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ZFP92 zinc finger protein

KRAB domain-containing zinc-finger protein that represses B1/Alu SINE transposable elements and modulates the transcription of nearby genes in a tissue-specific manner. It regulates glucose homeostasis and lipid metabolism by modulating the expression of the endocrine cell-defining transcription factor, MAFB, in pancreatic islets and, the fat metabolism regulator, ACACB, in adipose tissue and muscle.

AlphaFold DB , UniProt , Accession A0A096N4P6, Species PAPAN (Papio anubis, Olive baboon), Gene ZFP92, Length 416 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
1M41.3Very low35.9Very low250 Ų250151.4 Ų151.4100%1.23283%0.83SS**  088.40-78.7-72-173.600109.5
2A29.3Very low36.5Very low100 Ų100149.2 Ų149.283%0.82682%0.824SS**  trans-16793.6159.700000108.1
3A34.1Very low38.2Very low97 Ų97144.5 Ų144.580%0.80281%0.805SS**  trans-82.5116.8172.800000108.7
4I34.2Very low39.6Very low152 Ų152139.4 Ų139.478%0.77978%0.779SS**  trans-95.8100166.1-61.6178000107L6I4-L6 PolarHBondContact O-N 3.46Å
5L37Very low41.5Very low158 Ų158132.2 Ų132.283%0.82774%0.742SS**  trans-64.694.3168.7-71.8163.3000109T7L5-T7 PolarHBondContact O-N 3.41Å; L5-T7 VanDerWaalsContact O-N 3.16Å
6L34.6Very low43.3Very low154 Ų154124.4 Ų124.481%0.80670%0.697SS**  trans-77.295.4160.2-74.8172000107.6I4 T8I4-L6 PolarHBondContact O-N 3.46Å; L6-T8 PolarHBondContact O-N 3.06Å
7T31.5Very low44.8Very low126 Ų126123.5 Ų123.577%0.77369%0.686SS**  trans-53.7102.6168.152.90000109L5 R9L5-T7 PolarHBondContact O-N 3.41Å; L5-T7 VanDerWaalsContact O-N 3.16Å; T7-R9 PolarHBondContact O-N 3.42Å
8T37.6Very low45.9Very low130 Ų130122.4 Ų122.480%0.79868%0.679SS**  trans-64.8112.6168.844.70000107.4L6L6-T8 PolarHBondContact O-N 3.06Å
9R35.8Very low46.9Very low232 Ų232118.2 Ų118.288%0.87566%0.657SS**  trans-58.5129.1165-72.8-173.1-178.3-176.40.6107.2T7 K11T7-R9 PolarHBondContact O-N 3.42Å; R9-K11 PolarHBondContact O-N 3.26Å; R9-K11 VanDerWaalsContact O-N 3.08Å
10P33Very low48.3Very low120 Ų120113 Ų11378%0.77963%0.629SS**  trans-59.3119.7177.820.9-28.5000108.7V12P10-V12 PolarHBondContact O-N 3.2Å
11K46.6Very low49.4Very low146 Ų146111.4 Ų111.464%0.63562%0.622SS**  trans-60.6114.6170.1-87.8162.8171.1166.20107R9 P13R9-K11 PolarHBondContact O-N 3.26Å; R9-K11 VanDerWaalsContact O-N 3.08Å; K11-P13 WeakPolarHBondContact O-CD 3.42Å
12V43Very low50.8Low125 Ų125104.6 Ų104.676%0.75858%0.584SS**  trans-60.8120.2171-172.90000107.5P10 V14P10-V12 PolarHBondContact O-N 3.2Å; V12-V14 PolarHBondContact O-N 3.23Å
13P58.5Low52.5Low89 Ų89101.2 Ų101.258%0.57855%0.55SS**  trans-63.9132.5174.823.8-29.2000109.1K11 S15K11-P13 WeakPolarHBondContact O-CD 3.42Å; P13-S15 PolarHBondContact O-N 3.31Å
14V57.9Low53.9Low72 Ų7299.1 Ų99.144%0.43653%0.527SS..  trans-69.5115.6177.21780000107.7V12 D18 V19V12-V14 PolarHBondContact O-N 3.23Å; V14-D18 WeakPolarHBondContact CA-OD2 3.48Å; V14-D18 HydrophobicContact CG1-CB 4.07Å; V14-V19 HydrophobicContact CG1-CG1 3.96Å
15S68.6Low54.9Low32 Ų3297.3 Ų97.322%0.22451%0.514CS..  trans-88168.3177.572.80000111.4P13 E17 D18P13-S15 PolarHBondContact O-N 3.31Å; S15-E17 VanDerWaalsContact CB-OE2 3.28Å; S15-E17 WeakPolarHBondContact CB-OE2 3.49Å; S15-E17 PolarHBondContact O-N 3.46Å; S15-E17 WeakPolarHBondContact OG-CB 3.2Å; S15-E17 PolarHBondContact OG-N 3.42Å; S15-E17 PolarHBondContact OG-OE2 3.13Å; S15-D18 PolarHBondContact N-OD2 3.28Å; S15-D18 WeakPolarHBondContact O-CB 3.39Å; S15-D18 PolarHBondContact O-N 3.22Å; S15-D18 PolarHBondContact OG-N 2.92Å; S15-D18 PolarHBondContact OG-OD2 3.41Å
16F69.6Low55.6Low7 Ų794.5 Ų94.53%0.03150%0.503CS..SBendtrans-63.9-30.2173.4-179.2-98.9000111.1D18 V19 S20 Y47 L50 P60 L62 I63F16-D18 VanDerWaalsContact C-N 3.27Å; F16-D18 PolarHBondContact O-N 3.22Å; F16-V19 HydrophobicContact CD2-CG2 4.27Å; F16-V19 CarbonylContact O-C 3.6Å; F16-V19 VanDerWaalsContact O-CG2 3.29Å; F16-V19 WeakPolarHBondContact O-CG2 3.49Å; F16-V19 PolarHBondContact O-N 3.11Å; F16-S20 VanDerWaalsContact O-CB 3.29Å; F16-S20 WeakPolarHBondContact O-CB 3.43Å; F16-S20 PolarHBondContact O-N 3.22Å; F16-S20 PolarHBondContact O-OG 3.45Å; F16-Y47 HydrophobicContact CD2-CD2 4.31Å; F16-Y47 HydrophobicContact CE2-CD2 4.46Å; F16-L50 HydrophobicContact CB-CD1 4.13Å; F16-L50 HydrophobicContact CD2-CD1 3.83Å; F16-L50 HydrophobicContact CG-CD1 4.47Å; F16-P60 HydrophobicContact CB-CG 3.95Å; F16-P60 HydrophobicContact CD1-CB 3.51Å; F16-P60 HydrophobicContact CD1-CG 3.56Å; F16-P60 HydrophobicContact CD2-CG 4.19Å; F16-P60 HydrophobicContact CE1-CB 3.8Å; F16-P60 HydrophobicContact CE1-CG 4.13Å; F16-P60 HydrophobicContact CG-CB 4.12Å; F16-P60 HydrophobicContact CG-CG 3.61Å; F16-L62 HydrophobicContact CE1-CB 4.2Å; F16-L62 HydrophobicContact CE1-CD2 3.85Å; F16-L62 HydrophobicContact CZ-CD2 4.24Å; F16-I63 HydrophobicContact CE1-CD1 4.34Å; F16-I63 HydrophobicContact CE1-CG1 4Å; F16-I63 HydrophobicContact CE2-CD1 3.8Å; F16-I63 HydrophobicContact CE2-CG1 3.88Å; F16-I63 HydrophobicContact CZ-CD1 3.41Å; F16-I63 VanDerWaalsContact CZ-CD1 3.41Å; F16-I63 HydrophobicContact CZ-CG1 3.47Å; F16-I63 VanDerWaalsContact CZ-CG1 3.47Å
17E69.8Low57Low109 Ų10991.4 Ų91.451%0.50949%0.485SS..THydrogen-bonded Turntrans-63.4-29.8175.3-65.265.9-146.900112.5S15 V19 S20S15-E17 VanDerWaalsContact CB-OE2 3.28Å; S15-E17 WeakPolarHBondContact CB-OE2 3.49Å; S15-E17 PolarHBondContact O-N 3.46Å; S15-E17 WeakPolarHBondContact OG-CB 3.2Å; S15-E17 PolarHBondContact OG-N 3.42Å; S15-E17 PolarHBondContact OG-OE2 3.13Å; E17-V19 VanDerWaalsContact C-N 3.27Å; E17-V19 PolarHBondContact O-N 3.1Å; E17-S20 WeakPolarHBondContact CA-OG 3.31Å; E17-S20 PolarHBondContact O-OG 3.05Å
18D64Low59Low104 Ų10486.5 Ų86.556%0.55645%0.452SS*.THydrogen-bonded Turntrans-73.8-19.4177.1-65.9-37.3000113.3V14 S15 F16V14-D18 WeakPolarHBondContact CA-OD2 3.48Å; V14-D18 HydrophobicContact CG1-CB 4.07Å; S15-D18 PolarHBondContact N-OD2 3.28Å; S15-D18 WeakPolarHBondContact O-CB 3.39Å; S15-D18 PolarHBondContact O-N 3.22Å; S15-D18 PolarHBondContact OG-N 2.92Å; S15-D18 PolarHBondContact OG-OD2 3.41Å; F16-D18 VanDerWaalsContact C-N 3.27Å; F16-D18 PolarHBondContact O-N 3.22Å
19V64.9Low60.5Low43 Ų4387.1 Ų87.126%0.26144%0.444SS..THydrogen-bonded Turntrans-117.10-176.3-59.80000113.4V14 F16 E17 N46 L50V14-V19 HydrophobicContact CG1-CG1 3.96Å; F16-V19 HydrophobicContact CD2-CG2 4.27Å; F16-V19 CarbonylContact O-C 3.6Å; F16-V19 VanDerWaalsContact O-CG2 3.29Å; F16-V19 WeakPolarHBondContact O-CG2 3.49Å; F16-V19 PolarHBondContact O-N 3.11Å; E17-V19 VanDerWaalsContact C-N 3.27Å; E17-V19 PolarHBondContact O-N 3.1Å; V19-N46 HydrophobicContact CG2-CB 4.47Å; V19-N46 PolarHBondContact O-ND2 3.3Å; V19-N46 VanDerWaalsContact O-ND2 3.13Å; V19-L50 HydrophobicContact CG2-CD1 3.54Å
20S74.1Confident62.1Low14 Ų1483 Ų8310%0.09844%0.438CS..  trans-96153.6176.168.80000111.2F16 E17 Y22F16-S20 VanDerWaalsContact O-CB 3.29Å; F16-S20 WeakPolarHBondContact O-CB 3.43Å; F16-S20 PolarHBondContact O-N 3.22Å; F16-S20 PolarHBondContact O-OG 3.45Å; E17-S20 WeakPolarHBondContact CA-OG 3.31Å; E17-S20 PolarHBondContact O-OG 3.05Å; S20-Y22 WeakPolarHBondContact OG-CE2 3.44Å; S20-Y22 PolarHBondContact OG-OH 2.83Å
21V71.4Confident63.8Low79 Ų7977.8 Ų77.848%0.47940%0.404SS..  trans-128104.2178.8177.20000108Y39V21-Y39 HydrophobicContact CB-CE2 4.34Å; V21-Y39 WeakPolarHBondContact O-CE2 3.49Å; V21-Y39 VanDerWaalsContact O-CZ 3.31Å; V21-Y39 PolarHBondContact O-OH 2.88Å
22Y71.1Confident64.7Low108 Ų10874.7 Ų74.742%0.42439%0.394SS..  trans-77.6147.9179.4-59.5-90.3000111.4S20 L62S20-Y22 WeakPolarHBondContact OG-CE2 3.44Å; S20-Y22 PolarHBondContact OG-OH 2.83Å; Y22-L62 HydrophobicContact CD1-CD1 4.33Å; Y22-L62 HydrophobicContact CD1-CD2 4.48Å; Y22-L62 HydrophobicContact CE1-CD1 4.24Å; Y22-L62 HydrophobicContact CE1-CD2 4.01Å
23F65.2Low65.6Low29 Ų2975.3 Ų75.313%0.12739%0.392CS..  trans-116.1145.5172.1-67.5-75.7000109.8E27 W28 L31 Y39F23-E27 HydrophobicContact CB-CB 4.29Å; F23-E27 HydrophobicContact CD1-CB 4.12Å; F23-W28 HydrophobicContact CB-CB 4.21Å; F23-W28 HydrophobicContact CB-CE3 4.25Å; F23-W28 AromaticContact CD2-CE3 3.56Å; F23-W28 HydrophobicContact CD2-CE3 3.56Å; F23-W28 AromaticContact CD2-CZ3 3.81Å; F23-W28 HydrophobicContact CD2-CZ3 3.81Å; F23-W28 HydrophobicContact CE2-CE3 4.16Å; F23-W28 HydrophobicContact CE2-CZ3 4.06Å; F23-W28 HydrophobicContact CG-CE3 4.1Å; F23-L31 HydrophobicContact CD1-CD1 4.26Å; F23-L31 HydrophobicContact CD2-CD1 4.15Å; F23-L31 HydrophobicContact CE1-CD1 3.99Å; F23-L31 HydrophobicContact CE1-CD2 4.42Å; F23-L31 HydrophobicContact CE2-CD1 3.83Å; F23-L31 HydrophobicContact CG-CD1 4.34Å; F23-L31 HydrophobicContact CZ-CD1 3.76Å; F23-Y39 HydrophobicContact CD2-CD2 4.41Å; F23-Y39 HydrophobicContact CD2-CE1 4.41Å; F23-Y39 HydrophobicContact CD2-CE2 4.08Å; F23-Y39 HydrophobicContact CE2-CD1 4.27Å; F23-Y39 AromaticContact CE2-CD2 3.45Å; F23-Y39 HydrophobicContact CE2-CD2 3.45Å; F23-Y39 VanDerWaalsContact CE2-CD2 3.45Å; F23-Y39 HydrophobicContact CE2-CE1 4.28Å; F23-Y39 AromaticContact CE2-CE2 3.45Å; F23-Y39 HydrophobicContact CE2-CE2 3.45Å; F23-Y39 VanDerWaalsContact CE2-CE2 3.45Å; F23-Y39 AromaticContact CE2-CG 3.84Å; F23-Y39 HydrophobicContact CE2-CG 3.84Å; F23-Y39 AromaticContact CE2-CZ 3.87Å; F23-Y39 HydrophobicContact CZ-CD2 4.18Å; F23-Y39 HydrophobicContact CZ-CE2 4.38Å
24T64.7Low65.5Low52 Ų5281.5 Ų81.532%0.31940%0.404SS..  trans-75.6166.7166.766.60000111.3T26 E27 W28T24-T26 PolarHBondContact O-N 3.11Å; T24-T26 PolarHBondContact OG1-OG1 3.07Å; T24-T26 VanDerWaalsContact OG1-OG1 3.14Å; T24-E27 PolarHBondContact N-OE2 2.9Å; T24-E27 PolarHBondContact O-N 2.91Å; T24-E27 WeakPolarHBondContact OG1-CB 3.49Å; T24-E27 WeakPolarHBondContact OG1-CG 3.46Å; T24-E27 PolarHBondContact OG1-N 3.28Å; T24-E27 PolarHBondContact OG1-OE2 3.44Å; T24-W28 PolarHBondContact O-N 2.76Å
25K54.3Low66Low114 Ų11481.8 Ų81.850%0.49640%0.401SS..Hα-helixtrans-61.2-32.7-178.9-173.7172.6-171.6178.30113.4K29 W73K25-K29 WeakPolarHBondContact O-CG 3.19Å; K25-W73 VanDerWaalsContact CA-CE3 3.47Å; K25-W73 VanDerWaalsContact CA-CZ3 3.43Å; K25-W73 HydrophobicContact CB-CE3 3.69Å; K25-W73 HydrophobicContact CB-CZ3 3.85Å; K25-W73 HydrophobicContact CD-CE3 4.47Å; K25-W73 HydrophobicContact CG-CD2 4.38Å; K25-W73 HydrophobicContact CG-CE3 3.58Å; K25-W73 HydrophobicContact CG-CH2 4.15Å; K25-W73 HydrophobicContact CG-CZ3 3.46Å; K25-W73 VanDerWaalsContact CG-CZ3 3.46Å; K25-W73 WeakPolarHBondContact O-CZ3 3.38Å
26T51.8Low66.2Low99 Ų9982.9 Ų82.961%0.60740%0.402SS*.Hα-helixtrans-76.4-42.5176.652.70000111T24 W28 K29 L30T24-T26 PolarHBondContact O-N 3.11Å; T24-T26 PolarHBondContact OG1-OG1 3.07Å; T24-T26 VanDerWaalsContact OG1-OG1 3.14Å; T26-W28 PolarHBondContact O-N 3.41Å; T26-K29 PolarHBondContact O-N 3.37Å; T26-L30 WeakPolarHBondContact O-CG 3.31Å; T26-L30 PolarHBondContact O-N 3.41Å
27E64.4Low66.1Low89 Ų8987 Ų8742%0.41643%0.427SS..Hα-helixtrans-64.9-39.4178.2-71.7172.6151.800113.3F23 T24 L30 L31F23-E27 HydrophobicContact CB-CB 4.29Å; F23-E27 HydrophobicContact CD1-CB 4.12Å; T24-E27 PolarHBondContact N-OE2 2.9Å; T24-E27 PolarHBondContact O-N 2.91Å; T24-E27 WeakPolarHBondContact OG1-CB 3.49Å; T24-E27 WeakPolarHBondContact OG1-CG 3.46Å; T24-E27 PolarHBondContact OG1-N 3.28Å; T24-E27 PolarHBondContact OG1-OE2 3.44Å; E27-L30 PolarHBondContact O-N 2.8Å; E27-L31 PolarHBondContact O-N 3.04Å
28W72.1Confident66.2Low24 Ų2486.9 Ų86.99%0.09143%0.429CS..Hα-helixtrans-68.2-34.2178.3-176.4-100.1000112.7F23 T24 T26 L30 L31 K36 Y39 L66 P72 W73F23-W28 HydrophobicContact CB-CB 4.21Å; F23-W28 HydrophobicContact CB-CE3 4.25Å; F23-W28 AromaticContact CD2-CE3 3.56Å; F23-W28 HydrophobicContact CD2-CE3 3.56Å; F23-W28 AromaticContact CD2-CZ3 3.81Å; F23-W28 HydrophobicContact CD2-CZ3 3.81Å; F23-W28 HydrophobicContact CE2-CE3 4.16Å; F23-W28 HydrophobicContact CE2-CZ3 4.06Å; F23-W28 HydrophobicContact CG-CE3 4.1Å; T24-W28 PolarHBondContact O-N 2.76Å; T26-W28 PolarHBondContact O-N 3.41Å; W28-L30 PolarHBondContact O-N 3.28Å; W28-L31 HydrophobicContact CD2-CD1 4.35Å; W28-L31 HydrophobicContact CE3-CD1 3.63Å; W28-L31 HydrophobicContact CZ3-CD1 3.96Å; W28-L31 PolarHBondContact O-N 3.24Å; W28-K36 HydrophobicContact CH2-CB 4.27Å; W28-K36 HydrophobicContact CH2-CG 4.08Å; W28-K36 HydrophobicContact CZ2-CB 4.21Å; W28-K36 HydrophobicContact CZ2-CD 4.23Å; W28-K36 HydrophobicContact CZ2-CG 3.84Å; W28-K36 WeakPolarHBondContact O-CE 3.4Å; W28-K36 PolarHBondContact O-NZ 3.36Å; W28-K36 VanDerWaalsContact O-NZ 3.16Å; W28-Y39 AromaticContact CH2-CD1 3.62Å; W28-Y39 HydrophobicContact CH2-CD1 3.62Å; W28-Y39 HydrophobicContact CH2-CE1 4.08Å; W28-Y39 AromaticContact CZ3-CD1 3.4Å; W28-Y39 HydrophobicContact CZ3-CD1 3.4Å; W28-Y39 AromaticContact CZ3-CE1 3.7Å; W28-Y39 HydrophobicContact CZ3-CE1 3.7Å; W28-Y39 HydrophobicContact CZ3-CG 4.08Å; W28-L66 HydrophobicContact CH2-CD2 4.39Å; W28-P72 HydrophobicContact CD2-CG 4.15Å; W28-P72 VanDerWaalsContact CE2-CD 3.45Å; W28-P72 HydrophobicContact CE3-CG 3.74Å; W28-P72 HydrophobicContact CH2-CG 4.03Å; W28-P72 VanDerWaalsContact CZ2-CD 3.48Å; W28-P72 HydrophobicContact CZ2-CG 4.4Å; W28-P72 HydrophobicContact CZ3-CG 3.69Å; W28-W73 HydrophobicContact CB-CE3 4.36Å; W28-W73 HydrophobicContact CB-CH2 4.3Å; W28-W73 HydrophobicContact CB-CZ3 3.69Å; W28-W73 AromaticContact CD1-CH2 3.42Å; W28-W73 VanDerWaalsContact CD1-CH2 3.42Å; W28-W73 AromaticContact CD1-CZ2 3.97Å; W28-W73 AromaticContact CD1-CZ3 3.67Å; W28-W73 HydrophobicContact CG-CH2 4.17Å; W28-W73 AromaticContact CG-CZ3 3.97Å; W28-W73 HydrophobicContact CG-CZ3 3.97Å
29K69.1Low66.8Low143 Ų14382.9 Ų82.962%0.62241%0.407SS*.Hα-helixtrans-65.6-29.4174.5-76.5-178.7177.7-172.60112.3K25 T26 L31 W73K25-K29 WeakPolarHBondContact O-CG 3.19Å; T26-K29 PolarHBondContact O-N 3.37Å; K29-L31 VanDerWaalsContact C-N 3.31Å; K29-W73 HydrophobicContact CG-CH2 4.38Å
30L69.6Low67.2Low145 Ų14584.3 Ų84.376%0.75941%0.409SS*.THydrogen-bonded Turntrans-78.4-12.4177.9-64.5171.1000113.7T26 E27 W28T26-L30 WeakPolarHBondContact O-CG 3.31Å; T26-L30 PolarHBondContact O-N 3.41Å; E27-L30 PolarHBondContact O-N 2.8Å; W28-L30 PolarHBondContact O-N 3.28Å
31L69.7Low67Low11 Ų1192.2 Ų92.26%0.05844%0.437CS..SBendtrans-78.3130.7175.5-61.1175.8000110.9F23 E27 W28 K29 Q35 K36F23-L31 HydrophobicContact CD1-CD1 4.26Å; F23-L31 HydrophobicContact CD2-CD1 4.15Å; F23-L31 HydrophobicContact CE1-CD1 3.99Å; F23-L31 HydrophobicContact CE1-CD2 4.42Å; F23-L31 HydrophobicContact CE2-CD1 3.83Å; F23-L31 HydrophobicContact CG-CD1 4.34Å; F23-L31 HydrophobicContact CZ-CD1 3.76Å; E27-L31 PolarHBondContact O-N 3.04Å; W28-L31 HydrophobicContact CD2-CD1 4.35Å; W28-L31 HydrophobicContact CE3-CD1 3.63Å; W28-L31 HydrophobicContact CZ3-CD1 3.96Å; W28-L31 PolarHBondContact O-N 3.24Å; K29-L31 VanDerWaalsContact C-N 3.31Å; L31-Q35 HydrophobicContact CB-CB 4.14Å; L31-Q35 HydrophobicContact CD2-CB 4.18Å; L31-Q35 VanDerWaalsContact CD2-OE1 3.26Å; L31-K36 HydrophobicContact CB-CD 4.46Å; L31-K36 HydrophobicContact CB-CG 3.83Å; L31-K36 HydrophobicContact CD1-CG 4.44Å; L31-K36 WeakPolarHBondContact O-CE 3.35Å; L31-K36 PolarHBondContact O-NZ 3.36Å
32D64.6Low67.2Low80 Ų8091.1 Ų91.143%0.42843%0.43SS..  trans-69.1166.8170.671.549.7000111.6R34 Q35 K36D32-R34 PolarHBondContact O-N 3.27Å; D32-R34 WeakPolarHBondContact OD1-CA 3.47Å; D32-R34 WeakPolarHBondContact OD1-CB 3.43Å; D32-R34 PolarHBondContact OD1-N 3.06Å; D32-Q35 PolarHBondContact O-N 3.04Å; D32-Q35 WeakPolarHBondContact OD1-CG 3.44Å; D32-Q35 PolarHBondContact OD1-N 3.23Å; D32-Q35 VanDerWaalsContact OD2-CD 3.31Å; D32-Q35 PolarHBondContact OD2-NE2 3.16Å; D32-K36 WeakPolarHBondContact O-CG 3.46Å; D32-K36 PolarHBondContact O-N 3.42Å
33L62.4Low67.7Low138 Ų13886.2 Ų86.272%0.72341%0.412SS*.Hα-helixtrans-59.8-34.5-176.4-172.163.9000112.5V37L33-V37 WeakPolarHBondContact O-CB 3.43Å; L33-V37 VanDerWaalsContact O-CG2 3.22Å; L33-V37 WeakPolarHBondContact O-CG2 3.33Å; L33-V37 PolarHBondContact O-N 3.37Å
34R56.5Low68.2Low219 Ų21987.1 Ų87.183%0.82642%0.417SS*.Hα-helixtrans-72.6-38.1-179.9-63.2-177.8177.7-161.1-0.6111.1D32 V37 L38D32-R34 PolarHBondContact O-N 3.27Å; D32-R34 WeakPolarHBondContact OD1-CA 3.47Å; D32-R34 WeakPolarHBondContact OD1-CB 3.43Å; D32-R34 PolarHBondContact OD1-N 3.06Å; R34-V37 PolarHBondContact O-N 3.22Å; R34-L38 WeakPolarHBondContact O-CB 3.24Å; R34-L38 PolarHBondContact O-N 3.27Å
35Q68.3Low68.8Low78 Ų7888.6 Ų88.636%0.36442%0.421SS..Hα-helixtrans-66.2-39.9175.4-69.1174.2-600111.8L31 D32 L38 Y39L31-Q35 HydrophobicContact CB-CB 4.14Å; L31-Q35 HydrophobicContact CD2-CB 4.18Å; L31-Q35 VanDerWaalsContact CD2-OE1 3.26Å; D32-Q35 PolarHBondContact O-N 3.04Å; D32-Q35 WeakPolarHBondContact OD1-CG 3.44Å; D32-Q35 PolarHBondContact OD1-N 3.23Å; D32-Q35 VanDerWaalsContact OD2-CD 3.31Å; D32-Q35 PolarHBondContact OD2-NE2 3.16Å; Q35-L38 PolarHBondContact O-N 2.89Å; Q35-Y39 WeakPolarHBondContact O-CB 3.47Å; Q35-Y39 PolarHBondContact O-N 3Å
36K73.7Confident69.8Low56 Ų5685.3 Ų85.324%0.24341%0.409CS..Hα-helixtrans-64.4-44.1174.5-72.3171.5171.3147.40112.1W28 L31 D32 Y39 K40W28-K36 HydrophobicContact CH2-CB 4.27Å; W28-K36 HydrophobicContact CH2-CG 4.08Å; W28-K36 HydrophobicContact CZ2-CB 4.21Å; W28-K36 HydrophobicContact CZ2-CD 4.23Å; W28-K36 HydrophobicContact CZ2-CG 3.84Å; W28-K36 WeakPolarHBondContact O-CE 3.4Å; W28-K36 PolarHBondContact O-NZ 3.36Å; W28-K36 VanDerWaalsContact O-NZ 3.16Å; L31-K36 HydrophobicContact CB-CD 4.46Å; L31-K36 HydrophobicContact CB-CG 3.83Å; L31-K36 HydrophobicContact CD1-CG 4.44Å; L31-K36 WeakPolarHBondContact O-CE 3.35Å; L31-K36 PolarHBondContact O-NZ 3.36Å; D32-K36 WeakPolarHBondContact O-CG 3.46Å; D32-K36 PolarHBondContact O-N 3.42Å; K36-Y39 PolarHBondContact O-N 3.26Å; K36-K40 PolarHBondContact O-N 3.38Å
37V67.3Low71Confident92 Ų9282.9 Ų82.956%0.55839%0.388SS*.Hα-helixtrans-64-43.6175.9169.90000111.3L33 R34 K40 R41L33-V37 WeakPolarHBondContact O-CB 3.43Å; L33-V37 VanDerWaalsContact O-CG2 3.22Å; L33-V37 WeakPolarHBondContact O-CG2 3.33Å; L33-V37 PolarHBondContact O-N 3.37Å; R34-V37 PolarHBondContact O-N 3.22Å; V37-K40 PolarHBondContact O-N 2.98Å; V37-R41 WeakPolarHBondContact O-CB 3.36Å; V37-R41 PolarHBondContact O-N 2.93Å
38L70.8Confident71.6Confident108 Ų10881.6 Ų81.657%0.56539%0.39SS*.Hα-helixtrans-62.5-44.2176.618062.2000111.4R34 Q35 R41 V42R34-L38 WeakPolarHBondContact O-CB 3.24Å; R34-L38 PolarHBondContact O-N 3.27Å; Q35-L38 PolarHBondContact O-N 2.89Å; L38-R41 PolarHBondContact O-N 2.87Å; L38-V42 HydrophobicContact CD1-CG2 4.11Å; L38-V42 HydrophobicContact CG-CG2 4.41Å; L38-V42 VanDerWaalsContact O-CG2 3.29Å; L38-V42 WeakPolarHBondContact O-CG2 3.49Å; L38-V42 PolarHBondContact O-N 3.23Å
39Y77.6Confident71.4Confident19 Ų1983.6 Ų83.68%0.07540%0.4CS..Hα-helixtrans-60.7-48177174.1-99.3000111.9V21 F23 W28 Q35 K36 R41 V42 M43 L66 P72V21-Y39 HydrophobicContact CB-CE2 4.34Å; V21-Y39 WeakPolarHBondContact O-CE2 3.49Å; V21-Y39 VanDerWaalsContact O-CZ 3.31Å; V21-Y39 PolarHBondContact O-OH 2.88Å; F23-Y39 HydrophobicContact CD2-CD2 4.41Å; F23-Y39 HydrophobicContact CD2-CE1 4.41Å; F23-Y39 HydrophobicContact CD2-CE2 4.08Å; F23-Y39 HydrophobicContact CE2-CD1 4.27Å; F23-Y39 AromaticContact CE2-CD2 3.45Å; F23-Y39 HydrophobicContact CE2-CD2 3.45Å; F23-Y39 VanDerWaalsContact CE2-CD2 3.45Å; F23-Y39 HydrophobicContact CE2-CE1 4.28Å; F23-Y39 AromaticContact CE2-CE2 3.45Å; F23-Y39 HydrophobicContact CE2-CE2 3.45Å; F23-Y39 VanDerWaalsContact CE2-CE2 3.45Å; F23-Y39 AromaticContact CE2-CG 3.84Å; F23-Y39 HydrophobicContact CE2-CG 3.84Å; F23-Y39 AromaticContact CE2-CZ 3.87Å; F23-Y39 HydrophobicContact CZ-CD2 4.18Å; F23-Y39 HydrophobicContact CZ-CE2 4.38Å; W28-Y39 AromaticContact CH2-CD1 3.62Å; W28-Y39 HydrophobicContact CH2-CD1 3.62Å; W28-Y39 HydrophobicContact CH2-CE1 4.08Å; W28-Y39 AromaticContact CZ3-CD1 3.4Å; W28-Y39 HydrophobicContact CZ3-CD1 3.4Å; W28-Y39 AromaticContact CZ3-CE1 3.7Å; W28-Y39 HydrophobicContact CZ3-CE1 3.7Å; W28-Y39 HydrophobicContact CZ3-CG 4.08Å; Q35-Y39 WeakPolarHBondContact O-CB 3.47Å; Q35-Y39 PolarHBondContact O-N 3Å; K36-Y39 PolarHBondContact O-N 3.26Å; Y39-R41 VanDerWaalsContact C-N 3.29Å; Y39-R41 PolarHBondContact O-N 3.49Å; Y39-V42 PolarHBondContact O-N 3.03Å; Y39-M43 HydrophobicContact CD1-CG 4.25Å; Y39-M43 HydrophobicContact CD2-CG 3.92Å; Y39-M43 HydrophobicContact CE1-CG 3.86Å; Y39-M43 HydrophobicContact CE2-CE 4.33Å; Y39-M43 HydrophobicContact CE2-CG 3.49Å; Y39-M43 VanDerWaalsContact CE2-CG 3.49Å; Y39-M43 HydrophobicContact CE2-SD 3.8Å; Y39-M43 HydrophobicContact CG-CG 4.32Å; Y39-M43 VanDerWaalsContact CZ-CG 3.48Å; Y39-M43 WeakPolarHBondContact O-CG 3.4Å; Y39-M43 PolarHBondContact O-N 3.49Å; Y39-L66 HydrophobicContact CD1-CD1 4.5Å; Y39-L66 HydrophobicContact CD1-CD2 4.2Å; Y39-L66 HydrophobicContact CE1-CD1 3.97Å; Y39-L66 HydrophobicContact CE1-CD2 4.02Å; Y39-P72 HydrophobicContact CE1-CG 4.04Å
40K73.5Confident71.4Confident73 Ų7377.6 Ų77.632%0.31737%0.374SS..Hα-helixtrans-55.1-46.4175176.1168.6172.8165.20111.1K36 V37 L44 L66K36-K40 PolarHBondContact O-N 3.38Å; V37-K40 PolarHBondContact O-N 2.98Å; K40-L44 HydrophobicContact CG-CD1 3.79Å; K40-L44 HydrophobicContact CG-CG 4.47Å; K40-L44 WeakPolarHBondContact O-CB 3.3Å; K40-L44 VanDerWaalsContact O-CG 3.24Å; K40-L44 WeakPolarHBondContact O-CG 3.49Å; K40-L44 PolarHBondContact O-N 3.49Å; K40-L66 HydrophobicContact CB-CD2 4.32Å; K40-L66 WeakPolarHBondContact CD-O 3.35Å; K40-L66 WeakPolarHBondContact CE-O 3.29Å; K40-L66 HydrophobicContact CG-CB 4.38Å; K40-L66 PolarHBondContact NZ-O 3.07Å
41R68.3Low71.4Confident180 Ų18074.3 Ų74.368%0.67936%0.36SS*.Hα-helixtrans-61.3-47.5178.8-171.6178.2-176.3168.95.3112.3V37 L38 Y39 E45V37-R41 WeakPolarHBondContact O-CB 3.36Å; V37-R41 PolarHBondContact O-N 2.93Å; L38-R41 PolarHBondContact O-N 2.87Å; Y39-R41 VanDerWaalsContact C-N 3.29Å; Y39-R41 PolarHBondContact O-N 3.49Å; R41-E45 VanDerWaalsContact O-CB 3.24Å; R41-E45 WeakPolarHBondContact O-CB 3.33Å; R41-E45 PolarHBondContact O-N 3.02Å
42V76.6Confident71.4Confident56 Ų5678.4 Ų78.434%0.33939%0.39SS..Hα-helixtrans-67-39.7-178173.80000111.5L38 Y39 N46L38-V42 HydrophobicContact CD1-CG2 4.11Å; L38-V42 HydrophobicContact CG-CG2 4.41Å; L38-V42 VanDerWaalsContact O-CG2 3.29Å; L38-V42 WeakPolarHBondContact O-CG2 3.49Å; L38-V42 PolarHBondContact O-N 3.23Å; Y39-V42 PolarHBondContact O-N 3.03Å; V42-N46 WeakPolarHBondContact O-CB 3.42Å; V42-N46 PolarHBondContact O-N 3.08Å; V42-N46 PolarHBondContact O-OD1 3.47Å
43M81.9Confident71.6Confident6 Ų679.9 Ų79.93%0.0340%0.397CS..Hα-helixtrans-69.9-39.6178.7-66.1-63.296.100112.5Y39 N46 Y47 I63 L66Y39-M43 HydrophobicContact CD1-CG 4.25Å; Y39-M43 HydrophobicContact CD2-CG 3.92Å; Y39-M43 HydrophobicContact CE1-CG 3.86Å; Y39-M43 HydrophobicContact CE2-CE 4.33Å; Y39-M43 HydrophobicContact CE2-CG 3.49Å; Y39-M43 VanDerWaalsContact CE2-CG 3.49Å; Y39-M43 HydrophobicContact CE2-SD 3.8Å; Y39-M43 HydrophobicContact CG-CG 4.32Å; Y39-M43 VanDerWaalsContact CZ-CG 3.48Å; Y39-M43 WeakPolarHBondContact O-CG 3.4Å; Y39-M43 PolarHBondContact O-N 3.49Å; M43-N46 WeakPolarHBondContact CE-ND2 3.47Å; M43-N46 PolarHBondContact O-N 3.41Å; M43-Y47 PolarHBondContact O-N 3.43Å; M43-I63 HydrophobicContact CB-CD1 4.27Å; M43-I63 WeakPolarHBondContact O-CD1 3.45Å; M43-L66 HydrophobicContact CB-CD1 3.7Å; M43-L66 HydrophobicContact CG-CD1 4.13Å
44L75.4Confident71.3Confident48 Ų4876.6 Ų76.625%0.25140%0.396SS..Hα-helixtrans-66.6-39.9174.5-69.2172.2000112K40 Y47 S48 I63 E67K40-L44 HydrophobicContact CG-CD1 3.79Å; K40-L44 HydrophobicContact CG-CG 4.47Å; K40-L44 WeakPolarHBondContact O-CB 3.3Å; K40-L44 VanDerWaalsContact O-CG 3.24Å; K40-L44 WeakPolarHBondContact O-CG 3.49Å; K40-L44 PolarHBondContact O-N 3.49Å; L44-Y47 PolarHBondContact O-N 2.81Å; L44-S48 WeakPolarHBondContact O-CB 3.45Å; L44-S48 PolarHBondContact O-N 3.12Å; L44-I63 HydrophobicContact CD2-CD1 4.29Å; L44-I63 HydrophobicContact CD2-CG2 3.95Å; L44-E67 HydrophobicContact CD2-CG 3.77Å
45E77.4Confident71.4Confident83 Ų8369.9 Ų69.939%0.38837%0.373SS..Hα-helixtrans-65.2-42.9175-177173-171.200111.3R41 Y47 S48 H49R41-E45 VanDerWaalsContact O-CB 3.24Å; R41-E45 WeakPolarHBondContact O-CB 3.33Å; R41-E45 PolarHBondContact O-N 3.02Å; E45-Y47 PolarHBondContact O-N 3.38Å; E45-S48 PolarHBondContact O-N 3.4Å; E45-H49 WeakPolarHBondContact CG-CE1 3.27Å; E45-H49 WeakPolarHBondContact O-CB 3.36Å; E45-H49 PolarHBondContact O-N 3.49Å; E45-H49 PolarHBondContact O-ND1 2.74Å; E45-H49 IonicContact OE1-CE1 2.85Å
46N74.3Confident70.6Confident45 Ų4572 Ų7224%0.24140%0.396CS..Hα-helixtrans-60.5-43.3173.9-74.5-3.1000112.2V19 V42 M43 H49 L50V19-N46 HydrophobicContact CG2-CB 4.47Å; V19-N46 PolarHBondContact O-ND2 3.3Å; V19-N46 VanDerWaalsContact O-ND2 3.13Å; V42-N46 WeakPolarHBondContact O-CB 3.42Å; V42-N46 PolarHBondContact O-N 3.08Å; V42-N46 PolarHBondContact O-OD1 3.47Å; M43-N46 WeakPolarHBondContact CE-ND2 3.47Å; M43-N46 PolarHBondContact O-N 3.41Å; N46-H49 PolarHBondContact O-N 3.33Å; N46-L50 WeakPolarHBondContact O-CG 2.93Å; N46-L50 PolarHBondContact O-N 3.31Å; N46-L50 VanDerWaalsContact O-N 3.08Å
47Y78.1Confident69.8Low47 Ų4774.2 Ų74.218%0.18441%0.406CS..Hα-helixtrans-63.5-47.3176175.6-112000111.8F16 M43 L44 E45 H49 L50 V51 P60 I63F16-Y47 HydrophobicContact CD2-CD2 4.31Å; F16-Y47 HydrophobicContact CE2-CD2 4.46Å; M43-Y47 PolarHBondContact O-N 3.43Å; L44-Y47 PolarHBondContact O-N 2.81Å; E45-Y47 PolarHBondContact O-N 3.38Å; Y47-H49 VanDerWaalsContact C-N 3.26Å; Y47-H49 PolarHBondContact O-N 3.11Å; Y47-L50 PolarHBondContact O-N 2.65Å; Y47-L50 VanDerWaalsContact O-N 3.12Å; Y47-V51 HydrophobicContact CD1-CG2 4.45Å; Y47-V51 HydrophobicContact CD2-CG2 4.25Å; Y47-V51 HydrophobicContact CE1-CG2 4.04Å; Y47-V51 HydrophobicContact CE2-CG2 3.8Å; Y47-V51 WeakPolarHBondContact O-CG2 3.31Å; Y47-V51 PolarHBondContact O-N 3.45Å; Y47-P60 HydrophobicContact CD2-CG 4.18Å; Y47-P60 HydrophobicContact CE2-CG 4.17Å; Y47-I63 HydrophobicContact CD1-CG1 4.46Å; Y47-I63 HydrophobicContact CD1-CG2 3.83Å; Y47-I63 HydrophobicContact CD2-CG1 4.13Å; Y47-I63 HydrophobicContact CE1-CG2 4.15Å; Y47-I63 HydrophobicContact CG-CD1 4.22Å; Y47-I63 HydrophobicContact CG-CG1 3.9Å; Y47-I63 HydrophobicContact CG-CG2 4.13Å
48S75.6Confident69.5Low63 Ų6375.2 Ų75.244%0.44142%0.417SS..Hα-helixtrans-57.1-41.4176.6-173.20000111.7L44 E45 V51 S52L44-S48 WeakPolarHBondContact O-CB 3.45Å; L44-S48 PolarHBondContact O-N 3.12Å; E45-S48 PolarHBondContact O-N 3.4Å; S48-V51 PolarHBondContact O-N 3.4Å; S48-S52 PolarHBondContact O-N 2.89Å; S48-S52 PolarHBondContact O-OG 2.6Å; S48-S52 VanDerWaalsContact O-OG 3.08Å
49H69Low69.5Low66 Ų6674.1 Ų74.131%0.30641%0.408SS..Hα-helixtrans-66.1-37.9177.7-68155.1000112.9E45 N46 Y47 S52 L53E45-H49 WeakPolarHBondContact CG-CE1 3.27Å; E45-H49 WeakPolarHBondContact O-CB 3.36Å; E45-H49 PolarHBondContact O-N 3.49Å; E45-H49 PolarHBondContact O-ND1 2.74Å; E45-H49 IonicContact OE1-CE1 2.85Å; N46-H49 PolarHBondContact O-N 3.33Å; Y47-H49 VanDerWaalsContact C-N 3.26Å; Y47-H49 PolarHBondContact O-N 3.11Å; H49-S52 PolarHBondContact O-N 3.12Å; H49-L53 VanDerWaalsContact O-CG 3.29Å; H49-L53 WeakPolarHBondContact O-CG 3.26Å; H49-L53 PolarHBondContact O-N 3.07Å
50L68.8Low69.3Low17 Ų1774 Ų749%0.08941%0.409CS..Hα-helixtrans-67.7-38.4175.8-73.5171.9000112.1F16 V19 N46 Y47 L53F16-L50 HydrophobicContact CB-CD1 4.13Å; F16-L50 HydrophobicContact CD2-CD1 3.83Å; F16-L50 HydrophobicContact CG-CD1 4.47Å; V19-L50 HydrophobicContact CG2-CD1 3.54Å; N46-L50 WeakPolarHBondContact O-CG 2.93Å; N46-L50 PolarHBondContact O-N 3.31Å; N46-L50 VanDerWaalsContact O-N 3.08Å; Y47-L50 PolarHBondContact O-N 2.65Å; Y47-L50 VanDerWaalsContact O-N 3.12Å; L50-L53 PolarHBondContact O-N 2.74Å
51V69.7Low69.2Low75 Ų7577.2 Ų77.246%0.45543%0.425SS..Hα-helixtrans-64.9-42.1174.9174.90000111.2Y47 S48 L53 G54Y47-V51 HydrophobicContact CD1-CG2 4.45Å; Y47-V51 HydrophobicContact CD2-CG2 4.25Å; Y47-V51 HydrophobicContact CE1-CG2 4.04Å; Y47-V51 HydrophobicContact CE2-CG2 3.8Å; Y47-V51 WeakPolarHBondContact O-CG2 3.31Å; Y47-V51 PolarHBondContact O-N 3.45Å; S48-V51 PolarHBondContact O-N 3.4Å; V51-L53 PolarHBondContact O-N 2.86Å; V51-G54 PolarHBondContact O-N 3.11Å; V51-G54 VanDerWaalsContact O-N 3.09Å
52S69.8Low69.3Low97 Ų9769 Ų6968%0.67840%0.395SS*.Hα-helixtrans-66.1-19.4177.1-61.50000114.2S48 H49 G54S48-S52 PolarHBondContact O-N 2.89Å; S48-S52 PolarHBondContact O-OG 2.6Å; S48-S52 VanDerWaalsContact O-OG 3.08Å; H49-S52 PolarHBondContact O-N 3.12Å; S52-G54 PolarHBondContact O-N 3.43Å
53L68.1Low69.3Low112 Ų11266.3 Ų66.359%0.58638%0.379SS*.THydrogen-bonded Turntrans-83.95.4174.5-68.7170.5000113.2H49 L50 V51 F55H49-L53 VanDerWaalsContact O-CG 3.29Å; H49-L53 WeakPolarHBondContact O-CG 3.26Å; H49-L53 PolarHBondContact O-N 3.07Å; L50-L53 PolarHBondContact O-N 2.74Å; V51-L53 PolarHBondContact O-N 2.86Å; L53-F55 HydrophobicContact CB-CD2 3.78Å; L53-F55 HydrophobicContact CB-CE2 3.76Å; L53-F55 HydrophobicContact CD1-CE2 4.5Å
54G56.7Low69Low68 Ų6868 Ų6870%0.70139%0.391SS*.THydrogen-bonded Turntrans84.214.4172.800000114.8V51 S52V51-G54 PolarHBondContact O-N 3.11Å; V51-G54 VanDerWaalsContact O-N 3.09Å; S52-G54 PolarHBondContact O-N 3.43Å
55F59.5Low68.7Low79 Ų7966.9 Ų66.935%0.34638%0.384SS..  trans-84.6115.7175.4-62.1-83000110.9L53 F57L53-F55 HydrophobicContact CB-CD2 3.78Å; L53-F55 HydrophobicContact CB-CE2 3.76Å; L53-F55 HydrophobicContact CD1-CE2 4.5Å; F55-F57 HydrophobicContact CB-CD2 3.75Å; F55-F57 HydrophobicContact CB-CE2 3.31Å; F55-F57 HydrophobicContact CB-CZ 4.08Å; F55-F57 HydrophobicContact CD1-CE2 4.21Å; F55-F57 HydrophobicContact CD1-CZ 4.29Å; F55-F57 AromaticContact CG-CE2 3.95Å; F55-F57 HydrophobicContact CG-CE2 3.95Å; F55-F57 HydrophobicContact CG-CZ 4.48Å; F55-F57 PolarHBondContact O-N 2.84Å
56S50.2Low68.4Low121 Ų12163.1 Ų63.185%0.84637%0.367SS*.  trans-86100.6175.247.50000111.1
57F57.5Low68.3Low104 Ų10465.4 Ų65.446%0.45638%0.376SS..  trans-118.2148.6172.9-62.1-68.4000110.7F55 K59F55-F57 HydrophobicContact CB-CD2 3.75Å; F55-F57 HydrophobicContact CB-CE2 3.31Å; F55-F57 HydrophobicContact CB-CZ 4.08Å; F55-F57 HydrophobicContact CD1-CE2 4.21Å; F55-F57 HydrophobicContact CD1-CZ 4.29Å; F55-F57 AromaticContact CG-CE2 3.95Å; F55-F57 HydrophobicContact CG-CE2 3.95Å; F55-F57 HydrophobicContact CG-CZ 4.48Å; F55-F57 PolarHBondContact O-N 2.84Å; F57-K59 PolarHBondContact O-N 3.41Å
58S60.3Low67.7Low112 Ų11272 Ų7278%0.78340%0.401SS*.PPolyproline II helixtrans-58.4131.1160.3530000108.6P60S58-P60 WeakPolarHBondContact O-CD 3.48Å; S58-P60 VanDerWaalsContact O-N 3.12Å
59K70.9Confident66.7Low85 Ų8572 Ų7237%0.3741%0.41SS..PPolyproline II helixtrans-46.8118-178.5-173.1175.1-170.9161.80111.2F57 H61 I63 S64 E67F57-K59 PolarHBondContact O-N 3.41Å; K59-H61 PolarHBondContact O-N 2.92Å; K59-I63 HydrophobicContact CG-CB 4.42Å; K59-I63 HydrophobicContact CG-CG2 4.15Å; K59-S64 WeakPolarHBondContact CD-OG 3.34Å; K59-E67 VanDerWaalsContact CE-OE1 3.22Å; K59-E67 WeakPolarHBondContact CE-OE1 3.23Å; K59-E67 WeakPolarHBondContact CE-OE2 3.41Å; K59-E67 IonicContact NZ-OE1 2.54Å; K59-E67 PolarHBondContact NZ-OE1 3.08Å; K59-E67 IonicContact NZ-OE2 2.74Å; K59-E67 PolarHBondContact NZ-OE2 3.49Å
60P74.8Confident66.1Low17 Ų1772.9 Ų72.911%0.1141%0.414CS..PPolyproline II helixtrans-58.4139.4-175.7-2633.6000111.7F16 Y47 S58 L62 I63 S64F16-P60 HydrophobicContact CB-CG 3.95Å; F16-P60 HydrophobicContact CD1-CB 3.51Å; F16-P60 HydrophobicContact CD1-CG 3.56Å; F16-P60 HydrophobicContact CD2-CG 4.19Å; F16-P60 HydrophobicContact CE1-CB 3.8Å; F16-P60 HydrophobicContact CE1-CG 4.13Å; F16-P60 HydrophobicContact CG-CB 4.12Å; F16-P60 HydrophobicContact CG-CG 3.61Å; Y47-P60 HydrophobicContact CD2-CG 4.18Å; Y47-P60 HydrophobicContact CE2-CG 4.17Å; S58-P60 WeakPolarHBondContact O-CD 3.48Å; S58-P60 VanDerWaalsContact O-N 3.12Å; P60-L62 PolarHBondContact O-N 3.24Å; P60-L62 VanDerWaalsContact O-N 3.11Å; P60-I63 HydrophobicContact CB-CG1 4.23Å; P60-I63 HydrophobicContact CG-CG1 4.38Å; P60-I63 WeakPolarHBondContact O-CB 3.41Å; P60-I63 PolarHBondContact O-N 3.08Å; P60-S64 PolarHBondContact O-N 3.41Å
61H69.6Low65.4Low140 Ų14072.7 Ų72.765%0.64842%0.416SS*.Hα-helixtrans-53-38.2-177.5-172.768.6000112.5K59 I63 S64 Q65K59-H61 PolarHBondContact O-N 2.92Å; H61-I63 VanDerWaalsContact C-N 3.33Å; H61-I63 PolarHBondContact O-N 3.14Å; H61-S64 PolarHBondContact O-N 3.31Å; H61-Q65 PolarHBondContact CD2-NE2 3.16Å; H61-Q65 VanDerWaalsContact CD2-NE2 3.28Å; H61-Q65 PolarHBondContact NE2-NE2 3.4Å; H61-Q65 WeakPolarHBondContact O-CG 3.21Å; H61-Q65 PolarHBondContact O-N 3.04Å
62L72.1Confident64.4Low8 Ų869.4 Ų69.44%0.04240%0.396CS..Hα-helixtrans-59-39.8175.6-172.870.6000113.1F16 Y22 P60 L66 P72F16-L62 HydrophobicContact CE1-CB 4.2Å; F16-L62 HydrophobicContact CE1-CD2 3.85Å; F16-L62 HydrophobicContact CZ-CD2 4.24Å; Y22-L62 HydrophobicContact CD1-CD1 4.33Å; Y22-L62 HydrophobicContact CD1-CD2 4.48Å; Y22-L62 HydrophobicContact CE1-CD1 4.24Å; Y22-L62 HydrophobicContact CE1-CD2 4.01Å; P60-L62 PolarHBondContact O-N 3.24Å; P60-L62 VanDerWaalsContact O-N 3.11Å; L62-L66 HydrophobicContact CG-CD1 4.31Å; L62-L66 WeakPolarHBondContact O-CB 3.41Å; L62-L66 VanDerWaalsContact O-CG 3.23Å; L62-L66 WeakPolarHBondContact O-CG 3.34Å; L62-L66 PolarHBondContact O-N 3.15Å; L62-L66 VanDerWaalsContact O-N 3.09Å; L62-P72 HydrophobicContact CD1-CB 3.21Å; L62-P72 HydrophobicContact CD1-CG 4.29Å
63I76.1Confident63.7Low0 Ų069.7 Ų69.70%038%0.383CS..Hα-helixtrans-72.1-42.2179.5-65.4-61.2000110.4F16 M43 L44 Y47 K59 P60 H61 Q65 L66 E67F16-I63 HydrophobicContact CE1-CD1 4.34Å; F16-I63 HydrophobicContact CE1-CG1 4Å; F16-I63 HydrophobicContact CE2-CD1 3.8Å; F16-I63 HydrophobicContact CE2-CG1 3.88Å; F16-I63 HydrophobicContact CZ-CD1 3.41Å; F16-I63 VanDerWaalsContact CZ-CD1 3.41Å; F16-I63 HydrophobicContact CZ-CG1 3.47Å; F16-I63 VanDerWaalsContact CZ-CG1 3.47Å; M43-I63 HydrophobicContact CB-CD1 4.27Å; M43-I63 WeakPolarHBondContact O-CD1 3.45Å; L44-I63 HydrophobicContact CD2-CD1 4.29Å; L44-I63 HydrophobicContact CD2-CG2 3.95Å; Y47-I63 HydrophobicContact CD1-CG1 4.46Å; Y47-I63 HydrophobicContact CD1-CG2 3.83Å; Y47-I63 HydrophobicContact CD2-CG1 4.13Å; Y47-I63 HydrophobicContact CE1-CG2 4.15Å; Y47-I63 HydrophobicContact CG-CD1 4.22Å; Y47-I63 HydrophobicContact CG-CG1 3.9Å; Y47-I63 HydrophobicContact CG-CG2 4.13Å; K59-I63 HydrophobicContact CG-CB 4.42Å; K59-I63 HydrophobicContact CG-CG2 4.15Å; P60-I63 HydrophobicContact CB-CG1 4.23Å; P60-I63 HydrophobicContact CG-CG1 4.38Å; P60-I63 WeakPolarHBondContact O-CB 3.41Å; P60-I63 PolarHBondContact O-N 3.08Å; H61-I63 VanDerWaalsContact C-N 3.33Å; H61-I63 PolarHBondContact O-N 3.14Å; I63-Q65 VanDerWaalsContact C-N 3.33Å; I63-Q65 PolarHBondContact O-N 3.29Å; I63-L66 PolarHBondContact O-N 3.46Å; I63-E67 WeakPolarHBondContact O-CG 3.34Å; I63-E67 PolarHBondContact O-N 3.21Å
64S74.8Confident62.6Low40 Ų4069 Ų6928%0.2838%0.383SS..Hα-helixtrans-60.9-39.6175.2-61.10000112.5K59 P60 H61 R68K59-S64 WeakPolarHBondContact CD-OG 3.34Å; P60-S64 PolarHBondContact O-N 3.41Å; H61-S64 PolarHBondContact O-N 3.31Å; S64-R68 WeakPolarHBondContact O-CG 3.49Å; S64-R68 PolarHBondContact O-N 3.08Å
65Q69.9Low61.6Low25 Ų2570 Ų7012%0.11738%0.384CS..Hα-helixtrans-65.9-45.7174.7-73.6177.5-18.600112.3H61 I63 E67 R68 G69 E70H61-Q65 PolarHBondContact CD2-NE2 3.16Å; H61-Q65 VanDerWaalsContact CD2-NE2 3.28Å; H61-Q65 PolarHBondContact NE2-NE2 3.4Å; H61-Q65 WeakPolarHBondContact O-CG 3.21Å; H61-Q65 PolarHBondContact O-N 3.04Å; I63-Q65 VanDerWaalsContact C-N 3.33Å; I63-Q65 PolarHBondContact O-N 3.29Å; Q65-E67 PolarHBondContact O-N 3.1Å; Q65-R68 PolarHBondContact O-N 3Å; Q65-G69 PolarHBondContact O-N 2.87Å; Q65-E70 PolarHBondContact O-N 3.21Å
66L71.6Confident60.4Low4 Ų472.2 Ų72.22%0.02140%0.4CS..Hα-helixtrans-65.3-37.8-178.2-75.2173.2000112.6W28 Y39 K40 M43 L62 I63 G69W28-L66 HydrophobicContact CH2-CD2 4.39Å; Y39-L66 HydrophobicContact CD1-CD1 4.5Å; Y39-L66 HydrophobicContact CD1-CD2 4.2Å; Y39-L66 HydrophobicContact CE1-CD1 3.97Å; Y39-L66 HydrophobicContact CE1-CD2 4.02Å; K40-L66 HydrophobicContact CB-CD2 4.32Å; K40-L66 WeakPolarHBondContact CD-O 3.35Å; K40-L66 WeakPolarHBondContact CE-O 3.29Å; K40-L66 HydrophobicContact CG-CB 4.38Å; K40-L66 PolarHBondContact NZ-O 3.07Å; M43-L66 HydrophobicContact CB-CD1 3.7Å; M43-L66 HydrophobicContact CG-CD1 4.13Å; L62-L66 HydrophobicContact CG-CD1 4.31Å; L62-L66 WeakPolarHBondContact O-CB 3.41Å; L62-L66 VanDerWaalsContact O-CG 3.23Å; L62-L66 WeakPolarHBondContact O-CG 3.34Å; L62-L66 PolarHBondContact O-N 3.15Å; L62-L66 VanDerWaalsContact O-N 3.09Å; I63-L66 PolarHBondContact O-N 3.46Å; L66-G69 PolarHBondContact O-N 3.14Å
67E72.4Confident59.7Low93 Ų9373.6 Ų73.644%0.43540%0.396SS..Hα-helixtrans-64.4-41.2175.2-74.6-179.7-171.900112.4L44 K59 I63 Q65 G69L44-E67 HydrophobicContact CD2-CG 3.77Å; K59-E67 VanDerWaalsContact CE-OE1 3.22Å; K59-E67 WeakPolarHBondContact CE-OE1 3.23Å; K59-E67 WeakPolarHBondContact CE-OE2 3.41Å; K59-E67 IonicContact NZ-OE1 2.54Å; K59-E67 PolarHBondContact NZ-OE1 3.08Å; K59-E67 IonicContact NZ-OE2 2.74Å; K59-E67 PolarHBondContact NZ-OE2 3.49Å; I63-E67 WeakPolarHBondContact O-CG 3.34Å; I63-E67 PolarHBondContact O-N 3.21Å; Q65-E67 PolarHBondContact O-N 3.1Å; E67-G69 PolarHBondContact O-N 3.39Å
68R64.6Low58.4Low187 Ų18773.7 Ų73.771%0.70641%0.407SS*.THydrogen-bonded Turntrans-69.1-6.1175.6-71171.856.5153.4-1.3114.3S64 Q65 E70S64-R68 WeakPolarHBondContact O-CG 3.49Å; S64-R68 PolarHBondContact O-N 3.08Å; Q65-R68 PolarHBondContact O-N 3Å; R68-E70 VanDerWaalsContact C-N 3.28Å; R68-E70 HydrophobicContact CB-CG 4.32Å; R68-E70 IonicContact CZ-OE1 3.27Å; R68-E70 VanDerWaalsContact CZ-OE1 3.27Å; R68-E70 IonicContact NE-OE1 3.01Å; R68-E70 PolarHBondContact NE-OE1 3.43Å; R68-E70 IonicContact NH2-OE1 2.78Å; R68-E70 PolarHBondContact NH2-OE1 2.82Å
69G53.7Low57.1Low61 Ų6180.3 Ų80.363%0.62942%0.415SS*.THydrogen-bonded Turntrans79.311.3-178.700000113.8Q65 L66 E67Q65-G69 PolarHBondContact O-N 2.87Å; L66-G69 PolarHBondContact O-N 3.14Å; E67-G69 PolarHBondContact O-N 3.39Å
70E58.3Low55.2Low86 Ų8681.5 Ų81.540%0.40243%0.429SS..  trans-85.7145.8177.5-64.9172.1-15600110.3Q65 R68Q65-E70 PolarHBondContact O-N 3.21Å; R68-E70 VanDerWaalsContact C-N 3.28Å; R68-E70 HydrophobicContact CB-CG 4.32Å; R68-E70 IonicContact CZ-OE1 3.27Å; R68-E70 VanDerWaalsContact CZ-OE1 3.27Å; R68-E70 IonicContact NE-OE1 3.01Å; R68-E70 PolarHBondContact NE-OE1 3.43Å; R68-E70 IonicContact NH2-OE1 2.78Å; R68-E70 PolarHBondContact NH2-OE1 2.82Å
71G54Low52.8Low13 Ų1392.9 Ų92.913%0.13447%0.471CS..  trans-72144.9175.900000111.5W73G71-W73 PolarHBondContact O-N 3.33Å; G71-W73 VanDerWaalsContact O-N 3.16Å; G71-W73 PolarHBondContact O-NE1 3.14Å
72P47.7Very low50.8Low5 Ų592.7 Ų92.73%0.03248%0.479CS..  trans-81.298.9-176.534.2-31.9000109.7W28 Y39 L62W28-P72 HydrophobicContact CD2-CG 4.15Å; W28-P72 VanDerWaalsContact CE2-CD 3.45Å; W28-P72 HydrophobicContact CE3-CG 3.74Å; W28-P72 HydrophobicContact CH2-CG 4.03Å; W28-P72 VanDerWaalsContact CZ2-CD 3.48Å; W28-P72 HydrophobicContact CZ2-CG 4.4Å; W28-P72 HydrophobicContact CZ3-CG 3.69Å; Y39-P72 HydrophobicContact CE1-CG 4.04Å; L62-P72 HydrophobicContact CD1-CB 3.21Å; L62-P72 HydrophobicContact CD1-CG 4.29Å
73W55.5Low48.7Very low103 Ų10399.1 Ų99.139%0.3952%0.519SS..  trans-110134.9176.5-35.3100.6000110.3K25 W28 K29 G71K25-W73 VanDerWaalsContact CA-CE3 3.47Å; K25-W73 VanDerWaalsContact CA-CZ3 3.43Å; K25-W73 HydrophobicContact CB-CE3 3.69Å; K25-W73 HydrophobicContact CB-CZ3 3.85Å; K25-W73 HydrophobicContact CD-CE3 4.47Å; K25-W73 HydrophobicContact CG-CD2 4.38Å; K25-W73 HydrophobicContact CG-CE3 3.58Å; K25-W73 HydrophobicContact CG-CH2 4.15Å; K25-W73 HydrophobicContact CG-CZ3 3.46Å; K25-W73 VanDerWaalsContact CG-CZ3 3.46Å; K25-W73 WeakPolarHBondContact O-CZ3 3.38Å; W28-W73 HydrophobicContact CB-CE3 4.36Å; W28-W73 HydrophobicContact CB-CH2 4.3Å; W28-W73 HydrophobicContact CB-CZ3 3.69Å; W28-W73 AromaticContact CD1-CH2 3.42Å; W28-W73 VanDerWaalsContact CD1-CH2 3.42Å; W28-W73 AromaticContact CD1-CZ2 3.97Å; W28-W73 AromaticContact CD1-CZ3 3.67Å; W28-W73 HydrophobicContact CG-CH2 4.17Å; W28-W73 AromaticContact CG-CZ3 3.97Å; W28-W73 HydrophobicContact CG-CZ3 3.97Å; K29-W73 HydrophobicContact CG-CH2 4.38Å; G71-W73 PolarHBondContact O-N 3.33Å; G71-W73 VanDerWaalsContact O-N 3.16Å; G71-W73 PolarHBondContact O-NE1 3.14Å
74V44.5Very low46.4Very low99 Ų99104 Ų10460%0.656%0.559SS**  trans-111.8139.2157.2-178.10000106.2
75A36Very low44Very low87 Ų87105.4 Ų105.472%0.71958%0.58SS**  trans-62139.2177.900000110.5I77A75-I77 PolarHBondContact O-N 3.42Å; A75-I77 VanDerWaalsContact O-N 3.14Å
76D35.1Very low41.8Very low127 Ų127111.4 Ų111.468%0.67961%0.612SS**  trans-58.5116179.5-66.7-48.4000109.7P78D76-P78 WeakPolarHBondContact O-CD 3.21Å
77I33.9Very low39.6Very low149 Ų149118.1 Ų118.176%0.76464%0.643SS**  trans-84.9115.5167.7-57.2175.7000106.9A75 R79A75-I77 PolarHBondContact O-N 3.42Å; A75-I77 VanDerWaalsContact O-N 3.14Å; I77-R79 PolarHBondContact O-N 2.9Å
78P30.1Very low37.3Very low106 Ų106121.5 Ų121.569%0.68866%0.663SS**  trans-64.2135.9176.8-20.734000111.2D76 T80D76-P78 WeakPolarHBondContact O-CD 3.21Å; P78-T80 VanDerWaalsContact C-N 3.29Å; P78-T80 PolarHBondContact O-N 3.48Å
79R34.6Very low35.3Very low251 Ų251115.9 Ų115.995%0.94766%0.662SS**  trans-71.981.1173-70.5-178-178.1-160.3-0.4110.5I77I77-R79 PolarHBondContact O-N 2.9Å
80T31.1Very low33.8Very low110 Ų110120.6 Ų120.668%0.67567%0.673SS**  trans-142.410615653.80000107P78P78-T80 VanDerWaalsContact C-N 3.29Å; P78-T80 PolarHBondContact O-N 3.48Å
81W24.2Very low32.2Very low257 Ų257128 Ų12897%0.97370%0.698SS**  trans166.987.1145-83.817.7000107.7
82T26.7Very low30.8Very low136 Ų136132.4 Ų132.483%0.83472%0.722SS**  trans-96.9129.7149.328.50000107.4
83T28.6Very low29.8Very low143 Ų143140.4 Ų140.488%0.87776%0.759SS**  trans9587.3155.5-40.60000118.8
84A26.6Very low28.3Very low102 Ų102139.8 Ų139.884%0.84377%0.77SS**  trans-177.5123135.300000105.3
85G24.7Very low27.5Very low69 Ų69144 Ų14471%0.71178%0.781SS**  cis104.196.149.700000109.3
86L25.1Very low26.8Very low151 Ų151145.7 Ų145.779%0.79178%0.782SS**  trans80.4137.6145.6-77.9157.7000123.5
87H23.9Very low26.3Very low146 Ų146145.5 Ų145.568%0.67679%0.791SS**  trans78113.7154.3-64.4112.5000120.5
88I24.3Very low25.8Very low164 Ų164144.6 Ų144.684%0.84179%0.792SS**  64.9124.389.7-62-175.3000113.4
89G22.8Very low25.5Very low68 Ų68145.1 Ų145.170%0.70180%0.798SS**  trans141120.5147.800000116.4
90D22.7Very low25Very low160 Ų160140.6 Ų140.686%0.85679%0.79SS**  trans-26.8143162.9-76.2-58.6000117.2
91R25.1Very low24.9Very low243 Ų243144.9 Ų144.992%0.91780%0.802SS**  -164.3141.9112.4-128.5172.1-174.2161.51.5115.1
92T23.2Very low24.9Very low105 Ų105141.5 Ų141.564%0.64479%0.794SS**  trans-66.7153176.623.90000116.1
93Q26.7Very low24.9Very low173 Ų173143.4 Ų143.481%0.80879%0.793SS**  trans78.8147.9137.2-75.7-179.122.400122.6
94S25.1Very low24.7Very low90 Ų90141.8 Ų141.863%0.62979%0.788SS**  trans87.8132.2150.4-69.90000116.2
95K27.1Very low24.5Very low188 Ų188140.4 Ų140.482%0.81778%0.784SS**  cis-161.5155.115.4-104.3151.2-168.8-177.30110.5
96T22Very low24.5Very low122 Ų122149.3 Ų149.375%0.74880%0.796SS**  trans-42.6151.4159.247.40000115.5
97S24.7Very low24.5Very low123 Ų123151.4 Ų151.486%0.8680%0.802SS**  -164.3123.7125.2-102.50000113
98T23Very low24.6Very low130 Ų130152.3 Ų152.380%0.79881%0.811SS**  trans-72144.6166.7-50.60000110.3
99S22.8Very low24.8Very low117 Ų117150.6 Ų150.682%0.81881%0.81SS**  trans-164.2139.5135.6-162.30000112.6
100M25.4Very low24.8Very low155 Ų155150.5 Ų150.576%0.76481%0.809SS**  trans-81.3156.6178.3-61.5-114.787.200111.3
101Q27.6Very low25Very low200 Ų200149.9 Ų149.994%0.93581%0.811SS**  -178.9143.3111.3-99.7167.6-33.300113.3
102K25.3Very low24.9Very low186 Ų186145.4 Ų145.481%0.80981%0.805SS**  trans-70.4161.1176.1-71.4167.5170.2173.30111.6
103H25.9Very low25.1Very low176 Ų176145 Ų14582%0.81581%0.807SS**  -172.8136.6110.7-104.5-78.8000113.2
104S25.2Very low25Very low109 Ų109145.6 Ų145.676%0.76281%0.81SS**  trans45.1128.914955.40000120
105G22.8Very low24.8Very low74 Ų74145.3 Ų145.376%0.76382%0.821SS**  cis106.2102.131.100000110.2
106R24.6Very low24.7Very low256 Ų256140.3 Ų140.397%0.96682%0.823SS**  trans-164142.5147.3-117.7175.1-169.9-119.81.5112.1
107Q24.3Very low25Very low195 Ų195143.9 Ų143.991%0.91183%0.828SS**  trans-81.4164.6-167.7-76.4162.4-5.500114.2
108L25.5Very low25.1Very low165 Ų165145.7 Ų145.786%0.86483%0.828SS**  trans-56.1173.3171.8-60161.7000113.6
109P29.4Very low25.3Very low128 Ų128142.7 Ų142.783%0.83182%0.823SS**  -139.2156.992.735-20000114.2
110G23.6Very low25.5Very low66 Ų66146.5 Ų146.568%0.6883%0.828SS**  trans-97.9168.2168.700000112.3
111V25.8Very low25.6Very low147 Ų147143.9 Ų143.989%0.89183%0.83SS**  trans-155.5163.8155.7-68.90000110.3
112D24Very low25.6Very low148 Ų148139 Ų13979%0.79182%0.824SS**  trans-91.4163.7-148.8-60.5-68000119
113S25.5Very low25.6Very low98 Ų98141.7 Ų141.769%0.68583%0.829SS**  trans64.5143.7132.7-68.20000125.9
114Q24.6Very low25.6Very low185 Ų185138.9 Ų138.986%0.86483%0.829SS**  trans89.7110.7148.5-89.5135-23.600121.8
115G22.8Very low25.7Very low84 Ų84139.1 Ų139.187%0.86683%0.831SS**  79.4117.2109.300000119.2
116G24.4Very low26Very low83 Ų83141.7 Ų141.786%0.85683%0.832SS**  trans173.4119.8163.300000113.5
117K28.2Very low26.2Very low196 Ų196137.6 Ų137.685%0.85283%0.828SS**  trans-77.4159.6173.7-66.4171.1176.4174.50110.2
118D27.2Very low26.4Very low162 Ų162137 Ų13787%0.86683%0.826SS**  trans156.8123.9143.2-73.8-20000106.8
119G26.5Very low26.6Very low67 Ų67140.9 Ų140.969%0.69183%0.829SS**  cis91.769.938.700000109.2
120Q27.7Very low26.5Very low197 Ų197138.1 Ų138.192%0.92182%0.824SS**  trans-156.9121.8160.3-113.3162.38100113.8
121A26.8Very low26.9Very low99 Ų99140.7 Ų140.782%0.81883%0.831SS**  trans-72.9136.117100000110.5
122A26.6Very low27.1Very low97 Ų97143.1 Ų143.180%0.80283%0.833SS**  trans-120.4103.3165.200000109.4
123R26.3Very low27.4Very low243 Ų243139.4 Ų139.492%0.91783%0.83SS**  trans-56.5128.2168.5-67.3167.8157.6-176-7109.3
124S26.7Very low27.5Very low117 Ų117143.4 Ų143.482%0.81884%0.842SS**  trans-106.9107.5165.5-78.60000109.6
125S27.1Very low27.6Very low115 Ų115137.9 Ų137.980%0.80484%0.836SS**  trans-64.1125174.7-55.60000110.9
126V28.8Very low28.5Very low127 Ų127140 Ų14077%0.7783%0.834SS**  trans-84.1111.21731740000108Q128V126-Q128 PolarHBondContact O-N 2.86Å
127L28.8Very low28.6Very low171 Ų171142.1 Ų142.190%0.89584%0.835SS**  trans-84103.3163.9-75.9172.7000108.8
128Q29Very low28.8Very low183 Ų183138.9 Ų138.986%0.85584%0.838SS**  trans-59.4129.4159.8-94.6157.2-44.900109.3V126V126-Q128 PolarHBondContact O-N 2.86Å
129R28.5Very low28.9Very low245 Ų245136 Ų13693%0.92584%0.837SS**  trans-121.5108.4160.4-158.4173.7-77.2-124.41.8108.4
130G28.1Very low29.3Very low71 Ų71138.3 Ų138.373%0.73285%0.849SS**  trans-69.4147.317600000111.8
131S30.8Very low29.4Very low120 Ų120131.6 Ų131.684%0.83983%0.832SS**  trans-83.8119.2171.242.60000110.2
132Q30.5Very low29.9Very low197 Ų197133.4 Ų133.492%0.92184%0.836SS**  trans-134.9130155.7-70.4-171.4-500108.2
133G30.1Very low30.3Very low71 Ų71136 Ų13673%0.73283%0.832SS**  trans-93.1146.4174.900000111
134L28.5Very low30.8Very low181 Ų181127 Ų12795%0.94881%0.814SS**  trans-145.1141.2152.9-74.5-179.9000108.2
135G26.7Very low31.5Very low70 Ų70128 Ų12872%0.72282%0.818SS**  trans-75.7-162.917900000114.2
136P41.1Very low32.1Very low129 Ų129130.4 Ų130.484%0.83881%0.814SS**  -99.9148.5-128.336.7-33.7000113.9
137S27Very low32.6Very low126 Ų126127.7 Ų127.788%0.88181%0.811SS**  trans-140120.4160.2-82.30000110.7
138S31.2Very low33.5Very low129 Ų129124.3 Ų124.390%0.90281%0.808SS**  trans-62132.7167.3-70.40000111.1
139A29.8Very low35Very low102 Ų102121.6 Ų121.684%0.84380%0.796SS**  trans-150.7106.1148.300000107.9
140A35.4Very low36.5Very low114 Ų114117.7 Ų117.794%0.94279%0.785SS**  trans-70133.9171.300000109.7
141G30Very low39Very low56 Ų56122.5 Ų122.558%0.57778%0.781SS**  trans-146.4140.4167.100000108.6Q143G141-Q143 PolarHBondContact O-N 2.96Å
142P37.2Very low41.4Very low138 Ų138120.7 Ų120.790%0.89676%0.757SS**  trans-75.6115.5-154.329.2-32.9000111.4G144P142-G144 PolarHBondContact O-N 3.13Å
143Q35.2Very low44Very low151 Ų151115.8 Ų115.871%0.70674%0.736SS**  trans-77.3112165.1-69.1178.257.100107.7G141G141-Q143 PolarHBondContact O-N 2.96Å
144G36.9Very low46.7Very low54 Ų54112.6 Ų112.656%0.55770%0.703SS**  trans-53.9164.8168.400000112.3P142 K146P142-G144 PolarHBondContact O-N 3.13Å; G144-K146 PolarHBondContact O-N 3.49Å
145P40.2Very low49.3Very low138 Ų138112.6 Ų112.690%0.89670%0.698SS**  trans-67.4102.7-16428.4-32.9000110G147P145-G147 PolarHBondContact O-N 3.26Å
146K39.4Very low52Low166 Ų166115.9 Ų115.972%0.72270%0.695SS**  trans-62.2107.5163.9-76.7174.7174.5163.70106.6G144 A148G144-K146 PolarHBondContact O-N 3.49Å; K146-A148 PolarHBondContact O-N 3Å
147G40.9Very low54.2Low69 Ų69112.3 Ų112.371%0.71167%0.672SS**  trans-45.6131.3173.800000110.1P145 E149P145-G147 PolarHBondContact O-N 3.26Å; G147-E149 PolarHBondContact O-N 3.45Å
148A47.3Very low56.8Low101 Ų101109.1 Ų109.184%0.83566%0.659SS**  trans-51.3103.9-172.900000111.3K146 K150K146-A148 PolarHBondContact O-N 3Å; A148-K150 PolarHBondContact O-N 3.35Å
149E60.5Low59.3Low126 Ų126108.8 Ų108.859%0.58964%0.641SS**  trans-65.2100.7169.4-171.2-174.6-168.700106.6G147 R151G147-E149 PolarHBondContact O-N 3.45Å; E149-R151 PolarHBondContact O-N 3.23Å
150K60.1Low62Low162 Ų162106.5 Ų106.570%0.70462%0.623SS**  trans-64.799.2-175.7-160.6171.4-172.6173.70109.2A148 Y152A148-K150 PolarHBondContact O-N 3.35Å; K150-Y152 WeakPolarHBondContact O-CD2 3.31Å; K150-Y152 WeakPolarHBondContact O-CE2 2.85Å
151R79.6Confident64.3Low172 Ų172103.2 Ų103.265%0.64959%0.587SS**  trans-80.9128.3177.6-69.1177.7-178.9-177.90.6109.7E149 A160E149-R151 PolarHBondContact O-N 3.23Å; R151-A160 HydrophobicContact CB-CB 4.46Å
152Y81.7Confident66.9Low82 Ų82103.9 Ų103.932%0.32258%0.583SS.*EExtended strand (participates in β ladder)trans-92.2113.6177.2-61-88.1000108.9K150 A160 F161 S164K150-Y152 WeakPolarHBondContact O-CD2 3.31Å; K150-Y152 WeakPolarHBondContact O-CE2 2.85Å; Y152-A160 CarbonylContact O-C 3.54Å; Y152-F161 PolarHBondContact N-O 3.42Å; Y152-F161 PolarHBondContact O-N 3.39Å; Y152-S164 VanDerWaalsContact CE1-CB 3.48Å; Y152-S164 VanDerWaalsContact CE2-N 3.26Å
153L84.9Confident69Low94 Ų94102.1 Ų102.149%0.49256%0.558SS.*EExtended strand (participates in β ladder)trans-95137-175-63.5170.1000111.7A160 L167L153-A160 HydrophobicContact CD2-CB 3.59Å; L153-L167 WeakPolarHBondContact O-CD2 3.44Å
154C86.6Confident71Confident4 Ų497.5 Ų97.53%0.02754%0.543CS..  trans-82.7112.7167-175.90000109.8Q156 C157 G158 K159 F161 L167 H170 H174C154-Q156 PolarHBondContact O-N 2.93Å; C154-C157 PolarHBondContact O-N 3.38Å; C154-G158 VanDerWaalsContact O-CA 3.25Å; C154-G158 WeakPolarHBondContact O-CA 3.24Å; C154-G158 PolarHBondContact O-N 2.91Å; C154-K159 HydrophobicContact CB-CB 4.46Å; C154-K159 PolarHBondContact N-O 2.81Å; C154-F161 HydrophobicContact CB-CE2 4.22Å; C154-L167 HydrophobicContact CB-CD1 3.59Å; C154-H170 VanDerWaalsContact SG-CD2 3.5Å; C154-H170 PolarHBondContact SG-NE2 3.47Å; C154-H174 PolarHBondContact SG-NE2 2.83Å
155Q83.6Confident73Confident182 Ų18297.3 Ų97.385%0.8553%0.533SS*.THydrogen-bonded Turntrans-65-20.7-178.8-59.8-63.10.100113.6
156Q83.3Confident74.9Confident139 Ų13993.8 Ų93.865%0.6551%0.506SS*.THydrogen-bonded Turntrans-89.8-21.2-176.7-165.8167.9-3.700114.1C154 H174C154-Q156 PolarHBondContact O-N 2.93Å; Q156-H174 VanDerWaalsContact OE1-CG 3.31Å
157C86.4Confident76.9Confident53 Ų5387 Ų8736%0.35848%0.478SS..THydrogen-bonded Turntrans-1409.9178.169.70000114.8C154 K159 H170 H174C154-C157 PolarHBondContact O-N 3.38Å; C157-K159 PolarHBondContact O-N 3.2Å; C157-H170 VanDerWaalsContact SG-CE1 3.56Å; C157-H170 PolarHBondContact SG-NE2 3.29Å; C157-H174 PolarHBondContact SG-NE2 3.43Å
158G82.8Confident78.7Confident59 Ų5988.7 Ų88.761%0.60847%0.47SS*.  trans68.61.2177.400000115.6C154 A160C154-G158 VanDerWaalsContact O-CA 3.25Å; C154-G158 WeakPolarHBondContact O-CA 3.24Å; C154-G158 PolarHBondContact O-N 2.91Å; G158-A160 PolarHBondContact O-N 3.43Å
159K83.2Confident80.1Confident122 Ų12289.1 Ų89.153%0.5345%0.453SS..  trans-69130.3-176.3-71.8-178.6-176.5-179.60111.8C154 C157 F161C154-K159 HydrophobicContact CB-CB 4.46Å; C154-K159 PolarHBondContact N-O 2.81Å; C157-K159 PolarHBondContact O-N 3.2Å; K159-F161 HydrophobicContact CB-CE2 3.77Å; K159-F161 HydrophobicContact CB-CZ 3.93Å; K159-F161 WeakPolarHBondContact O-CD2 3.49Å; K159-F161 WeakPolarHBondContact O-CE2 3.41Å
160A86.3Confident81.1Confident55 Ų5583.9 Ų83.946%0.45543%0.428SS..EExtended strand (participates in β ladder)trans-92.5138.6175.900000111.8R151 Y152 L153 G158R151-A160 HydrophobicContact CB-CB 4.46Å; Y152-A160 CarbonylContact O-C 3.54Å; L153-A160 HydrophobicContact CD2-CB 3.59Å; G158-A160 PolarHBondContact O-N 3.43Å
161F84.8Confident81.9Confident44 Ų4483.8 Ų83.819%0.19342%0.423CS..EExtended strand (participates in β ladder)trans-124.8140.1176.1-60-87.6000109.5Y152 C154 K159 R163 N166 L167 H170Y152-F161 PolarHBondContact N-O 3.42Å; Y152-F161 PolarHBondContact O-N 3.39Å; C154-F161 HydrophobicContact CB-CE2 4.22Å; K159-F161 HydrophobicContact CB-CE2 3.77Å; K159-F161 HydrophobicContact CB-CZ 3.93Å; K159-F161 WeakPolarHBondContact O-CD2 3.49Å; K159-F161 WeakPolarHBondContact O-CE2 3.41Å; F161-R163 PolarHBondContact O-N 2.92Å; F161-N166 HydrophobicContact CB-CB 4.22Å; F161-N166 HydrophobicContact CD1-CB 3.93Å; F161-N166 HydrophobicContact CG-CB 4.34Å; F161-L167 HydrophobicContact CB-CB 4.29Å; F161-L167 HydrophobicContact CD2-CB 3.88Å; F161-L167 HydrophobicContact CD2-CD1 3.72Å; F161-L167 HydrophobicContact CD2-CG 4.39Å; F161-L167 HydrophobicContact CE2-CD1 3.86Å; F161-L167 HydrophobicContact CG-CB 4.23Å; F161-H170 HydrophobicContact CE1-CB 3.92Å; F161-H170 HydrophobicContact CE2-CB 3.89Å; F161-H170 AromaticContact CE2-CD2 3.42Å; F161-H170 VanDerWaalsContact CE2-CD2 3.42Å; F161-H170 WeakPolarHBondContact CE2-CD2 3.48Å; F161-H170 AromaticContact CE2-CG 3.6Å; F161-H170 HydrophobicContact CZ-CB 3.44Å; F161-H170 VanDerWaalsContact CZ-CB 3.44Å; F161-H170 AromaticContact CZ-CD2 3.49Å; F161-H170 VanDerWaalsContact CZ-CD2 3.49Å; F161-H170 WeakPolarHBondContact CZ-CD2 3.28Å; F161-H170 AromaticContact CZ-CG 3.18Å; F161-H170 AromaticContact CZ-ND1 3.57Å
162S83.5Confident81.9Confident70 Ų7077.3 Ų77.349%0.4940%0.401SS..SBendtrans-72-12.8175.152.90000113.4
163R81.6Confident81.7Confident102 Ų10276.8 Ų76.839%0.38540%0.403SS..SBendtrans-138139.7-178.1-57.9179.3109.4144.73.5111.4F161 S165 N166 L167F161-R163 PolarHBondContact O-N 2.92Å; R163-S165 VanDerWaalsContact C-N 3.32Å; R163-S165 PolarHBondContact O-N 3.48Å; R163-N166 WeakPolarHBondContact O-CB 3.44Å; R163-N166 PolarHBondContact O-N 3.28Å; R163-N166 VanDerWaalsContact O-N 3.17Å; R163-L167 PolarHBondContact O-N 3.05Å
164S78.1Confident81.4Confident53 Ų5375.1 Ų75.137%0.37139%0.393SS..Hα-helixtrans-59.5-40.9177.755.30000112.2Y152 N166 L167 I168Y152-S164 VanDerWaalsContact CE1-CB 3.48Å; Y152-S164 VanDerWaalsContact CE2-N 3.26Å; S164-N166 PolarHBondContact O-N 2.96Å; S164-L167 WeakPolarHBondContact O-CB 3.25Å; S164-L167 PolarHBondContact O-N 3Å; S164-L167 VanDerWaalsContact O-N 3.08Å; S164-I168 WeakPolarHBondContact O-CG1 3.13Å; S164-I168 PolarHBondContact O-N 3.29Å
165S78.8Confident80.9Confident51 Ų5177.9 Ų77.936%0.35741%0.412SS..Hα-helixtrans-60.7-32.3178.260.30000112.9R163 K169R163-S165 VanDerWaalsContact C-N 3.32Å; R163-S165 PolarHBondContact O-N 3.48Å; S165-K169 VanDerWaalsContact O-CG 3.24Å; S165-K169 WeakPolarHBondContact O-CG 3.18Å; S165-K169 PolarHBondContact O-N 3.4Å
166N80.3Confident80.5Confident63 Ų6371 Ų7134%0.33739%0.39SS..Hα-helixtrans-74.4-38.1174.8-70.9-21.5000111.7F161 R163 S164 K169 H170F161-N166 HydrophobicContact CB-CB 4.22Å; F161-N166 HydrophobicContact CD1-CB 3.93Å; F161-N166 HydrophobicContact CG-CB 4.34Å; R163-N166 WeakPolarHBondContact O-CB 3.44Å; R163-N166 PolarHBondContact O-N 3.28Å; R163-N166 VanDerWaalsContact O-N 3.17Å; S164-N166 PolarHBondContact O-N 2.96Å; N166-K169 PolarHBondContact O-N 3.11Å; N166-H170 VanDerWaalsContact O-CB 3.24Å; N166-H170 WeakPolarHBondContact O-CB 3.33Å; N166-H170 PolarHBondContact O-N 3.3Å
167L80.4Confident80.1Confident25 Ų2570 Ų7013%0.13139%0.385CS..Hα-helixtrans-62.1-44.3172174.562000111.1L153 C154 F161 R163 S164 H170 R171L153-L167 WeakPolarHBondContact O-CD2 3.44Å; C154-L167 HydrophobicContact CB-CD1 3.59Å; F161-L167 HydrophobicContact CB-CB 4.29Å; F161-L167 HydrophobicContact CD2-CB 3.88Å; F161-L167 HydrophobicContact CD2-CD1 3.72Å; F161-L167 HydrophobicContact CD2-CG 4.39Å; F161-L167 HydrophobicContact CE2-CD1 3.86Å; F161-L167 HydrophobicContact CG-CB 4.23Å; R163-L167 PolarHBondContact O-N 3.05Å; S164-L167 WeakPolarHBondContact O-CB 3.25Å; S164-L167 PolarHBondContact O-N 3Å; S164-L167 VanDerWaalsContact O-N 3.08Å; L167-H170 CarbonylContact O-C 3.57Å; L167-H170 WeakPolarHBondContact O-CA 3.3Å; L167-H170 WeakPolarHBondContact O-CB 3.45Å; L167-H170 PolarHBondContact O-N 3.1Å; L167-H170 VanDerWaalsContact O-N 3.1Å; L167-R171 HydrophobicContact CD1-CG 4.33Å; L167-R171 WeakPolarHBondContact O-CG 3.45Å; L167-R171 PolarHBondContact O-N 3.4Å
168I78.8Confident79.9Confident104 Ų10472.2 Ų72.253%0.53339%0.389SS..Hα-helixtrans-59.9-48.8176.8-66.7166000110.5S164 H170 R171S164-I168 WeakPolarHBondContact O-CG1 3.13Å; S164-I168 PolarHBondContact O-N 3.29Å; I168-H170 PolarHBondContact O-N 2.88Å; I168-R171 PolarHBondContact O-N 2.84Å; I168-R171 VanDerWaalsContact O-N 3.16Å
169K76.8Confident79.8Confident110 Ų11073.5 Ų73.548%0.47839%0.386SS..Hα-helixtrans-60.7-31.8174.9-71169.1-171.3174.80112.8S165 N166S165-K169 VanDerWaalsContact O-CG 3.24Å; S165-K169 WeakPolarHBondContact O-CG 3.18Å; S165-K169 PolarHBondContact O-N 3.4Å; N166-K169 PolarHBondContact O-N 3.11Å
170H80.7Confident79.7Confident15 Ų1572.3 Ų72.37%0.06938%0.379CS..Hα-helixtrans-73.9-37.4176.9168.873000112.1C154 C157 F161 N166 L167 I168 I172 I173 H174C154-H170 VanDerWaalsContact SG-CD2 3.5Å; C154-H170 PolarHBondContact SG-NE2 3.47Å; C157-H170 VanDerWaalsContact SG-CE1 3.56Å; C157-H170 PolarHBondContact SG-NE2 3.29Å; F161-H170 HydrophobicContact CE1-CB 3.92Å; F161-H170 HydrophobicContact CE2-CB 3.89Å; F161-H170 AromaticContact CE2-CD2 3.42Å; F161-H170 VanDerWaalsContact CE2-CD2 3.42Å; F161-H170 WeakPolarHBondContact CE2-CD2 3.48Å; F161-H170 AromaticContact CE2-CG 3.6Å; F161-H170 HydrophobicContact CZ-CB 3.44Å; F161-H170 VanDerWaalsContact CZ-CB 3.44Å; F161-H170 AromaticContact CZ-CD2 3.49Å; F161-H170 VanDerWaalsContact CZ-CD2 3.49Å; F161-H170 WeakPolarHBondContact CZ-CD2 3.28Å; F161-H170 AromaticContact CZ-CG 3.18Å; F161-H170 AromaticContact CZ-ND1 3.57Å; N166-H170 VanDerWaalsContact O-CB 3.24Å; N166-H170 WeakPolarHBondContact O-CB 3.33Å; N166-H170 PolarHBondContact O-N 3.3Å; L167-H170 CarbonylContact O-C 3.57Å; L167-H170 WeakPolarHBondContact O-CA 3.3Å; L167-H170 WeakPolarHBondContact O-CB 3.45Å; L167-H170 PolarHBondContact O-N 3.1Å; L167-H170 VanDerWaalsContact O-N 3.1Å; I168-H170 PolarHBondContact O-N 2.88Å; H170-I172 PolarHBondContact O-N 3.25Å; H170-I173 WeakPolarHBondContact O-CB 3.35Å; H170-I173 WeakPolarHBondContact O-CG1 3.41Å; H170-I173 PolarHBondContact O-N 3.46Å; H170-H174 AromaticContact CE1-NE2 3.68Å; H170-H174 AromaticContact NE2-CD2 3.77Å; H170-H174 AromaticContact NE2-NE2 3.25Å; H170-H174 PolarHBondContact NE2-NE2 3.25Å
171R77.9Confident79.7Confident160 Ų16072.1 Ų72.160%0.60438%0.378SS*.Hα-helixtrans-58.4-30.3177.1-73.9175.468.6-164.20.2113L167 I168 I173 H174 S175L167-R171 HydrophobicContact CD1-CG 4.33Å; L167-R171 WeakPolarHBondContact O-CG 3.45Å; L167-R171 PolarHBondContact O-N 3.4Å; I168-R171 PolarHBondContact O-N 2.84Å; I168-R171 VanDerWaalsContact O-N 3.16Å; R171-I173 PolarHBondContact O-N 3.3Å; R171-I173 VanDerWaalsContact O-N 3.15Å; R171-H174 WeakPolarHBondContact O-CA 3.25Å; R171-H174 WeakPolarHBondContact O-CB 3.49Å; R171-H174 PolarHBondContact O-N 3.08Å; R171-S175 PolarHBondContact O-N 3.19Å
172I78.4Confident79.9Confident36 Ų3670.1 Ų70.119%0.18537%0.369CS..Hα-helixtrans-58.7-26173.5-58.2172.6000112.2H170 H174 S175 G176 E177 R190H170-I172 PolarHBondContact O-N 3.25Å; I172-H174 VanDerWaalsContact C-N 3.29Å; I172-H174 PolarHBondContact O-N 3.23Å; I172-S175 WeakPolarHBondContact CA-OG 3.35Å; I172-G176 PolarHBondContact O-N 3.37Å; I172-G176 VanDerWaalsContact O-N 3.14Å; I172-E177 HydrophobicContact CG2-CB 4.48Å; I172-E177 WeakPolarHBondContact CG2-O 3.49Å; I172-R190 HydrophobicContact CG2-CB 4.04Å; I172-R190 HydrophobicContact CG2-CG 4.22Å
173I78.3Confident80Confident71 Ų7175.7 Ų75.736%0.36438%0.379SS..Hα-helixtrans-66.1-37.4175.2-59.8175.5000110.6H170 R171H170-I173 WeakPolarHBondContact O-CB 3.35Å; H170-I173 WeakPolarHBondContact O-CG1 3.41Å; H170-I173 PolarHBondContact O-N 3.46Å; R171-I173 PolarHBondContact O-N 3.3Å; R171-I173 VanDerWaalsContact O-N 3.15Å
174H78.3Confident80.2Confident59 Ų5977 Ų7727%0.27339%0.39SS..Hα-helixtrans-82.7-40.8-179.6-66.5-64.7000112.9C154 Q156 C157 H170 R171 I172 G176C154-H174 PolarHBondContact SG-NE2 2.83Å; Q156-H174 VanDerWaalsContact OE1-CG 3.31Å; C157-H174 PolarHBondContact SG-NE2 3.43Å; H170-H174 AromaticContact CE1-NE2 3.68Å; H170-H174 AromaticContact NE2-CD2 3.77Å; H170-H174 AromaticContact NE2-NE2 3.25Å; H170-H174 PolarHBondContact NE2-NE2 3.25Å; R171-H174 WeakPolarHBondContact O-CA 3.25Å; R171-H174 WeakPolarHBondContact O-CB 3.49Å; R171-H174 PolarHBondContact O-N 3.08Å; I172-H174 VanDerWaalsContact C-N 3.29Å; I172-H174 PolarHBondContact O-N 3.23Å; H174-G176 PolarHBondContact O-N 2.78Å
175S76.6Confident80.7Confident62 Ų6276.9 Ų76.943%0.43439%0.389SS..Hα-helixtrans-67.2-21.5175.967.10000112.2R171 I172 E177R171-S175 PolarHBondContact O-N 3.19Å; I172-S175 WeakPolarHBondContact CA-OG 3.35Å; S175-E177 PolarHBondContact O-N 2.87Å; S175-E177 VanDerWaalsContact O-N 3.1Å; S175-E177 WeakPolarHBondContact OG-CG 3.26Å; S175-E177 PolarHBondContact OG-N 3.07Å; S175-E177 PolarHBondContact OG-OE2 3.03Å
176G74.3Confident80.9Confident37 Ų3776.9 Ų76.938%0.38140%0.397SS..  trans72.3-2.7-17800000113.5I172 H174I172-G176 PolarHBondContact O-N 3.37Å; I172-G176 VanDerWaalsContact O-N 3.14Å; H174-G176 PolarHBondContact O-N 2.78Å
177E76.9Confident81Confident118 Ų11879.9 Ų79.955%0.55141%0.407SS*.  trans-56.8137.4178.5-68.5168.9153.600110.5I172 S175I172-E177 HydrophobicContact CG2-CB 4.48Å; I172-E177 WeakPolarHBondContact CG2-O 3.49Å; S175-E177 PolarHBondContact O-N 2.87Å; S175-E177 VanDerWaalsContact O-N 3.1Å; S175-E177 WeakPolarHBondContact OG-CG 3.26Å; S175-E177 PolarHBondContact OG-N 3.07Å; S175-E177 PolarHBondContact OG-OE2 3.03Å
178K80.8Confident81.2Confident100 Ų10083.1 Ų83.144%0.43542%0.424SS..  trans-130.177.3177.6-69.6171.7177.4-176.40108.4Y180 L188 F189 R190K178-Y180 PolarHBondContact O-N 3.42Å; K178-Y180 VanDerWaalsContact O-N 3.07Å; K178-L188 HydrophobicContact CB-CB 3.43Å; K178-L188 VanDerWaalsContact CB-CB 3.43Å; K178-L188 HydrophobicContact CB-CD1 4.45Å; K178-L188 HydrophobicContact CD-CB 3.78Å; K178-L188 WeakPolarHBondContact CD-O 3.43Å; K178-L188 HydrophobicContact CG-CB 4.25Å; K178-F189 CarbonylContact C-O 3.5Å; K178-F189 VanDerWaalsContact CA-O 3.25Å; K178-F189 WeakPolarHBondContact CA-O 3.39Å; K178-R190 HydrophobicContact CG-CG 3.79Å
179P80.3Confident81.5Confident86 Ų8680 Ų8056%0.55841%0.406SS*.  trans-64.2-17.6-169.2-23.135000114.2
180Y82.4Confident81.6Confident98 Ų9879.5 Ų79.538%0.38440%0.402SS..EExtended strand (participates in β ladder)trans-105.2113.2-171.5-55.2-79.1000110.6K178 L188 F189K178-Y180 PolarHBondContact O-N 3.42Å; K178-Y180 VanDerWaalsContact O-N 3.07Å; Y180-L188 CarbonylContact O-C 3.58Å; Y180-L188 WeakPolarHBondContact O-CA 3.42Å; Y180-F189 WeakPolarHBondContact CD2-O 3.43Å; Y180-F189 PolarHBondContact N-O 3.12Å; Y180-F189 PolarHBondContact O-N 3.27Å
181A85.6Confident81.5Confident51 Ų5186 Ų8642%0.42143%0.426SS..EExtended strand (participates in β ladder)trans-104.4136.6-178.800000112.6L188 L195A181-L188 HydrophobicContact CB-CD2 3.42Å; A181-L188 VanDerWaalsContact CB-CD2 3.42Å; A181-L195 WeakPolarHBondContact O-CD2 3.08Å
182C88.8Confident81.6Confident2 Ų281.5 Ų81.51%0.01442%0.418CS..  trans-75.5125.4168.2-174.20000109.8E184 G186 K187 F189 L195 H198C182-E184 VanDerWaalsContact C-N 3.27Å; C182-E184 PolarHBondContact O-N 3.43Å; C182-G186 WeakPolarHBondContact O-CA 3.5Å; C182-G186 PolarHBondContact O-N 3.23Å; C182-K187 HydrophobicContact CB-CB 4.5Å; C182-K187 PolarHBondContact N-O 2.88Å; C182-F189 HydrophobicContact CB-CE2 4.17Å; C182-L195 VanDerWaalsContact CA-CD1 3.47Å; C182-L195 HydrophobicContact CB-CD1 3.63Å; C182-H198 VanDerWaalsContact SG-CD2 3.59Å; C182-H198 PolarHBondContact SG-NE2 2.9Å; C182-H198 VanDerWaalsContact SG-NE2 3.42Å
183R86Confident81.7Confident186 Ų18685.6 Ų85.670%0.70244%0.435SS*.THydrogen-bonded Turntrans-70.2-24.5-178.7-65.1-176.9-179.7-174.55112.9
184E85.7Confident82Confident129 Ų12983.7 Ų83.760%0.60343%0.43SS*.THydrogen-bonded Turntrans-88.5-39.8-175.3-65.8-175.3-135.900113.5C182 H202C182-E184 VanDerWaalsContact C-N 3.27Å; C182-E184 PolarHBondContact O-N 3.43Å; E184-H202 WeakPolarHBondContact OE1-CB 3.3Å; E184-H202 IonicContact OE1-CG 3.57Å; E184-H202 WeakPolarHBondContact OE2-CB 3.46Å; E184-H202 IonicContact OE2-CE1 3.41Å; E184-H202 IonicContact OE2-CG 3.56Å; E184-H202 IonicContact OE2-ND1 3.55Å; E184-H202 PolarHBondContact OE2-ND1 3.25Å
185C88Confident82.4Confident52 Ų5282 Ų8235%0.35142%0.422SS..THydrogen-bonded Turntrans-1215.3-17968.10000114.7K187 H198 H202C185-K187 PolarHBondContact O-N 2.79Å; C185-K187 VanDerWaalsContact SG-CG 3.6Å; C185-H198 PolarHBondContact SG-NE2 3.43Å; C185-H202 PolarHBondContact SG-NE2 2.98Å; C185-H202 VanDerWaalsContact SG-NE2 3.36Å
186G83.1Confident82.7Confident51 Ų5181.6 Ų81.653%0.52642%0.415SS..  trans68.90.1178.700000115.3C182 L188C182-G186 WeakPolarHBondContact O-CA 3.5Å; C182-G186 PolarHBondContact O-N 3.23Å; G186-L188 PolarHBondContact O-N 3.11Å
187K83Confident83.2Confident125 Ų12581 Ų8154%0.54340%0.402SS..  trans-63.6133.9-178.4-75.9179.5-176.1171.50111.3C182 C185 F189C182-K187 HydrophobicContact CB-CB 4.5Å; C182-K187 PolarHBondContact N-O 2.88Å; C185-K187 PolarHBondContact O-N 2.79Å; C185-K187 VanDerWaalsContact SG-CG 3.6Å; K187-F189 HydrophobicContact CB-CE2 3.78Å; K187-F189 HydrophobicContact CB-CZ 3.95Å; K187-F189 WeakPolarHBondContact O-CD2 3.35Å; K187-F189 WeakPolarHBondContact O-CE2 3.35Å
188L85.6Confident83.7Confident93 Ų9376 Ų7649%0.48738%0.379SS..EExtended strand (participates in β ladder)trans-98.9141.7-178.7-53178.7000111.6K178 Y180 A181 G186K178-L188 HydrophobicContact CB-CB 3.43Å; K178-L188 VanDerWaalsContact CB-CB 3.43Å; K178-L188 HydrophobicContact CB-CD1 4.45Å; K178-L188 HydrophobicContact CD-CB 3.78Å; K178-L188 WeakPolarHBondContact CD-O 3.43Å; K178-L188 HydrophobicContact CG-CB 4.25Å; Y180-L188 CarbonylContact O-C 3.58Å; Y180-L188 WeakPolarHBondContact O-CA 3.42Å; A181-L188 HydrophobicContact CB-CD2 3.42Å; A181-L188 VanDerWaalsContact CB-CD2 3.42Å; G186-L188 PolarHBondContact O-N 3.11Å
189F83.3Confident84Confident38 Ų3874.6 Ų74.617%0.16737%0.374CS..EExtended strand (participates in β ladder)trans-127.9145.6-177.3-60.7-89.5000111.1K178 Y180 C182 K187 R191 A194 L195 H198K178-F189 CarbonylContact C-O 3.5Å; K178-F189 VanDerWaalsContact CA-O 3.25Å; K178-F189 WeakPolarHBondContact CA-O 3.39Å; Y180-F189 WeakPolarHBondContact CD2-O 3.43Å; Y180-F189 PolarHBondContact N-O 3.12Å; Y180-F189 PolarHBondContact O-N 3.27Å; C182-F189 HydrophobicContact CB-CE2 4.17Å; K187-F189 HydrophobicContact CB-CE2 3.78Å; K187-F189 HydrophobicContact CB-CZ 3.95Å; K187-F189 WeakPolarHBondContact O-CD2 3.35Å; K187-F189 WeakPolarHBondContact O-CE2 3.35Å; F189-R191 VanDerWaalsContact C-N 3.32Å; F189-A194 HydrophobicContact CB-CB 4.36Å; F189-A194 HydrophobicContact CD1-CB 3.96Å; F189-A194 HydrophobicContact CG-CB 4.5Å; F189-L195 HydrophobicContact CB-CB 4.12Å; F189-L195 HydrophobicContact CD2-CB 3.78Å; F189-L195 HydrophobicContact CD2-CD1 3.68Å; F189-L195 HydrophobicContact CD2-CG 4.32Å; F189-L195 HydrophobicContact CE2-CD1 3.82Å; F189-L195 HydrophobicContact CG-CB 4.01Å; F189-H198 HydrophobicContact CE1-CB 3.66Å; F189-H198 AromaticContact CE1-CG 3.9Å; F189-H198 HydrophobicContact CE2-CB 4Å; F189-H198 AromaticContact CE2-CD2 3.38Å; F189-H198 WeakPolarHBondContact CE2-CD2 3.45Å; F189-H198 AromaticContact CE2-CG 3.7Å; F189-H198 HydrophobicContact CZ-CB 3.35Å; F189-H198 AromaticContact CZ-CD2 3.28Å; F189-H198 WeakPolarHBondContact CZ-CD2 3.39Å; F189-H198 AromaticContact CZ-CG 3.11Å; F189-H198 AromaticContact CZ-ND1 3.68Å; F189-H198 AromaticContact CZ-NE2 3.89Å
190R79.8Confident84.3Confident101 Ų10171.8 Ų71.838%0.38135%0.352SS..SBendtrans-78-16.8177.1-63.1-174.2174.9160.8-4.7113.4I172 K178I172-R190 HydrophobicContact CG2-CB 4.04Å; I172-R190 HydrophobicContact CG2-CG 4.22Å; K178-R190 HydrophobicContact CG-CG 3.79Å
191R79.4Confident84.5Confident152 Ų15272.9 Ų72.957%0.57436%0.364SS*.SBendtrans-140.3142.3-174.9-61.9-178.6-175.2170.40.8109.7F189 A194 L195F189-R191 VanDerWaalsContact C-N 3.32Å; R191-A194 HydrophobicContact CB-CB 4.34Å; R191-A194 WeakPolarHBondContact O-CB 3.39Å; R191-A194 PolarHBondContact O-N 2.8Å; R191-L195 PolarHBondContact O-N 2.94Å
192S78.4Confident84.6Confident64 Ų6473.6 Ų73.645%0.44836%0.358SS..Hα-helixtrans-59.1-46.6178.455.30000112.7A194 L195 L196S192-A194 PolarHBondContact O-N 3.25Å; S192-L195 WeakPolarHBondContact O-CA 3.48Å; S192-L195 WeakPolarHBondContact O-CB 3.34Å; S192-L195 PolarHBondContact O-N 3.18Å; S192-L196 PolarHBondContact O-N 2.74Å
193F81.8Confident84.5Confident123 Ų12376.8 Ų76.854%0.53938%0.381SS..Hα-helixtrans-57.9-35.4176.9175.2-93.6000112.8L195 L196 E197F193-L195 VanDerWaalsContact C-N 3.34Å; F193-L196 PolarHBondContact O-N 3.44Å; F193-E197 HydrophobicContact CE1-CB 4.38Å; F193-E197 VanDerWaalsContact O-CB 3.28Å; F193-E197 WeakPolarHBondContact O-CB 3.47Å; F193-E197 PolarHBondContact O-N 3.05Å
194A83.7Confident84.5Confident30 Ų3070.1 Ų70.125%0.24837%0.369CS..Hα-helixtrans-69.8-33.9178.200000111.8F189 R191 S192 H198F189-A194 HydrophobicContact CB-CB 4.36Å; F189-A194 HydrophobicContact CD1-CB 3.96Å; F189-A194 HydrophobicContact CG-CB 4.5Å; R191-A194 HydrophobicContact CB-CB 4.34Å; R191-A194 WeakPolarHBondContact O-CB 3.39Å; R191-A194 PolarHBondContact O-N 2.8Å; S192-A194 PolarHBondContact O-N 3.25Å; A194-H198 VanDerWaalsContact O-CB 3.24Å; A194-H198 WeakPolarHBondContact O-CB 3.37Å; A194-H198 PolarHBondContact O-N 2.89Å
195L86.6Confident84.5Confident23 Ų2369.5 Ų69.512%0.1237%0.366CS..Hα-helixtrans-66-47.9170.2169.361.6000110.9A181 C182 F189 R191 S192 F193 E197 H198 Q199A181-L195 WeakPolarHBondContact O-CD2 3.08Å; C182-L195 VanDerWaalsContact CA-CD1 3.47Å; C182-L195 HydrophobicContact CB-CD1 3.63Å; F189-L195 HydrophobicContact CB-CB 4.12Å; F189-L195 HydrophobicContact CD2-CB 3.78Å; F189-L195 HydrophobicContact CD2-CD1 3.68Å; F189-L195 HydrophobicContact CD2-CG 4.32Å; F189-L195 HydrophobicContact CE2-CD1 3.82Å; F189-L195 HydrophobicContact CG-CB 4.01Å; R191-L195 PolarHBondContact O-N 2.94Å; S192-L195 WeakPolarHBondContact O-CA 3.48Å; S192-L195 WeakPolarHBondContact O-CB 3.34Å; S192-L195 PolarHBondContact O-N 3.18Å; F193-L195 VanDerWaalsContact C-N 3.34Å; L195-E197 VanDerWaalsContact C-N 3.34Å; L195-E197 PolarHBondContact O-N 3.49Å; L195-H198 CarbonylContact O-C 3.24Å; L195-H198 WeakPolarHBondContact O-CA 3.37Å; L195-H198 WeakPolarHBondContact O-CB 3.37Å; L195-H198 PolarHBondContact O-N 3.07Å; L195-Q199 HydrophobicContact CD1-CG 4.27Å; L195-Q199 WeakPolarHBondContact O-CG 3.47Å; L195-Q199 PolarHBondContact O-N 3.08Å
196L84.4Confident84.4Confident55 Ų5572.3 Ų72.329%0.28837%0.373SS..Hα-helixtrans-59.6-44.5179.6-17567.3000111.9S192 F193 H198 Q199S192-L196 PolarHBondContact O-N 2.74Å; F193-L196 PolarHBondContact O-N 3.44Å; L196-H198 VanDerWaalsContact C-N 3.28Å; L196-H198 PolarHBondContact O-N 3.36Å; L196-Q199 WeakPolarHBondContact O-CB 3.38Å; L196-Q199 PolarHBondContact O-N 3.38Å
197E84.1Confident84.6Confident23 Ų2373.5 Ų73.511%0.10737%0.371CS..Hα-helixtrans-64.7-34.4175.4-177178.4-132.700112.3F193 L195 R200 R219F193-E197 HydrophobicContact CE1-CB 4.38Å; F193-E197 VanDerWaalsContact O-CB 3.28Å; F193-E197 WeakPolarHBondContact O-CB 3.47Å; F193-E197 PolarHBondContact O-N 3.05Å; L195-E197 VanDerWaalsContact C-N 3.34Å; L195-E197 PolarHBondContact O-N 3.49Å; E197-R200 WeakPolarHBondContact O-CB 3.25Å; E197-R200 PolarHBondContact O-N 3.46Å; E197-R219 WeakPolarHBondContact OE1-CD 3.17Å; E197-R219 WeakPolarHBondContact OE1-CG 3.5Å; E197-R219 IonicContact OE1-CZ 3.1Å; E197-R219 IonicContact OE1-NE 3.46Å; E197-R219 PolarHBondContact OE1-NE 3.12Å; E197-R219 IonicContact OE1-NH1 2.93Å; E197-R219 IonicContact OE1-NH2 3.58Å; E197-R219 PolarHBondContact OE1-NH2 3.13Å; E197-R219 IonicContact OE2-CZ 3.7Å; E197-R219 IonicContact OE2-NE 3.97Å; E197-R219 IonicContact OE2-NH1 3.47Å; E197-R219 IonicContact OE2-NH2 2.93Å; E197-R219 PolarHBondContact OE2-NH2 2.96Å
198H87.6Confident84.9Confident14 Ų1470.9 Ų70.97%0.06536%0.358CS..Hα-helixtrans-69-36.1174.6165.769.9000112.5C182 C185 F189 A194 L195 L196 R200 I201 H202C182-H198 VanDerWaalsContact SG-CD2 3.59Å; C182-H198 PolarHBondContact SG-NE2 2.9Å; C182-H198 VanDerWaalsContact SG-NE2 3.42Å; C185-H198 PolarHBondContact SG-NE2 3.43Å; F189-H198 HydrophobicContact CE1-CB 3.66Å; F189-H198 AromaticContact CE1-CG 3.9Å; F189-H198 HydrophobicContact CE2-CB 4Å; F189-H198 AromaticContact CE2-CD2 3.38Å; F189-H198 WeakPolarHBondContact CE2-CD2 3.45Å; F189-H198 AromaticContact CE2-CG 3.7Å; F189-H198 HydrophobicContact CZ-CB 3.35Å; F189-H198 AromaticContact CZ-CD2 3.28Å; F189-H198 WeakPolarHBondContact CZ-CD2 3.39Å; F189-H198 AromaticContact CZ-CG 3.11Å; F189-H198 AromaticContact CZ-ND1 3.68Å; F189-H198 AromaticContact CZ-NE2 3.89Å; A194-H198 VanDerWaalsContact O-CB 3.24Å; A194-H198 WeakPolarHBondContact O-CB 3.37Å; A194-H198 PolarHBondContact O-N 2.89Å; L195-H198 CarbonylContact O-C 3.24Å; L195-H198 WeakPolarHBondContact O-CA 3.37Å; L195-H198 WeakPolarHBondContact O-CB 3.37Å; L195-H198 PolarHBondContact O-N 3.07Å; L196-H198 VanDerWaalsContact C-N 3.28Å; L196-H198 PolarHBondContact O-N 3.36Å; H198-R200 PolarHBondContact O-N 3.41Å; H198-R200 VanDerWaalsContact O-N 3.16Å; H198-I201 VanDerWaalsContact O-CB 3.25Å; H198-I201 WeakPolarHBondContact O-CB 3.2Å; H198-I201 WeakPolarHBondContact O-CG1 3.38Å; H198-I201 PolarHBondContact O-N 3.05Å; H198-H202 AromaticContact CE1-NE2 3.69Å; H198-H202 AromaticContact NE2-CD2 3.81Å; H198-H202 AromaticContact NE2-NE2 3.39Å; H198-H202 PolarHBondContact NE2-NE2 2.89Å
199Q85.9Confident85.1Confident70 Ų7069.3 Ų69.333%0.32736%0.359SS..Hα-helixtrans-59.5-25.3175.9-72.8174.4-54.800112.4L195 L196 I201 H202 S203L195-Q199 HydrophobicContact CD1-CG 4.27Å; L195-Q199 WeakPolarHBondContact O-CG 3.47Å; L195-Q199 PolarHBondContact O-N 3.08Å; L196-Q199 WeakPolarHBondContact O-CB 3.38Å; L196-Q199 PolarHBondContact O-N 3.38Å; Q199-I201 PolarHBondContact O-N 3.49Å; Q199-I201 VanDerWaalsContact O-N 3.16Å; Q199-H202 WeakPolarHBondContact O-CA 3.28Å; Q199-H202 VanDerWaalsContact O-CB 3.31Å; Q199-H202 WeakPolarHBondContact O-CB 3.46Å; Q199-H202 PolarHBondContact O-N 3.4Å; Q199-S203 PolarHBondContact O-N 3.31Å
200R87.7Confident85.4Confident27 Ų2767.9 Ų67.910%0.10235%0.354CS..Hα-helixtrans-62.6-20172.4-60.3-177.9-173.3166.60.9114.3E197 H198 H202 S203 G204 E205 T218E197-R200 WeakPolarHBondContact O-CB 3.25Å; E197-R200 PolarHBondContact O-N 3.46Å; H198-R200 PolarHBondContact O-N 3.41Å; H198-R200 VanDerWaalsContact O-N 3.16Å; R200-H202 VanDerWaalsContact C-N 3.28Å; R200-S203 WeakPolarHBondContact CA-OG 3.29Å; R200-G204 WeakPolarHBondContact O-CA 3.46Å; R200-G204 PolarHBondContact O-N 3.4Å; R200-E205 HydrophobicContact CG-CB 4.46Å; R200-E205 PolarHBondContact O-N 3.16Å; R200-T218 HydrophobicContact CB-CG2 4.43Å; R200-T218 PolarHBondContact NH1-O 3.2Å
201I86.4Confident85.7Confident122 Ų12268.2 Ų68.263%0.62637%0.369SS*.Hα-helixtrans-69.8-34.1173.4-60.9175.8000110.2H198 Q199H198-I201 VanDerWaalsContact O-CB 3.25Å; H198-I201 WeakPolarHBondContact O-CB 3.2Å; H198-I201 WeakPolarHBondContact O-CG1 3.38Å; H198-I201 PolarHBondContact O-N 3.05Å; Q199-I201 PolarHBondContact O-N 3.49Å; Q199-I201 VanDerWaalsContact O-N 3.16Å
202H88.1Confident86.2Confident65 Ų6566.5 Ų66.530%0.30137%0.367SS..Hα-helixtrans-80-48.3-179.3-71.8-79.1000112.1E184 C185 H198 Q199 R200 G204E184-H202 WeakPolarHBondContact OE1-CB 3.3Å; E184-H202 IonicContact OE1-CG 3.57Å; E184-H202 WeakPolarHBondContact OE2-CB 3.46Å; E184-H202 IonicContact OE2-CE1 3.41Å; E184-H202 IonicContact OE2-CG 3.56Å; E184-H202 IonicContact OE2-ND1 3.55Å; E184-H202 PolarHBondContact OE2-ND1 3.25Å; C185-H202 PolarHBondContact SG-NE2 2.98Å; C185-H202 VanDerWaalsContact SG-NE2 3.36Å; H198-H202 AromaticContact CE1-NE2 3.69Å; H198-H202 AromaticContact NE2-CD2 3.81Å; H198-H202 AromaticContact NE2-NE2 3.39Å; H198-H202 PolarHBondContact NE2-NE2 2.89Å; Q199-H202 WeakPolarHBondContact O-CA 3.28Å; Q199-H202 VanDerWaalsContact O-CB 3.31Å; Q199-H202 WeakPolarHBondContact O-CB 3.46Å; Q199-H202 PolarHBondContact O-N 3.4Å; R200-H202 VanDerWaalsContact C-N 3.28Å; H202-G204 PolarHBondContact O-N 3.18Å
203S86.8Confident86.8Confident70 Ų7065.2 Ų65.249%0.4936%0.358SS..Hα-helixtrans-72.3-17.2177.163.90000113.5Q199 R200 E205Q199-S203 PolarHBondContact O-N 3.31Å; R200-S203 WeakPolarHBondContact CA-OG 3.29Å; S203-E205 PolarHBondContact O-N 3.47Å; S203-E205 WeakPolarHBondContact OG-CB 3.41Å; S203-E205 WeakPolarHBondContact OG-CG 3.43Å; S203-E205 PolarHBondContact OG-N 2.91Å
204G85.5Confident87.1Confident45 Ų4565.4 Ų65.446%0.46437%0.374SS..  trans72.63.4-174.200000114R200 H202 K206R200-G204 WeakPolarHBondContact O-CA 3.46Å; R200-G204 PolarHBondContact O-N 3.4Å; H202-G204 PolarHBondContact O-N 3.18Å; G204-K206 PolarHBondContact O-N 3.13Å
205E84.5Confident87.3Confident116 Ų11669.8 Ų69.854%0.54239%0.388SS..  trans-60.1124.2-179.3-75.4178.1178.300111.8R200 S203R200-E205 HydrophobicContact CG-CB 4.46Å; R200-E205 PolarHBondContact O-N 3.16Å; S203-E205 PolarHBondContact O-N 3.47Å; S203-E205 WeakPolarHBondContact OG-CB 3.41Å; S203-E205 WeakPolarHBondContact OG-CG 3.43Å; S203-E205 PolarHBondContact OG-N 2.91Å
206K87.4Confident87.5Confident111 Ų11171.7 Ų71.748%0.48340%0.4SS..  trans-12878.3176.3-70.4170.5-176.7174.70109.2G204 Y208 T216 F217 T218G204-K206 PolarHBondContact O-N 3.13Å; K206-Y208 PolarHBondContact O-N 3.39Å; K206-T216 WeakPolarHBondContact CB-OG1 3.48Å; K206-T216 WeakPolarHBondContact CD-OG1 3.47Å; K206-F217 CarbonylContact C-O 3.58Å; K206-F217 VanDerWaalsContact C-O 3.24Å; K206-F217 WeakPolarHBondContact CA-O 3.3Å; K206-T218 HydrophobicContact CG-CG2 3.84Å
207P86.8Confident87.6Confident76 Ų7671 Ų7149%0.49440%0.395SS..  trans-63.1-16.8-169.6-23.934.9000114.6
208Y88.7Confident87.7Confident70 Ų7071.7 Ų71.728%0.27540%0.401SS..EExtended strand (participates in β ladder)trans-105.895.2-172.8-53.1-76.3000110.3K206 T216 F217 T218 S220K206-Y208 PolarHBondContact O-N 3.39Å; Y208-T216 CarbonylContact O-C 3.54Å; Y208-T216 WeakPolarHBondContact O-CA 3.5Å; Y208-F217 WeakPolarHBondContact CD2-O 3.28Å; Y208-F217 PolarHBondContact N-O 2.83Å; Y208-F217 VanDerWaalsContact N-O 3.16Å; Y208-F217 PolarHBondContact O-N 3.41Å; Y208-T218 WeakPolarHBondContact CE2-O 3.45Å; Y208-S220 VanDerWaalsContact CD2-N 3.26Å; Y208-S220 VanDerWaalsContact CE2-N 3.31Å
209A89.4Confident87.4Confident60 Ų6076 Ų7650%0.49642%0.417SS..EExtended strand (participates in β ladder)trans-85.2142.4175.900000111.9T216 L223A209-T216 HydrophobicContact CB-CG2 3.95Å; A209-L223 WeakPolarHBondContact O-CD2 3.43Å
210C89.9Confident87.4Confident9 Ų975.4 Ų75.46%0.06142%0.42CS..  trans-77.3131.2168.2-1760000109.6E212 C213 K215 F217 L223C210-E212 VanDerWaalsContact C-N 3.26Å; C210-E212 PolarHBondContact O-N 3.13Å; C210-C213 WeakPolarHBondContact CB-O 3.39Å; C210-K215 WeakPolarHBondContact CB-O 3.49Å; C210-K215 PolarHBondContact N-O 3.28Å; C210-F217 HydrophobicContact CB-CE2 4.48Å; C210-L223 HydrophobicContact CB-CD1 3.8Å
211P87.6Confident87.2Confident108 Ų10876.5 Ų76.570%0.70143%0.432SS*.SBendtrans-72-22176.926.8-32.3000112.8
212E87.9Confident87.2Confident116 Ų11673.5 Ų73.554%0.54242%0.417SS..SBendtrans-99-10.1-173.7-61.3-178.1-115.900113.7C210 H230C210-E212 VanDerWaalsContact C-N 3.26Å; C210-E212 PolarHBondContact O-N 3.13Å; E212-H230 WeakPolarHBondContact CB-ND1 3.39Å; E212-H230 VanDerWaalsContact CD-CB 3.5Å; E212-H230 WeakPolarHBondContact OE1-CB 3.39Å; E212-H230 IonicContact OE1-CG 2.63Å; E212-H230 WeakPolarHBondContact OE2-CB 3.44Å; E212-H230 IonicContact OE2-CG 2.99Å; E212-H230 IonicContact OE2-ND1 3.03Å; E212-H230 PolarHBondContact OE2-ND1 3.29Å
213C91.1Very high87.1Confident36 Ų3671.4 Ų71.424%0.24341%0.408CS..SBendtrans-154.8163171.871.50000111.7C210 K215 H226 H230C210-C213 WeakPolarHBondContact CB-O 3.39Å; C213-K215 PolarHBondContact O-N 3.42Å; C213-H226 PolarHBondContact SG-NE2 3.33Å; C213-H230 PolarHBondContact SG-NE2 3.14Å; C213-H230 VanDerWaalsContact SG-NE2 3.43Å
214S89.6Confident87Confident127 Ų12773.1 Ų73.189%0.88841%0.411SS*.SBendtrans-69.615.5-178-40.50000115.1
215K87.9Confident86.7Confident123 Ų12376.9 Ų76.954%0.53541%0.414SS..  trans-85.6131.2-179.4-69.1178.5-179.9171.60111C210 C213 F217C210-K215 WeakPolarHBondContact CB-O 3.49Å; C210-K215 PolarHBondContact N-O 3.28Å; C213-K215 PolarHBondContact O-N 3.42Å; K215-F217 HydrophobicContact CB-CE2 4.05Å; K215-F217 HydrophobicContact CB-CZ 4.06Å
216T89.8Confident86.8Confident62 Ų6272 Ų7238%0.3839%0.391SS..EExtended strand (participates in β ladder)trans-116.3149.4176.459.50000111K206 Y208 A209K206-T216 WeakPolarHBondContact CB-OG1 3.48Å; K206-T216 WeakPolarHBondContact CD-OG1 3.47Å; Y208-T216 CarbonylContact O-C 3.54Å; Y208-T216 WeakPolarHBondContact O-CA 3.5Å; A209-T216 HydrophobicContact CB-CG2 3.95Å
217F86.9Confident86.5Confident41 Ų4169.9 Ų69.918%0.1838%0.383CS..EExtended strand (participates in β ladder)trans-128.2148.3-175-58.3-87.5000111.2K206 Y208 C210 K215 R219 N222 L223 H226K206-F217 CarbonylContact C-O 3.58Å; K206-F217 VanDerWaalsContact C-O 3.24Å; K206-F217 WeakPolarHBondContact CA-O 3.3Å; Y208-F217 WeakPolarHBondContact CD2-O 3.28Å; Y208-F217 PolarHBondContact N-O 2.83Å; Y208-F217 VanDerWaalsContact N-O 3.16Å; Y208-F217 PolarHBondContact O-N 3.41Å; C210-F217 HydrophobicContact CB-CE2 4.48Å; K215-F217 HydrophobicContact CB-CE2 4.05Å; K215-F217 HydrophobicContact CB-CZ 4.06Å; F217-R219 VanDerWaalsContact C-N 3.3Å; F217-N222 HydrophobicContact CB-CB 4.25Å; F217-N222 HydrophobicContact CD1-CB 3.89Å; F217-N222 HydrophobicContact CG-CB 4.3Å; F217-L223 HydrophobicContact CB-CB 4.43Å; F217-L223 HydrophobicContact CD2-CB 3.83Å; F217-L223 HydrophobicContact CD2-CD1 3.87Å; F217-L223 HydrophobicContact CD2-CG 4.45Å; F217-L223 HydrophobicContact CE2-CD1 3.95Å; F217-L223 HydrophobicContact CG-CB 4.29Å; F217-H226 HydrophobicContact CE1-CB 3.98Å; F217-H226 HydrophobicContact CE2-CB 3.83Å; F217-H226 AromaticContact CE2-CD2 3.35Å; F217-H226 WeakPolarHBondContact CE2-CD2 3.49Å; F217-H226 AromaticContact CE2-CG 3.62Å; F217-H226 HydrophobicContact CZ-CB 3.39Å; F217-H226 AromaticContact CZ-CD2 3.4Å; F217-H226 WeakPolarHBondContact CZ-CD2 3.38Å; F217-H226 AromaticContact CZ-CG 3.2Å; F217-H226 AromaticContact CZ-ND1 3.77Å
218T85.4Confident86.3Confident37 Ų3767.7 Ų67.723%0.22737%0.369CS..SBendtrans-77.3-17.217554.40000113R200 K206 Y208R200-T218 HydrophobicContact CB-CG2 4.43Å; R200-T218 PolarHBondContact NH1-O 3.2Å; K206-T218 HydrophobicContact CG-CG2 3.84Å; Y208-T218 WeakPolarHBondContact CE2-O 3.45Å
219R82.9Confident86.1Confident106 Ų10667.6 Ų67.640%0.437%0.372SS..SBendtrans-133.9138.3-177.8-49.6-174.7-174.2-152.4-14.2111.2E197 F217 S221 N222 L223E197-R219 WeakPolarHBondContact OE1-CD 3.17Å; E197-R219 WeakPolarHBondContact OE1-CG 3.5Å; E197-R219 IonicContact OE1-CZ 3.1Å; E197-R219 IonicContact OE1-NE 3.46Å; E197-R219 PolarHBondContact OE1-NE 3.12Å; E197-R219 IonicContact OE1-NH1 2.93Å; E197-R219 IonicContact OE1-NH2 3.58Å; E197-R219 PolarHBondContact OE1-NH2 3.13Å; E197-R219 IonicContact OE2-CZ 3.7Å; E197-R219 IonicContact OE2-NE 3.97Å; E197-R219 IonicContact OE2-NH1 3.47Å; E197-R219 IonicContact OE2-NH2 2.93Å; E197-R219 PolarHBondContact OE2-NH2 2.96Å; F217-R219 VanDerWaalsContact C-N 3.3Å; R219-S221 VanDerWaalsContact C-N 3.32Å; R219-S221 PolarHBondContact O-N 3.29Å; R219-N222 HydrophobicContact CB-CB 4.41Å; R219-N222 WeakPolarHBondContact O-CB 3.49Å; R219-N222 PolarHBondContact O-N 2.79Å; R219-N222 VanDerWaalsContact O-N 3.13Å; R219-L223 PolarHBondContact O-N 2.82Å
220S84.5Confident85.8Confident56 Ų5667.7 Ų67.739%0.39236%0.362SS..Hα-helixtrans-59.8-40.5175.157.70000112.6Y208 N222 L223 I224Y208-S220 VanDerWaalsContact CD2-N 3.26Å; Y208-S220 VanDerWaalsContact CE2-N 3.31Å; S220-N222 PolarHBondContact O-N 3.14Å; S220-L223 WeakPolarHBondContact O-CB 3.39Å; S220-L223 PolarHBondContact O-N 3.12Å; S220-I224 WeakPolarHBondContact O-CG1 3.35Å; S220-I224 PolarHBondContact O-N 3.29Å
221S83.6Confident85.3Confident51 Ų5170.3 Ų70.336%0.35738%0.38SS..Hα-helixtrans-61.1-28.2177.760.70000113.4R219 K225R219-S221 VanDerWaalsContact C-N 3.32Å; R219-S221 PolarHBondContact O-N 3.29Å; S221-K225 WeakPolarHBondContact O-CD 3.24Å; S221-K225 VanDerWaalsContact O-CG 3.24Å; S221-K225 WeakPolarHBondContact O-CG 3.33Å; S221-K225 PolarHBondContact O-N 3.36Å
222N86.3Confident84.9Confident58 Ų5867 Ų6731%0.3137%0.366SS..Hα-helixtrans-77.3-36.8174.9-70.7-19.1000111.5F217 R219 S220 K225 H226F217-N222 HydrophobicContact CB-CB 4.25Å; F217-N222 HydrophobicContact CD1-CB 3.89Å; F217-N222 HydrophobicContact CG-CB 4.3Å; R219-N222 HydrophobicContact CB-CB 4.41Å; R219-N222 WeakPolarHBondContact O-CB 3.49Å; R219-N222 PolarHBondContact O-N 2.79Å; R219-N222 VanDerWaalsContact O-N 3.13Å; S220-N222 PolarHBondContact O-N 3.14Å; N222-K225 PolarHBondContact O-N 2.77Å; N222-H226 VanDerWaalsContact O-CB 3.29Å; N222-H226 WeakPolarHBondContact O-CB 3.42Å; N222-H226 PolarHBondContact O-N 3.5Å
223L86.9Confident84.6Confident22 Ų2267 Ų6712%0.11537%0.366CS..Hα-helixtrans-61.2-47.2171.8171.960.9000111.1A209 C210 F217 R219 S220 K225 H226 Q227A209-L223 WeakPolarHBondContact O-CD2 3.43Å; C210-L223 HydrophobicContact CB-CD1 3.8Å; F217-L223 HydrophobicContact CB-CB 4.43Å; F217-L223 HydrophobicContact CD2-CB 3.83Å; F217-L223 HydrophobicContact CD2-CD1 3.87Å; F217-L223 HydrophobicContact CD2-CG 4.45Å; F217-L223 HydrophobicContact CE2-CD1 3.95Å; F217-L223 HydrophobicContact CG-CB 4.29Å; R219-L223 PolarHBondContact O-N 2.82Å; S220-L223 WeakPolarHBondContact O-CB 3.39Å; S220-L223 PolarHBondContact O-N 3.12Å; L223-K225 VanDerWaalsContact C-N 3.34Å; L223-K225 PolarHBondContact O-N 3.2Å; L223-H226 CarbonylContact O-C 3.18Å; L223-H226 WeakPolarHBondContact O-CA 3.41Å; L223-H226 VanDerWaalsContact O-CB 3.31Å; L223-H226 WeakPolarHBondContact O-CB 3.42Å; L223-H226 PolarHBondContact O-N 3.38Å; L223-Q227 HydrophobicContact CD1-CG 4.14Å; L223-Q227 WeakPolarHBondContact O-CG 3.49Å; L223-Q227 PolarHBondContact O-N 2.87Å
224I84.4Confident84.1Confident106 Ų10671.6 Ų71.654%0.54438%0.378SS..Hα-helixtrans-58.3-47.2177.8-65.5167.6000110.6S220 H226 Q227S220-I224 WeakPolarHBondContact O-CG1 3.35Å; S220-I224 PolarHBondContact O-N 3.29Å; I224-H226 PolarHBondContact O-N 3.42Å; I224-Q227 PolarHBondContact O-N 3.49Å
225K79.6Confident83.7Confident123 Ų12369.7 Ų69.754%0.53536%0.363SS..Hα-helixtrans-62.8-28.4175.4-70.9169.4-170.41710113S221 N222 L223S221-K225 WeakPolarHBondContact O-CD 3.24Å; S221-K225 VanDerWaalsContact O-CG 3.24Å; S221-K225 WeakPolarHBondContact O-CG 3.33Å; S221-K225 PolarHBondContact O-N 3.36Å; N222-K225 PolarHBondContact O-N 2.77Å; L223-K225 VanDerWaalsContact C-N 3.34Å; L223-K225 PolarHBondContact O-N 3.2Å
226H86.2Confident83.5Confident13 Ų1367.4 Ų67.46%0.0635%0.353CS..Hα-helixtrans-76.8-38177.5169.564.1000112C213 F217 N222 L223 I224 V228 I229 H230C213-H226 PolarHBondContact SG-NE2 3.33Å; F217-H226 HydrophobicContact CE1-CB 3.98Å; F217-H226 HydrophobicContact CE2-CB 3.83Å; F217-H226 AromaticContact CE2-CD2 3.35Å; F217-H226 WeakPolarHBondContact CE2-CD2 3.49Å; F217-H226 AromaticContact CE2-CG 3.62Å; F217-H226 HydrophobicContact CZ-CB 3.39Å; F217-H226 AromaticContact CZ-CD2 3.4Å; F217-H226 WeakPolarHBondContact CZ-CD2 3.38Å; F217-H226 AromaticContact CZ-CG 3.2Å; F217-H226 AromaticContact CZ-ND1 3.77Å; N222-H226 VanDerWaalsContact O-CB 3.29Å; N222-H226 WeakPolarHBondContact O-CB 3.42Å; N222-H226 PolarHBondContact O-N 3.5Å; L223-H226 CarbonylContact O-C 3.18Å; L223-H226 WeakPolarHBondContact O-CA 3.41Å; L223-H226 VanDerWaalsContact O-CB 3.31Å; L223-H226 WeakPolarHBondContact O-CB 3.42Å; L223-H226 PolarHBondContact O-N 3.38Å; I224-H226 PolarHBondContact O-N 3.42Å; H226-V228 PolarHBondContact O-N 3.25Å; H226-I229 WeakPolarHBondContact O-CB 3.44Å; H226-I229 VanDerWaalsContact O-CG1 3.3Å; H226-I229 WeakPolarHBondContact O-CG1 3.3Å; H226-I229 PolarHBondContact O-N 3.06Å; H226-H230 AromaticContact CE1-NE2 3.67Å; H226-H230 AromaticContact NE2-CD2 3.79Å; H226-H230 AromaticContact NE2-NE2 3.35Å; H226-H230 PolarHBondContact NE2-NE2 3.1Å
227Q81.9Confident83.5Confident67 Ų6767.1 Ų67.131%0.31336%0.357SS..Hα-helixtrans-58.7-29.2178-75.1171.7-40.600112.8L223 I224 I229 H230 S231L223-Q227 HydrophobicContact CD1-CG 4.14Å; L223-Q227 WeakPolarHBondContact O-CG 3.49Å; L223-Q227 PolarHBondContact O-N 2.87Å; I224-Q227 PolarHBondContact O-N 3.49Å; Q227-I229 PolarHBondContact O-N 3.16Å; Q227-H230 WeakPolarHBondContact O-CB 3.16Å; Q227-H230 PolarHBondContact O-N 3.03Å; Q227-S231 PolarHBondContact O-N 3.49Å; Q227-S231 VanDerWaalsContact O-N 3.09Å
228V82.1Confident83.7Confident31 Ų3165.4 Ų65.419%0.18835%0.35CS..THydrogen-bonded Turntrans-57.8-20.9171.5-174.80000112.9H226 G232 E233 R246H226-V228 PolarHBondContact O-N 3.25Å; V228-G232 PolarHBondContact O-N 3.4Å; V228-E233 HydrophobicContact CG1-CB 4.43Å; V228-E233 VanDerWaalsContact CG1-O 3.28Å; V228-E233 WeakPolarHBondContact CG1-O 3.49Å; V228-R246 HydrophobicContact CG1-CB 4.09Å; V228-R246 HydrophobicContact CG1-CG 4.2Å
229I83.8Confident83.9Confident68 Ų6867.5 Ų67.535%0.34938%0.379SS..THydrogen-bonded Turntrans-69.2-39.3174-61.2-179.3000110.9H226 Q227 R246H226-I229 WeakPolarHBondContact O-CB 3.44Å; H226-I229 VanDerWaalsContact O-CG1 3.3Å; H226-I229 WeakPolarHBondContact O-CG1 3.3Å; H226-I229 PolarHBondContact O-N 3.06Å; Q227-I229 PolarHBondContact O-N 3.16Å; I229-R246 PolarHBondContact O-NH2 2.87Å; I229-R246 VanDerWaalsContact O-NH2 3.16Å
230H82.7Confident84.1Confident62 Ų6268 Ų6829%0.28739%0.39SS..THydrogen-bonded Turntrans-79.3-45.3-175.9-73.9-78.3000112.4E212 C213 H226 Q227 G232E212-H230 WeakPolarHBondContact CB-ND1 3.39Å; E212-H230 VanDerWaalsContact CD-CB 3.5Å; E212-H230 WeakPolarHBondContact OE1-CB 3.39Å; E212-H230 IonicContact OE1-CG 2.63Å; E212-H230 WeakPolarHBondContact OE2-CB 3.44Å; E212-H230 IonicContact OE2-CG 2.99Å; E212-H230 IonicContact OE2-ND1 3.03Å; E212-H230 PolarHBondContact OE2-ND1 3.29Å; C213-H230 PolarHBondContact SG-NE2 3.14Å; C213-H230 VanDerWaalsContact SG-NE2 3.43Å; H226-H230 AromaticContact CE1-NE2 3.67Å; H226-H230 AromaticContact NE2-CD2 3.79Å; H226-H230 AromaticContact NE2-NE2 3.35Å; H226-H230 PolarHBondContact NE2-NE2 3.1Å; Q227-H230 WeakPolarHBondContact O-CB 3.16Å; Q227-H230 PolarHBondContact O-N 3.03Å; H230-G232 PolarHBondContact O-N 2.99Å; H230-G232 VanDerWaalsContact O-N 3.09Å
231S79.9Confident84.4Confident63 Ų6367.9 Ų67.944%0.44139%0.388SS..SBendtrans-63.6-18175.867.20000113.1Q227 E233Q227-S231 PolarHBondContact O-N 3.49Å; Q227-S231 VanDerWaalsContact O-N 3.09Å; S231-E233 PolarHBondContact O-N 3.3Å; S231-E233 WeakPolarHBondContact OG-CB 3.43Å; S231-E233 WeakPolarHBondContact OG-CG 3.4Å; S231-E233 PolarHBondContact OG-N 3.47Å
232G80Confident84.6Confident39 Ų3967.9 Ų67.940%0.40240%0.396SS..  trans71.1-3.3-176.600000113.7V228 H230 R234V228-G232 PolarHBondContact O-N 3.4Å; H230-G232 PolarHBondContact O-N 2.99Å; H230-G232 VanDerWaalsContact O-N 3.09Å; G232-R234 PolarHBondContact O-N 3.49Å
233E80.6Confident84.6Confident117 Ų11771 Ų7155%0.54741%0.407SS..  trans-57.4136.4-179.9-70.6178.1176.900111.1V228 S231V228-E233 HydrophobicContact CG1-CB 4.43Å; V228-E233 VanDerWaalsContact CG1-O 3.28Å; V228-E233 WeakPolarHBondContact CG1-O 3.49Å; S231-E233 PolarHBondContact O-N 3.3Å; S231-E233 WeakPolarHBondContact OG-CB 3.43Å; S231-E233 WeakPolarHBondContact OG-CG 3.4Å; S231-E233 PolarHBondContact OG-N 3.47Å
234R80.9Confident84.6Confident132 Ų13274.1 Ų74.150%0.49842%0.423SS..  trans-132.878.1176.9-65.3178.7-178.5-162.57.7108.8G232 F236 L244 F245 R246G232-R234 PolarHBondContact O-N 3.49Å; R234-F236 PolarHBondContact O-N 2.93Å; R234-F236 VanDerWaalsContact O-N 3.07Å; R234-L244 HydrophobicContact CB-CB 3.42Å; R234-L244 VanDerWaalsContact CB-CB 3.42Å; R234-L244 HydrophobicContact CB-CD1 4.38Å; R234-L244 WeakPolarHBondContact CD-O 3.33Å; R234-L244 HydrophobicContact CG-CB 4.26Å; R234-L244 PolarHBondContact NH1-O 2.78Å; R234-F245 CarbonylContact C-O 3.38Å; R234-F245 VanDerWaalsContact CA-O 3.29Å; R234-F245 WeakPolarHBondContact CA-O 3.5Å; R234-R246 HydrophobicContact CG-CG 3.9Å
235P80.6Confident84.6Confident86 Ų8671 Ų7156%0.55841%0.406SS*.  trans-66.4-14.3-168.9-22.434.6000114.5
236F85.3Confident84.6Confident75 Ų7569.8 Ų69.833%0.32940%0.398SS..EExtended strand (participates in β ladder)trans-108.2107.3-171.2-55.1-78.9000110.2R234 L244 F245 R247 L251R234-F236 PolarHBondContact O-N 2.93Å; R234-F236 VanDerWaalsContact O-N 3.07Å; F236-L244 CarbonylContact O-C 3.52Å; F236-L244 WeakPolarHBondContact O-CA 3.24Å; F236-F245 HydrophobicContact CB-CB 4.21Å; F236-F245 WeakPolarHBondContact CD2-O 3.17Å; F236-F245 PolarHBondContact N-O 2.8Å; F236-F245 PolarHBondContact O-N 3.33Å; F236-R247 VanDerWaalsContact CD2-C 3.45Å; F236-L251 HydrophobicContact CB-CB 4.2Å; F236-L251 HydrophobicContact CB-CD2 3.96Å
237A88.7Confident84.4Confident57 Ų5776.1 Ų76.147%0.47142%0.422SS..EExtended strand (participates in β ladder)trans-95.6142178.400000112.1L244 L251A237-L244 HydrophobicContact CB-CD2 3.48Å; A237-L244 VanDerWaalsContact CB-CD2 3.48Å; A237-L251 WeakPolarHBondContact O-CD2 3.35Å
238C91Very high84.4Confident5 Ų576.4 Ų76.43%0.03443%0.431CS..  trans-80.5123.9168.3-173.80000110.1D240 G242 K243 F245 L251C238-D240 VanDerWaalsContact C-N 3.28Å; C238-D240 PolarHBondContact O-N 3.15Å; C238-G242 VanDerWaalsContact O-CA 3.24Å; C238-G242 WeakPolarHBondContact O-CA 3.39Å; C238-G242 PolarHBondContact O-N 3.32Å; C238-K243 HydrophobicContact CB-CB 4.44Å; C238-K243 PolarHBondContact N-O 3.16Å; C238-F245 HydrophobicContact CB-CE2 4.21Å; C238-L251 HydrophobicContact CB-CD1 3.69Å
239G90.1Very high84.4Confident81 Ų8180.5 Ų80.584%0.83545%0.446SS*.THydrogen-bonded Turntrans-61.8-34.9177.300000113.1
240D88.3Confident84.5Confident116 Ų11678.7 Ų78.762%0.6244%0.441SS*.THydrogen-bonded Turntrans-81.5-26.8-172.3-55.3-33.9000114C238 H258C238-D240 VanDerWaalsContact C-N 3.28Å; C238-D240 PolarHBondContact O-N 3.15Å; D240-H258 HydrophobicContact CB-CB 4.35Å; D240-H258 VanDerWaalsContact OD2-CB 3.3Å; D240-H258 WeakPolarHBondContact OD2-CB 3.4Å; D240-H258 IonicContact OD2-CD2 3.9Å; D240-H258 PolarHBondContact OD2-CD2 2.91Å; D240-H258 IonicContact OD2-CG 3.41Å
241C90.3Very high84.7Confident53 Ų5377.6 Ų77.636%0.35844%0.437SS..THydrogen-bonded Turntrans-1407.7-175.769.70000115.3K243 H254 H258C241-K243 PolarHBondContact O-N 2.85Å; C241-H254 PolarHBondContact SG-NE2 3.47Å; C241-H258 PolarHBondContact SG-NE2 3.08Å
242G86.8Confident85.1Confident51 Ų5179.8 Ų79.853%0.52644%0.444SS..  trans66.72178.100000115.3C238 L244C238-G242 VanDerWaalsContact O-CA 3.24Å; C238-G242 WeakPolarHBondContact O-CA 3.39Å; C238-G242 PolarHBondContact O-N 3.32Å; G242-L244 PolarHBondContact O-N 3.1Å
243K87.4Confident85.4Confident124 Ų12479.6 Ų79.654%0.53943%0.432SS..  trans-64.7132.3-179.6-77.2178-174.6162.30111C238 C241 F245C238-K243 HydrophobicContact CB-CB 4.44Å; C238-K243 PolarHBondContact N-O 3.16Å; C241-K243 PolarHBondContact O-N 2.85Å; K243-F245 HydrophobicContact CB-CE2 3.81Å; K243-F245 HydrophobicContact CB-CZ 4.07Å; K243-F245 WeakPolarHBondContact O-CD2 2.95Å; K243-F245 VanDerWaalsContact O-CE2 3.26Å; K243-F245 WeakPolarHBondContact O-CE2 3.14Å
244L86.4Confident85.8Confident87 Ų8775 Ų7546%0.45541%0.411SS..EExtended strand (participates in β ladder)trans-97.8140.3-178.8-52.1178.7000112.1R234 F236 A237 G242R234-L244 HydrophobicContact CB-CB 3.42Å; R234-L244 VanDerWaalsContact CB-CB 3.42Å; R234-L244 HydrophobicContact CB-CD1 4.38Å; R234-L244 WeakPolarHBondContact CD-O 3.33Å; R234-L244 HydrophobicContact CG-CB 4.26Å; R234-L244 PolarHBondContact NH1-O 2.78Å; F236-L244 CarbonylContact O-C 3.52Å; F236-L244 WeakPolarHBondContact O-CA 3.24Å; A237-L244 HydrophobicContact CB-CD2 3.48Å; A237-L244 VanDerWaalsContact CB-CD2 3.48Å; G242-L244 PolarHBondContact O-N 3.1Å
245F84.7Confident86.1Confident42 Ų4270.3 Ų70.318%0.18440%0.401CS..EExtended strand (participates in β ladder)trans-126.1148.2-178.3-61.7-90.1000111.4R234 F236 C238 K243 A250 L251 H254R234-F245 CarbonylContact C-O 3.38Å; R234-F245 VanDerWaalsContact CA-O 3.29Å; R234-F245 WeakPolarHBondContact CA-O 3.5Å; F236-F245 HydrophobicContact CB-CB 4.21Å; F236-F245 WeakPolarHBondContact CD2-O 3.17Å; F236-F245 PolarHBondContact N-O 2.8Å; F236-F245 PolarHBondContact O-N 3.33Å; C238-F245 HydrophobicContact CB-CE2 4.21Å; K243-F245 HydrophobicContact CB-CE2 3.81Å; K243-F245 HydrophobicContact CB-CZ 4.07Å; K243-F245 WeakPolarHBondContact O-CD2 2.95Å; K243-F245 VanDerWaalsContact O-CE2 3.26Å; K243-F245 WeakPolarHBondContact O-CE2 3.14Å; F245-A250 HydrophobicContact CB-CB 4.44Å; F245-A250 HydrophobicContact CD1-CB 3.98Å; F245-L251 HydrophobicContact CB-CB 4.25Å; F245-L251 HydrophobicContact CD2-CB 3.92Å; F245-L251 HydrophobicContact CD2-CD1 3.84Å; F245-L251 HydrophobicContact CD2-CG 4.48Å; F245-L251 HydrophobicContact CE2-CD1 4Å; F245-L251 HydrophobicContact CG-CB 4.14Å; F245-H254 HydrophobicContact CE1-CB 3.73Å; F245-H254 AromaticContact CE1-CG 3.96Å; F245-H254 HydrophobicContact CE2-CB 3.98Å; F245-H254 AromaticContact CE2-CD2 3.31Å; F245-H254 WeakPolarHBondContact CE2-CD2 3.16Å; F245-H254 AromaticContact CE2-CG 3.73Å; F245-H254 HydrophobicContact CZ-CB 3.37Å; F245-H254 AromaticContact CZ-CD2 3.21Å; F245-H254 WeakPolarHBondContact CZ-CD2 3.43Å; F245-H254 AromaticContact CZ-CG 3.14Å; F245-H254 AromaticContact CZ-ND1 3.82Å; F245-H254 AromaticContact CZ-NE2 3.85Å
246R79.9Confident86.6Confident96 Ų9668.1 Ų68.136%0.36238%0.381SS..SBendtrans-80.5-15.9176.3-64.2-174175.3146.5-6.9113.7V228 I229 R234V228-R246 HydrophobicContact CG1-CB 4.09Å; V228-R246 HydrophobicContact CG1-CG 4.2Å; I229-R246 PolarHBondContact O-NH2 2.87Å; I229-R246 VanDerWaalsContact O-NH2 3.16Å; R234-R246 HydrophobicContact CG-CG 3.9Å
247R80.4Confident86.9Confident147 Ų14769.5 Ų69.556%0.55540%0.395SS*.SBendtrans-139.6139.6-174.9-60.7-179.4-171.8166.32109.9F236 F249 A250 L251F236-R247 VanDerWaalsContact CD2-C 3.45Å; R247-F249 PolarHBondContact O-N 2.92Å; R247-A250 HydrophobicContact CB-CB 4.32Å; R247-A250 WeakPolarHBondContact O-CB 3.24Å; R247-A250 PolarHBondContact O-N 3.32Å; R247-A250 VanDerWaalsContact O-N 3.12Å; R247-L251 PolarHBondContact O-N 3.39Å
248S82.3Confident87Confident73 Ų7370.4 Ų70.451%0.5139%0.39SS..Hα-helixtrans-58.9-44.4178.557.50000113.1A250 L251 L252S248-A250 PolarHBondContact O-N 2.88Å; S248-L251 WeakPolarHBondContact O-CB 3.49Å; S248-L251 PolarHBondContact O-N 3.26Å; S248-L251 VanDerWaalsContact O-N 3.1Å; S248-L252 PolarHBondContact O-N 2.86Å
249F81.6Confident86.9Confident116 Ų11673.5 Ų73.551%0.50941%0.412SS..Hα-helixtrans-58.2-36.4176.1146.3-95.6000112.6R247 L251 L252 E253R247-F249 PolarHBondContact O-N 2.92Å; F249-L251 VanDerWaalsContact C-N 3.32Å; F249-L252 PolarHBondContact O-N 3.04Å; F249-E253 HydrophobicContact CD2-CG 3.97Å; F249-E253 HydrophobicContact CE2-CG 3.4Å; F249-E253 VanDerWaalsContact CE2-CG 3.4Å; F249-E253 WeakPolarHBondContact CE2-OE1 3.47Å; F249-E253 HydrophobicContact CZ-CG 3.76Å; F249-E253 WeakPolarHBondContact CZ-OE1 3.4Å; F249-E253 PolarHBondContact O-N 2.96Å
250A85.9Confident86.9Confident30 Ų3072.1 Ų72.125%0.24840%0.397CS..Hα-helixtrans-69.7-34.2179.200000111.6F245 R247 S248 H254F245-A250 HydrophobicContact CB-CB 4.44Å; F245-A250 HydrophobicContact CD1-CB 3.98Å; R247-A250 HydrophobicContact CB-CB 4.32Å; R247-A250 WeakPolarHBondContact O-CB 3.24Å; R247-A250 PolarHBondContact O-N 3.32Å; R247-A250 VanDerWaalsContact O-N 3.12Å; S248-A250 PolarHBondContact O-N 2.88Å; A250-H254 VanDerWaalsContact O-CB 3.28Å; A250-H254 WeakPolarHBondContact O-CB 3.31Å; A250-H254 PolarHBondContact O-N 2.96Å
251L88.6Confident87Confident39 Ų3972 Ų7220%0.20439%0.393CS..Hα-helixtrans-64.6-46.4170169.262.3000110.9F236 A237 C238 F245 R247 S248 F249 E253 H254 A255F236-L251 HydrophobicContact CB-CB 4.2Å; F236-L251 HydrophobicContact CB-CD2 3.96Å; A237-L251 WeakPolarHBondContact O-CD2 3.35Å; C238-L251 HydrophobicContact CB-CD1 3.69Å; F245-L251 HydrophobicContact CB-CB 4.25Å; F245-L251 HydrophobicContact CD2-CB 3.92Å; F245-L251 HydrophobicContact CD2-CD1 3.84Å; F245-L251 HydrophobicContact CD2-CG 4.48Å; F245-L251 HydrophobicContact CE2-CD1 4Å; F245-L251 HydrophobicContact CG-CB 4.14Å; R247-L251 PolarHBondContact O-N 3.39Å; S248-L251 WeakPolarHBondContact O-CB 3.49Å; S248-L251 PolarHBondContact O-N 3.26Å; S248-L251 VanDerWaalsContact O-N 3.1Å; F249-L251 VanDerWaalsContact C-N 3.32Å; L251-E253 VanDerWaalsContact C-N 3.35Å; L251-E253 PolarHBondContact O-N 3.5Å; L251-H254 CarbonylContact O-C 3.22Å; L251-H254 WeakPolarHBondContact O-CA 3.29Å; L251-H254 WeakPolarHBondContact O-CB 3.4Å; L251-H254 PolarHBondContact O-N 3.26Å; L251-A255 PolarHBondContact O-N 3.2Å
252L86.9Confident87Confident110 Ų11076.4 Ų76.458%0.57640%0.402SS*.Hα-helixtrans-60.6-42.9178.5-176.865000112.1S248 F249 H254 A255S248-L252 PolarHBondContact O-N 2.86Å; F249-L252 PolarHBondContact O-N 3.04Å; L252-H254 VanDerWaalsContact C-N 3.3Å; L252-H254 PolarHBondContact O-N 3.19Å; L252-A255 PolarHBondContact O-N 3.45Å
253E86.2Confident87.2Confident34 Ų3477.7 Ų77.716%0.15940%0.401CS..Hα-helixtrans-64.3-36.4173-74.5-160.2149.400112.7F249 L251 R256 R275F249-E253 HydrophobicContact CD2-CG 3.97Å; F249-E253 HydrophobicContact CE2-CG 3.4Å; F249-E253 VanDerWaalsContact CE2-CG 3.4Å; F249-E253 WeakPolarHBondContact CE2-OE1 3.47Å; F249-E253 HydrophobicContact CZ-CG 3.76Å; F249-E253 WeakPolarHBondContact CZ-OE1 3.4Å; F249-E253 PolarHBondContact O-N 2.96Å; L251-E253 VanDerWaalsContact C-N 3.35Å; L251-E253 PolarHBondContact O-N 3.5Å; E253-R256 WeakPolarHBondContact O-CB 3.25Å; E253-R256 PolarHBondContact O-N 3.09Å; E253-R275 IonicContact OE1-NE 3.91Å; E253-R275 IonicContact OE2-CZ 3.77Å; E253-R275 IonicContact OE2-NE 3.08Å; E253-R275 PolarHBondContact OE2-NE 2.9Å; E253-R275 IonicContact OE2-NH2 2.82Å; E253-R275 PolarHBondContact OE2-NH2 3.09Å
254H89.7Confident87.4Confident21 Ų2175.4 Ų75.410%0.09739%0.39CS..Hα-helixtrans-68.7-37.7178.1171.360.3000112.3C241 F245 A250 L251 L252 R256 V257 H258C241-H254 PolarHBondContact SG-NE2 3.47Å; F245-H254 HydrophobicContact CE1-CB 3.73Å; F245-H254 AromaticContact CE1-CG 3.96Å; F245-H254 HydrophobicContact CE2-CB 3.98Å; F245-H254 AromaticContact CE2-CD2 3.31Å; F245-H254 WeakPolarHBondContact CE2-CD2 3.16Å; F245-H254 AromaticContact CE2-CG 3.73Å; F245-H254 HydrophobicContact CZ-CB 3.37Å; F245-H254 AromaticContact CZ-CD2 3.21Å; F245-H254 WeakPolarHBondContact CZ-CD2 3.43Å; F245-H254 AromaticContact CZ-CG 3.14Å; F245-H254 AromaticContact CZ-ND1 3.82Å; F245-H254 AromaticContact CZ-NE2 3.85Å; A250-H254 VanDerWaalsContact O-CB 3.28Å; A250-H254 WeakPolarHBondContact O-CB 3.31Å; A250-H254 PolarHBondContact O-N 2.96Å; L251-H254 CarbonylContact O-C 3.22Å; L251-H254 WeakPolarHBondContact O-CA 3.29Å; L251-H254 WeakPolarHBondContact O-CB 3.4Å; L251-H254 PolarHBondContact O-N 3.26Å; L252-H254 VanDerWaalsContact C-N 3.3Å; L252-H254 PolarHBondContact O-N 3.19Å; H254-R256 PolarHBondContact O-N 3.07Å; H254-R256 VanDerWaalsContact O-N 3.11Å; H254-V257 WeakPolarHBondContact O-CB 3.46Å; H254-V257 WeakPolarHBondContact O-CG2 3.47Å; H254-V257 PolarHBondContact O-N 3.26Å; H254-H258 AromaticContact CE1-NE2 3.65Å; H254-H258 AromaticContact NE2-CD2 3.99Å; H254-H258 AromaticContact NE2-NE2 3.31Å; H254-H258 PolarHBondContact NE2-NE2 3.26Å
255A88Confident87.8Confident34 Ų3474.2 Ų74.228%0.28139%0.392SS..Hα-helixtrans-55.5-29.8177.100000112.2L251 L252 V257 H258 S259L251-A255 PolarHBondContact O-N 3.2Å; L252-A255 PolarHBondContact O-N 3.45Å; A255-V257 PolarHBondContact O-N 2.88Å; A255-V257 VanDerWaalsContact O-N 3.12Å; A255-H258 WeakPolarHBondContact O-CB 3.38Å; A255-H258 PolarHBondContact O-N 2.89Å; A255-S259 PolarHBondContact O-N 3.27Å
256R90.6Very high88.3Confident39 Ų3972.3 Ų72.315%0.14738%0.384CS..Hα-helixtrans-61.1-20.1173.7-58.7179.9-173.8152.35114.2E253 H254 H258 S259 G260 E261 S274E253-R256 WeakPolarHBondContact O-CB 3.25Å; E253-R256 PolarHBondContact O-N 3.09Å; H254-R256 PolarHBondContact O-N 3.07Å; H254-R256 VanDerWaalsContact O-N 3.11Å; R256-H258 VanDerWaalsContact C-N 3.31Å; R256-S259 WeakPolarHBondContact CA-OG 3.21Å; R256-G260 WeakPolarHBondContact O-CA 3.49Å; R256-G260 PolarHBondContact O-N 3.4Å; R256-E261 HydrophobicContact CB-CB 4.45Å; R256-E261 HydrophobicContact CG-CB 4.35Å; R256-E261 PolarHBondContact O-N 3.41Å; R256-S274 PolarHBondContact NH1-O 3.43Å
257V90.6Very high88.8Confident104 Ų10472.9 Ų72.963%0.6340%0.4SS*.Hα-helixtrans-70.9-32.6173.7-178.90000110.7H254 A255H254-V257 WeakPolarHBondContact O-CB 3.46Å; H254-V257 WeakPolarHBondContact O-CG2 3.47Å; H254-V257 PolarHBondContact O-N 3.26Å; A255-V257 PolarHBondContact O-N 2.88Å; A255-V257 VanDerWaalsContact O-N 3.12Å
258H90.3Very high89.3Confident77 Ų7771 Ų7136%0.35640%0.398SS..Hα-helixtrans-82.6-46.3178.2-62.9-65.4000111.5D240 C241 H254 A255 R256 G260D240-H258 HydrophobicContact CB-CB 4.35Å; D240-H258 VanDerWaalsContact OD2-CB 3.3Å; D240-H258 WeakPolarHBondContact OD2-CB 3.4Å; D240-H258 IonicContact OD2-CD2 3.9Å; D240-H258 PolarHBondContact OD2-CD2 2.91Å; D240-H258 IonicContact OD2-CG 3.41Å; C241-H258 PolarHBondContact SG-NE2 3.08Å; H254-H258 AromaticContact CE1-NE2 3.65Å; H254-H258 AromaticContact NE2-CD2 3.99Å; H254-H258 AromaticContact NE2-NE2 3.31Å; H254-H258 PolarHBondContact NE2-NE2 3.26Å; A255-H258 WeakPolarHBondContact O-CB 3.38Å; A255-H258 PolarHBondContact O-N 2.89Å; R256-H258 VanDerWaalsContact C-N 3.31Å; H258-G260 VanDerWaalsContact C-N 3.27Å; H258-G260 PolarHBondContact O-N 2.63Å
259S89.4Confident89.9Confident70 Ų7070.1 Ų70.149%0.4939%0.391SS..Hα-helixtrans-73.6-17.617965.50000113.9A255 R256 E261A255-S259 PolarHBondContact O-N 3.27Å; R256-S259 WeakPolarHBondContact CA-OG 3.21Å; S259-E261 PolarHBondContact O-N 2.74Å; S259-E261 WeakPolarHBondContact OG-CB 3.28Å; S259-E261 WeakPolarHBondContact OG-CG 3.38Å; S259-E261 PolarHBondContact OG-N 3.17Å
260G89.4Confident90.3Very high52 Ų5267.3 Ų67.354%0.53639%0.394SS..  trans71.37-173.900000113.9R256 H258 R262R256-G260 WeakPolarHBondContact O-CA 3.49Å; R256-G260 PolarHBondContact O-N 3.4Å; H258-G260 VanDerWaalsContact C-N 3.27Å; H258-G260 PolarHBondContact O-N 2.63Å; G260-R262 PolarHBondContact O-N 3.39Å
261E90.6Very high90.7Very high112 Ų11272 Ų7252%0.52341%0.409SS..  trans-59.9128.5179.3-78.2-179.2-175.800112.1R256 S259R256-E261 HydrophobicContact CB-CB 4.45Å; R256-E261 HydrophobicContact CG-CB 4.35Å; R256-E261 PolarHBondContact O-N 3.41Å; S259-E261 PolarHBondContact O-N 2.74Å; S259-E261 WeakPolarHBondContact OG-CB 3.28Å; S259-E261 WeakPolarHBondContact OG-CG 3.38Å; S259-E261 PolarHBondContact OG-N 3.17Å
262R91.3Very high90.9Very high147 Ų14771.3 Ų71.356%0.55541%0.41SS*.  trans-12976.4177.5-66170.782.5157.73109.6G260 Y264 A272 F273G260-R262 PolarHBondContact O-N 3.39Å; R262-Y264 PolarHBondContact O-N 3.31Å; R262-Y264 VanDerWaalsContact O-N 3.07Å; R262-A272 HydrophobicContact CB-CB 3.48Å; R262-A272 VanDerWaalsContact CB-CB 3.48Å; R262-A272 PolarHBondContact NE-O 2.94Å; R262-A272 PolarHBondContact NH2-O 2.86Å; R262-F273 CarbonylContact C-O 3.55Å; R262-F273 VanDerWaalsContact C-O 3.23Å; R262-F273 VanDerWaalsContact CA-O 3.29Å; R262-F273 WeakPolarHBondContact CA-O 3.49Å
263P90.3Very high91.1Very high77 Ų7767.8 Ų67.850%0.539%0.389SS..  trans-65.2-15.9-171.9-22.134.4000114.4
264Y93.1Very high91.2Very high77 Ų7768 Ų6830%0.30240%0.395SS..EExtended strand (participates in β ladder)trans-106.591.2-171.1-55.3-73.8000110.6R262 A272 F273 S276R262-Y264 PolarHBondContact O-N 3.31Å; R262-Y264 VanDerWaalsContact O-N 3.07Å; Y264-A272 CarbonylContact O-C 3.51Å; Y264-A272 WeakPolarHBondContact O-CA 3.46Å; Y264-F273 WeakPolarHBondContact CB-O 3.46Å; Y264-F273 WeakPolarHBondContact CD2-O 3.42Å; Y264-F273 PolarHBondContact N-O 3.05Å; Y264-F273 VanDerWaalsContact N-O 3.11Å; Y264-F273 PolarHBondContact O-N 3.35Å; Y264-S276 VanDerWaalsContact CD2-N 3.35Å
265A94.2Very high91Very high61 Ų6172.1 Ų72.150%0.50441%0.409SS..EExtended strand (participates in β ladder)trans-85.3139.2177.200000112.6
266C93.9Very high91.1Very high2 Ų273.2 Ų73.21%0.01442%0.415CS..  trans-77.4122.6169-177.50000109.6E268 G270 K271 L279C266-E268 PolarHBondContact O-N 3.2Å; C266-G270 VanDerWaalsContact O-CA 3.24Å; C266-G270 WeakPolarHBondContact O-CA 3.24Å; C266-G270 PolarHBondContact O-N 2.93Å; C266-K271 VanDerWaalsContact CB-O 3.31Å; C266-K271 WeakPolarHBondContact CB-O 3.28Å; C266-K271 PolarHBondContact N-O 3.13Å; C266-L279 HydrophobicContact CB-CD1 3.73Å
267P91.9Very high90.8Very high108 Ų10874.4 Ų74.470%0.70143%0.429SS*.THydrogen-bonded Turntrans-67.7-24.5179.526.7-33.4000112.8
268E91.4Very high90.7Very high108 Ų10872.2 Ų72.251%0.50541%0.414SS..THydrogen-bonded Turntrans-84.8-30.3-174.2-62.8177.5-140.100113.6C266 H286C266-E268 PolarHBondContact O-N 3.2Å; E268-H286 WeakPolarHBondContact OE2-CB 3.41Å; E268-H286 IonicContact OE2-CD2 3.4Å; E268-H286 IonicContact OE2-CG 3.49Å; E268-H286 IonicContact OE2-ND1 3.85Å
269C93.3Very high90.7Very high54 Ų5469.6 Ų69.637%0.36540%0.403SS..THydrogen-bonded Turntrans-134.97.4-178.670.60000115K271 H282 H286C269-K271 PolarHBondContact O-N 3.41Å; C269-H282 PolarHBondContact SG-NE2 3.22Å; C269-H286 PolarHBondContact SG-NE2 2.82Å; C269-H286 VanDerWaalsContact SG-NE2 3.43Å
270G90.9Very high90.7Very high57 Ų5770.5 Ų70.559%0.58840%0.401SS*.  trans69-3.6179.200000115.2C266 A272C266-G270 VanDerWaalsContact O-CA 3.24Å; C266-G270 WeakPolarHBondContact O-CA 3.24Å; C266-G270 PolarHBondContact O-N 2.93Å; G270-A272 PolarHBondContact O-N 3.45Å
271K93.1Very high90.5Very high128 Ų12871.2 Ų71.256%0.55739%0.391SS*.  trans-64.9122.6179.3-74.9179.7-177.7171.90110.7C266 C269 F273C266-K271 VanDerWaalsContact CB-O 3.31Å; C266-K271 WeakPolarHBondContact CB-O 3.28Å; C266-K271 PolarHBondContact N-O 3.13Å; C269-K271 PolarHBondContact O-N 3.41Å; K271-F273 HydrophobicContact CB-CE2 4.06Å; K271-F273 HydrophobicContact CB-CZ 4.21Å; K271-F273 VanDerWaalsContact O-CE2 3.26Å; K271-F273 WeakPolarHBondContact O-CE2 3.35Å
272A93.4Very high90.4Very high26 Ų2667.2 Ų67.222%0.21537%0.372CS..EExtended strand (participates in β ladder)trans-92.3156179.200000112.7R262 Y264 G270R262-A272 HydrophobicContact CB-CB 3.48Å; R262-A272 VanDerWaalsContact CB-CB 3.48Å; R262-A272 PolarHBondContact NE-O 2.94Å; R262-A272 PolarHBondContact NH2-O 2.86Å; Y264-A272 CarbonylContact O-C 3.51Å; Y264-A272 WeakPolarHBondContact O-CA 3.46Å; G270-A272 PolarHBondContact O-N 3.45Å
273F90.6Very high90.3Very high35 Ų3563 Ų6315%0.15436%0.358CS..EExtended strand (participates in β ladder)trans-137.6150178.5-60.2-90.8000110.6R262 Y264 K271 R275 N278 L279 H282R262-F273 CarbonylContact C-O 3.55Å; R262-F273 VanDerWaalsContact C-O 3.23Å; R262-F273 VanDerWaalsContact CA-O 3.29Å; R262-F273 WeakPolarHBondContact CA-O 3.49Å; Y264-F273 WeakPolarHBondContact CB-O 3.46Å; Y264-F273 WeakPolarHBondContact CD2-O 3.42Å; Y264-F273 PolarHBondContact N-O 3.05Å; Y264-F273 VanDerWaalsContact N-O 3.11Å; Y264-F273 PolarHBondContact O-N 3.35Å; K271-F273 HydrophobicContact CB-CE2 4.06Å; K271-F273 HydrophobicContact CB-CZ 4.21Å; K271-F273 VanDerWaalsContact O-CE2 3.26Å; K271-F273 WeakPolarHBondContact O-CE2 3.35Å; F273-R275 VanDerWaalsContact C-N 3.33Å; F273-N278 HydrophobicContact CB-CB 4.23Å; F273-N278 HydrophobicContact CD1-CB 3.87Å; F273-N278 HydrophobicContact CG-CB 4.25Å; F273-L279 HydrophobicContact CB-CB 4.43Å; F273-L279 HydrophobicContact CD2-CB 3.92Å; F273-L279 HydrophobicContact CD2-CD1 3.94Å; F273-L279 HydrophobicContact CE2-CD1 4.09Å; F273-L279 HydrophobicContact CG-CB 4.37Å; F273-H282 HydrophobicContact CE1-CB 4.08Å; F273-H282 HydrophobicContact CE2-CB 3.86Å; F273-H282 AromaticContact CE2-CD2 3.27Å; F273-H282 WeakPolarHBondContact CE2-CD2 3.42Å; F273-H282 AromaticContact CE2-CG 3.67Å; F273-H282 HydrophobicContact CZ-CB 3.45Å; F273-H282 VanDerWaalsContact CZ-CB 3.45Å; F273-H282 AromaticContact CZ-CD2 3.36Å; F273-H282 WeakPolarHBondContact CZ-CD2 3.41Å; F273-H282 AromaticContact CZ-CG 3.3Å; F273-H282 AromaticContact CZ-ND1 4Å
274S88.7Confident90.1Very high39 Ų3962.1 Ų62.127%0.27335%0.345SS..SBendtrans-80.2-14.3176.756.70000113.5R256R256-S274 PolarHBondContact NH1-O 3.43Å
275R86.6Confident89.8Confident107 Ų10761.5 Ų61.540%0.40435%0.35SS..SBendtrans-132.4139.7177.9-66.8-176.1174.7141.87.3111.1E253 F273 S277 N278 L279E253-R275 IonicContact OE1-NE 3.91Å; E253-R275 IonicContact OE2-CZ 3.77Å; E253-R275 IonicContact OE2-NE 3.08Å; E253-R275 PolarHBondContact OE2-NE 2.9Å; E253-R275 IonicContact OE2-NH2 2.82Å; E253-R275 PolarHBondContact OE2-NH2 3.09Å; F273-R275 VanDerWaalsContact C-N 3.33Å; R275-S277 VanDerWaalsContact C-N 3.33Å; R275-S277 PolarHBondContact O-N 3.42Å; R275-N278 PolarHBondContact O-N 2.81Å; R275-L279 PolarHBondContact O-N 3.03Å
276S89.2Confident89.4Confident57 Ų5762 Ų6240%0.39934%0.341SS..Hα-helixtrans-63.5-36.7177.358.10000112.7Y264 N278 L279 I280Y264-S276 VanDerWaalsContact CD2-N 3.35Å; S276-N278 PolarHBondContact O-N 3.22Å; S276-L279 WeakPolarHBondContact O-CB 3.43Å; S276-L279 PolarHBondContact O-N 3.43Å; S276-L279 VanDerWaalsContact O-N 3.13Å; S276-I280 WeakPolarHBondContact O-CG1 3.25Å; S276-I280 PolarHBondContact O-N 3.07Å
277S85.5Confident89Confident64 Ų6470.3 Ų70.345%0.44837%0.372SS..Hα-helixtrans-57.6-37.1176.559.70000112.5R275 I280 E281R275-S277 VanDerWaalsContact C-N 3.33Å; R275-S277 PolarHBondContact O-N 3.42Å; S277-I280 PolarHBondContact O-N 3.1Å; S277-E281 PolarHBondContact O-N 3.18Å
278N88.1Confident88.6Confident58 Ų5867.5 Ų67.531%0.3136%0.363SS..Hα-helixtrans-73.7-36.2179.8-64.1-1.1000111F273 R275 S276 E281 H282F273-N278 HydrophobicContact CB-CB 4.23Å; F273-N278 HydrophobicContact CD1-CB 3.87Å; F273-N278 HydrophobicContact CG-CB 4.25Å; R275-N278 PolarHBondContact O-N 2.81Å; S276-N278 PolarHBondContact O-N 3.22Å; N278-E281 PolarHBondContact O-N 2.73Å; N278-H282 VanDerWaalsContact O-CB 3.25Å; N278-H282 WeakPolarHBondContact O-CB 3.2Å; N278-H282 PolarHBondContact O-N 3.39Å
279L90.6Very high88.3Confident23 Ų2366.4 Ų66.412%0.1236%0.358CS..Hα-helixtrans-61.5-46.3171.7171.761.6000110.7C266 F273 R275 S276 E281 H282 Q283C266-L279 HydrophobicContact CB-CD1 3.73Å; F273-L279 HydrophobicContact CB-CB 4.43Å; F273-L279 HydrophobicContact CD2-CB 3.92Å; F273-L279 HydrophobicContact CD2-CD1 3.94Å; F273-L279 HydrophobicContact CE2-CD1 4.09Å; F273-L279 HydrophobicContact CG-CB 4.37Å; R275-L279 PolarHBondContact O-N 3.03Å; S276-L279 WeakPolarHBondContact O-CB 3.43Å; S276-L279 PolarHBondContact O-N 3.43Å; S276-L279 VanDerWaalsContact O-N 3.13Å; L279-E281 PolarHBondContact O-N 3.36Å; L279-H282 CarbonylContact O-C 3.35Å; L279-H282 WeakPolarHBondContact O-CB 3.19Å; L279-H282 PolarHBondContact O-N 3.28Å; L279-H282 VanDerWaalsContact O-N 3.14Å; L279-Q283 HydrophobicContact CD1-CG 4.11Å; L279-Q283 WeakPolarHBondContact O-CG 3.35Å; L279-Q283 PolarHBondContact O-N 3.18Å
280I88.3Confident87.9Confident89 Ų8970 Ų7046%0.45637%0.368SS..Hα-helixtrans-61.7-45.1178.4-65.6166.8000110.9S276 S277 H282 Q283 R284S276-I280 WeakPolarHBondContact O-CG1 3.25Å; S276-I280 PolarHBondContact O-N 3.07Å; S277-I280 PolarHBondContact O-N 3.1Å; I280-H282 VanDerWaalsContact C-N 3.28Å; I280-H282 PolarHBondContact O-N 3.03Å; I280-Q283 PolarHBondContact O-N 3.22Å; I280-R284 PolarHBondContact O-N 3.42Å
281E85Confident87.7Confident67 Ų6771 Ų7131%0.31336%0.363SS..Hα-helixtrans-62.2-38.5175.2-171.7-172.5163.300111.6S277 N278 L279 R284 Q306S277-E281 PolarHBondContact O-N 3.18Å; N278-E281 PolarHBondContact O-N 2.73Å; L279-E281 PolarHBondContact O-N 3.36Å; E281-R284 WeakPolarHBondContact O-CB 3.49Å; E281-R284 PolarHBondContact O-N 3.06Å; E281-Q306 PolarHBondContact OE1-NE2 3.42Å
282H88.9Confident87.6Confident27 Ų2768.2 Ų68.213%0.12535%0.35CS..Hα-helixtrans-66.9-40.4176.9171.256.5000112.6C269 F273 N278 L279 I280 R284 T285 H286C269-H282 PolarHBondContact SG-NE2 3.22Å; F273-H282 HydrophobicContact CE1-CB 4.08Å; F273-H282 HydrophobicContact CE2-CB 3.86Å; F273-H282 AromaticContact CE2-CD2 3.27Å; F273-H282 WeakPolarHBondContact CE2-CD2 3.42Å; F273-H282 AromaticContact CE2-CG 3.67Å; F273-H282 HydrophobicContact CZ-CB 3.45Å; F273-H282 VanDerWaalsContact CZ-CB 3.45Å; F273-H282 AromaticContact CZ-CD2 3.36Å; F273-H282 WeakPolarHBondContact CZ-CD2 3.41Å; F273-H282 AromaticContact CZ-CG 3.3Å; F273-H282 AromaticContact CZ-ND1 4Å; N278-H282 VanDerWaalsContact O-CB 3.25Å; N278-H282 WeakPolarHBondContact O-CB 3.2Å; N278-H282 PolarHBondContact O-N 3.39Å; L279-H282 CarbonylContact O-C 3.35Å; L279-H282 WeakPolarHBondContact O-CB 3.19Å; L279-H282 PolarHBondContact O-N 3.28Å; L279-H282 VanDerWaalsContact O-N 3.14Å; I280-H282 VanDerWaalsContact C-N 3.28Å; I280-H282 PolarHBondContact O-N 3.03Å; H282-R284 PolarHBondContact O-N 3.42Å; H282-T285 PolarHBondContact ND1-OG1 3.16Å; H282-T285 WeakPolarHBondContact O-CA 3.35Å; H282-T285 VanDerWaalsContact O-CB 3.3Å; H282-T285 WeakPolarHBondContact O-CB 3.32Å; H282-T285 PolarHBondContact O-N 3.16Å; H282-T285 PolarHBondContact O-OG1 2.83Å; H282-H286 AromaticContact CE1-NE2 3.47Å; H282-H286 PolarHBondContact CE1-NE2 3.49Å; H282-H286 AromaticContact NE2-NE2 3.31Å; H282-H286 PolarHBondContact NE2-NE2 3.36Å
283Q88.5Confident87.5Confident58 Ų5870.3 Ų70.327%0.27137%0.367SS..Hα-helixtrans-58.6-32.8177.2-77.2175.7-41.100112.4L279 I280 T285 H286 R287L279-Q283 HydrophobicContact CD1-CG 4.11Å; L279-Q283 WeakPolarHBondContact O-CG 3.35Å; L279-Q283 PolarHBondContact O-N 3.18Å; I280-Q283 PolarHBondContact O-N 3.22Å; Q283-T285 PolarHBondContact O-N 3.35Å; Q283-T285 VanDerWaalsContact O-N 3.15Å; Q283-H286 PolarHBondContact O-N 2.89Å; Q283-H286 VanDerWaalsContact O-N 3.08Å; Q283-R287 PolarHBondContact O-N 3.06Å
284R87.3Confident87.6Confident59 Ų5969.2 Ų69.222%0.22336%0.364CS..Hα-helixtrans-60-25.3172.9-63.1175.7-175.41611.1113.3I280 E281 H282 H286 G288 E289 K302I280-R284 PolarHBondContact O-N 3.42Å; E281-R284 WeakPolarHBondContact O-CB 3.49Å; E281-R284 PolarHBondContact O-N 3.06Å; H282-R284 PolarHBondContact O-N 3.42Å; R284-H286 VanDerWaalsContact C-N 3.32Å; R284-G288 PolarHBondContact O-N 3.47Å; R284-G288 VanDerWaalsContact O-N 3.08Å; R284-E289 HydrophobicContact CB-CB 4.29Å; R284-E289 HydrophobicContact CG-CB 4.47Å; R284-E289 PolarHBondContact O-N 2.94Å; R284-E289 VanDerWaalsContact O-N 3.14Å; R284-K302 PolarHBondContact NH1-O 3.2Å; R284-K302 VanDerWaalsContact NH1-O 3.08Å
285T86.1Confident87.8Confident65 Ų6571.3 Ų71.340%0.39939%0.392SS..Hα-helixtrans-71.9-27.117868.60000113H282 Q283 K302H282-T285 PolarHBondContact ND1-OG1 3.16Å; H282-T285 WeakPolarHBondContact O-CA 3.35Å; H282-T285 VanDerWaalsContact O-CB 3.3Å; H282-T285 WeakPolarHBondContact O-CB 3.32Å; H282-T285 PolarHBondContact O-N 3.16Å; H282-T285 PolarHBondContact O-OG1 2.83Å; Q283-T285 PolarHBondContact O-N 3.35Å; Q283-T285 VanDerWaalsContact O-N 3.15Å; T285-K302 HydrophobicContact CG2-CD 3.82Å
286H86.8Confident88Confident72 Ų7272.8 Ų72.833%0.33340%0.403SS..Hα-helixtrans-74.8-41.6174.6-68.3-70.1000111.9E268 C269 H282 Q283 R284 G288E268-H286 WeakPolarHBondContact OE2-CB 3.41Å; E268-H286 IonicContact OE2-CD2 3.4Å; E268-H286 IonicContact OE2-CG 3.49Å; E268-H286 IonicContact OE2-ND1 3.85Å; C269-H286 PolarHBondContact SG-NE2 2.82Å; C269-H286 VanDerWaalsContact SG-NE2 3.43Å; H282-H286 AromaticContact CE1-NE2 3.47Å; H282-H286 PolarHBondContact CE1-NE2 3.49Å; H282-H286 AromaticContact NE2-NE2 3.31Å; H282-H286 PolarHBondContact NE2-NE2 3.36Å; Q283-H286 PolarHBondContact O-N 2.89Å; Q283-H286 VanDerWaalsContact O-N 3.08Å; R284-H286 VanDerWaalsContact C-N 3.32Å; H286-G288 VanDerWaalsContact C-N 3.27Å; H286-G288 PolarHBondContact O-N 2.78Å
287R85.1Confident88.1Confident175 Ų17572 Ų7266%0.6640%0.398SS*.Hα-helixtrans-79.3-8.3179.8-59.1-177.2-179.8-169.5-4.6114.1Q283 E289Q283-R287 PolarHBondContact O-N 3.06Å; R287-E289 HydrophobicContact CB-CB 4.48Å; R287-E289 HydrophobicContact CB-CG 3.82Å; R287-E289 WeakPolarHBondContact CD-OE1 3.49Å; R287-E289 IonicContact NH1-OE1 3.6Å; R287-E289 PolarHBondContact NH1-OE1 3.25Å; R287-E289 PolarHBondContact O-N 3.35Å; R287-E289 VanDerWaalsContact O-N 3.16Å
288G83Confident88.4Confident50 Ų5074.4 Ų74.452%0.51542%0.421SS..THydrogen-bonded Turntrans66.19.9-172.300000114.3R284 H286 K290R284-G288 PolarHBondContact O-N 3.47Å; R284-G288 VanDerWaalsContact O-N 3.08Å; H286-G288 VanDerWaalsContact C-N 3.27Å; H286-G288 PolarHBondContact O-N 2.78Å; G288-K290 PolarHBondContact O-N 2.9Å
289E84.9Confident88.5Confident84 Ų8477.9 Ų77.939%0.39343%0.433SS..  trans-63.3123.7-177.9-74.2175.3-16000110.8R284 R287 P291R284-E289 HydrophobicContact CB-CB 4.29Å; R284-E289 HydrophobicContact CG-CB 4.47Å; R284-E289 PolarHBondContact O-N 2.94Å; R284-E289 VanDerWaalsContact O-N 3.14Å; R287-E289 HydrophobicContact CB-CB 4.48Å; R287-E289 HydrophobicContact CB-CG 3.82Å; R287-E289 WeakPolarHBondContact CD-OE1 3.49Å; R287-E289 IonicContact NH1-OE1 3.6Å; R287-E289 PolarHBondContact NH1-OE1 3.25Å; R287-E289 PolarHBondContact O-N 3.35Å; R287-E289 VanDerWaalsContact O-N 3.16Å; E289-P291 WeakPolarHBondContact O-CD 3.4Å
290K86Confident88.5Confident131 Ų13178.2 Ų78.257%0.5744%0.44SS*.  trans-124.776.7175.9-71.2166172.9179.20109.9G288 Y292 A300 F301G288-K290 PolarHBondContact O-N 2.9Å; K290-Y292 PolarHBondContact O-N 3.45Å; K290-A300 HydrophobicContact CB-CB 3.55Å; K290-A300 HydrophobicContact CD-CB 4.21Å; K290-A300 WeakPolarHBondContact CD-O 3.19Å; K290-A300 HydrophobicContact CG-CB 4.45Å; K290-F301 CarbonylContact C-O 3.57Å; K290-F301 WeakPolarHBondContact CA-O 3.48Å
291P86.9Confident88.5Confident76 Ų7675.9 Ų75.949%0.49443%0.426SS..  trans-64.8-15.7-172.5-21.633.9000114.2E289E289-P291 WeakPolarHBondContact O-CD 3.4Å
292Y89.2Confident88.5Confident71 Ų7176.2 Ų76.228%0.27843%0.427SS..EExtended strand (participates in β ladder)trans-10988.7-171.8-52.8-73.2000110.2K290 A300 F301 K302 V304K290-Y292 PolarHBondContact O-N 3.45Å; Y292-A300 CarbonylContact O-C 3.57Å; Y292-A300 WeakPolarHBondContact O-CA 3.4Å; Y292-F301 WeakPolarHBondContact CD2-O 3.39Å; Y292-F301 PolarHBondContact N-O 3.02Å; Y292-F301 PolarHBondContact O-N 3.25Å; Y292-K302 WeakPolarHBondContact CE2-O 3.15Å; Y292-V304 HydrophobicContact CD1-CG2 3.65Å; Y292-V304 HydrophobicContact CE1-CG2 3.27Å; Y292-V304 HydrophobicContact CE2-CG2 4.2Å; Y292-V304 HydrophobicContact CG-CG2 4.26Å
293A91.9Very high88.2Confident70 Ų7075.4 Ų75.458%0.57943%0.426SS*.EExtended strand (participates in β ladder)trans-80.2145.9175.600000111.9A300A293-A300 HydrophobicContact CB-CB 4.36Å
294C93.4Very high88.1Confident11 Ų1176 Ų767%0.07443%0.433CS..  trans-81.1128.8169.9-174.90000110Q296 K299 L307 H310 H314C294-Q296 PolarHBondContact O-N 2.89Å; C294-Q296 PolarHBondContact SG-N 3.45Å; C294-K299 VanDerWaalsContact CB-O 3.3Å; C294-K299 WeakPolarHBondContact CB-O 3.37Å; C294-K299 PolarHBondContact N-O 3.4Å; C294-L307 HydrophobicContact CB-CD1 3.92Å; C294-H310 PolarHBondContact SG-NE2 3.29Å; C294-H314 PolarHBondContact SG-NE2 2.95Å; C294-H314 VanDerWaalsContact SG-NE2 3.4Å
295G92.3Very high88.1Confident84 Ų8477.9 Ų77.987%0.86646%0.456SS*.THydrogen-bonded Turntrans-70.2-14.4175.400000114.6
296Q90.3Very high88.1Confident138 Ų13878 Ų7865%0.64545%0.451SS*.THydrogen-bonded Turntrans-104.6-8.1-176.1-68.8176-17.600113.6C294 H314C294-Q296 PolarHBondContact O-N 2.89Å; C294-Q296 PolarHBondContact SG-N 3.45Å; Q296-H314 PolarHBondContact OE1-CD2 3.25Å
297C93Very high88.4Confident41 Ų4175.6 Ų75.628%0.27744%0.441SS..SBendtrans-160.6166.1174.872.30000111.3K299 H310C297-K299 PolarHBondContact O-N 3.27Å; C297-H310 PolarHBondContact SG-NE2 3.31Å
298A90.8Very high88.6Confident114 Ų11471.1 Ų71.194%0.94243%0.429SS*.SBendtrans-68.26.9-17800000115.8
299K90.7Very high88.9Confident130 Ų13073 Ų7357%0.56542%0.424SS*.  trans-81.3131.1-178.3-67.4179.1179.1172.90111.2C294 C297 F301C294-K299 VanDerWaalsContact CB-O 3.3Å; C294-K299 WeakPolarHBondContact CB-O 3.37Å; C294-K299 PolarHBondContact N-O 3.4Å; C297-K299 PolarHBondContact O-N 3.27Å; K299-F301 HydrophobicContact CB-CE2 3.93Å; K299-F301 HydrophobicContact CB-CZ 3.92Å
300A91.1Very high89.2Confident31 Ų3170 Ų7026%0.25641%0.41SS..EExtended strand (participates in β ladder)trans-120.8151.1173.200000111.8K290 Y292 A293K290-A300 HydrophobicContact CB-CB 3.55Å; K290-A300 HydrophobicContact CD-CB 4.21Å; K290-A300 WeakPolarHBondContact CD-O 3.19Å; K290-A300 HydrophobicContact CG-CB 4.45Å; Y292-A300 CarbonylContact O-C 3.57Å; Y292-A300 WeakPolarHBondContact O-CA 3.4Å; A293-A300 HydrophobicContact CB-CB 4.36Å
301F87.8Confident89.4Confident40 Ų4067.6 Ų67.618%0.17540%0.401CS..EExtended strand (participates in β ladder)trans-128.7156.2-171.5-57.2-89.2000111.7K290 Y292 K299 Q306 L307 H310K290-F301 CarbonylContact C-O 3.57Å; K290-F301 WeakPolarHBondContact CA-O 3.48Å; Y292-F301 WeakPolarHBondContact CD2-O 3.39Å; Y292-F301 PolarHBondContact N-O 3.02Å; Y292-F301 PolarHBondContact O-N 3.25Å; K299-F301 HydrophobicContact CB-CE2 3.93Å; K299-F301 HydrophobicContact CB-CZ 3.92Å; F301-Q306 HydrophobicContact CB-CB 4Å; F301-Q306 HydrophobicContact CD1-CB 3.85Å; F301-Q306 HydrophobicContact CG-CB 4.15Å; F301-L307 HydrophobicContact CB-CB 4.48Å; F301-L307 HydrophobicContact CD2-CB 4.04Å; F301-L307 HydrophobicContact CD2-CD1 3.92Å; F301-L307 HydrophobicContact CE2-CD1 4.13Å; F301-L307 HydrophobicContact CG-CB 4.46Å; F301-H310 HydrophobicContact CE1-CB 3.91Å; F301-H310 HydrophobicContact CE2-CB 3.76Å; F301-H310 AromaticContact CE2-CD2 3.28Å; F301-H310 WeakPolarHBondContact CE2-CD2 3.22Å; F301-H310 AromaticContact CE2-CG 3.58Å; F301-H310 HydrophobicContact CZ-CB 3.33Å; F301-H310 AromaticContact CZ-CD2 3.39Å; F301-H310 WeakPolarHBondContact CZ-CD2 3.46Å; F301-H310 AromaticContact CZ-CG 3.21Å; F301-H310 AromaticContact CZ-ND1 3.9Å
302K83.7Confident89.7Confident73 Ų7366.9 Ų66.932%0.31739%0.389SS..SBendtrans-81.1-16.117961176.6-175.9-176.70114.1R284 T285 Y292 Q306R284-K302 PolarHBondContact NH1-O 3.2Å; R284-K302 VanDerWaalsContact NH1-O 3.08Å; T285-K302 HydrophobicContact CG2-CD 3.82Å; Y292-K302 WeakPolarHBondContact CE2-O 3.15Å; K302-Q306 VanDerWaalsContact CG-OE1 3.23Å
303G83.9Confident89.7Confident10 Ų1065.4 Ų65.410%0.10339%0.389CS..SBendtrans-146.5150.2-178.400000113.4S305 Q306 L307G303-S305 VanDerWaalsContact C-N 3.35Å; G303-S305 PolarHBondContact O-N 2.86Å; G303-Q306 WeakPolarHBondContact O-CB 3.09Å; G303-Q306 PolarHBondContact O-N 2.89Å; G303-L307 PolarHBondContact O-N 2.81Å
304V86.9Confident89.6Confident70 Ų7065.7 Ų65.742%0.42438%0.378SS..Hα-helixtrans-59.5-41.5-178.2-179.90000112.3Y292 Q306 L307 I308Y292-V304 HydrophobicContact CD1-CG2 3.65Å; Y292-V304 HydrophobicContact CE1-CG2 3.27Å; Y292-V304 HydrophobicContact CE2-CG2 4.2Å; Y292-V304 HydrophobicContact CG-CG2 4.26Å; V304-Q306 PolarHBondContact O-N 3.42Å; V304-L307 WeakPolarHBondContact O-CB 3.37Å; V304-L307 PolarHBondContact O-N 2.9Å; V304-L307 VanDerWaalsContact O-N 3.13Å; V304-I308 HydrophobicContact CG1-CD1 3.83Å; V304-I308 HydrophobicContact CG1-CG1 4.24Å; V304-I308 WeakPolarHBondContact O-CG1 3.44Å; V304-I308 PolarHBondContact O-N 3.47Å
305S86.1Confident89.5Confident100 Ų10068.6 Ų68.670%0.69940%0.399SS*.Hα-helixtrans-62.4-31.6-179.5-53.10000112.9G303 H309G303-S305 VanDerWaalsContact C-N 3.35Å; G303-S305 PolarHBondContact O-N 2.86Å; S305-H309 WeakPolarHBondContact O-CB 3.49Å; S305-H309 PolarHBondContact O-N 2.88Å
306Q87.4Confident89.3Confident66 Ų6666.7 Ų66.731%0.30838%0.379SS..Hα-helixtrans-72.6-41.1175.9-66.3163.825.200110.8E281 F301 K302 G303 V304 H309 H310E281-Q306 PolarHBondContact OE1-NE2 3.42Å; F301-Q306 HydrophobicContact CB-CB 4Å; F301-Q306 HydrophobicContact CD1-CB 3.85Å; F301-Q306 HydrophobicContact CG-CB 4.15Å; K302-Q306 VanDerWaalsContact CG-OE1 3.23Å; G303-Q306 WeakPolarHBondContact O-CB 3.09Å; G303-Q306 PolarHBondContact O-N 2.89Å; V304-Q306 PolarHBondContact O-N 3.42Å; Q306-H309 PolarHBondContact O-N 2.82Å; Q306-H310 WeakPolarHBondContact O-CB 3.48Å; Q306-H310 PolarHBondContact O-N 3.35Å
307L91.1Very high89.3Confident22 Ų2265.5 Ų65.512%0.11537%0.373CS..Hα-helixtrans-59.6-48.7173.1173.962.1000111.3C294 F301 G303 V304 H309 H310 Q311C294-L307 HydrophobicContact CB-CD1 3.92Å; F301-L307 HydrophobicContact CB-CB 4.48Å; F301-L307 HydrophobicContact CD2-CB 4.04Å; F301-L307 HydrophobicContact CD2-CD1 3.92Å; F301-L307 HydrophobicContact CE2-CD1 4.13Å; F301-L307 HydrophobicContact CG-CB 4.46Å; G303-L307 PolarHBondContact O-N 2.81Å; V304-L307 WeakPolarHBondContact O-CB 3.37Å; V304-L307 PolarHBondContact O-N 2.9Å; V304-L307 VanDerWaalsContact O-N 3.13Å; L307-H309 VanDerWaalsContact C-N 3.33Å; L307-H309 PolarHBondContact O-N 2.93Å; L307-H310 CarbonylContact O-C 3.23Å; L307-H310 WeakPolarHBondContact O-CB 3.31Å; L307-H310 PolarHBondContact O-N 3.41Å; L307-H310 VanDerWaalsContact O-N 3.13Å; L307-Q311 HydrophobicContact CD1-CG 4.22Å; L307-Q311 WeakPolarHBondContact O-CG 3.49Å; L307-Q311 PolarHBondContact O-N 3.25Å
308I89.8Confident89.2Confident81 Ų8170.3 Ų70.342%0.41539%0.386SS..Hα-helixtrans-60.3-44.4177.8-67171.1000110.8V304 H310 Q311 R312V304-I308 HydrophobicContact CG1-CD1 3.83Å; V304-I308 HydrophobicContact CG1-CG1 4.24Å; V304-I308 WeakPolarHBondContact O-CG1 3.44Å; V304-I308 PolarHBondContact O-N 3.47Å; I308-H310 VanDerWaalsContact C-N 3.28Å; I308-H310 PolarHBondContact O-N 3.07Å; I308-Q311 PolarHBondContact O-N 3.14Å; I308-R312 PolarHBondContact O-N 2.9Å
309H89.1Confident89.2Confident90 Ų9068.3 Ų68.342%0.41736%0.363SS..Hα-helixtrans-62.6-38.6176.9-177.163.6000112S305 Q306 L307 R312S305-H309 WeakPolarHBondContact O-CB 3.49Å; S305-H309 PolarHBondContact O-N 2.88Å; Q306-H309 PolarHBondContact O-N 2.82Å; L307-H309 VanDerWaalsContact C-N 3.33Å; L307-H309 PolarHBondContact O-N 2.93Å; H309-R312 WeakPolarHBondContact O-CB 3.33Å; H309-R312 PolarHBondContact O-N 3.34Å
310H91.1Very high89.4Confident20 Ų2065.1 Ų65.19%0.09335%0.349CS..Hα-helixtrans-67.1-40.9174.9168.557.4000112.4C294 C297 F301 Q306 L307 I308 R312 S313 H314C294-H310 PolarHBondContact SG-NE2 3.29Å; C297-H310 PolarHBondContact SG-NE2 3.31Å; F301-H310 HydrophobicContact CE1-CB 3.91Å; F301-H310 HydrophobicContact CE2-CB 3.76Å; F301-H310 AromaticContact CE2-CD2 3.28Å; F301-H310 WeakPolarHBondContact CE2-CD2 3.22Å; F301-H310 AromaticContact CE2-CG 3.58Å; F301-H310 HydrophobicContact CZ-CB 3.33Å; F301-H310 AromaticContact CZ-CD2 3.39Å; F301-H310 WeakPolarHBondContact CZ-CD2 3.46Å; F301-H310 AromaticContact CZ-CG 3.21Å; F301-H310 AromaticContact CZ-ND1 3.9Å; Q306-H310 WeakPolarHBondContact O-CB 3.48Å; Q306-H310 PolarHBondContact O-N 3.35Å; L307-H310 CarbonylContact O-C 3.23Å; L307-H310 WeakPolarHBondContact O-CB 3.31Å; L307-H310 PolarHBondContact O-N 3.41Å; L307-H310 VanDerWaalsContact O-N 3.13Å; I308-H310 VanDerWaalsContact C-N 3.28Å; I308-H310 PolarHBondContact O-N 3.07Å; H310-R312 PolarHBondContact O-N 2.95Å; H310-R312 VanDerWaalsContact O-N 3.14Å; H310-S313 PolarHBondContact ND1-OG 3.05Å; H310-S313 WeakPolarHBondContact O-CA 3.4Å; H310-S313 VanDerWaalsContact O-CB 3.3Å; H310-S313 WeakPolarHBondContact O-CB 3.47Å; H310-S313 PolarHBondContact O-N 3.16Å; H310-S313 PolarHBondContact O-OG 3.44Å; H310-H314 AromaticContact CE1-CE1 3.86Å; H310-H314 AromaticContact CE1-NE2 3.38Å; H310-H314 PolarHBondContact CE1-NE2 2.97Å; H310-H314 AromaticContact NE2-CD2 3.88Å; H310-H314 AromaticContact NE2-CE1 3.93Å; H310-H314 AromaticContact NE2-NE2 3.08Å; H310-H314 PolarHBondContact NE2-NE2 3.42Å
311Q91.4Very high89.5Confident82 Ų8266.3 Ų66.338%0.38336%0.36SS..Hα-helixtrans-57.7-30.6178.5-76.2171.7-38.100112.6L307 I308 S313 H314 S315L307-Q311 HydrophobicContact CD1-CG 4.22Å; L307-Q311 WeakPolarHBondContact O-CG 3.49Å; L307-Q311 PolarHBondContact O-N 3.25Å; I308-Q311 PolarHBondContact O-N 3.14Å; Q311-S313 PolarHBondContact O-N 3.21Å; Q311-S313 VanDerWaalsContact O-N 3.12Å; Q311-H314 PolarHBondContact O-N 2.97Å; Q311-S315 PolarHBondContact O-N 2.78Å; Q311-S315 VanDerWaalsContact O-N 3.13Å
312R92.3Very high89.8Confident60 Ų6064.7 Ų64.723%0.22635%0.353CS..Hα-helixtrans-61.8-17171.4-62.3178.9-177157.24.8114.2I308 H309 H310 H314 G316 E317 R330I308-R312 PolarHBondContact O-N 2.9Å; H309-R312 WeakPolarHBondContact O-CB 3.33Å; H309-R312 PolarHBondContact O-N 3.34Å; H310-R312 PolarHBondContact O-N 2.95Å; H310-R312 VanDerWaalsContact O-N 3.14Å; R312-H314 VanDerWaalsContact C-N 3.34Å; R312-G316 PolarHBondContact O-N 3.25Å; R312-E317 HydrophobicContact CB-CB 4.49Å; R312-E317 HydrophobicContact CG-CB 4.33Å; R312-R330 HydrophobicContact CB-CG 4.46Å; R312-R330 PolarHBondContact NH1-O 3.4Å; R312-R330 PolarHBondContact O-NE 3.25Å
313S89.6Confident90.2Very high41 Ų4173.3 Ų73.329%0.28738%0.383SS..Hα-helixtrans-74-28.6172.173.40000113.1H310 Q311 R330H310-S313 PolarHBondContact ND1-OG 3.05Å; H310-S313 WeakPolarHBondContact O-CA 3.4Å; H310-S313 VanDerWaalsContact O-CB 3.3Å; H310-S313 WeakPolarHBondContact O-CB 3.47Å; H310-S313 PolarHBondContact O-N 3.16Å; H310-S313 PolarHBondContact O-OG 3.44Å; Q311-S313 PolarHBondContact O-N 3.21Å; Q311-S313 VanDerWaalsContact O-N 3.12Å; S313-R330 VanDerWaalsContact CA-CZ 3.49Å; S313-R330 PolarHBondContact O-NH2 3.02Å
314H90.6Very high90.6Very high75 Ų7578.4 Ų78.435%0.34741%0.405SS..Hα-helixtrans-85.2-45.5178.1-59.7-52.7000111.5C294 Q296 H310 Q311 R312 G316C294-H314 PolarHBondContact SG-NE2 2.95Å; C294-H314 VanDerWaalsContact SG-NE2 3.4Å; Q296-H314 PolarHBondContact OE1-CD2 3.25Å; H310-H314 AromaticContact CE1-CE1 3.86Å; H310-H314 AromaticContact CE1-NE2 3.38Å; H310-H314 PolarHBondContact CE1-NE2 2.97Å; H310-H314 AromaticContact NE2-CD2 3.88Å; H310-H314 AromaticContact NE2-CE1 3.93Å; H310-H314 AromaticContact NE2-NE2 3.08Å; H310-H314 PolarHBondContact NE2-NE2 3.42Å; Q311-H314 PolarHBondContact O-N 2.97Å; R312-H314 VanDerWaalsContact C-N 3.34Å; H314-G316 PolarHBondContact O-N 3.18Å
315S90Very high90.9Very high73 Ų7377.6 Ų77.651%0.5140%0.402SS..Hα-helixtrans-73.1-14.7178.864.50000113.9Q311 E317Q311-S315 PolarHBondContact O-N 2.78Å; Q311-S315 VanDerWaalsContact O-N 3.13Å; S315-E317 PolarHBondContact O-N 3.35Å; S315-E317 WeakPolarHBondContact OG-CG 3.34Å; S315-E317 PolarHBondContact OG-N 3.39Å
316G88.5Confident91.1Very high44 Ų4475.5 Ų75.545%0.45440%0.396SS..  trans71.62.4-173.900000114.2R312 H314 R318R312-G316 PolarHBondContact O-N 3.25Å; H314-G316 PolarHBondContact O-N 3.18Å; G316-R318 WeakPolarHBondContact O-CG 3.45Å; G316-R318 PolarHBondContact O-N 2.94Å
317E90.9Very high91.4Very high112 Ų11278.6 Ų78.652%0.52341%0.408SS..  trans-57.9128.4179.9-78.8-176.9-175.600112.3R312 S315R312-E317 HydrophobicContact CB-CB 4.49Å; R312-E317 HydrophobicContact CG-CB 4.33Å; S315-E317 PolarHBondContact O-N 3.35Å; S315-E317 WeakPolarHBondContact OG-CG 3.34Å; S315-E317 PolarHBondContact OG-N 3.39Å
318R90.6Very high91.5Very high142 Ų14278.8 Ų78.854%0.53641%0.413SS..  trans-127.877.6177.2-67.7174.1115.2-174.6-5.3110.1G316 F320 A328 F329 R330G316-R318 WeakPolarHBondContact O-CG 3.45Å; G316-R318 PolarHBondContact O-N 2.94Å; R318-F320 PolarHBondContact O-N 3.29Å; R318-A328 HydrophobicContact CB-CB 3.52Å; R318-A328 PolarHBondContact NE-O 2.92Å; R318-A328 PolarHBondContact NH2-O 3.37Å; R318-A328 VanDerWaalsContact NH2-O 3.11Å; R318-F329 CarbonylContact C-O 3.37Å; R318-F329 WeakPolarHBondContact CA-O 3.49Å; R318-R330 HydrophobicContact CG-CG 4.1Å
319P91.3Very high91.6Very high73 Ų7376.8 Ų76.847%0.47440%0.401SS..  trans-66.6-12.6-172.1-21.934.2000114.8
320F93.2Very high91.5Very high62 Ų6277.6 Ų77.627%0.27240%0.401SS..EExtended strand (participates in β ladder)trans-111.493.1-171.6-55.9-79.3000110.5R318 A328 F329 R332 L335R318-F320 PolarHBondContact O-N 3.29Å; F320-A328 CarbonylContact O-C 3.59Å; F320-A328 WeakPolarHBondContact O-CA 3.29Å; F320-F329 HydrophobicContact CB-CB 4.48Å; F320-F329 PolarHBondContact N-O 3.39Å; F320-F329 PolarHBondContact O-N 3.2Å; F320-R332 HydrophobicContact CD1-CB 4.27Å; F320-R332 HydrophobicContact CE1-CB 4.14Å; F320-R332 HydrophobicContact CZ-CB 4.43Å; F320-L335 HydrophobicContact CB-CB 4.15Å; F320-L335 HydrophobicContact CB-CD2 3.96Å
321A93.9Very high91.5Very high57 Ų5777.2 Ų77.247%0.47140%0.402SS..EExtended strand (participates in β ladder)trans-88.3140.7177.400000112.8A328A321-A328 HydrophobicContact CB-CB 4.44Å
322C94.4Very high91.4Very high5 Ų582.6 Ų82.63%0.03442%0.418CS..  trans-74.9126.3167.8-170.10000109.4E324 G326 K327 L335C322-E324 VanDerWaalsContact C-N 3.28Å; C322-E324 PolarHBondContact O-N 2.99Å; C322-G326 WeakPolarHBondContact O-CA 3.17Å; C322-G326 PolarHBondContact O-N 3.16Å; C322-K327 WeakPolarHBondContact CB-O 3.48Å; C322-K327 PolarHBondContact N-O 2.92Å; C322-L335 HydrophobicContact CB-CD1 3.78Å
323R92.8Very high91.2Very high254 Ų25484.4 Ų84.496%0.95844%0.44SS*.THydrogen-bonded Turntrans-70.3-26.9179.4-69.5-173.4173.8-174.9-4113
324E91.8Very high91.3Very high118 Ų11883.4 Ų83.455%0.55144%0.437SS*.THydrogen-bonded Turntrans-83.5-32.4-174.4-67.8161.8-147.700112.8C322 H342C322-E324 VanDerWaalsContact C-N 3.28Å; C322-E324 PolarHBondContact O-N 2.99Å; E324-H342 WeakPolarHBondContact OE2-CB 3.47Å; E324-H342 IonicContact OE2-CD2 3.09Å; E324-H342 PolarHBondContact OE2-CD2 3.16Å; E324-H342 IonicContact OE2-CG 3.98Å; E324-H342 IonicContact OE2-ND1 3.65Å; E324-H342 IonicContact OE2-NE2 3.57Å
325C93Very high91.4Very high53 Ų5381.2 Ų81.236%0.35843%0.427SS..THydrogen-bonded Turntrans-134.38.8-177.871.10000115.2K327 H338 H342C325-K327 PolarHBondContact O-N 3.04Å; C325-H338 PolarHBondContact SG-NE2 3.47Å; C325-H342 PolarHBondContact SG-NE2 2.96Å
326G90.4Very high91.5Very high56 Ų5680.5 Ų80.558%0.57742%0.422SS*.  trans70-9.3178.100000115.7C322 A328C322-G326 WeakPolarHBondContact O-CA 3.17Å; C322-G326 PolarHBondContact O-N 3.16Å; G326-A328 PolarHBondContact O-N 3.41Å
327K92.5Very high91.6Very high131 Ų13181.5 Ų81.557%0.5742%0.415SS*.  trans-60.9125.7-178.6-73.2-180-178.5174.40111.2C322 C325 F329C322-K327 WeakPolarHBondContact CB-O 3.48Å; C322-K327 PolarHBondContact N-O 2.92Å; C325-K327 PolarHBondContact O-N 3.04Å; K327-F329 HydrophobicContact CB-CE2 4.04Å; K327-F329 HydrophobicContact CB-CZ 4.21Å; K327-F329 WeakPolarHBondContact O-CD2 3.4Å; K327-F329 VanDerWaalsContact O-CE2 3.25Å; K327-F329 WeakPolarHBondContact O-CE2 3.41Å
328A93.7Very high91.6Very high25 Ų2577.1 Ų77.121%0.20739%0.394CS..EExtended strand (participates in β ladder)trans-101.4149.1-177.500000113.1R318 F320 A321 G326R318-A328 HydrophobicContact CB-CB 3.52Å; R318-A328 PolarHBondContact NE-O 2.92Å; R318-A328 PolarHBondContact NH2-O 3.37Å; R318-A328 VanDerWaalsContact NH2-O 3.11Å; F320-A328 CarbonylContact O-C 3.59Å; F320-A328 WeakPolarHBondContact O-CA 3.29Å; A321-A328 HydrophobicContact CB-CB 4.44Å; G326-A328 PolarHBondContact O-N 3.41Å
329F91.6Very high91.6Very high40 Ų4076.8 Ų76.818%0.17539%0.393CS..EExtended strand (participates in β ladder)trans-131.4151-176.2-60.2-90.7000111.2R318 F320 K327 G331 L335 H338R318-F329 CarbonylContact C-O 3.37Å; R318-F329 WeakPolarHBondContact CA-O 3.49Å; F320-F329 HydrophobicContact CB-CB 4.48Å; F320-F329 PolarHBondContact N-O 3.39Å; F320-F329 PolarHBondContact O-N 3.2Å; K327-F329 HydrophobicContact CB-CE2 4.04Å; K327-F329 HydrophobicContact CB-CZ 4.21Å; K327-F329 WeakPolarHBondContact O-CD2 3.4Å; K327-F329 VanDerWaalsContact O-CE2 3.25Å; K327-F329 WeakPolarHBondContact O-CE2 3.41Å; F329-G331 VanDerWaalsContact C-N 3.27Å; F329-G331 PolarHBondContact O-N 3.49Å; F329-L335 HydrophobicContact CB-CB 4.37Å; F329-L335 HydrophobicContact CD2-CB 3.94Å; F329-L335 HydrophobicContact CD2-CD1 3.93Å; F329-L335 HydrophobicContact CE2-CD1 4.11Å; F329-L335 HydrophobicContact CG-CB 4.33Å; F329-H338 HydrophobicContact CE1-CB 3.83Å; F329-H338 HydrophobicContact CE2-CB 3.7Å; F329-H338 AromaticContact CE2-CD2 3.35Å; F329-H338 WeakPolarHBondContact CE2-CD2 3.02Å; F329-H338 AromaticContact CE2-CG 3.55Å; F329-H338 HydrophobicContact CZ-CB 3.26Å; F329-H338 AromaticContact CZ-CD2 3.49Å; F329-H338 VanDerWaalsContact CZ-CD2 3.49Å; F329-H338 WeakPolarHBondContact CZ-CD2 3.44Å; F329-H338 AromaticContact CZ-CG 3.19Å; F329-H338 AromaticContact CZ-ND1 3.79Å
330R88.8Confident91.6Very high107 Ų10776.2 Ų76.240%0.40438%0.382SS..SBendtrans-72.8-18.9178-65.4-179.9-178.2152-1.6113.4R312 S313 R318R312-R330 HydrophobicContact CB-CG 4.46Å; R312-R330 PolarHBondContact NH1-O 3.4Å; R312-R330 PolarHBondContact O-NE 3.25Å; S313-R330 VanDerWaalsContact CA-CZ 3.49Å; S313-R330 PolarHBondContact O-NH2 3.02Å; R318-R330 HydrophobicContact CG-CG 4.1Å
331G89.6Confident91.4Very high11 Ų1178.4 Ų78.411%0.11340%0.4CS..SBendtrans-147.7153.6-176.200000112.9F329 S333 G334 L335F329-G331 VanDerWaalsContact C-N 3.27Å; F329-G331 PolarHBondContact O-N 3.49Å; G331-S333 VanDerWaalsContact C-N 3.31Å; G331-S333 PolarHBondContact O-N 3.25Å; G331-G334 PolarHBondContact O-N 2.98Å; G331-L335 PolarHBondContact O-N 3.41Å
332R89.4Confident91.2Very high196 Ų19679.3 Ų79.374%0.7439%0.394SS*.Hα-helixtrans-63.8-32.4-177.8-166173.3-173.2175.12.2113.4F320 L335 S336F320-R332 HydrophobicContact CD1-CB 4.27Å; F320-R332 HydrophobicContact CE1-CB 4.14Å; F320-R332 HydrophobicContact CZ-CB 4.43Å; R332-L335 PolarHBondContact O-N 3.08Å; R332-S336 WeakPolarHBondContact O-CB 3.47Å; R332-S336 PolarHBondContact O-N 3.4Å
333S88.9Confident90.9Very high97 Ų9782.3 Ų82.368%0.67842%0.415SS*.Hα-helixtrans-63.6-40.3174.8520000112.2G331 S336 Q337G331-S333 VanDerWaalsContact C-N 3.31Å; G331-S333 PolarHBondContact O-N 3.25Å; S333-S336 PolarHBondContact O-N 3.25Å; S333-Q337 WeakPolarHBondContact O-CB 3.48Å; S333-Q337 PolarHBondContact O-N 3.43Å
334G90.5Very high90.6Very high21 Ų2172.4 Ų72.422%0.21639%0.392CS..Hα-helixtrans-62.8-45.417500000112G331 Q337 H338G331-G334 PolarHBondContact O-N 2.98Å; G334-Q337 PolarHBondContact O-N 3.13Å; G334-H338 WeakPolarHBondContact O-CB 2.93Å; G334-H338 PolarHBondContact O-N 3.18Å
335L93.4Very high90.5Very high29 Ų2972.2 Ų72.215%0.15239%0.391CS..Hα-helixtrans-62.1-47174.3175.160.9000111.8F320 C322 F329 G331 R332 Q337 H338 R339F320-L335 HydrophobicContact CB-CB 4.15Å; F320-L335 HydrophobicContact CB-CD2 3.96Å; C322-L335 HydrophobicContact CB-CD1 3.78Å; F329-L335 HydrophobicContact CB-CB 4.37Å; F329-L335 HydrophobicContact CD2-CB 3.94Å; F329-L335 HydrophobicContact CD2-CD1 3.93Å; F329-L335 HydrophobicContact CE2-CD1 4.11Å; F329-L335 HydrophobicContact CG-CB 4.33Å; G331-L335 PolarHBondContact O-N 3.41Å; R332-L335 PolarHBondContact O-N 3.08Å; L335-Q337 VanDerWaalsContact C-N 3.33Å; L335-Q337 PolarHBondContact O-N 3.39Å; L335-H338 WeakPolarHBondContact O-CB 3.35Å; L335-H338 PolarHBondContact O-N 2.98Å; L335-H338 VanDerWaalsContact O-N 3.14Å; L335-R339 HydrophobicContact CD1-CG 4.4Å; L335-R339 WeakPolarHBondContact O-CG 3.49Å; L335-R339 PolarHBondContact O-N 2.89Å
336S91.6Very high90.4Very high58 Ų5876 Ų7641%0.40640%0.401SS..Hα-helixtrans-61.2-40.7178.51750000112.3R332 S333 H338 R339R332-S336 WeakPolarHBondContact O-CB 3.47Å; R332-S336 PolarHBondContact O-N 3.4Å; S333-S336 PolarHBondContact O-N 3.25Å; S336-H338 VanDerWaalsContact C-N 3.34Å; S336-R339 PolarHBondContact O-N 3.14Å
337Q90.3Very high90.4Very high65 Ų6576.9 Ų76.930%0.30440%0.398SS..Hα-helixtrans-66.1-38.6174.5-179.9177.664.900111.8S333 G334 L335 R340 R359S333-Q337 WeakPolarHBondContact O-CB 3.48Å; S333-Q337 PolarHBondContact O-N 3.43Å; G334-Q337 PolarHBondContact O-N 3.13Å; L335-Q337 VanDerWaalsContact C-N 3.33Å; L335-Q337 PolarHBondContact O-N 3.39Å; Q337-R340 WeakPolarHBondContact O-CB 3.29Å; Q337-R340 PolarHBondContact O-N 2.93Å; Q337-R359 HydrophobicContact CG-CG 4.4Å; Q337-R359 VanDerWaalsContact NE2-CD 3.28Å; Q337-R359 VanDerWaalsContact OE1-NH2 3.17Å
338H92.1Very high90.4Very high19 Ų1973.9 Ų73.99%0.08838%0.383CS..Hα-helixtrans-67-37.5177.7168.263.4000112.9C325 F329 G334 L335 S336 R340 V341 H342C325-H338 PolarHBondContact SG-NE2 3.47Å; F329-H338 HydrophobicContact CE1-CB 3.83Å; F329-H338 HydrophobicContact CE2-CB 3.7Å; F329-H338 AromaticContact CE2-CD2 3.35Å; F329-H338 WeakPolarHBondContact CE2-CD2 3.02Å; F329-H338 AromaticContact CE2-CG 3.55Å; F329-H338 HydrophobicContact CZ-CB 3.26Å; F329-H338 AromaticContact CZ-CD2 3.49Å; F329-H338 VanDerWaalsContact CZ-CD2 3.49Å; F329-H338 WeakPolarHBondContact CZ-CD2 3.44Å; F329-H338 AromaticContact CZ-CG 3.19Å; F329-H338 AromaticContact CZ-ND1 3.79Å; G334-H338 WeakPolarHBondContact O-CB 2.93Å; G334-H338 PolarHBondContact O-N 3.18Å; L335-H338 WeakPolarHBondContact O-CB 3.35Å; L335-H338 PolarHBondContact O-N 2.98Å; L335-H338 VanDerWaalsContact O-N 3.14Å; S336-H338 VanDerWaalsContact C-N 3.34Å; H338-R340 PolarHBondContact O-N 3.21Å; H338-R340 VanDerWaalsContact O-N 3.08Å; H338-V341 VanDerWaalsContact O-CB 3.23Å; H338-V341 WeakPolarHBondContact O-CB 3.48Å; H338-V341 WeakPolarHBondContact O-CG2 3.33Å; H338-V341 PolarHBondContact O-N 2.96Å; H338-H342 AromaticContact CE1-NE2 3.6Å; H338-H342 AromaticContact NE2-CD2 3.98Å; H338-H342 AromaticContact NE2-NE2 3.3Å; H338-H342 PolarHBondContact NE2-NE2 3.44Å
339R91.3Very high90.3Very high136 Ų13678.9 Ų78.951%0.51340%0.402SS..Hα-helixtrans-55.9-27.4176.4-74.8-177.867.7-128.4-2.4113.6L335 S336 V341 H342 S343L335-R339 HydrophobicContact CD1-CG 4.4Å; L335-R339 WeakPolarHBondContact O-CG 3.49Å; L335-R339 PolarHBondContact O-N 2.89Å; S336-R339 PolarHBondContact O-N 3.14Å; R339-V341 PolarHBondContact O-N 3.36Å; R339-H342 PolarHBondContact O-N 2.92Å; R339-S343 PolarHBondContact O-N 3.05Å; R339-S343 VanDerWaalsContact O-N 3.08Å; R339-S343 PolarHBondContact O-OG 3.29Å
340R90.6Very high90.4Very high60 Ų6077 Ų7723%0.22639%0.394CS..Hα-helixtrans-64-21174.2-60.6-176.1-172.61495.4114Q337 H338 H342 S343 G344 E345 G358Q337-R340 WeakPolarHBondContact O-CB 3.29Å; Q337-R340 PolarHBondContact O-N 2.93Å; H338-R340 PolarHBondContact O-N 3.21Å; H338-R340 VanDerWaalsContact O-N 3.08Å; R340-H342 VanDerWaalsContact C-N 3.28Å; R340-S343 WeakPolarHBondContact CA-OG 3.29Å; R340-G344 WeakPolarHBondContact O-CA 3.49Å; R340-G344 PolarHBondContact O-N 2.73Å; R340-E345 HydrophobicContact CG-CB 4.37Å; R340-G358 PolarHBondContact NH1-O 3Å
341V89Confident90.5Very high109 Ų10976.7 Ų76.766%0.66141%0.408SS*.Hα-helixtrans-68.1-34.7174-179.20000110.3H338 R339H338-V341 VanDerWaalsContact O-CB 3.23Å; H338-V341 WeakPolarHBondContact O-CB 3.48Å; H338-V341 WeakPolarHBondContact O-CG2 3.33Å; H338-V341 PolarHBondContact O-N 2.96Å; R339-V341 PolarHBondContact O-N 3.36Å
342H89.4Confident90.4Very high76 Ų7681.2 Ų81.235%0.35243%0.43SS..Hα-helixtrans-83-42.7178.8-60.9-64.1000112.4E324 C325 H338 R339 R340 G344E324-H342 WeakPolarHBondContact OE2-CB 3.47Å; E324-H342 IonicContact OE2-CD2 3.09Å; E324-H342 PolarHBondContact OE2-CD2 3.16Å; E324-H342 IonicContact OE2-CG 3.98Å; E324-H342 IonicContact OE2-ND1 3.65Å; E324-H342 IonicContact OE2-NE2 3.57Å; C325-H342 PolarHBondContact SG-NE2 2.96Å; H338-H342 AromaticContact CE1-NE2 3.6Å; H338-H342 AromaticContact NE2-CD2 3.98Å; H338-H342 AromaticContact NE2-NE2 3.3Å; H338-H342 PolarHBondContact NE2-NE2 3.44Å; R339-H342 PolarHBondContact O-N 2.92Å; R340-H342 VanDerWaalsContact C-N 3.28Å; H342-G344 VanDerWaalsContact C-N 3.26Å; H342-G344 PolarHBondContact O-N 3.16Å
343S88.8Confident90.6Very high67 Ų6774.4 Ų74.447%0.46941%0.412SS..Hα-helixtrans-76-13.1178.363.90000113.9R339 R340 E345R339-S343 PolarHBondContact O-N 3.05Å; R339-S343 VanDerWaalsContact O-N 3.08Å; R339-S343 PolarHBondContact O-OG 3.29Å; R340-S343 WeakPolarHBondContact CA-OG 3.29Å; S343-E345 PolarHBondContact O-N 3.02Å; S343-E345 VanDerWaalsContact O-N 3.12Å; S343-E345 WeakPolarHBondContact OG-CG 3.35Å; S343-E345 PolarHBondContact OG-N 3.18Å
344G86.9Confident90.6Very high46 Ų4671.7 Ų71.747%0.47440%0.399SS..  trans68.23.2-173.900000114.3R340 H342 K346R340-G344 WeakPolarHBondContact O-CA 3.49Å; R340-G344 PolarHBondContact O-N 2.73Å; H342-G344 VanDerWaalsContact C-N 3.26Å; H342-G344 PolarHBondContact O-N 3.16Å; G344-K346 PolarHBondContact O-N 2.93Å
345E89.6Confident90.6Very high115 Ų11576.7 Ų76.754%0.53741%0.414SS..  trans-57.8124.2-178.7-78174.2-16000111.6R340 S343 P347R340-E345 HydrophobicContact CG-CB 4.37Å; S343-E345 PolarHBondContact O-N 3.02Å; S343-E345 VanDerWaalsContact O-N 3.12Å; S343-E345 WeakPolarHBondContact OG-CG 3.35Å; S343-E345 PolarHBondContact OG-N 3.18Å; E345-P347 WeakPolarHBondContact O-CD 3.35Å
346K90.2Very high90.5Very high131 Ų13177.1 Ų77.157%0.5742%0.422SS*.  trans-123.177.8176.7-71.2168.5176.2-176.20110.3G344 Y348 A356 F357G344-K346 PolarHBondContact O-N 2.93Å; K346-Y348 PolarHBondContact O-N 3.17Å; K346-A356 HydrophobicContact CB-CB 3.6Å; K346-A356 HydrophobicContact CD-CB 4.23Å; K346-A356 WeakPolarHBondContact CD-O 3.42Å; K346-F357 CarbonylContact C-O 3.35Å; K346-F357 WeakPolarHBondContact CA-O 3Å
347P90.5Very high90.3Very high76 Ų7676.3 Ų76.349%0.49441%0.412SS..  trans-70.8-5.7-170.7-19.333.2000115.2E345E345-P347 WeakPolarHBondContact O-CD 3.35Å
348Y91.7Very high90.2Very high68 Ų6874.3 Ų74.327%0.26741%0.408SS..EExtended strand (participates in β ladder)trans-114.498.3-172.5-57.6-79.4000109.7K346 A356 F357 R360K346-Y348 PolarHBondContact O-N 3.17Å; Y348-A356 CarbonylContact O-C 3.31Å; Y348-A356 WeakPolarHBondContact O-CA 3.41Å; Y348-F357 WeakPolarHBondContact CB-O 3.47Å; Y348-F357 WeakPolarHBondContact CD2-O 3.3Å; Y348-F357 PolarHBondContact N-O 3.08Å; Y348-F357 PolarHBondContact O-N 3.25Å; Y348-R360 HydrophobicContact CD1-CB 3.86Å; Y348-R360 HydrophobicContact CD1-CG 4.12Å; Y348-R360 HydrophobicContact CE1-CB 3.7Å; Y348-R360 HydrophobicContact CE1-CG 4.13Å; Y348-R360 HydrophobicContact CE2-CB 4.46Å; Y348-R360 HydrophobicContact CG-CB 4.29Å
349E91.9Very high90Very high130 Ų13079.1 Ų79.161%0.60743%0.426SS*.EExtended strand (participates in β ladder)trans-95.3142.7179.1-164.9176.3162.100111.7G354E349-G354 WeakPolarHBondContact OE1-CA 3.24Å
350C93.3Very high89.9Confident1 Ų181.4 Ų81.41%0.00743%0.434CS..  trans-83.2121.2172-177.90000110.2D352 C353 G354 K355 F357 L363 H370C350-D352 PolarHBondContact O-N 3.37Å; C350-C353 PolarHBondContact O-N 3.46Å; C350-C353 VanDerWaalsContact SG-SG 3.68Å; C350-G354 VanDerWaalsContact O-CA 3.31Å; C350-G354 WeakPolarHBondContact O-CA 3.24Å; C350-G354 PolarHBondContact O-N 3.19Å; C350-K355 WeakPolarHBondContact CB-O 3.23Å; C350-K355 PolarHBondContact N-O 3.47Å; C350-F357 HydrophobicContact CB-CE2 4.46Å; C350-L363 HydrophobicContact CB-CD1 3.61Å; C350-H370 PolarHBondContact SG-CD2 3.18Å; C350-H370 PolarHBondContact SG-NE2 3.25Å
351S91Very high89.9Confident100 Ų10081.4 Ų81.470%0.69945%0.447SS*.THydrogen-bonded Turntrans-56-33.3175.647.90000113.6
352D89Confident90Very high105 Ų10579.8 Ų79.856%0.56144%0.435SS*.THydrogen-bonded Turntrans-87.2-20.1-168.1-45.3-28.9000112.3C350 H370C350-D352 PolarHBondContact O-N 3.37Å; D352-H370 IonicContact OD2-CD2 3.43Å; D352-H370 PolarHBondContact OD2-CD2 3.37Å; D352-H370 IonicContact OD2-CG 3.46Å
353C92.4Very high90.1Very high54 Ų5476.9 Ų76.937%0.36542%0.422SS..THydrogen-bonded Turntrans-145.95.2-175.374.50000115.5C350 K355 H366 H370C350-C353 PolarHBondContact O-N 3.46Å; C350-C353 VanDerWaalsContact SG-SG 3.68Å; C353-K355 PolarHBondContact O-N 3.39Å; C353-H366 PolarHBondContact SG-NE2 3.09Å; C353-H370 PolarHBondContact SG-NE2 3.36Å
354G88.8Confident90.1Very high39 Ų3981 Ų8140%0.40243%0.432SS..  trans682.9179.400000115.4E349 C350 A356E349-G354 WeakPolarHBondContact OE1-CA 3.24Å; C350-G354 VanDerWaalsContact O-CA 3.31Å; C350-G354 WeakPolarHBondContact O-CA 3.24Å; C350-G354 PolarHBondContact O-N 3.19Å; G354-A356 PolarHBondContact O-N 3Å
355K90.6Very high90.3Very high126 Ų12686.1 Ų86.155%0.54844%0.441SS..  trans-70124-179.4-73.3-178.7-178.91780110.8C350 C353 F357C350-K355 WeakPolarHBondContact CB-O 3.23Å; C350-K355 PolarHBondContact N-O 3.47Å; C353-K355 PolarHBondContact O-N 3.39Å; K355-F357 HydrophobicContact CB-CE2 3.83Å; K355-F357 HydrophobicContact CB-CZ 3.97Å; K355-F357 WeakPolarHBondContact O-CD2 3.41Å; K355-F357 WeakPolarHBondContact O-CE2 3.34Å
356A91.4Very high90.3Very high38 Ų3881.9 Ų81.931%0.31442%0.421SS..EExtended strand (participates in β ladder)trans-96.1141.3179.100000112.8K346 Y348 G354K346-A356 HydrophobicContact CB-CB 3.6Å; K346-A356 HydrophobicContact CD-CB 4.23Å; K346-A356 WeakPolarHBondContact CD-O 3.42Å; Y348-A356 CarbonylContact O-C 3.31Å; Y348-A356 WeakPolarHBondContact O-CA 3.41Å; G354-A356 PolarHBondContact O-N 3Å
357F88.6Confident90.3Very high42 Ų4279 Ų7918%0.18441%0.409CS..EExtended strand (participates in β ladder)trans-128.9145.5-177.5-59-89.1000111.4K346 Y348 C350 K355 R359 N362 L363 H366K346-F357 CarbonylContact C-O 3.35Å; K346-F357 WeakPolarHBondContact CA-O 3Å; Y348-F357 WeakPolarHBondContact CB-O 3.47Å; Y348-F357 WeakPolarHBondContact CD2-O 3.3Å; Y348-F357 PolarHBondContact N-O 3.08Å; Y348-F357 PolarHBondContact O-N 3.25Å; C350-F357 HydrophobicContact CB-CE2 4.46Å; K355-F357 HydrophobicContact CB-CE2 3.83Å; K355-F357 HydrophobicContact CB-CZ 3.97Å; K355-F357 WeakPolarHBondContact O-CD2 3.41Å; K355-F357 WeakPolarHBondContact O-CE2 3.34Å; F357-R359 VanDerWaalsContact C-N 3.28Å; F357-R359 PolarHBondContact O-N 3.3Å; F357-N362 HydrophobicContact CB-CB 4.25Å; F357-N362 HydrophobicContact CD1-CB 3.92Å; F357-N362 HydrophobicContact CG-CB 4.32Å; F357-L363 HydrophobicContact CB-CB 4.43Å; F357-L363 HydrophobicContact CD2-CB 3.96Å; F357-L363 HydrophobicContact CD2-CD1 3.89Å; F357-L363 HydrophobicContact CE2-CD1 4.04Å; F357-L363 HydrophobicContact CG-CB 4.38Å; F357-H366 HydrophobicContact CE1-CB 4.05Å; F357-H366 HydrophobicContact CE2-CB 3.84Å; F357-H366 AromaticContact CE2-CD2 3.43Å; F357-H366 VanDerWaalsContact CE2-CD2 3.43Å; F357-H366 WeakPolarHBondContact CE2-CD2 3.46Å; F357-H366 AromaticContact CE2-CG 3.66Å; F357-H366 HydrophobicContact CZ-CB 3.44Å; F357-H366 VanDerWaalsContact CZ-CB 3.44Å; F357-H366 AromaticContact CZ-CD2 3.48Å; F357-H366 VanDerWaalsContact CZ-CD2 3.48Å; F357-H366 WeakPolarHBondContact CZ-CD2 3.22Å; F357-H366 AromaticContact CZ-CG 3.25Å; F357-H366 AromaticContact CZ-ND1 3.82Å
358G87.1Confident90.2Very high23 Ų2378.4 Ų78.424%0.23741%0.411CS..SBendtrans-76-12.6175.900000114.5R340R340-G358 PolarHBondContact NH1-O 3Å
359R88.3Confident89.9Confident120 Ų12079.2 Ų79.245%0.45342%0.423SS..SBendtrans-137.1134.5-177.7-57.7-173.5179.5-166-3.6111.3Q337 F357 A361 N362 L363Q337-R359 HydrophobicContact CG-CG 4.4Å; Q337-R359 VanDerWaalsContact NE2-CD 3.28Å; Q337-R359 VanDerWaalsContact OE1-NH2 3.17Å; F357-R359 VanDerWaalsContact C-N 3.28Å; F357-R359 PolarHBondContact O-N 3.3Å; R359-A361 VanDerWaalsContact C-N 3.28Å; R359-A361 PolarHBondContact O-N 3.25Å; R359-N362 WeakPolarHBondContact O-CB 3.49Å; R359-N362 PolarHBondContact O-N 3.11Å; R359-L363 PolarHBondContact O-N 3.31Å
360R89.1Confident89.4Confident183 Ų18375.6 Ų75.669%0.69141%0.406SS*.Hα-helixtrans-57.7-36.4175.9-166.7170.2-176.5147.21.4113.7Y348 N362 L363 F364Y348-R360 HydrophobicContact CD1-CB 3.86Å; Y348-R360 HydrophobicContact CD1-CG 4.12Å; Y348-R360 HydrophobicContact CE1-CB 3.7Å; Y348-R360 HydrophobicContact CE1-CG 4.13Å; Y348-R360 HydrophobicContact CE2-CB 4.46Å; Y348-R360 HydrophobicContact CG-CB 4.29Å; R360-N362 VanDerWaalsContact C-N 3.26Å; R360-N362 PolarHBondContact O-N 3.12Å; R360-L363 WeakPolarHBondContact O-CB 3.28Å; R360-L363 PolarHBondContact O-N 3.26Å; R360-F364 PolarHBondContact O-N 3.08Å
361A89.8Confident88.2Confident60 Ų6078.3 Ų78.350%0.49643%0.434SS..Hα-helixtrans-62.8-32.9176.800000112.7R359 K365R359-A361 VanDerWaalsContact C-N 3.28Å; R359-A361 PolarHBondContact O-N 3.25Å; A361-K365 WeakPolarHBondContact O-CG 3.29Å; A361-K365 PolarHBondContact O-N 2.98Å; A361-K365 VanDerWaalsContact O-N 3.11Å
362N90.8Very high86.5Confident75 Ų7577.6 Ų77.640%0.40143%0.434SS..Hα-helixtrans-74.3-38.7176.9-65.72.4000110.7F357 R359 R360 K365 H366F357-N362 HydrophobicContact CB-CB 4.25Å; F357-N362 HydrophobicContact CD1-CB 3.92Å; F357-N362 HydrophobicContact CG-CB 4.32Å; R359-N362 WeakPolarHBondContact O-CB 3.49Å; R359-N362 PolarHBondContact O-N 3.11Å; R360-N362 VanDerWaalsContact C-N 3.26Å; R360-N362 PolarHBondContact O-N 3.12Å; N362-K365 PolarHBondContact O-N 3.44Å; N362-H366 VanDerWaalsContact O-CB 3.31Å; N362-H366 WeakPolarHBondContact O-CB 3.38Å; N362-H366 PolarHBondContact O-N 3.4Å
363L92.1Very high84.5Confident16 Ų1683 Ų838%0.08445%0.447CS..Hα-helixtrans-59.2-47.5171.1173.362.9000111.1C350 F357 R359 R360 K365 H366 Q367C350-L363 HydrophobicContact CB-CD1 3.61Å; F357-L363 HydrophobicContact CB-CB 4.43Å; F357-L363 HydrophobicContact CD2-CB 3.96Å; F357-L363 HydrophobicContact CD2-CD1 3.89Å; F357-L363 HydrophobicContact CE2-CD1 4.04Å; F357-L363 HydrophobicContact CG-CB 4.38Å; R359-L363 PolarHBondContact O-N 3.31Å; R360-L363 WeakPolarHBondContact O-CB 3.28Å; R360-L363 PolarHBondContact O-N 3.26Å; L363-K365 PolarHBondContact O-N 3.3Å; L363-H366 CarbonylContact O-C 3.57Å; L363-H366 WeakPolarHBondContact O-CA 3.41Å; L363-H366 WeakPolarHBondContact O-CB 3.46Å; L363-H366 PolarHBondContact O-N 3.31Å; L363-Q367 HydrophobicContact CD1-CG 3.94Å; L363-Q367 HydrophobicContact CG-CG 4.29Å; L363-Q367 WeakPolarHBondContact O-CG 3.41Å; L363-Q367 PolarHBondContact O-N 3.03Å
364F90.1Very high81.9Confident154 Ų15490.7 Ų90.768%0.67547%0.468SS*.Hα-helixtrans-60.6-44179.5-171.6-95.8000112.2R360 H366 Q367 A368R360-F364 PolarHBondContact O-N 3.08Å; F364-H366 VanDerWaalsContact C-N 3.28Å; F364-H366 PolarHBondContact O-N 2.87Å; F364-Q367 PolarHBondContact O-N 3.28Å; F364-A368 PolarHBondContact O-N 2.85Å
365K90.3Very high79.6Confident152 Ų15294.2 Ų94.266%0.66148%0.484SS*.Hα-helixtrans-61.4-37.4172.9-72.5178.2-178.6-171.10112.3A361 N362 L363A361-K365 WeakPolarHBondContact O-CG 3.29Å; A361-K365 PolarHBondContact O-N 2.98Å; A361-K365 VanDerWaalsContact O-N 3.11Å; N362-K365 PolarHBondContact O-N 3.44Å; L363-K365 PolarHBondContact O-N 3.3Å
366H90.5Very high77.2Confident27 Ų2792.3 Ų92.313%0.12549%0.492CS..Hα-helixtrans-69.9-42177.6174.963.5000112.4C353 F357 N362 L363 F364 A368 V369 H370C353-H366 PolarHBondContact SG-NE2 3.09Å; F357-H366 HydrophobicContact CE1-CB 4.05Å; F357-H366 HydrophobicContact CE2-CB 3.84Å; F357-H366 AromaticContact CE2-CD2 3.43Å; F357-H366 VanDerWaalsContact CE2-CD2 3.43Å; F357-H366 WeakPolarHBondContact CE2-CD2 3.46Å; F357-H366 AromaticContact CE2-CG 3.66Å; F357-H366 HydrophobicContact CZ-CB 3.44Å; F357-H366 VanDerWaalsContact CZ-CB 3.44Å; F357-H366 AromaticContact CZ-CD2 3.48Å; F357-H366 VanDerWaalsContact CZ-CD2 3.48Å; F357-H366 WeakPolarHBondContact CZ-CD2 3.22Å; F357-H366 AromaticContact CZ-CG 3.25Å; F357-H366 AromaticContact CZ-ND1 3.82Å; N362-H366 VanDerWaalsContact O-CB 3.31Å; N362-H366 WeakPolarHBondContact O-CB 3.38Å; N362-H366 PolarHBondContact O-N 3.4Å; L363-H366 CarbonylContact O-C 3.57Å; L363-H366 WeakPolarHBondContact O-CA 3.41Å; L363-H366 WeakPolarHBondContact O-CB 3.46Å; L363-H366 PolarHBondContact O-N 3.31Å; F364-H366 VanDerWaalsContact C-N 3.28Å; F364-H366 PolarHBondContact O-N 2.87Å; H366-A368 PolarHBondContact O-N 3.04Å; H366-V369 WeakPolarHBondContact O-CA 3.44Å; H366-V369 WeakPolarHBondContact O-CB 3.48Å; H366-V369 WeakPolarHBondContact O-CG2 3.36Å; H366-V369 PolarHBondContact O-N 3.27Å; H366-H370 AromaticContact CD2-NE2 3.83Å; H366-H370 AromaticContact CE1-NE2 3.72Å; H366-H370 AromaticContact NE2-CD2 3.97Å; H366-H370 AromaticContact NE2-CE1 3.8Å; H366-H370 AromaticContact NE2-NE2 3.11Å; H366-H370 PolarHBondContact NE2-NE2 3.09Å; H366-H370 VanDerWaalsContact NE2-NE2 3.11Å
367Q88.9Confident74.7Confident69 Ų69100.3 Ų100.332%0.32252%0.52SS..Hα-helixtrans-60.6-32.2176.7-74.4174.4-44.500112.1L363 F364 V369 H370 G371L363-Q367 HydrophobicContact CD1-CG 3.94Å; L363-Q367 HydrophobicContact CG-CG 4.29Å; L363-Q367 WeakPolarHBondContact O-CG 3.41Å; L363-Q367 PolarHBondContact O-N 3.03Å; F364-Q367 PolarHBondContact O-N 3.28Å; Q367-V369 PolarHBondContact O-N 3.27Å; Q367-H370 PolarHBondContact O-N 3.44Å; Q367-H370 VanDerWaalsContact O-N 3.1Å; Q367-G371 PolarHBondContact O-N 3.46Å; Q367-G371 VanDerWaalsContact O-N 3.13Å
368A87.9Confident72.1Confident64 Ų64103.4 Ų103.453%0.52955%0.553SS.*Hα-helixtrans-60.8-25.6172.600000113.2F364 H366 G371 A372F364-A368 PolarHBondContact O-N 2.85Å; H366-A368 PolarHBondContact O-N 3.04Å; A368-G371 PolarHBondContact O-N 3.42Å; A368-A372 PolarHBondContact O-N 3.48Å
369V86.4Confident69.5Low85 Ų85111.1 Ų111.152%0.51558%0.582SS.*Hα-helixtrans-71.9-34.9175.5-174.60000111.4H366 Q367 A372 R373H366-V369 WeakPolarHBondContact O-CA 3.44Å; H366-V369 WeakPolarHBondContact O-CB 3.48Å; H366-V369 WeakPolarHBondContact O-CG2 3.36Å; H366-V369 PolarHBondContact O-N 3.27Å; Q367-V369 PolarHBondContact O-N 3.27Å; V369-A372 PolarHBondContact O-N 3.17Å; V369-R373 PolarHBondContact O-N 2.54Å
370H81.3Confident67Low54 Ų54111.9 Ų111.925%0.2560%0.601CS.*Hα-helixtrans-68.9-37.8172.5-62.2-49.8000111.3C350 D352 C353 H366 Q367 A372 R373C350-H370 PolarHBondContact SG-CD2 3.18Å; C350-H370 PolarHBondContact SG-NE2 3.25Å; D352-H370 IonicContact OD2-CD2 3.43Å; D352-H370 PolarHBondContact OD2-CD2 3.37Å; D352-H370 IonicContact OD2-CG 3.46Å; C353-H370 PolarHBondContact SG-NE2 3.36Å; H366-H370 AromaticContact CD2-NE2 3.83Å; H366-H370 AromaticContact CE1-NE2 3.72Å; H366-H370 AromaticContact NE2-CD2 3.97Å; H366-H370 AromaticContact NE2-CE1 3.8Å; H366-H370 AromaticContact NE2-NE2 3.11Å; H366-H370 PolarHBondContact NE2-NE2 3.09Å; H366-H370 VanDerWaalsContact NE2-NE2 3.11Å; Q367-H370 PolarHBondContact O-N 3.44Å; Q367-H370 VanDerWaalsContact O-N 3.1Å; H370-A372 PolarHBondContact O-N 2.88Å; H370-R373 CarbonylContact O-C 3.53Å; H370-R373 VanDerWaalsContact O-C 3.31Å; H370-R373 PolarHBondContact O-N 2.78Å
371G66.9Low64.3Low58 Ų58107.2 Ų107.260%0.59860%0.601SS**Hα-helixtrans-61.6-25.2172.800000114.4Q367 A368Q367-G371 PolarHBondContact O-N 3.46Å; Q367-G371 VanDerWaalsContact O-N 3.13Å; A368-G371 PolarHBondContact O-N 3.42Å
372A56.4Low61.7Low86 Ų86114.8 Ų114.871%0.71162%0.617SS**THydrogen-bonded Turntrans-85.8-11.8175.300000113.8A368 V369 H370A368-A372 PolarHBondContact O-N 3.48Å; V369-A372 PolarHBondContact O-N 3.17Å; H370-A372 PolarHBondContact O-N 2.88Å
373R45.9Very low59Low217 Ų217120 Ų12082%0.81963%0.631SS**  trans-11866172.3-81.5-171.7165.2-148.9-1.8110.1V369 H370 P375V369-R373 PolarHBondContact O-N 2.54Å; H370-R373 CarbonylContact O-C 3.53Å; H370-R373 VanDerWaalsContact O-C 3.31Å; H370-R373 PolarHBondContact O-N 2.78Å; R373-P375 WeakPolarHBondContact O-CD 3.38Å
374R39.4Very low56.2Low216 Ų216130 Ų13082%0.81567%0.668SS**PPolyproline II helixtrans-80.6121.3157.2-90.1177.669-179.72.5108.4A376R374-A376 PolarHBondContact O-N 3.01Å
375P39.5Very low53.3Low114 Ų114127.3 Ų127.374%0.7467%0.674SS**PPolyproline II helixtrans-65127.5151.427.7-27.4000107.2R373 K377R373-P375 WeakPolarHBondContact O-CD 3.38Å; P375-K377 PolarHBondContact O-N 3.4Å
376A39.9Very low50.5Low86 Ų86123.6 Ų123.671%0.71168%0.678SS**SBendtrans-58.9133.9163.400000108.3R374R374-A376 PolarHBondContact O-N 3.01Å
377K40.4Very low48.3Very low206 Ų206129 Ų12990%0.89672%0.716SS**  trans108.497170.2-61174.7179.4-174.70115.1P375P375-K377 PolarHBondContact O-N 3.4Å
378A33.7Very low45.5Very low106 Ų106128.7 Ų128.788%0.87673%0.732SS**  trans-164.570.9137.800000108.2
379E32.4Very low42.7Very low185 Ų185131 Ų13186%0.86474%0.744SS**  trans-119.991163.8-174.196.1-150.500106.7
380T34.6Very low40Very low137 Ų137133.4 Ų133.484%0.8476%0.759SS**  trans-143.498.815641.60000109.8
381A32.8Very low37.5Very low85 Ų85134.4 Ų134.470%0.70278%0.784SS**  trans62.3121.5130.100000121
382R35.3Very low36.1Very low218 Ų218138.1 Ų138.182%0.82380%0.797SS**  trans135.8121.8133.5-78175.7-173.6-105.43.4109.1
383R34.4Very low34.7Very low185 Ų185137.1 Ų137.170%0.69880%0.796SS**  cis-163.3147.731.6-100.4154179.2-881.3110.7
384R32.6Very low33.8Very low227 Ų227132.6 Ų132.686%0.85780%0.797SS**  trans53.2132.9143.2-69.4-179.8170.9-131.6-2.4118.4
385A29.8Very low33.2Very low97 Ų97126 Ų12680%0.80279%0.789SS**  cis-156.9148.18.300000107.9
386G31.2Very low32.6Very low73 Ų73128.5 Ų128.575%0.75380%0.795SS**  trans-85.3-148.4178.600000113.5
387P45.2Very low32Very low141 Ų141128.7 Ų128.792%0.91680%0.797SS**  cis-135175.2-38.436.2-19.3000112.3
388G29.1Very low31.4Very low63 Ų63123.3 Ų123.365%0.64979%0.791SS**  trans16082.4161.900000111.6
389S29Very low31Very low112 Ų112123.5 Ų123.578%0.78379%0.786SS**  60.4119.393.374.80000111.2
390T29.8Very low30.9Very low135 Ų135120 Ų12083%0.82878%0.782SS**  cis-165.6135.739.442.90000106.5
391G29.8Very low31Very low76 Ų76119 Ų11978%0.78478%0.778SS**  104.1150.588.900000111.3
392P36.1Very low31.3Very low135 Ų135120.6 Ų120.688%0.87778%0.784SS**  trans-123.3171.2-138.237-21.3000115.5
393G27.2Very low31.7Very low66 Ų66116 Ų11668%0.6878%0.782SS**  trans-179.799.7159.200000108.7
394S27.7Very low31.9Very low121 Ų121113.4 Ų113.485%0.84679%0.789SS**  50.2121.382.6-55.30000110
395A27.1Very low31.9Very low79 Ų79108.4 Ų108.465%0.65379%0.789SS**  cis-173.7162.927.800000110.1
396L26.1Very low32Very low165 Ų165108.5 Ų108.586%0.86479%0.79SS**  trans67.6110.6141.4-60.6163.3000118.1
397A27.1Very low32Very low91 Ų91109.7 Ų109.775%0.75279%0.792SS**  94.2124.565.700000112.8
398A27.8Very low31.3Very low93 Ų93107.2 Ų107.277%0.76978%0.784SS**  trans14894.614900000108.3
399S25.1Very low31.6Very low109 Ų109114.6 Ų114.676%0.76279%0.792SS**  54.992.974.9-59.40000112.3
400S30.9Very low32.1Very low111 Ų111114.6 Ų114.678%0.77679%0.79SS**  91.2167.5105.2-61.80000111.9
401P37.5Very low32.5Very low118 Ų118112.9 Ų112.977%0.76678%0.783SS**  cis-131.2168.6-9.330.8-9.7000114.3
402S37.6Very low32.9Very low117 Ų117120.7 Ų120.782%0.81879%0.789SS**  trans-71.9153155.3-46.20000111
403P43.9Very low33.4Very low121 Ų121119.4 Ų119.479%0.78678%0.781SS**  trans-116.8168.1151.827.1-10.3000112.7
404P38.3Very low34.1Very low131 Ų131121.8 Ų121.885%0.85179%0.787SS**  trans-110.9173-134.238-29.6000115.5
405S32.8Very low35.1Very low122 Ų122127.4 Ų127.485%0.85379%0.79SS**  trans-91.8126.1171.8160.40000111
406A33.3Very low36Very low99 Ų99138.7 Ų138.782%0.81882%0.815SS**  trans-174.6145.615600000106.9
407A30.8Very low36.5Very low98 Ų98137.4 Ų137.481%0.8181%0.813SS**  cis-162.8167.31.600000108.8
408A31.4Very low37Very low89 Ų89139.8 Ų139.874%0.73682%0.816SS**  trans-49.7137.9171.300000114.6
409R33.9Very low37.5Very low218 Ų218142.4 Ų142.482%0.82382%0.819SS**  124167.5102-109.1176.7177.4-107.20.7108.2
410P40.1Very low38.2Very low113 Ų113144.4 Ų144.473%0.73482%0.822SS**  cis-131.8174.62.134.3-13.6000115.5
411S38.1Very low38.7Very low99 Ų99146.4 Ų146.469%0.69283%0.825SS**  trans-79145.9173.87.90000113.9
412R39.2Very low38.8Very low239 Ų239148.3 Ų148.390%0.90283%0.829SS**  trans177.1166.1144.2-111.3-175.6166.2-131.3-1110.6
413P45.8Very low38.8Very low108 Ų108150.6 Ų150.670%0.70183%0.83SS**  -124.3178.9-58.326.2-4.7000111.7
414S42.3Very low38.4Very low117 Ų117152.8 Ų152.882%0.81883%0.833SS**  trans-66.2148.5174.563.70000113.6
415R47.8Very low38.5Very low238 Ų238154.7 Ų154.790%0.89883%0.831SS**  trans-157.5126.5144.9-125.7177.7-175.5-118.81.5111.3
416R46.2Very low39Very low316 Ų316157.6 Ų157.6100%1.19283%0.829SS**  trans69.60169.7-94.8177.3177.7-105.80.2119.2

Retrieved 416 of 416 residues in 679.2 ms (Link to these results)

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