A0A5K4EME8_SCHMA Loading...

Putative malate dehydrogenase

AlphaFold DB , UniProt , Accession A0A5K4EME8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 307 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
1M67Low46.6Very low0 Ų0101.8 Ų101.80%047%0.469CS..  0163.20139-74.5-82.400105.9L3 A134 G161 L162 I301 Y302 D303M1-L3 HydrophobicContact CE-CD1 3.74Å; M1-L3 HydrophobicContact CE-CG 4.25Å; M1-L3 HydrophobicContact CG-CG 4.26Å; M1-L3 HydrophobicContact SD-CD1 3.57Å; M1-L3 VanDerWaalsContact SD-CD1 3.57Å; M1-L3 HydrophobicContact SD-CD2 4.25Å; M1-L3 HydrophobicContact SD-CG 3.44Å; M1-L3 WeakPolarHBondContact SD-CG 3.41Å; M1-A134 VanDerWaalsContact CA-O 3.28Å; M1-A134 WeakPolarHBondContact CA-O 3.3Å; M1-A134 VanDerWaalsContact CB-O 3.24Å; M1-A134 WeakPolarHBondContact CB-O 3.39Å; M1-A134 WeakPolarHBondContact CG-O 3.02Å; M1-G161 CarbonylContact O-C 3.51Å; M1-G161 VanDerWaalsContact O-CA 3.23Å; M1-G161 WeakPolarHBondContact O-CA 3.2Å; M1-L162 HydrophobicContact CE-CB 3.85Å; M1-L162 HydrophobicContact CE-CD1 3Å; M1-L162 HydrophobicContact CE-CD2 3.65Å; M1-L162 HydrophobicContact CE-CG 3.6Å; M1-L162 PolarHBondContact N-O 3.39Å; M1-L162 PolarHBondContact O-N 3.14Å; M1-L162 HydrophobicContact SD-CB 4.48Å; M1-L162 HydrophobicContact SD-CD1 3.92Å; M1-I301 HydrophobicContact CB-CG2 4.06Å; M1-Y302 WeakPolarHBondContact CB-O 3.29Å; M1-Y302 VanDerWaalsContact CE-C 3.49Å; M1-Y302 WeakPolarHBondContact CE-O 2.73Å; M1-Y302 VanDerWaalsContact CG-O 3.31Å; M1-Y302 WeakPolarHBondContact CG-O 3.29Å; M1-D303 HydrophobicContact CE-CB 3.18Å; M1-D303 VanDerWaalsContact CE-OD1 3.32Å; M1-D303 WeakPolarHBondContact CE-OD1 3.44Å; M1-D303 HydrophobicContact CG-CB 3.55Å; M1-D303 VanDerWaalsContact CG-N 3.31Å; M1-D303 HydrophobicContact SD-CB 3.59Å; M1-D303 VanDerWaalsContact SD-CB 3.59Å
2V54.5Low45.7Very low0 Ų099.3 Ų99.30%049%0.492CS..EExtended strand (participates in β ladder)trans-132127.3-179.3-172.90000108M121 A124 I125 A128 I133 A134 A154 L159 I160V2-M121 HydrophobicContact CG2-SD 3.52Å; V2-M121 VanDerWaalsContact CG2-SD 3.52Å; V2-A124 HydrophobicContact CG2-CB 3.73Å; V2-I125 HydrophobicContact CG1-CG1 4.17Å; V2-I125 HydrophobicContact CG2-CG1 3.78Å; V2-A128 HydrophobicContact CB-CB 3.57Å; V2-A128 HydrophobicContact CG1-CB 3.71Å; V2-A128 WeakPolarHBondContact O-CB 3.42Å; V2-I133 WeakPolarHBondContact O-CA 3.27Å; V2-A134 PolarHBondContact N-O 3.39Å; V2-A134 PolarHBondContact O-N 2.74Å; V2-A154 HydrophobicContact CB-CB 4.47Å; V2-A154 HydrophobicContact CG1-CB 4.01Å; V2-A154 HydrophobicContact CG2-CB 3.8Å; V2-L159 HydrophobicContact CG1-CB 3.24Å; V2-L159 HydrophobicContact CG1-CD1 3.14Å; V2-L159 HydrophobicContact CG1-CD2 4.21Å; V2-L159 HydrophobicContact CG1-CG 3.64Å; V2-I160 CarbonylContact C-O 3.55Å; V2-I160 WeakPolarHBondContact CA-O 3.18Å
3L59.1Low45Very low19 Ų19104 Ų10410%0.09952%0.52CS..EExtended strand (participates in β ladder)trans-123148.6178.8-59.2153.6000112M1 I133 L159 I160 D303M1-L3 HydrophobicContact CE-CD1 3.74Å; M1-L3 HydrophobicContact CE-CG 4.25Å; M1-L3 HydrophobicContact CG-CG 4.26Å; M1-L3 HydrophobicContact SD-CD1 3.57Å; M1-L3 VanDerWaalsContact SD-CD1 3.57Å; M1-L3 HydrophobicContact SD-CD2 4.25Å; M1-L3 HydrophobicContact SD-CG 3.44Å; M1-L3 WeakPolarHBondContact SD-CG 3.41Å; L3-I133 HydrophobicContact CD2-CB 4.11Å; L3-I133 HydrophobicContact CD2-CD1 3.77Å; L3-I133 HydrophobicContact CD2-CG1 3.73Å; L3-L159 CarbonylContact O-C 3.54Å; L3-L159 WeakPolarHBondContact O-CA 3.37Å; L3-L159 VanDerWaalsContact O-CB 3.25Å; L3-L159 WeakPolarHBondContact O-CB 3.12Å; L3-L159 VanDerWaalsContact O-CD2 3.25Å; L3-L159 WeakPolarHBondContact O-CD2 3.31Å; L3-I160 HydrophobicContact CB-CB 4.1Å; L3-I160 HydrophobicContact CD1-CB 3.97Å; L3-I160 HydrophobicContact CD1-CD1 4.19Å; L3-I160 HydrophobicContact CD1-CG2 4.07Å; L3-I160 PolarHBondContact N-O 3.38Å; L3-I160 PolarHBondContact O-N 3.46Å; L3-D303 HydrophobicContact CD1-CB 3.89Å; L3-D303 WeakPolarHBondContact CD1-OD2 3.47Å; L3-D303 HydrophobicContact CD2-CB 3.65Å; L3-D303 WeakPolarHBondContact CD2-OD2 3.48Å; L3-D303 HydrophobicContact CG-CB 4.02Å
4R44.8Very low44.6Very low183 Ų183112.9 Ų112.969%0.69154%0.544SS*.  trans-92.9129.1163.4-150.7172.6-178.5-173.90.4109.7G132 L159R4-G132 PolarHBondContact N-O 3.18Å; R4-G132 VanDerWaalsContact N-O 3.12Å; R4-L159 HydrophobicContact CB-CD2 4.15Å; R4-L159 HydrophobicContact CG-CD2 4.25Å
5Y52.6Low43.9Very low85 Ų85111 Ų11133%0.33357%0.566SS.*  trans-133.6165.4-171.8-173.1-101.2000113.5F8 I160Y5-F8 HydrophobicContact CD1-CD2 4.44Å; Y5-F8 AromaticContact CE1-CD2 3.33Å; Y5-F8 HydrophobicContact CE1-CD2 3.33Å; Y5-F8 AromaticContact CE1-CE2 3.61Å; Y5-F8 HydrophobicContact CE1-CE2 3.61Å; Y5-F8 HydrophobicContact CE1-CG 4.19Å; Y5-F8 HydrophobicContact CE2-CD2 4.5Å; Y5-F8 AromaticContact CE2-CE2 3.97Å; Y5-F8 HydrophobicContact CE2-CE2 3.97Å; Y5-F8 AromaticContact CZ-CD2 3.44Å; Y5-F8 VanDerWaalsContact CZ-CD2 3.44Å; Y5-F8 AromaticContact CZ-CE2 3.14Å; Y5-F8 AromaticContact CZ-CZ 3.91Å; Y5-F8 VanDerWaalsContact OH-CD2 3.29Å; Y5-F8 WeakPolarHBondContact OH-CD2 3.44Å; Y5-F8 WeakPolarHBondContact OH-CE2 3.47Å; Y5-F8 WeakPolarHBondContact OH-CZ 3.25Å; Y5-I160 HydrophobicContact CD1-CD1 4.36Å; Y5-I160 HydrophobicContact CD2-CD1 4.14Å; Y5-I160 HydrophobicContact CG-CD1 3.75Å
6R42.4Very low43.5Very low220 Ų220119.4 Ų119.483%0.8359%0.588SS**  trans-116.293171.4-80.2-173.8173.5-176.8-0.1112.4
7F38Very low42.9Very low135 Ų135124.2 Ų124.259%0.59261%0.605SS**  trans27.6121.5163.9-63.3-67.1000121.8K193F7-K193 HydrophobicContact CB-CD 4.11Å; F7-K193 HydrophobicContact CB-CG 3.6Å; F7-K193 HydrophobicContact CD1-CB 4.1Å; F7-K193 HydrophobicContact CD1-CG 3.4Å; F7-K193 VanDerWaalsContact CD1-CG 3.4Å; F7-K193 HydrophobicContact CE1-CG 4.27Å; F7-K193 HydrophobicContact CG-CG 3.77Å
8F41.1Very low42.7Very low137 Ų137126 Ų12660%0.60162%0.617SS**  trans-116.8156.1159.7-76.2-68.9000111.8Y5Y5-F8 HydrophobicContact CD1-CD2 4.44Å; Y5-F8 AromaticContact CE1-CD2 3.33Å; Y5-F8 HydrophobicContact CE1-CD2 3.33Å; Y5-F8 AromaticContact CE1-CE2 3.61Å; Y5-F8 HydrophobicContact CE1-CE2 3.61Å; Y5-F8 HydrophobicContact CE1-CG 4.19Å; Y5-F8 HydrophobicContact CE2-CD2 4.5Å; Y5-F8 AromaticContact CE2-CE2 3.97Å; Y5-F8 HydrophobicContact CE2-CE2 3.97Å; Y5-F8 AromaticContact CZ-CD2 3.44Å; Y5-F8 VanDerWaalsContact CZ-CD2 3.44Å; Y5-F8 AromaticContact CZ-CE2 3.14Å; Y5-F8 AromaticContact CZ-CZ 3.91Å; Y5-F8 VanDerWaalsContact OH-CD2 3.29Å; Y5-F8 WeakPolarHBondContact OH-CD2 3.44Å; Y5-F8 WeakPolarHBondContact OH-CE2 3.47Å; Y5-F8 WeakPolarHBondContact OH-CZ 3.25Å
9G31.8Very low42.6Very low59 Ų59124.9 Ų124.961%0.60862%0.623SS**  trans-120.1123175.700000110.5
10V43.6Very low43Very low99 Ų99122.8 Ų122.860%0.661%0.611SS**  trans-149.689.2-174.7-168.50000109.7
11F38Very low43.4Very low183 Ų183124.6 Ų124.680%0.80361%0.612SS**  trans85147.2165.8-53.4-64.4000120.5
12G36Very low43Very low72 Ų72129.2 Ų129.274%0.74264%0.641SS**  trans-95.6162.3-174.400000114.7
13N36.4Very low43.2Very low160 Ų160131.3 Ų131.386%0.85665%0.654SS**  trans-74.5128.5-164.3-148.4-10.2000113.2
14R38.8Very low43.5Very low229 Ų229135.5 Ų135.586%0.86468%0.683SS**  trans-131.4125.7160.6-74.1-167.5-171-172.84.3109R16R14-R16 PolarHBondContact O-N 3.38Å
15G34.5Very low44.6Very low84 Ų84130.6 Ų130.687%0.86669%0.688SS**PPolyproline II helixtrans-56.4128.5178.800000112.1
16R37.3Very low45.3Very low246 Ų246134.8 Ų134.893%0.92871%0.705SS**PPolyproline II helixtrans-90.6137174.9-70.9-177-176.9156.13110.2R14R14-R16 PolarHBondContact O-N 3.38Å
17K33.9Very low46.5Very low200 Ų200129.5 Ų129.587%0.8770%0.702SS**PPolyproline II helixtrans-87.4139.8158.8-70.6-176.3177.2-178.40108.3S19K17-S19 PolarHBondContact O-N 3.37Å
18L38.5Very low48.4Very low157 Ų157131.1 Ų131.182%0.82271%0.711SS**PPolyproline II helixtrans-57.8122.3173-77163.1000109.5H20L18-H20 PolarHBondContact O-N 3.35Å
19S40.6Very low50.3Low105 Ų105131.5 Ų131.573%0.73472%0.724SS**  trans-93.559.8-177.763.20000111K17K17-S19 PolarHBondContact O-N 3.37Å
20H51.1Low52.8Low82 Ų82133.8 Ų133.838%0.3872%0.722SS.*  trans-128.9130.3-178.8-65.4-51000113.3L18 T22 G67 Y69L18-H20 PolarHBondContact O-N 3.35Å; H20-T22 PolarHBondContact O-N 2.9Å; H20-G67 WeakPolarHBondContact NE2-CA 3.37Å; H20-Y69 PolarHBondContact CD2-OH 3.14Å; H20-Y69 AromaticContact CE1-CE2 3.68Å; H20-Y69 AromaticContact CG-CE2 3.94Å; H20-Y69 AromaticContact CG-CZ 3.95Å; H20-Y69 AromaticContact ND1-CE2 3.52Å; H20-Y69 AromaticContact ND1-CZ 3.99Å
21Y52.5Low54.9Low161 Ų161131.3 Ų131.363%0.63171%0.708SS**  trans-76.1107.7169.2172.2-98.5000108.1P23 P24Y21-P23 HydrophobicContact CD1-CB 4.48Å; Y21-P23 HydrophobicContact CD1-CG 4.13Å; Y21-P23 HydrophobicContact CE1-CB 3.83Å; Y21-P23 HydrophobicContact CE1-CG 3.92Å; Y21-P23 WeakPolarHBondContact O-CD 3.25Å; Y21-P24 WeakPolarHBondContact OH-CD 3.47Å
22T57.1Low57.3Low98 Ų98126.1 Ų126.160%0.60169%0.692SS**PPolyproline II helixtrans-75.9117.8160.8-57.90000107.1H20 Y26H20-T22 PolarHBondContact O-N 2.9Å; T22-Y26 WeakPolarHBondContact CG2-O 3.16Å
23P59.4Low60Low44 Ų44130 Ų13029%0.28669%0.691SS.*PPolyproline II helixtrans-59.6146177.6-18.930.3000111.1Y21 G25 Y26Y21-P23 HydrophobicContact CD1-CB 4.48Å; Y21-P23 HydrophobicContact CD1-CG 4.13Å; Y21-P23 HydrophobicContact CE1-CB 3.83Å; Y21-P23 HydrophobicContact CE1-CG 3.92Å; Y21-P23 WeakPolarHBondContact O-CD 3.25Å; P23-G25 PolarHBondContact O-N 2.98Å; P23-Y26 HydrophobicContact CB-CD2 3.72Å; P23-Y26 HydrophobicContact CB-CE2 3.84Å; P23-Y26 HydrophobicContact CG-CD2 4.04Å; P23-Y26 HydrophobicContact CG-CE2 4Å; P23-Y26 WeakPolarHBondContact O-CD2 3.11Å; P23-Y26 PolarHBondContact O-N 3.13Å
24P65.9Low62.7Low107 Ų107127.7 Ų127.770%0.69568%0.675SS**THydrogen-bonded Turntrans-50.8133.7172.4-25.632.4000111Y21Y21-P24 WeakPolarHBondContact OH-CD 3.47Å
25G68.3Low65.3Low79 Ų79118.3 Ų118.381%0.81464%0.643SS**THydrogen-bonded Turntrans96-12.2-179.100000115.5P23 S27P23-G25 PolarHBondContact O-N 2.98Å; G25-S27 PolarHBondContact O-N 3.31Å
26Y65.7Low68.3Low173 Ų173117.3 Ų117.368%0.67862%0.615SS**  trans-85.492.6171.9-72.8-111000109.5T22 P23T22-Y26 WeakPolarHBondContact CG2-O 3.16Å; P23-Y26 HydrophobicContact CB-CD2 3.72Å; P23-Y26 HydrophobicContact CB-CE2 3.84Å; P23-Y26 HydrophobicContact CG-CD2 4.04Å; P23-Y26 HydrophobicContact CG-CE2 4Å; P23-Y26 WeakPolarHBondContact O-CD2 3.11Å; P23-Y26 PolarHBondContact O-N 3.13Å
27S67.5Low71.1Confident109 Ų109111.9 Ų111.976%0.76260%0.598SS**  trans-105.6-12.1-177.158.40000114.4G25G25-S27 PolarHBondContact O-N 3.31Å
28Q77.6Confident74.2Confident170 Ų170107.5 Ų107.579%0.79458%0.579SS**  trans-96132.7-176.2-66.6-173.9-23.800111.2
29V81Confident77Confident145 Ų145100 Ų10088%0.87954%0.54SS*.  trans-100.1134.9169.7-179.40000107.6
30I84.6Confident79.8Confident107 Ų10796 Ų9655%0.54951%0.51SS..  trans-118.9139.7176.9-56.9175.5000107.4E34 V35I30-E34 HydrophobicContact CG2-CB 3.8Å; I30-V35 HydrophobicContact CB-CG2 4.43Å; I30-V35 HydrophobicContact CG2-CG2 3.86Å
31S87.8Confident82Confident46 Ų4697.2 Ų97.232%0.32252%0.516SS..  trans-67.7148.3177.6670000111.1E33 E34 V35S31-E33 PolarHBondContact O-N 3.32Å; S31-E34 PolarHBondContact N-OE2 2.92Å; S31-E34 VanDerWaalsContact N-OE2 3.16Å; S31-E34 PolarHBondContact O-N 3.07Å; S31-E34 VanDerWaalsContact OG-CB 3.32Å; S31-E34 WeakPolarHBondContact OG-CB 3.22Å; S31-E34 VanDerWaalsContact OG-CD 3.26Å; S31-E34 WeakPolarHBondContact OG-CG 3.44Å; S31-E34 PolarHBondContact OG-N 2.98Å; S31-E34 VanDerWaalsContact OG-N 3.14Å; S31-E34 PolarHBondContact OG-OE2 3.02Å; S31-V35 PolarHBondContact O-N 2.94Å; S31-V35 VanDerWaalsContact O-N 3.16Å
32T89Confident84.2Confident75 Ų7591.2 Ų91.246%0.4650%0.497SS..Hα-helixtrans-60.1-31.5174.9480000111.9V35 K36 V61 Y65T32-V35 PolarHBondContact O-N 3.39Å; T32-K36 WeakPolarHBondContact O-CB 3.49Å; T32-K36 PolarHBondContact O-N 3.46Å; T32-V61 HydrophobicContact CG2-CG1 4.22Å; T32-Y65 HydrophobicContact CG2-CD2 4.31Å
33E92Very high86.2Confident152 Ų15286.5 Ų86.571%0.7147%0.468SS*.Hα-helixtrans-65.6-43.7176.6-66169.6179.100112.2S31 K36 K37S31-E33 PolarHBondContact O-N 3.32Å; E33-K36 PolarHBondContact O-N 3.44Å; E33-K37 WeakPolarHBondContact O-CB 3.25Å; E33-K37 PolarHBondContact O-N 3.35Å
34E94.4Very high88Confident113 Ų11388.5 Ų88.553%0.52847%0.474SS..Hα-helixtrans-65.2-42.3175.4-76.3167.7137.600111.7I30 S31 K36 K37 F38I30-E34 HydrophobicContact CG2-CB 3.8Å; S31-E34 PolarHBondContact N-OE2 2.92Å; S31-E34 VanDerWaalsContact N-OE2 3.16Å; S31-E34 PolarHBondContact O-N 3.07Å; S31-E34 VanDerWaalsContact OG-CB 3.32Å; S31-E34 WeakPolarHBondContact OG-CB 3.22Å; S31-E34 VanDerWaalsContact OG-CD 3.26Å; S31-E34 WeakPolarHBondContact OG-CG 3.44Å; S31-E34 PolarHBondContact OG-N 2.98Å; S31-E34 VanDerWaalsContact OG-N 3.14Å; S31-E34 PolarHBondContact OG-OE2 3.02Å; E34-K36 VanDerWaalsContact C-N 3.33Å; E34-K36 PolarHBondContact O-N 2.69Å; E34-K37 PolarHBondContact O-N 2.79Å; E34-F38 WeakPolarHBondContact O-CB 3.34Å; E34-F38 PolarHBondContact O-N 3.45Å
35V93.2Very high89.6Confident31 Ų3192.2 Ų92.219%0.18848%0.479CS..Hα-helixtrans-61.2-44.7174.9178.90000110.5I30 S31 T32 K37 F38 C39 V61 L73I30-V35 HydrophobicContact CB-CG2 4.43Å; I30-V35 HydrophobicContact CG2-CG2 3.86Å; S31-V35 PolarHBondContact O-N 2.94Å; S31-V35 VanDerWaalsContact O-N 3.16Å; T32-V35 PolarHBondContact O-N 3.39Å; V35-K37 PolarHBondContact O-N 3.4Å; V35-F38 PolarHBondContact O-N 3.39Å; V35-C39 PolarHBondContact O-N 2.86Å; V35-C39 PolarHBondContact O-SG 3.12Å; V35-C39 VanDerWaalsContact O-SG 3.37Å; V35-V61 HydrophobicContact CB-CG2 4.38Å; V35-V61 HydrophobicContact CG1-CG2 3.9Å; V35-L73 HydrophobicContact CG1-CD1 4.24Å; V35-L73 HydrophobicContact CG1-CD2 4.12Å
36K96.4Very high91Very high63 Ų6389.9 Ų89.927%0.27445%0.449SS..Hα-helixtrans-60-46.5177179.9171.9-178.1170.20111.4T32 E33 E34 F38 C39 I40 S57 D58 V61T32-K36 WeakPolarHBondContact O-CB 3.49Å; T32-K36 PolarHBondContact O-N 3.46Å; E33-K36 PolarHBondContact O-N 3.44Å; E34-K36 VanDerWaalsContact C-N 3.33Å; E34-K36 PolarHBondContact O-N 2.69Å; K36-F38 VanDerWaalsContact C-N 3.35Å; K36-F38 PolarHBondContact O-N 2.93Å; K36-C39 PolarHBondContact O-N 3.35Å; K36-I40 HydrophobicContact CG-CD1 3.88Å; K36-I40 VanDerWaalsContact O-CG1 3.3Å; K36-I40 WeakPolarHBondContact O-CG1 3.37Å; K36-I40 PolarHBondContact O-N 3.21Å; K36-S57 VanDerWaalsContact CA-OG 3.27Å; K36-S57 WeakPolarHBondContact CA-OG 3.46Å; K36-S57 WeakPolarHBondContact CG-OG 3.31Å; K36-S57 PolarHBondContact O-OG 3.08Å; K36-D58 WeakPolarHBondContact CD-OD1 3.42Å; K36-D58 WeakPolarHBondContact CE-OD1 3.28Å; K36-D58 IonicContact NZ-OD1 3.49Å; K36-D58 PolarHBondContact NZ-OD1 3.15Å; K36-D58 IonicContact NZ-OD2 3.36Å; K36-D58 PolarHBondContact NZ-OD2 2.58Å; K36-V61 HydrophobicContact CB-CG2 4.33Å
37K97.6Very high92.4Very high133 Ų13383.7 Ų83.758%0.57844%0.438SS*.Hα-helixtrans-60.1-44.1177.4-175.3179179-178.50111.8E33 E34 V35 I40 Q41E33-K37 WeakPolarHBondContact O-CB 3.25Å; E33-K37 PolarHBondContact O-N 3.35Å; E34-K37 PolarHBondContact O-N 2.79Å; V35-K37 PolarHBondContact O-N 3.4Å; K37-I40 PolarHBondContact O-N 2.93Å; K37-Q41 VanDerWaalsContact O-CG 3.29Å; K37-Q41 WeakPolarHBondContact O-CG 3.34Å; K37-Q41 PolarHBondContact O-N 3.33Å
38F97.6Very high93.9Very high107 Ų10778.8 Ų78.847%0.46940%0.404SS..Hα-helixtrans-60.2-50.2177.1173.8-104.3000111.9E34 V35 K36 I40 Q41 C42 L73 L76E34-F38 WeakPolarHBondContact O-CB 3.34Å; E34-F38 PolarHBondContact O-N 3.45Å; V35-F38 PolarHBondContact O-N 3.39Å; K36-F38 VanDerWaalsContact C-N 3.35Å; K36-F38 PolarHBondContact O-N 2.93Å; F38-I40 VanDerWaalsContact C-N 3.34Å; F38-I40 PolarHBondContact O-N 3.5Å; F38-Q41 PolarHBondContact O-N 3.48Å; F38-C42 VanDerWaalsContact CZ-SG 3.57Å; F38-C42 PolarHBondContact O-N 3.09Å; F38-C42 PolarHBondContact O-SG 3.49Å; F38-C42 VanDerWaalsContact O-SG 3.41Å; F38-L73 HydrophobicContact CD1-CD1 4.48Å; F38-L76 HydrophobicContact CD1-CD2 4.14Å; F38-L76 HydrophobicContact CE1-CD2 3.76Å
39C98Very high94.8Very high0 Ų074 Ų740%038%0.381CS..Hα-helixtrans-54.8-48.4175.8-72.90000112V35 K36 Q41 C42 L43 S57 L73 L76V35-C39 PolarHBondContact O-N 2.86Å; V35-C39 PolarHBondContact O-SG 3.12Å; V35-C39 VanDerWaalsContact O-SG 3.37Å; K36-C39 PolarHBondContact O-N 3.35Å; C39-Q41 PolarHBondContact O-N 2.8Å; C39-C42 PolarHBondContact O-N 3.45Å; C39-L43 WeakPolarHBondContact O-CD1 3.45Å; C39-L43 VanDerWaalsContact O-CG 3.28Å; C39-L43 WeakPolarHBondContact O-CG 3.48Å; C39-L43 PolarHBondContact O-N 3.28Å; C39-S57 WeakPolarHBondContact CB-OG 3.24Å; C39-L73 WeakPolarHBondContact SG-CD1 3.44Å; C39-L76 HydrophobicContact CB-CD1 4.43Å
40I98.5Very high95.6Very high22 Ų2271.8 Ų71.811%0.11336%0.364CS..Hα-helixtrans-59.4-47.2179.2-69.7168.4000110.6K36 K37 F38 C42 L43 Q44 L50 A53K36-I40 HydrophobicContact CG-CD1 3.88Å; K36-I40 VanDerWaalsContact O-CG1 3.3Å; K36-I40 WeakPolarHBondContact O-CG1 3.37Å; K36-I40 PolarHBondContact O-N 3.21Å; K37-I40 PolarHBondContact O-N 2.93Å; F38-I40 VanDerWaalsContact C-N 3.34Å; F38-I40 PolarHBondContact O-N 3.5Å; I40-C42 PolarHBondContact O-N 3.49Å; I40-L43 PolarHBondContact O-N 2.84Å; I40-Q44 HydrophobicContact CG2-CG 4.18Å; I40-Q44 WeakPolarHBondContact O-CB 3.3Å; I40-Q44 WeakPolarHBondContact O-CG 3.43Å; I40-Q44 PolarHBondContact O-N 2.81Å; I40-L50 HydrophobicContact CG2-CD1 3.74Å; I40-A53 HydrophobicContact CG1-CB 4.5Å; I40-A53 HydrophobicContact CG2-CB 4.21Å
41Q98.6Very high96.2Very high106 Ų10671.7 Ų71.750%0.49536%0.36SS..Hα-helixtrans-61.5-43.1179.6-73.7176-22.200112.5K37 F38 C39 L43 K45K37-Q41 VanDerWaalsContact O-CG 3.29Å; K37-Q41 WeakPolarHBondContact O-CG 3.34Å; K37-Q41 PolarHBondContact O-N 3.33Å; F38-Q41 PolarHBondContact O-N 3.48Å; C39-Q41 PolarHBondContact O-N 2.8Å; Q41-L43 PolarHBondContact O-N 2.86Å; Q41-K45 VanDerWaalsContact O-CB 3.31Å; Q41-K45 WeakPolarHBondContact O-CB 3.23Å; Q41-K45 PolarHBondContact O-N 2.96Å
42C98.5Very high96.7Very high35 Ų3569.6 Ų69.624%0.23635%0.345CS..Hα-helixtrans-59.8-45.1175.6-71.20000112F38 C39 I40 K45 V46 L76 V80F38-C42 VanDerWaalsContact CZ-SG 3.57Å; F38-C42 PolarHBondContact O-N 3.09Å; F38-C42 PolarHBondContact O-SG 3.49Å; F38-C42 VanDerWaalsContact O-SG 3.41Å; C39-C42 PolarHBondContact O-N 3.45Å; I40-C42 PolarHBondContact O-N 3.49Å; C42-K45 PolarHBondContact O-N 3.48Å; C42-V46 PolarHBondContact O-N 3.21Å; C42-L76 HydrophobicContact CB-CD2 4.23Å; C42-V80 HydrophobicContact CB-CG2 4.37Å
43L98.3Very high97.2Very high0 Ų066 Ų660%032%0.323CS..Hα-helixtrans-70.9-42.3-178.1-67.9164.9000112.1C39 I40 Q41 K45 V46 G47 A48 A53 L56 L76 V80 I83C39-L43 WeakPolarHBondContact O-CD1 3.45Å; C39-L43 VanDerWaalsContact O-CG 3.28Å; C39-L43 WeakPolarHBondContact O-CG 3.48Å; C39-L43 PolarHBondContact O-N 3.28Å; I40-L43 PolarHBondContact O-N 2.84Å; Q41-L43 PolarHBondContact O-N 2.86Å; L43-K45 VanDerWaalsContact C-N 3.27Å; L43-K45 PolarHBondContact O-N 2.93Å; L43-V46 WeakPolarHBondContact O-CG2 3.15Å; L43-V46 PolarHBondContact O-N 2.87Å; L43-G47 PolarHBondContact O-N 3.46Å; L43-A48 HydrophobicContact CB-CB 4.02Å; L43-A48 VanDerWaalsContact O-CB 3.31Å; L43-A48 WeakPolarHBondContact O-CB 3.14Å; L43-A48 PolarHBondContact O-N 3.07Å; L43-A53 HydrophobicContact CB-CB 3.75Å; L43-A53 HydrophobicContact CD1-CB 4.17Å; L43-L56 HydrophobicContact CD1-CB 4.06Å; L43-L56 HydrophobicContact CD1-CD2 3.55Å; L43-L56 HydrophobicContact CD1-CG 3.93Å; L43-L56 HydrophobicContact CD2-CD2 3.62Å; L43-L56 HydrophobicContact CG-CD2 4.24Å; L43-L76 HydrophobicContact CD1-CD1 4.31Å; L43-L76 HydrophobicContact CD2-CD1 4.23Å; L43-L76 HydrophobicContact CG-CD1 4.09Å; L43-V80 HydrophobicContact CD2-CG2 4.31Å; L43-I83 HydrophobicContact CD2-CD1 3.92Å
44Q98.1Very high97.5Very high86 Ų8660.6 Ų60.640%0.40230%0.3SS..Hα-helixtrans-63.6-35.3174.9-71.7-170.8-68.500111.9I40 V46 G47 A53I40-Q44 HydrophobicContact CG2-CG 4.18Å; I40-Q44 WeakPolarHBondContact O-CB 3.3Å; I40-Q44 WeakPolarHBondContact O-CG 3.43Å; I40-Q44 PolarHBondContact O-N 2.81Å; Q44-V46 PolarHBondContact O-N 3.28Å; Q44-G47 PolarHBondContact O-N 2.83Å; Q44-A53 HydrophobicContact CG-CB 4.18Å
45K98.3Very high97.6Very high184 Ų18455.8 Ų55.880%0.828%0.28SS*.Hα-helixtrans-60.9-29177.2-177.357.7178.51780112.7Q41 C42 L43Q41-K45 VanDerWaalsContact O-CB 3.31Å; Q41-K45 WeakPolarHBondContact O-CB 3.23Å; Q41-K45 PolarHBondContact O-N 2.96Å; C42-K45 PolarHBondContact O-N 3.48Å; L43-K45 VanDerWaalsContact C-N 3.27Å; L43-K45 PolarHBondContact O-N 2.93Å
46V97.6Very high97.9Very high30 Ų3054.3 Ų54.318%0.18227%0.271CS..THydrogen-bonded Turntrans-96.48176-610000113.6C42 L43 Q44 V80 I83 Q84C42-V46 PolarHBondContact O-N 3.21Å; L43-V46 WeakPolarHBondContact O-CG2 3.15Å; L43-V46 PolarHBondContact O-N 2.87Å; Q44-V46 PolarHBondContact O-N 3.28Å; V46-V80 HydrophobicContact CG1-CG1 3.77Å; V46-V80 HydrophobicContact CG2-CG1 4.4Å; V46-I83 HydrophobicContact CB-CB 4.46Å; V46-I83 HydrophobicContact CB-CG2 3.93Å; V46-I83 HydrophobicContact CG2-CB 3.91Å; V46-I83 HydrophobicContact CG2-CD1 3.91Å; V46-I83 HydrophobicContact CG2-CG2 3.69Å; V46-I83 WeakPolarHBondContact O-CG2 3.22Å; V46-Q84 HydrophobicContact CB-CG 3.99Å; V46-Q84 HydrophobicContact CG1-CG 3.57Å
47G97Very high97.9Very high44 Ų4451.3 Ų51.345%0.45426%0.258SS..THydrogen-bonded Turntrans106.3-1.7169.800000115.6L43 Q44 Q49 T90L43-G47 PolarHBondContact O-N 3.46Å; Q44-G47 PolarHBondContact O-N 2.83Å; G47-Q49 PolarHBondContact O-N 3.42Å; G47-T90 WeakPolarHBondContact O-CB 3.35Å
48A97.5Very high98Very high5 Ų547.1 Ų47.14%0.04124%0.242CC..  trans-64.1136.3177.400000111.7L43 A53 I83 T90L43-A48 HydrophobicContact CB-CB 4.02Å; L43-A48 VanDerWaalsContact O-CB 3.31Å; L43-A48 WeakPolarHBondContact O-CB 3.14Å; L43-A48 PolarHBondContact O-N 3.07Å; A48-A53 HydrophobicContact CB-CB 4.31Å; A48-I83 HydrophobicContact CB-CD1 4.15Å; A48-T90 HydrophobicContact CB-CG2 4.4Å
49Q97Very high97.9Very high69 Ų6942 Ų4232%0.32222%0.219SC..  trans-61.4148.5169.8-70.5177.15.900111.2G47 K51 H52 A53 T90 E93G47-Q49 PolarHBondContact O-N 3.42Å; Q49-K51 HydrophobicContact CB-CG 4.21Å; Q49-K51 PolarHBondContact O-N 3.49Å; Q49-K51 VanDerWaalsContact O-N 3.16Å; Q49-H52 PolarHBondContact O-N 2.98Å; Q49-A53 WeakPolarHBondContact O-CB 2.87Å; Q49-A53 PolarHBondContact O-N 2.82Å; Q49-T90 WeakPolarHBondContact CG-O 3.14Å; Q49-E93 PolarHBondContact OE1-OE1 3.26Å
50L98Very high97.9Very high100 Ų10042.1 Ų42.152%0.52422%0.22SC..Hα-helixtrans-51.7-43.3-177.9177.260.3000112.6I40 A53 T54I40-L50 HydrophobicContact CG2-CD1 3.74Å; L50-A53 PolarHBondContact O-N 3.15Å; L50-T54 VanDerWaalsContact O-CB 3.31Å; L50-T54 WeakPolarHBondContact O-CB 3.44Å; L50-T54 PolarHBondContact O-N 2.75Å; L50-T54 PolarHBondContact O-OG1 3.28Å
51K97.5Very high97.7Very high105 Ų10542.1 Ų42.146%0.45722%0.221SC..Hα-helixtrans-63.4-41.7178.551.9164175.2-174.80113.2Q49 T54 A55 E93Q49-K51 HydrophobicContact CB-CG 4.21Å; Q49-K51 PolarHBondContact O-N 3.49Å; Q49-K51 VanDerWaalsContact O-N 3.16Å; K51-T54 PolarHBondContact O-N 2.96Å; K51-A55 WeakPolarHBondContact O-CB 3.47Å; K51-A55 PolarHBondContact O-N 2.78Å; K51-E93 VanDerWaalsContact CE-CD 3.49Å; K51-E93 WeakPolarHBondContact CE-OE1 3.2Å; K51-E93 IonicContact NZ-OE1 2.6Å; K51-E93 PolarHBondContact NZ-OE1 3.1Å; K51-E93 IonicContact NZ-OE2 2.96Å; K51-E93 PolarHBondContact NZ-OE2 3.3Å
52H98Very high97.4Very high1 Ų137.8 Ų37.81%0.00520%0.203CC..Hα-helixtrans-69.1-43.5178.7-71.4-163.6000111.1Q49 T54 A55 L56 L92 E93 L112 V115Q49-H52 PolarHBondContact O-N 2.98Å; H52-T54 VanDerWaalsContact C-N 3.29Å; H52-T54 PolarHBondContact O-N 3.31Å; H52-A55 PolarHBondContact O-N 3.35Å; H52-L56 PolarHBondContact O-N 3.12Å; H52-L92 PolarHBondContact CE1-O 3.42Å; H52-L92 PolarHBondContact NE2-O 3.46Å; H52-E93 IonicContact CD2-OE1 3.83Å; H52-E93 IonicContact CE1-OE1 3.33Å; H52-E93 IonicContact NE2-OE1 2.65Å; H52-E93 PolarHBondContact NE2-OE1 3.36Å; H52-E93 IonicContact NE2-OE2 2.79Å; H52-L112 HydrophobicContact CB-CD1 4.23Å; H52-V115 HydrophobicContact CB-CG2 3.73Å
53A98.3Very high97.1Very high0 Ų036.1 Ų36.10%019%0.192CC..Hα-helixtrans-60-41.4175.200000111.6I40 L43 Q44 A48 Q49 L50 S57I40-A53 HydrophobicContact CG1-CB 4.5Å; I40-A53 HydrophobicContact CG2-CB 4.21Å; L43-A53 HydrophobicContact CB-CB 3.75Å; L43-A53 HydrophobicContact CD1-CB 4.17Å; Q44-A53 HydrophobicContact CG-CB 4.18Å; A48-A53 HydrophobicContact CB-CB 4.31Å; Q49-A53 WeakPolarHBondContact O-CB 2.87Å; Q49-A53 PolarHBondContact O-N 2.82Å; L50-A53 PolarHBondContact O-N 3.15Å; A53-S57 VanDerWaalsContact O-CB 3.22Å; A53-S57 WeakPolarHBondContact O-CB 3.49Å; A53-S57 PolarHBondContact O-N 2.99Å
54T98.4Very high96.7Very high39 Ų3938 Ų3824%0.23920%0.202CC..Hα-helixtrans-64.3-49.4176.1-58.50000111.1L50 K51 H52 L56 S57 D58L50-T54 VanDerWaalsContact O-CB 3.31Å; L50-T54 WeakPolarHBondContact O-CB 3.44Å; L50-T54 PolarHBondContact O-N 2.75Å; L50-T54 PolarHBondContact O-OG1 3.28Å; K51-T54 PolarHBondContact O-N 2.96Å; H52-T54 VanDerWaalsContact C-N 3.29Å; H52-T54 PolarHBondContact O-N 3.31Å; T54-L56 VanDerWaalsContact C-N 3.35Å; T54-L56 PolarHBondContact O-N 2.98Å; T54-S57 PolarHBondContact O-N 2.7Å; T54-S57 VanDerWaalsContact O-N 3.17Å; T54-D58 PolarHBondContact O-N 2.76Å
55A98.1Very high96.1Very high12 Ų1242.7 Ų42.710%0.09922%0.217CC..Hα-helixtrans-57.8-45.3179.200000112.3K51 H52 V59 P114 V115K51-A55 WeakPolarHBondContact O-CB 3.47Å; K51-A55 PolarHBondContact O-N 2.78Å; H52-A55 PolarHBondContact O-N 3.35Å; A55-V59 WeakPolarHBondContact O-CG2 3.15Å; A55-V59 PolarHBondContact O-N 3.35Å; A55-P114 HydrophobicContact CB-CB 4.36Å; A55-V115 HydrophobicContact CB-CG2 4.06Å
56L98.2Very high95.7Very high0 Ų039.7 Ų39.70%020%0.201CC..Hα-helixtrans-65.3-46.5175.4173.559000111.5L43 H52 T54 D58 V59 L60 Y79 L112 P114L43-L56 HydrophobicContact CD1-CB 4.06Å; L43-L56 HydrophobicContact CD1-CD2 3.55Å; L43-L56 HydrophobicContact CD1-CG 3.93Å; L43-L56 HydrophobicContact CD2-CD2 3.62Å; L43-L56 HydrophobicContact CG-CD2 4.24Å; H52-L56 PolarHBondContact O-N 3.12Å; T54-L56 VanDerWaalsContact C-N 3.35Å; T54-L56 PolarHBondContact O-N 2.98Å; L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.26Å; L56-V59 PolarHBondContact O-N 2.97Å; L56-L60 HydrophobicContact CD1-CD1 4.04Å; L56-L60 HydrophobicContact CD1-CD2 3.99Å; L56-L60 HydrophobicContact CD1-CG 3.86Å; L56-L60 HydrophobicContact CG-CD1 4.07Å; L56-L60 HydrophobicContact CG-CG 4.28Å; L56-L60 WeakPolarHBondContact O-CG 3.31Å; L56-L60 PolarHBondContact O-N 3.04Å; L56-Y79 HydrophobicContact CD1-CD1 4.18Å; L56-Y79 HydrophobicContact CD1-CD2 3.88Å; L56-Y79 HydrophobicContact CD1-CE1 3.95Å; L56-Y79 HydrophobicContact CD1-CE2 3.66Å; L56-Y79 HydrophobicContact CD1-CG 4.12Å; L56-Y79 HydrophobicContact CD2-CD1 3.94Å; L56-Y79 HydrophobicContact CD2-CD2 3.81Å; L56-Y79 HydrophobicContact CD2-CE2 4.43Å; L56-Y79 HydrophobicContact CD2-CG 3.51Å; L56-Y79 HydrophobicContact CG-CD2 4.41Å; L56-Y79 HydrophobicContact CG-CG 4.48Å; L56-L112 HydrophobicContact CB-CD1 4.07Å; L56-L112 HydrophobicContact CD2-CD1 3.87Å; L56-L112 HydrophobicContact CD2-CD2 4.01Å; L56-P114 HydrophobicContact CB-CG 4.29Å; L56-P114 HydrophobicContact CD1-CG 3.76Å
57S97.9Very high95Very high0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-58.8-39.9-179.4-174.50000113K36 C39 A53 T54 L60 V61K36-S57 VanDerWaalsContact CA-OG 3.27Å; K36-S57 WeakPolarHBondContact CA-OG 3.46Å; K36-S57 WeakPolarHBondContact CG-OG 3.31Å; K36-S57 PolarHBondContact O-OG 3.08Å; C39-S57 WeakPolarHBondContact CB-OG 3.24Å; A53-S57 VanDerWaalsContact O-CB 3.22Å; A53-S57 WeakPolarHBondContact O-CB 3.49Å; A53-S57 PolarHBondContact O-N 2.99Å; T54-S57 PolarHBondContact O-N 2.7Å; T54-S57 VanDerWaalsContact O-N 3.17Å; S57-L60 PolarHBondContact O-N 2.84Å; S57-V61 WeakPolarHBondContact O-CG2 3.32Å; S57-V61 PolarHBondContact O-N 2.97Å
58D97.7Very high94.5Very high45 Ų4540.3 Ų40.324%0.24120%0.195CC..Hα-helixtrans-62.4-43.6178.5-79.6-35.3000111.7K36 T54 L56 A62 W149K36-D58 WeakPolarHBondContact CD-OD1 3.42Å; K36-D58 WeakPolarHBondContact CE-OD1 3.28Å; K36-D58 IonicContact NZ-OD1 3.49Å; K36-D58 PolarHBondContact NZ-OD1 3.15Å; K36-D58 IonicContact NZ-OD2 3.36Å; K36-D58 PolarHBondContact NZ-OD2 2.58Å; T54-D58 PolarHBondContact O-N 2.76Å; L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.26Å; D58-A62 VanDerWaalsContact O-CB 3.24Å; D58-A62 WeakPolarHBondContact O-CB 2.68Å; D58-A62 PolarHBondContact O-N 3.26Å; D58-W149 HydrophobicContact CB-CH2 4Å; D58-W149 HydrophobicContact CB-CZ2 4.09Å
59V97.4Very high93.9Very high0 Ų045.1 Ų45.10%021%0.213CC..Hα-helixtrans-66.4-40177.6177.20000111.9A55 L56 A62 G63 P114 I146 W149A55-V59 WeakPolarHBondContact O-CG2 3.15Å; A55-V59 PolarHBondContact O-N 3.35Å; L56-V59 PolarHBondContact O-N 2.97Å; V59-A62 PolarHBondContact O-N 2.96Å; V59-G63 PolarHBondContact O-N 3.3Å; V59-P114 HydrophobicContact CB-CB 4.44Å; V59-P114 HydrophobicContact CB-CG 4.22Å; V59-P114 HydrophobicContact CG1-CG 4.49Å; V59-P114 HydrophobicContact CG2-CB 3.86Å; V59-P114 HydrophobicContact CG2-CG 4.13Å; V59-I146 HydrophobicContact CG1-CG2 3.8Å; V59-W149 HydrophobicContact CG2-CB 4.49Å; V59-W149 HydrophobicContact CG2-CD2 3.98Å; V59-W149 HydrophobicContact CG2-CG 3.78Å
60L96.1Very high93.3Very high1 Ų142.8 Ų42.81%0.00521%0.205CC..Hα-helixtrans-66.5-44.9178.3-61.1-178.5000111.8L56 S57 A62 G63 D64 G72 R75 L76 Y79L56-L60 HydrophobicContact CD1-CD1 4.04Å; L56-L60 HydrophobicContact CD1-CD2 3.99Å; L56-L60 HydrophobicContact CD1-CG 3.86Å; L56-L60 HydrophobicContact CG-CD1 4.07Å; L56-L60 HydrophobicContact CG-CG 4.28Å; L56-L60 WeakPolarHBondContact O-CG 3.31Å; L56-L60 PolarHBondContact O-N 3.04Å; S57-L60 PolarHBondContact O-N 2.84Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 2.6Å; L60-G63 PolarHBondContact O-N 3.23Å; L60-D64 PolarHBondContact O-N 3Å; L60-D64 VanDerWaalsContact O-N 3.16Å; L60-G72 WeakPolarHBondContact CD2-O 3.38Å; L60-G72 WeakPolarHBondContact O-CA 3.31Å; L60-R75 HydrophobicContact CD2-CB 4.38Å; L60-L76 HydrophobicContact CD1-CB 4.22Å; L60-L76 HydrophobicContact CD1-CD1 4.1Å; L60-Y79 HydrophobicContact CD1-CD2 4.41Å; L60-Y79 HydrophobicContact CD1-CE2 4.39Å; L60-Y79 HydrophobicContact CD2-CD2 4.48Å; L60-Y79 HydrophobicContact CD2-CE2 3.68Å
61V95Very high92.9Very high22 Ų2240.2 Ų40.213%0.13319%0.19CC..Hα-helixtrans-64.3-41.6177172.70000110.5T32 V35 K36 S57 G63 D64 Y65T32-V61 HydrophobicContact CG2-CG1 4.22Å; V35-V61 HydrophobicContact CB-CG2 4.38Å; V35-V61 HydrophobicContact CG1-CG2 3.9Å; K36-V61 HydrophobicContact CB-CG2 4.33Å; S57-V61 WeakPolarHBondContact O-CG2 3.32Å; S57-V61 PolarHBondContact O-N 2.97Å; V61-G63 VanDerWaalsContact C-N 3.3Å; V61-G63 PolarHBondContact O-N 2.86Å; V61-D64 PolarHBondContact O-N 2.74Å; V61-Y65 VanDerWaalsContact O-CB 3.27Å; V61-Y65 WeakPolarHBondContact O-CB 3.46Å; V61-Y65 PolarHBondContact O-N 3.5Å
62A93.2Very high92.6Very high15 Ų1535.2 Ų35.212%0.12417%0.168CC..Hα-helixtrans-60.4-39.9173.900000111.9D58 V59 L60 Y65 R66 W149D58-A62 VanDerWaalsContact O-CB 3.24Å; D58-A62 WeakPolarHBondContact O-CB 2.68Å; D58-A62 PolarHBondContact O-N 3.26Å; V59-A62 PolarHBondContact O-N 2.96Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 2.6Å; A62-Y65 PolarHBondContact O-N 3.46Å; A62-R66 VanDerWaalsContact O-CB 3.27Å; A62-R66 WeakPolarHBondContact O-CB 3.4Å; A62-R66 WeakPolarHBondContact O-CG 3.25Å; A62-R66 PolarHBondContact O-N 2.9Å; A62-W149 HydrophobicContact CB-CE3 3.61Å; A62-W149 HydrophobicContact CB-CZ3 3.73Å
63G91.9Very high92.3Very high0 Ų038 Ų380%018%0.183CC..Hα-helixtrans-55.3-52.3174.900000112.4V59 L60 V61 G67 H68V59-G63 PolarHBondContact O-N 3.3Å; L60-G63 PolarHBondContact O-N 3.23Å; V61-G63 VanDerWaalsContact C-N 3.3Å; V61-G63 PolarHBondContact O-N 2.86Å; G63-G67 PolarHBondContact O-N 3.34Å; G63-H68 CarbonylContact O-C 3.6Å; G63-H68 VanDerWaalsContact O-CA 3.3Å; G63-H68 WeakPolarHBondContact O-CA 3.26Å; G63-H68 WeakPolarHBondContact O-CB 3.34Å; G63-H68 PolarHBondContact O-N 3.42Å
64D90Very high91.8Very high39 Ų3941.4 Ų41.421%0.20920%0.201CC..Hα-helixtrans-68.3-44.5179.3-73.4-26.5000112.5L60 V61 R66 G67 Y69 G72 L73L60-D64 PolarHBondContact O-N 3Å; L60-D64 VanDerWaalsContact O-N 3.16Å; V61-D64 PolarHBondContact O-N 2.74Å; D64-R66 PolarHBondContact O-N 3.42Å; D64-G67 PolarHBondContact O-N 3.48Å; D64-Y69 HydrophobicContact CB-CD1 4.21Å; D64-Y69 HydrophobicContact CB-CE1 4.42Å; D64-Y69 WeakPolarHBondContact O-CE1 3.22Å; D64-Y69 WeakPolarHBondContact OD1-CD1 3.4Å; D64-G72 WeakPolarHBondContact OD1-CA 3.46Å; D64-L73 WeakPolarHBondContact OD2-CB 3.46Å; D64-L73 PolarHBondContact OD2-N 2.89Å
65Y86.2Confident91.6Very high186 Ų18640.3 Ų40.373%0.72919%0.192SC*.Hα-helixtrans-62.9-29.6-178.3-169.7-102.3000112.4T32 V61 A62 G67T32-Y65 HydrophobicContact CG2-CD2 4.31Å; V61-Y65 VanDerWaalsContact O-CB 3.27Å; V61-Y65 WeakPolarHBondContact O-CB 3.46Å; V61-Y65 PolarHBondContact O-N 3.5Å; A62-Y65 PolarHBondContact O-N 3.46Å; Y65-G67 VanDerWaalsContact C-N 3.35Å
66R88.1Confident91.5Very high121 Ų12140.4 Ų40.446%0.45719%0.191SC..THydrogen-bonded Turntrans-89.53.6176.5-62.7-166.957.753.9-0.4113.9A62 D64 H68A62-R66 VanDerWaalsContact O-CB 3.27Å; A62-R66 WeakPolarHBondContact O-CB 3.4Å; A62-R66 WeakPolarHBondContact O-CG 3.25Å; A62-R66 PolarHBondContact O-N 2.9Å; D64-R66 PolarHBondContact O-N 3.42Å; R66-H68 VanDerWaalsContact C-N 3.31Å; R66-H68 PolarHBondContact O-CD2 3.01Å
67G84.4Confident91.4Very high21 Ų2147 Ų4722%0.21622%0.222CC..THydrogen-bonded Turntrans78.612.6179.500000114.5H20 G63 D64 Y65 Y69H20-G67 WeakPolarHBondContact NE2-CA 3.37Å; G63-G67 PolarHBondContact O-N 3.34Å; D64-G67 PolarHBondContact O-N 3.48Å; Y65-G67 VanDerWaalsContact C-N 3.35Å; G67-Y69 VanDerWaalsContact C-N 3.3Å; G67-Y69 PolarHBondContact O-N 3.4Å
68H86.7Confident91.2Very high65 Ų6547.8 Ų47.830%0.30123%0.226SC..  trans-93.753.7174-65.6-93.6000111G63 R66 S70 H71 I146G63-H68 CarbonylContact O-C 3.6Å; G63-H68 VanDerWaalsContact O-CA 3.3Å; G63-H68 WeakPolarHBondContact O-CA 3.26Å; G63-H68 WeakPolarHBondContact O-CB 3.34Å; G63-H68 PolarHBondContact O-N 3.42Å; R66-H68 VanDerWaalsContact C-N 3.31Å; R66-H68 PolarHBondContact O-CD2 3.01Å; H68-S70 PolarHBondContact O-N 3.24Å; H68-H71 PolarHBondContact O-N 3.31Å; H68-I146 HydrophobicContact CB-CD1 4.25Å
69Y83.7Confident91.2Very high106 Ų10645.8 Ų45.842%0.41622%0.215SC..THydrogen-bonded Turntrans-55.6-13.2-175.5-53.6-61.4000115.7H20 D64 G67 H71 N74H20-Y69 PolarHBondContact CD2-OH 3.14Å; H20-Y69 AromaticContact CE1-CE2 3.68Å; H20-Y69 AromaticContact CG-CE2 3.94Å; H20-Y69 AromaticContact CG-CZ 3.95Å; H20-Y69 AromaticContact ND1-CE2 3.52Å; H20-Y69 AromaticContact ND1-CZ 3.99Å; D64-Y69 HydrophobicContact CB-CD1 4.21Å; D64-Y69 HydrophobicContact CB-CE1 4.42Å; D64-Y69 WeakPolarHBondContact O-CE1 3.22Å; D64-Y69 WeakPolarHBondContact OD1-CD1 3.4Å; G67-Y69 VanDerWaalsContact C-N 3.3Å; G67-Y69 PolarHBondContact O-N 3.4Å; Y69-H71 VanDerWaalsContact C-N 3.26Å; Y69-N74 PolarHBondContact O-ND2 3.28Å; Y69-N74 PolarHBondContact O-OD1 2.95Å
70S84.7Confident91.2Very high21 Ų2147 Ų4715%0.14722%0.222CC..THydrogen-bonded Turntrans-74.5-16.3174.5520000113.7H68 N74 R75H68-S70 PolarHBondContact O-N 3.24Å; S70-N74 PolarHBondContact O-ND2 3.31Å; S70-R75 WeakPolarHBondContact O-CG 3.44Å; S70-R75 PolarHBondContact O-NE 3.33Å
71H89.9Confident91.2Very high46 Ų4650.4 Ų50.421%0.21324%0.238CC..SBendtrans-125.112.9-177.1-61.474000112.5H68 Y69 H143H68-H71 PolarHBondContact O-N 3.31Å; Y69-H71 VanDerWaalsContact C-N 3.26Å; H71-H143 AromaticContact CD2-CE1 3.84Å; H71-H143 AromaticContact CD2-NE2 3.76Å
72G90.7Very high91.3Very high0 Ų050 Ų500%024%0.235CC..SBendtrans-98.7-143.1179.500000113L60 D64 N74 R75L60-G72 WeakPolarHBondContact CD2-O 3.38Å; L60-G72 WeakPolarHBondContact O-CA 3.31Å; D64-G72 WeakPolarHBondContact OD1-CA 3.46Å; G72-N74 PolarHBondContact N-OD1 2.92Å; G72-N74 PolarHBondContact O-N 3.22Å; G72-N74 PolarHBondContact O-OD1 3.29Å; G72-R75 PolarHBondContact O-N 3.39Å
73L92.1Very high91.4Very high60 Ų6049.9 Ų49.931%0.31423%0.232SC..G310 helixtrans-56.8-27.7-174.8-175.265.3000113.1V35 F38 C39 D64 R75 L76V35-L73 HydrophobicContact CG1-CD1 4.24Å; V35-L73 HydrophobicContact CG1-CD2 4.12Å; F38-L73 HydrophobicContact CD1-CD1 4.48Å; C39-L73 WeakPolarHBondContact SG-CD1 3.44Å; D64-L73 WeakPolarHBondContact OD2-CB 3.46Å; D64-L73 PolarHBondContact OD2-N 2.89Å; L73-R75 PolarHBondContact O-N 2.9Å; L73-L76 HydrophobicContact CD1-CB 4.16Å; L73-L76 HydrophobicContact CD1-CD2 3.82Å; L73-L76 VanDerWaalsContact O-CB 3.28Å; L73-L76 WeakPolarHBondContact O-CB 3.32Å; L73-L76 PolarHBondContact O-N 3.03Å
74N88.3Confident91.6Very high70 Ų7056.1 Ų56.137%0.37426%0.262SS..G310 helixtrans-56.6-19.1175.277.7-43.9000114.1Y69 S70 G72Y69-N74 PolarHBondContact O-ND2 3.28Å; Y69-N74 PolarHBondContact O-OD1 2.95Å; S70-N74 PolarHBondContact O-ND2 3.31Å; G72-N74 PolarHBondContact N-OD1 2.92Å; G72-N74 PolarHBondContact O-N 3.22Å; G72-N74 PolarHBondContact O-OD1 3.29Å
75R93Very high91.9Very high17 Ų1759.6 Ų59.66%0.06428%0.275CS..G310 helixtrans-94.2-6.8177.1-65-63.9172.2-156.8-10.3113.8L60 S70 G72 L73 E77 M78 Y79 E214L60-R75 HydrophobicContact CD2-CB 4.38Å; S70-R75 WeakPolarHBondContact O-CG 3.44Å; S70-R75 PolarHBondContact O-NE 3.33Å; G72-R75 PolarHBondContact O-N 3.39Å; L73-R75 PolarHBondContact O-N 2.9Å; R75-E77 VanDerWaalsContact C-N 3.31Å; R75-E77 PolarHBondContact O-N 2.8Å; R75-M78 HydrophobicContact CB-CE 4.48Å; R75-M78 WeakPolarHBondContact O-CB 3.46Å; R75-M78 PolarHBondContact O-N 2.84Å; R75-M78 VanDerWaalsContact O-N 3.08Å; R75-Y79 HydrophobicContact CB-CD2 4.36Å; R75-Y79 HydrophobicContact CB-CE2 3.72Å; R75-Y79 WeakPolarHBondContact O-CD2 3.4Å; R75-Y79 PolarHBondContact O-N 3.23Å; R75-E214 IonicContact CZ-OE2 2.72Å; R75-E214 IonicContact NH1-OE2 3.72Å; R75-E214 PolarHBondContact NH1-OE2 2.7Å; R75-E214 IonicContact NH2-OE2 2.72Å; R75-E214 PolarHBondContact NH2-OE2 2.82Å
76L96Very high92.2Very high13 Ų1353.5 Ų53.57%0.06827%0.269CS..Hα-helixtrans-54.2-46.3-175.7179.161.3000112.5F38 C39 C42 L43 L60 L73 M78 Y79 V80F38-L76 HydrophobicContact CD1-CD2 4.14Å; F38-L76 HydrophobicContact CE1-CD2 3.76Å; C39-L76 HydrophobicContact CB-CD1 4.43Å; C42-L76 HydrophobicContact CB-CD2 4.23Å; L43-L76 HydrophobicContact CD1-CD1 4.31Å; L43-L76 HydrophobicContact CD2-CD1 4.23Å; L43-L76 HydrophobicContact CG-CD1 4.09Å; L60-L76 HydrophobicContact CD1-CB 4.22Å; L60-L76 HydrophobicContact CD1-CD1 4.1Å; L73-L76 HydrophobicContact CD1-CB 4.16Å; L73-L76 HydrophobicContact CD1-CD2 3.82Å; L73-L76 VanDerWaalsContact O-CB 3.28Å; L73-L76 WeakPolarHBondContact O-CB 3.32Å; L73-L76 PolarHBondContact O-N 3.03Å; L76-M78 VanDerWaalsContact C-N 3.26Å; L76-M78 PolarHBondContact O-N 2.89Å; L76-Y79 PolarHBondContact O-N 2.86Å; L76-Y79 VanDerWaalsContact O-N 3.13Å; L76-V80 HydrophobicContact CD1-CG2 4.3Å; L76-V80 HydrophobicContact CG-CG2 4.36Å; L76-V80 WeakPolarHBondContact O-CG2 3.19Å; L76-V80 PolarHBondContact O-N 2.95Å
77E95.8Very high92.4Very high138 Ų13848.3 Ų48.365%0.64525%0.251SS*.Hα-helixtrans-56-40.4179.7-176.9-178.3-169.700112.4R75 Y79 V80 Q81R75-E77 VanDerWaalsContact C-N 3.31Å; R75-E77 PolarHBondContact O-N 2.8Å; E77-Y79 PolarHBondContact O-N 3Å; E77-V80 PolarHBondContact O-N 2.75Å; E77-Q81 HydrophobicContact CG-CG 4.43Å; E77-Q81 WeakPolarHBondContact O-CG 3.28Å; E77-Q81 PolarHBondContact O-N 2.58Å; E77-Q81 PolarHBondContact OE1-NE2 2.78Å; E77-Q81 VanDerWaalsContact OE1-NE2 3.14Å
78M94.9Very high92.9Very high17 Ų1747.6 Ų47.68%0.08424%0.242CC..Hα-helixtrans-60.2-45.2178.5179.7-168.775.500111.3R75 L76 Q81 D82 H143 W288 L289R75-M78 HydrophobicContact CB-CE 4.48Å; R75-M78 WeakPolarHBondContact O-CB 3.46Å; R75-M78 PolarHBondContact O-N 2.84Å; R75-M78 VanDerWaalsContact O-N 3.08Å; L76-M78 VanDerWaalsContact C-N 3.26Å; L76-M78 PolarHBondContact O-N 2.89Å; M78-Q81 PolarHBondContact O-N 2.78Å; M78-D82 PolarHBondContact O-N 3.14Å; M78-H143 HydrophobicContact CE-CB 4.33Å; M78-W288 HydrophobicContact CE-CH2 3.99Å; M78-W288 HydrophobicContact SD-CH2 3.53Å; M78-W288 VanDerWaalsContact SD-CH2 3.53Å; M78-W288 HydrophobicContact SD-CZ2 3.61Å; M78-W288 HydrophobicContact SD-CZ3 4.3Å; M78-L289 HydrophobicContact CG-CD2 3.86Å; M78-L289 HydrophobicContact SD-CD2 3.79Å
79Y97.1Very high93.4Very high4 Ų445.8 Ų45.82%0.01624%0.237CC..Hα-helixtrans-67.9-38.3178.7-60.8-74.8000112.3L56 L60 R75 L76 E77 Q81 D82 I83 L112 H143L56-Y79 HydrophobicContact CD1-CD1 4.18Å; L56-Y79 HydrophobicContact CD1-CD2 3.88Å; L56-Y79 HydrophobicContact CD1-CE1 3.95Å; L56-Y79 HydrophobicContact CD1-CE2 3.66Å; L56-Y79 HydrophobicContact CD1-CG 4.12Å; L56-Y79 HydrophobicContact CD2-CD1 3.94Å; L56-Y79 HydrophobicContact CD2-CD2 3.81Å; L56-Y79 HydrophobicContact CD2-CE2 4.43Å; L56-Y79 HydrophobicContact CD2-CG 3.51Å; L56-Y79 HydrophobicContact CG-CD2 4.41Å; L56-Y79 HydrophobicContact CG-CG 4.48Å; L60-Y79 HydrophobicContact CD1-CD2 4.41Å; L60-Y79 HydrophobicContact CD1-CE2 4.39Å; L60-Y79 HydrophobicContact CD2-CD2 4.48Å; L60-Y79 HydrophobicContact CD2-CE2 3.68Å; R75-Y79 HydrophobicContact CB-CD2 4.36Å; R75-Y79 HydrophobicContact CB-CE2 3.72Å; R75-Y79 WeakPolarHBondContact O-CD2 3.4Å; R75-Y79 PolarHBondContact O-N 3.23Å; L76-Y79 PolarHBondContact O-N 2.86Å; L76-Y79 VanDerWaalsContact O-N 3.13Å; E77-Y79 PolarHBondContact O-N 3Å; Y79-Q81 VanDerWaalsContact C-N 3.32Å; Y79-Q81 PolarHBondContact O-N 3.01Å; Y79-D82 PolarHBondContact O-N 3.05Å; Y79-I83 WeakPolarHBondContact O-CG1 3.13Å; Y79-I83 PolarHBondContact O-N 3.04Å; Y79-L112 HydrophobicContact CD1-CD2 3.98Å; Y79-H143 HydrophobicContact CE1-CB 4.46Å; Y79-H143 AromaticContact CZ-ND1 3.72Å; Y79-H143 PolarHBondContact OH-ND1 3.17Å
80V97.9Very high93.8Very high25 Ų2542.2 Ų42.215%0.15223%0.226CC..Hα-helixtrans-59.3-46.1174.7171.40000110.2C42 L43 V46 L76 E77 I83 Q84C42-V80 HydrophobicContact CB-CG2 4.37Å; L43-V80 HydrophobicContact CD2-CG2 4.31Å; V46-V80 HydrophobicContact CG1-CG1 3.77Å; V46-V80 HydrophobicContact CG2-CG1 4.4Å; L76-V80 HydrophobicContact CD1-CG2 4.3Å; L76-V80 HydrophobicContact CG-CG2 4.36Å; L76-V80 WeakPolarHBondContact O-CG2 3.19Å; L76-V80 PolarHBondContact O-N 2.95Å; E77-V80 PolarHBondContact O-N 2.75Å; V80-I83 PolarHBondContact O-N 2.92Å; V80-Q84 WeakPolarHBondContact O-CG 3.18Å; V80-Q84 PolarHBondContact O-N 3.32Å
81Q96.7Very high94.2Very high72 Ų7246.7 Ų46.734%0.33625%0.248SC..Hα-helixtrans-66-40.7177.7-70.8178.89.200112.7E77 M78 Y79 I83 Q84 K85E77-Q81 HydrophobicContact CG-CG 4.43Å; E77-Q81 WeakPolarHBondContact O-CG 3.28Å; E77-Q81 PolarHBondContact O-N 2.58Å; E77-Q81 PolarHBondContact OE1-NE2 2.78Å; E77-Q81 VanDerWaalsContact OE1-NE2 3.14Å; M78-Q81 PolarHBondContact O-N 2.78Å; Y79-Q81 VanDerWaalsContact C-N 3.32Å; Y79-Q81 PolarHBondContact O-N 3.01Å; Q81-I83 VanDerWaalsContact C-N 3.3Å; Q81-I83 PolarHBondContact O-N 3.48Å; Q81-Q84 PolarHBondContact O-N 2.89Å; Q81-K85 WeakPolarHBondContact O-CB 3.23Å; Q81-K85 VanDerWaalsContact O-CG 3.28Å; Q81-K85 WeakPolarHBondContact O-CG 3.46Å; Q81-K85 PolarHBondContact O-N 3.16Å
82D95.6Very high94.5Very high14 Ų1447.8 Ų47.88%0.07526%0.255CS..Hα-helixtrans-60.8-40.7177.7-88.69.3000111.7M78 Y79 G86 V87 C88 R286 T291M78-D82 PolarHBondContact O-N 3.14Å; Y79-D82 PolarHBondContact O-N 3.05Å; D82-G86 PolarHBondContact O-N 3.16Å; D82-V87 HydrophobicContact CB-CG2 3.82Å; D82-V87 WeakPolarHBondContact O-CG2 3.44Å; D82-V87 PolarHBondContact O-N 3.22Å; D82-C88 HydrophobicContact CB-CB 4.29Å; D82-C88 PolarHBondContact O-N 3.49Å; D82-R286 IonicContact OD1-NH2 3.81Å; D82-R286 IonicContact OD2-NH2 3.53Å; D82-R286 PolarHBondContact OD2-NH2 3.36Å; D82-T291 WeakPolarHBondContact OD1-CG2 3.25Å
83I96.6Very high94.8Very high12 Ų1250.8 Ų50.86%0.06227%0.269CS..Hα-helixtrans-67.4-50.3174.6-67.5165.8000110.8L43 V46 A48 Y79 V80 Q81 K85 G86 C88 T90 L112L43-I83 HydrophobicContact CD2-CD1 3.92Å; V46-I83 HydrophobicContact CB-CB 4.46Å; V46-I83 HydrophobicContact CB-CG2 3.93Å; V46-I83 HydrophobicContact CG2-CB 3.91Å; V46-I83 HydrophobicContact CG2-CD1 3.91Å; V46-I83 HydrophobicContact CG2-CG2 3.69Å; V46-I83 WeakPolarHBondContact O-CG2 3.22Å; A48-I83 HydrophobicContact CB-CD1 4.15Å; Y79-I83 WeakPolarHBondContact O-CG1 3.13Å; Y79-I83 PolarHBondContact O-N 3.04Å; V80-I83 PolarHBondContact O-N 2.92Å; Q81-I83 VanDerWaalsContact C-N 3.3Å; Q81-I83 PolarHBondContact O-N 3.48Å; I83-K85 PolarHBondContact O-N 2.9Å; I83-G86 PolarHBondContact O-N 3.01Å; I83-C88 HydrophobicContact CG1-CB 4.23Å; I83-T90 HydrophobicContact CB-CG2 4.33Å; I83-T90 HydrophobicContact CD1-CG2 4.27Å; I83-T90 HydrophobicContact CG1-CG2 3.98Å; I83-T90 HydrophobicContact CG2-CG2 3.47Å; I83-T90 VanDerWaalsContact CG2-CG2 3.47Å; I83-L112 HydrophobicContact CD1-CD1 4.42Å; I83-L112 HydrophobicContact CD1-CD2 4.35Å
84Q96Very high95.1Very high132 Ų13248.2 Ų48.262%0.61726%0.256SS*.Hα-helixtrans-58.2-33.1-178.5-77.1179.8-37.800113V46 V80 Q81 G86V46-Q84 HydrophobicContact CB-CG 3.99Å; V46-Q84 HydrophobicContact CG1-CG 3.57Å; V80-Q84 WeakPolarHBondContact O-CG 3.18Å; V80-Q84 PolarHBondContact O-N 3.32Å; Q81-Q84 PolarHBondContact O-N 2.89Å; Q84-G86 VanDerWaalsContact C-N 3.3Å
85K95.2Very high95.6Very high111 Ų11147.2 Ų47.248%0.48325%0.253SS..THydrogen-bonded Turntrans-86.61179-67.2172.2173.1179.30113.4Q81 I83 V87 T291Q81-K85 WeakPolarHBondContact O-CB 3.23Å; Q81-K85 VanDerWaalsContact O-CG 3.28Å; Q81-K85 WeakPolarHBondContact O-CG 3.46Å; Q81-K85 PolarHBondContact O-N 3.16Å; I83-K85 PolarHBondContact O-N 2.9Å; K85-V87 PolarHBondContact O-N 3.38Å; K85-T291 HydrophobicContact CD-CG2 3.63Å; K85-T291 VanDerWaalsContact CD-OG1 3.23Å; K85-T291 WeakPolarHBondContact CD-OG1 3.34Å; K85-T291 PolarHBondContact NZ-OG1 3.47Å
86G92.9Very high95.8Very high59 Ų5949.1 Ų49.161%0.60826%0.264SS*.THydrogen-bonded Turntrans69.915.1178.500000114.3D82 I83 Q84 C88D82-G86 PolarHBondContact O-N 3.16Å; I83-G86 PolarHBondContact O-N 3.01Å; Q84-G86 VanDerWaalsContact C-N 3.3Å; G86-C88 VanDerWaalsContact C-N 3.28Å
87V92.8Very high95.9Very high12 Ų1252.2 Ų52.27%0.07328%0.283CS..SBendtrans-88.11.4176.2-62.20000112.7D82 K85 N110 T291D82-V87 HydrophobicContact CB-CG2 3.82Å; D82-V87 WeakPolarHBondContact O-CG2 3.44Å; D82-V87 PolarHBondContact O-N 3.22Å; K85-V87 PolarHBondContact O-N 3.38Å; V87-N110 PolarHBondContact O-ND2 3.06Å; V87-N110 PolarHBondContact O-OD1 3.18Å; V87-T291 WeakPolarHBondContact CG1-O 2.94Å; V87-T291 HydrophobicContact CG2-CG2 4.12Å
88C95.2Very high96Very high6 Ų653 Ų534%0.04128%0.284CS..SBendtrans-134.3126170.3-176.20000109.8D82 I83 G86 N110 V111 L112D82-C88 HydrophobicContact CB-CB 4.29Å; D82-C88 PolarHBondContact O-N 3.49Å; I83-C88 HydrophobicContact CG1-CB 4.23Å; G86-C88 VanDerWaalsContact C-N 3.28Å; C88-N110 CarbonylContact C-O 3.6Å; C88-N110 WeakPolarHBondContact CA-O 3.34Å; C88-V111 VanDerWaalsContact SG-C 3.55Å; C88-L112 PolarHBondContact SG-N 3.18Å; C88-L112 VanDerWaalsContact SG-N 3.44Å
89S95.6Very high96.1Very high26 Ų2657.5 Ų57.518%0.18231%0.305CS..  trans-71.2139.1177.7-49.40000110.6K109 N110 V111S89-K109 WeakPolarHBondContact CB-O 3.48Å; S89-K109 PolarHBondContact OG-O 3.16Å; S89-N110 PolarHBondContact N-O 3.43Å; S89-V111 WeakPolarHBondContact O-CA 3.24Å
90T93.8Very high96.1Very high32 Ų3260.8 Ų60.820%0.19633%0.325CS..SBendtrans-116.1-9.5-177.849.80000113.9G47 A48 Q49 I83G47-T90 WeakPolarHBondContact O-CB 3.35Å; A48-T90 HydrophobicContact CB-CG2 4.4Å; Q49-T90 WeakPolarHBondContact CG-O 3.14Å; I83-T90 HydrophobicContact CB-CG2 4.33Å; I83-T90 HydrophobicContact CD1-CG2 4.27Å; I83-T90 HydrophobicContact CG1-CG2 3.98Å; I83-T90 HydrophobicContact CG2-CG2 3.47Å; I83-T90 VanDerWaalsContact CG2-CG2 3.47Å
91D91.4Very high96.1Very high114 Ų11464.8 Ų64.861%0.6135%0.35SS*.SBendtrans-120.9-1.1-169.262.4-27.4000113.9
92L96.8Very high96.1Very high69 Ų6963 Ų6336%0.36135%0.345SS..  trans-103.9166.2179.8-61179000112H52 K109 V111H52-L92 PolarHBondContact CE1-O 3.42Å; H52-L92 PolarHBondContact NE2-O 3.46Å; L92-K109 HydrophobicContact CB-CB 4Å; L92-K109 HydrophobicContact CB-CD 4.32Å; L92-K109 HydrophobicContact CD1-CB 3.94Å; L92-K109 HydrophobicContact CD1-CD 4.48Å; L92-V111 HydrophobicContact CB-CG1 4.04Å; L92-V111 VanDerWaalsContact O-CG1 3.31Å; L92-V111 WeakPolarHBondContact O-CG1 3.42Å
93E98Very high96.1Very high64 Ų6464.7 Ų64.730%0.29936%0.356SS..  trans-126.2144.4175.5-68.6-58129.100112.1Q49 K51 H52 K109Q49-E93 PolarHBondContact OE1-OE1 3.26Å; K51-E93 VanDerWaalsContact CE-CD 3.49Å; K51-E93 WeakPolarHBondContact CE-OE1 3.2Å; K51-E93 IonicContact NZ-OE1 2.6Å; K51-E93 PolarHBondContact NZ-OE1 3.1Å; K51-E93 IonicContact NZ-OE2 2.96Å; K51-E93 PolarHBondContact NZ-OE2 3.3Å; H52-E93 IonicContact CD2-OE1 3.83Å; H52-E93 IonicContact CE1-OE1 3.33Å; H52-E93 IonicContact NE2-OE1 2.65Å; H52-E93 PolarHBondContact NE2-OE1 3.36Å; H52-E93 IonicContact NE2-OE2 2.79Å; E93-K109 WeakPolarHBondContact O-CD 3.32Å
94P98Very high96.1Very high5 Ų564.4 Ų64.43%0.03236%0.355CS..  trans-56.8143.4169.4-2132.4000111.5V106 D107 V111 V115 V116 F119P94-V106 HydrophobicContact CB-CG1 3.91Å; P94-D107 CarbonylContact C-O 3.59Å; P94-D107 WeakPolarHBondContact CA-O 3.27Å; P94-V111 HydrophobicContact CG-CG2 4.01Å; P94-V115 HydrophobicContact CG-CG1 4.01Å; P94-V116 HydrophobicContact CG-CG2 4.24Å; P94-F119 HydrophobicContact CB-CB 4.15Å; P94-F119 HydrophobicContact CB-CD1 3.83Å; P94-F119 HydrophobicContact CB-CD2 4.21Å; P94-F119 HydrophobicContact CB-CE1 4.28Å; P94-F119 HydrophobicContact CB-CG 3.8Å; P94-F119 HydrophobicContact CG-CB 4.21Å; P94-F119 HydrophobicContact CG-CG 4.32Å
95T98.3Very high96.1Very high49 Ų4960.3 Ų60.330%0.30134%0.338SS..EExtended strand (participates in β ladder)trans-138.3144.117850.30000111.7V106 D107 K109T95-V106 CarbonylContact O-C 3.47Å; T95-V106 WeakPolarHBondContact O-CA 3.41Å; T95-D107 PolarHBondContact N-O 3.45Å; T95-D107 PolarHBondContact O-N 3.44Å; T95-K109 VanDerWaalsContact CG2-NZ 3.27Å; T95-K109 WeakPolarHBondContact OG1-CE 3.48Å; T95-K109 PolarHBondContact OG1-NZ 3.32Å
96I98.3Very high96.2Very high58 Ų5855 Ų5530%0.29732%0.315SS..EExtended strand (participates in β ladder)trans-74.4125.7170.7-60.6173.4000108.5E99 A104 L105 V106 F119 T123I96-E99 HydrophobicContact CG2-CB 3.86Å; I96-E99 HydrophobicContact CG2-CG 4.19Å; I96-A104 HydrophobicContact CD1-CB 4.43Å; I96-A104 HydrophobicContact CG2-CB 4.22Å; I96-L105 CarbonylContact C-O 3.54Å; I96-L105 WeakPolarHBondContact CA-O 3.27Å; I96-V106 HydrophobicContact CG1-CG2 4.25Å; I96-F119 HydrophobicContact CG1-CE1 3.93Å; I96-F119 HydrophobicContact CG1-CZ 4.11Å; I96-T123 HydrophobicContact CD1-CG2 3.82Å
97V97.4Very high96.4Very high78 Ų7854.1 Ų54.147%0.47330%0.296SS..EExtended strand (participates in β ladder)trans-106.1-18.1178.6-61.70000113L105 D107 F139V97-L105 HydrophobicContact CG2-CB 4.08Å; V97-L105 HydrophobicContact CG2-CD2 3.73Å; V97-L105 HydrophobicContact CG2-CG 3.58Å; V97-L105 WeakPolarHBondContact CG2-O 3.24Å; V97-L105 PolarHBondContact N-O 2.71Å; V97-D107 HydrophobicContact CG1-CB 3.74Å; V97-F139 HydrophobicContact CG2-CE1 3.83Å; V97-F139 HydrophobicContact CG2-CZ 4.28Å
98K96.7Very high96.6Very high153 Ų15353.5 Ų53.567%0.66529%0.292SS*.EExtended strand (participates in β ladder)trans-155.4139.7174-173.2175.9-1781770109.4A104 L105K98-A104 CarbonylContact O-C 3.6Å; K98-A104 WeakPolarHBondContact O-CA 3.19Å; K98-L105 HydrophobicContact CB-CB 4.03Å; K98-L105 HydrophobicContact CB-CD2 4.4Å; K98-L105 PolarHBondContact O-N 2.95Å
99E97.5Very high96.7Very high112 Ų11256.5 Ų56.552%0.52331%0.305SS..EExtended strand (participates in β ladder)trans-150.6161.8176.963.7179.9138.100113.5I96 T103 A104 K127I96-E99 HydrophobicContact CG2-CB 3.86Å; I96-E99 HydrophobicContact CG2-CG 4.19Å; E99-T103 CarbonylContact C-O 3.52Å; E99-T103 VanDerWaalsContact CA-O 3.27Å; E99-T103 WeakPolarHBondContact CA-O 3.41Å; E99-T103 VanDerWaalsContact CB-O 3.32Å; E99-T103 WeakPolarHBondContact CB-O 3.04Å; E99-A104 HydrophobicContact CB-CB 4.23Å; E99-K127 WeakPolarHBondContact OE2-CE 3.36Å; E99-K127 IonicContact OE2-NZ 2.7Å; E99-K127 PolarHBondContact OE2-NZ 2.79Å
100T97.8Very high96.7Very high73 Ų7356.4 Ų56.445%0.44830%0.302SS..  trans-127.4-174.8163.271.80000108.3S102 T103 K127T100-S102 PolarHBondContact O-N 3.39Å; T100-S102 PolarHBondContact OG1-N 3.01Å; T100-T103 WeakPolarHBondContact CG2-OG1 3.27Å; T100-T103 PolarHBondContact N-O 3.33Å; T100-T103 VanDerWaalsContact O-O 3.14Å; T100-T103 PolarHBondContact OG1-N 2.92Å; T100-T103 PolarHBondContact OG1-OG1 2.91Å; T100-K127 PolarHBondContact O-NZ 3.16Å
101V97.4Very high96.8Very high110 Ų11054.9 Ų54.967%0.66729%0.293SS*.SBendtrans-56.8-37.4176.1-62.90000112.5T131V101-T131 HydrophobicContact CB-CG2 4.1Å; V101-T131 HydrophobicContact CG2-CG2 4.35Å; V101-T131 WeakPolarHBondContact O-CG2 3.38Å
102S96.4Very high97.1Very high34 Ų3449.6 Ų49.624%0.23826%0.264CS..SBendtrans-116.4-0.3-176.257.20000114T100 I133 A134 F135T100-S102 PolarHBondContact O-N 3.39Å; T100-S102 PolarHBondContact OG1-N 3.01Å; S102-I133 VanDerWaalsContact CB-O 3.31Å; S102-I133 WeakPolarHBondContact CB-O 3.44Å; S102-A134 CarbonylContact O-C 3.55Å; S102-A134 WeakPolarHBondContact O-CA 3.38Å; S102-F135 PolarHBondContact O-N 3.17Å
103T96.7Very high97.1Very high49 Ų4946.3 Ų46.330%0.30125%0.247SC..EExtended strand (participates in β ladder)trans-130.8151.8-179.472.70000113.3E99 T100 F135E99-T103 CarbonylContact C-O 3.52Å; E99-T103 VanDerWaalsContact CA-O 3.27Å; E99-T103 WeakPolarHBondContact CA-O 3.41Å; E99-T103 VanDerWaalsContact CB-O 3.32Å; E99-T103 WeakPolarHBondContact CB-O 3.04Å; T100-T103 WeakPolarHBondContact CG2-OG1 3.27Å; T100-T103 PolarHBondContact N-O 3.33Å; T100-T103 VanDerWaalsContact O-O 3.14Å; T100-T103 PolarHBondContact OG1-N 2.92Å; T100-T103 PolarHBondContact OG1-OG1 2.91Å; T103-F135 CarbonylContact C-O 3.52Å; T103-F135 WeakPolarHBondContact CA-O 3.42Å; T103-F135 HydrophobicContact CG2-CB 4.16Å
104A96.8Very high97.1Very high6 Ų643.3 Ų43.35%0.0523%0.233CC..EExtended strand (participates in β ladder)trans-145.5147.1169.300000112.5I96 K98 E99 T123 F135 V136 A137I96-A104 HydrophobicContact CD1-CB 4.43Å; I96-A104 HydrophobicContact CG2-CB 4.22Å; K98-A104 CarbonylContact O-C 3.6Å; K98-A104 WeakPolarHBondContact O-CA 3.19Å; E99-A104 HydrophobicContact CB-CB 4.23Å; A104-T123 HydrophobicContact CB-CG2 3.97Å; A104-F135 PolarHBondContact N-O 3.44Å; A104-V136 HydrophobicContact CB-CG1 4.22Å; A104-V136 HydrophobicContact CB-CG2 4.11Å; A104-V136 WeakPolarHBondContact O-CA 3.33Å; A104-A137 PolarHBondContact O-N 3.28Å
105L96.3Very high97.1Very high47 Ų4743.7 Ų43.725%0.24624%0.235CC..EExtended strand (participates in β ladder)trans-110.2121.7168179.160.2000108.4I96 V97 K98 A137 F139I96-L105 CarbonylContact C-O 3.54Å; I96-L105 WeakPolarHBondContact CA-O 3.27Å; V97-L105 HydrophobicContact CG2-CB 4.08Å; V97-L105 HydrophobicContact CG2-CD2 3.73Å; V97-L105 HydrophobicContact CG2-CG 3.58Å; V97-L105 WeakPolarHBondContact CG2-O 3.24Å; V97-L105 PolarHBondContact N-O 2.71Å; K98-L105 HydrophobicContact CB-CB 4.03Å; K98-L105 HydrophobicContact CB-CD2 4.4Å; K98-L105 PolarHBondContact O-N 2.95Å; L105-A137 CarbonylContact C-O 3.45Å; L105-A137 VanDerWaalsContact CA-O 3.32Å; L105-A137 WeakPolarHBondContact CA-O 3.18Å; L105-A137 HydrophobicContact CD1-CB 4.4Å; L105-F139 HydrophobicContact CD1-CD1 3.86Å; L105-F139 HydrophobicContact CD1-CE1 4.15Å; L105-F139 HydrophobicContact CD2-CE1 4.36Å; L105-F139 HydrophobicContact CG-CD1 4.29Å; L105-F139 HydrophobicContact CG-CE1 4.06Å
106V96.8Very high97.1Very high0 Ų041.4 Ų41.40%022%0.221CC..EExtended strand (participates in β ladder)trans-108.8130.7-177.7177.70000109.6P94 T95 I96 F119 V136 A137 A138 F139P94-V106 HydrophobicContact CB-CG1 3.91Å; T95-V106 CarbonylContact O-C 3.47Å; T95-V106 WeakPolarHBondContact O-CA 3.41Å; I96-V106 HydrophobicContact CG1-CG2 4.25Å; V106-F119 HydrophobicContact CB-CE1 4.48Å; V106-F119 HydrophobicContact CG1-CD1 3.7Å; V106-F119 HydrophobicContact CG1-CE1 3.8Å; V106-F119 HydrophobicContact CG2-CD1 4.01Å; V106-F119 HydrophobicContact CG2-CE1 3.81Å; V106-V136 HydrophobicContact CG2-CG1 3.74Å; V106-A137 PolarHBondContact N-O 3.38Å; V106-A138 HydrophobicContact CB-CB 3.84Å; V106-A138 HydrophobicContact CG1-CB 4.27Å; V106-A138 CarbonylContact O-C 3.5Å; V106-A138 WeakPolarHBondContact O-CA 2.97Å; V106-F139 WeakPolarHBondContact O-CD1 3.29Å; V106-F139 PolarHBondContact O-N 2.86Å
107D97Very high97.1Very high39 Ų3938.6 Ų38.621%0.20921%0.207CC..EExtended strand (participates in β ladder)trans-90.9114.2161.8-176.8-1.5000108.4P94 T95 V97 K109 F139P94-D107 CarbonylContact C-O 3.59Å; P94-D107 WeakPolarHBondContact CA-O 3.27Å; T95-D107 PolarHBondContact N-O 3.45Å; T95-D107 PolarHBondContact O-N 3.44Å; V97-D107 HydrophobicContact CG1-CB 3.74Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 HydrophobicContact CB-CG 4.5Å; D107-K109 PolarHBondContact O-N 3.47Å; D107-K109 PolarHBondContact OD1-N 3Å; D107-F139 HydrophobicContact CB-CE1 3.84Å; D107-F139 HydrophobicContact CB-CE2 3.89Å; D107-F139 HydrophobicContact CB-CZ 3.41Å; D107-F139 VanDerWaalsContact CB-CZ 3.41Å
108G96.5Very high97.1Very high0 Ų036 Ų360%019%0.19CC..  trans-76.5-9.5177.200000113.9N110 V111 F139 G140G108-N110 PolarHBondContact O-N 2.79Å; G108-V111 VanDerWaalsContact O-CG2 3.3Å; G108-V111 WeakPolarHBondContact O-CG2 3.27Å; G108-V111 PolarHBondContact O-N 2.84Å; G108-V111 VanDerWaalsContact O-N 3.11Å; G108-F139 WeakPolarHBondContact CA-O 3.22Å; G108-F139 PolarHBondContact N-O 3.41Å; G108-G140 CarbonylContact C-O 3.53Å; G108-G140 VanDerWaalsContact C-O 3.29Å
109K96.4Very high97.2Very high69 Ų6931.5 Ų31.530%0.317%0.171SC..THydrogen-bonded Turntrans50.733177.9-58.6-169.4-173.6158.30114.4S89 L92 E93 T95 D107 V111S89-K109 WeakPolarHBondContact CB-O 3.48Å; S89-K109 PolarHBondContact OG-O 3.16Å; L92-K109 HydrophobicContact CB-CB 4Å; L92-K109 HydrophobicContact CB-CD 4.32Å; L92-K109 HydrophobicContact CD1-CB 3.94Å; L92-K109 HydrophobicContact CD1-CD 4.48Å; E93-K109 WeakPolarHBondContact O-CD 3.32Å; T95-K109 VanDerWaalsContact CG2-NZ 3.27Å; T95-K109 WeakPolarHBondContact OG1-CE 3.48Å; T95-K109 PolarHBondContact OG1-NZ 3.32Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 HydrophobicContact CB-CG 4.5Å; D107-K109 PolarHBondContact O-N 3.47Å; D107-K109 PolarHBondContact OD1-N 3Å; K109-V111 PolarHBondContact O-N 2.98Å
110N95.9Very high97.2Very high24 Ų2426.2 Ų26.213%0.12815%0.146CC..THydrogen-bonded Turntrans59.525.4178.8-166.449.1000114.6V87 C88 S89 G108 G140 N142V87-N110 PolarHBondContact O-ND2 3.06Å; V87-N110 PolarHBondContact O-OD1 3.18Å; C88-N110 CarbonylContact C-O 3.6Å; C88-N110 WeakPolarHBondContact CA-O 3.34Å; S89-N110 PolarHBondContact N-O 3.43Å; G108-N110 PolarHBondContact O-N 2.79Å; N110-G140 WeakPolarHBondContact CA-O 3.32Å; N110-G140 PolarHBondContact N-O 2.65Å; N110-N142 PolarHBondContact O-ND2 3.01Å; N110-N142 VanDerWaalsContact O-ND2 3.14Å; N110-N142 PolarHBondContact OD1-ND2 2.89Å
111V97.5Very high97.3Very high0 Ų022.7 Ų22.70%013%0.125CC..  trans-75.8179.2174-51.40000111.6C88 S89 L92 P94 G108 K109 G113 V115 V116 N142C88-V111 VanDerWaalsContact SG-C 3.55Å; S89-V111 WeakPolarHBondContact O-CA 3.24Å; L92-V111 HydrophobicContact CB-CG1 4.04Å; L92-V111 VanDerWaalsContact O-CG1 3.31Å; L92-V111 WeakPolarHBondContact O-CG1 3.42Å; P94-V111 HydrophobicContact CG-CG2 4.01Å; G108-V111 VanDerWaalsContact O-CG2 3.3Å; G108-V111 WeakPolarHBondContact O-CG2 3.27Å; G108-V111 PolarHBondContact O-N 2.84Å; G108-V111 VanDerWaalsContact O-N 3.11Å; K109-V111 PolarHBondContact O-N 2.98Å; V111-G113 PolarHBondContact O-N 2.9Å; V111-V115 HydrophobicContact CG2-CB 3.87Å; V111-V115 HydrophobicContact CG2-CG1 3.93Å; V111-V116 HydrophobicContact CG2-CG2 3.49Å; V111-V116 VanDerWaalsContact CG2-CG2 3.49Å; V111-N142 PolarHBondContact O-ND2 3.16Å
112L97.5Very high97.3Very high3 Ų322.6 Ų22.62%0.01612%0.117CC..  trans-57.5134.3176.9-73.4174.5000111.5H52 L56 Y79 I83 C88 P114 V115 V116H52-L112 HydrophobicContact CB-CD1 4.23Å; L56-L112 HydrophobicContact CB-CD1 4.07Å; L56-L112 HydrophobicContact CD2-CD1 3.87Å; L56-L112 HydrophobicContact CD2-CD2 4.01Å; Y79-L112 HydrophobicContact CD1-CD2 3.98Å; I83-L112 HydrophobicContact CD1-CD1 4.42Å; I83-L112 HydrophobicContact CD1-CD2 4.35Å; C88-L112 PolarHBondContact SG-N 3.18Å; C88-L112 VanDerWaalsContact SG-N 3.44Å; L112-P114 VanDerWaalsContact C-N 3.33Å; L112-V115 HydrophobicContact CB-CG2 4.03Å; L112-V115 VanDerWaalsContact O-CB 3.31Å; L112-V115 WeakPolarHBondContact O-CB 3.26Å; L112-V115 PolarHBondContact O-N 3.41Å; L112-V116 PolarHBondContact O-N 3.46Å
113G96.9Very high97.4Very high0 Ų021.9 Ų21.90%011%0.111CC..Hα-helixtrans-51.4-43.2-177.700000114.3V111 V115 V116 G117 N142V111-G113 PolarHBondContact O-N 2.9Å; G113-V115 VanDerWaalsContact C-N 3.26Å; G113-V115 PolarHBondContact O-N 3Å; G113-V116 PolarHBondContact O-N 3.02Å; G113-G117 PolarHBondContact O-N 3.21Å; G113-N142 WeakPolarHBondContact CA-O 3.38Å
114P97.7Very high97.5Very high0 Ų019.6 Ų19.60%010%0.097CC..Hα-helixtrans-58.6-31.4175-32.542.8000115.7A55 L56 V59 L112 N118 Y150A55-P114 HydrophobicContact CB-CB 4.36Å; L56-P114 HydrophobicContact CB-CG 4.29Å; L56-P114 HydrophobicContact CD1-CG 3.76Å; V59-P114 HydrophobicContact CB-CB 4.44Å; V59-P114 HydrophobicContact CB-CG 4.22Å; V59-P114 HydrophobicContact CG1-CG 4.49Å; V59-P114 HydrophobicContact CG2-CB 3.86Å; V59-P114 HydrophobicContact CG2-CG 4.13Å; L112-P114 VanDerWaalsContact C-N 3.33Å; P114-N118 VanDerWaalsContact O-CB 3.27Å; P114-N118 WeakPolarHBondContact O-CB 3.29Å; P114-N118 PolarHBondContact O-N 2.84Å; P114-N118 PolarHBondContact O-OD1 2.81Å; P114-Y150 WeakPolarHBondContact CA-OH 3.31Å
115V98.2Very high97.6Very high14 Ų1420.1 Ų20.19%0.08510%0.099CC..Hα-helixtrans-70.1-47.1176.7-178.20000110H52 A55 P94 V111 L112 G113 F119H52-V115 HydrophobicContact CB-CG2 3.73Å; A55-V115 HydrophobicContact CB-CG2 4.06Å; P94-V115 HydrophobicContact CG-CG1 4.01Å; V111-V115 HydrophobicContact CG2-CB 3.87Å; V111-V115 HydrophobicContact CG2-CG1 3.93Å; L112-V115 HydrophobicContact CB-CG2 4.03Å; L112-V115 VanDerWaalsContact O-CB 3.31Å; L112-V115 WeakPolarHBondContact O-CB 3.26Å; L112-V115 PolarHBondContact O-N 3.41Å; G113-V115 VanDerWaalsContact C-N 3.26Å; G113-V115 PolarHBondContact O-N 3Å; V115-F119 WeakPolarHBondContact O-CB 3.39Å; V115-F119 PolarHBondContact O-N 3.33Å
116V97.8Very high97.7Very high0 Ų024.4 Ų24.40%012%0.116CC..Hα-helixtrans-64.3-43.4177.5-1730000111P94 V111 L112 G113 S120 A138 S141P94-V116 HydrophobicContact CG-CG2 4.24Å; V111-V116 HydrophobicContact CG2-CG2 3.49Å; V111-V116 VanDerWaalsContact CG2-CG2 3.49Å; L112-V116 PolarHBondContact O-N 3.46Å; G113-V116 PolarHBondContact O-N 3.02Å; V116-S120 VanDerWaalsContact O-CB 3.26Å; V116-S120 WeakPolarHBondContact O-CB 3.41Å; V116-S120 PolarHBondContact O-N 3.44Å; V116-S120 PolarHBondContact O-OG 2.72Å; V116-A138 HydrophobicContact CG1-CB 3.67Å; V116-S141 WeakPolarHBondContact CB-OG 3.29Å
117G97.7Very high97.7Very high0 Ų025.2 Ų25.20%012%0.119CC..Hα-helixtrans-64.4-44.8179.700000112.6G113 S120 M121 Y150G113-G117 PolarHBondContact O-N 3.21Å; G117-S120 PolarHBondContact O-N 2.76Å; G117-M121 WeakPolarHBondContact O-CB 3.26Å; G117-M121 PolarHBondContact O-N 3.34Å; G117-Y150 VanDerWaalsContact C-CD1 3.5Å; G117-Y150 VanDerWaalsContact CA-CE1 3.43Å
118N98.3Very high97.7Very high23 Ų2323.4 Ų23.412%0.12311%0.109CC..Hα-helixtrans-62.6-50.4176-72.1-1.7000110.7P114 S120 M121 E122 W149 Y150 M153P114-N118 VanDerWaalsContact O-CB 3.27Å; P114-N118 WeakPolarHBondContact O-CB 3.29Å; P114-N118 PolarHBondContact O-N 2.84Å; P114-N118 PolarHBondContact O-OD1 2.81Å; N118-S120 VanDerWaalsContact C-N 3.28Å; N118-S120 PolarHBondContact O-N 3.26Å; N118-M121 PolarHBondContact O-N 2.92Å; N118-E122 WeakPolarHBondContact O-CB 3.48Å; N118-E122 VanDerWaalsContact O-CG 3.26Å; N118-E122 WeakPolarHBondContact O-CG 3.26Å; N118-E122 PolarHBondContact O-N 2.92Å; N118-W149 PolarHBondContact OD1-NE1 2.99Å; N118-Y150 WeakPolarHBondContact OD1-CE1 3.37Å; N118-M153 HydrophobicContact CB-CE 4.24Å
119F98.5Very high97.7Very high58 Ų5826.9 Ų26.925%0.25413%0.128SC..Hα-helixtrans-56.2-43.6177.6-178.7-86.2000112P94 I96 V106 V115 T123P94-F119 HydrophobicContact CB-CB 4.15Å; P94-F119 HydrophobicContact CB-CD1 3.83Å; P94-F119 HydrophobicContact CB-CD2 4.21Å; P94-F119 HydrophobicContact CB-CE1 4.28Å; P94-F119 HydrophobicContact CB-CG 3.8Å; P94-F119 HydrophobicContact CG-CB 4.21Å; P94-F119 HydrophobicContact CG-CG 4.32Å; I96-F119 HydrophobicContact CG1-CE1 3.93Å; I96-F119 HydrophobicContact CG1-CZ 4.11Å; V106-F119 HydrophobicContact CB-CE1 4.48Å; V106-F119 HydrophobicContact CG1-CD1 3.7Å; V106-F119 HydrophobicContact CG1-CE1 3.8Å; V106-F119 HydrophobicContact CG2-CD1 4.01Å; V106-F119 HydrophobicContact CG2-CE1 3.81Å; V115-F119 WeakPolarHBondContact O-CB 3.39Å; V115-F119 PolarHBondContact O-N 3.33Å; F119-T123 WeakPolarHBondContact O-CB 3.35Å; F119-T123 PolarHBondContact O-N 3.34Å; F119-T123 PolarHBondContact O-OG1 2.92Å
120S98.1Very high97.7Very high1 Ų130 Ų301%0.00714%0.144CC..Hα-helixtrans-67.6-42.3-179.4-59.50000112V116 G117 N118 A124 A138V116-S120 VanDerWaalsContact O-CB 3.26Å; V116-S120 WeakPolarHBondContact O-CB 3.41Å; V116-S120 PolarHBondContact O-N 3.44Å; V116-S120 PolarHBondContact O-OG 2.72Å; G117-S120 PolarHBondContact O-N 2.76Å; N118-S120 VanDerWaalsContact C-N 3.28Å; N118-S120 PolarHBondContact O-N 3.26Å; S120-A124 WeakPolarHBondContact O-CB 3.09Å; S120-A124 PolarHBondContact O-N 3.33Å; S120-A138 WeakPolarHBondContact OG-CB 3.39Å
121M98.3Very high97.7Very high0 Ų031.6 Ų31.60%015%0.154CC..Hα-helixtrans-72.1-41.3179-173.15675.800111.8V2 G117 N118 T123 A124 I125 Y150 M153 A154 A163 I301V2-M121 HydrophobicContact CG2-SD 3.52Å; V2-M121 VanDerWaalsContact CG2-SD 3.52Å; G117-M121 WeakPolarHBondContact O-CB 3.26Å; G117-M121 PolarHBondContact O-N 3.34Å; N118-M121 PolarHBondContact O-N 2.92Å; M121-T123 VanDerWaalsContact C-N 3.3Å; M121-T123 PolarHBondContact O-N 3.24Å; M121-A124 WeakPolarHBondContact O-CB 3.47Å; M121-A124 PolarHBondContact O-N 2.76Å; M121-A124 VanDerWaalsContact O-N 3.12Å; M121-A124 HydrophobicContact SD-CB 4.37Å; M121-I125 HydrophobicContact CG-CD1 4.05Å; M121-I125 HydrophobicContact CG-CG1 4.38Å; M121-I125 WeakPolarHBondContact O-CB 3.39Å; M121-I125 VanDerWaalsContact O-CG1 3.25Å; M121-I125 WeakPolarHBondContact O-CG1 3.49Å; M121-I125 PolarHBondContact O-N 3.17Å; M121-I125 HydrophobicContact SD-CG1 4.42Å; M121-Y150 WeakPolarHBondContact CE-O 3.47Å; M121-Y150 WeakPolarHBondContact CG-O 3.19Å; M121-M153 HydrophobicContact CB-CE 4.17Å; M121-M153 HydrophobicContact CB-SD 4.11Å; M121-M153 HydrophobicContact CG-CB 3.93Å; M121-M153 HydrophobicContact CG-CE 4.35Å; M121-M153 HydrophobicContact CG-SD 4.16Å; M121-A154 HydrophobicContact SD-CB 4.14Å; M121-A163 HydrophobicContact CE-CB 4.21Å; M121-I301 HydrophobicContact CB-CD1 4.19Å; M121-I301 HydrophobicContact CE-CD1 3.53Å; M121-I301 HydrophobicContact CE-CG1 3.74Å; M121-I301 HydrophobicContact SD-CD1 4.06Å
122E98.5Very high97.5Very high108 Ų10832.8 Ų32.851%0.50517%0.167SC..Hα-helixtrans-58.9-42.9172.8-73.8166.7-167.900111.5N118 A124 I125 K126 M153N118-E122 WeakPolarHBondContact O-CB 3.48Å; N118-E122 VanDerWaalsContact O-CG 3.26Å; N118-E122 WeakPolarHBondContact O-CG 3.26Å; N118-E122 PolarHBondContact O-N 2.92Å; E122-A124 VanDerWaalsContact C-N 3.33Å; E122-A124 PolarHBondContact O-N 2.83Å; E122-I125 PolarHBondContact O-N 3.2Å; E122-K126 WeakPolarHBondContact O-CB 3.37Å; E122-K126 PolarHBondContact O-N 2.9Å; E122-M153 HydrophobicContact CG-CE 3.73Å
123T98.3Very high97.4Very high19 Ų1935.5 Ų35.512%0.11718%0.181CC..Hα-helixtrans-60.5-43.3173.8-60.60000111.3I96 A104 F119 M121 K126 K127 V136I96-T123 HydrophobicContact CD1-CG2 3.82Å; A104-T123 HydrophobicContact CB-CG2 3.97Å; F119-T123 WeakPolarHBondContact O-CB 3.35Å; F119-T123 PolarHBondContact O-N 3.34Å; F119-T123 PolarHBondContact O-OG1 2.92Å; M121-T123 VanDerWaalsContact C-N 3.3Å; M121-T123 PolarHBondContact O-N 3.24Å; T123-K126 PolarHBondContact O-N 3.36Å; T123-K127 HydrophobicContact CG2-CD 4.35Å; T123-K127 WeakPolarHBondContact O-CG 3.32Å; T123-K127 PolarHBondContact O-N 3.47Å; T123-K127 VanDerWaalsContact O-N 3.07Å; T123-V136 HydrophobicContact CG2-CG2 4.01Å
124A98.4Very high97.4Very high0 Ų035.6 Ų35.60%018%0.181CC..Hα-helixtrans-65.7-43.917800000111.8V2 S120 M121 E122 K126 K127 A128 A134 V136 I301V2-A124 HydrophobicContact CG2-CB 3.73Å; S120-A124 WeakPolarHBondContact O-CB 3.09Å; S120-A124 PolarHBondContact O-N 3.33Å; M121-A124 WeakPolarHBondContact O-CB 3.47Å; M121-A124 PolarHBondContact O-N 2.76Å; M121-A124 VanDerWaalsContact O-N 3.12Å; M121-A124 HydrophobicContact SD-CB 4.37Å; E122-A124 VanDerWaalsContact C-N 3.33Å; E122-A124 PolarHBondContact O-N 2.83Å; A124-K126 PolarHBondContact O-N 3.38Å; A124-K127 PolarHBondContact O-N 2.82Å; A124-A128 VanDerWaalsContact O-CB 3.22Å; A124-A128 WeakPolarHBondContact O-CB 3.43Å; A124-A128 PolarHBondContact O-N 2.9Å; A124-A134 HydrophobicContact CB-CB 4.31Å; A124-A134 WeakPolarHBondContact O-CB 3.23Å; A124-V136 HydrophobicContact CB-CB 4.25Å; A124-V136 HydrophobicContact CB-CG2 3.63Å; A124-I301 HydrophobicContact CB-CG2 3.5Å; A124-I301 VanDerWaalsContact CB-CG2 3.5Å
125I98.4Very high97.3Very high18 Ų1837.5 Ų37.59%0.09219%0.19CC..Hα-helixtrans-58-50.4176.1-71.5168.4000110.2V2 M121 E122 K127 A128 N129 M153 A154 Q157 L159V2-I125 HydrophobicContact CG1-CG1 4.17Å; V2-I125 HydrophobicContact CG2-CG1 3.78Å; M121-I125 HydrophobicContact CG-CD1 4.05Å; M121-I125 HydrophobicContact CG-CG1 4.38Å; M121-I125 WeakPolarHBondContact O-CB 3.39Å; M121-I125 VanDerWaalsContact O-CG1 3.25Å; M121-I125 WeakPolarHBondContact O-CG1 3.49Å; M121-I125 PolarHBondContact O-N 3.17Å; M121-I125 HydrophobicContact SD-CG1 4.42Å; E122-I125 PolarHBondContact O-N 3.2Å; I125-K127 PolarHBondContact O-N 2.91Å; I125-A128 PolarHBondContact O-N 3.45Å; I125-N129 PolarHBondContact O-N 2.84Å; I125-N129 PolarHBondContact O-ND2 3.01Å; I125-M153 HydrophobicContact CD1-CB 4.06Å; I125-A154 HydrophobicContact CG1-CB 4.31Å; I125-Q157 HydrophobicContact CD1-CG 4.15Å; I125-Q157 HydrophobicContact CG2-CB 4.22Å; I125-Q157 HydrophobicContact CG2-CG 3.79Å; I125-L159 HydrophobicContact CG2-CD1 4.19Å
126K98.1Very high97.2Very high136 Ų13636.9 Ų36.959%0.59119%0.186SC*.Hα-helixtrans-56.7-53.4180-177.2-176.2175.5-173.30111E122 T123 A124 A128 N129 E130E122-K126 WeakPolarHBondContact O-CB 3.37Å; E122-K126 PolarHBondContact O-N 2.9Å; T123-K126 PolarHBondContact O-N 3.36Å; A124-K126 PolarHBondContact O-N 3.38Å; K126-A128 PolarHBondContact O-N 3.09Å; K126-N129 PolarHBondContact O-N 3.35Å; K126-E130 WeakPolarHBondContact CE-OE1 3.32Å; K126-E130 PolarHBondContact O-N 3.41Å
127K98.1Very high97.1Very high18 Ų1837.1 Ų37.18%0.07819%0.188CC..Hα-helixtrans-61.4-44179.7-72.3-178179.1-67.70111.7E99 T100 T123 A124 I125 N129 E130 T131 A134E99-K127 WeakPolarHBondContact OE2-CE 3.36Å; E99-K127 IonicContact OE2-NZ 2.7Å; E99-K127 PolarHBondContact OE2-NZ 2.79Å; T100-K127 PolarHBondContact O-NZ 3.16Å; T123-K127 HydrophobicContact CG2-CD 4.35Å; T123-K127 WeakPolarHBondContact O-CG 3.32Å; T123-K127 PolarHBondContact O-N 3.47Å; T123-K127 VanDerWaalsContact O-N 3.07Å; A124-K127 PolarHBondContact O-N 2.82Å; I125-K127 PolarHBondContact O-N 2.91Å; K127-N129 VanDerWaalsContact C-N 3.31Å; K127-N129 PolarHBondContact O-N 3.17Å; K127-E130 WeakPolarHBondContact O-CB 3.13Å; K127-E130 PolarHBondContact O-N 3.39Å; K127-T131 PolarHBondContact O-N 2.83Å; K127-T131 PolarHBondContact O-OG1 2.65Å; K127-A134 HydrophobicContact CB-CB 3.6Å
128A97.1Very high97Very high0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-65.9-31.3-179.400000113.4V2 A124 I125 K126 E130 G132 A134V2-A128 HydrophobicContact CB-CB 3.57Å; V2-A128 HydrophobicContact CG1-CB 3.71Å; V2-A128 WeakPolarHBondContact O-CB 3.42Å; A124-A128 VanDerWaalsContact O-CB 3.22Å; A124-A128 WeakPolarHBondContact O-CB 3.43Å; A124-A128 PolarHBondContact O-N 2.9Å; I125-A128 PolarHBondContact O-N 3.45Å; K126-A128 PolarHBondContact O-N 3.09Å; A128-E130 PolarHBondContact O-N 2.81Å; A128-G132 CarbonylContact O-C 3.52Å; A128-G132 WeakPolarHBondContact O-CA 3.47Å; A128-G132 PolarHBondContact O-N 2.8Å; A128-A134 HydrophobicContact CB-CB 3.94Å
129N96.2Very high96.9Very high73 Ų7338.1 Ų38.139%0.3919%0.191SC..Hα-helixtrans-65.6-31.2172.5-79.1-33.5000112.3I125 K126 K127 L159I125-N129 PolarHBondContact O-N 2.84Å; I125-N129 PolarHBondContact O-ND2 3.01Å; K126-N129 PolarHBondContact O-N 3.35Å; K127-N129 VanDerWaalsContact C-N 3.31Å; K127-N129 PolarHBondContact O-N 3.17Å; N129-L159 WeakPolarHBondContact OD1-CD1 3.39Å
130E96.2Very high96.6Very high136 Ų13635.8 Ų35.864%0.63618%0.184SC*.Hα-helixtrans-83.4-37.5179.5-65.6170.4-169.800112.5K126 K127 A128K126-E130 WeakPolarHBondContact CE-OE1 3.32Å; K126-E130 PolarHBondContact O-N 3.41Å; K127-E130 WeakPolarHBondContact O-CB 3.13Å; K127-E130 PolarHBondContact O-N 3.39Å; A128-E130 PolarHBondContact O-N 2.81Å
131T96.7Very high96.4Very high56 Ų5635.8 Ų35.834%0.34418%0.183SC..Hα-helixtrans-115.1-8.1-17060.40000114.7V101 K127 I133V101-T131 HydrophobicContact CB-CG2 4.1Å; V101-T131 HydrophobicContact CG2-CG2 4.35Å; V101-T131 WeakPolarHBondContact O-CG2 3.38Å; K127-T131 PolarHBondContact O-N 2.83Å; K127-T131 PolarHBondContact O-OG1 2.65Å; T131-I133 VanDerWaalsContact C-N 3.28Å; T131-I133 PolarHBondContact O-N 3.48Å; T131-I133 PolarHBondContact OG1-N 3.4Å; T131-I133 PolarHBondContact OG1-O 2.68Å
132G92.6Very high96.2Very high26 Ų2636 Ų3627%0.26818%0.184SC..SBendtrans87.4-21.9-172.700000114.6R4 A128R4-G132 PolarHBondContact N-O 3.18Å; R4-G132 VanDerWaalsContact N-O 3.12Å; A128-G132 CarbonylContact O-C 3.52Å; A128-G132 WeakPolarHBondContact O-CA 3.47Å; A128-G132 PolarHBondContact O-N 2.8Å
133I94.5Very high96Very high60 Ų6032.1 Ų32.131%0.30817%0.166SC..EExtended strand (participates in β ladder)trans-150.1142.1-177.5-174.9169.8000111.8V2 L3 S102 T131 D303V2-I133 WeakPolarHBondContact O-CA 3.27Å; L3-I133 HydrophobicContact CD2-CB 4.11Å; L3-I133 HydrophobicContact CD2-CD1 3.77Å; L3-I133 HydrophobicContact CD2-CG1 3.73Å; S102-I133 VanDerWaalsContact CB-O 3.31Å; S102-I133 WeakPolarHBondContact CB-O 3.44Å; T131-I133 VanDerWaalsContact C-N 3.28Å; T131-I133 PolarHBondContact O-N 3.48Å; T131-I133 PolarHBondContact OG1-N 3.4Å; T131-I133 PolarHBondContact OG1-O 2.68Å; I133-D303 HydrophobicContact CD1-CB 3.88Å
134A97.2Very high95.9Very high1 Ų131.4 Ų31.41%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-141.5144.5169.600000115.5M1 V2 S102 A124 K127 A128M1-A134 VanDerWaalsContact CA-O 3.28Å; M1-A134 WeakPolarHBondContact CA-O 3.3Å; M1-A134 VanDerWaalsContact CB-O 3.24Å; M1-A134 WeakPolarHBondContact CB-O 3.39Å; M1-A134 WeakPolarHBondContact CG-O 3.02Å; V2-A134 PolarHBondContact N-O 3.39Å; V2-A134 PolarHBondContact O-N 2.74Å; S102-A134 CarbonylContact O-C 3.55Å; S102-A134 WeakPolarHBondContact O-CA 3.38Å; A124-A134 HydrophobicContact CB-CB 4.31Å; A124-A134 WeakPolarHBondContact O-CB 3.23Å; K127-A134 HydrophobicContact CB-CB 3.6Å; A128-A134 HydrophobicContact CB-CB 3.94Å
135F95.9Very high95.6Very high40 Ų4031.5 Ų31.518%0.17516%0.163CC..EExtended strand (participates in β ladder)trans-117.6120.2171.8-179-81.1000111.6S102 T103 A104 A137 I301 Y302S102-F135 PolarHBondContact O-N 3.17Å; T103-F135 CarbonylContact C-O 3.52Å; T103-F135 WeakPolarHBondContact CA-O 3.42Å; T103-F135 HydrophobicContact CG2-CB 4.16Å; A104-F135 PolarHBondContact N-O 3.44Å; F135-A137 HydrophobicContact CD1-CB 4.33Å; F135-A137 HydrophobicContact CE1-CB 3.54Å; F135-A137 HydrophobicContact CZ-CB 4.24Å; F135-I301 WeakPolarHBondContact CA-O 3.43Å; F135-I301 WeakPolarHBondContact CD2-O 3.4Å; F135-I301 VanDerWaalsContact CG-O 3.24Å; F135-I301 WeakPolarHBondContact CG-O 3.35Å; F135-Y302 AromaticContact CD2-CD2 3.71Å; F135-Y302 HydrophobicContact CD2-CD2 3.71Å; F135-Y302 HydrophobicContact CD2-CG 4.23Å; F135-Y302 AromaticContact CE2-CD2 3.76Å; F135-Y302 HydrophobicContact CE2-CD2 3.76Å; F135-Y302 HydrophobicContact CE2-CG 4.22Å
136V97.2Very high95.4Very high1 Ų130.9 Ų30.91%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-122.7139.2176.1-176.50000110A104 V106 T123 A124 S300 I301A104-V136 HydrophobicContact CB-CG1 4.22Å; A104-V136 HydrophobicContact CB-CG2 4.11Å; A104-V136 WeakPolarHBondContact O-CA 3.33Å; V106-V136 HydrophobicContact CG2-CG1 3.74Å; T123-V136 HydrophobicContact CG2-CG2 4.01Å; A124-V136 HydrophobicContact CB-CB 4.25Å; A124-V136 HydrophobicContact CB-CG2 3.63Å; V136-S300 WeakPolarHBondContact O-CA 3.35Å; V136-I301 HydrophobicContact CB-CG2 4.12Å; V136-I301 PolarHBondContact N-O 3Å; V136-I301 WeakPolarHBondContact O-CB 3.3Å; V136-I301 PolarHBondContact O-N 3Å
137A95.9Very high95.3Very high5 Ų524.5 Ų24.54%0.04113%0.132CC..EExtended strand (participates in β ladder)trans-133.4131-17400000107.7A104 L105 V106 F135 R298A104-A137 PolarHBondContact O-N 3.28Å; L105-A137 CarbonylContact C-O 3.45Å; L105-A137 VanDerWaalsContact CA-O 3.32Å; L105-A137 WeakPolarHBondContact CA-O 3.18Å; L105-A137 HydrophobicContact CD1-CB 4.4Å; V106-A137 PolarHBondContact N-O 3.38Å; F135-A137 HydrophobicContact CD1-CB 4.33Å; F135-A137 HydrophobicContact CE1-CB 3.54Å; F135-A137 HydrophobicContact CZ-CB 4.24Å; A137-R298 VanDerWaalsContact C-NH1 3.33Å; A137-R298 VanDerWaalsContact CA-NH1 3.3Å
138A95.2Very high95.2Very high0 Ų023.7 Ų23.70%013%0.129CC..EExtended strand (participates in β ladder)trans-132.1115.7-171.500000114.6V106 V116 S120 R298 T299V106-A138 HydrophobicContact CB-CB 3.84Å; V106-A138 HydrophobicContact CG1-CB 4.27Å; V106-A138 CarbonylContact O-C 3.5Å; V106-A138 WeakPolarHBondContact O-CA 2.97Å; V116-A138 HydrophobicContact CG1-CB 3.67Å; S120-A138 WeakPolarHBondContact OG-CB 3.39Å; A138-R298 VanDerWaalsContact C-CD 3.48Å; A138-R298 VanDerWaalsContact C-NE 3.27Å; A138-R298 VanDerWaalsContact N-NH1 3.2Å; A138-R298 VanDerWaalsContact O-CA 3.25Å; A138-R298 WeakPolarHBondContact O-CA 3.3Å; A138-R298 WeakPolarHBondContact O-CD 3.14Å; A138-R298 WeakPolarHBondContact O-CG 3.13Å; A138-R298 PolarHBondContact O-NE 3.15Å; A138-T299 PolarHBondContact N-O 3.38Å; A138-T299 PolarHBondContact O-N 3.23Å
139F94.8Very high95.2Very high45 Ų4526.7 Ų26.720%0.19714%0.141CC..EExtended strand (participates in β ladder)trans-97174.1173.967.7-79.9000112V97 L105 V106 D107 G108 S141 A279V97-F139 HydrophobicContact CG2-CE1 3.83Å; V97-F139 HydrophobicContact CG2-CZ 4.28Å; L105-F139 HydrophobicContact CD1-CD1 3.86Å; L105-F139 HydrophobicContact CD1-CE1 4.15Å; L105-F139 HydrophobicContact CD2-CE1 4.36Å; L105-F139 HydrophobicContact CG-CD1 4.29Å; L105-F139 HydrophobicContact CG-CE1 4.06Å; V106-F139 WeakPolarHBondContact O-CD1 3.29Å; V106-F139 PolarHBondContact O-N 2.86Å; D107-F139 HydrophobicContact CB-CE1 3.84Å; D107-F139 HydrophobicContact CB-CE2 3.89Å; D107-F139 HydrophobicContact CB-CZ 3.41Å; D107-F139 VanDerWaalsContact CB-CZ 3.41Å; G108-F139 WeakPolarHBondContact CA-O 3.22Å; G108-F139 PolarHBondContact N-O 3.41Å; F139-S141 PolarHBondContact O-N 2.97Å; F139-A279 HydrophobicContact CB-CB 4.06Å
140G93Very high95.3Very high9 Ų923.2 Ų23.29%0.09312%0.122CC..EExtended strand (participates in β ladder)trans62.734.4-178.200000112.3G108 N110 N296G108-G140 CarbonylContact C-O 3.53Å; G108-G140 VanDerWaalsContact C-O 3.29Å; N110-G140 WeakPolarHBondContact CA-O 3.32Å; N110-G140 PolarHBondContact N-O 2.65Å; G140-N296 WeakPolarHBondContact CA-OD1 3.31Å; G140-N296 PolarHBondContact N-OD1 3.31Å; G140-N296 VanDerWaalsContact N-OD1 3.07Å
141S94.2Very high95.3Very high0 Ų016.8 Ų16.80%09%0.092CC..EExtended strand (participates in β ladder)trans-104173.4177.8-164.40000111.9V116 F139 L297V116-S141 WeakPolarHBondContact CB-OG 3.29Å; F139-S141 PolarHBondContact O-N 2.97Å; S141-L297 WeakPolarHBondContact CA-O 3.46Å; S141-L297 VanDerWaalsContact CB-O 3.26Å; S141-L297 WeakPolarHBondContact CB-O 2.88Å; S141-L297 PolarHBondContact N-O 3.41Å; S141-L297 PolarHBondContact O-N 3.48Å
142N94.5Very high95.2Very high4 Ų415.8 Ų15.82%0.0218%0.084CC..  trans-126.7-178.1176.1-73.9-68000110.5N110 V111 G113 F144N110-N142 PolarHBondContact O-ND2 3.01Å; N110-N142 VanDerWaalsContact O-ND2 3.14Å; N110-N142 PolarHBondContact OD1-ND2 2.89Å; V111-N142 PolarHBondContact O-ND2 3.16Å; G113-N142 WeakPolarHBondContact CA-O 3.38Å; N142-F144 PolarHBondContact O-N 3.23Å
143H94Very high95.5Very high28 Ų2815.5 Ų15.513%0.138%0.076CC..  trans-55.1128.2178.2-178.2-88.4000110.9H71 M78 Y79 G145 W288H71-H143 AromaticContact CD2-CE1 3.84Å; H71-H143 AromaticContact CD2-NE2 3.76Å; M78-H143 HydrophobicContact CE-CB 4.33Å; Y79-H143 HydrophobicContact CE1-CB 4.46Å; Y79-H143 AromaticContact CZ-ND1 3.72Å; Y79-H143 PolarHBondContact OH-ND1 3.17Å; H143-G145 PolarHBondContact CE1-N 3.45Å; H143-G145 PolarHBondContact ND1-N 2.92Å; H143-W288 HydrophobicContact CB-CH2 4.48Å; H143-W288 HydrophobicContact CB-CZ3 4.31Å; H143-W288 AromaticContact CD2-CH2 3.48Å; H143-W288 VanDerWaalsContact CD2-CH2 3.48Å; H143-W288 WeakPolarHBondContact CD2-CH2 3.43Å; H143-W288 AromaticContact CD2-CZ3 3.62Å; H143-W288 AromaticContact CG-CH2 3.94Å; H143-W288 AromaticContact NE2-CH2 3.84Å
144F94.9Very high95.6Very high3 Ų312.7 Ų12.71%0.0136%0.062CC..  trans-108.210.5-167.277.3-7000114.3N142 A147 Y150 T165 P185 T299N142-F144 PolarHBondContact O-N 3.23Å; F144-A147 HydrophobicContact CE1-CB 3.59Å; F144-A147 HydrophobicContact CZ-CB 3.45Å; F144-A147 VanDerWaalsContact CZ-CB 3.45Å; F144-Y150 HydrophobicContact CB-CE2 4.06Å; F144-Y150 WeakPolarHBondContact CB-OH 3.47Å; F144-Y150 HydrophobicContact CD1-CE2 4.1Å; F144-Y150 AromaticContact CD2-CD2 3.91Å; F144-Y150 HydrophobicContact CD2-CD2 3.91Å; F144-Y150 AromaticContact CD2-CE2 3.24Å; F144-Y150 HydrophobicContact CD2-CE2 3.24Å; F144-Y150 AromaticContact CD2-CZ 3.88Å; F144-Y150 HydrophobicContact CE1-CE2 4.31Å; F144-Y150 AromaticContact CE2-CD2 3.74Å; F144-Y150 HydrophobicContact CE2-CD2 3.74Å; F144-Y150 AromaticContact CE2-CE2 3.51Å; F144-Y150 HydrophobicContact CE2-CE2 3.51Å; F144-Y150 AromaticContact CG-CE2 3.55Å; F144-Y150 HydrophobicContact CG-CE2 3.55Å; F144-Y150 HydrophobicContact CZ-CD2 4.26Å; F144-Y150 HydrophobicContact CZ-CE2 4.05Å; F144-Y150 PolarHBondContact O-OH 3.3Å; F144-T165 HydrophobicContact CD1-CG2 3.84Å; F144-T165 HydrophobicContact CD2-CG2 4.44Å; F144-T165 HydrophobicContact CE1-CG2 3.17Å; F144-T165 HydrophobicContact CE2-CG2 3.86Å; F144-T165 HydrophobicContact CG-CG2 4.45Å; F144-T165 HydrophobicContact CZ-CG2 3.18Å; F144-P185 HydrophobicContact CE1-CG 4.48Å; F144-T299 HydrophobicContact CD2-CG2 4.11Å; F144-T299 VanDerWaalsContact CD2-OG1 3.22Å; F144-T299 WeakPolarHBondContact CD2-OG1 3.42Å; F144-T299 HydrophobicContact CE2-CG2 3.79Å
145G94Very high95.4Very high2 Ų213.5 Ų13.52%0.0217%0.066CC..SBendtrans77.5-144.2178.100000113.9H143 A147H143-G145 PolarHBondContact CE1-N 3.45Å; H143-G145 PolarHBondContact ND1-N 2.92Å; G145-A147 PolarHBondContact O-N 2.9Å
146I93.9Very high95.3Very high5 Ų518.6 Ų18.63%0.0269%0.09CC..  trans-69117.5177.1175.4176.7000109.6V59 H68 G148 W149 D202V59-I146 HydrophobicContact CG1-CG2 3.8Å; H68-I146 HydrophobicContact CB-CD1 4.25Å; I146-G148 VanDerWaalsContact C-N 3.28Å; I146-G148 PolarHBondContact O-N 3.35Å; I146-W149 HydrophobicContact CG2-CB 4.21Å; I146-W149 VanDerWaalsContact O-CB 3.29Å; I146-W149 WeakPolarHBondContact O-CB 3.15Å; I146-W149 PolarHBondContact O-N 3.37Å; I146-D202 WeakPolarHBondContact CG1-OD2 3.32Å
147A95.2Very high95.2Very high2 Ų223.9 Ų23.92%0.01712%0.115CC..THydrogen-bonded Turntrans-64.5-33.1-174.800000112.7F144 G145 W149 Y150 P185 T187F144-A147 HydrophobicContact CE1-CB 3.59Å; F144-A147 HydrophobicContact CZ-CB 3.45Å; F144-A147 VanDerWaalsContact CZ-CB 3.45Å; G145-A147 PolarHBondContact O-N 2.9Å; A147-W149 PolarHBondContact O-N 3.15Å; A147-W149 VanDerWaalsContact O-N 3.14Å; A147-Y150 VanDerWaalsContact O-CD2 3.26Å; A147-Y150 WeakPolarHBondContact O-CD2 3.45Å; A147-Y150 PolarHBondContact O-N 3.29Å; A147-P185 HydrophobicContact CB-CB 4.12Å; A147-P185 HydrophobicContact CB-CG 3.94Å; A147-T187 HydrophobicContact CB-CG2 3.29Å
148G95.6Very high94.9Very high2 Ų225.9 Ų25.92%0.02114%0.136CC..Hα-helixtrans-65.4-18.1-177.700000113.4I146 Y150 S151 L152 D202I146-G148 VanDerWaalsContact C-N 3.28Å; I146-G148 PolarHBondContact O-N 3.35Å; G148-Y150 VanDerWaalsContact C-N 3.25Å; G148-Y150 PolarHBondContact O-N 2.88Å; G148-S151 PolarHBondContact O-N 3.17Å; G148-L152 WeakPolarHBondContact O-CB 3.34Å; G148-L152 VanDerWaalsContact O-CG 3.25Å; G148-L152 WeakPolarHBondContact O-CG 3.22Å; G148-L152 PolarHBondContact O-N 2.89Å; G148-D202 VanDerWaalsContact CA-OD2 3.29Å; G148-D202 WeakPolarHBondContact CA-OD2 3.1Å; G148-D202 PolarHBondContact N-OD2 2.96Å
149W97.3Very high94.9Very high63 Ų6326.1 Ų26.124%0.23914%0.137CC..Hα-helixtrans-51.3-45.9172.5174.8-99.1000111.9D58 V59 A62 N118 I146 A147 L152 M153D58-W149 HydrophobicContact CB-CH2 4Å; D58-W149 HydrophobicContact CB-CZ2 4.09Å; V59-W149 HydrophobicContact CG2-CB 4.49Å; V59-W149 HydrophobicContact CG2-CD2 3.98Å; V59-W149 HydrophobicContact CG2-CG 3.78Å; A62-W149 HydrophobicContact CB-CE3 3.61Å; A62-W149 HydrophobicContact CB-CZ3 3.73Å; N118-W149 PolarHBondContact OD1-NE1 2.99Å; I146-W149 HydrophobicContact CG2-CB 4.21Å; I146-W149 VanDerWaalsContact O-CB 3.29Å; I146-W149 WeakPolarHBondContact O-CB 3.15Å; I146-W149 PolarHBondContact O-N 3.37Å; A147-W149 PolarHBondContact O-N 3.15Å; A147-W149 VanDerWaalsContact O-N 3.14Å; W149-L152 WeakPolarHBondContact O-CB 3.46Å; W149-L152 PolarHBondContact O-N 3.17Å; W149-M153 WeakPolarHBondContact O-CG 3.39Å; W149-M153 PolarHBondContact O-N 3.15Å; W149-M153 VanDerWaalsContact O-N 3.15Å
150Y98.2Very high95.1Very high0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-70.7-44.5-176.7-52-66.4000111.8P114 G117 N118 M121 F144 A147 G148 L152 M153 A154 A163P114-Y150 WeakPolarHBondContact CA-OH 3.31Å; G117-Y150 VanDerWaalsContact C-CD1 3.5Å; G117-Y150 VanDerWaalsContact CA-CE1 3.43Å; N118-Y150 WeakPolarHBondContact OD1-CE1 3.37Å; M121-Y150 WeakPolarHBondContact CE-O 3.47Å; M121-Y150 WeakPolarHBondContact CG-O 3.19Å; F144-Y150 HydrophobicContact CB-CE2 4.06Å; F144-Y150 WeakPolarHBondContact CB-OH 3.47Å; F144-Y150 HydrophobicContact CD1-CE2 4.1Å; F144-Y150 AromaticContact CD2-CD2 3.91Å; F144-Y150 HydrophobicContact CD2-CD2 3.91Å; F144-Y150 AromaticContact CD2-CE2 3.24Å; F144-Y150 HydrophobicContact CD2-CE2 3.24Å; F144-Y150 AromaticContact CD2-CZ 3.88Å; F144-Y150 HydrophobicContact CE1-CE2 4.31Å; F144-Y150 AromaticContact CE2-CD2 3.74Å; F144-Y150 HydrophobicContact CE2-CD2 3.74Å; F144-Y150 AromaticContact CE2-CE2 3.51Å; F144-Y150 HydrophobicContact CE2-CE2 3.51Å; F144-Y150 AromaticContact CG-CE2 3.55Å; F144-Y150 HydrophobicContact CG-CE2 3.55Å; F144-Y150 HydrophobicContact CZ-CD2 4.26Å; F144-Y150 HydrophobicContact CZ-CE2 4.05Å; F144-Y150 PolarHBondContact O-OH 3.3Å; A147-Y150 VanDerWaalsContact O-CD2 3.26Å; A147-Y150 WeakPolarHBondContact O-CD2 3.45Å; A147-Y150 PolarHBondContact O-N 3.29Å; G148-Y150 VanDerWaalsContact C-N 3.25Å; G148-Y150 PolarHBondContact O-N 2.88Å; Y150-L152 PolarHBondContact O-N 3.46Å; Y150-M153 HydrophobicContact CD1-SD 4.06Å; Y150-M153 WeakPolarHBondContact O-CB 3.16Å; Y150-M153 PolarHBondContact O-N 3.01Å; Y150-M153 VanDerWaalsContact O-N 3.1Å; Y150-A154 PolarHBondContact O-N 3.44Å; Y150-A163 HydrophobicContact CD2-CB 4.39Å
151S96.8Very high95.2Very high0 Ų024.6 Ų24.60%013%0.129CC..Hα-helixtrans-59.8-35.8174.5-75.60000112G148 M153 A154 L155 G161 L162 A163 T187 A189G148-S151 PolarHBondContact O-N 3.17Å; S151-M153 VanDerWaalsContact C-N 3.34Å; S151-M153 PolarHBondContact O-N 3.3Å; S151-A154 PolarHBondContact O-N 3.23Å; S151-L155 PolarHBondContact O-N 2.91Å; S151-L155 VanDerWaalsContact O-N 3.08Å; S151-G161 WeakPolarHBondContact CB-O 3.3Å; S151-G161 VanDerWaalsContact OG-C 3.28Å; S151-G161 PolarHBondContact OG-O 3.36Å; S151-L162 WeakPolarHBondContact OG-CA 3.34Å; S151-A163 PolarHBondContact OG-N 2.99Å; S151-T187 PolarHBondContact OG-OG1 3.2Å; S151-A189 WeakPolarHBondContact O-CB 3.34Å
152L95.3Very high95.4Very high35 Ų3525.5 Ų25.518%0.18313%0.134CC..Hα-helixtrans-65.8-33.1175.4-72.9169.4000113G148 W149 Y150 A154 L155 Q156 A189 V200G148-L152 WeakPolarHBondContact O-CB 3.34Å; G148-L152 VanDerWaalsContact O-CG 3.25Å; G148-L152 WeakPolarHBondContact O-CG 3.22Å; G148-L152 PolarHBondContact O-N 2.89Å; W149-L152 WeakPolarHBondContact O-CB 3.46Å; W149-L152 PolarHBondContact O-N 3.17Å; Y150-L152 PolarHBondContact O-N 3.46Å; L152-A154 VanDerWaalsContact C-N 3.28Å; L152-A154 PolarHBondContact O-N 3.03Å; L152-L155 HydrophobicContact CD2-CD2 4.17Å; L152-L155 WeakPolarHBondContact O-CB 3.17Å; L152-L155 PolarHBondContact O-N 2.94Å; L152-Q156 WeakPolarHBondContact O-CG 3.22Å; L152-Q156 PolarHBondContact O-N 3Å; L152-A189 HydrophobicContact CD2-CB 4.5Å; L152-V200 HydrophobicContact CD2-CG1 4.22Å; L152-V200 HydrophobicContact CD2-CG2 3.91Å
153M97.3Very high95.6Very high21 Ų2125.3 Ų25.310%0.10313%0.133CC..Hα-helixtrans-59.3-41174-63.5168.265.400111.5N118 M121 E122 I125 W149 Y150 S151N118-M153 HydrophobicContact CB-CE 4.24Å; M121-M153 HydrophobicContact CB-CE 4.17Å; M121-M153 HydrophobicContact CB-SD 4.11Å; M121-M153 HydrophobicContact CG-CB 3.93Å; M121-M153 HydrophobicContact CG-CE 4.35Å; M121-M153 HydrophobicContact CG-SD 4.16Å; E122-M153 HydrophobicContact CG-CE 3.73Å; I125-M153 HydrophobicContact CD1-CB 4.06Å; W149-M153 WeakPolarHBondContact O-CG 3.39Å; W149-M153 PolarHBondContact O-N 3.15Å; W149-M153 VanDerWaalsContact O-N 3.15Å; Y150-M153 HydrophobicContact CD1-SD 4.06Å; Y150-M153 WeakPolarHBondContact O-CB 3.16Å; Y150-M153 PolarHBondContact O-N 3.01Å; Y150-M153 VanDerWaalsContact O-N 3.1Å; S151-M153 VanDerWaalsContact C-N 3.34Å; S151-M153 PolarHBondContact O-N 3.3Å
154A96.4Very high95.7Very high0 Ų024.4 Ų24.40%013%0.129CC..Hα-helixtrans-68.9-41.7175.500000111.9V2 M121 I125 Y150 S151 L152 Q156 Q157 L159 G161V2-A154 HydrophobicContact CB-CB 4.47Å; V2-A154 HydrophobicContact CG1-CB 4.01Å; V2-A154 HydrophobicContact CG2-CB 3.8Å; M121-A154 HydrophobicContact SD-CB 4.14Å; I125-A154 HydrophobicContact CG1-CB 4.31Å; Y150-A154 PolarHBondContact O-N 3.44Å; S151-A154 PolarHBondContact O-N 3.23Å; L152-A154 VanDerWaalsContact C-N 3.28Å; L152-A154 PolarHBondContact O-N 3.03Å; A154-Q156 VanDerWaalsContact C-N 3.28Å; A154-Q156 PolarHBondContact O-N 3.21Å; A154-Q157 WeakPolarHBondContact O-CA 3.4Å; A154-Q157 WeakPolarHBondContact O-CB 3.44Å; A154-Q157 PolarHBondContact O-N 2.98Å; A154-L159 CarbonylContact C-O 3.35Å; A154-L159 HydrophobicContact CB-CB 4.48Å; A154-L159 WeakPolarHBondContact O-CB 3.32Å; A154-L159 PolarHBondContact O-N 3.08Å; A154-L159 VanDerWaalsContact O-N 3.09Å; A154-G161 VanDerWaalsContact CB-CA 3.49Å
155L94.5Very high95.7Very high18 Ų1824.7 Ų24.79%0.09413%0.13CC..Hα-helixtrans-57.5-41.2175.8-177.4119000112.2S151 L152 Q157 G158 L159 A189 A190 H198S151-L155 PolarHBondContact O-N 2.91Å; S151-L155 VanDerWaalsContact O-N 3.08Å; L152-L155 HydrophobicContact CD2-CD2 4.17Å; L152-L155 WeakPolarHBondContact O-CB 3.17Å; L152-L155 PolarHBondContact O-N 2.94Å; L155-Q157 PolarHBondContact O-N 3.29Å; L155-Q157 VanDerWaalsContact O-N 3.13Å; L155-G158 PolarHBondContact O-N 3.37Å; L155-L159 VanDerWaalsContact CA-O 3.31Å; L155-L159 WeakPolarHBondContact CA-O 3.22Å; L155-L159 PolarHBondContact N-O 3.25Å; L155-A189 HydrophobicContact CB-CB 3.88Å; L155-A189 HydrophobicContact CD1-CB 3.84Å; L155-A189 HydrophobicContact CG-CB 4.45Å; L155-A190 VanDerWaalsContact CD1-C 3.42Å; L155-H198 HydrophobicContact CD1-CB 3.73Å; L155-H198 HydrophobicContact CD2-CB 4.25Å
156Q92.9Very high95.8Very high148 Ų14824.6 Ų24.669%0.69213%0.129SC*.THydrogen-bonded Turntrans-60.9-20.6176.3-74.6173.6-14.900113.4L152 A154L152-Q156 WeakPolarHBondContact O-CG 3.22Å; L152-Q156 PolarHBondContact O-N 3Å; A154-Q156 VanDerWaalsContact C-N 3.28Å; A154-Q156 PolarHBondContact O-N 3.21Å
157Q94.5Very high95.7Very high111 Ų11124.7 Ų24.752%0.51913%0.13SC..THydrogen-bonded Turntrans-95.59.3175.6-58.1-62.4-45.200112.6I125 A154 L155 L159I125-Q157 HydrophobicContact CD1-CG 4.15Å; I125-Q157 HydrophobicContact CG2-CB 4.22Å; I125-Q157 HydrophobicContact CG2-CG 3.79Å; A154-Q157 WeakPolarHBondContact O-CA 3.4Å; A154-Q157 WeakPolarHBondContact O-CB 3.44Å; A154-Q157 PolarHBondContact O-N 2.98Å; L155-Q157 PolarHBondContact O-N 3.29Å; L155-Q157 VanDerWaalsContact O-N 3.13Å; Q157-L159 VanDerWaalsContact C-N 3.32Å; Q157-L159 HydrophobicContact CB-CD1 3.72Å; Q157-L159 HydrophobicContact CB-CG 4.22Å
158G91.5Very high95.5Very high48 Ų4824.8 Ų24.850%0.49513%0.131SC..THydrogen-bonded Turntrans73.224.2-177.100000113.5L155L155-G158 PolarHBondContact O-N 3.37Å
159L95.1Very high95.4Very high4 Ų425.7 Ų25.72%0.02114%0.136CC..SBendtrans-116.3154.5-175.1-57.2159.8000110.6V2 L3 R4 I125 N129 A154 L155 Q157V2-L159 HydrophobicContact CG1-CB 3.24Å; V2-L159 HydrophobicContact CG1-CD1 3.14Å; V2-L159 HydrophobicContact CG1-CD2 4.21Å; V2-L159 HydrophobicContact CG1-CG 3.64Å; L3-L159 CarbonylContact O-C 3.54Å; L3-L159 WeakPolarHBondContact O-CA 3.37Å; L3-L159 VanDerWaalsContact O-CB 3.25Å; L3-L159 WeakPolarHBondContact O-CB 3.12Å; L3-L159 VanDerWaalsContact O-CD2 3.25Å; L3-L159 WeakPolarHBondContact O-CD2 3.31Å; R4-L159 HydrophobicContact CB-CD2 4.15Å; R4-L159 HydrophobicContact CG-CD2 4.25Å; I125-L159 HydrophobicContact CG2-CD1 4.19Å; N129-L159 WeakPolarHBondContact OD1-CD1 3.39Å; A154-L159 CarbonylContact C-O 3.35Å; A154-L159 HydrophobicContact CB-CB 4.48Å; A154-L159 WeakPolarHBondContact O-CB 3.32Å; A154-L159 PolarHBondContact O-N 3.08Å; A154-L159 VanDerWaalsContact O-N 3.09Å; L155-L159 VanDerWaalsContact CA-O 3.31Å; L155-L159 WeakPolarHBondContact CA-O 3.22Å; L155-L159 PolarHBondContact N-O 3.25Å; Q157-L159 VanDerWaalsContact C-N 3.32Å; Q157-L159 HydrophobicContact CB-CD1 3.72Å; Q157-L159 HydrophobicContact CB-CG 4.22Å
160I97.1Very high95.4Very high23 Ų2323.8 Ų23.812%0.11813%0.131CC..EExtended strand (participates in β ladder)trans-79.6125.5170.4-60169.6000108.2V2 L3 Y5 L162 L188 A189 A190V2-I160 CarbonylContact C-O 3.55Å; V2-I160 WeakPolarHBondContact CA-O 3.18Å; L3-I160 HydrophobicContact CB-CB 4.1Å; L3-I160 HydrophobicContact CD1-CB 3.97Å; L3-I160 HydrophobicContact CD1-CD1 4.19Å; L3-I160 HydrophobicContact CD1-CG2 4.07Å; L3-I160 PolarHBondContact N-O 3.38Å; L3-I160 PolarHBondContact O-N 3.46Å; Y5-I160 HydrophobicContact CD1-CD1 4.36Å; Y5-I160 HydrophobicContact CD2-CD1 4.14Å; Y5-I160 HydrophobicContact CG-CD1 3.75Å; I160-L162 HydrophobicContact CG2-CD1 3.83Å; I160-L188 HydrophobicContact CG2-CG 4.44Å; I160-A189 CarbonylContact C-O 3.42Å; I160-A189 VanDerWaalsContact CA-O 3.3Å; I160-A189 WeakPolarHBondContact CA-O 3.45Å; I160-A190 HydrophobicContact CG1-CB 4.07Å; I160-A190 HydrophobicContact CG2-CB 4.37Å
161G97Very high95.4Very high0 Ų024 Ų240%013%0.132CC..EExtended strand (participates in β ladder)trans-111.2126.1-176.100000113.2M1 S151 A154 L188 A189M1-G161 CarbonylContact O-C 3.51Å; M1-G161 VanDerWaalsContact O-CA 3.23Å; M1-G161 WeakPolarHBondContact O-CA 3.2Å; S151-G161 WeakPolarHBondContact CB-O 3.3Å; S151-G161 VanDerWaalsContact OG-C 3.28Å; S151-G161 PolarHBondContact OG-O 3.36Å; A154-G161 VanDerWaalsContact CB-CA 3.49Å; G161-L188 CarbonylContact O-C 3.58Å; G161-L188 VanDerWaalsContact O-CA 3.23Å; G161-L188 WeakPolarHBondContact O-CA 3.29Å; G161-A189 PolarHBondContact N-O 3.45Å; G161-A189 PolarHBondContact O-N 2.79Å
162L98.2Very high95.4Very high19 Ų1924.5 Ų24.510%0.09913%0.134CC..EExtended strand (participates in β ladder)trans-117.7139.9167.4-8069.2000112M1 S151 I160 F164 T187 L188 I301M1-L162 HydrophobicContact CE-CB 3.85Å; M1-L162 HydrophobicContact CE-CD1 3Å; M1-L162 HydrophobicContact CE-CD2 3.65Å; M1-L162 HydrophobicContact CE-CG 3.6Å; M1-L162 PolarHBondContact N-O 3.39Å; M1-L162 PolarHBondContact O-N 3.14Å; M1-L162 HydrophobicContact SD-CB 4.48Å; M1-L162 HydrophobicContact SD-CD1 3.92Å; S151-L162 WeakPolarHBondContact OG-CA 3.34Å; I160-L162 HydrophobicContact CG2-CD1 3.83Å; L162-F164 HydrophobicContact CB-CE2 3.98Å; L162-F164 HydrophobicContact CB-CZ 4.23Å; L162-F164 HydrophobicContact CD2-CE2 4.28Å; L162-F164 HydrophobicContact CD2-CZ 3.8Å; L162-T187 VanDerWaalsContact CA-O 3.28Å; L162-T187 WeakPolarHBondContact CA-O 3.41Å; L162-T187 WeakPolarHBondContact CG-O 3.44Å; L162-L188 HydrophobicContact CD1-CB 4.21Å; L162-L188 HydrophobicContact CD1-CD1 3.59Å; L162-L188 HydrophobicContact CD1-CG 3.74Å; L162-L188 HydrophobicContact CD2-CD1 4.27Å; L162-L188 HydrophobicContact CG-CB 4.17Å; L162-L188 HydrophobicContact CG-CD1 4.09Å; L162-L188 HydrophobicContact CG-CG 4.24Å; L162-I301 WeakPolarHBondContact O-CG1 3.46Å
163A97.5Very high95.4Very high0 Ų023.6 Ų23.60%013%0.131CC..EExtended strand (participates in β ladder)trans-139.8143171.200000111.5M121 Y150 S151 T187M121-A163 HydrophobicContact CE-CB 4.21Å; Y150-A163 HydrophobicContact CD2-CB 4.39Å; S151-A163 PolarHBondContact OG-N 2.99Å; A163-T187 WeakPolarHBondContact CA-OG1 3.27Å; A163-T187 WeakPolarHBondContact CB-OG1 3.16Å; A163-T187 PolarHBondContact N-O 2.89Å; A163-T187 PolarHBondContact N-OG1 3.41Å; A163-T187 VanDerWaalsContact N-OG1 3.15Å; A163-T187 PolarHBondContact O-N 3.18Å; A163-T187 PolarHBondContact O-OG1 3.4Å
164F96.9Very high95.4Very high9 Ų924 Ų244%0.03913%0.134CC..EExtended strand (participates in β ladder)trans-133.6146-177.6-52.1-83.2000108.9L162 I186 L268 V269 L272 T299 S300L162-F164 HydrophobicContact CB-CE2 3.98Å; L162-F164 HydrophobicContact CB-CZ 4.23Å; L162-F164 HydrophobicContact CD2-CE2 4.28Å; L162-F164 HydrophobicContact CD2-CZ 3.8Å; F164-I186 HydrophobicContact CD1-CB 4.19Å; F164-I186 HydrophobicContact CD1-CG1 3.83Å; F164-I186 HydrophobicContact CD1-CG2 4.07Å; F164-I186 HydrophobicContact CE1-CB 4.14Å; F164-I186 HydrophobicContact CE1-CG1 3.93Å; F164-I186 HydrophobicContact CE1-CG2 3.55Å; F164-I186 HydrophobicContact CZ-CG2 4.49Å; F164-L268 HydrophobicContact CE1-CD2 4.27Å; F164-V269 HydrophobicContact CB-CG1 4.33Å; F164-V269 HydrophobicContact CD1-CG2 3.99Å; F164-L272 HydrophobicContact CD2-CD1 4.22Å; F164-L272 HydrophobicContact CE2-CD1 4.2Å; F164-L272 HydrophobicContact CG-CD1 4.46Å; F164-L272 HydrophobicContact CZ-CD1 4.33Å; F164-T299 CarbonylContact O-C 3.57Å; F164-T299 WeakPolarHBondContact O-CA 3.42Å; F164-T299 VanDerWaalsContact O-CG2 3.29Å; F164-T299 WeakPolarHBondContact O-CG2 3.23Å; F164-S300 VanDerWaalsContact CD2-O 3.23Å; F164-S300 WeakPolarHBondContact CD2-O 3.25Å; F164-S300 PolarHBondContact N-O 3.04Å; F164-S300 PolarHBondContact O-N 2.7Å
165T95.6Very high95.3Very high8 Ų834 Ų345%0.04917%0.172CC..EExtended strand (participates in β ladder)trans-142.8146.4164.5-167.20000110.6F144 N184 P185 V269 R298F144-T165 HydrophobicContact CD1-CG2 3.84Å; F144-T165 HydrophobicContact CD2-CG2 4.44Å; F144-T165 HydrophobicContact CE1-CG2 3.17Å; F144-T165 HydrophobicContact CE2-CG2 3.86Å; F144-T165 HydrophobicContact CG-CG2 4.45Å; F144-T165 HydrophobicContact CZ-CG2 3.18Å; T165-N184 VanDerWaalsContact O-CA 3.31Å; T165-N184 WeakPolarHBondContact O-CA 2.98Å; T165-P185 HydrophobicContact CG2-CG 3.72Å; T165-P185 WeakPolarHBondContact O-CD 3.35Å; T165-V269 WeakPolarHBondContact O-CG1 2.95Å; T165-R298 WeakPolarHBondContact CA-O 3.37Å; T165-R298 PolarHBondContact OG1-O 2.85Å
166N94Very high95.3Very high0 Ų034.9 Ų34.90%018%0.181CC..  trans-87.1165.1161.269.7-7.9000110.9N184 E270 C273 A280 I285 R298N166-N184 WeakPolarHBondContact CA-OD1 2.8Å; N166-E270 PolarHBondContact ND2-OE2 3.42Å; N166-C273 HydrophobicContact CB-CB 3.99Å; N166-A280 PolarHBondContact ND2-O 2.97Å; N166-I285 HydrophobicContact CB-CD1 4.48Å; N166-R298 PolarHBondContact N-O 3.24Å; N166-R298 PolarHBondContact OD1-N 2.87Å; N166-R298 PolarHBondContact OD1-O 3.28Å
167T92.9Very high95.3Very high8 Ų835.8 Ų35.85%0.04918%0.179CC..  trans-148.4176177-1710000110.1T183 N184 I285T167-T183 VanDerWaalsContact CG2-N 3.34Å; T167-N184 PolarHBondContact N-OD1 3.27Å; T167-I285 WeakPolarHBondContact O-CD1 2.89Å
168S91.6Very high95.3Very high3 Ų339.6 Ų39.62%0.02119%0.188CC..SBendtrans-44.9145.1174.1-60.20000112.2L170 G182 R286 W288S168-L170 WeakPolarHBondContact O-CG 3.33Å; S168-L170 PolarHBondContact O-N 3.2Å; S168-G182 VanDerWaalsContact O-CA 3.27Å; S168-G182 WeakPolarHBondContact O-CA 2.89Å; S168-R286 WeakPolarHBondContact CB-O 3.25Å; S168-R286 PolarHBondContact OG-O 3.46Å; S168-W288 PolarHBondContact OG-N 3.35Å
169P93.4Very high95.5Very high22 Ų2239.8 Ų39.814%0.14318%0.178CC..SBendtrans-63.9114-179.927.7-36000109.8L179P169-L179 HydrophobicContact CB-CB 4.23Å
170L96.1Very high95.4Very high23 Ų2341 Ų4112%0.1219%0.188CC..  trans-131.6-11.1-174.9-72.2171.4000112.4S168 V181 T183 L210 L248 W288S168-L170 WeakPolarHBondContact O-CG 3.33Å; S168-L170 PolarHBondContact O-N 3.2Å; L170-V181 PolarHBondContact N-O 3.05Å; L170-T183 HydrophobicContact CB-CG2 4.44Å; L170-T183 HydrophobicContact CD1-CG2 4.24Å; L170-L210 HydrophobicContact CD1-CD2 3.93Å; L170-L210 HydrophobicContact CD2-CD2 3.94Å; L170-L248 HydrophobicContact CB-CD1 4.31Å; L170-L248 WeakPolarHBondContact O-CB 3.14Å; L170-L248 PolarHBondContact O-N 2.84Å; L170-W288 HydrophobicContact CD2-CB 4.07Å
171V97.9Very high95.3Very high5 Ų540.1 Ų40.13%0.0318%0.184CC..BIsolated β-bridgetrans-119.4136.6-173.3-1740000109.8A180 V181 G182 T183 L248 P250V171-A180 PolarHBondContact O-N 3.47Å; V171-A180 VanDerWaalsContact O-N 3.14Å; V171-V181 WeakPolarHBondContact CA-O 3.44Å; V171-V181 HydrophobicContact CB-CB 4.37Å; V171-V181 WeakPolarHBondContact CB-O 3.3Å; V171-V181 PolarHBondContact N-O 2.9Å; V171-V181 PolarHBondContact O-N 3.48Å; V171-G182 VanDerWaalsContact CG2-O 3.29Å; V171-G182 WeakPolarHBondContact CG2-O 3.48Å; V171-T183 HydrophobicContact CG2-CG2 4.45Å; V171-L248 WeakPolarHBondContact CA-O 3.07Å; V171-L248 HydrophobicContact CG2-CB 4.02Å; V171-L248 HydrophobicContact CG2-CD1 4.42Å; V171-P250 HydrophobicContact CG1-CB 4.19Å
172F97.1Very high95.2Very high9 Ų940.1 Ų40.14%0.03918%0.184CC..PPolyproline II helixtrans-76.3126.2168.8-66.2-76.1000110.1R177 L179 A229 D230 L248F172-R177 VanDerWaalsContact CE1-C 3.42Å; F172-R177 WeakPolarHBondContact CE1-O 3.49Å; F172-L179 HydrophobicContact CD1-CD2 3.72Å; F172-L179 HydrophobicContact CD1-CG 4.47Å; F172-L179 HydrophobicContact CD2-CD2 3.69Å; F172-L179 HydrophobicContact CE1-CD2 3.59Å; F172-L179 HydrophobicContact CE1-CG 4.09Å; F172-L179 HydrophobicContact CE2-CD2 3.59Å; F172-L179 HydrophobicContact CG-CD2 3.76Å; F172-L179 HydrophobicContact CZ-CD2 3.53Å; F172-L179 HydrophobicContact CZ-CG 4.22Å; F172-A229 HydrophobicContact CD2-CB 3.88Å; F172-A229 HydrophobicContact CE2-CB 3.72Å; F172-D230 VanDerWaalsContact CZ-O 3.23Å; F172-D230 WeakPolarHBondContact CZ-O 3.08Å; F172-L248 PolarHBondContact N-O 2.92Å
173P96.7Very high95.1Very high17 Ų1740.1 Ų40.111%0.1119%0.185CC..PPolyproline II helixtrans-52147.1159.3-25.134.6000110.8R175 A176 R178 A180 V181 Y263P173-R175 PolarHBondContact O-N 3.05Å; P173-A176 HydrophobicContact CB-CB 3.81Å; P173-A176 HydrophobicContact CG-CB 4.12Å; P173-A176 VanDerWaalsContact O-CB 3.28Å; P173-A176 WeakPolarHBondContact O-CB 3.13Å; P173-A176 PolarHBondContact O-N 2.96Å; P173-R178 VanDerWaalsContact CD-O 3.3Å; P173-R178 WeakPolarHBondContact CD-O 3.13Å; P173-A180 HydrophobicContact CG-CB 3.73Å; P173-V181 HydrophobicContact CG-CG2 4.32Å; P173-Y263 HydrophobicContact CB-CD2 4.03Å; P173-Y263 HydrophobicContact CB-CE1 4.19Å; P173-Y263 HydrophobicContact CB-CE2 3.61Å; P173-Y263 HydrophobicContact CB-CG 4.48Å; P173-Y263 HydrophobicContact CG-CE2 4Å
174T96Very high95Very high29 Ų2940.1 Ų40.118%0.17819%0.185CC..THydrogen-bonded Turntrans-56.4131.7177.2-550000110.4A176 E255 G259 Y260T174-A176 VanDerWaalsContact C-N 3.25Å; T174-A176 PolarHBondContact O-N 3.02Å; T174-E255 HydrophobicContact CG2-CB 4.02Å; T174-E255 HydrophobicContact CG2-CG 3.98Å; T174-G259 PolarHBondContact OG1-O 2.99Å; T174-Y260 VanDerWaalsContact OG1-CA 3.27Å; T174-Y260 WeakPolarHBondContact OG1-CA 3.4Å; T174-Y260 PolarHBondContact OG1-N 3.35Å
175R94.5Very high95Very high211 Ų21140.5 Ų40.580%0.79619%0.188SC*.THydrogen-bonded Turntrans6710.8-173.6-53.6168.8-178.7157-7.5115.9P173 E255P173-R175 PolarHBondContact O-N 3.05Å; R175-E255 WeakPolarHBondContact CG-OE2 3.33Å; R175-E255 IonicContact CZ-OE1 3.54Å; R175-E255 IonicContact CZ-OE2 3.4Å; R175-E255 IonicContact NE-OE1 2.92Å; R175-E255 PolarHBondContact NE-OE1 3.17Å; R175-E255 IonicContact NE-OE2 3.61Å; R175-E255 PolarHBondContact NE-OE2 2.82Å; R175-E255 VanDerWaalsContact NH2-CD 3.3Å; R175-E255 IonicContact NH2-OE1 3.58Å; R175-E255 PolarHBondContact NH2-OE1 2.79Å; R175-E255 IonicContact NH2-OE2 2.9Å; R175-E255 PolarHBondContact NH2-OE2 2.79Å
176A95.4Very high95Very high35 Ų3541 Ų4129%0.28919%0.19SC..  trans-100.1157.817600000112.5P173 T174P173-A176 HydrophobicContact CB-CB 3.81Å; P173-A176 HydrophobicContact CG-CB 4.12Å; P173-A176 VanDerWaalsContact O-CB 3.28Å; P173-A176 WeakPolarHBondContact O-CB 3.13Å; P173-A176 PolarHBondContact O-N 2.96Å; T174-A176 VanDerWaalsContact C-N 3.25Å; T174-A176 PolarHBondContact O-N 3.02Å
177R93.2Very high95.2Very high168 Ų16841 Ų4163%0.63419%0.19SC*.SBendtrans-111.17.6172.569.1175.5179.6-162.2-1.6113.8F172 D232F172-R177 VanDerWaalsContact CE1-C 3.42Å; F172-R177 WeakPolarHBondContact CE1-O 3.49Å; R177-D232 WeakPolarHBondContact CB-O 3.27Å
178R94.1Very high95.4Very high191 Ų19142.9 Ų42.972%0.72120%0.2SC*.SBendtrans-124.1133.1179.1-70.2-173176.8174.8-0.3109.2P173 A180P173-R178 VanDerWaalsContact CD-O 3.3Å; P173-R178 WeakPolarHBondContact CD-O 3.13Å; R178-A180 PolarHBondContact O-N 2.98Å
179L94.7Very high95.6Very high52 Ų5242.7 Ų42.727%0.27220%0.199SC..  trans-64132.5171.8-54.7178.4000109.3P169 F172P169-L179 HydrophobicContact CB-CB 4.23Å; F172-L179 HydrophobicContact CD1-CD2 3.72Å; F172-L179 HydrophobicContact CD1-CG 4.47Å; F172-L179 HydrophobicContact CD2-CD2 3.69Å; F172-L179 HydrophobicContact CE1-CD2 3.59Å; F172-L179 HydrophobicContact CE1-CG 4.09Å; F172-L179 HydrophobicContact CE2-CD2 3.59Å; F172-L179 HydrophobicContact CG-CD2 3.76Å; F172-L179 HydrophobicContact CZ-CD2 3.53Å; F172-L179 HydrophobicContact CZ-CG 4.22Å
180A93.7Very high95.7Very high29 Ų2942.7 Ų42.724%0.2420%0.2CC..  trans-146.5-11.1-177.700000114V171 P173 R178 G282V171-A180 PolarHBondContact O-N 3.47Å; V171-A180 VanDerWaalsContact O-N 3.14Å; P173-A180 HydrophobicContact CG-CB 3.73Å; R178-A180 PolarHBondContact O-N 2.98Å; A180-G282 CarbonylContact O-C 3.55Å; A180-G282 WeakPolarHBondContact O-CA 3.27Å
181V94.1Very high95.4Very high4 Ų443.2 Ų43.22%0.02421%0.205CC..BIsolated β-bridgetrans-127.4143.3-178.1-171.80000108.5L170 V171 P173 N184 Y263 M267 E270L170-V181 PolarHBondContact N-O 3.05Å; V171-V181 WeakPolarHBondContact CA-O 3.44Å; V171-V181 HydrophobicContact CB-CB 4.37Å; V171-V181 WeakPolarHBondContact CB-O 3.3Å; V171-V181 PolarHBondContact N-O 2.9Å; V171-V181 PolarHBondContact O-N 3.48Å; P173-V181 HydrophobicContact CG-CG2 4.32Å; V181-N184 WeakPolarHBondContact CG1-ND2 3.27Å; V181-Y263 HydrophobicContact CG2-CD2 4.15Å; V181-Y263 HydrophobicContact CG2-CE2 3.86Å; V181-M267 HydrophobicContact CG2-SD 3.88Å; V181-E270 HydrophobicContact CG1-CG 4.13Å
182G95Very high95Very high0 Ų043.9 Ų43.90%021%0.213CC..  trans-74.9178.917100000112.9S168 V171 N184S168-G182 VanDerWaalsContact O-CA 3.27Å; S168-G182 WeakPolarHBondContact O-CA 2.89Å; V171-G182 VanDerWaalsContact CG2-O 3.29Å; V171-G182 WeakPolarHBondContact CG2-O 3.48Å; G182-N184 VanDerWaalsContact C-OD1 3.23Å; G182-N184 WeakPolarHBondContact CA-OD1 3.26Å; G182-N184 PolarHBondContact N-OD1 3.22Å; G182-N184 PolarHBondContact O-N 3.18Å
183T95.9Very high94.2Very high20 Ų2049.5 Ų49.512%0.12324%0.237CC..  trans-67.3-16.1170.154.40000112.7T167 L170 V171 A204 T205 L248T167-T183 VanDerWaalsContact CG2-N 3.34Å; L170-T183 HydrophobicContact CB-CG2 4.44Å; L170-T183 HydrophobicContact CD1-CG2 4.24Å; V171-T183 HydrophobicContact CG2-CG2 4.45Å; T183-A204 CarbonylContact O-C 3.52Å; T183-A204 WeakPolarHBondContact O-CA 3.1Å; T183-T205 PolarHBondContact O-N 3.04Å; T183-T205 PolarHBondContact O-OG1 3.07Å; T183-T205 VanDerWaalsContact O-OG1 3.09Å; T183-L248 HydrophobicContact CG2-CD1 3.4Å
184N95.9Very high93.7Very high0 Ų052.9 Ų52.90%026%0.257CS..  trans39.268.1160.1-72.215.4000114.1T165 N166 T167 V181 G182 T205 G266 V269 E270T165-N184 VanDerWaalsContact O-CA 3.31Å; T165-N184 WeakPolarHBondContact O-CA 2.98Å; N166-N184 WeakPolarHBondContact CA-OD1 2.8Å; T167-N184 PolarHBondContact N-OD1 3.27Å; V181-N184 WeakPolarHBondContact CG1-ND2 3.27Å; G182-N184 VanDerWaalsContact C-OD1 3.23Å; G182-N184 WeakPolarHBondContact CA-OD1 3.26Å; G182-N184 PolarHBondContact N-OD1 3.22Å; G182-N184 PolarHBondContact O-N 3.18Å; N184-T205 WeakPolarHBondContact CB-OG1 3.3Å; N184-T205 WeakPolarHBondContact O-CB 3.31Å; N184-T205 WeakPolarHBondContact O-CG2 3.42Å; N184-T205 PolarHBondContact O-OG1 2.69Å; N184-G266 PolarHBondContact ND2-O 3.12Å; N184-V269 HydrophobicContact CB-CB 3.81Å; N184-V269 HydrophobicContact CB-CG1 3.66Å; N184-V269 HydrophobicContact CB-CG2 4.4Å; N184-E270 WeakPolarHBondContact ND2-CG 3.39Å; N184-E270 PolarHBondContact ND2-OE1 2.86Å
185P96.4Very high93Very high17 Ų1756.9 Ų56.911%0.1128%0.284CS..  trans-70.4151.6-173.129.8-36.9000113F144 A147 T165 M203F144-P185 HydrophobicContact CE1-CG 4.48Å; A147-P185 HydrophobicContact CB-CB 4.12Å; A147-P185 HydrophobicContact CB-CG 3.94Å; T165-P185 HydrophobicContact CG2-CG 3.72Å; T165-P185 WeakPolarHBondContact O-CD 3.35Å; P185-M203 CarbonylContact C-O 3.58Å; P185-M203 WeakPolarHBondContact CA-O 3.28Å; P185-M203 VanDerWaalsContact CB-O 3.26Å; P185-M203 WeakPolarHBondContact CB-O 3.41Å
186I97.2Very high92.3Very high19 Ų1954.9 Ų54.910%0.09728%0.284CS..EExtended strand (participates in β ladder)trans-121.4132.3173.6-61.4171.4000107.6F164 M203 T205 L265 V269F164-I186 HydrophobicContact CD1-CB 4.19Å; F164-I186 HydrophobicContact CD1-CG1 3.83Å; F164-I186 HydrophobicContact CD1-CG2 4.07Å; F164-I186 HydrophobicContact CE1-CB 4.14Å; F164-I186 HydrophobicContact CE1-CG1 3.93Å; F164-I186 HydrophobicContact CE1-CG2 3.55Å; F164-I186 HydrophobicContact CZ-CG2 4.49Å; I186-M203 PolarHBondContact N-O 2.96Å; I186-M203 PolarHBondContact O-N 3.26Å; I186-T205 HydrophobicContact CD1-CG2 3.61Å; I186-T205 HydrophobicContact CG1-CG2 3.87Å; I186-L265 HydrophobicContact CD1-CB 3.94Å; I186-L265 HydrophobicContact CD1-CD2 3.96Å; I186-L265 HydrophobicContact CD1-CG 4.4Å; I186-V269 HydrophobicContact CD1-CG2 4.02Å; I186-V269 HydrophobicContact CG1-CG2 3.52Å
187T97.6Very high92Very high0 Ų056.4 Ų56.40%029%0.287CS..EExtended strand (participates in β ladder)trans-133147179.668.10000111.8A147 S151 L162 A163 L201 D202A147-T187 HydrophobicContact CB-CG2 3.29Å; S151-T187 PolarHBondContact OG-OG1 3.2Å; L162-T187 VanDerWaalsContact CA-O 3.28Å; L162-T187 WeakPolarHBondContact CA-O 3.41Å; L162-T187 WeakPolarHBondContact CG-O 3.44Å; A163-T187 WeakPolarHBondContact CA-OG1 3.27Å; A163-T187 WeakPolarHBondContact CB-OG1 3.16Å; A163-T187 PolarHBondContact N-O 2.89Å; A163-T187 PolarHBondContact N-OG1 3.41Å; A163-T187 VanDerWaalsContact N-OG1 3.15Å; A163-T187 PolarHBondContact O-N 3.18Å; A163-T187 PolarHBondContact O-OG1 3.4Å; T187-L201 CarbonylContact C-O 3.52Å; T187-L201 WeakPolarHBondContact CA-O 3.47Å; T187-L201 WeakPolarHBondContact CB-O 3.31Å; T187-D202 HydrophobicContact CG2-CB 4.12Å; T187-D202 WeakPolarHBondContact CG2-OD1 3.35Å
188L97.4Very high91.9Very high46 Ų4651.4 Ų51.424%0.24127%0.271CS..EExtended strand (participates in β ladder)trans-143.4133.8175.3-178.4146.1000108.9I160 G161 L162 A190 F199 V200 L201I160-L188 HydrophobicContact CG2-CG 4.44Å; G161-L188 CarbonylContact O-C 3.58Å; G161-L188 VanDerWaalsContact O-CA 3.23Å; G161-L188 WeakPolarHBondContact O-CA 3.29Å; L162-L188 HydrophobicContact CD1-CB 4.21Å; L162-L188 HydrophobicContact CD1-CD1 3.59Å; L162-L188 HydrophobicContact CD1-CG 3.74Å; L162-L188 HydrophobicContact CD2-CD1 4.27Å; L162-L188 HydrophobicContact CG-CB 4.17Å; L162-L188 HydrophobicContact CG-CD1 4.09Å; L162-L188 HydrophobicContact CG-CG 4.24Å; L188-A190 HydrophobicContact CD2-CB 3.94Å; L188-F199 HydrophobicContact CD2-CD1 3.52Å; L188-F199 HydrophobicContact CD2-CE1 3.76Å; L188-V200 CarbonylContact O-C 3.47Å; L188-V200 WeakPolarHBondContact O-CA 3.28Å; L188-L201 HydrophobicContact CB-CB 4.38Å; L188-L201 PolarHBondContact N-O 3.15Å; L188-L201 PolarHBondContact O-N 3.5Å
189A95.3Very high92Very high0 Ų048.2 Ų48.20%026%0.262CS..EExtended strand (participates in β ladder)trans-127.5127167.500000108.4S151 L152 L155 I160 G161 F199 V200S151-A189 WeakPolarHBondContact O-CB 3.34Å; L152-A189 HydrophobicContact CD2-CB 4.5Å; L155-A189 HydrophobicContact CB-CB 3.88Å; L155-A189 HydrophobicContact CD1-CB 3.84Å; L155-A189 HydrophobicContact CG-CB 4.45Å; I160-A189 CarbonylContact C-O 3.42Å; I160-A189 VanDerWaalsContact CA-O 3.3Å; I160-A189 WeakPolarHBondContact CA-O 3.45Å; G161-A189 PolarHBondContact N-O 3.45Å; G161-A189 PolarHBondContact O-N 2.79Å; A189-F199 CarbonylContact C-O 3.42Å; A189-F199 WeakPolarHBondContact CA-O 3.44Å; A189-V200 HydrophobicContact CB-CG1 4.45Å; A189-V200 HydrophobicContact CB-CG2 4.21Å
190A94.5Very high92Very high22 Ų2248.1 Ų48.118%0.18226%0.264CS..EExtended strand (participates in β ladder)trans-128129.1-179.200000110.6L155 I160 L188 F199L155-A190 VanDerWaalsContact CD1-C 3.42Å; I160-A190 HydrophobicContact CG1-CB 4.07Å; I160-A190 HydrophobicContact CG2-CB 4.37Å; L188-A190 HydrophobicContact CD2-CB 3.94Å; A190-F199 PolarHBondContact N-O 2.83Å; A190-F199 PolarHBondContact O-N 3.44Å
191P90.8Very high92.1Very high34 Ų3449.5 Ų49.522%0.22127%0.267CS..  trans-69.5132.9178.427.5-33.2000111.1H198P191-H198 WeakPolarHBondContact CA-ND1 3.33Å
192G88.6Confident92.1Very high19 Ų1951.3 Ų51.320%0.19628%0.276CS..  trans-83.8179.516900000112.7D197 H198G192-D197 VanDerWaalsContact CA-O 3.29Å; G192-D197 WeakPolarHBondContact CA-O 3.48Å; G192-H198 PolarHBondContact N-ND1 2.78Å
193K81.2Confident92.1Very high126 Ų12654.1 Ų54.155%0.54829%0.29SS..SBendtrans-72.4-39.3176.8-80176.5176.6-176.50113.3F7F7-K193 HydrophobicContact CB-CD 4.11Å; F7-K193 HydrophobicContact CB-CG 3.6Å; F7-K193 HydrophobicContact CD1-CB 4.1Å; F7-K193 HydrophobicContact CD1-CG 3.4Å; F7-K193 VanDerWaalsContact CD1-CG 3.4Å; F7-K193 HydrophobicContact CE1-CG 4.27Å; F7-K193 HydrophobicContact CG-CG 3.77Å
194V85.5Confident92.1Very high88 Ų8854.4 Ų54.453%0.53329%0.294SS..SBendtrans-92.5139.5-176.9-177.30000108E196 D197V194-E196 PolarHBondContact O-N 2.97Å; V194-D197 HydrophobicContact CB-CB 4.04Å; V194-D197 PolarHBondContact O-N 3.25Å
195P81.1Confident92.2Very high113 Ų11354.5 Ų54.573%0.73430%0.295SS*.THydrogen-bonded Turntrans-50.1136.5173.1-27.435.2000111.6D197P195-D197 PolarHBondContact O-N 3.11Å; P195-D197 VanDerWaalsContact O-N 3.14Å
196E80.7Confident92.3Very high169 Ų16953.9 Ų53.979%0.7929%0.291SS*.THydrogen-bonded Turntrans65.63.6178.7-52.6-58.314700116.5V194 H198V194-E196 PolarHBondContact O-N 2.97Å; E196-H198 PolarHBondContact O-N 3.03Å
197D88.6Confident92.2Very high67 Ų6754.5 Ų54.536%0.35830%0.299SS..  trans-98.265.4175.9-169.529.3000111.2G192 V194 P195G192-D197 VanDerWaalsContact CA-O 3.29Å; G192-D197 WeakPolarHBondContact CA-O 3.48Å; V194-D197 HydrophobicContact CB-CB 4.04Å; V194-D197 PolarHBondContact O-N 3.25Å; P195-D197 PolarHBondContact O-N 3.11Å; P195-D197 VanDerWaalsContact O-N 3.14Å
198H92.2Very high92.1Very high64 Ų6454.9 Ų54.930%0.29630%0.301SS..  trans-99.6144.6-173.4-58-54.9000112.2L155 P191 G192 E196 V200L155-H198 HydrophobicContact CD1-CB 3.73Å; L155-H198 HydrophobicContact CD2-CB 4.25Å; P191-H198 WeakPolarHBondContact CA-ND1 3.33Å; G192-H198 PolarHBondContact N-ND1 2.78Å; E196-H198 PolarHBondContact O-N 3.03Å; H198-V200 HydrophobicContact CB-CG2 4.46Å
199F94.9Very high91.8Very high124 Ų12453.7 Ų53.754%0.54430%0.298SS..EExtended strand (participates in β ladder)trans-87.9127.7167.8179.7-93000109.8L188 A189 A190 L201L188-F199 HydrophobicContact CD2-CD1 3.52Å; L188-F199 HydrophobicContact CD2-CE1 3.76Å; A189-F199 CarbonylContact C-O 3.42Å; A189-F199 WeakPolarHBondContact CA-O 3.44Å; A190-F199 PolarHBondContact N-O 2.83Å; A190-F199 PolarHBondContact O-N 3.44Å; F199-L201 HydrophobicContact CE1-CB 3.85Å; F199-L201 HydrophobicContact CZ-CB 4.14Å
200V94.4Very high91.6Very high50 Ų5054.7 Ų54.730%0.30330%0.303SS..EExtended strand (participates in β ladder)trans-137.5121178.2-174.50000110L152 L188 A189 H198L152-V200 HydrophobicContact CD2-CG1 4.22Å; L152-V200 HydrophobicContact CD2-CG2 3.91Å; L188-V200 CarbonylContact O-C 3.47Å; L188-V200 WeakPolarHBondContact O-CA 3.28Å; A189-V200 HydrophobicContact CB-CG1 4.45Å; A189-V200 HydrophobicContact CB-CG2 4.21Å; H198-V200 HydrophobicContact CB-CG2 4.46Å
201L96Very high91.3Very high58 Ų5854.2 Ų54.230%0.30430%0.3SS..EExtended strand (participates in β ladder)trans-111.1129.4173.4179.369.6000109.3T187 L188 F199 M203T187-L201 CarbonylContact C-O 3.52Å; T187-L201 WeakPolarHBondContact CA-O 3.47Å; T187-L201 WeakPolarHBondContact CB-O 3.31Å; L188-L201 HydrophobicContact CB-CB 4.38Å; L188-L201 PolarHBondContact N-O 3.15Å; L188-L201 PolarHBondContact O-N 3.5Å; F199-L201 HydrophobicContact CE1-CB 3.85Å; F199-L201 HydrophobicContact CZ-CB 4.14Å; L201-M203 HydrophobicContact CD1-CB 4.49Å; L201-M203 HydrophobicContact CD1-CG 4.17Å; L201-M203 HydrophobicContact CD1-SD 3.94Å; L201-M203 HydrophobicContact CD2-CE 4.17Å; L201-M203 HydrophobicContact CD2-CG 4.48Å; L201-M203 HydrophobicContact CD2-SD 4.24Å; L201-M203 HydrophobicContact CG-CG 4.27Å; L201-M203 HydrophobicContact CG-SD 4.38Å
202D94.7Very high91.2Very high41 Ų4158.1 Ų58.122%0.21931%0.314CS..EExtended strand (participates in β ladder)trans-142107.2169.2-174-9.2000109.5I146 G148 T187I146-D202 WeakPolarHBondContact CG1-OD2 3.32Å; G148-D202 VanDerWaalsContact CA-OD2 3.29Å; G148-D202 WeakPolarHBondContact CA-OD2 3.1Å; G148-D202 PolarHBondContact N-OD2 2.96Å; T187-D202 HydrophobicContact CG2-CB 4.12Å; T187-D202 WeakPolarHBondContact CG2-OD1 3.35Å
203M95.5Very high91.4Very high60 Ų6057.2 Ų57.230%0.29630%0.304SS..EExtended strand (participates in β ladder)trans-143.9144.3-174.467177.5-167.200112.7P185 I186 L201 L265P185-M203 CarbonylContact C-O 3.58Å; P185-M203 WeakPolarHBondContact CA-O 3.28Å; P185-M203 VanDerWaalsContact CB-O 3.26Å; P185-M203 WeakPolarHBondContact CB-O 3.41Å; I186-M203 PolarHBondContact N-O 2.96Å; I186-M203 PolarHBondContact O-N 3.26Å; L201-M203 HydrophobicContact CD1-CB 4.49Å; L201-M203 HydrophobicContact CD1-CG 4.17Å; L201-M203 HydrophobicContact CD1-SD 3.94Å; L201-M203 HydrophobicContact CD2-CE 4.17Å; L201-M203 HydrophobicContact CD2-CG 4.48Å; L201-M203 HydrophobicContact CD2-SD 4.24Å; L201-M203 HydrophobicContact CG-CG 4.27Å; L201-M203 HydrophobicContact CG-SD 4.38Å; M203-L265 HydrophobicContact CE-CD1 4.34Å
204A95.7Very high91.8Very high25 Ų2552.1 Ų52.121%0.20728%0.283CS..  trans-72.5152.3162.400000110.2T183 S206T183-A204 CarbonylContact O-C 3.52Å; T183-A204 WeakPolarHBondContact O-CA 3.1Å; A204-S206 VanDerWaalsContact C-N 3.26Å
205T97.9Very high91.9Very high3 Ų351.9 Ų51.92%0.01828%0.276CS..SBendtrans-86.31.217252.70000112.8T183 N184 I186 L251 L265 G266T183-T205 PolarHBondContact O-N 3.04Å; T183-T205 PolarHBondContact O-OG1 3.07Å; T183-T205 VanDerWaalsContact O-OG1 3.09Å; N184-T205 WeakPolarHBondContact CB-OG1 3.3Å; N184-T205 WeakPolarHBondContact O-CB 3.31Å; N184-T205 WeakPolarHBondContact O-CG2 3.42Å; N184-T205 PolarHBondContact O-OG1 2.69Å; I186-T205 HydrophobicContact CD1-CG2 3.61Å; I186-T205 HydrophobicContact CG1-CG2 3.87Å; T205-L251 VanDerWaalsContact O-CB 3.3Å; T205-L251 WeakPolarHBondContact O-CB 3.5Å; T205-L251 PolarHBondContact O-N 3.34Å; T205-L265 HydrophobicContact CG2-CB 3.52Å; T205-G266 WeakPolarHBondContact OG1-CA 3.5Å
206S97.7Very high92.3Very high4 Ų447.2 Ų47.23%0.02825%0.246CC..BIsolated β-bridgetrans-85160.1165.557.90000112A204 V208 M249A204-S206 VanDerWaalsContact C-N 3.26Å; S206-V208 PolarHBondContact O-N 3.24Å; S206-V208 VanDerWaalsContact O-N 3.16Å; S206-V208 PolarHBondContact OG-O 3.47Å; S206-M249 CarbonylContact C-O 3.55Å; S206-M249 WeakPolarHBondContact CA-O 3.35Å; S206-M249 WeakPolarHBondContact CB-O 3.4Å
207A97Very high92.9Very high31 Ų3143.5 Ų43.526%0.25623%0.225SC..SBendtrans-56-32.9176.200000112.2G226 M249 P250A207-G226 WeakPolarHBondContact CB-O 3.48Å; A207-M249 HydrophobicContact CB-CB 4.32Å; A207-M249 PolarHBondContact N-O 3.08Å; A207-P250 WeakPolarHBondContact CB-O 3.26Å; A207-P250 VanDerWaalsContact N-C 3.32Å; A207-P250 PolarHBondContact N-O 2.94Å
208V94.1Very high92.9Very high8 Ų848.1 Ų48.15%0.04824%0.238CC..SBendtrans-150.4152.4177.875.80000110.3S206 K212 I213 W227 L248S206-V208 PolarHBondContact O-N 3.24Å; S206-V208 VanDerWaalsContact O-N 3.16Å; S206-V208 PolarHBondContact OG-O 3.47Å; V208-K212 HydrophobicContact CG2-CB 3.64Å; V208-K212 HydrophobicContact CG2-CD 3.31Å; V208-K212 HydrophobicContact CG2-CG 4.02Å; V208-I213 HydrophobicContact CG1-CD1 3.91Å; V208-I213 HydrophobicContact CG1-CG1 3.83Å; V208-W227 HydrophobicContact CB-CB 4.48Å; V208-W227 HydrophobicContact CB-CD2 3.8Å; V208-W227 HydrophobicContact CB-CE3 4.08Å; V208-W227 HydrophobicContact CB-CG 4Å; V208-W227 HydrophobicContact CG1-CB 3.8Å; V208-W227 HydrophobicContact CG1-CD2 3.81Å; V208-W227 HydrophobicContact CG1-CE3 3.86Å; V208-W227 HydrophobicContact CG1-CG 3.83Å; V208-W227 HydrophobicContact CG2-CD2 3.86Å; V208-W227 HydrophobicContact CG2-CE3 3.78Å; V208-W227 HydrophobicContact CG2-CH2 4.04Å; V208-W227 HydrophobicContact CG2-CZ2 4.1Å; V208-W227 HydrophobicContact CG2-CZ3 3.88Å; V208-L248 HydrophobicContact CG1-CD2 3.98Å
209A91.3Very high92.8Very high21 Ų2151.8 Ų51.817%0.17425%0.249CC..  trans-67.5138.8168.800000111G211 K212A209-G211 PolarHBondContact O-N 3.42Å; A209-G211 VanDerWaalsContact O-N 3.08Å; A209-K212 WeakPolarHBondContact O-CB 3.47Å; A209-K212 PolarHBondContact O-N 3.3Å
210L91.9Very high92.6Very high22 Ų2249.2 Ų49.212%0.11526%0.257CS..Hα-helixtrans-50.3-39.8-179.5-175.164.4000112.8L170 K212 I213 E214 L248 W288L170-L210 HydrophobicContact CD1-CD2 3.93Å; L170-L210 HydrophobicContact CD2-CD2 3.94Å; L210-K212 PolarHBondContact O-N 2.85Å; L210-K212 VanDerWaalsContact O-N 3.15Å; L210-I213 PolarHBondContact O-N 3.41Å; L210-E214 PolarHBondContact O-N 3.02Å; L210-L248 HydrophobicContact CB-CD1 4.1Å; L210-L248 HydrophobicContact CD1-CD1 4.38Å; L210-L248 HydrophobicContact CD1-CD2 4.37Å; L210-L248 HydrophobicContact CD1-CG 4.38Å; L210-W288 HydrophobicContact CD2-CG 4.37Å
211G87.7Confident92.6Very high11 Ų1150.8 Ų50.811%0.11326%0.263CS..Hα-helixtrans-60.3-23.7-179.700000114.9A209 M215A209-G211 PolarHBondContact O-N 3.42Å; A209-G211 VanDerWaalsContact O-N 3.08Å; G211-M215 PolarHBondContact O-N 3.27Å
212K88.5Confident92.7Very high117 Ų11755 Ų5551%0.50928%0.282SS..Hα-helixtrans-74.5-35.4174.7-71.6178.7168.1-177.90111.8V208 A209 L210 M215 S216 W227V208-K212 HydrophobicContact CG2-CB 3.64Å; V208-K212 HydrophobicContact CG2-CD 3.31Å; V208-K212 HydrophobicContact CG2-CG 4.02Å; A209-K212 WeakPolarHBondContact O-CB 3.47Å; A209-K212 PolarHBondContact O-N 3.3Å; L210-K212 PolarHBondContact O-N 2.85Å; L210-K212 VanDerWaalsContact O-N 3.15Å; K212-M215 PolarHBondContact O-N 3.39Å; K212-S216 PolarHBondContact O-N 3.22Å; K212-S216 VanDerWaalsContact O-N 3.13Å; K212-S216 PolarHBondContact O-OG 3.34Å; K212-W227 HydrophobicContact CB-CZ3 4.13Å
213I92.8Very high92.8Very high0 Ų053.3 Ų53.30%027%0.272CS..Hα-helixtrans-68.7-40.9171.6-56-167.9000109.6V208 L210 M215 S216 R217 I223 W227 P239 V242 M243 L248V208-I213 HydrophobicContact CG1-CD1 3.91Å; V208-I213 HydrophobicContact CG1-CG1 3.83Å; L210-I213 PolarHBondContact O-N 3.41Å; I213-M215 VanDerWaalsContact C-N 3.32Å; I213-M215 PolarHBondContact O-N 3.11Å; I213-S216 PolarHBondContact O-N 2.77Å; I213-S216 VanDerWaalsContact O-N 3.11Å; I213-R217 PolarHBondContact O-N 3.38Å; I213-I223 HydrophobicContact CD1-CD1 3.85Å; I213-I223 HydrophobicContact CG1-CD1 4.25Å; I213-I223 HydrophobicContact CG1-CG2 4.46Å; I213-I223 HydrophobicContact CG2-CD1 4.24Å; I213-I223 HydrophobicContact CG2-CG2 4.37Å; I213-W227 HydrophobicContact CD1-CB 4.47Å; I213-W227 HydrophobicContact CG1-CE3 4.39Å; I213-P239 HydrophobicContact CG2-CB 3.76Å; I213-V242 HydrophobicContact CD1-CG1 3.69Å; I213-V242 HydrophobicContact CG2-CB 4.37Å; I213-V242 HydrophobicContact CG2-CG1 4.17Å; I213-M243 HydrophobicContact CG2-CG 3.8Å; I213-L248 HydrophobicContact CD1-CD2 3.28Å; I213-L248 HydrophobicContact CG1-CD2 4.18Å
214E90.5Very high92.8Very high19 Ų1953.7 Ų53.79%0.08928%0.279CS..Hα-helixtrans-57.5-43.1174.5-171.6-178.3177.100112.7R75 L210 R217 R218 M243R75-E214 IonicContact CZ-OE2 2.72Å; R75-E214 IonicContact NH1-OE2 3.72Å; R75-E214 PolarHBondContact NH1-OE2 2.7Å; R75-E214 IonicContact NH2-OE2 2.72Å; R75-E214 PolarHBondContact NH2-OE2 2.82Å; L210-E214 PolarHBondContact O-N 3.02Å; E214-R217 PolarHBondContact O-N 2.68Å; E214-R218 WeakPolarHBondContact O-CG 3.46Å; E214-R218 PolarHBondContact O-N 3.49Å; E214-R218 IonicContact OE1-CZ 2.68Å; E214-R218 IonicContact OE1-NE 2.79Å; E214-R218 IonicContact OE1-NH2 3.38Å; E214-R218 PolarHBondContact OE1-NH2 2.59Å; E214-M243 WeakPolarHBondContact CA-SD 3.44Å; E214-M243 HydrophobicContact CB-CE 3.93Å; E214-M243 HydrophobicContact CB-SD 3.79Å; E214-M243 HydrophobicContact CG-CE 3.95Å; E214-M243 HydrophobicContact CG-SD 4.08Å
215M86.2Confident92.8Very high82 Ų8258.7 Ų58.740%0.40430%0.296SS..Hα-helixtrans-63.3-42.2174.8-173.9606400112.2G211 K212 I213 R218 R219G211-M215 PolarHBondContact O-N 3.27Å; K212-M215 PolarHBondContact O-N 3.39Å; I213-M215 VanDerWaalsContact C-N 3.32Å; I213-M215 PolarHBondContact O-N 3.11Å; M215-R218 PolarHBondContact O-N 2.91Å; M215-R219 WeakPolarHBondContact O-CG 3.34Å; M215-R219 PolarHBondContact O-N 3.35Å; M215-R219 VanDerWaalsContact O-N 3.09Å
216S90.2Very high92.7Very high15 Ų1559 Ų5911%0.10530%0.3CS..Hα-helixtrans-65.2-41.3178.7-530000111.2K212 I213 R218 R219 G220 I221 I223K212-S216 PolarHBondContact O-N 3.22Å; K212-S216 VanDerWaalsContact O-N 3.13Å; K212-S216 PolarHBondContact O-OG 3.34Å; I213-S216 PolarHBondContact O-N 2.77Å; I213-S216 VanDerWaalsContact O-N 3.11Å; S216-R218 PolarHBondContact O-N 2.79Å; S216-R219 CarbonylContact O-C 3.08Å; S216-R219 PolarHBondContact O-N 3.2Å; S216-G220 PolarHBondContact O-N 2.98Å; S216-I221 PolarHBondContact O-N 3.43Å; S216-I221 VanDerWaalsContact O-N 3.11Å; S216-I223 VanDerWaalsContact CB-CG2 3.48Å
217R93Very high92.7Very high91 Ų9162.2 Ų62.234%0.34331%0.312SS..Hα-helixtrans-57.6-48.5172.3-169.8-17770.3178.50.1111.9I213 E214 R219 G220 P239 N240 M243I213-R217 PolarHBondContact O-N 3.38Å; E214-R217 PolarHBondContact O-N 2.68Å; R217-R219 PolarHBondContact O-N 3.5Å; R217-G220 PolarHBondContact O-N 3.41Å; R217-G220 VanDerWaalsContact O-N 3.14Å; R217-P239 HydrophobicContact CB-CB 4Å; R217-P239 HydrophobicContact CB-CG 4.28Å; R217-N240 HydrophobicContact CG-CB 4.25Å; R217-M243 HydrophobicContact CB-SD 4.09Å; R217-M243 HydrophobicContact CG-SD 4.48Å; R217-M243 PolarHBondContact NE-SD 3.36Å; R217-M243 VanDerWaalsContact NE-SD 3.43Å
218R88.9Confident92.7Very high164 Ų16460.8 Ų60.862%0.61930%0.3SS*.Hα-helixtrans-62.4-30.9179.1-71.3176.1-171.7-152.42.3112.6E214 M215 S216E214-R218 WeakPolarHBondContact O-CG 3.46Å; E214-R218 PolarHBondContact O-N 3.49Å; E214-R218 IonicContact OE1-CZ 2.68Å; E214-R218 IonicContact OE1-NE 2.79Å; E214-R218 IonicContact OE1-NH2 3.38Å; E214-R218 PolarHBondContact OE1-NH2 2.59Å; M215-R218 PolarHBondContact O-N 2.91Å; S216-R218 PolarHBondContact O-N 2.79Å
219R89Confident92.9Very high141 Ų14160.4 Ų60.453%0.53230%0.297SS..Hα-helixtrans-87.3-8.3178.1-68.8175.9-177.3-175.8-0.8113.6M215 S216 R217 I221M215-R219 WeakPolarHBondContact O-CG 3.34Å; M215-R219 PolarHBondContact O-N 3.35Å; M215-R219 VanDerWaalsContact O-N 3.09Å; S216-R219 CarbonylContact O-C 3.08Å; S216-R219 PolarHBondContact O-N 3.2Å; R217-R219 PolarHBondContact O-N 3.5Å; R219-I221 VanDerWaalsContact C-N 3.27Å; R219-I221 HydrophobicContact CB-CD1 4.26Å; R219-I221 HydrophobicContact CB-CG1 4.06Å; R219-I221 HydrophobicContact CB-CG2 4.33Å; R219-I221 PolarHBondContact O-N 3.23Å
220G91.6Very high93.1Very high70 Ų7060.9 Ų60.972%0.72230%0.297SS*.THydrogen-bonded Turntrans64.329.7-17600000113.7S216 R217S216-G220 PolarHBondContact O-N 2.98Å; R217-G220 PolarHBondContact O-N 3.41Å; R217-G220 VanDerWaalsContact O-N 3.14Å
221I94.4Very high93.3Very high83 Ų8363.4 Ų63.443%0.42631%0.313SS..  trans-110.2145.4179.663.7178.1000110.9S216 R219 P239S216-I221 PolarHBondContact O-N 3.43Å; S216-I221 VanDerWaalsContact O-N 3.11Å; R219-I221 VanDerWaalsContact C-N 3.27Å; R219-I221 HydrophobicContact CB-CD1 4.26Å; R219-I221 HydrophobicContact CB-CG1 4.06Å; R219-I221 HydrophobicContact CB-CG2 4.33Å; R219-I221 PolarHBondContact O-N 3.23Å; I221-P239 WeakPolarHBondContact O-CG 3.31Å
222E97.6Very high93.6Very high148 Ų14867.2 Ų67.269%0.69233%0.331SS*.PPolyproline II helixtrans-62.2151.2174.7-65.8-172.515200112V237E222-V237 WeakPolarHBondContact CA-O 3.46Å; E222-V237 HydrophobicContact CB-CB 4.37Å; E222-V237 HydrophobicContact CG-CG2 4.45Å
223I96.5Very high93.9Very high5 Ų562.5 Ų62.53%0.02632%0.316CS..PPolyproline II helixtrans-96.5152.8171.458.5173.4000110.5I213 S216 W227 V237 P239 V242I213-I223 HydrophobicContact CD1-CD1 3.85Å; I213-I223 HydrophobicContact CG1-CD1 4.25Å; I213-I223 HydrophobicContact CG1-CG2 4.46Å; I213-I223 HydrophobicContact CG2-CD1 4.24Å; I213-I223 HydrophobicContact CG2-CG2 4.37Å; S216-I223 VanDerWaalsContact CB-CG2 3.48Å; I223-W227 HydrophobicContact CB-CE3 4.02Å; I223-W227 HydrophobicContact CD1-CB 4.07Å; I223-W227 HydrophobicContact CG2-CE3 4.14Å; I223-V237 WeakPolarHBondContact CG1-O 3.45Å; I223-V237 PolarHBondContact N-O 3.48Å; I223-V237 WeakPolarHBondContact O-CB 3.42Å; I223-V237 WeakPolarHBondContact O-CG1 3.25Å; I223-P239 HydrophobicContact CG2-CB 3.94Å; I223-V242 HydrophobicContact CD1-CG2 4.04Å
224P96Very high94.1Very high67 Ų6769 Ų6944%0.43534%0.344SS..PPolyproline II helixtrans-55.5142.1171.5-2635000112.7G226 W227P224-G226 PolarHBondContact O-N 2.99Å; P224-W227 HydrophobicContact CB-CD2 4.33Å; P224-W227 HydrophobicContact CB-CG 4.34Å; P224-W227 HydrophobicContact CG-CD2 4.11Å; P224-W227 HydrophobicContact CG-CE3 4.49Å; P224-W227 HydrophobicContact CG-CH2 4.26Å; P224-W227 HydrophobicContact CG-CZ2 3.86Å; P224-W227 WeakPolarHBondContact O-CB 3.29Å; P224-W227 PolarHBondContact O-N 3.05Å
225K95.8Very high94.3Very high131 Ų13169.5 Ų69.557%0.5735%0.349SS*.THydrogen-bonded Turntrans-55.1138.5172.1-168.5-172.4-178.5-140.60109.8T235 V237 E254K225-T235 WeakPolarHBondContact CE-OG1 3.5Å; K225-V237 HydrophobicContact CB-CG1 4.27Å; K225-E254 WeakPolarHBondContact CE-OE2 3.45Å; K225-E254 IonicContact NZ-OE1 3.54Å; K225-E254 IonicContact NZ-OE2 2.59Å; K225-E254 PolarHBondContact NZ-OE2 3.45Å
226G95.6Very high94.9Very high10 Ų1066.5 Ų66.510%0.10334%0.336CS..THydrogen-bonded Turntrans89.1-2.8178.800000115A207 P224 M249A207-G226 WeakPolarHBondContact CB-O 3.48Å; P224-G226 PolarHBondContact O-N 2.99Å; G226-M249 VanDerWaalsContact O-CB 3.25Å; G226-M249 WeakPolarHBondContact O-CB 3.48Å; G226-M249 WeakPolarHBondContact O-CG 3.42Å
227W97.5Very high95.2Very high71 Ų7168.3 Ų68.327%0.26935%0.346SS..SBendtrans-77.2-40171.2-81.322.1000112.7V208 K212 I213 I223 P224 M249V208-W227 HydrophobicContact CB-CB 4.48Å; V208-W227 HydrophobicContact CB-CD2 3.8Å; V208-W227 HydrophobicContact CB-CE3 4.08Å; V208-W227 HydrophobicContact CB-CG 4Å; V208-W227 HydrophobicContact CG1-CB 3.8Å; V208-W227 HydrophobicContact CG1-CD2 3.81Å; V208-W227 HydrophobicContact CG1-CE3 3.86Å; V208-W227 HydrophobicContact CG1-CG 3.83Å; V208-W227 HydrophobicContact CG2-CD2 3.86Å; V208-W227 HydrophobicContact CG2-CE3 3.78Å; V208-W227 HydrophobicContact CG2-CH2 4.04Å; V208-W227 HydrophobicContact CG2-CZ2 4.1Å; V208-W227 HydrophobicContact CG2-CZ3 3.88Å; K212-W227 HydrophobicContact CB-CZ3 4.13Å; I213-W227 HydrophobicContact CD1-CB 4.47Å; I213-W227 HydrophobicContact CG1-CE3 4.39Å; I223-W227 HydrophobicContact CB-CE3 4.02Å; I223-W227 HydrophobicContact CD1-CB 4.07Å; I223-W227 HydrophobicContact CG2-CE3 4.14Å; P224-W227 HydrophobicContact CB-CD2 4.33Å; P224-W227 HydrophobicContact CB-CG 4.34Å; P224-W227 HydrophobicContact CG-CD2 4.11Å; P224-W227 HydrophobicContact CG-CE3 4.49Å; P224-W227 HydrophobicContact CG-CH2 4.26Å; P224-W227 HydrophobicContact CG-CZ2 3.86Å; P224-W227 WeakPolarHBondContact O-CB 3.29Å; P224-W227 PolarHBondContact O-N 3.05Å; W227-M249 PolarHBondContact O-N 3.33Å
228G97.3Very high95.5Very high0 Ų067.1 Ų67.10%035%0.347CS..EExtended strand (participates in β ladder)trans-144.2170-177.700000112.5T235 S236 G247G228-T235 WeakPolarHBondContact O-CA 3.09Å; G228-S236 PolarHBondContact O-N 3.27Å; G228-G247 CarbonylContact C-O 3.5Å; G228-G247 VanDerWaalsContact CA-O 3.26Å; G228-G247 WeakPolarHBondContact CA-O 3.35Å
229A97.7Very high95.9Very high0 Ų059.8 Ų59.80%032%0.32CS..EExtended strand (participates in β ladder)trans-137.7159.6-179.400000111.4F172 K234 G246 G247 M249F172-A229 HydrophobicContact CD2-CB 3.88Å; F172-A229 HydrophobicContact CE2-CB 3.72Å; A229-K234 CarbonylContact C-O 3.51Å; A229-K234 WeakPolarHBondContact CA-O 3.42Å; A229-K234 WeakPolarHBondContact CB-O 3.31Å; A229-G246 CarbonylContact O-C 3.43Å; A229-G246 WeakPolarHBondContact O-CA 3.49Å; A229-G247 PolarHBondContact N-O 3Å; A229-G247 PolarHBondContact O-N 3.49Å; A229-M249 HydrophobicContact CB-CG 4.41Å; A229-M249 HydrophobicContact CB-SD 3.65Å
230D96.6Very high96.2Very high31 Ų3156.9 Ų56.917%0.16632%0.315CS..  trans-78.8-166.9176.566.816.5000113.1F172 D232 G233 K234 L241F172-D230 VanDerWaalsContact CZ-O 3.23Å; F172-D230 WeakPolarHBondContact CZ-O 3.08Å; D230-D232 PolarHBondContact O-N 3.06Å; D230-D232 WeakPolarHBondContact OD1-CA 3.39Å; D230-D232 WeakPolarHBondContact OD1-CB 3.35Å; D230-D232 PolarHBondContact OD1-N 3.13Å; D230-G233 PolarHBondContact O-N 3.29Å; D230-G233 PolarHBondContact OD1-N 3.47Å; D230-K234 PolarHBondContact N-O 3.27Å; D230-K234 PolarHBondContact OD1-N 3.44Å; D230-L241 HydrophobicContact CB-CD2 3.75Å; D230-L241 HydrophobicContact CB-CG 4.18Å
231T95.1Very high96.5Very high75 Ų7555.8 Ų55.846%0.4629%0.293SS..THydrogen-bonded Turntrans-64-21.917947.80000114.4K245T231-K245 HydrophobicContact CG2-CB 3.44Å; T231-K245 VanDerWaalsContact CG2-CB 3.44Å; T231-K245 HydrophobicContact CG2-CD 4.46Å; T231-K245 VanDerWaalsContact CG2-O 3.27Å; T231-K245 WeakPolarHBondContact CG2-O 3.37Å
232D95Very high96.6Very high91 Ų9152 Ų5249%0.48727%0.273SS..THydrogen-bonded Turntrans-93.90.5-179.4-68.7-30.3000112R177 D230 K234R177-D232 WeakPolarHBondContact CB-O 3.27Å; D230-D232 PolarHBondContact O-N 3.06Å; D230-D232 WeakPolarHBondContact OD1-CA 3.39Å; D230-D232 WeakPolarHBondContact OD1-CB 3.35Å; D230-D232 PolarHBondContact OD1-N 3.13Å; D232-K234 VanDerWaalsContact C-N 3.28Å; D232-K234 HydrophobicContact CB-CD 4.32Å; D232-K234 HydrophobicContact CB-CG 4.26Å
233G94.6Very high96.4Very high19 Ų1947.1 Ų47.120%0.19625%0.251CS..SBendtrans74.518.9-174.100000113D230D230-G233 PolarHBondContact O-N 3.29Å; D230-G233 PolarHBondContact OD1-N 3.47Å
234K96.2Very high96.3Very high135 Ų13550.6 Ų50.659%0.58727%0.273SS*.  trans-94.1140.4176-64.5176.1-177.8166.60110.2A229 D230 D232 S236A229-K234 CarbonylContact C-O 3.51Å; A229-K234 WeakPolarHBondContact CA-O 3.42Å; A229-K234 WeakPolarHBondContact CB-O 3.31Å; D230-K234 PolarHBondContact N-O 3.27Å; D230-K234 PolarHBondContact OD1-N 3.44Å; D232-K234 VanDerWaalsContact C-N 3.28Å; D232-K234 HydrophobicContact CB-CD 4.32Å; D232-K234 HydrophobicContact CB-CG 4.26Å; K234-S236 PolarHBondContact O-N 3.06Å
235T96.6Very high96.2Very high31 Ų3154.4 Ų54.419%0.1928%0.282CS..EExtended strand (participates in β ladder)trans-58.6139.3-176.147.10000112.5K225 G228 M249 E254K225-T235 WeakPolarHBondContact CE-OG1 3.5Å; G228-T235 WeakPolarHBondContact O-CA 3.09Å; T235-M249 HydrophobicContact CG2-CE 4.09Å; T235-M249 HydrophobicContact CG2-CG 4.27Å; T235-M249 HydrophobicContact CG2-SD 4.29Å; T235-E254 VanDerWaalsContact CG2-CD 3.44Å; T235-E254 HydrophobicContact CG2-CG 3.36Å; T235-E254 WeakPolarHBondContact CG2-OE1 3.42Å; T235-E254 PolarHBondContact OG1-OE1 3.08Å
236S97.3Very high96.2Very high19 Ų1948.7 Ų48.713%0.13326%0.261CS..EExtended strand (participates in β ladder)trans-136.9148.1179.8-175.40000110.9G228 K234 D238G228-S236 PolarHBondContact O-N 3.27Å; K234-S236 PolarHBondContact O-N 3.06Å; S236-D238 PolarHBondContact OG-N 3.36Å
237V98Very high96.3Very high52 Ų5248.5 Ų48.532%0.31526%0.258SS..SBendtrans-100-5.6174.3-60.10000112.5E222 I223 K225 P239E222-V237 WeakPolarHBondContact CA-O 3.46Å; E222-V237 HydrophobicContact CB-CB 4.37Å; E222-V237 HydrophobicContact CG-CG2 4.45Å; I223-V237 WeakPolarHBondContact CG1-O 3.45Å; I223-V237 PolarHBondContact N-O 3.48Å; I223-V237 WeakPolarHBondContact O-CB 3.42Å; I223-V237 WeakPolarHBondContact O-CG1 3.25Å; K225-V237 HydrophobicContact CB-CG1 4.27Å; V237-P239 VanDerWaalsContact O-CD 3.25Å; V237-P239 WeakPolarHBondContact O-CD 3.42Å
238D97.9Very high96.3Very high67 Ų6745.1 Ų45.136%0.35825%0.246SC..  trans-84.2107.7177.2176.7-3.6000110.2S236 N240 L241 V242S236-D238 PolarHBondContact OG-N 3.36Å; D238-N240 VanDerWaalsContact C-N 3.25Å; D238-N240 PolarHBondContact O-N 2.9Å; D238-N240 WeakPolarHBondContact OD1-CA 3.24Å; D238-N240 VanDerWaalsContact OD1-CB 3.3Å; D238-N240 WeakPolarHBondContact OD1-CB 3.29Å; D238-N240 PolarHBondContact OD1-N 3.14Å; D238-L241 HydrophobicContact CB-CB 3.91Å; D238-L241 PolarHBondContact O-N 2.84Å; D238-L241 PolarHBondContact OD1-N 3.49Å; D238-L241 WeakPolarHBondContact OD2-CB 3.42Å; D238-V242 WeakPolarHBondContact O-CG2 3.32Å; D238-V242 PolarHBondContact O-N 3.43Å; D238-V242 VanDerWaalsContact O-N 3.12Å
239P96.9Very high96.3Very high9 Ų946 Ų466%0.05825%0.25CC..Hα-helixtrans-65.5-27.5-179.930.3-38.9000113.3I213 R217 I221 I223 V237 M243I213-P239 HydrophobicContact CG2-CB 3.76Å; R217-P239 HydrophobicContact CB-CB 4Å; R217-P239 HydrophobicContact CB-CG 4.28Å; I221-P239 WeakPolarHBondContact O-CG 3.31Å; I223-P239 HydrophobicContact CG2-CB 3.94Å; V237-P239 VanDerWaalsContact O-CD 3.25Å; V237-P239 WeakPolarHBondContact O-CD 3.42Å; P239-M243 WeakPolarHBondContact O-CB 3.38Å; P239-M243 VanDerWaalsContact O-CG 3.3Å; P239-M243 WeakPolarHBondContact O-CG 3.48Å; P239-M243 PolarHBondContact O-N 3.4Å
240N96.7Very high96.3Very high81 Ų8146.1 Ų46.143%0.43325%0.251SS..Hα-helixtrans-71.5-44.9178.9-175.558.4000110.7R217 D238 M243 T244R217-N240 HydrophobicContact CG-CB 4.25Å; D238-N240 VanDerWaalsContact C-N 3.25Å; D238-N240 PolarHBondContact O-N 2.9Å; D238-N240 WeakPolarHBondContact OD1-CA 3.24Å; D238-N240 VanDerWaalsContact OD1-CB 3.3Å; D238-N240 WeakPolarHBondContact OD1-CB 3.29Å; D238-N240 PolarHBondContact OD1-N 3.14Å; N240-M243 PolarHBondContact O-N 2.89Å; N240-T244 WeakPolarHBondContact O-CB 3.17Å; N240-T244 WeakPolarHBondContact O-CG2 3.43Å; N240-T244 PolarHBondContact O-N 2.95Å; N240-T244 PolarHBondContact O-OG1 2.85Å
241L96.6Very high96.4Very high47 Ų4747.9 Ų47.925%0.24626%0.26CS..Hα-helixtrans-58.3-48.8174.1179.860.8000111.2D230 D238 M243 T244 K245 G246D230-L241 HydrophobicContact CB-CD2 3.75Å; D230-L241 HydrophobicContact CB-CG 4.18Å; D238-L241 HydrophobicContact CB-CB 3.91Å; D238-L241 PolarHBondContact O-N 2.84Å; D238-L241 PolarHBondContact OD1-N 3.49Å; D238-L241 WeakPolarHBondContact OD2-CB 3.42Å; L241-M243 VanDerWaalsContact C-N 3.34Å; L241-M243 PolarHBondContact O-N 3.33Å; L241-T244 PolarHBondContact O-N 3.11Å; L241-K245 HydrophobicContact CD1-CB 4.23Å; L241-K245 HydrophobicContact CD1-CD 4.16Å; L241-K245 PolarHBondContact O-N 3.13Å; L241-G246 PolarHBondContact O-N 3.38Å
242V97.2Very high96.5Very high2 Ų245.8 Ų45.81%0.01225%0.253CS..Hα-helixtrans-59.2-43.8179.1171.90000111.7I213 I223 D238 G246 G247I213-V242 HydrophobicContact CD1-CG1 3.69Å; I213-V242 HydrophobicContact CG2-CB 4.37Å; I213-V242 HydrophobicContact CG2-CG1 4.17Å; I223-V242 HydrophobicContact CD1-CG2 4.04Å; D238-V242 WeakPolarHBondContact O-CG2 3.32Å; D238-V242 PolarHBondContact O-N 3.43Å; D238-V242 VanDerWaalsContact O-N 3.12Å; V242-G246 CarbonylContact O-C 3.57Å; V242-G246 WeakPolarHBondContact O-CA 3.36Å; V242-G246 PolarHBondContact O-N 2.85Å; V242-G247 WeakPolarHBondContact CG1-O 3.44Å; V242-G247 PolarHBondContact O-N 2.99Å
243M94.3Very high96.6Very high47 Ų4741.7 Ų41.723%0.23223%0.232CC..Hα-helixtrans-74.1-30-177.8-79-157.573.600114.9I213 E214 R217 P239 N240 L241I213-M243 HydrophobicContact CG2-CG 3.8Å; E214-M243 WeakPolarHBondContact CA-SD 3.44Å; E214-M243 HydrophobicContact CB-CE 3.93Å; E214-M243 HydrophobicContact CB-SD 3.79Å; E214-M243 HydrophobicContact CG-CE 3.95Å; E214-M243 HydrophobicContact CG-SD 4.08Å; R217-M243 HydrophobicContact CB-SD 4.09Å; R217-M243 HydrophobicContact CG-SD 4.48Å; R217-M243 PolarHBondContact NE-SD 3.36Å; R217-M243 VanDerWaalsContact NE-SD 3.43Å; P239-M243 WeakPolarHBondContact O-CB 3.38Å; P239-M243 VanDerWaalsContact O-CG 3.3Å; P239-M243 WeakPolarHBondContact O-CG 3.48Å; P239-M243 PolarHBondContact O-N 3.4Å; N240-M243 PolarHBondContact O-N 2.89Å; L241-M243 VanDerWaalsContact C-N 3.34Å; L241-M243 PolarHBondContact O-N 3.33Å
244T93.4Very high96.6Very high78 Ų7843 Ų4348%0.47923%0.233SC..Hα-helixtrans-99.4-34.4-169.856.40000113.1N240 L241N240-T244 WeakPolarHBondContact O-CB 3.17Å; N240-T244 WeakPolarHBondContact O-CG2 3.43Å; N240-T244 PolarHBondContact O-N 2.95Å; N240-T244 PolarHBondContact O-OG1 2.85Å; L241-T244 PolarHBondContact O-N 3.11Å
245K93.8Very high96.6Very high147 Ų14740.2 Ų40.264%0.63922%0.223SC*.THydrogen-bonded Turntrans-129.6-22.6-175.3-53.6-177.3179176.70113.4T231 L241T231-K245 HydrophobicContact CG2-CB 3.44Å; T231-K245 VanDerWaalsContact CG2-CB 3.44Å; T231-K245 HydrophobicContact CG2-CD 4.46Å; T231-K245 VanDerWaalsContact CG2-O 3.27Å; T231-K245 WeakPolarHBondContact CG2-O 3.37Å; L241-K245 HydrophobicContact CD1-CB 4.23Å; L241-K245 HydrophobicContact CD1-CD 4.16Å; L241-K245 PolarHBondContact O-N 3.13Å
246G96.3Very high96.5Very high11 Ų1146 Ų4611%0.11325%0.247CC..  trans-98.5-144.9-177.400000113.8A229 L241 V242A229-G246 CarbonylContact O-C 3.43Å; A229-G246 WeakPolarHBondContact O-CA 3.49Å; L241-G246 PolarHBondContact O-N 3.38Å; V242-G246 CarbonylContact O-C 3.57Å; V242-G246 WeakPolarHBondContact O-CA 3.36Å; V242-G246 PolarHBondContact O-N 2.85Å
247G96.7Very high96.5Very high5 Ų549.7 Ų49.75%0.05227%0.266CS..EExtended strand (participates in β ladder)trans-178.5-169.4173.400000112.8G228 A229 V242G228-G247 CarbonylContact C-O 3.5Å; G228-G247 VanDerWaalsContact CA-O 3.26Å; G228-G247 WeakPolarHBondContact CA-O 3.35Å; A229-G247 PolarHBondContact N-O 3Å; A229-G247 PolarHBondContact O-N 3.49Å; V242-G247 WeakPolarHBondContact CG1-O 3.44Å; V242-G247 PolarHBondContact O-N 2.99Å
248L98.1Very high96.4Very high0 Ų048.9 Ų48.90%026%0.262CS..EExtended strand (participates in β ladder)trans-84.7150.1-172.3-62.1172000112.1L170 V171 F172 T183 V208 L210 I213L170-L248 HydrophobicContact CB-CD1 4.31Å; L170-L248 WeakPolarHBondContact O-CB 3.14Å; L170-L248 PolarHBondContact O-N 2.84Å; V171-L248 WeakPolarHBondContact CA-O 3.07Å; V171-L248 HydrophobicContact CG2-CB 4.02Å; V171-L248 HydrophobicContact CG2-CD1 4.42Å; F172-L248 PolarHBondContact N-O 2.92Å; T183-L248 HydrophobicContact CG2-CD1 3.4Å; V208-L248 HydrophobicContact CG1-CD2 3.98Å; L210-L248 HydrophobicContact CB-CD1 4.1Å; L210-L248 HydrophobicContact CD1-CD1 4.38Å; L210-L248 HydrophobicContact CD1-CD2 4.37Å; L210-L248 HydrophobicContact CD1-CG 4.38Å; I213-L248 HydrophobicContact CD1-CD2 3.28Å; I213-L248 HydrophobicContact CG1-CD2 4.18Å
249M98.1Very high96.4Very high19 Ų1945.7 Ų45.79%0.09425%0.245CC..PPolyproline II helixtrans-84.5152.3165.7-63.7-62.1-73.800110.5S206 A207 G226 W227 A229 T235 G253 E254S206-M249 CarbonylContact C-O 3.55Å; S206-M249 WeakPolarHBondContact CA-O 3.35Å; S206-M249 WeakPolarHBondContact CB-O 3.4Å; A207-M249 HydrophobicContact CB-CB 4.32Å; A207-M249 PolarHBondContact N-O 3.08Å; G226-M249 VanDerWaalsContact O-CB 3.25Å; G226-M249 WeakPolarHBondContact O-CB 3.48Å; G226-M249 WeakPolarHBondContact O-CG 3.42Å; W227-M249 PolarHBondContact O-N 3.33Å; A229-M249 HydrophobicContact CB-CG 4.41Å; A229-M249 HydrophobicContact CB-SD 3.65Å; T235-M249 HydrophobicContact CG2-CE 4.09Å; T235-M249 HydrophobicContact CG2-CG 4.27Å; T235-M249 HydrophobicContact CG2-SD 4.29Å; M249-G253 WeakPolarHBondContact CE-O 3.34Å; M249-E254 HydrophobicContact CE-CG 4.15Å
250P98.2Very high96.4Very high2 Ų250.7 Ų50.71%0.01326%0.264CS..BIsolated β-bridgetrans-65.9163.7172.729-34.7000111.3V171 A207 G252 G253 G259V171-P250 HydrophobicContact CG1-CB 4.19Å; A207-P250 WeakPolarHBondContact CB-O 3.26Å; A207-P250 VanDerWaalsContact N-C 3.32Å; A207-P250 PolarHBondContact N-O 2.94Å; P250-G252 PolarHBondContact O-N 3.04Å; P250-G253 WeakPolarHBondContact O-CA 3.26Å; P250-G253 PolarHBondContact O-N 2.65Å; P250-G259 VanDerWaalsContact CB-O 3.29Å; P250-G259 WeakPolarHBondContact CB-O 3.36Å; P250-G259 VanDerWaalsContact CG-O 3.24Å; P250-G259 WeakPolarHBondContact CG-O 3.33Å
251L98Very high96.5Very high69 Ų6952.7 Ų52.736%0.36127%0.269SS..THydrogen-bonded Turntrans-56127.5173.2172.767.2000110.4T205 G259 G262 L265T205-L251 VanDerWaalsContact O-CB 3.3Å; T205-L251 WeakPolarHBondContact O-CB 3.5Å; T205-L251 PolarHBondContact O-N 3.34Å; L251-G259 WeakPolarHBondContact O-CA 3.22Å; L251-G262 VanDerWaalsContact O-CA 3.26Å; L251-G262 WeakPolarHBondContact O-CA 3.41Å; L251-G262 PolarHBondContact O-N 2.91Å; L251-G262 VanDerWaalsContact O-N 3.15Å; L251-L265 HydrophobicContact CD2-CD1 4.25Å
252G97.1Very high96.6Very high30 Ų3050.5 Ų50.531%0.30926%0.257SS..THydrogen-bonded Turntrans99.3-16-167.200000113P250 E254 N257P250-G252 PolarHBondContact O-N 3.04Å; G252-E254 PolarHBondContact O-N 3.28Å; G252-N257 CarbonylContact C-O 3.29Å; G252-N257 VanDerWaalsContact CA-O 3.27Å; G252-N257 WeakPolarHBondContact CA-O 3.42Å; G252-N257 CarbonylContact O-C 3.57Å; G252-N257 WeakPolarHBondContact O-CB 3.32Å; G252-N257 VanDerWaalsContact O-O 3.08Å
253G96.3Very high96.6Very high6 Ų654.1 Ų54.16%0.06227%0.271CS..SBendtrans73.7-123.1176.400000112.3M249 P250 G259M249-G253 WeakPolarHBondContact CE-O 3.34Å; P250-G253 WeakPolarHBondContact O-CA 3.26Å; P250-G253 PolarHBondContact O-N 2.65Å; G253-G259 WeakPolarHBondContact O-CA 3.2Å
254E95.4Very high96.8Very high45 Ų4553.7 Ų53.721%0.2128%0.279CS..SBendtrans-65.4161.6175.8-65.5179.8132.900111.4K225 T235 M249 G252 E256 N257 G259K225-E254 WeakPolarHBondContact CE-OE2 3.45Å; K225-E254 IonicContact NZ-OE1 3.54Å; K225-E254 IonicContact NZ-OE2 2.59Å; K225-E254 PolarHBondContact NZ-OE2 3.45Å; T235-E254 VanDerWaalsContact CG2-CD 3.44Å; T235-E254 HydrophobicContact CG2-CG 3.36Å; T235-E254 WeakPolarHBondContact CG2-OE1 3.42Å; T235-E254 PolarHBondContact OG1-OE1 3.08Å; M249-E254 HydrophobicContact CE-CG 4.15Å; G252-E254 PolarHBondContact O-N 3.28Å; E254-E256 VanDerWaalsContact C-N 3.29Å; E254-E256 HydrophobicContact CB-CG 4Å; E254-E256 PolarHBondContact O-N 3.45Å; E254-N257 CarbonylContact O-C 3.6Å; E254-N257 PolarHBondContact O-N 2.9Å; E254-G259 PolarHBondContact O-N 3.47Å; E254-G259 VanDerWaalsContact O-N 3.08Å
255E95.1Very high97Very high78 Ų7852.7 Ų52.736%0.36427%0.271SS..G310 helixtrans-60.8-38.9-176.7-168.9-172154.100113T174 R175 N257 S258 Y260T174-E255 HydrophobicContact CG2-CB 4.02Å; T174-E255 HydrophobicContact CG2-CG 3.98Å; R175-E255 WeakPolarHBondContact CG-OE2 3.33Å; R175-E255 IonicContact CZ-OE1 3.54Å; R175-E255 IonicContact CZ-OE2 3.4Å; R175-E255 IonicContact NE-OE1 2.92Å; R175-E255 PolarHBondContact NE-OE1 3.17Å; R175-E255 IonicContact NE-OE2 3.61Å; R175-E255 PolarHBondContact NE-OE2 2.82Å; R175-E255 VanDerWaalsContact NH2-CD 3.3Å; R175-E255 IonicContact NH2-OE1 3.58Å; R175-E255 PolarHBondContact NH2-OE1 2.79Å; R175-E255 IonicContact NH2-OE2 2.9Å; R175-E255 PolarHBondContact NH2-OE2 2.79Å; E255-N257 PolarHBondContact O-N 3.06Å; E255-N257 VanDerWaalsContact O-N 3.15Å; E255-S258 WeakPolarHBondContact O-CA 3.49Å; E255-S258 PolarHBondContact O-N 3.11Å; E255-Y260 HydrophobicContact CG-CD1 4.04Å
256E95.8Very high97.2Very high151 Ų15145.8 Ų45.871%0.70624%0.241SC*.G310 helixtrans-56-29175.158.5176.9-15800112.7E254 S258E254-E256 VanDerWaalsContact C-N 3.29Å; E254-E256 HydrophobicContact CB-CG 4Å; E254-E256 PolarHBondContact O-N 3.45Å; E256-S258 VanDerWaalsContact C-N 3.32Å
257N96.2Very high97.2Very high98 Ų9848 Ų4852%0.52425%0.249SC..G310 helixtrans-98.623178.3-68.9-51.2000112G252 E254 E255 G259G252-N257 CarbonylContact C-O 3.29Å; G252-N257 VanDerWaalsContact CA-O 3.27Å; G252-N257 WeakPolarHBondContact CA-O 3.42Å; G252-N257 CarbonylContact O-C 3.57Å; G252-N257 WeakPolarHBondContact O-CB 3.32Å; G252-N257 VanDerWaalsContact O-O 3.08Å; E254-N257 CarbonylContact O-C 3.6Å; E254-N257 PolarHBondContact O-N 2.9Å; E255-N257 PolarHBondContact O-N 3.06Å; E255-N257 VanDerWaalsContact O-N 3.15Å; N257-G259 PolarHBondContact O-N 3.32Å
258S97.3Very high97.2Very high35 Ų3551.2 Ų51.225%0.24527%0.265CS..THydrogen-bonded Turntrans64.130.1178.9-550000115.4E255 E256 Y260 K261E255-S258 WeakPolarHBondContact O-CA 3.49Å; E255-S258 PolarHBondContact O-N 3.11Å; E256-S258 VanDerWaalsContact C-N 3.32Å; S258-Y260 PolarHBondContact O-N 3.14Å; S258-K261 WeakPolarHBondContact O-CB 3.19Å; S258-K261 PolarHBondContact O-N 3.11Å
259G97Very high97.1Very high0 Ų051.2 Ų51.20%027%0.265CS..Hα-helixtrans-51.1-27.7175.500000114.8T174 P250 L251 G253 E254 N257 K261 G262 Y263T174-G259 PolarHBondContact OG1-O 2.99Å; P250-G259 VanDerWaalsContact CB-O 3.29Å; P250-G259 WeakPolarHBondContact CB-O 3.36Å; P250-G259 VanDerWaalsContact CG-O 3.24Å; P250-G259 WeakPolarHBondContact CG-O 3.33Å; L251-G259 WeakPolarHBondContact O-CA 3.22Å; G253-G259 WeakPolarHBondContact O-CA 3.2Å; E254-G259 PolarHBondContact O-N 3.47Å; E254-G259 VanDerWaalsContact O-N 3.08Å; N257-G259 PolarHBondContact O-N 3.32Å; G259-K261 PolarHBondContact O-N 3Å; G259-G262 PolarHBondContact O-N 2.7Å; G259-Y263 PolarHBondContact O-N 2.94Å
260Y97.5Very high96.9Very high113 Ų11350.6 Ų50.644%0.44326%0.261SS..Hα-helixtrans-61.5-25.2175.659.9-95.7000113.4T174 E255 S258 G264T174-Y260 VanDerWaalsContact OG1-CA 3.27Å; T174-Y260 WeakPolarHBondContact OG1-CA 3.4Å; T174-Y260 PolarHBondContact OG1-N 3.35Å; E255-Y260 HydrophobicContact CG-CD1 4.04Å; S258-Y260 PolarHBondContact O-N 3.14Å; Y260-G264 PolarHBondContact O-N 3.14Å
261K98.4Very high96.5Very high124 Ų12454.1 Ų54.154%0.53928%0.279SS..Hα-helixtrans-70-46174.4-62.7-178.6-177.2170.80110.8S258 G259 Y263 G264 L265S258-K261 WeakPolarHBondContact O-CB 3.19Å; S258-K261 PolarHBondContact O-N 3.11Å; G259-K261 PolarHBondContact O-N 3Å; K261-Y263 VanDerWaalsContact C-N 3.31Å; K261-Y263 PolarHBondContact O-N 3.39Å; K261-G264 PolarHBondContact O-N 3.49Å; K261-L265 WeakPolarHBondContact O-CG 3.4Å; K261-L265 PolarHBondContact O-N 2.93Å
262G98Very high96.2Very high1 Ų151.9 Ų51.91%0.0127%0.268CS..Hα-helixtrans-62.2-39.8174.200000112.7L251 G259 L265 G266L251-G262 VanDerWaalsContact O-CA 3.26Å; L251-G262 WeakPolarHBondContact O-CA 3.41Å; L251-G262 PolarHBondContact O-N 2.91Å; L251-G262 VanDerWaalsContact O-N 3.15Å; G259-G262 PolarHBondContact O-N 2.7Å; G262-L265 PolarHBondContact O-N 3.36Å; G262-G266 PolarHBondContact O-N 3.29Å
263Y97.9Very high95.8Very high77 Ų7750.4 Ų50.430%0.30225%0.253SS..Hα-helixtrans-61.1-45.9173.1171.2-133.6000111.5P173 V181 G259 K261 L265 G266 M267P173-Y263 HydrophobicContact CB-CD2 4.03Å; P173-Y263 HydrophobicContact CB-CE1 4.19Å; P173-Y263 HydrophobicContact CB-CE2 3.61Å; P173-Y263 HydrophobicContact CB-CG 4.48Å; P173-Y263 HydrophobicContact CG-CE2 4Å; V181-Y263 HydrophobicContact CG2-CD2 4.15Å; V181-Y263 HydrophobicContact CG2-CE2 3.86Å; G259-Y263 PolarHBondContact O-N 2.94Å; K261-Y263 VanDerWaalsContact C-N 3.31Å; K261-Y263 PolarHBondContact O-N 3.39Å; Y263-L265 VanDerWaalsContact C-N 3.33Å; Y263-L265 PolarHBondContact O-N 3.33Å; Y263-G266 PolarHBondContact O-N 3.43Å; Y263-G266 VanDerWaalsContact O-N 3.15Å; Y263-M267 HydrophobicContact CD2-CG 3.82Å; Y263-M267 HydrophobicContact CE2-CG 3.24Å; Y263-M267 HydrophobicContact CE2-SD 3.69Å; Y263-M267 PolarHBondContact O-N 3.35Å
264G98.1Very high95.1Very high39 Ų3950.2 Ų50.240%0.40225%0.251SS..Hα-helixtrans-57.4-43.3174.900000113Y260 K261 M267 L268Y260-G264 PolarHBondContact O-N 3.14Å; K261-G264 PolarHBondContact O-N 3.49Å; G264-M267 PolarHBondContact O-N 3.02Å; G264-L268 PolarHBondContact O-N 2.94Å
265L98.2Very high94.4Very high57 Ų5752.3 Ų52.330%0.29826%0.262SS..Hα-helixtrans-64.3-41.4174.6-66.9174.2000112.1I186 M203 T205 L251 K261 G262 Y263 M267 L268 V269I186-L265 HydrophobicContact CD1-CB 3.94Å; I186-L265 HydrophobicContact CD1-CD2 3.96Å; I186-L265 HydrophobicContact CD1-CG 4.4Å; M203-L265 HydrophobicContact CE-CD1 4.34Å; T205-L265 HydrophobicContact CG2-CB 3.52Å; L251-L265 HydrophobicContact CD2-CD1 4.25Å; K261-L265 WeakPolarHBondContact O-CG 3.4Å; K261-L265 PolarHBondContact O-N 2.93Å; G262-L265 PolarHBondContact O-N 3.36Å; Y263-L265 VanDerWaalsContact C-N 3.33Å; Y263-L265 PolarHBondContact O-N 3.33Å; L265-M267 VanDerWaalsContact C-N 3.32Å; L265-M267 PolarHBondContact O-N 3.39Å; L265-L268 WeakPolarHBondContact O-CB 3.3Å; L265-L268 PolarHBondContact O-N 2.98Å; L265-V269 WeakPolarHBondContact O-CG2 2.93Å; L265-V269 PolarHBondContact O-N 2.98Å; L265-V269 VanDerWaalsContact O-N 3.17Å
266G97.5Very high93.7Very high1 Ų153.4 Ų53.41%0.0127%0.27CS..Hα-helixtrans-62.7-38.3175.900000112.7N184 T205 G262 Y263 V269 E270N184-G266 PolarHBondContact ND2-O 3.12Å; T205-G266 WeakPolarHBondContact OG1-CA 3.5Å; G262-G266 PolarHBondContact O-N 3.29Å; Y263-G266 PolarHBondContact O-N 3.43Å; Y263-G266 VanDerWaalsContact O-N 3.15Å; G266-V269 PolarHBondContact O-N 3.43Å; G266-E270 PolarHBondContact O-N 3.09Å
267M96.4Very high92.6Very high59 Ų5946.2 Ų46.229%0.29124%0.236SC..Hα-helixtrans-69.8-37.5174.5-74.8-57.9-57.200113V181 Y263 G264 L265 V269 E270 I271V181-M267 HydrophobicContact CG2-SD 3.88Å; Y263-M267 HydrophobicContact CD2-CG 3.82Å; Y263-M267 HydrophobicContact CE2-CG 3.24Å; Y263-M267 HydrophobicContact CE2-SD 3.69Å; Y263-M267 PolarHBondContact O-N 3.35Å; G264-M267 PolarHBondContact O-N 3.02Å; L265-M267 VanDerWaalsContact C-N 3.32Å; L265-M267 PolarHBondContact O-N 3.39Å; M267-V269 PolarHBondContact O-N 2.93Å; M267-E270 PolarHBondContact O-N 2.72Å; M267-E270 HydrophobicContact SD-CG 4.49Å; M267-I271 WeakPolarHBondContact O-CG1 3.33Å; M267-I271 PolarHBondContact O-N 3.14Å
268L96.2Very high91.9Very high72 Ų7248.9 Ų48.938%0.37725%0.251SS..Hα-helixtrans-54.6-45.3171.7175.7154.8000110.1F164 G264 L265 I271 L272F164-L268 HydrophobicContact CE1-CD2 4.27Å; G264-L268 PolarHBondContact O-N 2.94Å; L265-L268 WeakPolarHBondContact O-CB 3.3Å; L265-L268 PolarHBondContact O-N 2.98Å; L268-I271 PolarHBondContact O-N 3Å; L268-L272 HydrophobicContact CD2-CD1 3.61Å; L268-L272 HydrophobicContact CD2-CG 4.35Å; L268-L272 HydrophobicContact CG-CD1 4.34Å; L268-L272 WeakPolarHBondContact O-CG 3.03Å; L268-L272 PolarHBondContact O-N 3.48Å
269V96.3Very high90.8Very high0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-68-40177.21760000112.1F164 T165 N184 I186 L265 G266 M267 I271 L272 C273F164-V269 HydrophobicContact CB-CG1 4.33Å; F164-V269 HydrophobicContact CD1-CG2 3.99Å; T165-V269 WeakPolarHBondContact O-CG1 2.95Å; N184-V269 HydrophobicContact CB-CB 3.81Å; N184-V269 HydrophobicContact CB-CG1 3.66Å; N184-V269 HydrophobicContact CB-CG2 4.4Å; I186-V269 HydrophobicContact CD1-CG2 4.02Å; I186-V269 HydrophobicContact CG1-CG2 3.52Å; L265-V269 WeakPolarHBondContact O-CG2 2.93Å; L265-V269 PolarHBondContact O-N 2.98Å; L265-V269 VanDerWaalsContact O-N 3.17Å; G266-V269 PolarHBondContact O-N 3.43Å; M267-V269 PolarHBondContact O-N 2.93Å; V269-I271 VanDerWaalsContact C-N 3.28Å; V269-I271 PolarHBondContact O-N 3.17Å; V269-L272 PolarHBondContact O-N 3.32Å; V269-C273 WeakPolarHBondContact O-CB 3.33Å; V269-C273 PolarHBondContact O-N 3.19Å; V269-C273 PolarHBondContact O-SG 3.43Å; V269-C273 VanDerWaalsContact O-SG 3.35Å
270E92.9Very high90.1Very high5 Ų548.6 Ų48.62%0.02325%0.25CS..Iπ-helixtrans-59.5-37.5172.1-74.8-58.6155.600112.3N166 V181 N184 G266 M267 G274 I275 F281 G282N166-E270 PolarHBondContact ND2-OE2 3.42Å; V181-E270 HydrophobicContact CG1-CG 4.13Å; N184-E270 WeakPolarHBondContact ND2-CG 3.39Å; N184-E270 PolarHBondContact ND2-OE1 2.86Å; G266-E270 PolarHBondContact O-N 3.09Å; M267-E270 PolarHBondContact O-N 2.72Å; M267-E270 HydrophobicContact SD-CG 4.49Å; E270-G274 WeakPolarHBondContact O-CA 3.21Å; E270-G274 PolarHBondContact O-N 3.43Å; E270-I275 PolarHBondContact O-N 3.29Å; E270-F281 WeakPolarHBondContact OE2-CA 3.18Å; E270-F281 VanDerWaalsContact OE2-CB 3.31Å; E270-F281 WeakPolarHBondContact OE2-CB 3.28Å; E270-G282 PolarHBondContact OE2-N 3.11Å; E270-G282 VanDerWaalsContact OE2-N 3.11Å
271I91.9Very high89.4Confident76 Ų7647.5 Ų47.539%0.3925%0.248SC..Iπ-helixtrans-69.9-49.3179.1-68.8161.1000110.1M267 L268 V269 C273 I275 I276M267-I271 WeakPolarHBondContact O-CG1 3.33Å; M267-I271 PolarHBondContact O-N 3.14Å; L268-I271 PolarHBondContact O-N 3Å; V269-I271 VanDerWaalsContact C-N 3.28Å; V269-I271 PolarHBondContact O-N 3.17Å; I271-C273 PolarHBondContact O-N 3.01Å; I271-I275 HydrophobicContact CG1-CD1 4.02Å; I271-I275 PolarHBondContact O-N 3.06Å; I271-I276 HydrophobicContact CG2-CD1 4.3Å; I271-I276 HydrophobicContact CG2-CG1 4.36Å; I271-I276 WeakPolarHBondContact O-CG1 3.28Å; I271-I276 PolarHBondContact O-N 3.38Å
272L90.8Very high88.9Confident22 Ų2241.8 Ų41.812%0.11522%0.224CC..Iπ-helixtrans-65.7-39.5-178-68.6-178.3000112F164 L268 V269 I276 S300F164-L272 HydrophobicContact CD2-CD1 4.22Å; F164-L272 HydrophobicContact CE2-CD1 4.2Å; F164-L272 HydrophobicContact CG-CD1 4.46Å; F164-L272 HydrophobicContact CZ-CD1 4.33Å; L268-L272 HydrophobicContact CD2-CD1 3.61Å; L268-L272 HydrophobicContact CD2-CG 4.35Å; L268-L272 HydrophobicContact CG-CD1 4.34Å; L268-L272 WeakPolarHBondContact O-CG 3.03Å; L268-L272 PolarHBondContact O-N 3.48Å; V269-L272 PolarHBondContact O-N 3.32Å; L272-I276 HydrophobicContact CD2-CD1 3.88Å; L272-S300 WeakPolarHBondContact O-CB 3.23Å; L272-S300 PolarHBondContact O-OG 3.38Å
273C88.5Confident88.2Confident0 Ų045.9 Ų45.90%025%0.251CS..Iπ-helixtrans-96.4-42.5-174.7-57.80000111.8N166 V269 I271 A277 R298N166-C273 HydrophobicContact CB-CB 3.99Å; V269-C273 WeakPolarHBondContact O-CB 3.33Å; V269-C273 PolarHBondContact O-N 3.19Å; V269-C273 PolarHBondContact O-SG 3.43Å; V269-C273 VanDerWaalsContact O-SG 3.35Å; I271-C273 PolarHBondContact O-N 3.01Å; C273-A277 WeakPolarHBondContact O-CB 3.33Å; C273-R298 HydrophobicContact CB-CB 3.91Å; C273-R298 HydrophobicContact CB-CG 4.23Å; C273-R298 WeakPolarHBondContact CB-O 3.41Å; C273-R298 WeakPolarHBondContact O-CB 3.35Å; C273-R298 WeakPolarHBondContact O-CD 3.49Å; C273-R298 WeakPolarHBondContact O-CG 3.03Å
274G81.4Confident87.6Confident1 Ų146.6 Ų46.61%0.0126%0.26CS..Iπ-helixtrans-82.7-54.3-179.700000114.3E270 A277 A279E270-G274 WeakPolarHBondContact O-CA 3.21Å; E270-G274 PolarHBondContact O-N 3.43Å; G274-A277 VanDerWaalsContact O-CA 3.27Å; G274-A277 WeakPolarHBondContact O-CA 3.35Å; G274-A279 PolarHBondContact O-N 3.18Å
275I81.6Confident86.9Confident90 Ų9045 Ų4546%0.46224%0.242SC..Iπ-helixtrans-92.6-42.2-158.1-61.3174.9000114.4E270 I271 A277 F281E270-I275 PolarHBondContact O-N 3.29Å; I271-I275 HydrophobicContact CG1-CD1 4.02Å; I271-I275 PolarHBondContact O-N 3.06Å; I275-A277 PolarHBondContact O-N 3.32Å; I275-F281 HydrophobicContact CG1-CD1 4.17Å; I275-F281 HydrophobicContact CG1-CD2 4.47Å; I275-F281 HydrophobicContact CG1-CE1 4.41Å; I275-F281 HydrophobicContact CG1-CG 4.2Å
276I79Confident86.3Confident100 Ų10043.3 Ų43.351%0.51323%0.232SC..THydrogen-bonded Turntrans-60.30.4167.5-65.8178.3000111.5I271 L272I271-I276 HydrophobicContact CG2-CD1 4.3Å; I271-I276 HydrophobicContact CG2-CG1 4.36Å; I271-I276 WeakPolarHBondContact O-CG1 3.28Å; I271-I276 PolarHBondContact O-N 3.38Å; L272-I276 HydrophobicContact CD2-CD1 3.88Å
277A73.6Confident85.7Confident1 Ų152.9 Ų52.91%0.00827%0.268CS..THydrogen-bonded Turntrans-100.9-39.7-130.800000112.4C273 G274 I275 A279 R298C273-A277 WeakPolarHBondContact O-CB 3.33Å; G274-A277 VanDerWaalsContact O-CA 3.27Å; G274-A277 WeakPolarHBondContact O-CA 3.35Å; I275-A277 PolarHBondContact O-N 3.32Å; A277-A279 PolarHBondContact O-N 2.89Å; A277-R298 VanDerWaalsContact CA-CZ 3.41Å; A277-R298 HydrophobicContact CB-CG 4.1Å; A277-R298 PolarHBondContact O-NE 3.21Å; A277-R298 PolarHBondContact O-NH2 2.64Å
278D80.5Confident85.1Confident154 Ų15452.7 Ų52.782%0.82426%0.263SS*.THydrogen-bonded Turntrans37.443-144.7-150.329000114.4
279A76.1Confident84.4Confident11 Ų1154.1 Ų54.19%0.09127%0.271CS..SBendtrans-117.4172.9178.200000112.2F139 G274 A277 R298F139-A279 HydrophobicContact CB-CB 4.06Å; G274-A279 PolarHBondContact O-N 3.18Å; A277-A279 PolarHBondContact O-N 2.89Å; A279-R298 HydrophobicContact CB-CB 3.99Å; A279-R298 HydrophobicContact CB-CG 4.36Å
280A81.3Confident83.7Confident18 Ų1855.6 Ų55.615%0.14928%0.282CS..  trans-67.2141.5174.500000110.6N166 I285 N296N166-A280 PolarHBondContact ND2-O 2.97Å; A280-I285 HydrophobicContact CB-CG1 3.79Å; A280-N296 HydrophobicContact CB-CB 4.23Å; A280-N296 PolarHBondContact N-ND2 2.85Å; A280-N296 PolarHBondContact N-O 3.48Å
281F83.7Confident83.2Confident89 Ų8957.2 Ų57.239%0.3929%0.292SS..  trans-139.1151.9179.862.9-94000111.9E270 I275 N284E270-F281 WeakPolarHBondContact OE2-CA 3.18Å; E270-F281 VanDerWaalsContact OE2-CB 3.31Å; E270-F281 WeakPolarHBondContact OE2-CB 3.28Å; I275-F281 HydrophobicContact CG1-CD1 4.17Å; I275-F281 HydrophobicContact CG1-CD2 4.47Å; I275-F281 HydrophobicContact CG1-CE1 4.41Å; I275-F281 HydrophobicContact CG1-CG 4.2Å; F281-N284 WeakPolarHBondContact O-CB 3.43Å; F281-N284 PolarHBondContact O-N 3.3Å; F281-N284 VanDerWaalsContact O-N 3.11Å; F281-N284 PolarHBondContact O-ND2 2.79Å
282G86.2Confident82.7Confident4 Ų459.1 Ų59.14%0.04130%0.303CS..G310 helixtrans45.1-124.8179.500000114.7A180 E270 N284 I285A180-G282 CarbonylContact O-C 3.55Å; A180-G282 WeakPolarHBondContact O-CA 3.27Å; E270-G282 PolarHBondContact OE2-N 3.11Å; E270-G282 VanDerWaalsContact OE2-N 3.11Å; G282-N284 PolarHBondContact O-N 3.03Å; G282-N284 VanDerWaalsContact O-N 3.11Å; G282-I285 PolarHBondContact O-N 3.4Å
283P84.6Confident82.2Confident88 Ų8862.4 Ų62.457%0.57132%0.316SS*.G310 helixtrans-68.3-9.4-17530-35.9000114.5
284N85.3Confident81.7Confident92 Ų9266 Ų6649%0.49234%0.339SS..G310 helixtrans-83.9-18.3-179.3-59.3-51.6000112.8F281 G282 K293F281-N284 WeakPolarHBondContact O-CB 3.43Å; F281-N284 PolarHBondContact O-N 3.3Å; F281-N284 VanDerWaalsContact O-N 3.11Å; F281-N284 PolarHBondContact O-ND2 2.79Å; G282-N284 PolarHBondContact O-N 3.03Å; G282-N284 VanDerWaalsContact O-N 3.11Å; N284-K293 PolarHBondContact O-NZ 3.35Å; N284-K293 VanDerWaalsContact O-NZ 3.09Å
285I82.5Confident81.2Confident6 Ų666.1 Ų66.13%0.03134%0.34CS..SBendtrans-68.5143.8174.3-57.5170.1000109.3N166 T167 A280 G282 L297N166-I285 HydrophobicContact CB-CD1 4.48Å; T167-I285 WeakPolarHBondContact O-CD1 2.89Å; A280-I285 HydrophobicContact CB-CG1 3.79Å; G282-I285 PolarHBondContact O-N 3.4Å; I285-L297 HydrophobicContact CD1-CD2 4.12Å; I285-L297 HydrophobicContact CG1-CD2 4.44Å; I285-L297 HydrophobicContact CG2-CD2 3.4Å
286R85.8Confident81Confident20 Ų2064.4 Ų64.48%0.07533%0.332CS..PPolyproline II helixtrans-56.9155.4174.980.8-179.4-176.5-173.72.6111.5D82 S168 S290 K293 A295D82-R286 IonicContact OD1-NH2 3.81Å; D82-R286 IonicContact OD2-NH2 3.53Å; D82-R286 PolarHBondContact OD2-NH2 3.36Å; S168-R286 WeakPolarHBondContact CB-O 3.25Å; S168-R286 PolarHBondContact OG-O 3.46Å; R286-S290 WeakPolarHBondContact CD-O 3.07Å; R286-S290 PolarHBondContact NE-O 3.29Å; R286-K293 HydrophobicContact CB-CD 4.47Å; R286-K293 HydrophobicContact CB-CG 3.9Å; R286-K293 WeakPolarHBondContact CD-O 3.4Å; R286-K293 PolarHBondContact NH1-O 3.36Å; R286-A295 HydrophobicContact CG-CB 4.12Å
287R84.2Confident80.4Confident203 Ų20360 Ų6077%0.76631%0.309SS*.PPolyproline II helixtrans-68.5150.4178.2-71.6-174.2176.2-170.4-0.5110.7L289 S290R287-L289 PolarHBondContact O-N 3.09Å; R287-S290 PolarHBondContact N-OG 3.01Å; R287-S290 PolarHBondContact O-N 3.24Å; R287-S290 PolarHBondContact O-OG 3.29Å
288W84.1Confident80.2Confident54 Ų5460 Ų6021%0.20531%0.309CS..THydrogen-bonded Turntrans-58.6134.3176.4-176.9-115.6000110.2M78 H143 S168 L170 L210 S290M78-W288 HydrophobicContact CE-CH2 3.99Å; M78-W288 HydrophobicContact SD-CH2 3.53Å; M78-W288 VanDerWaalsContact SD-CH2 3.53Å; M78-W288 HydrophobicContact SD-CZ2 3.61Å; M78-W288 HydrophobicContact SD-CZ3 4.3Å; H143-W288 HydrophobicContact CB-CH2 4.48Å; H143-W288 HydrophobicContact CB-CZ3 4.31Å; H143-W288 AromaticContact CD2-CH2 3.48Å; H143-W288 VanDerWaalsContact CD2-CH2 3.48Å; H143-W288 WeakPolarHBondContact CD2-CH2 3.43Å; H143-W288 AromaticContact CD2-CZ3 3.62Å; H143-W288 AromaticContact CG-CH2 3.94Å; H143-W288 AromaticContact NE2-CH2 3.84Å; S168-W288 PolarHBondContact OG-N 3.35Å; L170-W288 HydrophobicContact CD2-CB 4.07Å; L210-W288 HydrophobicContact CD2-CG 4.37Å; W288-S290 PolarHBondContact O-N 3.12Å
289L82.2Confident79.1Confident103 Ų10352.7 Ų52.754%0.53927%0.27SS..THydrogen-bonded Turntrans64.40.6-174-53.3172.4000116.4M78 R287M78-L289 HydrophobicContact CG-CD2 3.86Å; M78-L289 HydrophobicContact SD-CD2 3.79Å; R287-L289 PolarHBondContact O-N 3.09Å
290S82.5Confident78Confident31 Ų3152.1 Ų52.122%0.21727%0.266CS..  trans-80.6145.6172.282.70000111R286 R287 W288 D292R286-S290 WeakPolarHBondContact CD-O 3.07Å; R286-S290 PolarHBondContact NE-O 3.29Å; R287-S290 PolarHBondContact N-OG 3.01Å; R287-S290 PolarHBondContact O-N 3.24Å; R287-S290 PolarHBondContact O-OG 3.29Å; W288-S290 PolarHBondContact O-N 3.12Å; S290-D292 VanDerWaalsContact CB-OD1 3.25Å; S290-D292 WeakPolarHBondContact CB-OD1 3.45Å; S290-D292 PolarHBondContact OG-OD1 3Å
291T81.7Confident76.6Confident38 Ų3851.3 Ų51.323%0.23326%0.259CS..  trans-127.128.1-175.9590000111.2D82 K85 V87D82-T291 WeakPolarHBondContact OD1-CG2 3.25Å; K85-T291 HydrophobicContact CD-CG2 3.63Å; K85-T291 VanDerWaalsContact CD-OG1 3.23Å; K85-T291 WeakPolarHBondContact CD-OG1 3.34Å; K85-T291 PolarHBondContact NZ-OG1 3.47Å; V87-T291 WeakPolarHBondContact CG1-O 2.94Å; V87-T291 HydrophobicContact CG2-CG2 4.12Å
292D80.1Confident74.4Confident117 Ų11751 Ų5163%0.62626%0.256SS*.SBendtrans-79.7-24-178.958.3-52.4000112.9S290S290-D292 VanDerWaalsContact CB-OD1 3.25Å; S290-D292 WeakPolarHBondContact CB-OD1 3.45Å; S290-D292 PolarHBondContact OG-OD1 3Å
293K82.1Confident72.4Confident91 Ų9153 Ų5340%0.39627%0.266SS..SBendtrans-154.2164.5176.861.6180-175.7170.80110.8N284 R286N284-K293 PolarHBondContact O-NZ 3.35Å; N284-K293 VanDerWaalsContact O-NZ 3.09Å; R286-K293 HydrophobicContact CB-CD 4.47Å; R286-K293 HydrophobicContact CB-CG 3.9Å; R286-K293 WeakPolarHBondContact CD-O 3.4Å; R286-K293 PolarHBondContact NH1-O 3.36Å
294P77.7Confident69.8Low75 Ų7556 Ų5649%0.48727%0.272SS..  trans-55.8147168.5-25.635.8000111.8
295A70Confident67Low4 Ų454.8 Ų54.83%0.03328%0.281CS..  trans-70.5-40.7-179.400000112.3R286 L297R286-A295 HydrophobicContact CG-CB 4.12Å; A295-L297 VanDerWaalsContact C-N 3.3Å; A295-L297 HydrophobicContact CB-CD1 4.4Å; A295-L297 HydrophobicContact CB-CD2 4.38Å; A295-L297 HydrophobicContact CB-CG 3.8Å; A295-L297 PolarHBondContact O-N 3.01Å
296N77.6Confident64.5Low54 Ų5459.2 Ų59.229%0.28931%0.312SS..  trans51.446.7-172.2-165.126.7000112.7G140 A280G140-N296 WeakPolarHBondContact CA-OD1 3.31Å; G140-N296 PolarHBondContact N-OD1 3.31Å; G140-N296 VanDerWaalsContact N-OD1 3.07Å; A280-N296 HydrophobicContact CB-CB 4.23Å; A280-N296 PolarHBondContact N-ND2 2.85Å; A280-N296 PolarHBondContact N-O 3.48Å
297L66.6Low61.8Low6 Ų670 Ų703%0.03137%0.369CS..EExtended strand (participates in β ladder)trans-76.1165.9174.9-60.2-174.5000110.8S141 I285 A295S141-L297 WeakPolarHBondContact CA-O 3.46Å; S141-L297 VanDerWaalsContact CB-O 3.26Å; S141-L297 WeakPolarHBondContact CB-O 2.88Å; S141-L297 PolarHBondContact N-O 3.41Å; S141-L297 PolarHBondContact O-N 3.48Å; I285-L297 HydrophobicContact CD1-CD2 4.12Å; I285-L297 HydrophobicContact CG1-CD2 4.44Å; I285-L297 HydrophobicContact CG2-CD2 3.4Å; A295-L297 VanDerWaalsContact C-N 3.3Å; A295-L297 HydrophobicContact CB-CD1 4.4Å; A295-L297 HydrophobicContact CB-CD2 4.38Å; A295-L297 HydrophobicContact CB-CG 3.8Å; A295-L297 PolarHBondContact O-N 3.01Å
298R68.7Low60.7Low1 Ų163.4 Ų63.40%0.00435%0.349CS..EExtended strand (participates in β ladder)trans-137.4144.4-177.6-165.5119.2-171.7-37.922.8113.8A137 A138 T165 N166 C273 A277 A279 S300A137-R298 VanDerWaalsContact C-NH1 3.33Å; A137-R298 VanDerWaalsContact CA-NH1 3.3Å; A138-R298 VanDerWaalsContact C-CD 3.48Å; A138-R298 VanDerWaalsContact C-NE 3.27Å; A138-R298 VanDerWaalsContact N-NH1 3.2Å; A138-R298 VanDerWaalsContact O-CA 3.25Å; A138-R298 WeakPolarHBondContact O-CA 3.3Å; A138-R298 WeakPolarHBondContact O-CD 3.14Å; A138-R298 WeakPolarHBondContact O-CG 3.13Å; A138-R298 PolarHBondContact O-NE 3.15Å; T165-R298 WeakPolarHBondContact CA-O 3.37Å; T165-R298 PolarHBondContact OG1-O 2.85Å; N166-R298 PolarHBondContact N-O 3.24Å; N166-R298 PolarHBondContact OD1-N 2.87Å; N166-R298 PolarHBondContact OD1-O 3.28Å; C273-R298 HydrophobicContact CB-CB 3.91Å; C273-R298 HydrophobicContact CB-CG 4.23Å; C273-R298 WeakPolarHBondContact CB-O 3.41Å; C273-R298 WeakPolarHBondContact O-CB 3.35Å; C273-R298 WeakPolarHBondContact O-CD 3.49Å; C273-R298 WeakPolarHBondContact O-CG 3.03Å; A277-R298 VanDerWaalsContact CA-CZ 3.41Å; A277-R298 HydrophobicContact CB-CG 4.1Å; A277-R298 PolarHBondContact O-NE 3.21Å; A277-R298 PolarHBondContact O-NH2 2.64Å; A279-R298 HydrophobicContact CB-CB 3.99Å; A279-R298 HydrophobicContact CB-CG 4.36Å; R298-S300 PolarHBondContact NH1-OG 3.01Å
299T58.8Low59.4Low1 Ų163.8 Ų63.81%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-111.4137.1168.3-54.90000110.1A138 F144 F164A138-T299 PolarHBondContact N-O 3.38Å; A138-T299 PolarHBondContact O-N 3.23Å; F144-T299 HydrophobicContact CD2-CG2 4.11Å; F144-T299 VanDerWaalsContact CD2-OG1 3.22Å; F144-T299 WeakPolarHBondContact CD2-OG1 3.42Å; F144-T299 HydrophobicContact CE2-CG2 3.79Å; F164-T299 CarbonylContact O-C 3.57Å; F164-T299 WeakPolarHBondContact O-CA 3.42Å; F164-T299 VanDerWaalsContact O-CG2 3.29Å; F164-T299 WeakPolarHBondContact O-CG2 3.23Å
300S52Low58.2Low0 Ų061.7 Ų61.70%035%0.346CS..EExtended strand (participates in β ladder)trans-130.3157.5172.8-70.50000110.7V136 F164 L272 R298V136-S300 WeakPolarHBondContact O-CA 3.35Å; F164-S300 VanDerWaalsContact CD2-O 3.23Å; F164-S300 WeakPolarHBondContact CD2-O 3.25Å; F164-S300 PolarHBondContact N-O 3.04Å; F164-S300 PolarHBondContact O-N 2.7Å; L272-S300 WeakPolarHBondContact O-CB 3.23Å; L272-S300 PolarHBondContact O-OG 3.38Å; R298-S300 PolarHBondContact NH1-OG 3.01Å
301I52.2Low56.7Low1 Ų163.5 Ų63.51%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-144103.3-165.5-86.7169.5000104.5M1 M121 A124 F135 V136 L162M1-I301 HydrophobicContact CB-CG2 4.06Å; M121-I301 HydrophobicContact CB-CD1 4.19Å; M121-I301 HydrophobicContact CE-CD1 3.53Å; M121-I301 HydrophobicContact CE-CG1 3.74Å; M121-I301 HydrophobicContact SD-CD1 4.06Å; A124-I301 HydrophobicContact CB-CG2 3.5Å; A124-I301 VanDerWaalsContact CB-CG2 3.5Å; F135-I301 WeakPolarHBondContact CA-O 3.43Å; F135-I301 WeakPolarHBondContact CD2-O 3.4Å; F135-I301 VanDerWaalsContact CG-O 3.24Å; F135-I301 WeakPolarHBondContact CG-O 3.35Å; V136-I301 HydrophobicContact CB-CG2 4.12Å; V136-I301 PolarHBondContact N-O 3Å; V136-I301 WeakPolarHBondContact O-CB 3.3Å; V136-I301 PolarHBondContact O-N 3Å; L162-I301 WeakPolarHBondContact O-CG1 3.46Å
302Y36.8Very low55.2Low82 Ų8265.1 Ų65.132%0.32236%0.362SS..  trans-129.7148.9-169.7176.6-92.6000120.1M1 F135 E304M1-Y302 WeakPolarHBondContact CB-O 3.29Å; M1-Y302 VanDerWaalsContact CE-C 3.49Å; M1-Y302 WeakPolarHBondContact CE-O 2.73Å; M1-Y302 VanDerWaalsContact CG-O 3.31Å; M1-Y302 WeakPolarHBondContact CG-O 3.29Å; F135-Y302 AromaticContact CD2-CD2 3.71Å; F135-Y302 HydrophobicContact CD2-CD2 3.71Å; F135-Y302 HydrophobicContact CD2-CG 4.23Å; F135-Y302 AromaticContact CE2-CD2 3.76Å; F135-Y302 HydrophobicContact CE2-CD2 3.76Å; F135-Y302 HydrophobicContact CE2-CG 4.22Å; Y302-E304 WeakPolarHBondContact OH-CG 3.27Å
303D44.4Very low53.5Low47 Ų4761.6 Ų61.625%0.25134%0.344SS..  trans-149.9165.8157.1-150.527.3000118.5M1 L3 I133M1-D303 HydrophobicContact CE-CB 3.18Å; M1-D303 VanDerWaalsContact CE-OD1 3.32Å; M1-D303 WeakPolarHBondContact CE-OD1 3.44Å; M1-D303 HydrophobicContact CG-CB 3.55Å; M1-D303 VanDerWaalsContact CG-N 3.31Å; M1-D303 HydrophobicContact SD-CB 3.59Å; M1-D303 VanDerWaalsContact SD-CB 3.59Å; L3-D303 HydrophobicContact CD1-CB 3.89Å; L3-D303 WeakPolarHBondContact CD1-OD2 3.47Å; L3-D303 HydrophobicContact CD2-CB 3.65Å; L3-D303 WeakPolarHBondContact CD2-OD2 3.48Å; L3-D303 HydrophobicContact CG-CB 4.02Å; I133-D303 HydrophobicContact CD1-CB 3.88Å
304E30.5Very low51.5Low151 Ų15159.5 Ų59.571%0.70634%0.34SS*.  trans-120.1127.1156-102.7175.4-171.100115.5Y302Y302-E304 WeakPolarHBondContact OH-CG 3.27Å
305G26.3Very low49.4Very low65 Ų6558.3 Ų58.367%0.6733%0.329SS*.  trans75116.3131.900000122.2
306S30.4Very low47.7Very low99 Ų9962.8 Ų62.869%0.69235%0.354SS*.  trans-149.4119.2145-52.70000109.1
307I28.7Very low45Very low247 Ų24763.6 Ų63.6100%1.26736%0.359SS*.  trans-76.20169.4-59.1171.5000108.9

Retrieved 307 of 307 residues in 603.6 ms (Link to these results)

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