477 PolarHBondContact O-N 3.45Å; S474-R477 VanDerWaalsContact O-N 3.1Å; S474-T478 PolarHBondContact O-N 3.35Å
475L75.1Confident66.3Low112 Ų11278.6 Ų78.659%0.58651%0.506SS*.Hα-helixtrans-67.9-35.9176.9-76.6166.9000112.4A471 F472 R477 T478 G479A471-L475 PolarHBondContact O-N 3.43Å; F472-L475 PolarHBondContact O-N 3.46Å; L475-R477 PolarHBondContact O-N 2.76Å; L475-T478 WeakPolarHBondContact CA-OG1 3.35Å; L475-T478 PolarHBondContact O-N 3.15Å; L475-T478 VanDerWaalsContact O-N 3.14Å; L475-T478 PolarHBondContact O-OG1 2.95Å; L475-T478 VanDerWaalsContact O-OG1 3.13Å; L475-G479 PolarHBondContact O-N 2.89Å
476Q65.5Low63.4Low96 Ų9685 Ų8545%0.44954%0.535SS..Hα-helixtrans-65.3-18.4172.6-71.2-167.1-20.600113V411 F472V411-Q476 HydrophobicContact CG2-CB 4.32Å; F472-Q476 HydrophobicContact CE1-CG 4.27Å; F472-Q476 HydrophobicContact CZ-CG 4.37Å; F472-Q476 PolarHBondContact O-N 3.38Å; F472-Q476 VanDerWaalsContact O-N 3.15Å
477R61.7Low60.7Low170 Ų17090 Ų9064%0.64257%0.568SS**Hα-helixtrans-80.9-31.9174.1-143.2178.9-162.9140.36.9112.2E438 S474 L475E438-R477 IonicContact OE1-CZ 3.58Å; E438-R477 IonicContact OE1-NH1 3.77Å; E438-R477 PolarHBondContact OE1-NH1 3.2Å; E438-R477 IonicContact OE1-NH2 3.7Å; E438-R477 IonicContact OE2-NH1 3.65Å; S474-R477 WeakPolarHBondContact O-CB 3.49Å; S474-R477 PolarHBondContact O-N 3.45Å; S474-R477 VanDerWaalsContact O-N 3.1Å; L475-R477 PolarHBondContact O-N 2.76Å
478T53.6Low57.9Low101 Ų10192.5 Ų92.562%0.6258%0.579SS**Hα-helixtrans-96.4-25.8-175.5520000113.6S474 L475 G480S474-T478 PolarHBondContact O-N 3.35Å; L475-T478 WeakPolarHBondContact CA-OG1 3.35Å; L475-T478 PolarHBondContact O-N 3.15Å; L475-T478 VanDerWaalsContact O-N 3.14Å; L475-T478 PolarHBondContact O-OG1 2.95Å; L475-T478 VanDerWaalsContact O-OG1 3.13Å; T478-G480 PolarHBondContact O-N 3.13Å
479G45.9Very low55.4Low75 Ų7592.3 Ų92.377%0.77358%0.583SS**THydrogen-bonded Turntrans-72.7-0.1176.800000115.5L475L475-G479 PolarHBondContact O-N 2.89Å
480G43.5Very low53Low72 Ų7298.2 Ų98.274%0.74262%0.622SS**THydrogen-bonded Turntrans-105.210-173.400000116.7T478T478-G480 PolarHBondContact O-N 3.13Å
481G34.8Very low50.1Low64 Ų64104 Ų10466%0.6665%0.653SS**  trans-165.8101.7-17800000115.8
482G32.9Very low47.6Very low68 Ų68106 Ų10670%0.70167%0.67SS**  trans-72.2144.3154.100000110.3G484G482-G484 PolarHBondContact O-N 2.97Å
483P40.5Very low45.5Very low145 Ų145104.6 Ų104.694%0.94268%0.675SS**SBendtrans-78.893.5-174.330.9-31.4000110
484G35.5Very low43.4Very low67 Ų67109.4 Ų109.469%0.69172%0.715SS**SBendtrans179.228.9-179.400000115.8G482G482-G484 PolarHBondContact O-N 2.97Å
485N31.2Very low41.6Very low153 Ų153115.1 Ų115.182%0.81874%0.735SS**  trans-171.1116.6155.3-114.5-5.7000107.7P487N485-P487 VanDerWaalsContact O-CD 3.22Å; N485-P487 WeakPolarHBondContact O-CD 3.5Å
486H30.1Very low40.7Very low184 Ų184113.2 Ų113.285%0.85274%0.743SS**  trans-59.6118.9161.1-86.8-71000107.8Q488H486-Q488 PolarHBondContact O-N 3.4Å; H486-Q488 VanDerWaalsContact O-N 3.11Å
487P35.2Very low40.8Very low120 Ų120110.4 Ų110.478%0.77973%0.73SS**  trans-72.4105.1155.58.99.3000104.7N485N485-P487 VanDerWaalsContact O-CD 3.22Å; N485-P487 WeakPolarHBondContact O-CD 3.5Å
488Q30.6Very low41.7Very low180 Ų180106.1 Ų106.184%0.84172%0.721SS**  trans-47.6144154.5-76.8171.6-16.400107.8H486H486-Q488 PolarHBondContact O-N 3.4Å; H486-Q488 VanDerWaalsContact O-N 3.11Å
489G33.3Very low43.2Very low53 Ų53101.5 Ų101.555%0.54669%0.692SS.*SBendtrans-51171.317300000112.1D491G489-D491 PolarHBondContact O-N 2.85Å
490P40Very low45.2Very low135 Ų135101.1 Ų101.188%0.87767%0.668SS**SBendtrans-70.279.1-170.531.6-34.8000111.6
491D30.2Very low47.4Very low162 Ų16297.8 Ų97.887%0.86663%0.633SS**  trans-113.136.5161.7-86.1-25.5000109.3G489 S493G489-D491 PolarHBondContact O-N 2.85Å; D491-S493 PolarHBondContact O-N 3.44Å
492A34.3Very low50.2Low93 Ų9394.9 Ų94.977%0.76960%0.603SS**SBendtrans-88.882.4158.400000108
493S36.3Very low53.2Low88 Ų8891.7 Ų91.762%0.61557%0.57SS**  trans31.387.216354.30000117.1D491 E495D491-S493 PolarHBondContact O-N 3.44Å; S493-E495 PolarHBondContact O-N 3.25Å
494A40.2Very low55.8Low102 Ų10284.8 Ų84.884%0.84353%0.525SS*.  trans-645.3151.200000113G496A494-G496 PolarHBondContact O-N 3.02Å
495E43.3Very low58.5Low177 Ų17781.6 Ų81.683%0.82749%0.492SS*.THydrogen-bonded Turntrans-81.389.7175.8-69175.7153.700109.6S493S493-E495 PolarHBondContact O-N 3.25Å
496G57Low61.4Low72 Ų7278.1 Ų78.174%0.74247%0.467SS*.THydrogen-bonded Turntrans155.9-17.5167.900000116.3A494 N498A494-G496 PolarHBondContact O-N 3.02Å; G496-N498 PolarHBondContact O-N 3.49Å
497L67.3Low64.4Low37 Ų3769.9 Ų69.919%0.19443%0.429CS..  trans-72.1105.8177.6-173.873.6000110Y299 P499 L502 T517 L521Y299-L497 HydrophobicContact CD2-CD1 3.26Å; Y299-L497 HydrophobicContact CE2-CD1 3.58Å; Y299-L497 HydrophobicContact CG-CD1 3.86Å; L497-P499 WeakPolarHBondContact O-CD 3.38Å; L497-L502 HydrophobicContact CD1-CD1 3.72Å; L497-T517 HydrophobicContact CD2-CG2 3.97Å; L497-L521 HydrophobicContact CD2-CD2 4.33Å; L497-L521 HydrophobicContact CD2-CG 4.4Å
498N80.9Confident67Low81 Ų8164.9 Ų64.943%0.43340%0.395SS..  trans-90.497.9166.6-172.9-10000109.6P207 G496 Y500 G501P207-N498 WeakPolarHBondContact CG-ND2 3.47Å; G496-N498 PolarHBondContact O-N 3.49Å; N498-Y500 PolarHBondContact O-N 2.84Å; N498-Y500 VanDerWaalsContact O-N 3.16Å; N498-Y500 PolarHBondContact OD1-N 3.35Å; N498-G501 PolarHBondContact O-N 3.14Å
499P84.7Confident69.8Low4 Ų465 Ų653%0.02639%0.388CS..G310 helixtrans-65.9-22.1-174.129.6-37.9000112.6L497 G501 L502 A513 L516 I520L497-P499 WeakPolarHBondContact O-CD 3.38Å; P499-G501 VanDerWaalsContact C-N 3.29Å; P499-G501 PolarHBondContact O-N 3.5Å; P499-L502 PolarHBondContact O-N 3.3Å; P499-A513 HydrophobicContact CG-CB 3.76Å; P499-L516 HydrophobicContact CB-CB 3.78Å; P499-L516 HydrophobicContact CB-CD1 4.44Å; P499-L516 HydrophobicContact CG-CB 4.14Å; P499-I520 HydrophobicContact CB-CD1 3.67Å
500Y88Confident72.6Confident66 Ų6668.9 Ų68.926%0.25939%0.39SS..G310 helixtrans-70-25.6-178-60.9-45.6000112.9N498 L502 Q508 A513 L516N498-Y500 PolarHBondContact O-N 2.84Å; N498-Y500 VanDerWaalsContact O-N 3.16Å; N498-Y500 PolarHBondContact OD1-N 3.35Å; Y500-L502 PolarHBondContact O-N 2.68Å; Y500-Q508 HydrophobicContact CD1-CB 3.81Å; Y500-Q508 HydrophobicContact CD1-CG 3.79Å; Y500-Q508 HydrophobicContact CE1-CB 4.22Å; Y500-Q508 HydrophobicContact CG-CG 4.31Å; Y500-Q508 PolarHBondContact O-NE2 3.06Å; Y500-A513 HydrophobicContact CD2-CB 4.49Å; Y500-A513 HydrophobicContact CE1-CB 4.2Å; Y500-A513 HydrophobicContact CE2-CB 3.76Å; Y500-A513 PolarHBondContact OH-N 2.86Å; Y500-L516 HydrophobicContact CD1-CD1 3.86Å; Y500-L516 HydrophobicContact CE1-CD1 3.79Å
501G88.7Confident75Confident2 Ų263.8 Ų63.82%0.02135%0.354CS..G310 helixtrans-73.8-12.617500000113.4P205 N498 P499P205-G501 WeakPolarHBondContact CD-O 3.26Å; N498-G501 PolarHBondContact O-N 3.14Å; P499-G501 VanDerWaalsContact C-N 3.29Å; P499-G501 PolarHBondContact O-N 3.5Å
502L94.4Very high77.9Confident4 Ų463.3 Ų63.32%0.02134%0.344CS..THydrogen-bonded Turntrans-105.6-9.8-172.9-57173.5000113.2P204 A295 Q298 L497 P499 Y500P204-L502 HydrophobicContact CB-CD2 3.9Å; P204-L502 HydrophobicContact CG-CD2 3.58Å; A295-L502 HydrophobicContact CB-CB 3.87Å; Q298-L502 HydrophobicContact CB-CD2 3.79Å; Q298-L502 PolarHBondContact NE2-O 2.82Å; L497-L502 HydrophobicContact CD1-CD1 3.72Å; P499-L502 PolarHBondContact O-N 3.3Å; Y500-L502 PolarHBondContact O-N 2.68Å
503V95.7Very high80.4Confident0 Ų060.2 Ų60.20%032%0.319CS..SBendtrans-126.5148.5-176.9-57.80000111.5M291 M292 A295 F507 Q508 L516 I520M291-V503 HydrophobicContact CG-CB 4.05Å; M291-V503 HydrophobicContact CG-CG1 3.9Å; M291-V503 HydrophobicContact SD-CB 4.13Å; M291-V503 HydrophobicContact SD-CG1 4.21Å; M292-V503 HydrophobicContact CE-CG1 4.25Å; A295-V503 HydrophobicContact CB-CG1 3.81Å; V503-F507 HydrophobicContact CB-CB 4.21Å; V503-F507 HydrophobicContact CG2-CB 4.15Å; V503-Q508 HydrophobicContact CG2-CG 3.76Å; V503-Q508 PolarHBondContact O-NE2 3.4Å; V503-L516 HydrophobicContact CG2-CD1 4.17Å; V503-I520 HydrophobicContact CG1-CD1 4.38Å
504A94.7Very high82.9Confident0 Ų065 Ų650%033%0.329CS..  trans-60.2148.7177.200000112.3E282 M291 R506 F507 Q508E282-A504 HydrophobicContact CG-CB 3.85Å; M291-A504 HydrophobicContact CE-CB 3.75Å; A504-R506 VanDerWaalsContact C-N 3.26Å; A504-R506 PolarHBondContact O-N 3.45Å; A504-R506 VanDerWaalsContact O-N 3.09Å; A504-F507 HydrophobicContact CB-CD2 4.01Å; A504-F507 HydrophobicContact CB-CE2 4.4Å; A504-F507 PolarHBondContact O-N 3.34Å; A504-Q508 PolarHBondContact O-N 3.12Å
505P92.3Very high85.2Confident0 Ų065 Ų650%031%0.311CS..Hα-helixtrans-54.1-32.5-174.9-28.835.3000115.5L210 Q211 L280 F507 Q508 R509L210-P505 HydrophobicContact CG-CG 4.19Å; Q211-P505 HydrophobicContact CG-CB 4.42Å; L280-P505 WeakPolarHBondContact O-CD 3.32Å; P505-F507 VanDerWaalsContact C-N 3.26Å; P505-F507 PolarHBondContact O-N 3.22Å; P505-Q508 WeakPolarHBondContact O-CB 3.31Å; P505-Q508 PolarHBondContact O-N 2.92Å; P505-R509 WeakPolarHBondContact O-CG 3.5Å; P505-R509 PolarHBondContact O-N 3.16Å
506R92Very high87.5Confident80 Ų8056.6 Ų56.630%0.30227%0.272SS..Hα-helixtrans-59.4-34.3175.169.4-172.2-176.6160.90.4113.5E282 D285 C286 A504 R509 K510E282-R506 WeakPolarHBondContact OE1-CB 3.39Å; E282-R506 WeakPolarHBondContact OE1-CG 3.39Å; E282-R506 PolarHBondContact OE1-N 3.08Å; D285-R506 IonicContact OD1-CZ 2.72Å; D285-R506 IonicContact OD1-NH1 3.13Å; D285-R506 PolarHBondContact OD1-NH1 3.22Å; D285-R506 IonicContact OD1-NH2 2.73Å; C286-R506 PolarHBondContact O-NH2 3.26Å; A504-R506 VanDerWaalsContact C-N 3.26Å; A504-R506 PolarHBondContact O-N 3.45Å; A504-R506 VanDerWaalsContact O-N 3.09Å; R506-R509 PolarHBondContact O-N 3.14Å; R506-K510 PolarHBondContact O-N 2.85Å
507F92.8Very high89.1Confident11 Ų1154.9 Ų54.95%0.04825%0.247CC..Hα-helixtrans-78-31.8177.3-62.3-71.2000111.9E288 M291 V503 A504 P505 R509 K510 F511E288-F507 HydrophobicContact CB-CE1 4.09Å; E288-F507 HydrophobicContact CG-CE1 4.32Å; M291-F507 HydrophobicContact CB-CD2 4.18Å; M291-F507 HydrophobicContact CB-CE1 4.49Å; M291-F507 HydrophobicContact CB-CE2 3.73Å; M291-F507 HydrophobicContact CB-CZ 3.9Å; M291-F507 HydrophobicContact CE-CD2 3.86Å; M291-F507 HydrophobicContact CE-CE2 3.54Å; M291-F507 HydrophobicContact CG-CD2 3.6Å; M291-F507 HydrophobicContact CG-CE2 3.62Å; M291-F507 HydrophobicContact CG-CG 4.19Å; M291-F507 HydrophobicContact CG-CZ 4.25Å; M291-F507 HydrophobicContact SD-CD2 4.4Å; M291-F507 HydrophobicContact SD-CE2 4.4Å; V503-F507 HydrophobicContact CB-CB 4.21Å; V503-F507 HydrophobicContact CG2-CB 4.15Å; A504-F507 HydrophobicContact CB-CD2 4.01Å; A504-F507 HydrophobicContact CB-CE2 4.4Å; A504-F507 PolarHBondContact O-N 3.34Å; P505-F507 VanDerWaalsContact C-N 3.26Å; P505-F507 PolarHBondContact O-N 3.22Å; F507-R509 VanDerWaalsContact C-N 3.27Å; F507-R509 PolarHBondContact O-N 3.4Å; F507-K510 PolarHBondContact O-N 3.11Å; F507-F511 HydrophobicContact CD1-CE2 4.45Å; F507-F511 PolarHBondContact O-N 3.01Å
508Q90.3Very high90.3Very high16 Ų1656.6 Ų56.68%0.07526%0.26CS..Hα-helixtrans-63.7-34.7172-50.5174.415.500111.7Y500 V503 A504 P505 F511Y500-Q508 HydrophobicContact CD1-CB 3.81Å; Y500-Q508 HydrophobicContact CD1-CG 3.79Å; Y500-Q508 HydrophobicContact CE1-CB 4.22Å; Y500-Q508 HydrophobicContact CG-CG 4.31Å; Y500-Q508 PolarHBondContact O-NE2 3.06Å; V503-Q508 HydrophobicContact CG2-CG 3.76Å; V503-Q508 PolarHBondContact O-NE2 3.4Å; A504-Q508 PolarHBondContact O-N 3.12Å; P505-Q508 WeakPolarHBondContact O-CB 3.31Å; P505-Q508 PolarHBondContact O-N 2.92Å; Q508-F511 VanDerWaalsContact O-O 3.13Å
509R89.4Confident90.8Very high183 Ų18355.7 Ų55.769%0.69125%0.251SS*.Hα-helixtrans-73.3-32.7175.6-66.5172.3-171.8-175.6-3.8112.4P505 R506 F507P505-R509 WeakPolarHBondContact O-CG 3.5Å; P505-R509 PolarHBondContact O-N 3.16Å; R506-R509 PolarHBondContact O-N 3.14Å; F507-R509 VanDerWaalsContact C-N 3.27Å; F507-R509 PolarHBondContact O-N 3.4Å
510K92.1Very high91.1Very high133 Ų13355.5 Ų55.558%0.57825%0.25SC*.Hα-helixtrans-81.7-38.9-177.4-171.7177.9176.6-168.10112.8E288 R506 F507E288-K510 IonicContact OE2-NZ 2.69Å; E288-K510 PolarHBondContact OE2-NZ 2.63Å; R506-K510 PolarHBondContact O-N 2.85Å; F507-K510 PolarHBondContact O-N 3.11Å
511F90.9Very high91.2Very high29 Ų2955.4 Ų55.413%0.12725%0.253CS..SBendtrans-121.1141.9-173.1-62.5-68.3000112.5E288 F507 Q508 L516E288-F511 HydrophobicContact CG-CE2 3.89Å; E288-F511 HydrophobicContact CG-CZ 4.22Å; E288-F511 WeakPolarHBondContact OE1-CZ 3.32Å; E288-F511 WeakPolarHBondContact OE2-CE2 3.26Å; E288-F511 WeakPolarHBondContact OE2-CZ 3.5Å; F507-F511 HydrophobicContact CD1-CE2 4.45Å; F507-F511 PolarHBondContact O-N 3.01Å; Q508-F511 VanDerWaalsContact O-O 3.13Å; F511-L516 HydrophobicContact CB-CD1 4.09Å; F511-L516 HydrophobicContact CB-CD2 3.69Å; F511-L516 HydrophobicContact CB-CG 3.64Å; F511-L516 HydrophobicContact CD2-CD2 4.03Å; F511-L516 HydrophobicContact CG-CD2 4.1Å
512K90.7Very high91.3Very high151 Ų15161.6 Ų61.666%0.65728%0.282SS*.  trans-76.6150.6171-61.7-177.3-178.1179.50109.9K514 Q515 L516K512-K514 PolarHBondContact O-N 3.38Å; K512-K514 VanDerWaalsContact O-N 3.13Å; K512-Q515 WeakPolarHBondContact O-CA 3.27Å; K512-Q515 WeakPolarHBondContact O-CB 3.27Å; K512-Q515 PolarHBondContact O-N 2.79Å; K512-L516 PolarHBondContact O-N 2.98Å; K512-L516 VanDerWaalsContact O-N 3.15Å
513A87.9Confident90.9Very high28 Ų2862.1 Ų62.123%0.23129%0.286CS..Hα-helixtrans-49.5-42.9176.500000112.8P499 Y500 Q515 L516 T517P499-A513 HydrophobicContact CG-CB 3.76Å; Y500-A513 HydrophobicContact CD2-CB 4.49Å; Y500-A513 HydrophobicContact CE1-CB 4.2Å; Y500-A513 HydrophobicContact CE2-CB 3.76Å; Y500-A513 PolarHBondContact OH-N 2.86Å; A513-Q515 PolarHBondContact O-N 2.88Å; A513-Q515 VanDerWaalsContact O-N 3.12Å; A513-L516 PolarHBondContact O-N 3.2Å; A513-L516 VanDerWaalsContact O-N 3.12Å; A513-T517 PolarHBondContact O-N 3.37Å; A513-T517 PolarHBondContact O-OG1 2.84Å
514K88.1Confident90.6Very high190 Ų19063.2 Ų63.283%0.82629%0.291SS*.Hα-helixtrans-59.8-22.7177.8-64.9-170.4177.8-171.80114.3K512 P518K512-K514 PolarHBondContact O-N 3.38Å; K512-K514 VanDerWaalsContact O-N 3.13Å; K514-P518 WeakPolarHBondContact O-CD 3.22Å
515Q89.1Confident90.3Very high102 Ų10270.3 Ų70.348%0.47733%0.325SS..Hα-helixtrans-92.6-34176.3-65171.7-2100112K512 A513K512-Q515 WeakPolarHBondContact O-CA 3.27Å; K512-Q515 WeakPolarHBondContact O-CB 3.27Å; K512-Q515 PolarHBondContact O-N 2.79Å; A513-Q515 PolarHBondContact O-N 2.88Å; A513-Q515 VanDerWaalsContact O-N 3.12Å
516L90.4Very high89.9Confident0 Ų076.2 Ų76.20%036%0.356CS..Hα-helixtrans-71.1-44.9179.5-70.6169.6000111.7M292 P499 Y500 V503 F511 K512 A513 R519 I520M292-L516 HydrophobicContact CE-CD2 3.93Å; M292-L516 HydrophobicContact SD-CD2 4.16Å; P499-L516 HydrophobicContact CB-CB 3.78Å; P499-L516 HydrophobicContact CB-CD1 4.44Å; P499-L516 HydrophobicContact CG-CB 4.14Å; Y500-L516 HydrophobicContact CD1-CD1 3.86Å; Y500-L516 HydrophobicContact CE1-CD1 3.79Å; V503-L516 HydrophobicContact CG2-CD1 4.17Å; F511-L516 HydrophobicContact CB-CD1 4.09Å; F511-L516 HydrophobicContact CB-CD2 3.69Å; F511-L516 HydrophobicContact CB-CG 3.64Å; F511-L516 HydrophobicContact CD2-CD2 4.03Å; F511-L516 HydrophobicContact CG-CD2 4.1Å; K512-L516 PolarHBondContact O-N 2.98Å; K512-L516 VanDerWaalsContact O-N 3.15Å; A513-L516 PolarHBondContact O-N 3.2Å; A513-L516 VanDerWaalsContact O-N 3.12Å; L516-R519 PolarHBondContact O-N 2.91Å; L516-R519 VanDerWaalsContact O-N 3.15Å; L516-I520 HydrophobicContact CB-CD1 4.34Å; L516-I520 WeakPolarHBondContact O-CG1 3.35Å; L516-I520 PolarHBondContact O-N 3.43Å
517T91.8Very high89.8Confident35 Ų3573.1 Ų73.122%0.21535%0.346CS..Hα-helixtrans-54-51.6-175.4-66.20000112.9L497 A513 R519 I520 L521L497-T517 HydrophobicContact CD2-CG2 3.97Å; A513-T517 PolarHBondContact O-N 3.37Å; A513-T517 PolarHBondContact O-OG1 2.84Å; T517-R519 VanDerWaalsContact C-N 3.34Å; T517-R519 PolarHBondContact O-N 3.45Å; T517-I520 PolarHBondContact O-N 3.21Å; T517-L521 HydrophobicContact CG2-CD1 3.88Å; T517-L521 HydrophobicContact CG2-CG 4.46Å; T517-L521 VanDerWaalsContact O-CG 3.31Å; T517-L521 WeakPolarHBondContact O-CG 3.08Å; T517-L521 PolarHBondContact O-N 3.44Å
518P90.9Very high89.5Confident74 Ų7474.5 Ų74.548%0.48136%0.359SS..Hα-helixtrans-61.4-39.1178.5-23.835000113.5K514 L521 E522K514-P518 WeakPolarHBondContact O-CD 3.22Å; P518-L521 PolarHBondContact O-N 3.23Å; P518-E522 WeakPolarHBondContact O-CB 3.22Å; P518-E522 PolarHBondContact O-N 2.93Å
519R91.8Very high89.4Confident62 Ų6282.4 Ų82.423%0.23440%0.396CS..Hα-helixtrans-68.2-39-179.7-66.1178.678.1-178.75.8112.3E288 E289 M292 L516 T517 E522 A523E288-R519 IonicContact OE1-CZ 2.76Å; E288-R519 IonicContact OE1-NH1 3.99Å; E288-R519 PolarHBondContact OE1-NH1 3.08Å; E288-R519 IonicContact OE1-NH2 3.88Å; E288-R519 PolarHBondContact OE1-NH2 2.92Å; E289-R519 IonicContact OE1-NH2 2.68Å; E289-R519 PolarHBondContact OE1-NH2 2.83Å; M292-R519 HydrophobicContact CG-CB 4.21Å; M292-R519 HydrophobicContact SD-CB 3.87Å; L516-R519 PolarHBondContact O-N 2.91Å; L516-R519 VanDerWaalsContact O-N 3.15Å; T517-R519 VanDerWaalsContact C-N 3.34Å; T517-R519 PolarHBondContact O-N 3.45Å; R519-E522 PolarHBondContact O-N 3.34Å; R519-A523 PolarHBondContact O-N 3.4Å
520I92Very high89.5Confident0 Ų075.4 Ų75.40%037%0.372CS..Hα-helixtrans-65.2-43.7174.4-66.3169.4000110M292 A295 A296 P499 V503 L516 T517 A523 H524M292-I520 HydrophobicContact SD-CG1 4.19Å; A295-I520 HydrophobicContact CB-CD1 3.86Å; A295-I520 HydrophobicContact CB-CG1 3.85Å; A295-I520 HydrophobicContact CB-CG2 4.32Å; A296-I520 HydrophobicContact CB-CG2 4.37Å; P499-I520 HydrophobicContact CB-CD1 3.67Å; V503-I520 HydrophobicContact CG1-CD1 4.38Å; L516-I520 HydrophobicContact CB-CD1 4.34Å; L516-I520 WeakPolarHBondContact O-CG1 3.35Å; L516-I520 PolarHBondContact O-N 3.43Å; T517-I520 PolarHBondContact O-N 3.21Å; I520-A523 PolarHBondContact O-N 2.9Å; I520-H524 WeakPolarHBondContact O-CB 3.22Å; I520-H524 PolarHBondContact O-N 2.9Å
521L89.9Confident89.6Confident64 Ų6471.7 Ų71.734%0.33536%0.363SS..Hα-helixtrans-68.1-34.4178.7-68.8175.7000112.7Y299 L497 T517 P518 H524 Q525Y299-L521 HydrophobicContact CE1-CD2 4.14Å; L497-L521 HydrophobicContact CD2-CD2 4.33Å; L497-L521 HydrophobicContact CD2-CG 4.4Å; T517-L521 HydrophobicContact CG2-CD1 3.88Å; T517-L521 HydrophobicContact CG2-CG 4.46Å; T517-L521 VanDerWaalsContact O-CG 3.31Å; T517-L521 WeakPolarHBondContact O-CG 3.08Å; T517-L521 PolarHBondContact O-N 3.44Å; P518-L521 PolarHBondContact O-N 3.23Å; L521-H524 WeakPolarHBondContact O-CB 3.28Å; L521-H524 PolarHBondContact O-N 2.96Å; L521-Q525 PolarHBondContact O-N 2.8Å
522E89.4Confident89.8Confident132 Ų13273 Ų7362%0.61737%0.371SS*.Hα-helixtrans-64.3-46.8172.6-176.3178.4-170.100111.1P518 R519 H524 Q525P518-E522 WeakPolarHBondContact O-CB 3.22Å; P518-E522 PolarHBondContact O-N 2.93Å; R519-E522 PolarHBondContact O-N 3.34Å; E522-H524 VanDerWaalsContact C-N 3.28Å; E522-H524 PolarHBondContact O-N 3.15Å; E522-Q525 PolarHBondContact O-N 2.91Å
523A86.7Confident89.9Confident14 Ų1467.1 Ų67.112%0.11635%0.351CS..Hα-helixtrans-63.8-33.9174.600000112.2M292 A296 R519 I520 Q525 N526M292-A523 HydrophobicContact CB-CB 4.49Å; A296-A523 HydrophobicContact CB-CB 3.76Å; R519-A523 PolarHBondContact O-N 3.4Å; I520-A523 PolarHBondContact O-N 2.9Å; A523-Q525 VanDerWaalsContact C-N 3.28Å; A523-Q525 PolarHBondContact O-N 3.43Å; A523-N526 WeakPolarHBondContact O-CB 3.15Å; A523-N526 PolarHBondContact O-N 3.1Å; A523-N526 VanDerWaalsContact O-N 3.17Å
524H89.8Confident90.2Very high23 Ų2370.3 Ų70.311%0.10636%0.361CS..Hα-helixtrans-60-34.1178.2179.4-105.6000113.1A296 Y299 H300 I520 L521 E522 N526 V527 A528A296-H524 HydrophobicContact CB-CB 4.16Å; Y299-H524 AromaticContact CD1-CD2 3.76Å; Y299-H524 AromaticContact CD1-CG 4Å; H300-H524 AromaticContact CG-NE2 3.65Å; H300-H524 AromaticContact ND1-NE2 3.08Å; H300-H524 PolarHBondContact ND1-NE2 3.19Å; I520-H524 WeakPolarHBondContact O-CB 3.22Å; I520-H524 PolarHBondContact O-N 2.9Å; L521-H524 WeakPolarHBondContact O-CB 3.28Å; L521-H524 PolarHBondContact O-N 2.96Å; E522-H524 VanDerWaalsContact C-N 3.28Å; E522-H524 PolarHBondContact O-N 3.15Å; H524-N526 PolarHBondContact O-N 2.71Å; H524-V527 CarbonylContact O-C 3.43Å; H524-V527 VanDerWaalsContact O-CG2 3.31Å; H524-V527 WeakPolarHBondContact O-CG2 3.48Å; H524-V527 PolarHBondContact O-N 2.74Å; H524-A528 PolarHBondContact O-N 3.13Å
525Q87.9Confident90.6Very high150 Ų15061.3 Ų61.370%0.70132%0.322SS*.THydrogen-bonded Turntrans-56.6-28.1177.6-65.6178.58.800113L521 E522 A523 V527L521-Q525 PolarHBondContact O-N 2.8Å; E522-Q525 PolarHBondContact O-N 2.91Å; A523-Q525 VanDerWaalsContact C-N 3.28Å; A523-Q525 PolarHBondContact O-N 3.43Å; Q525-V527 VanDerWaalsContact C-N 3.34Å
526N84.9Confident91Very high124 Ų12456.7 Ų56.766%0.66330%0.3SS*.THydrogen-bonded Turntrans-80.2-15179.1-58.8-54.8000113.7A523 H524A523-N526 WeakPolarHBondContact O-CB 3.15Å; A523-N526 PolarHBondContact O-N 3.1Å; A523-N526 VanDerWaalsContact O-N 3.17Å; H524-N526 PolarHBondContact O-N 2.71Å
527V88.1Confident91.3Very high15 Ų1558.6 Ų58.69%0.09131%0.31CS..THydrogen-bonded Turntrans-121.6-4.1-174.5-61.30000113.2A296 L297 H300 H524 Q525 Q529 L530A296-V527 HydrophobicContact CB-CG2 4.41Å; L297-V527 HydrophobicContact CD2-CB 3.92Å; L297-V527 HydrophobicContact CD2-CG1 3.7Å; L297-V527 HydrophobicContact CD2-CG2 4.28Å; L297-V527 HydrophobicContact CG-CG1 4.19Å; H300-V527 HydrophobicContact CB-CG2 4.47Å; H300-V527 PolarHBondContact CD2-O 3.08Å; H300-V527 PolarHBondContact NE2-O 2.83Å; H524-V527 CarbonylContact O-C 3.43Å; H524-V527 VanDerWaalsContact O-CG2 3.31Å; H524-V527 WeakPolarHBondContact O-CG2 3.48Å; H524-V527 PolarHBondContact O-N 2.74Å; Q525-V527 VanDerWaalsContact C-N 3.34Å; V527-Q529 PolarHBondContact O-N 3.07Å; V527-Q529 VanDerWaalsContact O-N 3.08Å; V527-L530 HydrophobicContact CB-CD1 3.9Å; V527-L530 HydrophobicContact CB-CG 4.49Å; V527-L530 HydrophobicContact CG1-CD1 4.1Å; V527-L530 WeakPolarHBondContact O-CB 3.46Å; V527-L530 WeakPolarHBondContact O-CG 3.4Å; V527-L530 PolarHBondContact O-N 2.98Å
528A87.7Confident91.5Very high39 Ų3963.7 Ų63.732%0.32233%0.325SS..THydrogen-bonded Turntrans-60.4-21.6-174.200000115.1H300 H524H300-A528 PolarHBondContact CE1-O 3Å; H524-A528 PolarHBondContact O-N 3.13Å
529Q88.4Confident91.8Very high183 Ų18360.2 Ų60.286%0.85530%0.303SS*.THydrogen-bonded Turntrans-92.9-4.7179.9-62-60.9-33.900113.7V527V527-Q529 PolarHBondContact O-N 3.07Å; V527-Q529 VanDerWaalsContact O-N 3.08Å
530L91.6Very high92.1Very high36 Ų3657.3 Ų57.319%0.18829%0.292CS..  trans-73.7140.5-179.5-62.2177.9000110.4L297 H300 V527 E534 A535 R538L297-L530 HydrophobicContact CD2-CD1 4.18Å; H300-L530 PolarHBondContact NE2-O 3.02Å; V527-L530 HydrophobicContact CB-CD1 3.9Å; V527-L530 HydrophobicContact CB-CG 4.49Å; V527-L530 HydrophobicContact CG1-CD1 4.1Å; V527-L530 WeakPolarHBondContact O-CB 3.46Å; V527-L530 WeakPolarHBondContact O-CG 3.4Å; V527-L530 PolarHBondContact O-N 2.98Å; L530-E534 HydrophobicContact CB-CB 4.27Å; L530-E534 HydrophobicContact CD2-CB 4.28Å; L530-A535 HydrophobicContact CB-CB 4.1Å; L530-A535 HydrophobicContact CD1-CB 4.36Å; L530-R538 HydrophobicContact CD1-CB 4.25Å; L530-R538 HydrophobicContact CD1-CG 3.83Å
531S93.9Very high92.3Very high55 Ų5561.1 Ų61.139%0.38531%0.31SS..  trans-65166.6164.765.20000111.3A533 E534 A535S531-A533 VanDerWaalsContact C-N 3.3Å; S531-A533 PolarHBondContact O-N 3.41Å; S531-E534 WeakPolarHBondContact CB-OE2 3.39Å; S531-E534 PolarHBondContact N-OE2 3.44Å; S531-E534 PolarHBondContact O-N 2.91Å; S531-E534 WeakPolarHBondContact OG-CB 3.39Å; S531-E534 WeakPolarHBondContact OG-CG 3.5Å; S531-E534 PolarHBondContact OG-N 3.48Å; S531-E534 PolarHBondContact OG-OE2 3.19Å; S531-A535 WeakPolarHBondContact O-CB 3.43Å; S531-A535 PolarHBondContact O-N 2.97Å
532L93.8Very high92.5Very high55 Ų5559.4 Ų59.429%0.28830%0.304SS..Hα-helixtrans-55-47.3179.1178.663000111.8P201 I301 L304 A535 Q536P201-L532 HydrophobicContact CG-CD1 4.32Å; I301-L532 HydrophobicContact CB-CD1 4.29Å; I301-L532 HydrophobicContact CG2-CD1 3.76Å; I301-L532 WeakPolarHBondContact O-CD1 3.28Å; L304-L532 HydrophobicContact CB-CB 4.38Å; L304-L532 HydrophobicContact CB-CD1 4.15Å; L304-L532 HydrophobicContact CD1-CB 4.21Å; L532-A535 PolarHBondContact O-N 2.83Å; L532-Q536 WeakPolarHBondContact O-CG 3.38Å; L532-Q536 PolarHBondContact O-N 3.16Å; L532-Q536 VanDerWaalsContact O-N 3.08Å
533A93.6Very high92.8Very high28 Ų2853.2 Ų53.223%0.23128%0.275CS..Hα-helixtrans-72.4-38.9-175.400000111.7P261 L268 S531 Q536 L537P261-A533 HydrophobicContact CB-CB 3.65Å; L268-A533 HydrophobicContact CD2-CB 4.13Å; S531-A533 VanDerWaalsContact C-N 3.3Å; S531-A533 PolarHBondContact O-N 3.41Å; A533-Q536 PolarHBondContact O-N 2.94Å; A533-L537 WeakPolarHBondContact O-CB 3.31Å; A533-L537 PolarHBondContact O-N 2.98Å
534E94.9Very high93.2Very high96 Ų9656.1 Ų56.145%0.44929%0.287SS..Hα-helixtrans-65.5-38.8173.3-70.9167.6140.800111.9L530 S531 L537 R538L530-E534 HydrophobicContact CB-CB 4.27Å; L530-E534 HydrophobicContact CD2-CB 4.28Å; S531-E534 WeakPolarHBondContact CB-OE2 3.39Å; S531-E534 PolarHBondContact N-OE2 3.44Å; S531-E534 PolarHBondContact O-N 2.91Å; S531-E534 WeakPolarHBondContact OG-CB 3.39Å; S531-E534 WeakPolarHBondContact OG-CG 3.5Å; S531-E534 PolarHBondContact OG-N 3.48Å; S531-E534 PolarHBondContact OG-OE2 3.19Å; E534-L537 PolarHBondContact O-N 3.36Å; E534-R538 WeakPolarHBondContact O-CB 3.44Å; E534-R538 WeakPolarHBondContact O-CG 3.36Å; E534-R538 PolarHBondContact O-N 3.14Å
535A96.3Very high93.3Very high0 Ų058.4 Ų58.40%031%0.305CS..Hα-helixtrans-64.5-42.7177.100000111.6L297 I301 L530 S531 L532 R538 F539L297-A535 HydrophobicContact CD2-CB 4.28Å; I301-A535 HydrophobicContact CD1-CB 4.19Å; I301-A535 HydrophobicContact CG1-CB 3.61Å; L530-A535 HydrophobicContact CB-CB 4.1Å; L530-A535 HydrophobicContact CD1-CB 4.36Å; S531-A535 WeakPolarHBondContact O-CB 3.43Å; S531-A535 PolarHBondContact O-N 2.97Å; L532-A535 PolarHBondContact O-N 2.83Å; A535-R538 PolarHBondContact O-N 3.03Å; A535-F539 WeakPolarHBondContact O-CB 3.31Å; A535-F539 PolarHBondContact O-N 2.97Å
536Q97.8Very high93.4Very high6 Ų651.6 Ų51.63%0.02827%0.274CS..Hα-helixtrans-60.4-45.2171.6-71.4176.4-43.400111.7P201 L268 T269 Y272 I301 L532 A533 R538 F539 I540P201-Q536 VanDerWaalsContact CG-NE2 3.33Å; L268-Q536 HydrophobicContact CD1-CB 4.37Å; L268-Q536 HydrophobicContact CD2-CB 4.18Å; L268-Q536 HydrophobicContact CG-CB 4.09Å; T269-Q536 PolarHBondContact OG1-NE2 2.74Å; Y272-Q536 HydrophobicContact CD1-CG 4.29Å; Y272-Q536 HydrophobicContact CD2-CG 4.46Å; Y272-Q536 HydrophobicContact CG-CB 4.41Å; Y272-Q536 HydrophobicContact CG-CG 4.07Å; I301-Q536 HydrophobicContact CD1-CG 4.03Å; I301-Q536 HydrophobicContact CG1-CG 4.36Å; I301-Q536 HydrophobicContact CG2-CG 4.34Å; L532-Q536 WeakPolarHBondContact O-CG 3.38Å; L532-Q536 PolarHBondContact O-N 3.16Å; L532-Q536 VanDerWaalsContact O-N 3.08Å; A533-Q536 PolarHBondContact O-N 2.94Å; Q536-R538 PolarHBondContact O-N 3.28Å; Q536-F539 WeakPolarHBondContact O-CB 3.25Å; Q536-F539 PolarHBondContact O-N 3.45Å; Q536-I540 WeakPolarHBondContact O-CG1 3.5Å; Q536-I540 PolarHBondContact O-N 3.02Å
537L95.9Very high93.3Very high39 Ų3949.3 Ų49.320%0.20427%0.265CS..Hα-helixtrans-63.3-43178.9-173.765000111.6L259 P261 L268 A533 E534 F539 I540 Q541L259-L537 HydrophobicContact CD2-CD1 3.84Å; L259-L537 HydrophobicContact CG-CD1 4.4Å; P261-L537 HydrophobicContact CG-CD2 4.1Å; L268-L537 HydrophobicContact CD1-CD1 4.38Å; A533-L537 WeakPolarHBondContact O-CB 3.31Å; A533-L537 PolarHBondContact O-N 2.98Å; E534-L537 PolarHBondContact O-N 3.36Å; L537-F539 VanDerWaalsContact C-N 3.3Å; L537-F539 PolarHBondContact O-N 2.74Å; L537-I540 PolarHBondContact O-N 3.11Å; L537-Q541 VanDerWaalsContact O-CG 3.3Å; L537-Q541 WeakPolarHBondContact O-CG 3.3Å; L537-Q541 PolarHBondContact O-N 2.99Å
538R96.1Very high93.3Very high143 Ų14351.6 Ų51.654%0.5428%0.277SS..Hα-helixtrans-62.7-36.8175.1-72-68.8-174.1160.83.5112L297 L530 E534 A535 Q536 Q541 A542L297-R538 HydrophobicContact CD2-CB 4.29Å; L530-R538 HydrophobicContact CD1-CB 4.25Å; L530-R538 HydrophobicContact CD1-CG 3.83Å; E534-R538 WeakPolarHBondContact O-CB 3.44Å; E534-R538 WeakPolarHBondContact O-CG 3.36Å; E534-R538 PolarHBondContact O-N 3.14Å; A535-R538 PolarHBondContact O-N 3.03Å; Q536-R538 PolarHBondContact O-N 3.28Å; R538-Q541 PolarHBondContact O-N 3.47Å; R538-A542 WeakPolarHBondContact O-CB 3.42Å; R538-A542 PolarHBondContact O-N 3.39Å
539F98.4Very high93.5Very high0 Ų051.5 Ų51.50%027%0.27CS..Hα-helixtrans-61.2-48173-170.2-77.4000111.1Y272 A275 R276 L279 F294 L297 Q298 A535 Q536 L537 Q541 A542 W543Y272-F539 HydrophobicContact CD2-CB 3.95Å; Y272-F539 AromaticContact CD2-CD1 3.66Å; Y272-F539 HydrophobicContact CD2-CD1 3.66Å; Y272-F539 HydrophobicContact CD2-CD2 4.27Å; Y272-F539 HydrophobicContact CD2-CE1 4.23Å; Y272-F539 AromaticContact CD2-CG 3.7Å; Y272-F539 HydrophobicContact CD2-CG 3.7Å; Y272-F539 HydrophobicContact CE2-CB 4.25Å; Y272-F539 AromaticContact CE2-CD1 3.99Å; Y272-F539 HydrophobicContact CE2-CD1 3.99Å; Y272-F539 AromaticContact CE2-CD2 3.84Å; Y272-F539 HydrophobicContact CE2-CD2 3.84Å; Y272-F539 HydrophobicContact CE2-CE1 4.31Å; Y272-F539 HydrophobicContact CE2-CE2 4.18Å; Y272-F539 AromaticContact CE2-CG 3.75Å; Y272-F539 HydrophobicContact CE2-CG 3.75Å; Y272-F539 HydrophobicContact CE2-CZ 4.4Å; A275-F539 HydrophobicContact CB-CD1 4.22Å; A275-F539 HydrophobicContact CB-CE1 3.88Å; R276-F539 HydrophobicContact CB-CE1 4.28Å; R276-F539 HydrophobicContact CB-CZ 4.13Å; L279-F539 HydrophobicContact CD1-CE1 3.8Å; L279-F539 HydrophobicContact CD1-CZ 3.58Å; F294-F539 HydrophobicContact CB-CE2 3.81Å; F294-F539 HydrophobicContact CB-CZ 4.31Å; F294-F539 HydrophobicContact CD1-CD1 4.35Å; F294-F539 AromaticContact CD1-CD2 3.75Å; F294-F539 HydrophobicContact CD1-CD2 3.75Å; F294-F539 HydrophobicContact CD1-CE1 4.1Å; F294-F539 AromaticContact CD1-CE2 3.45Å; F294-F539 HydrophobicContact CD1-CE2 3.45Å; F294-F539 VanDerWaalsContact CD1-CE2 3.45Å; F294-F539 HydrophobicContact CD1-CG 4.19Å; F294-F539 AromaticContact CD1-CZ 3.64Å; F294-F539 HydrophobicContact CD1-CZ 3.64Å; F294-F539 HydrophobicContact CE1-CD1 4.48Å; F294-F539 HydrophobicContact CE1-CE1 4.35Å; F294-F539 HydrophobicContact CE1-CE2 4.41Å; F294-F539 HydrophobicContact CE1-CZ 4.32Å; F294-F539 HydrophobicContact CG-CE2 4.05Å; F294-F539 HydrophobicContact CG-CZ 4.26Å; L297-F539 HydrophobicContact CB-CD2 3.86Å; L297-F539 HydrophobicContact CD1-CB 4.11Å; L297-F539 HydrophobicContact CD1-CD2 4.22Å; Q298-F539 HydrophobicContact CG-CD2 4.4Å; Q298-F539 HydrophobicContact CG-CE2 3.71Å; Q298-F539 HydrophobicContact CG-CZ 4.43Å; A535-F539 WeakPolarHBondContact O-CB 3.31Å; A535-F539 PolarHBondContact O-N 2.97Å; Q536-F539 WeakPolarHBondContact O-CB 3.25Å; Q536-F539 PolarHBondContact O-N 3.45Å; L537-F539 VanDerWaalsContact C-N 3.3Å; L537-F539 PolarHBondContact O-N 2.74Å; F539-Q541 PolarHBondContact O-N 3.24Å; F539-A542 PolarHBondContact O-N 3.09Å; F539-W543 WeakPolarHBondContact O-CB 3.3Å; F539-W543 PolarHBondContact O-N 2.6Å
540I97.4Very high93.7Very high1 Ų143.1 Ų43.11%0.00523%0.232CC..Hα-helixtrans-63.8-42178.4-65.3161.6000110.8L259 L268 L271 Q536 L537 A542 W543 Q544L259-I540 HydrophobicContact CD2-CD1 4.12Å; L259-I540 HydrophobicContact CD2-CG2 4.48Å; L268-I540 HydrophobicContact CD1-CD1 3.55Å; L271-I540 HydrophobicContact CB-CD1 4.15Å; L271-I540 HydrophobicContact CD2-CD1 4Å; L271-I540 HydrophobicContact CD2-CG2 4.1Å; L271-I540 HydrophobicContact CG-CD1 3.9Å; L271-I540 HydrophobicContact CG-CG1 4.27Å; L271-I540 HydrophobicContact CG-CG2 4.42Å; Q536-I540 WeakPolarHBondContact O-CG1 3.5Å; Q536-I540 PolarHBondContact O-N 3.02Å; L537-I540 PolarHBondContact O-N 3.11Å; I540-A542 PolarHBondContact O-N 3.43Å; I540-W543 HydrophobicContact CG2-CE3 4.41Å; I540-W543 WeakPolarHBondContact O-CB 3.49Å; I540-W543 PolarHBondContact O-N 3.43Å; I540-Q544 HydrophobicContact CG2-CG 4.38Å; I540-Q544 WeakPolarHBondContact O-CB 3.28Å; I540-Q544 VanDerWaalsContact O-CG 3.28Å; I540-Q544 WeakPolarHBondContact O-CG 3.38Å; I540-Q544 PolarHBondContact O-N 2.84Å
541Q95.4Very high93.8Very high81 Ų8142.2 Ų42.238%0.37923%0.227SC..Hα-helixtrans-62.4-42176.5-73.3172.9-3.200112.4L537 R538 F539 W543 Q544 S545L537-Q541 VanDerWaalsContact O-CG 3.3Å; L537-Q541 WeakPolarHBondContact O-CG 3.3Å; L537-Q541 PolarHBondContact O-N 2.99Å; R538-Q541 PolarHBondContact O-N 3.47Å; F539-Q541 PolarHBondContact O-N 3.24Å; Q541-W543 VanDerWaalsContact C-N 3.34Å; Q541-Q544 PolarHBondContact O-N 3.02Å; Q541-S545 PolarHBondContact O-N 3.13Å
542A94Very high93.9Very high27 Ų2739.6 Ų39.622%0.22321%0.209CC..Hα-helixtrans-64.3-41.1174.400000111.2F294 R538 F539 I540 S545F294-A542 HydrophobicContact CD1-CB 4.42Å; F294-A542 HydrophobicContact CE1-CB 3.57Å; F294-A542 HydrophobicContact CZ-CB 3.89Å; R538-A542 WeakPolarHBondContact O-CB 3.42Å; R538-A542 PolarHBondContact O-N 3.39Å; F539-A542 PolarHBondContact O-N 3.09Å; I540-A542 PolarHBondContact O-N 3.43Å; A542-S545 PolarHBondContact O-N 2.92Å; A542-S545 PolarHBondContact O-OG 2.95Å
543W97.1Very high93.9Very high2 Ų237.7 Ų37.71%0.00820%0.198CC..Hα-helixtrans-63.3-40.5175.217664.6000112.7Y254 F256 L271 A275 F294 F539 I540 Q541 S545 L546 F549Y254-W543 AromaticContact CD1-CH2 3.71Å; Y254-W543 HydrophobicContact CD1-CH2 3.71Å; Y254-W543 HydrophobicContact CD1-CZ2 4.13Å; Y254-W543 HydrophobicContact CD1-CZ3 4.43Å; Y254-W543 AromaticContact CE1-CH2 3.34Å; Y254-W543 HydrophobicContact CE1-CH2 3.34Å; Y254-W543 AromaticContact CE1-CZ2 3.48Å; Y254-W543 HydrophobicContact CE1-CZ2 3.48Å; Y254-W543 VanDerWaalsContact CE1-CZ2 3.48Å; Y254-W543 HydrophobicContact CE1-CZ3 4.43Å; F256-W543 AromaticContact CE2-CZ3 3.87Å; F256-W543 HydrophobicContact CE2-CZ3 3.87Å; F256-W543 HydrophobicContact CZ-CH2 4.41Å; F256-W543 HydrophobicContact CZ-CZ3 4.05Å; L271-W543 HydrophobicContact CD1-CZ3 4.01Å; A275-W543 HydrophobicContact CB-CB 4.28Å; A275-W543 HydrophobicContact CB-CD2 3.43Å; A275-W543 VanDerWaalsContact CB-CD2 3.43Å; A275-W543 HydrophobicContact CB-CE3 3.56Å; A275-W543 HydrophobicContact CB-CG 3.77Å; A275-W543 HydrophobicContact CB-CH2 4.25Å; A275-W543 HydrophobicContact CB-CZ2 4.15Å; A275-W543 HydrophobicContact CB-CZ3 3.96Å; F294-W543 HydrophobicContact CE1-CB 4.19Å; F294-W543 HydrophobicContact CZ-CB 4.33Å; F539-W543 WeakPolarHBondContact O-CB 3.3Å; F539-W543 PolarHBondContact O-N 2.6Å; I540-W543 HydrophobicContact CG2-CE3 4.41Å; I540-W543 WeakPolarHBondContact O-CB 3.49Å; I540-W543 PolarHBondContact O-N 3.43Å; Q541-W543 VanDerWaalsContact C-N 3.34Å; W543-S545 PolarHBondContact O-N 3.24Å; W543-L546 WeakPolarHBondContact O-CB 3.32Å; W543-L546 WeakPolarHBondContact O-CG 3.39Å; W543-L546 PolarHBondContact O-N 2.98Å; W543-F549 AromaticContact CD2-CD2 3.86Å; W543-F549 HydrophobicContact CD2-CD2 3.86Å; W543-F549 AromaticContact CD2-CE2 3.8Å; W543-F549 HydrophobicContact CD2-CE2 3.8Å; W543-F549 AromaticContact CE2-CD2 3.97Å; W543-F549 HydrophobicContact CE3-CD2 4.04Å; W543-F549 AromaticContact CE3-CE2 3.48Å; W543-F549 HydrophobicContact CE3-CE2 3.48Å; W543-F549 VanDerWaalsContact CE3-CE2 3.48Å; W543-F549 HydrophobicContact CG-CD2 4.41Å; W543-F549 HydrophobicContact CH2-CD2 4.46Å; W543-F549 AromaticContact CH2-CE2 3.8Å; W543-F549 HydrophobicContact CH2-CE2 3.8Å; W543-F549 HydrophobicContact CZ2-CD2 4.3Å; W543-F549 HydrophobicContact CZ2-CE2 4.09Å; W543-F549 HydrophobicContact CZ3-CD2 4.35Å; W543-F549 AromaticContact CZ3-CE2 3.5Å; W543-F549 HydrophobicContact CZ3-CE2 3.5Å; W543-F549 VanDerWaalsContact CZ3-CE2 3.5Å; W543-F549 HydrophobicContact CZ3-CZ 4.38Å; W543-F549 WeakPolarHBondContact O-CD2 3.46Å
544Q93.8Very high94Very high75 Ų7536.4 Ų36.435%0.3519%0.187SC..Hα-helixtrans-62.8-24.5174.2-76.2177.6-32.400113.9I540 Q541 L546 F549I540-Q544 HydrophobicContact CG2-CG 4.38Å; I540-Q544 WeakPolarHBondContact O-CB 3.28Å; I540-Q544 VanDerWaalsContact O-CG 3.28Å; I540-Q544 WeakPolarHBondContact O-CG 3.38Å; I540-Q544 PolarHBondContact O-N 2.84Å; Q541-Q544 PolarHBondContact O-N 3.02Å; Q544-L546 VanDerWaalsContact C-N 3.32Å; Q544-F549 HydrophobicContact CB-CD1 4.36Å; Q544-F549 HydrophobicContact CB-CD2 4.47Å; Q544-F549 HydrophobicContact CB-CE1 4.27Å; Q544-F549 HydrophobicContact CB-CE2 4.36Å; Q544-F549 HydrophobicContact CB-CG 4.48Å; Q544-F549 HydrophobicContact CB-CZ 4.29Å; Q544-F549 HydrophobicContact CG-CD1 4.41Å; Q544-F549 HydrophobicContact CG-CD2 4.27Å; Q544-F549 HydrophobicContact CG-CE1 3.87Å; Q544-F549 HydrophobicContact CG-CE2 3.69Å; Q544-F549 HydrophobicContact CG-CZ 3.49Å; Q544-F549 VanDerWaalsContact CG-CZ 3.49Å
545S91.4Very high94.1Very high72 Ų7233.2 Ų33.250%0.50317%0.173SC..THydrogen-bonded Turntrans-81.9-11.2-179.978.10000113.9Q541 A542 W543Q541-S545 PolarHBondContact O-N 3.13Å; A542-S545 PolarHBondContact O-N 2.92Å; A542-S545 PolarHBondContact O-OG 2.95Å; W543-S545 PolarHBondContact O-N 3.24Å
546L91.1Very high94Very high6 Ų633.2 Ų33.23%0.03117%0.173CC..SBendtrans-66144.5178.8-64.1175.8000110.9L279 I284 C286 F294 W543 Q544 D548 F549L279-L546 HydrophobicContact CD2-CD1 3.81Å; I284-L546 HydrophobicContact CD1-CB 3.96Å; I284-L546 HydrophobicContact CD1-CD1 3.83Å; I284-L546 HydrophobicContact CG1-CD1 4.05Å; I284-L546 HydrophobicContact CG2-CD1 4.46Å; C286-L546 HydrophobicContact CB-CD1 4.19Å; C286-L546 HydrophobicContact CB-CD2 3.63Å; F294-L546 HydrophobicContact CE2-CD1 4.19Å; F294-L546 HydrophobicContact CE2-CD2 4.32Å; F294-L546 HydrophobicContact CZ-CD1 4.1Å; F294-L546 HydrophobicContact CZ-CG 4.43Å; W543-L546 WeakPolarHBondContact O-CB 3.32Å; W543-L546 WeakPolarHBondContact O-CG 3.39Å; W543-L546 PolarHBondContact O-N 2.98Å; Q544-L546 VanDerWaalsContact C-N 3.32Å; L546-D548 VanDerWaalsContact C-N 3.28Å; L546-D548 PolarHBondContact O-N 3.15Å; L546-F549 HydrophobicContact CB-CB 4.48Å; L546-F549 WeakPolarHBondContact O-CB 3.45Å; L546-F549 PolarHBondContact O-N 2.98Å; L546-F549 VanDerWaalsContact O-N 3.1Å
547P83.2Confident93.9Very high76 Ų7637.9 Ų37.949%0.49419%0.19SC..THydrogen-bonded Turntrans-61.4-35.2-172.323.1-34000113.6
548D87Confident93.9Very high63 Ų6336.5 Ų36.534%0.33718%0.183SC..THydrogen-bonded Turntrans-95.69.8-177.9-62.1-25.5000113L546 G550 I551L546-D548 VanDerWaalsContact C-N 3.28Å; L546-D548 PolarHBondContact O-N 3.15Å; D548-G550 PolarHBondContact O-N 3.23Å; D548-I551 HydrophobicContact CB-CD1 4.35Å; D548-I551 PolarHBondContact O-N 3.35Å
549F92.5Very high93.8Very high37 Ų3737.3 Ų37.316%0.16219%0.19CC..THydrogen-bonded Turntrans-57.5132.1178.4172.5-97.8000111.4Y254 F256 I284 W543 Q544 L546 I551Y254-F549 HydrophobicContact CD1-CD2 4.24Å; Y254-F549 AromaticContact CD1-CE2 3.59Å; Y254-F549 HydrophobicContact CD1-CE2 3.59Å; Y254-F549 AromaticContact CD1-CZ 3.76Å; Y254-F549 HydrophobicContact CD1-CZ 3.76Å; Y254-F549 HydrophobicContact CE1-CE2 4.36Å; Y254-F549 HydrophobicContact CG-CZ 4.32Å; F256-F549 HydrophobicContact CE2-CE2 4.34Å; F256-F549 AromaticContact CE2-CZ 3.9Å; F256-F549 HydrophobicContact CE2-CZ 3.9Å; I284-F549 HydrophobicContact CD1-CB 4.29Å; W543-F549 AromaticContact CD2-CD2 3.86Å; W543-F549 HydrophobicContact CD2-CD2 3.86Å; W543-F549 AromaticContact CD2-CE2 3.8Å; W543-F549 HydrophobicContact CD2-CE2 3.8Å; W543-F549 AromaticContact CE2-CD2 3.97Å; W543-F549 HydrophobicContact CE3-CD2 4.04Å; W543-F549 AromaticContact CE3-CE2 3.48Å; W543-F549 HydrophobicContact CE3-CE2 3.48Å; W543-F549 VanDerWaalsContact CE3-CE2 3.48Å; W543-F549 HydrophobicContact CG-CD2 4.41Å; W543-F549 HydrophobicContact CH2-CD2 4.46Å; W543-F549 AromaticContact CH2-CE2 3.8Å; W543-F549 HydrophobicContact CH2-CE2 3.8Å; W543-F549 HydrophobicContact CZ2-CD2 4.3Å; W543-F549 HydrophobicContact CZ2-CE2 4.09Å; W543-F549 HydrophobicContact CZ3-CD2 4.35Å; W543-F549 AromaticContact CZ3-CE2 3.5Å; W543-F549 HydrophobicContact CZ3-CE2 3.5Å; W543-F549 VanDerWaalsContact CZ3-CE2 3.5Å; W543-F549 HydrophobicContact CZ3-CZ 4.38Å; W543-F549 WeakPolarHBondContact O-CD2 3.46Å; Q544-F549 HydrophobicContact CB-CD1 4.36Å; Q544-F549 HydrophobicContact CB-CD2 4.47Å; Q544-F549 HydrophobicContact CB-CE1 4.27Å; Q544-F549 HydrophobicContact CB-CE2 4.36Å; Q544-F549 HydrophobicContact CB-CG 4.48Å; Q544-F549 HydrophobicContact CB-CZ 4.29Å; Q544-F549 HydrophobicContact CG-CD1 4.41Å; Q544-F549 HydrophobicContact CG-CD2 4.27Å; Q544-F549 HydrophobicContact CG-CE1 3.87Å; Q544-F549 HydrophobicContact CG-CE2 3.69Å; Q544-F549 HydrophobicContact CG-CZ 3.49Å; Q544-F549 VanDerWaalsContact CG-CZ 3.49Å; L546-F549 HydrophobicContact CB-CB 4.48Å; L546-F549 WeakPolarHBondContact O-CB 3.45Å; L546-F549 PolarHBondContact O-N 2.98Å; L546-F549 VanDerWaalsContact O-N 3.1Å; F549-I551 VanDerWaalsContact C-N 3.28Å; F549-I551 PolarHBondContact O-N 2.74Å
550G92.2Very high93.3Very high7 Ų741.4 Ų41.47%0.07223%0.232CC..THydrogen-bonded Turntrans74.69.817300000116Y254 D548 A570Y254-G550 VanDerWaalsContact CB-CA 3.46Å; Y254-G550 VanDerWaalsContact CG-CA 3.45Å; D548-G550 PolarHBondContact O-N 3.23Å; G550-A570 WeakPolarHBondContact O-CA 3.42Å
551I93.8Very high93Very high17 Ų1742.8 Ų42.89%0.08724%0.242CC..PPolyproline II helixtrans-86.5118.5174.8-52.5177.2000109.6D548 F549 Y553 A570 I575D548-I551 HydrophobicContact CB-CD1 4.35Å; D548-I551 PolarHBondContact O-N 3.35Å; F549-I551 VanDerWaalsContact C-N 3.28Å; F549-I551 PolarHBondContact O-N 2.74Å; I551-Y553 HydrophobicContact CB-CE1 4.3Å; I551-Y553 HydrophobicContact CB-CE2 4.33Å; I551-Y553 HydrophobicContact CG2-CD1 3.94Å; I551-Y553 HydrophobicContact CG2-CE1 3.48Å; I551-Y553 VanDerWaalsContact CG2-CE1 3.48Å; I551-Y553 HydrophobicContact CG2-CE2 4.22Å; I551-A570 HydrophobicContact CG1-CB 4.43Å; I551-I575 HydrophobicContact CD1-CD1 3.97Å; I551-I575 HydrophobicContact CG1-CD1 4.42Å
552S96Very high92.8Very high0 Ų050.4 Ų50.40%027%0.267CS..EExtended strand (participates in β ladder)trans-95.2126.6169.2-61.20000110.3H226 G568 I569 Y630H226-S552 PolarHBondContact CE1-OG 2.77Å; S552-G568 CarbonylContact O-C 3.47Å; S552-G568 WeakPolarHBondContact O-CA 3.45Å; S552-I569 PolarHBondContact N-O 3.47Å; S552-I569 PolarHBondContact O-N 3.2Å; S552-Y630 WeakPolarHBondContact OG-CE1 3.4Å; S552-Y630 PolarHBondContact OG-OH 3.18Å
553Y94.5Very high92.7Very high15 Ų1556.6 Ų56.66%0.05929%0.289CS..EExtended strand (participates in β ladder)trans-99.9128.1-172.9-59-78.4000112.3L219 K222 T223 H226 I551 I566 I577L219-Y553 HydrophobicContact CD2-CE1 4.26Å; K222-Y553 HydrophobicContact CB-CD2 4.08Å; K222-Y553 HydrophobicContact CD-CD2 4.43Å; K222-Y553 HydrophobicContact CD-CE2 4.25Å; T223-Y553 WeakPolarHBondContact CA-O 3.46Å; H226-Y553 PolarHBondContact CD2-N 3.36Å; H226-Y553 VanDerWaalsContact CD2-N 3.28Å; H226-Y553 PolarHBondContact CD2-O 3.49Å; H226-Y553 PolarHBondContact NE2-N 2.93Å; I551-Y553 HydrophobicContact CB-CE1 4.3Å; I551-Y553 HydrophobicContact CB-CE2 4.33Å; I551-Y553 HydrophobicContact CG2-CD1 3.94Å; I551-Y553 HydrophobicContact CG2-CE1 3.48Å; I551-Y553 VanDerWaalsContact CG2-CE1 3.48Å; I551-Y553 HydrophobicContact CG2-CE2 4.22Å; Y553-I566 HydrophobicContact CD1-CG2 3.72Å; Y553-I566 HydrophobicContact CG-CG2 4.43Å; Y553-I577 HydrophobicContact CD1-CD1 4.2Å; Y553-I577 HydrophobicContact CE1-CD1 3.79Å
554V96.1Very high92.6Very high1 Ų158.6 Ų58.61%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-129131.5174.9-176.80000109.5V556 L567 I569 A622 V627V554-V556 HydrophobicContact CB-CG1 4.45Å; V554-V556 HydrophobicContact CG1-CG1 4.01Å; V554-L567 PolarHBondContact N-O 2.69Å; V554-L567 PolarHBondContact O-N 2.87Å; V554-I569 HydrophobicContact CG2-CD1 4.13Å; V554-A622 HydrophobicContact CG1-CB 4.01Å; V554-V627 HydrophobicContact CB-CG2 4.3Å; V554-V627 HydrophobicContact CG1-CG2 3.91Å; V554-V627 HydrophobicContact CG2-CG2 4.11Å
555M95.3Very high92.6Very high29 Ų2955.5 Ų55.514%0.14329%0.286CS..EExtended strand (participates in β ladder)trans-79.3125.4174.5-168.2176.1-72.300109.4T223 D564 L579 V620 S621T223-M555 HydrophobicContact CG2-CB 4.34Å; M555-D564 HydrophobicContact CG-CB 4.24Å; M555-D564 HydrophobicContact SD-CB 4.3Å; M555-L579 HydrophobicContact CE-CD1 4.32Å; M555-L579 HydrophobicContact CE-CD2 4.34Å; M555-V620 HydrophobicContact CB-CB 4.44Å; M555-V620 HydrophobicContact CG-CB 4.2Å; M555-V620 PolarHBondContact O-N 3.11Å; M555-V620 HydrophobicContact SD-CG1 4.32Å; M555-S621 WeakPolarHBondContact CB-OG 3.48Å; M555-S621 PolarHBondContact N-OG 3.15Å; M555-S621 PolarHBondContact O-N 3.36Å
556V95.9Very high92.8Very high0 Ų052.1 Ų52.10%026%0.262CS..EExtended strand (participates in β ladder)trans-134.9162.1-175.1-57.90000111.2V554 F558 E565 L567 F617 S618V554-V556 HydrophobicContact CB-CG1 4.45Å; V554-V556 HydrophobicContact CG1-CG1 4.01Å; V556-F558 HydrophobicContact CG2-CD2 4.04Å; V556-F558 HydrophobicContact CG2-CE2 3.52Å; V556-F558 HydrophobicContact CG2-CZ 3.9Å; V556-E565 PolarHBondContact N-O 3.41Å; V556-E565 PolarHBondContact O-N 2.76Å; V556-L567 HydrophobicContact CB-CB 4.47Å; V556-L567 HydrophobicContact CG1-CB 3.79Å; V556-L567 HydrophobicContact CG1-CD2 4.32Å; V556-L567 HydrophobicContact CG2-CB 3.79Å; V556-F617 HydrophobicContact CB-CB 4.27Å; V556-F617 HydrophobicContact CB-CD2 3.88Å; V556-F617 HydrophobicContact CB-CG 4.34Å; V556-F617 HydrophobicContact CG1-CD2 3.65Å; V556-F617 HydrophobicContact CG1-CE2 4.03Å; V556-F617 HydrophobicContact CG2-CB 4.42Å; V556-F617 HydrophobicContact CG2-CD2 4.43Å; V556-S618 CarbonylContact C-O 3.57Å; V556-S618 VanDerWaalsContact CA-O 3.31Å; V556-S618 WeakPolarHBondContact CA-O 3.28Å
557R95.7Very high93.1Very high105 Ų10551.8 Ų51.840%0.39626%0.26SS..EExtended strand (participates in β ladder)trans-119.4112169-172.8171.8-64.4173.60.7109.4D564 F617 S618 V620R557-D564 IonicContact CZ-OD1 3.19Å; R557-D564 IonicContact NE-OD1 2.96Å; R557-D564 PolarHBondContact NE-OD1 2.97Å; R557-D564 VanDerWaalsContact NH2-CG 3.26Å; R557-D564 IonicContact NH2-OD1 3.94Å; R557-D564 PolarHBondContact NH2-OD1 3.22Å; R557-D564 IonicContact NH2-OD2 3.43Å; R557-D564 PolarHBondContact NH2-OD2 2.85Å; R557-F617 CarbonylContact O-C 3.58Å; R557-F617 VanDerWaalsContact O-CA 3.25Å; R557-F617 WeakPolarHBondContact O-CA 3.47Å; R557-F617 WeakPolarHBondContact O-CB 3.1Å; R557-S618 PolarHBondContact N-O 3.17Å; R557-S618 PolarHBondContact O-N 2.72Å; R557-V620 HydrophobicContact CB-CG2 4.17Å
558F95.6Very high93.7Very high9 Ų948.2 Ų48.24%0.03924%0.237CC..EExtended strand (participates in β ladder)trans-70.2144178.7-72.9-83.9000111.4V556 G560 S561 E565 L567 R576 W588 V615 F617V556-F558 HydrophobicContact CG2-CD2 4.04Å; V556-F558 HydrophobicContact CG2-CE2 3.52Å; V556-F558 HydrophobicContact CG2-CZ 3.9Å; F558-G560 PolarHBondContact O-N 2.98Å; F558-S561 WeakPolarHBondContact O-CB 3.28Å; F558-S561 PolarHBondContact O-N 3.46Å; F558-E565 HydrophobicContact CD2-CB 4.15Å; F558-E565 HydrophobicContact CE2-CB 4.16Å; F558-L567 HydrophobicContact CZ-CD1 4.17Å; F558-R576 HydrophobicContact CD2-CG 4.23Å; F558-R576 HydrophobicContact CE2-CB 4.19Å; F558-R576 HydrophobicContact CE2-CG 3.52Å; F558-R576 HydrophobicContact CZ-CB 3.95Å; F558-R576 HydrophobicContact CZ-CG 3.77Å; F558-W588 AromaticContact CE1-CH2 3.71Å; F558-W588 HydrophobicContact CE1-CH2 3.71Å; F558-W588 HydrophobicContact CE1-CZ3 4.18Å; F558-W588 HydrophobicContact CZ-CH2 4.03Å; F558-W588 HydrophobicContact CZ-CZ3 4.22Å; F558-V615 HydrophobicContact CD1-CG1 4.06Å; F558-V615 HydrophobicContact CE1-CG1 3.84Å; F558-F617 HydrophobicContact CD1-CB 3.9Å; F558-F617 HydrophobicContact CD1-CD1 4.34Å; F558-F617 HydrophobicContact CE1-CB 4.21Å; F558-F617 AromaticContact CE1-CD1 3.99Å; F558-F617 HydrophobicContact CE1-CD1 3.99Å; F558-F617 HydrophobicContact CE1-CG 4.36Å; F558-F617 HydrophobicContact CG-CB 4.3Å
559K93.1Very high94.2Very high161 Ų16145.2 Ų45.270%0.722%0.221SC*.THydrogen-bonded Turntrans-57.1126.4175.3-173.8176.7-179.5177.90109.7S561 A616K559-S561 VanDerWaalsContact C-N 3.28Å; K559-S561 PolarHBondContact O-N 2.94Å; K559-A616 HydrophobicContact CB-CB 4.05Å; K559-A616 WeakPolarHBondContact CB-O 3.25Å; K559-A616 HydrophobicContact CD-CB 4.08Å; K559-A616 PolarHBondContact N-O 2.93Å
560G89.1Confident94.3Very high85 Ų8543.6 Ų43.688%0.87621%0.214SC*.THydrogen-bonded Turntrans85.1-10.8-175.800000114.9F558F558-G560 PolarHBondContact O-N 2.98Å
561S91.3Very high94.3Very high30 Ų3046.4 Ų46.421%0.2123%0.227CC..  trans-88.9139.8170.3-168.60000110.4F558 K559 K563 E565F558-S561 WeakPolarHBondContact O-CB 3.28Å; F558-S561 PolarHBondContact O-N 3.46Å; K559-S561 VanDerWaalsContact C-N 3.28Å; K559-S561 PolarHBondContact O-N 2.94Å; S561-K563 PolarHBondContact OG-N 3.18Å; S561-K563 PolarHBondContact OG-O 2.95Å; S561-E565 PolarHBondContact OG-OE1 3.29Å
562R89.6Confident94.2Very high241 Ų24149.8 Ų49.891%0.90925%0.246SC*.  trans-94.7-10.5171.5-66.5-174.2-179-177.70.5112.8
563K93Very high94Very high157 Ų15754.3 Ų54.368%0.68326%0.263SS*.SBendtrans-101.5147.8-177.3-64.2-176.4-179.7-178.90109.8S561S561-K563 PolarHBondContact OG-N 3.18Å; S561-K563 PolarHBondContact OG-O 2.95Å
564D94.7Very high94.1Very high45 Ų4553.6 Ų53.624%0.24126%0.26CS..  trans-78137.9168.4-63.8-28.6000109.2M555 R557M555-D564 HydrophobicContact CG-CB 4.24Å; M555-D564 HydrophobicContact SD-CB 4.3Å; R557-D564 IonicContact CZ-OD1 3.19Å; R557-D564 IonicContact NE-OD1 2.96Å; R557-D564 PolarHBondContact NE-OD1 2.97Å; R557-D564 VanDerWaalsContact NH2-CG 3.26Å; R557-D564 IonicContact NH2-OD1 3.94Å; R557-D564 PolarHBondContact NH2-OD1 3.22Å; R557-D564 IonicContact NH2-OD2 3.43Å; R557-D564 PolarHBondContact NH2-OD2 2.85Å
565E94.4Very high94Very high10 Ų1053.9 Ų53.95%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-135.8174.1-175.1-66.8176.2-110.800108.6V556 F558 S561 R576V556-E565 PolarHBondContact N-O 3.41Å; V556-E565 PolarHBondContact O-N 2.76Å; F558-E565 HydrophobicContact CD2-CB 4.15Å; F558-E565 HydrophobicContact CE2-CB 4.16Å; S561-E565 PolarHBondContact OG-OE1 3.29Å; E565-R576 IonicContact OE1-CZ 3.04Å; E565-R576 IonicContact OE1-NE 3.62Å; E565-R576 IonicContact OE1-NH2 2.8Å; E565-R576 PolarHBondContact OE1-NH2 3.13Å; E565-R576 IonicContact OE2-CZ 3.74Å; E565-R576 VanDerWaalsContact OE2-CZ 3.23Å; E565-R576 IonicContact OE2-NE 3.4Å; E565-R576 PolarHBondContact OE2-NE 2.63Å; E565-R576 IonicContact OE2-NH2 2.66Å; E565-R576 PolarHBondContact OE2-NH2 2.91Å
566I94.9Very high94Very high0 Ų055.3 Ų55.30%027%0.265CS..EExtended strand (participates in β ladder)trans-109133.7180-67.1174.3000109.9L219 Y553 I577 L579L219-I566 HydrophobicContact CB-CD1 3.42Å; L219-I566 VanDerWaalsContact CB-CD1 3.42Å; L219-I566 HydrophobicContact CD1-CD1 4.29Å; L219-I566 HydrophobicContact CG-CD1 4.39Å; Y553-I566 HydrophobicContact CD1-CG2 3.72Å; Y553-I566 HydrophobicContact CG-CG2 4.43Å; I566-I577 HydrophobicContact CB-CB 4.06Å; I566-I577 HydrophobicContact CG2-CB 4.32Å; I566-I577 HydrophobicContact CG2-CD1 4.27Å; I566-I577 PolarHBondContact N-O 2.81Å; I566-I577 PolarHBondContact O-N 2.81Å; I566-L579 HydrophobicContact CD1-CD1 3.59Å; I566-L579 HydrophobicContact CG1-CD1 3.92Å
567L96.9Very high93.7Very high0 Ų055.8 Ų55.80%027%0.268CS..EExtended strand (participates in β ladder)trans-98.9110.9164.1-174.272.3000108.2V554 V556 F558 I569 L574 I575 W588 F617 V627V554-L567 PolarHBondContact N-O 2.69Å; V554-L567 PolarHBondContact O-N 2.87Å; V556-L567 HydrophobicContact CB-CB 4.47Å; V556-L567 HydrophobicContact CG1-CB 3.79Å; V556-L567 HydrophobicContact CG1-CD2 4.32Å; V556-L567 HydrophobicContact CG2-CB 3.79Å; F558-L567 HydrophobicContact CZ-CD1 4.17Å; L567-I569 HydrophobicContact CD2-CD1 4.27Å; L567-I569 HydrophobicContact CD2-CG1 4.09Å; L567-I569 HydrophobicContact CG-CG1 4.12Å; L567-L574 HydrophobicContact CD1-CB 4.18Å; L567-I575 CarbonylContact C-O 3.58Å; L567-I575 WeakPolarHBondContact CA-O 3.45Å; L567-W588 HydrophobicContact CD1-CZ3 4.47Å; L567-F617 HydrophobicContact CD2-CD2 4.43Å; L567-F617 HydrophobicContact CD2-CE1 4.06Å; L567-F617 HydrophobicContact CD2-CE2 3.63Å; L567-F617 HydrophobicContact CD2-CZ 3.41Å; L567-F617 VanDerWaalsContact CD2-CZ 3.41Å; L567-V627 HydrophobicContact CD2-CG1 4.01Å
568G96.2Very high93.3Very high0 Ų053 Ų530%026%0.261CS..EExtended strand (participates in β ladder)trans-82.9127.7164.500000110S552 L574 I575S552-G568 CarbonylContact O-C 3.47Å; S552-G568 WeakPolarHBondContact O-CA 3.45Å; G568-L574 CarbonylContact O-C 3.58Å; G568-L574 WeakPolarHBondContact O-CA 3.38Å; G568-I575 PolarHBondContact N-O 2.84Å; G568-I575 PolarHBondContact O-N 2.9Å
569I97.6Very high92.9Very high0 Ų055.4 Ų55.40%027%0.274CS..EExtended strand (participates in β ladder)trans-114.2113.8177.3-50169.8000107.5S552 V554 L567 L574 V627 Y630 Y634S552-I569 PolarHBondContact N-O 3.47Å; S552-I569 PolarHBondContact O-N 3.2Å; V554-I569 HydrophobicContact CG2-CD1 4.13Å; L567-I569 HydrophobicContact CD2-CD1 4.27Å; L567-I569 HydrophobicContact CD2-CG1 4.09Å; L567-I569 HydrophobicContact CG-CG1 4.12Å; I569-L574 HydrophobicContact CB-CD2 4.17Å; I569-L574 HydrophobicContact CG1-CD2 3.96Å; I569-L574 HydrophobicContact CG2-CD2 3.77Å; I569-V627 HydrophobicContact CD1-CB 4.38Å; I569-V627 HydrophobicContact CD1-CG1 3.96Å; I569-V627 HydrophobicContact CD1-CG2 4.18Å; I569-Y630 HydrophobicContact CD1-CD2 4.39Å; I569-Y630 HydrophobicContact CD1-CG 4.36Å; I569-Y634 HydrophobicContact CG2-CD2 4.16Å; I569-Y634 HydrophobicContact CG2-CE2 4.11Å
570A94.8Very high92.2Very high4 Ų452.4 Ų52.43%0.03328%0.279CS..EExtended strand (participates in β ladder)trans-114.2171173.800000110G550 I551 N572 R573G550-A570 WeakPolarHBondContact O-CA 3.42Å; I551-A570 HydrophobicContact CG1-CB 4.43Å; A570-N572 PolarHBondContact O-N 3.4Å; A570-R573 HydrophobicContact CB-CG 4Å; A570-R573 PolarHBondContact N-O 3.33Å; A570-R573 PolarHBondContact O-N 3.33Å
571N92.8Very high91.7Very high65 Ų6553.3 Ų53.335%0.34827%0.267SS..THydrogen-bonded Turntrans-58.1-25.2-174.567.6-16.8000115.3F590 Y634N571-F590 WeakPolarHBondContact O-CD2 3.47Å; N571-Y634 VanDerWaalsContact CA-CD1 3.49Å; N571-Y634 HydrophobicContact CB-CD1 3.7Å; N571-Y634 HydrophobicContact CB-CE1 3.62Å; N571-Y634 HydrophobicContact CB-CG 4.41Å
572N90.4Very high91.2Very high89 Ų8953.3 Ų53.348%0.47627%0.272SS..THydrogen-bonded Turntrans-127.31.1-175.765.81.6000114.3A570 F590A570-N572 PolarHBondContact O-N 3.4Å; N572-F590 PolarHBondContact O-N 2.92Å
573R93.1Very high90.7Very high94 Ų9446.9 Ų46.936%0.35526%0.255SS..EExtended strand (participates in β ladder)trans-160.3153.3-171.566.3-169.1179.5-175.61113.6A570 I575 T587 W588A570-R573 HydrophobicContact CB-CG 4Å; A570-R573 PolarHBondContact N-O 3.33Å; A570-R573 PolarHBondContact O-N 3.33Å; R573-I575 HydrophobicContact CG-CD1 4.33Å; R573-I575 HydrophobicContact CG-CG1 4.1Å; R573-T587 HydrophobicContact CB-CG2 4.12Å; R573-T587 HydrophobicContact CG-CG2 4.37Å; R573-W588 CarbonylContact C-O 3.57Å; R573-W588 WeakPolarHBondContact CA-O 3.45Å; R573-W588 VanDerWaalsContact CB-O 3.27Å; R573-W588 WeakPolarHBondContact CB-O 3.45Å
574L96.6Very high90.3Very high1 Ų143.6 Ų43.61%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-103.4142.3164.2-57.1-180000109.7L567 G568 I569 T587 W588 F590 M593 I607 F609L567-L574 HydrophobicContact CD1-CB 4.18Å; G568-L574 CarbonylContact O-C 3.58Å; G568-L574 WeakPolarHBondContact O-CA 3.38Å; I569-L574 HydrophobicContact CB-CD2 4.17Å; I569-L574 HydrophobicContact CG1-CD2 3.96Å; I569-L574 HydrophobicContact CG2-CD2 3.77Å; L574-T587 CarbonylContact O-C 3.53Å; L574-T587 WeakPolarHBondContact O-CA 3.4Å; L574-W588 HydrophobicContact CB-CB 4.48Å; L574-W588 HydrophobicContact CB-CE3 3.99Å; L574-W588 PolarHBondContact N-O 3.31Å; L574-W588 PolarHBondContact O-N 2.8Å; L574-F590 HydrophobicContact CD1-CE1 4.34Å; L574-F590 HydrophobicContact CD2-CE1 3.68Å; L574-F590 HydrophobicContact CD2-CZ 4.1Å; L574-F590 HydrophobicContact CG-CD1 4.42Å; L574-F590 HydrophobicContact CG-CE1 3.66Å; L574-M593 HydrophobicContact CD1-CE 4.33Å; L574-I607 HydrophobicContact CD1-CD1 3.34Å; L574-F609 HydrophobicContact CD1-CZ 4.32Å
575I93.8Very high90Very high6 Ų645.2 Ų45.23%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-129.3123.3-175.6-47176.4000107.9I551 L567 G568 R573 I577 V584 K586I551-I575 HydrophobicContact CD1-CD1 3.97Å; I551-I575 HydrophobicContact CG1-CD1 4.42Å; L567-I575 CarbonylContact C-O 3.58Å; L567-I575 WeakPolarHBondContact CA-O 3.45Å; G568-I575 PolarHBondContact N-O 2.84Å; G568-I575 PolarHBondContact O-N 2.9Å; R573-I575 HydrophobicContact CG-CD1 4.33Å; R573-I575 HydrophobicContact CG-CG1 4.1Å; I575-I577 HydrophobicContact CB-CG1 4.46Å; I575-I577 HydrophobicContact CG2-CD1 4.27Å; I575-I577 HydrophobicContact CG2-CG1 3.81Å; I575-V584 HydrophobicContact CG2-CB 4.19Å; I575-V584 HydrophobicContact CG2-CG1 3.5Å; I575-V584 HydrophobicContact CG2-CG2 3.76Å; I575-K586 CarbonylContact C-O 3.59Å
576R94.9Very high89.8Confident60 Ų6049.5 Ų49.523%0.22628%0.278CS..EExtended strand (participates in β ladder)trans-89.4122.6168.5177.6174-179.1-178.33.1108.6F558 E565 V585 K586 W588F558-R576 HydrophobicContact CD2-CG 4.23Å; F558-R576 HydrophobicContact CE2-CB 4.19Å; F558-R576 HydrophobicContact CE2-CG 3.52Å; F558-R576 HydrophobicContact CZ-CB 3.95Å; F558-R576 HydrophobicContact CZ-CG 3.77Å; E565-R576 IonicContact OE1-CZ 3.04Å; E565-R576 IonicContact OE1-NE 3.62Å; E565-R576 IonicContact OE1-NH2 2.8Å; E565-R576 PolarHBondContact OE1-NH2 3.13Å; E565-R576 IonicContact OE2-CZ 3.74Å; E565-R576 VanDerWaalsContact OE2-CZ 3.23Å; E565-R576 IonicContact OE2-NE 3.4Å; E565-R576 PolarHBondContact OE2-NE 2.63Å; E565-R576 IonicContact OE2-NH2 2.66Å; E565-R576 PolarHBondContact OE2-NH2 2.91Å; R576-V585 HydrophobicContact CG-CB 4.1Å; R576-V585 PolarHBondContact O-N 2.68Å; R576-K586 HydrophobicContact CB-CB 4.27Å; R576-K586 PolarHBondContact N-O 3.15Å; R576-K586 PolarHBondContact O-N 2.91Å; R576-W588 HydrophobicContact CB-CH2 3.64Å; R576-W588 HydrophobicContact CB-CZ3 3.61Å; R576-W588 HydrophobicContact CG-CH2 4.42Å
577I90.3Very high89.6Confident9 Ų952.5 Ų52.55%0.04630%0.297CS..EExtended strand (participates in β ladder)trans-120.2131.1-176.1-59.7168.6000108.4L219 Y553 I566 I575 L579 G582 D583 V584L219-I577 HydrophobicContact CD1-CG2 4.29Å; Y553-I577 HydrophobicContact CD1-CD1 4.2Å; Y553-I577 HydrophobicContact CE1-CD1 3.79Å; I566-I577 HydrophobicContact CB-CB 4.06Å; I566-I577 HydrophobicContact CG2-CB 4.32Å; I566-I577 HydrophobicContact CG2-CD1 4.27Å; I566-I577 PolarHBondContact N-O 2.81Å; I566-I577 PolarHBondContact O-N 2.81Å; I575-I577 HydrophobicContact CB-CG1 4.46Å; I575-I577 HydrophobicContact CG2-CD1 4.27Å; I575-I577 HydrophobicContact CG2-CG1 3.81Å; I577-L579 PolarHBondContact O-N 3.44Å; I577-G582 WeakPolarHBondContact CG2-O 3.42Å; I577-D583 WeakPolarHBondContact CA-O 3.4Å; I577-V584 HydrophobicContact CG1-CG2 4.47Å
578D86.2Confident89.5Confident47 Ų4753.4 Ų53.425%0.25130%0.3SS..  trans-69.8127.7174.1-176.9-84.9000109.6A580 V581 G582 D583 V585D578-A580 VanDerWaalsContact C-N 3.31Å; D578-A580 PolarHBondContact O-N 3.02Å; D578-A580 WeakPolarHBondContact OD1-CA 3.03Å; D578-A580 WeakPolarHBondContact OD1-CB 3.32Å; D578-A580 PolarHBondContact OD1-N 2.67Å; D578-V581 PolarHBondContact OD1-N 3.43Å; D578-G582 VanDerWaalsContact O-CA 3.23Å; D578-G582 WeakPolarHBondContact O-CA 3.45Å; D578-G582 PolarHBondContact O-N 2.91Å; D578-D583 PolarHBondContact N-O 2.84Å; D578-V585 HydrophobicContact CB-CG2 3.83Å
579L86.4Confident89.3Confident60 Ų6061.3 Ų61.331%0.31433%0.33SS..THydrogen-bonded Turntrans-69-28.9-175.3-179.163.6000113.1M555 I566 I577M555-L579 HydrophobicContact CE-CD1 4.32Å; M555-L579 HydrophobicContact CE-CD2 4.34Å; I566-L579 HydrophobicContact CD1-CD1 3.59Å; I566-L579 HydrophobicContact CG1-CD1 3.92Å; I577-L579 PolarHBondContact O-N 3.44Å
580A79.9Confident88.9Confident97 Ų9762.6 Ų62.680%0.80234%0.336SS*.THydrogen-bonded Turntrans-83-41.7-174.200000112.1D578D578-A580 VanDerWaalsContact C-N 3.31Å; D578-A580 PolarHBondContact O-N 3.02Å; D578-A580 WeakPolarHBondContact OD1-CA 3.03Å; D578-A580 WeakPolarHBondContact OD1-CB 3.32Å; D578-A580 PolarHBondContact OD1-N 2.67Å
581V79Confident88.7Confident104 Ų10466.8 Ų66.863%0.6337%0.365SS*.THydrogen-bonded Turntrans-98.3-28.4-176.9-168.70000112.1D578 D583D578-V581 PolarHBondContact OD1-N 3.43Å; V581-D583 VanDerWaalsContact C-N 3.29Å; V581-D583 HydrophobicContact CG1-CB 4.4Å; V581-D583 WeakPolarHBondContact CG1-OD2 3.49Å
582G78.8Confident88.7Confident30 Ų3067.1 Ų67.131%0.30937%0.366SS..  trans82.84.4-174.300000114.1I577 D578I577-G582 WeakPolarHBondContact CG2-O 3.42Å; D578-G582 VanDerWaalsContact O-CA 3.23Å; D578-G582 WeakPolarHBondContact O-CA 3.45Å; D578-G582 PolarHBondContact O-N 2.91Å
583D80Confident88.8Confident106 Ų10664.2 Ų64.257%0.56735%0.35SS*.  trans-77.7147.3-179.8-74.6-20.1000112.3I577 D578 V581 V585I577-D583 WeakPolarHBondContact CA-O 3.4Å; D578-D583 PolarHBondContact N-O 2.84Å; V581-D583 VanDerWaalsContact C-N 3.29Å; V581-D583 HydrophobicContact CG1-CB 4.4Å; V581-D583 WeakPolarHBondContact CG1-OD2 3.49Å; D583-V585 PolarHBondContact O-N 3.13Å
584V85.4Confident88.8Confident88 Ų8866.6 Ų66.653%0.53336%0.359SS..EExtended strand (participates in β ladder)trans-72114172.4176.60000109.6I575 I577I575-V584 HydrophobicContact CG2-CB 4.19Å; I575-V584 HydrophobicContact CG2-CG1 3.5Å; I575-V584 HydrophobicContact CG2-CG2 3.76Å; I577-V584 HydrophobicContact CG1-CG2 4.47Å
585V88.1Confident88.6Confident79 Ų7970.8 Ų70.848%0.47938%0.379SS..EExtended strand (participates in β ladder)trans-83-45177.3179.30000110.8R576 D578 D583R576-V585 HydrophobicContact CG-CB 4.1Å; R576-V585 PolarHBondContact O-N 2.68Å; D578-V585 HydrophobicContact CB-CG2 3.83Å; D583-V585 PolarHBondContact O-N 3.13Å
586K89.3Confident88.7Confident101 Ų10172.7 Ų72.744%0.43939%0.386SS..EExtended strand (participates in β ladder)trans-154147.1-177.1-164.3160.5-176.5172.30111.3I575 R576 W588I575-K586 CarbonylContact C-O 3.59Å; R576-K586 HydrophobicContact CB-CB 4.27Å; R576-K586 PolarHBondContact N-O 3.15Å; R576-K586 PolarHBondContact O-N 2.91Å; K586-W588 HydrophobicContact CB-CH2 4.37Å; K586-W588 HydrophobicContact CB-CZ2 4.21Å; K586-W588 HydrophobicContact CD-CZ2 3.78Å; K586-W588 HydrophobicContact CG-CD2 4.45Å; K586-W588 HydrophobicContact CG-CZ2 4Å
587T92Very high88.6Confident63 Ų6374.4 Ų74.439%0.38740%0.4SS..EExtended strand (participates in β ladder)trans-126.4132.4176.6-60.60000109.4R573 L574R573-T587 HydrophobicContact CB-CG2 4.12Å; R573-T587 HydrophobicContact CG-CG2 4.37Å; L574-T587 CarbonylContact O-C 3.53Å; L574-T587 WeakPolarHBondContact O-CA 3.4Å
588W94.3Very high88.7Confident18 Ų1875.2 Ų75.27%0.06841%0.405CS..EExtended strand (participates in β ladder)trans-118.3133174.7-55.7-87.5000109.7F558 L567 R573 L574 R576 K586 F609 V615F558-W588 AromaticContact CE1-CH2 3.71Å; F558-W588 HydrophobicContact CE1-CH2 3.71Å; F558-W588 HydrophobicContact CE1-CZ3 4.18Å; F558-W588 HydrophobicContact CZ-CH2 4.03Å; F558-W588 HydrophobicContact CZ-CZ3 4.22Å; L567-W588 HydrophobicContact CD1-CZ3 4.47Å; R573-W588 CarbonylContact C-O 3.57Å; R573-W588 WeakPolarHBondContact CA-O 3.45Å; R573-W588 VanDerWaalsContact CB-O 3.27Å; R573-W588 WeakPolarHBondContact CB-O 3.45Å; L574-W588 HydrophobicContact CB-CB 4.48Å; L574-W588 HydrophobicContact CB-CE3 3.99Å; L574-W588 PolarHBondContact N-O 3.31Å; L574-W588 PolarHBondContact O-N 2.8Å; R576-W588 HydrophobicContact CB-CH2 3.64Å; R576-W588 HydrophobicContact CB-CZ3 3.61Å; R576-W588 HydrophobicContact CG-CH2 4.42Å; K586-W588 HydrophobicContact CB-CH2 4.37Å; K586-W588 HydrophobicContact CB-CZ2 4.21Å; K586-W588 HydrophobicContact CD-CZ2 3.78Å; K586-W588 HydrophobicContact CG-CD2 4.45Å; K586-W588 HydrophobicContact CG-CZ2 4Å; W588-F609 HydrophobicContact CB-CD1 4.28Å; W588-F609 HydrophobicContact CB-CE1 3.61Å; W588-F609 HydrophobicContact CB-CE2 3.88Å; W588-F609 HydrophobicContact CB-CZ 3.37Å; W588-F609 AromaticContact CD1-CD2 4Å; W588-F609 AromaticContact CD1-CE2 3.85Å; W588-F609 HydrophobicContact CG-CD2 4.43Å; W588-F609 HydrophobicContact CG-CE1 4.43Å; W588-F609 AromaticContact CG-CE2 3.87Å; W588-F609 HydrophobicContact CG-CE2 3.87Å; W588-F609 AromaticContact CG-CZ 3.88Å; W588-F609 HydrophobicContact CG-CZ 3.88Å; W588-V615 HydrophobicContact CD2-CG2 4.29Å; W588-V615 HydrophobicContact CH2-CG1 4Å; W588-V615 HydrophobicContact CH2-CG2 4.49Å; W588-V615 HydrophobicContact CZ2-CB 4.48Å; W588-V615 HydrophobicContact CZ2-CG1 3.92Å; W588-V615 HydrophobicContact CZ2-CG2 3.65Å
589R91.4Very high88.9Confident167 Ų16776.3 Ų76.363%0.6341%0.411SS*.EExtended strand (participates in β ladder)trans-93.2142.1-179-63.9-171.8179.4-169.41.1110.9S591 N592 F609R589-S591 WeakPolarHBondContact CB-OG 3.28Å; R589-S591 PolarHBondContact O-N 3.07Å; R589-N592 PolarHBondContact O-N 3.22Å; R589-F609 WeakPolarHBondContact O-CE1 3.45Å
590F90.2Very high88.9Confident27 Ų2777.4 Ų77.412%0.11841%0.411CS..G310 helixtrans-62.9-31.3174-76.2-0.6000112.6N571 N572 L574 N592 M593 I631 Y634N571-F590 WeakPolarHBondContact O-CD2 3.47Å; N572-F590 PolarHBondContact O-N 2.92Å; L574-F590 HydrophobicContact CD1-CE1 4.34Å; L574-F590 HydrophobicContact CD2-CE1 3.68Å; L574-F590 HydrophobicContact CD2-CZ 4.1Å; L574-F590 HydrophobicContact CG-CD1 4.42Å; L574-F590 HydrophobicContact CG-CE1 3.66Å; F590-N592 PolarHBondContact O-N 2.86Å; F590-M593 HydrophobicContact CD1-CE 3.53Å; F590-M593 HydrophobicContact CE1-CE 3.64Å; F590-M593 HydrophobicContact CG-CE 4.45Å; F590-M593 VanDerWaalsContact O-CB 3.28Å; F590-M593 WeakPolarHBondContact O-CB 3.49Å; F590-M593 PolarHBondContact O-N 2.85Å; F590-I631 HydrophobicContact CZ-CG1 4.41Å; F590-Y634 HydrophobicContact CE2-CD2 4.42Å; F590-Y634 HydrophobicContact CE2-CG 4.42Å
591S90.3Very high89.2Confident92 Ų9280 Ų8064%0.64341%0.411SS*.G310 helixtrans-56.9-23.5175.357.30000114.3R589R589-S591 WeakPolarHBondContact CB-OG 3.28Å; R589-S591 PolarHBondContact O-N 3.07Å
592N91.8Very high89.6Confident72 Ų7279.9 Ų79.939%0.38541%0.406SS..G310 helixtrans-104.32.3-178.5-57.724.9000111.1R589 F590 F609 D610R589-N592 PolarHBondContact O-N 3.22Å; F590-N592 PolarHBondContact O-N 2.86Å; N592-F609 HydrophobicContact CB-CD1 4.36Å; N592-F609 CarbonylContact O-C 3.53Å; N592-F609 WeakPolarHBondContact O-CA 3.38Å; N592-F609 WeakPolarHBondContact O-CB 3.35Å; N592-D610 WeakPolarHBondContact CA-OD2 3.47Å; N592-D610 HydrophobicContact CB-CB 4.38Å; N592-D610 PolarHBondContact O-N 2.98Å
593M92.6Very high90.1Very high28 Ų2887 Ų8714%0.13842%0.423CS..EExtended strand (participates in β ladder)trans-79.6127.1179.8-172.9-178.1-58.500108.8L574 F590 W596 I607 F609 I631 I635L574-M593 HydrophobicContact CD1-CE 4.33Å; F590-M593 HydrophobicContact CD1-CE 3.53Å; F590-M593 HydrophobicContact CE1-CE 3.64Å; F590-M593 HydrophobicContact CG-CE 4.45Å; F590-M593 VanDerWaalsContact O-CB 3.28Å; F590-M593 WeakPolarHBondContact O-CB 3.49Å; F590-M593 PolarHBondContact O-N 2.85Å; M593-W596 HydrophobicContact SD-CB 4.48Å; M593-W596 HydrophobicContact SD-CE3 3.97Å; M593-I607 HydrophobicContact CE-CD1 4.5Å; M593-I607 HydrophobicContact CE-CG2 3.81Å; M593-I607 HydrophobicContact CG-CG2 3.75Å; M593-I607 HydrophobicContact SD-CG2 3.9Å; M593-F609 HydrophobicContact CB-CD1 4.06Å; M593-F609 HydrophobicContact CB-CE1 3.94Å; M593-F609 HydrophobicContact CE-CE1 4.1Å; M593-F609 HydrophobicContact CE-CZ 4.19Å; M593-F609 HydrophobicContact CG-CE1 4.34Å; M593-I631 HydrophobicContact CE-CG2 4.08Å; M593-I631 HydrophobicContact SD-CG2 3.9Å; M593-I635 HydrophobicContact SD-CD1 4.44Å
594R93.1Very high90.7Very high143 Ų14384.2 Ų84.254%0.5441%0.407SS..EExtended strand (participates in β ladder)trans-91.8-48.1176.6-66.6-175.3172.3-165.4-4.7111.7E608 D610R594-E608 HydrophobicContact CB-CG 4.46Å; R594-E608 PolarHBondContact N-O 3.36Å; R594-D610 IonicContact CZ-OD1 3.64Å; R594-D610 VanDerWaalsContact CZ-OD1 3.22Å; R594-D610 IonicContact NE-OD1 3.28Å; R594-D610 PolarHBondContact NE-OD1 3.29Å; R594-D610 IonicContact NH2-OD1 2.63Å; R594-D610 PolarHBondContact NH2-OD1 3.15Å
595Q93.1Very high91.2Very high90 Ų9080 Ų8042%0.42138%0.382SS..EExtended strand (participates in β ladder)trans-160.1157.6-178.656.5178.4-11.100110.3E608Q595-E608 HydrophobicContact CG-CB 3.97Å; Q595-E608 PolarHBondContact NE2-OE2 2.83Å; Q595-E608 PolarHBondContact O-N 3.33Å
596W94.9Very high91.6Very high45 Ų4578.2 Ų78.217%0.1738%0.375CS..EExtended strand (participates in β ladder)trans-132143.6165.774.7106.8000109.8M593 A606 I607 H628 I631 I635 L656M593-W596 HydrophobicContact SD-CB 4.48Å; M593-W596 HydrophobicContact SD-CE3 3.97Å; W596-A606 CarbonylContact C-O 3.6Å; W596-A606 VanDerWaalsContact CA-O 3.28Å; W596-A606 WeakPolarHBondContact CA-O 3.48Å; W596-I607 HydrophobicContact CB-CB 4.42Å; W596-I607 HydrophobicContact CB-CG1 3.95Å; W596-I607 HydrophobicContact CB-CG2 4.33Å; W596-H628 AromaticContact CD1-ND1 3.63Å; W596-H628 AromaticContact CE2-ND1 3.91Å; W596-H628 AromaticContact NE1-CE1 3.42Å; W596-H628 PolarHBondContact NE1-CE1 3.08Å; W596-H628 AromaticContact NE1-CG 3.88Å; W596-H628 AromaticContact NE1-ND1 2.89Å; W596-H628 PolarHBondContact NE1-ND1 2.91Å; W596-I631 HydrophobicContact CD2-CG2 3.79Å; W596-I631 HydrophobicContact CE3-CG2 4Å; W596-I631 HydrophobicContact CG-CG2 4.22Å; W596-I631 HydrophobicContact CH2-CG2 4.45Å; W596-I631 HydrophobicContact CZ2-CG2 4.23Å; W596-I631 HydrophobicContact CZ3-CG2 4.33Å; W596-I635 HydrophobicContact CE3-CD1 4.18Å; W596-I635 HydrophobicContact CH2-CD1 3.82Å; W596-I635 HydrophobicContact CZ3-CD1 3.46Å; W596-I635 VanDerWaalsContact CZ3-CD1 3.46Å; W596-L656 HydrophobicContact CH2-CD2 3.96Å
597N92.8Very high91.9Very high97 Ų9773.6 Ų73.652%0.51936%0.355SS..EExtended strand (participates in β ladder)trans-126.5142.8179-71.8-51.6000109A606N597-A606 PolarHBondContact N-O 3.09Å; N597-A606 PolarHBondContact O-N 2.98Å
598V92.4Very high92.1Very high25 Ų2572.8 Ų72.815%0.15235%0.347CS..EExtended strand (participates in β ladder)trans-117.4121.1176.2-169.60000108.3W600 V605 C624 H628V598-W600 HydrophobicContact CB-CD2 4.42Å; V598-W600 HydrophobicContact CB-CE3 4.46Å; V598-W600 HydrophobicContact CB-CH2 4.05Å; V598-W600 HydrophobicContact CB-CZ2 4.03Å; V598-W600 HydrophobicContact CB-CZ3 4.25Å; V598-W600 HydrophobicContact CG1-CD2 3.92Å; V598-W600 HydrophobicContact CG1-CE3 3.57Å; V598-W600 HydrophobicContact CG1-CH2 3.77Å; V598-W600 HydrophobicContact CG1-CZ2 4.12Å; V598-W600 HydrophobicContact CG1-CZ3 3.46Å; V598-W600 VanDerWaalsContact CG1-CZ3 3.46Å; V598-W600 HydrophobicContact CG2-CH2 4.32Å; V598-V605 HydrophobicContact CG1-CG2 4.37Å; V598-V605 HydrophobicContact CG2-CG2 4.38Å; V598-C624 HydrophobicContact CG1-CB 4.18Å; V598-H628 HydrophobicContact CG2-CB 3.81Å; V598-H628 WeakPolarHBondContact CG2-ND1 3.37Å
599N90.8Very high92.1Very high71 Ų7172.2 Ų72.238%0.3835%0.345SS..EExtended strand (participates in β ladder)trans-91.8106.4168.1-173.7-41.7000108.3D601 I602 R603 Q604N599-D601 WeakPolarHBondContact OD1-CB 3.48Å; N599-D601 PolarHBondContact OD1-N 3.34Å; N599-D601 VanDerWaalsContact OD1-N 3.08Å; N599-I602 HydrophobicContact CB-CD1 4.3Å; N599-I602 HydrophobicContact CB-CG1 3.77Å; N599-I602 VanDerWaalsContact CG-CG1 3.43Å; N599-I602 WeakPolarHBondContact OD1-CG1 3.37Å; N599-I602 PolarHBondContact OD1-N 3.23Å; N599-R603 CarbonylContact O-C 3.56Å; N599-R603 VanDerWaalsContact O-CA 3.26Å; N599-R603 WeakPolarHBondContact O-CA 3.44Å; N599-R603 PolarHBondContact O-N 3.2Å; N599-Q604 PolarHBondContact N-O 3.37Å; N599-Q604 PolarHBondContact O-N 3.08Å
600W87.3Confident92Very high83 Ų8367 Ų6731%0.31433%0.329SS..THydrogen-bonded Turntrans-68.2-32.6-177-56.9117000113.2V598 R603 R625 H628V598-W600 HydrophobicContact CB-CD2 4.42Å; V598-W600 HydrophobicContact CB-CE3 4.46Å; V598-W600 HydrophobicContact CB-CH2 4.05Å; V598-W600 HydrophobicContact CB-CZ2 4.03Å; V598-W600 HydrophobicContact CB-CZ3 4.25Å; V598-W600 HydrophobicContact CG1-CD2 3.92Å; V598-W600 HydrophobicContact CG1-CE3 3.57Å; V598-W600 HydrophobicContact CG1-CH2 3.77Å; V598-W600 HydrophobicContact CG1-CZ2 4.12Å; V598-W600 HydrophobicContact CG1-CZ3 3.46Å; V598-W600 VanDerWaalsContact CG1-CZ3 3.46Å; V598-W600 HydrophobicContact CG2-CH2 4.32Å; W600-R603 PolarHBondContact O-N 2.91Å; W600-R625 HydrophobicContact CE3-CG 4.03Å; W600-R625 HydrophobicContact CH2-CB 4.39Å; W600-R625 HydrophobicContact CH2-CG 3.58Å; W600-R625 HydrophobicContact CZ3-CB 4.12Å; W600-R625 HydrophobicContact CZ3-CG 3.17Å; W600-H628 HydrophobicContact CH2-CB 4.36Å
601D85.5Confident92Very high152 Ų15273.4 Ų73.481%0.81336%0.36SS*.THydrogen-bonded Turntrans-66.9-47.5-177.7-62.1-37.6000111.4N599N599-D601 WeakPolarHBondContact OD1-CB 3.48Å; N599-D601 PolarHBondContact OD1-N 3.34Å; N599-D601 VanDerWaalsContact OD1-N 3.08Å
602I87.3Confident91.8Very high101 Ų10176.2 Ų76.252%0.51836%0.362SS..THydrogen-bonded Turntrans-95.45177.863.7163.5000113.2N599 Q604N599-I602 HydrophobicContact CB-CD1 4.3Å; N599-I602 HydrophobicContact CB-CG1 3.77Å; N599-I602 VanDerWaalsContact CG-CG1 3.43Å; N599-I602 WeakPolarHBondContact OD1-CG1 3.37Å; N599-I602 PolarHBondContact OD1-N 3.23Å; I602-Q604 HydrophobicContact CD1-CB 3.78Å; I602-Q604 HydrophobicContact CG1-CB 3.86Å; I602-Q604 PolarHBondContact O-N 3.42Å
603R89.1Confident91.8Very high178 Ų17875.7 Ų75.767%0.67236%0.359SS*.THydrogen-bonded Turntrans50.541.8179.3-56-178.9-179.4-170.80.4113.6N599 W600N599-R603 CarbonylContact O-C 3.56Å; N599-R603 VanDerWaalsContact O-CA 3.26Å; N599-R603 WeakPolarHBondContact O-CA 3.44Å; N599-R603 PolarHBondContact O-N 3.2Å; W600-R603 PolarHBondContact O-N 2.91Å
604Q93.1Very high91.8Very high49 Ų4979.7 Ų79.723%0.22938%0.381CS..EExtended strand (participates in β ladder)trans-112.5133.4-176.4-179.2169.779.300110.6N599 I602 A616 F617N599-Q604 PolarHBondContact N-O 3.37Å; N599-Q604 PolarHBondContact O-N 3.08Å; I602-Q604 HydrophobicContact CD1-CB 3.78Å; I602-Q604 HydrophobicContact CG1-CB 3.86Å; I602-Q604 PolarHBondContact O-N 3.42Å; Q604-A616 HydrophobicContact CG-CB 4.4Å; Q604-F617 WeakPolarHBondContact CA-O 3.3Å
605V96.1Very high91.9Very high0 Ų073.6 Ų73.60%036%0.359CS..EExtended strand (participates in β ladder)trans-98.4132.1169-174.70000107.8V598 I607 A616 F617 C624V598-V605 HydrophobicContact CG1-CG2 4.37Å; V598-V605 HydrophobicContact CG2-CG2 4.38Å; V605-I607 HydrophobicContact CG1-CD1 4.34Å; V605-I607 HydrophobicContact CG1-CG1 4.01Å; V605-A616 CarbonylContact O-C 3.56Å; V605-A616 VanDerWaalsContact O-CA 3.23Å; V605-A616 WeakPolarHBondContact O-CA 3.16Å; V605-F617 HydrophobicContact CB-CD2 4.39Å; V605-F617 HydrophobicContact CB-CE1 4.24Å; V605-F617 HydrophobicContact CB-CE2 3.81Å; V605-F617 HydrophobicContact CB-CZ 3.72Å; V605-F617 HydrophobicContact CG1-CE1 4.32Å; V605-F617 HydrophobicContact CG1-CE2 4.43Å; V605-F617 HydrophobicContact CG1-CZ 3.88Å; V605-F617 HydrophobicContact CG2-CE2 4.02Å; V605-F617 HydrophobicContact CG2-CZ 4.29Å; V605-F617 PolarHBondContact N-O 3.02Å; V605-F617 PolarHBondContact O-N 2.92Å; V605-C624 HydrophobicContact CG2-CB 3.93Å
606A96.2Very high92Very high40 Ų4070.2 Ų70.233%0.33135%0.346SS..EExtended strand (participates in β ladder)trans-123130.8173.700000109.2W596 N597 V615 A616W596-A606 CarbonylContact C-O 3.6Å; W596-A606 VanDerWaalsContact CA-O 3.28Å; W596-A606 WeakPolarHBondContact CA-O 3.48Å; N597-A606 PolarHBondContact N-O 3.09Å; N597-A606 PolarHBondContact O-N 2.98Å; A606-V615 CarbonylContact C-O 3.57Å; A606-V615 WeakPolarHBondContact CA-O 3.49Å; A606-A616 HydrophobicContact CB-CB 4.28Å
607I96.6Very high92.1Very high4 Ų468.1 Ų68.12%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-127126.9-175.9-49.6-178.9000108L574 M593 W596 V605 F609 V615 F617 I631L574-I607 HydrophobicContact CD1-CD1 3.34Å; M593-I607 HydrophobicContact CE-CD1 4.5Å; M593-I607 HydrophobicContact CE-CG2 3.81Å; M593-I607 HydrophobicContact CG-CG2 3.75Å; M593-I607 HydrophobicContact SD-CG2 3.9Å; W596-I607 HydrophobicContact CB-CB 4.42Å; W596-I607 HydrophobicContact CB-CG1 3.95Å; W596-I607 HydrophobicContact CB-CG2 4.33Å; V605-I607 HydrophobicContact CG1-CD1 4.34Å; V605-I607 HydrophobicContact CG1-CG1 4.01Å; I607-F609 HydrophobicContact CB-CE2 3.91Å; I607-F609 HydrophobicContact CB-CZ 4.34Å; I607-F609 HydrophobicContact CG2-CD2 4.07Å; I607-F609 HydrophobicContact CG2-CE1 4.19Å; I607-F609 HydrophobicContact CG2-CE2 3.46Å; I607-F609 VanDerWaalsContact CG2-CE2 3.46Å; I607-F609 HydrophobicContact CG2-CZ 3.52Å; I607-V615 PolarHBondContact N-O 2.74Å; I607-V615 PolarHBondContact O-N 3.22Å; I607-F617 HydrophobicContact CD1-CE1 4.02Å; I607-F617 HydrophobicContact CD1-CZ 4.4Å; I607-I631 HydrophobicContact CD1-CD1 3.77Å
608E96.5Very high92.3Very high47 Ų4765.3 Ų65.322%0.2233%0.327CS..EExtended strand (participates in β ladder)trans-100.3124173.6-177.8174.7179.700109.2R594 Q595 N614R594-E608 HydrophobicContact CB-CG 4.46Å; R594-E608 PolarHBondContact N-O 3.36Å; Q595-E608 HydrophobicContact CG-CB 3.97Å; Q595-E608 PolarHBondContact NE2-OE2 2.83Å; Q595-E608 PolarHBondContact O-N 3.33Å; E608-N614 WeakPolarHBondContact CG-OD1 3.46Å
609F93.8Very high92.3Very high6 Ų665.1 Ų65.13%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-106.3167.4170.5-61.9-88.1000110.3L574 W588 R589 N592 M593 I607 I613 V615L574-F609 HydrophobicContact CD1-CZ 4.32Å; W588-F609 HydrophobicContact CB-CD1 4.28Å; W588-F609 HydrophobicContact CB-CE1 3.61Å; W588-F609 HydrophobicContact CB-CE2 3.88Å; W588-F609 HydrophobicContact CB-CZ 3.37Å; W588-F609 AromaticContact CD1-CD2 4Å; W588-F609 AromaticContact CD1-CE2 3.85Å; W588-F609 HydrophobicContact CG-CD2 4.43Å; W588-F609 HydrophobicContact CG-CE1 4.43Å; W588-F609 AromaticContact CG-CE2 3.87Å; W588-F609 HydrophobicContact CG-CE2 3.87Å; W588-F609 AromaticContact CG-CZ 3.88Å; W588-F609 HydrophobicContact CG-CZ 3.88Å; R589-F609 WeakPolarHBondContact O-CE1 3.45Å; N592-F609 HydrophobicContact CB-CD1 4.36Å; N592-F609 CarbonylContact O-C 3.53Å; N592-F609 WeakPolarHBondContact O-CA 3.38Å; N592-F609 WeakPolarHBondContact O-CB 3.35Å; M593-F609 HydrophobicContact CB-CD1 4.06Å; M593-F609 HydrophobicContact CB-CE1 3.94Å; M593-F609 HydrophobicContact CE-CE1 4.1Å; M593-F609 HydrophobicContact CE-CZ 4.19Å; M593-F609 HydrophobicContact CG-CE1 4.34Å; I607-F609 HydrophobicContact CB-CE2 3.91Å; I607-F609 HydrophobicContact CB-CZ 4.34Å; I607-F609 HydrophobicContact CG2-CD2 4.07Å; I607-F609 HydrophobicContact CG2-CE1 4.19Å; I607-F609 HydrophobicContact CG2-CE2 3.46Å; I607-F609 VanDerWaalsContact CG2-CE2 3.46Å; I607-F609 HydrophobicContact CG2-CZ 3.52Å; F609-I613 HydrophobicContact CB-CB 4.13Å; F609-I613 HydrophobicContact CB-CG2 4.47Å; F609-I613 HydrophobicContact CD2-CG2 4.44Å; F609-I613 PolarHBondContact N-O 3.28Å; F609-V615 HydrophobicContact CD2-CG2 4.09Å; F609-V615 HydrophobicContact CE2-CB 4.31Å; F609-V615 HydrophobicContact CE2-CG2 3.86Å
610D89.6Confident92.3Very high56 Ų5665 Ų6530%0.29933%0.328SS..THydrogen-bonded Turntrans-51.4162.1168.7-73.1-42.1000112.8N592 R594 H612 I613N592-D610 WeakPolarHBondContact CA-OD2 3.47Å; N592-D610 HydrophobicContact CB-CB 4.38Å; N592-D610 PolarHBondContact O-N 2.98Å; R594-D610 IonicContact CZ-OD1 3.64Å; R594-D610 VanDerWaalsContact CZ-OD1 3.22Å; R594-D610 IonicContact NE-OD1 3.28Å; R594-D610 PolarHBondContact NE-OD1 3.29Å; R594-D610 IonicContact NH2-OD1 2.63Å; R594-D610 PolarHBondContact NH2-OD1 3.15Å; D610-H612 PolarHBondContact O-N 3.22Å; D610-I613 PolarHBondContact O-N 3.39Å
611E88.7Confident92.1Very high163 Ų16362.9 Ų62.976%0.76233%0.326SS*.THydrogen-bonded Turntrans60.928.1-178.8-52.7178.3170.900113.4I613E611-I613 HydrophobicContact CB-CD1 4.49Å; E611-I613 HydrophobicContact CB-CG1 4.46Å; E611-I613 PolarHBondContact O-N 3.41Å
612H87.2Confident92.2Very high151 Ų15156.3 Ų56.370%0.69929%0.293SS*.THydrogen-bonded Turntrans59.526.4180-54.3-70.6000113.9D610 N614D610-H612 PolarHBondContact O-N 3.22Å; H612-N614 PolarHBondContact O-N 2.97Å
613I90.6Very high92.3Very high60 Ų6054.3 Ų54.331%0.30829%0.287SS..EExtended strand (participates in β ladder)trans-80.1108.4176.9-62.2173.1000109F609 D610 E611 V615F609-I613 HydrophobicContact CB-CB 4.13Å; F609-I613 HydrophobicContact CB-CG2 4.47Å; F609-I613 HydrophobicContact CD2-CG2 4.44Å; F609-I613 PolarHBondContact N-O 3.28Å; D610-I613 PolarHBondContact O-N 3.39Å; E611-I613 HydrophobicContact CB-CD1 4.49Å; E611-I613 HydrophobicContact CB-CG1 4.46Å; E611-I613 PolarHBondContact O-N 3.41Å; I613-V615 HydrophobicContact CG2-CG2 4.39Å
614N93.1Very high92.5Very high113 Ų11346.1 Ų46.160%0.60426%0.258SS*.EExtended strand (participates in β ladder)trans-106128.6177.7-69.1-52.1000111.5E608 H612E608-N614 WeakPolarHBondContact CG-OD1 3.46Å; H612-N614 PolarHBondContact O-N 2.97Å
615V95.3Very high92.4Very high15 Ų1545.7 Ų45.79%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-120.8130.1178.4-175.80000108.7F558 W588 A606 I607 F609 I613 F617F558-V615 HydrophobicContact CD1-CG1 4.06Å; F558-V615 HydrophobicContact CE1-CG1 3.84Å; W588-V615 HydrophobicContact CD2-CG2 4.29Å; W588-V615 HydrophobicContact CH2-CG1 4Å; W588-V615 HydrophobicContact CH2-CG2 4.49Å; W588-V615 HydrophobicContact CZ2-CB 4.48Å; W588-V615 HydrophobicContact CZ2-CG1 3.92Å; W588-V615 HydrophobicContact CZ2-CG2 3.65Å; A606-V615 CarbonylContact C-O 3.57Å; A606-V615 WeakPolarHBondContact CA-O 3.49Å; I607-V615 PolarHBondContact N-O 2.74Å; I607-V615 PolarHBondContact O-N 3.22Å; F609-V615 HydrophobicContact CD2-CG2 4.09Å; F609-V615 HydrophobicContact CE2-CB 4.31Å; F609-V615 HydrophobicContact CE2-CG2 3.86Å; I613-V615 HydrophobicContact CG2-CG2 4.39Å; V615-F617 HydrophobicContact CG1-CD1 4.26Å
616A96.3Very high92.2Very high18 Ų1846.1 Ų46.115%0.14926%0.256CS..EExtended strand (participates in β ladder)trans-134.8141.8174.600000111K559 Q604 V605 A606K559-A616 HydrophobicContact CB-CB 4.05Å; K559-A616 WeakPolarHBondContact CB-O 3.25Å; K559-A616 HydrophobicContact CD-CB 4.08Å; K559-A616 PolarHBondContact N-O 2.93Å; Q604-A616 HydrophobicContact CG-CB 4.4Å; V605-A616 CarbonylContact O-C 3.56Å; V605-A616 VanDerWaalsContact O-CA 3.23Å; V605-A616 WeakPolarHBondContact O-CA 3.16Å; A606-A616 HydrophobicContact CB-CB 4.28Å
617F96.6Very high92.2Very high1 Ų144.2 Ų44.20%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-154.5153.3179.657.7-91000111.7V556 R557 F558 L567 Q604 V605 I607 V615 V627V556-F617 HydrophobicContact CB-CB 4.27Å; V556-F617 HydrophobicContact CB-CD2 3.88Å; V556-F617 HydrophobicContact CB-CG 4.34Å; V556-F617 HydrophobicContact CG1-CD2 3.65Å; V556-F617 HydrophobicContact CG1-CE2 4.03Å; V556-F617 HydrophobicContact CG2-CB 4.42Å; V556-F617 HydrophobicContact CG2-CD2 4.43Å; R557-F617 CarbonylContact O-C 3.58Å; R557-F617 VanDerWaalsContact O-CA 3.25Å; R557-F617 WeakPolarHBondContact O-CA 3.47Å; R557-F617 WeakPolarHBondContact O-CB 3.1Å; F558-F617 HydrophobicContact CD1-CB 3.9Å; F558-F617 HydrophobicContact CD1-CD1 4.34Å; F558-F617 HydrophobicContact CE1-CB 4.21Å; F558-F617 AromaticContact CE1-CD1 3.99Å; F558-F617 HydrophobicContact CE1-CD1 3.99Å; F558-F617 HydrophobicContact CE1-CG 4.36Å; F558-F617 HydrophobicContact CG-CB 4.3Å; L567-F617 HydrophobicContact CD2-CD2 4.43Å; L567-F617 HydrophobicContact CD2-CE1 4.06Å; L567-F617 HydrophobicContact CD2-CE2 3.63Å; L567-F617 HydrophobicContact CD2-CZ 3.41Å; L567-F617 VanDerWaalsContact CD2-CZ 3.41Å; Q604-F617 WeakPolarHBondContact CA-O 3.3Å; V605-F617 HydrophobicContact CB-CD2 4.39Å; V605-F617 HydrophobicContact CB-CE1 4.24Å; V605-F617 HydrophobicContact CB-CE2 3.81Å; V605-F617 HydrophobicContact CB-CZ 3.72Å; V605-F617 HydrophobicContact CG1-CE1 4.32Å; V605-F617 HydrophobicContact CG1-CE2 4.43Å; V605-F617 HydrophobicContact CG1-CZ 3.88Å; V605-F617 HydrophobicContact CG2-CE2 4.02Å; V605-F617 HydrophobicContact CG2-CZ 4.29Å; V605-F617 PolarHBondContact N-O 3.02Å; V605-F617 PolarHBondContact O-N 2.92Å; I607-F617 HydrophobicContact CD1-CE1 4.02Å; I607-F617 HydrophobicContact CD1-CZ 4.4Å; V615-F617 HydrophobicContact CG1-CD1 4.26Å; F617-V627 HydrophobicContact CE2-CG1 3.96Å; F617-V627 HydrophobicContact CZ-CG1 3.85Å
618S95.4Very high92.1Very high39 Ų3944.8 Ų44.827%0.27324%0.243SC..EExtended strand (participates in β ladder)trans-103.3141.6169.556.70000110.2V556 R557V556-S618 CarbonylContact C-O 3.57Å; V556-S618 VanDerWaalsContact CA-O 3.31Å; V556-S618 WeakPolarHBondContact CA-O 3.28Å; R557-S618 PolarHBondContact N-O 3.17Å; R557-S618 PolarHBondContact O-N 2.72Å
619C92.4Very high92.1Very high20 Ų2042.6 Ų42.614%0.13523%0.233CC..EExtended strand (participates in β ladder)trans-81.4134.8177.6-59.80000110.7A622 V627C619-A622 WeakPolarHBondContact CB-O 3.47Å; C619-V627 VanDerWaalsContact SG-CG2 3.57Å
620V91.2Very high92.2Very high69 Ų6942.3 Ų42.342%0.41823%0.231SC..SBendtrans-104.8-50.1-177.6-1790000110.8M555 R557M555-V620 HydrophobicContact CB-CB 4.44Å; M555-V620 HydrophobicContact CG-CB 4.2Å; M555-V620 PolarHBondContact O-N 3.11Å; M555-V620 HydrophobicContact SD-CG1 4.32Å; R557-V620 HydrophobicContact CB-CG2 4.17Å
621S84.2Confident92.6Very high38 Ų3839.7 Ų39.727%0.26622%0.217SC..SBendtrans-86.8-13.8-177.2640000114.3S227 M555S227-S621 WeakPolarHBondContact CB-O 3.44Å; M555-S621 WeakPolarHBondContact CB-OG 3.48Å; M555-S621 PolarHBondContact N-OG 3.15Å; M555-S621 PolarHBondContact O-N 3.36Å
622A87.3Confident92.9Very high15 Ų1531.9 Ų31.912%0.12418%0.181CC..SBendtrans-142.8163.9-172.100000111.8V554 C619 I626V554-A622 HydrophobicContact CG1-CB 4.01Å; C619-A622 WeakPolarHBondContact CB-O 3.47Å; A622-I626 HydrophobicContact CB-CD1 4.15Å
623S89.8Confident93.3Very high58 Ų5824.7 Ų24.741%0.40615%0.148SC..  trans-65.9141.2168.4-179.30000110.6R625 I626S623-R625 PolarHBondContact O-N 3.19Å; S623-R625 VanDerWaalsContact O-N 3.14Å; S623-R625 WeakPolarHBondContact OG-CB 3.11Å; S623-R625 PolarHBondContact OG-N 3.4Å; S623-I626 WeakPolarHBondContact O-CB 3.45Å; S623-I626 PolarHBondContact O-N 2.96Å
624C91.7Very high93.6Very high7 Ų722 Ų225%0.04713%0.134CC..Hα-helixtrans-60.1-21.4171.755.30000112.8V598 V605 I626 V627 H628V598-C624 HydrophobicContact CG1-CB 4.18Å; V605-C624 HydrophobicContact CG2-CB 3.93Å; C624-I626 VanDerWaalsContact C-N 3.28Å; C624-I626 PolarHBondContact O-N 3.25Å; C624-V627 PolarHBondContact O-N 3.43Å; C624-H628 WeakPolarHBondContact O-CB 3.5Å; C624-H628 PolarHBondContact O-N 2.92Å
625R91.6Very high93.7Very high40 Ų4018.5 Ų18.515%0.15111%0.114CC..Hα-helixtrans-57.5-39.7171-70.7-177.5170.6-107.6-9.5112.2D231 R234 W600 S623 V627 H628 E629 E661D231-R625 WeakPolarHBondContact OD2-CD 3.27Å; D231-R625 IonicContact OD2-CZ 2.77Å; D231-R625 IonicContact OD2-NH1 3.45Å; D231-R625 PolarHBondContact OD2-NH1 2.92Å; R234-R625 VanDerWaalsContact CZ-CZ 3.48Å; R234-R625 VanDerWaalsContact NE-NH1 3.1Å; R234-R625 VanDerWaalsContact NH2-CZ 3.33Å; W600-R625 HydrophobicContact CE3-CG 4.03Å; W600-R625 HydrophobicContact CH2-CB 4.39Å; W600-R625 HydrophobicContact CH2-CG 3.58Å; W600-R625 HydrophobicContact CZ3-CB 4.12Å; W600-R625 HydrophobicContact CZ3-CG 3.17Å; S623-R625 PolarHBondContact O-N 3.19Å; S623-R625 VanDerWaalsContact O-N 3.14Å; S623-R625 WeakPolarHBondContact OG-CB 3.11Å; S623-R625 PolarHBondContact OG-N 3.4Å; R625-V627 PolarHBondContact O-N 3.22Å; R625-H628 WeakPolarHBondContact O-CB 3.16Å; R625-H628 PolarHBondContact O-N 3.27Å; R625-E629 VanDerWaalsContact O-CB 3.28Å; R625-E629 WeakPolarHBondContact O-CB 3.28Å; R625-E629 PolarHBondContact O-N 3.44Å; R625-E661 IonicContact NH2-OE1 2.71Å; R625-E661 PolarHBondContact NH2-OE1 3.13Å; R625-E661 IonicContact NH2-OE2 2.7Å; R625-E661 PolarHBondContact NH2-OE2 3.37Å
626I92.7Very high93.6Very high9 Ų918 Ų185%0.04611%0.111CC..Hα-helixtrans-65.6-43.5-179.2-67170.5000110.3S227 W229 A622 S623 C624 E629 Y630S227-I626 WeakPolarHBondContact O-CD1 3.31Å; W229-I626 HydrophobicContact CB-CD1 4.37Å; W229-I626 HydrophobicContact CB-CG1 4.36Å; A622-I626 HydrophobicContact CB-CD1 4.15Å; S623-I626 WeakPolarHBondContact O-CB 3.45Å; S623-I626 PolarHBondContact O-N 2.96Å; C624-I626 VanDerWaalsContact C-N 3.28Å; C624-I626 PolarHBondContact O-N 3.25Å; I626-E629 PolarHBondContact O-N 2.95Å; I626-Y630 HydrophobicContact CG2-CD2 3.75Å; I626-Y630 HydrophobicContact CG2-CE2 3.81Å; I626-Y630 VanDerWaalsContact O-CD2 3.28Å; I626-Y630 WeakPolarHBondContact O-CD2 3.35Å; I626-Y630 PolarHBondContact O-N 3.05Å
627V95.1Very high93.4Very high0 Ų017.9 Ų17.90%011%0.108CC..Hα-helixtrans-67.2-43.5177.7178.80000111.3V554 L567 I569 F617 C619 C624 R625 E629 Y630 I631V554-V627 HydrophobicContact CB-CG2 4.3Å; V554-V627 HydrophobicContact CG1-CG2 3.91Å; V554-V627 HydrophobicContact CG2-CG2 4.11Å; L567-V627 HydrophobicContact CD2-CG1 4.01Å; I569-V627 HydrophobicContact CD1-CB 4.38Å; I569-V627 HydrophobicContact CD1-CG1 3.96Å; I569-V627 HydrophobicContact CD1-CG2 4.18Å; F617-V627 HydrophobicContact CE2-CG1 3.96Å; F617-V627 HydrophobicContact CZ-CG1 3.85Å; C619-V627 VanDerWaalsContact SG-CG2 3.57Å; C624-V627 PolarHBondContact O-N 3.43Å; R625-V627 PolarHBondContact O-N 3.22Å; V627-E629 VanDerWaalsContact C-N 3.33Å; V627-E629 PolarHBondContact O-N 3.32Å; V627-Y630 PolarHBondContact O-N 3.05Å; V627-I631 HydrophobicContact CG1-CD1 4.05Å; V627-I631 WeakPolarHBondContact O-CG1 3.38Å; V627-I631 PolarHBondContact O-N 3.49Å
628H95.4Very high93Very high16 Ų1622 Ų227%0.07414%0.136CC..Hα-helixtrans-55.2-49.6174.417375.2000111.5W596 V598 W600 C624 R625 I631 G632 T657W596-H628 AromaticContact CD1-ND1 3.63Å; W596-H628 AromaticContact CE2-ND1 3.91Å; W596-H628 AromaticContact NE1-CE1 3.42Å; W596-H628 PolarHBondContact NE1-CE1 3.08Å; W596-H628 AromaticContact NE1-CG 3.88Å; W596-H628 AromaticContact NE1-ND1 2.89Å; W596-H628 PolarHBondContact NE1-ND1 2.91Å; V598-H628 HydrophobicContact CG2-CB 3.81Å; V598-H628 WeakPolarHBondContact CG2-ND1 3.37Å; W600-H628 HydrophobicContact CH2-CB 4.36Å; C624-H628 WeakPolarHBondContact O-CB 3.5Å; C624-H628 PolarHBondContact O-N 2.92Å; R625-H628 WeakPolarHBondContact O-CB 3.16Å; R625-H628 PolarHBondContact O-N 3.27Å; H628-I631 PolarHBondContact O-N 2.94Å; H628-G632 PolarHBondContact O-N 3.16Å; H628-T657 PolarHBondContact CD2-O 3.46Å; H628-T657 PolarHBondContact NE2-O 3.41Å
629E96.1Very high92.6Very high1 Ų124 Ų241%0.00515%0.147CC..Hα-helixtrans-64.6-40.5178.9-176.8-178.8164.100112S232 K252 Y253 R625 I626 V627 I631 G632 G633 T657S232-E629 WeakPolarHBondContact CB-OE1 3.09Å; S232-E629 PolarHBondContact OG-OE1 3.21Å; K252-E629 IonicContact NZ-OE1 3.89Å; K252-E629 PolarHBondContact NZ-OE1 3.48Å; K252-E629 IonicContact NZ-OE2 3.55Å; K252-E629 PolarHBondContact NZ-OE2 2.91Å; K252-E629 VanDerWaalsContact NZ-OE2 3.13Å; Y253-E629 PolarHBondContact OH-O 3.43Å; R625-E629 VanDerWaalsContact O-CB 3.28Å; R625-E629 WeakPolarHBondContact O-CB 3.28Å; R625-E629 PolarHBondContact O-N 3.44Å; I626-E629 PolarHBondContact O-N 2.95Å; V627-E629 VanDerWaalsContact C-N 3.33Å; V627-E629 PolarHBondContact O-N 3.32Å; E629-I631 VanDerWaalsContact C-N 3.33Å; E629-I631 PolarHBondContact O-N 3.47Å; E629-G632 PolarHBondContact O-N 3.46Å; E629-G633 WeakPolarHBondContact O-CA 3.18Å; E629-G633 PolarHBondContact O-N 3.41Å; E629-T657 HydrophobicContact CG-CG2 3.92Å
630Y97Very high92Very high0 Ų024.8 Ų24.80%015%0.148CC..Hα-helixtrans-60.6-42.2175.6-96.3-69000112.6H226 W229 K252 Y253 S552 I569 I626 V627 Y634H226-Y630 PolarHBondContact ND1-OH 3.14Å; W229-Y630 AromaticContact CD1-CE2 3.75Å; W229-Y630 AromaticContact NE1-CE2 3.89Å; W229-Y630 AromaticContact NE1-CZ 3.69Å; W229-Y630 PolarHBondContact NE1-OH 2.97Å; K252-Y630 HydrophobicContact CG-CE1 3.99Å; Y253-Y630 HydrophobicContact CD1-CD1 4.25Å; Y253-Y630 HydrophobicContact CE1-CD1 4.02Å; S552-Y630 WeakPolarHBondContact OG-CE1 3.4Å; S552-Y630 PolarHBondContact OG-OH 3.18Å; I569-Y630 HydrophobicContact CD1-CD2 4.39Å; I569-Y630 HydrophobicContact CD1-CG 4.36Å; I626-Y630 HydrophobicContact CG2-CD2 3.75Å; I626-Y630 HydrophobicContact CG2-CE2 3.81Å; I626-Y630 VanDerWaalsContact O-CD2 3.28Å; I626-Y630 WeakPolarHBondContact O-CD2 3.35Å; I626-Y630 PolarHBondContact O-N 3.05Å; V627-Y630 PolarHBondContact O-N 3.05Å; Y630-Y634 HydrophobicContact CD1-CD2 4.3Å; Y630-Y634 AromaticContact CD1-CE2 3.8Å; Y630-Y634 HydrophobicContact CD1-CE2 3.8Å; Y630-Y634 HydrophobicContact CE1-CE2 4.36Å; Y630-Y634 WeakPolarHBondContact O-CB 3.32Å; Y630-Y634 WeakPolarHBondContact O-CD2 3.46Å; Y630-Y634 PolarHBondContact O-N 2.83Å; Y630-Y634 VanDerWaalsContact O-N 3.1Å
631I96.4Very high90.8Very high0 Ų027.3 Ų27.30%016%0.155CC..Hα-helixtrans-64.1-53.6177-66.5166.7000109.6F590 M593 W596 I607 V627 H628 E629 G633 Y634 I635F590-I631 HydrophobicContact CZ-CG1 4.41Å; M593-I631 HydrophobicContact CE-CG2 4.08Å; M593-I631 HydrophobicContact SD-CG2 3.9Å; W596-I631 HydrophobicContact CD2-CG2 3.79Å; W596-I631 HydrophobicContact CE3-CG2 4Å; W596-I631 HydrophobicContact CG-CG2 4.22Å; W596-I631 HydrophobicContact CH2-CG2 4.45Å; W596-I631 HydrophobicContact CZ2-CG2 4.23Å; W596-I631 HydrophobicContact CZ3-CG2 4.33Å; I607-I631 HydrophobicContact CD1-CD1 3.77Å; V627-I631 HydrophobicContact CG1-CD1 4.05Å; V627-I631 WeakPolarHBondContact O-CG1 3.38Å; V627-I631 PolarHBondContact O-N 3.49Å; H628-I631 PolarHBondContact O-N 2.94Å; E629-I631 VanDerWaalsContact C-N 3.33Å; E629-I631 PolarHBondContact O-N 3.47Å; I631-G633 PolarHBondContact O-N 3.12Å; I631-Y634 PolarHBondContact O-N 3.34Å; I631-I635 HydrophobicContact CG2-CD1 3.83Å; I631-I635 VanDerWaalsContact O-CG1 3.31Å; I631-I635 WeakPolarHBondContact O-CG1 3.34Å; I631-I635 PolarHBondContact O-N 3.28Å
632G95.6Very high89.6Confident0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-60.6-43.5-179.500000113.4H628 E629 I635 F636 L656H628-G632 PolarHBondContact O-N 3.16Å; E629-G632 PolarHBondContact O-N 3.46Å; G632-I635 PolarHBondContact O-N 3.18Å; G632-F636 WeakPolarHBondContact O-CB 3.49Å; G632-F636 PolarHBondContact O-N 2.83Å; G632-L656 WeakPolarHBondContact CA-O 3.1Å
633G96.1Very high87.9Confident0 Ų038.5 Ų38.50%020%0.2CC..Hα-helixtrans-67.3-39.918000000113.3E629 I631 F636 L637E629-G633 WeakPolarHBondContact O-CA 3.18Å; E629-G633 PolarHBondContact O-N 3.41Å; I631-G633 PolarHBondContact O-N 3.12Å; G633-F636 WeakPolarHBondContact O-CB 3.48Å; G633-F636 PolarHBondContact O-N 2.78Å; G633-L637 WeakPolarHBondContact O-CB 3.44Å; G633-L637 WeakPolarHBondContact O-CD1 3.26Å; G633-L637 VanDerWaalsContact O-CG 3.31Å; G633-L637 WeakPolarHBondContact O-CG 3.4Å; G633-L637 PolarHBondContact O-N 3.43Å
634Y96.6Very high86.1Confident3 Ų344.6 Ų44.61%0.01221%0.214CC..Hα-helixtrans-69.5-34.6173.3-81.5-51.2000112.8Y253 Y254 I569 N571 F590 Y630 I631 L637 S638Y253-Y634 AromaticContact CD1-CD1 3.84Å; Y253-Y634 HydrophobicContact CD1-CD1 3.84Å; Y253-Y634 HydrophobicContact CD1-CD2 4.27Å; Y253-Y634 AromaticContact CD1-CE1 3.86Å; Y253-Y634 HydrophobicContact CD1-CE1 3.86Å; Y253-Y634 HydrophobicContact CD1-CE2 4.28Å; Y253-Y634 HydrophobicContact CD1-CG 4.05Å; Y253-Y634 HydrophobicContact CG-CD1 4.5Å; Y253-Y634 HydrophobicContact CG-CE1 4.33Å; Y254-Y634 PolarHBondContact N-OH 2.8Å; I569-Y634 HydrophobicContact CG2-CD2 4.16Å; I569-Y634 HydrophobicContact CG2-CE2 4.11Å; N571-Y634 VanDerWaalsContact CA-CD1 3.49Å; N571-Y634 HydrophobicContact CB-CD1 3.7Å; N571-Y634 HydrophobicContact CB-CE1 3.62Å; N571-Y634 HydrophobicContact CB-CG 4.41Å; F590-Y634 HydrophobicContact CE2-CD2 4.42Å; F590-Y634 HydrophobicContact CE2-CG 4.42Å; Y630-Y634 HydrophobicContact CD1-CD2 4.3Å; Y630-Y634 AromaticContact CD1-CE2 3.8Å; Y630-Y634 HydrophobicContact CD1-CE2 3.8Å; Y630-Y634 HydrophobicContact CE1-CE2 4.36Å; Y630-Y634 WeakPolarHBondContact O-CB 3.32Å; Y630-Y634 WeakPolarHBondContact O-CD2 3.46Å; Y630-Y634 PolarHBondContact O-N 2.83Å; Y630-Y634 VanDerWaalsContact O-N 3.1Å; I631-Y634 PolarHBondContact O-N 3.34Å; Y634-L637 HydrophobicContact CD1-CD1 4.31Å; Y634-L637 PolarHBondContact O-N 3.46Å; Y634-S638 WeakPolarHBondContact O-CB 3.26Å; Y634-S638 PolarHBondContact O-N 3.03Å
635I94Very high84.3Confident39 Ų3948 Ų4820%0.225%0.25CC..Hα-helixtrans-62-49.6171.3-70.4168.7000109.7M593 W596 I631 G632 L637 S638 T639 L656M593-I635 HydrophobicContact SD-CD1 4.44Å; W596-I635 HydrophobicContact CE3-CD1 4.18Å; W596-I635 HydrophobicContact CH2-CD1 3.82Å; W596-I635 HydrophobicContact CZ3-CD1 3.46Å; W596-I635 VanDerWaalsContact CZ3-CD1 3.46Å; I631-I635 HydrophobicContact CG2-CD1 3.83Å; I631-I635 VanDerWaalsContact O-CG1 3.31Å; I631-I635 WeakPolarHBondContact O-CG1 3.34Å; I631-I635 PolarHBondContact O-N 3.28Å; G632-I635 PolarHBondContact O-N 3.18Å; I635-L637 VanDerWaalsContact C-N 3.34Å; I635-L637 PolarHBondContact O-N 3.27Å; I635-S638 WeakPolarHBondContact O-CB 3.19Å; I635-S638 PolarHBondContact O-N 3.28Å; I635-S638 PolarHBondContact O-OG 2.92Å; I635-T639 PolarHBondContact O-N 2.68Å; I635-T639 VanDerWaalsContact O-N 3.14Å; I635-L656 HydrophobicContact CG2-CD1 4.32Å
636F93.6Very high82.7Confident5 Ų550.8 Ų50.82%0.02226%0.264CS..Hα-helixtrans-55-46.6175.8177.2-95.9000112.6E137 G632 G633 S638 T639 D649 L652 F653 L656E137-F636 HydrophobicContact CB-CE1 4.23Å; E137-F636 HydrophobicContact CG-CE1 4.35Å; G632-F636 WeakPolarHBondContact O-CB 3.49Å; G632-F636 PolarHBondContact O-N 2.83Å; G633-F636 WeakPolarHBondContact O-CB 3.48Å; G633-F636 PolarHBondContact O-N 2.78Å; F636-S638 PolarHBondContact O-N 3.05Å; F636-T639 PolarHBondContact O-N 3.03Å; F636-T639 PolarHBondContact O-OG1 2.95Å; F636-D649 HydrophobicContact CE2-CB 4.43Å; F636-D649 VanDerWaalsContact CE2-O 3.22Å; F636-D649 WeakPolarHBondContact CE2-O 3.38Å; F636-L652 HydrophobicContact CD2-CB 4.47Å; F636-L652 HydrophobicContact CD2-CD2 4.17Å; F636-L652 HydrophobicContact CD2-CG 4.09Å; F636-L652 HydrophobicContact CE2-CB 4.31Å; F636-L652 HydrophobicContact CE2-CD2 4.31Å; F636-L652 HydrophobicContact CE2-CG 4.35Å; F636-F653 HydrophobicContact CB-CD2 4.27Å; F636-F653 AromaticContact CD1-CD2 3.7Å; F636-F653 HydrophobicContact CD1-CD2 3.7Å; F636-F653 HydrophobicContact CD2-CB 3.91Å; F636-F653 HydrophobicContact CD2-CD2 4.34Å; F636-F653 HydrophobicContact CE1-CB 4.39Å; F636-F653 HydrophobicContact CE1-CD2 4.08Å; F636-F653 HydrophobicContact CE2-CB 3.78Å; F636-F653 HydrophobicContact CG-CB 4.27Å; F636-F653 AromaticContact CG-CD2 3.83Å; F636-F653 HydrophobicContact CG-CD2 3.83Å; F636-F653 HydrophobicContact CZ-CB 4.03Å; F636-L656 HydrophobicContact CB-CD1 3.86Å; F636-L656 HydrophobicContact CD2-CD1 4.35Å
637L91.9Very high81.8Confident15 Ų1559.3 Ų59.38%0.07930%0.304CS..Hα-helixtrans-64.1-30.6177.7-75.5159.8000112.6E137 E138 Y253 G633 Y634 I635E137-L637 HydrophobicContact CG-CD2 3.77Å; E138-L637 HydrophobicContact CG-CD2 4.28Å; Y253-L637 HydrophobicContact CD1-CD1 3.87Å; Y253-L637 HydrophobicContact CD2-CD1 3.84Å; Y253-L637 HydrophobicContact CG-CD1 3.37Å; G633-L637 WeakPolarHBondContact O-CB 3.44Å; G633-L637 WeakPolarHBondContact O-CD1 3.26Å; G633-L637 VanDerWaalsContact O-CG 3.31Å; G633-L637 WeakPolarHBondContact O-CG 3.4Å; G633-L637 PolarHBondContact O-N 3.43Å; Y634-L637 HydrophobicContact CD1-CD1 4.31Å; Y634-L637 PolarHBondContact O-N 3.46Å; I635-L637 VanDerWaalsContact C-N 3.34Å; I635-L637 PolarHBondContact O-N 3.27Å
638S89.5Confident81.2Confident87 Ų8761.5 Ų61.561%0.60832%0.316SS*.Hα-helixtrans-76.6-22178.1770000113.9Y634 I635 F636 R640Y634-S638 WeakPolarHBondContact O-CB 3.26Å; Y634-S638 PolarHBondContact O-N 3.03Å; I635-S638 WeakPolarHBondContact O-CB 3.19Å; I635-S638 PolarHBondContact O-N 3.28Å; I635-S638 PolarHBondContact O-OG 2.92Å; F636-S638 PolarHBondContact O-N 3.05Å; S638-R640 VanDerWaalsContact C-N 3.34Å
639T85.4Confident80.8Confident82 Ų8264.8 Ų64.850%0.50333%0.334SS..Hα-helixtrans-85.1-7.9177.356.20000113I635 F636 E641I635-T639 PolarHBondContact O-N 2.68Å; I635-T639 VanDerWaalsContact O-N 3.14Å; F636-T639 PolarHBondContact O-N 3.03Å; F636-T639 PolarHBondContact O-OG1 2.95Å; T639-E641 PolarHBondContact O-N 3.29Å
640R80.7Confident80.4Confident37 Ų3767.7 Ų67.714%0.1435%0.347CS..  trans-67.3127.3178.1-61.4-159.370.7-135.6-10.5110.9H135 E137 S638H135-R640 PolarHBondContact CE1-NH1 3.3Å; H135-R640 PolarHBondContact ND1-NH1 3.21Å; E137-R640 IonicContact OE1-CZ 3.59Å; E137-R640 IonicContact OE1-NE 3.64Å; E137-R640 IonicContact OE1-NH1 3.65Å; E137-R640 PolarHBondContact OE1-NH1 3.28Å; S638-R640 VanDerWaalsContact C-N 3.34Å
641E66.8Low80Confident121 Ų12173 Ų7357%0.56538%0.376SS*.  trans-70.8146.5173.2-67.5-160.4170.300110.9F257 T639 A643F257-E641 VanDerWaalsContact CE2-O 3.27Å; F257-E641 WeakPolarHBondContact CE2-O 3.44Å; F257-E641 WeakPolarHBondContact CZ-O 3.48Å; T639-E641 PolarHBondContact O-N 3.29Å; E641-A643 PolarHBondContact O-N 3.07Å
642R58Low79.7Confident235 Ų23575.6 Ų75.689%0.88739%0.389SS*.SBendtrans-69.7-6.4178-72.4-175.3-178.8177.50.6114.1F257F257-R642 HydrophobicContact CE2-CB 4.4Å; F257-R642 HydrophobicContact CE2-CG 4.12Å; F257-R642 VanDerWaalsContact CZ-CA 3.45Å
643A51.9Low79.5Confident54 Ų5475.7 Ų75.745%0.44639%0.39SS..SBendtrans-73.7138.2-177.800000111.3E641 G645E641-A643 PolarHBondContact O-N 3.07Å; A643-G645 PolarHBondContact O-N 2.88Å
644R51.9Low79.2Confident186 Ų18677.2 Ų77.270%0.70240%0.398SS*.THydrogen-bonded Turntrans-67.4125.4175.2-80.2-179.8170.5-175.5-5.6109.6D260D260-R644 IonicContact OD2-NH2 3.96Å; D260-R644 PolarHBondContact OD2-NH2 3.47Å
645G54Low78.8Confident78 Ų7883.4 Ų83.480%0.80443%0.427SS*.THydrogen-bonded Turntrans116.19.115900000117.6A643A643-G645 PolarHBondContact O-N 2.88Å
646E57.2Low78.7Confident98 Ų9883 Ų8346%0.45842%0.424SS..PPolyproline II helixtrans-74.8128.6170.7-67.5-175.7160.500111
647E73.7Confident78.5Confident189 Ų18982.9 Ų82.988%0.88342%0.424SS*.PPolyproline II helixtrans-59.2144.5165.2-67.9-175.4157.200109.3D649E647-D649 PolarHBondContact O-N 2.94Å
648L82.5Confident77.9Confident46 Ų4682.6 Ų82.624%0.24143%0.425CS..PPolyproline II helixtrans-68.2122.6178.7-69.1165.5000109.4P136 E137 E650P136-L648 HydrophobicContact CG-CD1 3.73Å; E137-L648 HydrophobicContact CB-CD2 4.4Å; E137-L648 HydrophobicContact CG-CD2 4.01Å; E137-L648 WeakPolarHBondContact OE2-CD1 3.12Å; E137-L648 VanDerWaalsContact OE2-CD2 3.28Å; E137-L648 WeakPolarHBondContact OE2-CD2 3.17Å; L648-E650 VanDerWaalsContact C-N 3.31Å; L648-E650 PolarHBondContact O-N 2.87Å
649D88.4Confident76.7Confident85 Ų8579.5 Ų79.546%0.45541%0.407SS..  trans-73.786.2172.4-170.6-18000109.9F636 E647 D651 L652 F653F636-D649 HydrophobicContact CE2-CB 4.43Å; F636-D649 VanDerWaalsContact CE2-O 3.22Å; F636-D649 WeakPolarHBondContact CE2-O 3.38Å; E647-D649 PolarHBondContact O-N 2.94Å; D649-D651 VanDerWaalsContact C-N 3.29Å; D649-D651 PolarHBondContact O-N 2.82Å; D649-D651 PolarHBondContact OD1-N 2.65Å; D649-L652 HydrophobicContact CB-CB 4.02Å; D649-L652 PolarHBondContact O-N 3.06Å; D649-L652 WeakPolarHBondContact OD1-CB 3.32Å; D649-L652 PolarHBondContact OD1-N 2.98Å; D649-L652 WeakPolarHBondContact OD2-CB 3.44Å; D649-F653 PolarHBondContact O-N 3.01Å; D649-F653 VanDerWaalsContact O-N 3.14Å
650E87.3Confident75.2Confident62 Ų6284.7 Ų84.729%0.2943%0.425SS..Hα-helixtrans-64.3-35.6-178-47.5-163.9163.200111.8F121 Q122 L648 F653 L654F121-E650 HydrophobicContact CD1-CB 4.43Å; F121-E650 HydrophobicContact CE1-CB 4.06Å; F121-E650 HydrophobicContact CE1-CG 3.93Å; Q122-E650 VanDerWaalsContact CG-OE2 3.32Å; Q122-E650 WeakPolarHBondContact CG-OE2 3.49Å; Q122-E650 PolarHBondContact NE2-OE2 2.52Å; L648-E650 VanDerWaalsContact C-N 3.31Å; L648-E650 PolarHBondContact O-N 2.87Å; E650-F653 PolarHBondContact O-N 3.3Å; E650-L654 WeakPolarHBondContact O-CB 3.46Å; E650-L654 VanDerWaalsContact O-CG 3.32Å; E650-L654 WeakPolarHBondContact O-CG 3.44Å; E650-L654 PolarHBondContact O-N 3.47Å
651D88Confident73.6Confident111 Ų11188.3 Ų88.359%0.59444%0.444SS*.Hα-helixtrans-66.9-43.6-178.9-73.2-27.2000110.6D649 F653 L654 Q655D649-D651 VanDerWaalsContact C-N 3.29Å; D649-D651 PolarHBondContact O-N 2.82Å; D649-D651 PolarHBondContact OD1-N 2.65Å; D651-F653 PolarHBondContact O-N 2.96Å; D651-L654 PolarHBondContact O-N 3.21Å; D651-Q655 VanDerWaalsContact O-CB 3.32Å; D651-Q655 WeakPolarHBondContact O-CB 3.19Å; D651-Q655 PolarHBondContact O-N 3.1Å
652L90.6Very high71.9Confident54 Ų5486.4 Ų86.428%0.28345%0.449SS..Hα-helixtrans-62.6-42.1173.7-179.762.9000111.7F636 D649 Q655 L656F636-L652 HydrophobicContact CD2-CB 4.47Å; F636-L652 HydrophobicContact CD2-CD2 4.17Å; F636-L652 HydrophobicContact CD2-CG 4.09Å; F636-L652 HydrophobicContact CE2-CB 4.31Å; F636-L652 HydrophobicContact CE2-CD2 4.31Å; F636-L652 HydrophobicContact CE2-CG 4.35Å; D649-L652 HydrophobicContact CB-CB 4.02Å; D649-L652 PolarHBondContact O-N 3.06Å; D649-L652 WeakPolarHBondContact OD1-CB 3.32Å; D649-L652 PolarHBondContact OD1-N 2.98Å; D649-L652 WeakPolarHBondContact OD2-CB 3.44Å; L652-Q655 PolarHBondContact O-N 3.17Å; L652-L656 HydrophobicContact CD1-CD1 4.05Å; L652-L656 HydrophobicContact CD1-CG 4.25Å; L652-L656 HydrophobicContact CG-CD1 4.02Å; L652-L656 VanDerWaalsContact O-CG 3.31Å; L652-L656 WeakPolarHBondContact O-CG 3.47Å; L652-L656 PolarHBondContact O-N 3.17Å
653F91.6Very high70.8Confident3 Ų387.1 Ų87.11%0.01346%0.458CS..Hα-helixtrans-60-47.8176.3179.3-91.5000111.3F121 F636 D649 E650 D651 Q655 L656 T657F121-F653 HydrophobicContact CB-CD1 4.21Å; F121-F653 HydrophobicContact CB-CE1 3.95Å; F121-F653 HydrophobicContact CD1-CD1 4.06Å; F121-F653 AromaticContact CD2-CD1 3.62Å; F121-F653 HydrophobicContact CD2-CD1 3.62Å; F121-F653 AromaticContact CD2-CE1 3.38Å; F121-F653 HydrophobicContact CD2-CE1 3.38Å; F121-F653 HydrophobicContact CD2-CE2 4.31Å; F121-F653 HydrophobicContact CD2-CG 4.19Å; F121-F653 AromaticContact CD2-CZ 3.76Å; F121-F653 HydrophobicContact CD2-CZ 3.76Å; F121-F653 HydrophobicContact CE1-CD1 4.33Å; F121-F653 HydrophobicContact CE1-CG 4.49Å; F121-F653 AromaticContact CE2-CD1 3.91Å; F121-F653 HydrophobicContact CE2-CD1 3.91Å; F121-F653 HydrophobicContact CE2-CD2 4.13Å; F121-F653 AromaticContact CE2-CE1 3.97Å; F121-F653 HydrophobicContact CE2-CE1 3.97Å; F121-F653 HydrophobicContact CE2-CE2 4.17Å; F121-F653 AromaticContact CE2-CG 4Å; F121-F653 HydrophobicContact CE2-CG 4Å; F121-F653 HydrophobicContact CE2-CZ 4.09Å; F121-F653 AromaticContact CG-CD1 3.69Å; F121-F653 HydrophobicContact CG-CD1 3.69Å; F121-F653 AromaticContact CG-CE1 3.7Å; F121-F653 HydrophobicContact CG-CE1 3.7Å; F121-F653 HydrophobicContact CZ-CB 4.45Å; F121-F653 HydrophobicContact CZ-CD1 4.26Å; F121-F653 HydrophobicContact CZ-CG 4.16Å; F636-F653 HydrophobicContact CB-CD2 4.27Å; F636-F653 AromaticContact CD1-CD2 3.7Å; F636-F653 HydrophobicContact CD1-CD2 3.7Å; F636-F653 HydrophobicContact CD2-CB 3.91Å; F636-F653 HydrophobicContact CD2-CD2 4.34Å; F636-F653 HydrophobicContact CE1-CB 4.39Å; F636-F653 HydrophobicContact CE1-CD2 4.08Å; F636-F653 HydrophobicContact CE2-CB 3.78Å; F636-F653 HydrophobicContact CG-CB 4.27Å; F636-F653 AromaticContact CG-CD2 3.83Å; F636-F653 HydrophobicContact CG-CD2 3.83Å; F636-F653 HydrophobicContact CZ-CB 4.03Å; D649-F653 PolarHBondContact O-N 3.01Å; D649-F653 VanDerWaalsContact O-N 3.14Å; E650-F653 PolarHBondContact O-N 3.3Å; D651-F653 PolarHBondContact O-N 2.96Å; F653-Q655 VanDerWaalsContact C-N 3.35Å; F653-Q655 PolarHBondContact O-N 3.47Å; F653-L656 PolarHBondContact O-N 3Å; F653-T657 HydrophobicContact CD1-CG2 4.44Å; F653-T657 HydrophobicContact CD2-CG2 4.31Å; F653-T657 HydrophobicContact CE1-CG2 4.06Å; F653-T657 WeakPolarHBondContact CE1-OG1 3.37Å; F653-T657 HydrophobicContact CE2-CG2 3.94Å; F653-T657 HydrophobicContact CZ-CG2 3.81Å; F653-T657 WeakPolarHBondContact O-CB 3.41Å; F653-T657 WeakPolarHBondContact O-CG2 3.39Å; F653-T657 PolarHBondContact O-N 3.46Å; F653-T657 PolarHBondContact O-OG1 2.83Å
654L88.9Confident71.7Confident32 Ų3288.8 Ų88.817%0.16846%0.459CS..Hα-helixtrans-66.3-36.2179-69.1174.5000111.9E650 D651 L656 T657 G658E650-L654 WeakPolarHBondContact O-CB 3.46Å; E650-L654 VanDerWaalsContact O-CG 3.32Å; E650-L654 WeakPolarHBondContact O-CG 3.44Å; E650-L654 PolarHBondContact O-N 3.47Å; D651-L654 PolarHBondContact O-N 3.21Å; L654-L656 VanDerWaalsContact C-N 3.31Å; L654-L656 PolarHBondContact O-N 3.49Å; L654-T657 PolarHBondContact O-N 2.97Å; L654-G658 WeakPolarHBondContact O-CA 3.4Å; L654-G658 PolarHBondContact O-N 3.14Å
655Q89.4Confident72.8Confident133 Ų13383.6 Ų83.662%0.62145%0.446SS*.Hα-helixtrans-61.4-40.6173.8-177.3-179.8-14.200111.8D651 L652 F653D651-Q655 VanDerWaalsContact O-CB 3.32Å; D651-Q655 WeakPolarHBondContact O-CB 3.19Å; D651-Q655 PolarHBondContact O-N 3.1Å; L652-Q655 PolarHBondContact O-N 3.17Å; F653-Q655 VanDerWaalsContact C-N 3.35Å; F653-Q655 PolarHBondContact O-N 3.47Å
656L91.4Very high73.8Confident29 Ų2983.9 Ų83.915%0.15243%0.426CS..Hα-helixtrans-78.6-20.2-179.5-67.8170.6000113.5W596 G632 I635 F636 L652 F653 L654W596-L656 HydrophobicContact CH2-CD2 3.96Å; G632-L656 WeakPolarHBondContact CA-O 3.1Å; I635-L656 HydrophobicContact CG2-CD1 4.32Å; F636-L656 HydrophobicContact CB-CD1 3.86Å; F636-L656 HydrophobicContact CD2-CD1 4.35Å; L652-L656 HydrophobicContact CD1-CD1 4.05Å; L652-L656 HydrophobicContact CD1-CG 4.25Å; L652-L656 HydrophobicContact CG-CD1 4.02Å; L652-L656 VanDerWaalsContact O-CG 3.31Å; L652-L656 WeakPolarHBondContact O-CG 3.47Å; L652-L656 PolarHBondContact O-N 3.17Å; F653-L656 PolarHBondContact O-N 3Å; L654-L656 VanDerWaalsContact C-N 3.31Å; L654-L656 PolarHBondContact O-N 3.49Å
657T90.3Very high74.8Confident3 Ų383.1 Ų83.12%0.01842%0.424CS..Hα-helixtrans-119.6-23.9-170.659.50000115.8H628 E629 F653 L654H628-T657 PolarHBondContact CD2-O 3.46Å; H628-T657 PolarHBondContact NE2-O 3.41Å; E629-T657 HydrophobicContact CG-CG2 3.92Å; F653-T657 HydrophobicContact CD1-CG2 4.44Å; F653-T657 HydrophobicContact CD2-CG2 4.31Å; F653-T657 HydrophobicContact CE1-CG2 4.06Å; F653-T657 WeakPolarHBondContact CE1-OG1 3.37Å; F653-T657 HydrophobicContact CE2-CG2 3.94Å; F653-T657 HydrophobicContact CZ-CG2 3.81Å; F653-T657 WeakPolarHBondContact O-CB 3.41Å; F653-T657 WeakPolarHBondContact O-CG2 3.39Å; F653-T657 PolarHBondContact O-N 3.46Å; F653-T657 PolarHBondContact O-OG1 2.83Å; L654-T657 PolarHBondContact O-N 2.97Å
658G78Confident74.9Confident9 Ų976.5 Ų76.59%0.09340%0.396CS..SBendtrans-93.8-14.3-178.700000114.8S233 L654S233-G658 VanDerWaalsContact CB-CA 3.48Å; L654-G658 WeakPolarHBondContact O-CA 3.4Å; L654-G658 PolarHBondContact O-N 3.14Å
659G64.8Low74.3Confident22 Ų2278.5 Ų78.523%0.22741%0.406CS..  trans68.4179-168.100000112.5E661G659-E661 PolarHBondContact O-N 2.92Å
660H54Low73.3Confident192 Ų19278.1 Ų78.189%0.88940%0.403SS*.SBendtrans-69.423.4179.3-64.6-71.9000114.7A662H660-A662 PolarHBondContact O-N 3.26Å
661E47.4Very low72.3Confident113 Ų11379.3 Ų79.353%0.52841%0.411SS..  trans-77.966.2165.7-69.2-174.7177.400107.9R234 R625 G659 F663R234-E661 IonicContact CZ-OE2 3.37Å; R234-E661 IonicContact NH2-OE1 3.53Å; R234-E661 IonicContact NH2-OE2 3.61Å; R234-E661 PolarHBondContact NH2-OE2 3.13Å; R625-E661 IonicContact NH2-OE1 2.71Å; R625-E661 PolarHBondContact NH2-OE1 3.13Å; R625-E661 IonicContact NH2-OE2 2.7Å; R625-E661 PolarHBondContact NH2-OE2 3.37Å; G659-E661 PolarHBondContact O-N 2.92Å; E661-F663 PolarHBondContact O-N 3.36Å
662A30Very low70.9Confident81 Ų8176.7 Ų76.767%0.66940%0.396SS*.  trans-69.5121.6175.600000110.2H660H660-A662 PolarHBondContact O-N 3.26Å
663F35.1Very low69.2Low249 Ų24978.7 Ų78.7100%1.09241%0.406SS*.  trans47.50156.4-64.9-80000120E661E661-F663 PolarHBondContact O-N 3.36Å

Retrieved 663 of 663 residues in 266.1 ms (Link to these results)

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