A0A060D1D4_MAIZE Loading...

MYB-related transcription factor

AlphaFold DB , UniProt , Accession A0A060D1D4, Species MAIZE (Zea mays, Maize), Gene MYBR4, Length 227 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
1M40.9Very low51.7Low243 Ų243144.3 Ų144.3100%1.19783%0.829SS**  088.20-91.1-169172.100106.4
2D47.2Very low53Low165 Ų165140.1 Ų140.188%0.88280%0.801SS**  trans-78.4149.9-174.5-43.1-67.7000109.8
3G47.5Very low53.9Low74 Ų74143.2 Ų143.276%0.76380%0.804SS**  trans165.729.1167.700000121.8
4Y52.4Low55.6Low238 Ų238144.4 Ų144.493%0.93379%0.79SS**  trans-149.862.2160.7-142.5-93.1000112.4
5D56.6Low57.5Low147 Ų147139.9 Ų139.979%0.78677%0.773SS**  trans-141.385.1161.7-16514.2000109.2
6R54.6Low59.2Low255 Ų255134.9 Ų134.996%0.96276%0.763SS**  trans-128.284.1169.6-90.3-169-71.4154.2-3.1107.7
7G53.6Low60.6Low44 Ų44137.5 Ų137.545%0.45477%0.765SS.*  trans167.455.517300000111.1H9G7-H9 PolarHBondContact O-CD2 3.37Å; G7-H9 PolarHBondContact O-N 3.31Å
8A48.6Very low62.1Low103 Ų103133 Ų13385%0.85174%0.744SS**  trans-49.4103.5170.300000108.9A10A8-A10 PolarHBondContact O-N 3.33Å
9H52.1Low63.3Low139 Ų139127.7 Ų127.764%0.64472%0.716SS**  trans-60.7121-175.2-77.5-99.5000108.8G7 G11G7-H9 PolarHBondContact O-CD2 3.37Å; G7-H9 PolarHBondContact O-N 3.31Å; H9-G11 PolarHBondContact O-N 3.45Å
10A57.5Low64.6Low96 Ų96126.5 Ų126.579%0.79370%0.7SS**  trans-62.679.5161.800000108.9A8 L12A8-A10 PolarHBondContact O-N 3.33Å; A10-L12 VanDerWaalsContact O-CB 3.28Å; A10-L12 WeakPolarHBondContact O-CB 3.45Å; A10-L12 PolarHBondContact O-N 3.11Å
11G58.3Low65.8Low83 Ų83125.2 Ų125.286%0.85669%0.692SS**SBendtrans50.15.7165.200000119.1H9H9-G11 PolarHBondContact O-N 3.45Å
12L66.6Low68.2Low94 Ų94120.6 Ų120.649%0.49266%0.661SS.*  trans-127.592.7-164.9-16172.5000109.7A10 R14A10-L12 VanDerWaalsContact O-CB 3.28Å; A10-L12 WeakPolarHBondContact O-CB 3.45Å; A10-L12 PolarHBondContact O-N 3.11Å; L12-R14 HydrophobicContact CD2-CG 3.82Å; L12-R14 HydrophobicContact CG-CG 3.7Å; L12-R14 PolarHBondContact O-N 2.9Å
13E64.9Low70.1Confident180 Ų180113 Ų11384%0.84162%0.62SS**  trans-66.866.4172.4-68.1-90.910500110.5
14R77.6Confident72.1Confident160 Ų160112.7 Ų112.760%0.60460%0.599SS**  trans-96.8123.3170.4-66.1-124.6171101.72109.5L12L12-R14 HydrophobicContact CD2-CG 3.82Å; L12-R14 HydrophobicContact CG-CG 3.7Å; L12-R14 PolarHBondContact O-N 2.9Å
15S84.3Confident73.8Confident77 Ų77102 Ų10254%0.53856%0.559SS.*  trans-63142.6168.666.50000110.7K17 S18 C19S15-K17 PolarHBondContact O-N 3.12Å; S15-K17 VanDerWaalsContact O-N 3.08Å; S15-S18 WeakPolarHBondContact O-CB 3.41Å; S15-S18 PolarHBondContact O-N 3.29Å; S15-S18 PolarHBondContact OG-N 3.27Å; S15-C19 PolarHBondContact O-N 3.21Å; S15-C19 VanDerWaalsContact O-N 3.17Å
16G85.5Confident75.4Confident60 Ų60100.6 Ų100.662%0.61954%0.543SS*.Hα-helixtrans-54.3-31.3176.600000113.1C19 R20G16-C19 PolarHBondContact O-N 3.08Å; G16-R20 WeakPolarHBondContact O-CB 3.49Å; G16-R20 PolarHBondContact O-N 3.3Å
17K82.5Confident77Confident180 Ų18090.9 Ų90.978%0.78351%0.51SS*.Hα-helixtrans-62.2-44.3174.2-176177.2-178.5177.90112.8S15 R20 L21S15-K17 PolarHBondContact O-N 3.12Å; S15-K17 VanDerWaalsContact O-N 3.08Å; K17-R20 PolarHBondContact O-N 3.3Å; K17-L21 PolarHBondContact O-N 3.16Å
18S86.7Confident78.6Confident56 Ų5690.2 Ų90.239%0.39250%0.495SS..Hα-helixtrans-66.9-41178.4-1730000111.1S15 L21 R22S15-S18 WeakPolarHBondContact O-CB 3.41Å; S15-S18 PolarHBondContact O-N 3.29Å; S15-S18 PolarHBondContact OG-N 3.27Å; S18-L21 PolarHBondContact O-N 3.36Å; S18-R22 WeakPolarHBondContact O-CB 3.25Å; S18-R22 PolarHBondContact O-N 3.47Å
19C86.3Confident80.4Confident33 Ų3389.2 Ų89.222%0.22348%0.479CS..Hα-helixtrans-60.1-49.2175.3-170.40000110.7S15 G16 L21 R22 W23 Y213S15-C19 PolarHBondContact O-N 3.21Å; S15-C19 VanDerWaalsContact O-N 3.17Å; G16-C19 PolarHBondContact O-N 3.08Å; C19-L21 PolarHBondContact O-N 3.4Å; C19-R22 PolarHBondContact O-N 3.2Å; C19-R22 VanDerWaalsContact O-N 3.14Å; C19-W23 PolarHBondContact O-N 3.07Å; C19-Y213 VanDerWaalsContact SG-CE1 3.57Å
20R89.3Confident82.1Confident103 Ų10387.4 Ų87.439%0.38948%0.475SS..Hα-helixtrans-55.8-48.1176.8-165.6-172177.2-150.65.8113.1G16 K17 R22 W23 M24 E206 F209G16-R20 WeakPolarHBondContact O-CB 3.49Å; G16-R20 PolarHBondContact O-N 3.3Å; K17-R20 PolarHBondContact O-N 3.3Å; R20-R22 VanDerWaalsContact C-N 3.31Å; R20-R22 PolarHBondContact O-N 3.28Å; R20-W23 PolarHBondContact O-N 3.38Å; R20-M24 HydrophobicContact CG-CE 3.79Å; R20-M24 HydrophobicContact CG-CG 4.42Å; R20-M24 HydrophobicContact CG-SD 3.96Å; R20-M24 WeakPolarHBondContact O-CG 3.47Å; R20-M24 PolarHBondContact O-N 2.95Å; R20-M24 VanDerWaalsContact O-N 3.08Å; R20-E206 IonicContact NH2-OE1 3.99Å; R20-E206 PolarHBondContact NH2-OE1 3.13Å; R20-E206 VanDerWaalsContact NH2-OE1 3.08Å; R20-F209 HydrophobicContact CB-CE1 4.32Å; R20-F209 HydrophobicContact CB-CE2 4.2Å; R20-F209 HydrophobicContact CB-CZ 3.98Å; R20-F209 HydrophobicContact CG-CD2 4.13Å; R20-F209 HydrophobicContact CG-CE1 4.41Å; R20-F209 HydrophobicContact CG-CE2 3.81Å; R20-F209 HydrophobicContact CG-CZ 4.06Å
21L89.7Confident83.5Confident100 Ų10084 Ų8452%0.52444%0.443SS..Hα-helixtrans-60.2-43.5178.7-174.273.7000111.6K17 S18 C19 N25K17-L21 PolarHBondContact O-N 3.16Å; S18-L21 PolarHBondContact O-N 3.36Å; C19-L21 PolarHBondContact O-N 3.4Å; L21-N25 VanDerWaalsContact CD1-ND2 3.31Å; L21-N25 WeakPolarHBondContact CD1-ND2 3.44Å; L21-N25 WeakPolarHBondContact O-CB 3.01Å; L21-N25 PolarHBondContact O-N 3.21Å; L21-N25 VanDerWaalsContact O-N 3.13Å; L21-N25 PolarHBondContact O-ND2 3.4Å
22R90Very high84.8Confident145 Ų14581.7 Ų81.755%0.54741%0.414SS..Hα-helixtrans-63.8-43.7-178.2-17169.6-177.7-158.50.5111.4S18 C19 R20 Y26 L27S18-R22 WeakPolarHBondContact O-CB 3.25Å; S18-R22 PolarHBondContact O-N 3.47Å; C19-R22 PolarHBondContact O-N 3.2Å; C19-R22 VanDerWaalsContact O-N 3.14Å; R20-R22 VanDerWaalsContact C-N 3.31Å; R20-R22 PolarHBondContact O-N 3.28Å; R22-Y26 WeakPolarHBondContact O-CA 3.49Å; R22-Y26 WeakPolarHBondContact O-CB 3.4Å; R22-Y26 PolarHBondContact O-N 3.36Å; R22-L27 HydrophobicContact CG-CD1 3.78Å; R22-L27 HydrophobicContact CG-CG 4.01Å; R22-L27 PolarHBondContact O-N 3.37Å
23W87.9Confident85.8Confident6 Ų686.1 Ų86.12%0.02342%0.424CS..Iπ-helixtrans-64.6-54.6177.3171.6-92.2000112.4C19 R20 N25 Y26 L27 Q28 F209 E212 Y213 F216C19-W23 PolarHBondContact O-N 3.07Å; R20-W23 PolarHBondContact O-N 3.38Å; W23-N25 PolarHBondContact O-N 2.96Å; W23-N25 VanDerWaalsContact O-N 3.13Å; W23-Y26 PolarHBondContact O-N 3.16Å; W23-L27 HydrophobicContact CE3-CB 3.64Å; W23-L27 HydrophobicContact CZ3-CB 4.18Å; W23-L27 PolarHBondContact O-N 3.06Å; W23-Q28 HydrophobicContact CD2-CB 4.48Å; W23-Q28 HydrophobicContact CZ2-CB 4.44Å; W23-Q28 HydrophobicContact CZ2-CG 4.29Å; W23-Q28 PolarHBondContact O-N 3.27Å; W23-F209 HydrophobicContact CB-CE2 3.46Å; W23-F209 VanDerWaalsContact CB-CE2 3.46Å; W23-F209 HydrophobicContact CB-CZ 3.81Å; W23-F209 AromaticContact CD1-CD2 3.47Å; W23-F209 VanDerWaalsContact CD1-CD2 3.47Å; W23-F209 AromaticContact CD1-CE2 3.17Å; W23-F209 HydrophobicContact CG-CD2 4.14Å; W23-F209 AromaticContact CG-CE2 3.43Å; W23-F209 HydrophobicContact CG-CE2 3.43Å; W23-F209 VanDerWaalsContact CG-CE2 3.43Å; W23-F209 HydrophobicContact CG-CZ 4.09Å; W23-E212 HydrophobicContact CZ2-CB 4.05Å; W23-Y213 HydrophobicContact CD2-CD2 4.08Å; W23-Y213 AromaticContact CE3-CD2 3.41Å; W23-Y213 HydrophobicContact CE3-CD2 3.41Å; W23-Y213 VanDerWaalsContact CE3-CD2 3.41Å; W23-Y213 HydrophobicContact CE3-CE2 4.15Å; W23-Y213 HydrophobicContact CE3-CG 4.35Å; W23-Y213 AromaticContact CZ3-CD2 3.85Å; W23-Y213 HydrophobicContact CZ3-CD2 3.85Å; W23-F216 HydrophobicContact CH2-CB 3.72Å; W23-F216 HydrophobicContact CH2-CD1 4.28Å; W23-F216 AromaticContact CH2-CG 3.94Å; W23-F216 HydrophobicContact CH2-CG 3.94Å; W23-F216 HydrophobicContact CZ3-CB 3.86Å; W23-F216 AromaticContact CZ3-CD1 3.59Å; W23-F216 HydrophobicContact CZ3-CD1 3.59Å; W23-F216 HydrophobicContact CZ3-CE1 4.25Å; W23-F216 AromaticContact CZ3-CG 3.74Å; W23-F216 HydrophobicContact CZ3-CG 3.74Å
24M89.3Confident87Confident67 Ų6783.9 Ų83.933%0.3341%0.413SS..Iπ-helixtrans-62.5-25.8-176.4-65.1-176-5100113.9R20 T66R20-M24 HydrophobicContact CG-CE 3.79Å; R20-M24 HydrophobicContact CG-CG 4.42Å; R20-M24 HydrophobicContact CG-SD 3.96Å; R20-M24 WeakPolarHBondContact O-CG 3.47Å; R20-M24 PolarHBondContact O-N 2.95Å; R20-M24 VanDerWaalsContact O-N 3.08Å; M24-T66 WeakPolarHBondContact O-CG2 3.25Å
25N88.7Confident87.6Confident15 Ų1580.6 Ų80.68%0.0841%0.413CS..Iπ-helixtrans-107.6-13.5-176.2-69.4-89.3000114.8L21 W23 L31 N68L21-N25 VanDerWaalsContact CD1-ND2 3.31Å; L21-N25 WeakPolarHBondContact CD1-ND2 3.44Å; L21-N25 WeakPolarHBondContact O-CB 3.01Å; L21-N25 PolarHBondContact O-N 3.21Å; L21-N25 VanDerWaalsContact O-N 3.13Å; L21-N25 PolarHBondContact O-ND2 3.4Å; W23-N25 PolarHBondContact O-N 2.96Å; W23-N25 VanDerWaalsContact O-N 3.13Å; N25-L31 WeakPolarHBondContact O-CD2 3.22Å; N25-N68 VanDerWaalsContact OD1-CB 3.26Å; N25-N68 WeakPolarHBondContact OD1-CB 3.38Å
26Y89.6Confident88Confident117 Ų11778.3 Ų78.346%0.45939%0.394SS..Iπ-helixtrans-144.9-36.3-171.8-56.5-79.6000115.3R22 W23R22-Y26 WeakPolarHBondContact O-CA 3.49Å; R22-Y26 WeakPolarHBondContact O-CB 3.4Å; R22-Y26 PolarHBondContact O-N 3.36Å; W23-Y26 PolarHBondContact O-N 3.16Å
27L88.5Confident88.3Confident51 Ų5178 Ų7827%0.26738%0.382SS..Iπ-helixtrans-100.8-17.6-171.2-52.9175.3000114.3R22 W23 Y213R22-L27 HydrophobicContact CG-CD1 3.78Å; R22-L27 HydrophobicContact CG-CG 4.01Å; R22-L27 PolarHBondContact O-N 3.37Å; W23-L27 HydrophobicContact CE3-CB 3.64Å; W23-L27 HydrophobicContact CZ3-CB 4.18Å; W23-L27 PolarHBondContact O-N 3.06Å; L27-Y213 HydrophobicContact CD1-CE2 4.14Å
28Q87.3Confident88.8Confident30 Ų3078.7 Ų78.714%0.1438%0.38CS..  trans-59.5132179.3-170.8-175.7-44.300110.6W23 D30 L31W23-Q28 HydrophobicContact CD2-CB 4.48Å; W23-Q28 HydrophobicContact CZ2-CB 4.44Å; W23-Q28 HydrophobicContact CZ2-CG 4.29Å; W23-Q28 PolarHBondContact O-N 3.27Å; Q28-D30 VanDerWaalsContact C-N 3.28Å; Q28-D30 PolarHBondContact NE2-OD2 3.4Å; Q28-D30 PolarHBondContact O-N 3.39Å; Q28-L31 VanDerWaalsContact O-CB 3.27Å; Q28-L31 WeakPolarHBondContact O-CB 3.41Å; Q28-L31 PolarHBondContact O-N 2.96Å; Q28-L31 VanDerWaalsContact O-N 3.12Å
29P86.9Confident89.2Confident81 Ų8182.8 Ų82.853%0.52639%0.393SS..THydrogen-bonded Turntrans-62.7-31.9-17522.6-34000113.6L31P29-L31 PolarHBondContact O-N 3.06Å
30D87.3Confident89.6Confident102 Ų10282.2 Ų82.255%0.54539%0.387SS..THydrogen-bonded Turntrans-73.6-3.7179.2-50-38.5000113.9Q28 G64 R205Q28-D30 VanDerWaalsContact C-N 3.28Å; Q28-D30 PolarHBondContact NE2-OD2 3.4Å; Q28-D30 PolarHBondContact O-N 3.39Å; D30-G64 VanDerWaalsContact O-CA 3.27Å; D30-G64 WeakPolarHBondContact O-CA 3.35Å; D30-R205 IonicContact OD2-NH2 3.9Å
31L87.2Confident89.8Confident24 Ų2480.4 Ų80.413%0.12638%0.383CS..  trans-79.2123.6-177.9-173.266.9000110.7N25 Q28 P29 R33 T66N25-L31 WeakPolarHBondContact O-CD2 3.22Å; Q28-L31 VanDerWaalsContact O-CB 3.27Å; Q28-L31 WeakPolarHBondContact O-CB 3.41Å; Q28-L31 PolarHBondContact O-N 2.96Å; Q28-L31 VanDerWaalsContact O-N 3.12Å; P29-L31 PolarHBondContact O-N 3.06Å; L31-R33 PolarHBondContact O-N 3.04Å; L31-T66 HydrophobicContact CD1-CG2 3.33Å; L31-T66 HydrophobicContact CD2-CG2 4.45Å
32S85.8Confident90Very high34 Ų3480.3 Ų80.324%0.23838%0.383CS..  trans-71.3126.5173.563.10000110.7G64 R65S32-G64 WeakPolarHBondContact CB-O 3.31Å; S32-G64 PolarHBondContact N-O 3.22Å; S32-G64 PolarHBondContact OG-O 3.08Å; S32-R65 WeakPolarHBondContact OG-CD 3.43Å; S32-R65 PolarHBondContact OG-NE 2.89Å; S32-R65 PolarHBondContact OG-NH1 3.31Å
33R87.1Confident90.3Very high188 Ų18878.2 Ų78.271%0.70938%0.375SS*.  trans-91.2-10.8177.2-61.7-179.5178.8108.52.8112.8L31L31-R33 PolarHBondContact O-N 3.04Å
34E88.7Confident90.6Very high133 Ų13377.9 Ų77.962%0.62137%0.374SS*.SBendtrans-67.7151.2-178.6-65.9-54.4134.500111.8R65E34-R65 VanDerWaalsContact O-CZ 3.31Å; E34-R65 PolarHBondContact O-NH1 2.84Å; E34-R65 PolarHBondContact O-NH2 3.32Å
35P90.9Very high90.9Very high90 Ų9076.4 Ų76.458%0.58437%0.368SS*.PPolyproline II helixtrans-58.1153.7170.227.2-34.7000110.8S37 R65P35-S37 PolarHBondContact O-N 3.41Å; P35-S37 VanDerWaalsContact O-N 3.15Å; P35-R65 PolarHBondContact O-NH2 2.85Å
36I91.9Very high91.2Very high30 Ų3078.8 Ų78.815%0.15439%0.386CS..PPolyproline II helixtrans-62.1119.4177.9-62-171.3000109.3E40 E41 I44 Y73I36-E40 HydrophobicContact CG2-CB 3.57Å; I36-E41 HydrophobicContact CG2-CG 3.83Å; I36-I44 HydrophobicContact CD1-CD1 3.79Å; I36-I44 HydrophobicContact CG2-CD1 3.88Å; I36-Y73 HydrophobicContact CB-CD2 4.29Å; I36-Y73 VanDerWaalsContact CD1-CB 3.44Å; I36-Y73 HydrophobicContact CD1-CD1 4.47Å; I36-Y73 HydrophobicContact CD1-CD2 3.95Å; I36-Y73 HydrophobicContact CD1-CG 3.69Å; I36-Y73 HydrophobicContact CG2-CD2 4.4Å
37S93.6Very high91.5Very high52 Ų5274.3 Ų74.336%0.36437%0.37SS..PPolyproline II helixtrans-68.5151.2177.6158.50000111.1P35 Q39 E40 E41P35-S37 PolarHBondContact O-N 3.41Å; P35-S37 VanDerWaalsContact O-N 3.15Å; S37-Q39 PolarHBondContact O-N 3.49Å; S37-Q39 VanDerWaalsContact O-N 3.1Å; S37-Q39 PolarHBondContact OG-N 3Å; S37-E40 PolarHBondContact N-OE2 3.36Å; S37-E40 CarbonylContact O-C 3.6Å; S37-E40 WeakPolarHBondContact O-CA 3.45Å; S37-E40 VanDerWaalsContact O-CB 3.24Å; S37-E40 WeakPolarHBondContact O-CB 3.44Å; S37-E40 PolarHBondContact O-N 3.18Å; S37-E41 WeakPolarHBondContact O-CG 3.45Å; S37-E41 PolarHBondContact O-N 2.85Å
38R92.5Very high91.9Very high196 Ų19673.3 Ų73.374%0.7436%0.364SS*.Hα-helixtrans-51.2-37.6174.7-170.8179.4178.7-154.8-0.9113.4E40 E41 D42R38-E40 VanDerWaalsContact C-N 3.31Å; R38-E40 PolarHBondContact O-N 2.89Å; R38-E41 WeakPolarHBondContact O-CB 3.42Å; R38-E41 PolarHBondContact O-N 3.35Å; R38-D42 PolarHBondContact O-N 3.1Å; R38-D42 VanDerWaalsContact O-N 3.08Å
39Q94.1Very high92.2Very high142 Ų14279.8 Ų79.866%0.66439%0.392SS*.Hα-helixtrans-66.5-34.4175.9-67.5179.1-20.700112.4S37 R43S37-Q39 PolarHBondContact O-N 3.49Å; S37-Q39 VanDerWaalsContact O-N 3.1Å; S37-Q39 PolarHBondContact OG-N 3Å; Q39-R43 WeakPolarHBondContact O-CG 3.47Å; Q39-R43 PolarHBondContact O-N 2.85Å; Q39-R43 PolarHBondContact O-NE 3.42Å
40E94.9Very high92.6Very high21 Ų2181.7 Ų81.710%0.09840%0.397CS..Hα-helixtrans-71.6-38.6172.9-67.3179.5117.300111.1I36 S37 R38 D42 R43 I44 M62 R65I36-E40 HydrophobicContact CG2-CB 3.57Å; S37-E40 PolarHBondContact N-OE2 3.36Å; S37-E40 CarbonylContact O-C 3.6Å; S37-E40 WeakPolarHBondContact O-CA 3.45Å; S37-E40 VanDerWaalsContact O-CB 3.24Å; S37-E40 WeakPolarHBondContact O-CB 3.44Å; S37-E40 PolarHBondContact O-N 3.18Å; R38-E40 VanDerWaalsContact C-N 3.31Å; R38-E40 PolarHBondContact O-N 2.89Å; E40-D42 VanDerWaalsContact C-N 3.34Å; E40-D42 PolarHBondContact O-N 3.46Å; E40-R43 CarbonylContact O-C 3.52Å; E40-R43 WeakPolarHBondContact O-CB 3.49Å; E40-R43 PolarHBondContact O-N 2.98Å; E40-I44 VanDerWaalsContact O-CG1 3.29Å; E40-I44 WeakPolarHBondContact O-CG1 3.17Å; E40-I44 PolarHBondContact O-N 3.02Å; E40-M62 HydrophobicContact CB-CE 3.61Å; E40-M62 HydrophobicContact CG-CE 3.9Å; E40-R65 WeakPolarHBondContact OE1-CG 3.33Å; E40-R65 IonicContact OE1-CZ 2.92Å; E40-R65 IonicContact OE1-NE 3.51Å; E40-R65 PolarHBondContact OE1-NE 3.01Å; E40-R65 IonicContact OE1-NH2 3.08Å; E40-R65 IonicContact OE2-CZ 3.65Å; E40-R65 IonicContact OE2-NE 2.82Å; E40-R65 PolarHBondContact OE2-NE 3.45Å; E40-R65 IonicContact OE2-NH2 3.59Å; E40-R65 PolarHBondContact OE2-NH2 2.89Å
41E94.1Very high93Very high64 Ų6478.1 Ų78.130%0.29938%0.378SS..Hα-helixtrans-57.3-47175.1-59-172.6169.100111.7I36 S37 R38 R43 I44 V45 Y73I36-E41 HydrophobicContact CG2-CG 3.83Å; S37-E41 WeakPolarHBondContact O-CG 3.45Å; S37-E41 PolarHBondContact O-N 2.85Å; R38-E41 WeakPolarHBondContact O-CB 3.42Å; R38-E41 PolarHBondContact O-N 3.35Å; E41-R43 VanDerWaalsContact C-N 3.3Å; E41-R43 PolarHBondContact O-N 3.24Å; E41-I44 PolarHBondContact O-N 3.41Å; E41-V45 WeakPolarHBondContact O-CG2 3.13Å; E41-V45 PolarHBondContact O-N 3.48Å; E41-Y73 HydrophobicContact CB-CE1 4.19Å; E41-Y73 VanDerWaalsContact CB-OH 3.31Å; E41-Y73 WeakPolarHBondContact CB-OH 3.47Å; E41-Y73 HydrophobicContact CG-CE1 4.15Å; E41-Y73 HydrophobicContact CG-CE2 3.75Å; E41-Y73 WeakPolarHBondContact CG-OH 3.35Å; E41-Y73 PolarHBondContact OE1-OH 3.26Å; E41-Y73 PolarHBondContact OE2-OH 3.47Å; E41-Y73 VanDerWaalsContact OE2-OH 3.1Å
42D94.4Very high93.3Very high99 Ų9978.2 Ų78.253%0.52939%0.385SS..Hα-helixtrans-63.1-37.5177.8-71.5-29.7000111.7R38 E40 S46R38-D42 PolarHBondContact O-N 3.1Å; R38-D42 VanDerWaalsContact O-N 3.08Å; E40-D42 VanDerWaalsContact C-N 3.34Å; E40-D42 PolarHBondContact O-N 3.46Å; D42-S46 WeakPolarHBondContact O-CB 3.16Å; D42-S46 PolarHBondContact O-N 2.96Å; D42-S46 PolarHBondContact O-OG 3.46Å
43R95.5Very high93.7Very high100 Ų10081.4 Ų81.438%0.37740%0.399SS..Hα-helixtrans-64.6-45.3172.6-75.6-176.1-77.9172.7-6.1111.9Q39 E40 E41 V45 S46 L47 M62Q39-R43 WeakPolarHBondContact O-CG 3.47Å; Q39-R43 PolarHBondContact O-N 2.85Å; Q39-R43 PolarHBondContact O-NE 3.42Å; E40-R43 CarbonylContact O-C 3.52Å; E40-R43 WeakPolarHBondContact O-CB 3.49Å; E40-R43 PolarHBondContact O-N 2.98Å; E41-R43 VanDerWaalsContact C-N 3.3Å; E41-R43 PolarHBondContact O-N 3.24Å; R43-V45 VanDerWaalsContact C-N 3.35Å; R43-V45 PolarHBondContact O-N 3.03Å; R43-S46 WeakPolarHBondContact CA-OG 3.3Å; R43-S46 PolarHBondContact O-N 3.42Å; R43-S46 PolarHBondContact O-OG 3.19Å; R43-L47 VanDerWaalsContact O-CB 3.26Å; R43-L47 WeakPolarHBondContact O-CB 3.39Å; R43-L47 VanDerWaalsContact O-CG 3.25Å; R43-L47 WeakPolarHBondContact O-CG 3.45Å; R43-L47 PolarHBondContact O-N 3.38Å; R43-M62 HydrophobicContact CB-SD 4.44Å
44I95.1Very high94.1Very high0 Ų079.9 Ų79.90%039%0.393CS..Hα-helixtrans-60.9-46.4177-67.1166.6000110.2I36 E40 E41 Q48 M62 I70 Y73I36-I44 HydrophobicContact CD1-CD1 3.79Å; I36-I44 HydrophobicContact CG2-CD1 3.88Å; E40-I44 VanDerWaalsContact O-CG1 3.29Å; E40-I44 WeakPolarHBondContact O-CG1 3.17Å; E40-I44 PolarHBondContact O-N 3.02Å; E41-I44 PolarHBondContact O-N 3.41Å; I44-Q48 WeakPolarHBondContact O-CB 3.31Å; I44-Q48 PolarHBondContact O-N 2.86Å; I44-M62 HydrophobicContact CD1-CE 4.13Å; I44-M62 HydrophobicContact CD1-SD 4.37Å; I44-M62 HydrophobicContact CG1-CE 3.83Å; I44-M62 HydrophobicContact CG1-SD 3.55Å; I44-M62 VanDerWaalsContact CG1-SD 3.55Å; I44-I70 HydrophobicContact CD1-CG1 4.26Å; I44-I70 HydrophobicContact CD1-CG2 4.35Å; I44-I70 HydrophobicContact CG1-CG1 4.39Å; I44-I70 HydrophobicContact CG1-CG2 4.1Å; I44-I70 HydrophobicContact CG2-CG2 3.88Å; I44-Y73 HydrophobicContact CB-CD1 4.42Å; I44-Y73 HydrophobicContact CD1-CD1 3.7Å; I44-Y73 HydrophobicContact CD1-CE1 4.24Å; I44-Y73 HydrophobicContact CD1-CG 4.23Å; I44-Y73 HydrophobicContact CG2-CD1 4.02Å; I44-Y73 HydrophobicContact CG2-CE1 4.37Å
45V94.5Very high94.5Very high35 Ų3575.4 Ų75.421%0.21237%0.371CS..Hα-helixtrans-65.2-43.1-179172.60000111.6E41 R43 K49 W74 L77E41-V45 WeakPolarHBondContact O-CG2 3.13Å; E41-V45 PolarHBondContact O-N 3.48Å; R43-V45 VanDerWaalsContact C-N 3.35Å; R43-V45 PolarHBondContact O-N 3.03Å; V45-K49 VanDerWaalsContact O-CG 3.3Å; V45-K49 WeakPolarHBondContact O-CG 3.1Å; V45-K49 PolarHBondContact O-N 3.01Å; V45-W74 HydrophobicContact CG2-CZ3 4.46Å; V45-L77 HydrophobicContact CG2-CD1 4.31Å
46S95.7Very high94.7Very high66 Ų6675 Ų7546%0.46237%0.37SS..Hα-helixtrans-67.7-44.6178.453.80000112.3D42 R43 K49 L50D42-S46 WeakPolarHBondContact O-CB 3.16Å; D42-S46 PolarHBondContact O-N 2.96Å; D42-S46 PolarHBondContact O-OG 3.46Å; R43-S46 WeakPolarHBondContact CA-OG 3.3Å; R43-S46 PolarHBondContact O-N 3.42Å; R43-S46 PolarHBondContact O-OG 3.19Å; S46-K49 PolarHBondContact O-N 3.06Å; S46-L50 PolarHBondContact O-N 2.99Å
47L95.8Very high94.8Very high22 Ų2274.6 Ų74.612%0.11537%0.372CS..Hα-helixtrans-69-37178.2-69.8173.1000112.5R43 K49 L50 L51 I58 R61R43-L47 VanDerWaalsContact O-CB 3.26Å; R43-L47 WeakPolarHBondContact O-CB 3.39Å; R43-L47 VanDerWaalsContact O-CG 3.25Å; R43-L47 WeakPolarHBondContact O-CG 3.45Å; R43-L47 PolarHBondContact O-N 3.38Å; L47-K49 VanDerWaalsContact C-N 3.32Å; L47-K49 PolarHBondContact O-N 3.29Å; L47-L50 PolarHBondContact O-N 3.39Å; L47-L51 HydrophobicContact CD2-CD1 4.49Å; L47-L51 WeakPolarHBondContact O-CB 3.31Å; L47-L51 PolarHBondContact O-N 3.38Å; L47-I58 HydrophobicContact CB-CD1 4.44Å; L47-I58 HydrophobicContact CB-CG1 4.15Å; L47-I58 HydrophobicContact CB-CG2 3.92Å; L47-I58 HydrophobicContact CD1-CG2 3.82Å; L47-R61 HydrophobicContact CD1-CB 3.97Å
48Q95.6Very high94.9Very high30 Ų3072.1 Ų72.114%0.1435%0.354CS..Hα-helixtrans-64.8-37.9175.9-168.1-76.6-19.200111.2I44 L50 G52 N53 W55 I58 W74I44-Q48 WeakPolarHBondContact O-CB 3.31Å; I44-Q48 PolarHBondContact O-N 2.86Å; Q48-L50 VanDerWaalsContact C-N 3.29Å; Q48-L50 PolarHBondContact O-N 2.79Å; Q48-G52 WeakPolarHBondContact O-CA 3.43Å; Q48-G52 PolarHBondContact O-N 3.18Å; Q48-N53 PolarHBondContact NE2-OD1 3.36Å; Q48-W55 HydrophobicContact CG-CH2 4.2Å; Q48-W55 HydrophobicContact CG-CZ3 4.29Å; Q48-I58 HydrophobicContact CB-CD1 4.17Å; Q48-W74 HydrophobicContact CB-CE3 4.3Å; Q48-W74 HydrophobicContact CB-CH2 4.28Å; Q48-W74 HydrophobicContact CB-CZ3 4.01Å; Q48-W74 HydrophobicContact CG-CD2 4.03Å; Q48-W74 HydrophobicContact CG-CE3 3.97Å; Q48-W74 HydrophobicContact CG-CH2 3.78Å; Q48-W74 HydrophobicContact CG-CZ2 3.83Å; Q48-W74 HydrophobicContact CG-CZ3 3.83Å; Q48-W74 VanDerWaalsContact NE2-CZ2 3.34Å
49K94.3Very high95Very high167 Ų16763.6 Ų63.673%0.72633%0.325SS*.Hα-helixtrans-62-36.7173-74.4172.8179.5-178.70112.5V45 S46 L47V45-K49 VanDerWaalsContact O-CG 3.3Å; V45-K49 WeakPolarHBondContact O-CG 3.1Å; V45-K49 PolarHBondContact O-N 3.01Å; S46-K49 PolarHBondContact O-N 3.06Å; L47-K49 VanDerWaalsContact C-N 3.32Å; L47-K49 PolarHBondContact O-N 3.29Å
50L95.5Very high95Very high121 Ų12160.2 Ų60.263%0.63432%0.322SS*.Hα-helixtrans-82.5-42.5-177.5-177.463.5000113.3S46 L47 Q48S46-L50 PolarHBondContact O-N 2.99Å; L47-L50 PolarHBondContact O-N 3.39Å; Q48-L50 VanDerWaalsContact C-N 3.29Å; Q48-L50 PolarHBondContact O-N 2.79Å
51L94.9Very high94.9Very high26 Ų2665.7 Ų65.714%0.13634%0.342CS..Hα-helixtrans-106-12.8-170.1-60.2177.6000113.5L47 R54 A57 I58L47-L51 HydrophobicContact CD2-CD1 4.49Å; L47-L51 WeakPolarHBondContact O-CB 3.31Å; L47-L51 PolarHBondContact O-N 3.38Å; L51-R54 PolarHBondContact O-NE 2.84Å; L51-A57 HydrophobicContact CD1-CB 4.3Å; L51-I58 HydrophobicContact CD1-CG1 4.23Å
52G93.9Very high94.8Very high27 Ų2762.8 Ų62.828%0.27833%0.328SS..  trans71.9-151.7-170.600000112.3Q48 R54Q48-G52 WeakPolarHBondContact O-CA 3.43Å; Q48-G52 PolarHBondContact O-N 3.18Å; G52-R54 PolarHBondContact O-N 3.1Å
53N94.9Very high94.6Very high101 Ų10163.4 Ų63.454%0.5434%0.338SS..SBendtrans-81.332.9-177.6-60.9-18.4000113.1Q48 W55Q48-N53 PolarHBondContact NE2-OD1 3.36Å; N53-W55 HydrophobicContact CB-CH2 4.39Å; N53-W55 HydrophobicContact CB-CZ2 3.71Å; N53-W55 PolarHBondContact O-N 3.16Å; N53-W55 PolarHBondContact O-NE1 3.45Å
54R95.6Very high94.4Very high156 Ų15659.9 Ų59.959%0.58933%0.332SS*.  trans-83.268177.4-70.5-169.3-83.8-178.1-6.9110.1L51 G52 S56 A57 I58L51-R54 PolarHBondContact O-NE 2.84Å; G52-R54 PolarHBondContact O-N 3.1Å; R54-S56 VanDerWaalsContact C-N 3.34Å; R54-S56 PolarHBondContact O-N 2.97Å; R54-A57 HydrophobicContact CB-CB 4.03Å; R54-A57 WeakPolarHBondContact O-CA 3.26Å; R54-A57 WeakPolarHBondContact O-CB 3.29Å; R54-A57 PolarHBondContact O-N 3.19Å; R54-I58 PolarHBondContact O-N 3.32Å; R54-I58 VanDerWaalsContact O-N 3.09Å
55W96.6Very high94.3Very high38 Ų3860.7 Ų60.714%0.14434%0.335CS..Hα-helixtrans-53.8-44.8-169.6-53.9120.2000113.9Q48 N53 A57 I58 A59 D67 I70 K71 W74Q48-W55 HydrophobicContact CG-CH2 4.2Å; Q48-W55 HydrophobicContact CG-CZ3 4.29Å; N53-W55 HydrophobicContact CB-CH2 4.39Å; N53-W55 HydrophobicContact CB-CZ2 3.71Å; N53-W55 PolarHBondContact O-N 3.16Å; N53-W55 PolarHBondContact O-NE1 3.45Å; W55-A57 VanDerWaalsContact C-N 3.27Å; W55-A57 PolarHBondContact O-N 2.88Å; W55-I58 HydrophobicContact CE3-CD1 4.02Å; W55-I58 HydrophobicContact CZ3-CD1 4.09Å; W55-I58 PolarHBondContact O-N 3.48Å; W55-I58 VanDerWaalsContact O-N 3.11Å; W55-A59 WeakPolarHBondContact O-CB 3.49Å; W55-A59 PolarHBondContact O-N 3.44Å; W55-D67 HydrophobicContact CB-CB 3.75Å; W55-I70 HydrophobicContact CE3-CB 4.48Å; W55-I70 HydrophobicContact CE3-CG2 3.64Å; W55-I70 HydrophobicContact CZ3-CG2 3.93Å; W55-K71 HydrophobicContact CD2-CB 3.9Å; W55-K71 HydrophobicContact CD2-CG 4.43Å; W55-K71 HydrophobicContact CE3-CB 4.47Å; W55-K71 HydrophobicContact CG-CB 3.96Å; W55-K71 HydrophobicContact CG-CG 4.46Å; W55-W74 HydrophobicContact CH2-CB 3.65Å; W55-W74 AromaticContact CH2-CD1 3.41Å; W55-W74 VanDerWaalsContact CH2-CD1 3.41Å; W55-W74 HydrophobicContact CH2-CD2 4.13Å; W55-W74 AromaticContact CH2-CG 3.45Å; W55-W74 HydrophobicContact CH2-CG 3.45Å; W55-W74 VanDerWaalsContact CH2-CG 3.45Å; W55-W74 AromaticContact CH2-NE1 3.96Å; W55-W74 HydrophobicContact CZ2-CB 4.47Å; W55-W74 AromaticContact CZ2-CD1 3.87Å; W55-W74 HydrophobicContact CZ2-CG 4.29Å; W55-W74 HydrophobicContact CZ3-CB 4.01Å; W55-W74 HydrophobicContact CZ3-CG 4.16Å
56S94.5Very high94.3Very high82 Ų8259.8 Ų59.857%0.57333%0.33SS*.Hα-helixtrans-61.8-34.4177.5-410000112.5R54 A60R54-S56 VanDerWaalsContact C-N 3.34Å; R54-S56 PolarHBondContact O-N 2.97Å; S56-A60 PolarHBondContact O-N 3.17Å
57A95.2Very high94.3Very high22 Ų2259.2 Ų59.218%0.18232%0.321CS..Hα-helixtrans-74.2-30.2176.200000112.7L51 R54 W55L51-A57 HydrophobicContact CD1-CB 4.3Å; R54-A57 HydrophobicContact CB-CB 4.03Å; R54-A57 WeakPolarHBondContact O-CA 3.26Å; R54-A57 WeakPolarHBondContact O-CB 3.29Å; R54-A57 PolarHBondContact O-N 3.19Å; W55-A57 VanDerWaalsContact C-N 3.27Å; W55-A57 PolarHBondContact O-N 2.88Å
58I95.5Very high94.2Very high0 Ų059.7 Ų59.70%032%0.324CS..Hα-helixtrans-72-46.3172.5-58.2177.9000109.7L47 Q48 L51 R54 W55 A60 R61 M62 I70L47-I58 HydrophobicContact CB-CD1 4.44Å; L47-I58 HydrophobicContact CB-CG1 4.15Å; L47-I58 HydrophobicContact CB-CG2 3.92Å; L47-I58 HydrophobicContact CD1-CG2 3.82Å; Q48-I58 HydrophobicContact CB-CD1 4.17Å; L51-I58 HydrophobicContact CD1-CG1 4.23Å; R54-I58 PolarHBondContact O-N 3.32Å; R54-I58 VanDerWaalsContact O-N 3.09Å; W55-I58 HydrophobicContact CE3-CD1 4.02Å; W55-I58 HydrophobicContact CZ3-CD1 4.09Å; W55-I58 PolarHBondContact O-N 3.48Å; W55-I58 VanDerWaalsContact O-N 3.11Å; I58-A60 VanDerWaalsContact C-N 3.27Å; I58-A60 PolarHBondContact O-N 3.46Å; I58-R61 WeakPolarHBondContact O-CB 3.33Å; I58-R61 PolarHBondContact O-N 2.9Å; I58-M62 HydrophobicContact CG2-SD 4.21Å; I58-I70 HydrophobicContact CB-CD1 4.41Å; I58-I70 HydrophobicContact CB-CG2 4.48Å; I58-I70 HydrophobicContact CG2-CD1 4.01Å; I58-I70 HydrophobicContact CG2-CG2 4.01Å
59A94.5Very high94.2Very high16 Ų1660.1 Ų60.113%0.13233%0.326CS..Hα-helixtrans-57.1-39.2177.400000112.4W55 R61 M62 D67 I70W55-A59 WeakPolarHBondContact O-CB 3.49Å; W55-A59 PolarHBondContact O-N 3.44Å; A59-R61 PolarHBondContact O-N 2.8Å; A59-M62 CarbonylContact O-C 3.5Å; A59-M62 PolarHBondContact O-N 2.94Å; A59-M62 VanDerWaalsContact O-O 3.12Å; A59-D67 HydrophobicContact CB-CB 4.15Å; A59-I70 VanDerWaalsContact CA-CD1 3.47Å; A59-I70 HydrophobicContact CB-CD1 3.8Å
60A93.5Very high94.2Very high72 Ų7252.2 Ų52.260%0.59529%0.292SS*.THydrogen-bonded Turntrans-57.9-20.9175.300000114S56 I58S56-A60 PolarHBondContact O-N 3.17Å; I58-A60 VanDerWaalsContact C-N 3.27Å; I58-A60 PolarHBondContact O-N 3.46Å
61R93.4Very high94.2Very high136 Ų13649.4 Ų49.451%0.51328%0.275SS..THydrogen-bonded Turntrans-1001177.8-58.9176.9-178.6-144.9-2.5113.1L47 I58 A59L47-R61 HydrophobicContact CD1-CB 3.97Å; I58-R61 WeakPolarHBondContact O-CB 3.33Å; I58-R61 PolarHBondContact O-N 2.9Å; A59-R61 PolarHBondContact O-N 2.8Å
62M91.9Very high94.2Very high2 Ų251.8 Ų51.81%0.0129%0.287CS..SBendtrans-127.188-176.8-65.3-170.763.900108.9E40 R43 I44 I58 A59 G64 R65 I70E40-M62 HydrophobicContact CB-CE 3.61Å; E40-M62 HydrophobicContact CG-CE 3.9Å; R43-M62 HydrophobicContact CB-SD 4.44Å; I44-M62 HydrophobicContact CD1-CE 4.13Å; I44-M62 HydrophobicContact CD1-SD 4.37Å; I44-M62 HydrophobicContact CG1-CE 3.83Å; I44-M62 HydrophobicContact CG1-SD 3.55Å; I44-M62 VanDerWaalsContact CG1-SD 3.55Å; I58-M62 HydrophobicContact CG2-SD 4.21Å; A59-M62 CarbonylContact O-C 3.5Å; A59-M62 PolarHBondContact O-N 2.94Å; A59-M62 VanDerWaalsContact O-O 3.12Å; M62-G64 PolarHBondContact O-N 3.43Å; M62-R65 HydrophobicContact CB-CB 3.92Å; M62-R65 HydrophobicContact CB-CG 4.29Å; M62-R65 HydrophobicContact CE-CG 4.18Å; M62-R65 PolarHBondContact O-N 3.42Å; M62-R65 VanDerWaalsContact O-N 3.08Å; M62-I70 HydrophobicContact SD-CD1 4.06Å; M62-I70 HydrophobicContact SD-CG1 4.43Å
63P89.7Confident94.2Very high113 Ų11352.3 Ų52.373%0.73428%0.281SS*.THydrogen-bonded Turntrans-58.4136.9-178.326.2-34.2000110.1R65P63-R65 VanDerWaalsContact C-N 3.25Å; P63-R65 PolarHBondContact O-N 2.95Å
64G91.6Very high94.2Very high25 Ų2548.9 Ų48.926%0.25826%0.261SS..THydrogen-bonded Turntrans74.66.2-178.100000115.5D30 S32 M62D30-G64 VanDerWaalsContact O-CA 3.27Å; D30-G64 WeakPolarHBondContact O-CA 3.35Å; S32-G64 WeakPolarHBondContact CB-O 3.31Å; S32-G64 PolarHBondContact N-O 3.22Å; S32-G64 PolarHBondContact OG-O 3.08Å; M62-G64 PolarHBondContact O-N 3.43Å
65R93.8Very high94.1Very high17 Ų1744.8 Ų44.86%0.06425%0.251CS..  trans-115.5135.2173.1-64.1-64.2-174.8-170.5-4111.7S32 E34 P35 E40 M62 P63 E69 I70S32-R65 WeakPolarHBondContact OG-CD 3.43Å; S32-R65 PolarHBondContact OG-NE 2.89Å; S32-R65 PolarHBondContact OG-NH1 3.31Å; E34-R65 VanDerWaalsContact O-CZ 3.31Å; E34-R65 PolarHBondContact O-NH1 2.84Å; E34-R65 PolarHBondContact O-NH2 3.32Å; P35-R65 PolarHBondContact O-NH2 2.85Å; E40-R65 WeakPolarHBondContact OE1-CG 3.33Å; E40-R65 IonicContact OE1-CZ 2.92Å; E40-R65 IonicContact OE1-NE 3.51Å; E40-R65 PolarHBondContact OE1-NE 3.01Å; E40-R65 IonicContact OE1-NH2 3.08Å; E40-R65 IonicContact OE2-CZ 3.65Å; E40-R65 IonicContact OE2-NE 2.82Å; E40-R65 PolarHBondContact OE2-NE 3.45Å; E40-R65 IonicContact OE2-NH2 3.59Å; E40-R65 PolarHBondContact OE2-NH2 2.89Å; M62-R65 HydrophobicContact CB-CB 3.92Å; M62-R65 HydrophobicContact CB-CG 4.29Å; M62-R65 HydrophobicContact CE-CG 4.18Å; M62-R65 PolarHBondContact O-N 3.42Å; M62-R65 VanDerWaalsContact O-N 3.08Å; P63-R65 VanDerWaalsContact C-N 3.25Å; P63-R65 PolarHBondContact O-N 2.95Å; R65-E69 IonicContact CZ-OE1 3.74Å; R65-E69 IonicContact NH1-OE1 2.81Å; R65-E69 PolarHBondContact NH1-OE1 3.11Å; R65-I70 HydrophobicContact CB-CD1 4.34Å; R65-I70 HydrophobicContact CB-CG1 4.46Å
66T95Very high93.8Very high16 Ų1645.9 Ų45.910%0.09826%0.264CS..  trans-88.6157.3177.158.10000111.8M24 L31 N68 E69 I70M24-T66 WeakPolarHBondContact O-CG2 3.25Å; L31-T66 HydrophobicContact CD1-CG2 3.33Å; L31-T66 HydrophobicContact CD2-CG2 4.45Å; T66-N68 PolarHBondContact O-N 2.96Å; T66-E69 PolarHBondContact N-OE2 3.06Å; T66-E69 PolarHBondContact O-N 3.43Å; T66-E69 VanDerWaalsContact OG1-CG 3.25Å; T66-E69 WeakPolarHBondContact OG1-CG 3.38Å; T66-E69 PolarHBondContact OG1-N 3.23Å; T66-E69 PolarHBondContact OG1-OE2 3.25Å; T66-I70 WeakPolarHBondContact O-CD1 3.26Å; T66-I70 WeakPolarHBondContact O-CG1 3.47Å; T66-I70 PolarHBondContact O-N 3.09Å
67D94.9Very high93.5Very high54 Ų5443.1 Ų43.129%0.28924%0.243SC..Hα-helixtrans-60-33171.973.5-47.9000111.4W55 A59 K71W55-D67 HydrophobicContact CB-CB 3.75Å; A59-D67 HydrophobicContact CB-CB 4.15Å; D67-K71 WeakPolarHBondContact O-CB 3.38Å; D67-K71 PolarHBondContact O-N 2.94Å
68N94.5Very high93Very high32 Ų3244.8 Ų44.817%0.17125%0.248CC..Hα-helixtrans-65.7-46.8176.8-168.560.3000112.6N25 T66 K71 N72N25-N68 VanDerWaalsContact OD1-CB 3.26Å; N25-N68 WeakPolarHBondContact OD1-CB 3.38Å; T66-N68 PolarHBondContact O-N 2.96Å; N68-K71 PolarHBondContact O-N 2.94Å; N68-K71 WeakPolarHBondContact OD1-CE 3.4Å; N68-K71 PolarHBondContact OD1-NZ 2.95Å; N68-N72 PolarHBondContact ND2-ND2 2.84Å; N68-N72 VanDerWaalsContact O-CB 3.31Å; N68-N72 WeakPolarHBondContact O-CB 3.24Å; N68-N72 PolarHBondContact O-N 3.31Å; N68-N72 PolarHBondContact O-ND2 3.1Å; N68-N72 PolarHBondContact O-OD1 3.15Å
69E94.5Very high92.1Very high40 Ų4051.3 Ų51.319%0.18728%0.276CS..Hα-helixtrans-59.9-47.5175.6-74.6167.4100.800111.7R65 T66 K71 N72 Y73R65-E69 IonicContact CZ-OE1 3.74Å; R65-E69 IonicContact NH1-OE1 2.81Å; R65-E69 PolarHBondContact NH1-OE1 3.11Å; T66-E69 PolarHBondContact N-OE2 3.06Å; T66-E69 PolarHBondContact O-N 3.43Å; T66-E69 VanDerWaalsContact OG1-CG 3.25Å; T66-E69 WeakPolarHBondContact OG1-CG 3.38Å; T66-E69 PolarHBondContact OG1-N 3.23Å; T66-E69 PolarHBondContact OG1-OE2 3.25Å; E69-K71 PolarHBondContact O-N 2.94Å; E69-N72 PolarHBondContact O-N 2.86Å; E69-N72 VanDerWaalsContact O-N 3.16Å; E69-Y73 WeakPolarHBondContact O-CB 3.32Å; E69-Y73 PolarHBondContact O-N 3.28Å
70I94.9Very high91.4Very high0 Ų057.2 Ų57.20%030%0.299CS..Hα-helixtrans-62.2-45.5-178.9-64.9165.2000110.5I44 W55 I58 A59 M62 R65 T66 N72 Y73 W74I44-I70 HydrophobicContact CD1-CG1 4.26Å; I44-I70 HydrophobicContact CD1-CG2 4.35Å; I44-I70 HydrophobicContact CG1-CG1 4.39Å; I44-I70 HydrophobicContact CG1-CG2 4.1Å; I44-I70 HydrophobicContact CG2-CG2 3.88Å; W55-I70 HydrophobicContact CE3-CB 4.48Å; W55-I70 HydrophobicContact CE3-CG2 3.64Å; W55-I70 HydrophobicContact CZ3-CG2 3.93Å; I58-I70 HydrophobicContact CB-CD1 4.41Å; I58-I70 HydrophobicContact CB-CG2 4.48Å; I58-I70 HydrophobicContact CG2-CD1 4.01Å; I58-I70 HydrophobicContact CG2-CG2 4.01Å; A59-I70 VanDerWaalsContact CA-CD1 3.47Å; A59-I70 HydrophobicContact CB-CD1 3.8Å; M62-I70 HydrophobicContact SD-CD1 4.06Å; M62-I70 HydrophobicContact SD-CG1 4.43Å; R65-I70 HydrophobicContact CB-CD1 4.34Å; R65-I70 HydrophobicContact CB-CG1 4.46Å; T66-I70 WeakPolarHBondContact O-CD1 3.26Å; T66-I70 WeakPolarHBondContact O-CG1 3.47Å; T66-I70 PolarHBondContact O-N 3.09Å; I70-N72 VanDerWaalsContact C-N 3.34Å; I70-N72 PolarHBondContact O-N 2.82Å; I70-Y73 PolarHBondContact O-N 3.08Å; I70-W74 WeakPolarHBondContact O-CB 3.47Å; I70-W74 PolarHBondContact O-N 2.78Å
71K95Very high90.6Very high63 Ų6359.6 Ų59.627%0.27430%0.296SS..Hα-helixtrans-59.6-44.3174.6177.5-175.870.7-150.20111.4W55 D67 N68 E69 W74 N75W55-K71 HydrophobicContact CD2-CB 3.9Å; W55-K71 HydrophobicContact CD2-CG 4.43Å; W55-K71 HydrophobicContact CE3-CB 4.47Å; W55-K71 HydrophobicContact CG-CB 3.96Å; W55-K71 HydrophobicContact CG-CG 4.46Å; D67-K71 WeakPolarHBondContact O-CB 3.38Å; D67-K71 PolarHBondContact O-N 2.94Å; N68-K71 PolarHBondContact O-N 2.94Å; N68-K71 WeakPolarHBondContact OD1-CE 3.4Å; N68-K71 PolarHBondContact OD1-NZ 2.95Å; E69-K71 PolarHBondContact O-N 2.94Å; K71-W74 PolarHBondContact O-N 2.68Å; K71-N75 WeakPolarHBondContact O-CB 3.37Å; K71-N75 VanDerWaalsContact O-CG 3.27Å; K71-N75 PolarHBondContact O-N 3.45Å; K71-N75 PolarHBondContact O-ND2 3.04Å
72N94.6Very high89.4Confident75 Ų7559.7 Ų59.740%0.40130%0.3SS..Hα-helixtrans-64.4-42.7179.1-73.3-15.3000112N68 E69 I70 N75 S76N68-N72 PolarHBondContact ND2-ND2 2.84Å; N68-N72 VanDerWaalsContact O-CB 3.31Å; N68-N72 WeakPolarHBondContact O-CB 3.24Å; N68-N72 PolarHBondContact O-N 3.31Å; N68-N72 PolarHBondContact O-ND2 3.1Å; N68-N72 PolarHBondContact O-OD1 3.15Å; E69-N72 PolarHBondContact O-N 2.86Å; E69-N72 VanDerWaalsContact O-N 3.16Å; I70-N72 VanDerWaalsContact C-N 3.34Å; I70-N72 PolarHBondContact O-N 2.82Å; N72-N75 PolarHBondContact O-N 3.06Å; N72-S76 WeakPolarHBondContact O-CB 3.25Å; N72-S76 PolarHBondContact O-N 3.19Å; N72-S76 PolarHBondContact O-OG 3.43Å
73Y94.1Very high88.5Confident38 Ų3866.5 Ų66.515%0.14933%0.33CS..Hα-helixtrans-60.8-48.7175.2175.9-100.1000111.7I36 E41 I44 E69 I70 N75 S76 L77I36-Y73 HydrophobicContact CB-CD2 4.29Å; I36-Y73 VanDerWaalsContact CD1-CB 3.44Å; I36-Y73 HydrophobicContact CD1-CD1 4.47Å; I36-Y73 HydrophobicContact CD1-CD2 3.95Å; I36-Y73 HydrophobicContact CD1-CG 3.69Å; I36-Y73 HydrophobicContact CG2-CD2 4.4Å; E41-Y73 HydrophobicContact CB-CE1 4.19Å; E41-Y73 VanDerWaalsContact CB-OH 3.31Å; E41-Y73 WeakPolarHBondContact CB-OH 3.47Å; E41-Y73 HydrophobicContact CG-CE1 4.15Å; E41-Y73 HydrophobicContact CG-CE2 3.75Å; E41-Y73 WeakPolarHBondContact CG-OH 3.35Å; E41-Y73 PolarHBondContact OE1-OH 3.26Å; E41-Y73 PolarHBondContact OE2-OH 3.47Å; E41-Y73 VanDerWaalsContact OE2-OH 3.1Å; I44-Y73 HydrophobicContact CB-CD1 4.42Å; I44-Y73 HydrophobicContact CD1-CD1 3.7Å; I44-Y73 HydrophobicContact CD1-CE1 4.24Å; I44-Y73 HydrophobicContact CD1-CG 4.23Å; I44-Y73 HydrophobicContact CG2-CD1 4.02Å; I44-Y73 HydrophobicContact CG2-CE1 4.37Å; E69-Y73 WeakPolarHBondContact O-CB 3.32Å; E69-Y73 PolarHBondContact O-N 3.28Å; I70-Y73 PolarHBondContact O-N 3.08Å; Y73-N75 PolarHBondContact O-N 3.43Å; Y73-S76 CarbonylContact O-C 3.6Å; Y73-S76 WeakPolarHBondContact O-CB 3.35Å; Y73-S76 PolarHBondContact O-N 2.95Å; Y73-S76 VanDerWaalsContact O-N 3.1Å; Y73-L77 HydrophobicContact CE1-CD1 3.89Å; Y73-L77 WeakPolarHBondContact O-CB 3.28Å; Y73-L77 PolarHBondContact O-N 2.75Å; Y73-L77 WeakPolarHBondContact OH-CD1 3.43Å
74W94.9Very high87.6Confident29 Ų2968.3 Ų68.311%0.1133%0.326CS..Hα-helixtrans-59.8-45.5178.6-177.4-103.8000112.5V45 Q48 W55 I70 K71 S76 L77 I78V45-W74 HydrophobicContact CG2-CZ3 4.46Å; Q48-W74 HydrophobicContact CB-CE3 4.3Å; Q48-W74 HydrophobicContact CB-CH2 4.28Å; Q48-W74 HydrophobicContact CB-CZ3 4.01Å; Q48-W74 HydrophobicContact CG-CD2 4.03Å; Q48-W74 HydrophobicContact CG-CE3 3.97Å; Q48-W74 HydrophobicContact CG-CH2 3.78Å; Q48-W74 HydrophobicContact CG-CZ2 3.83Å; Q48-W74 HydrophobicContact CG-CZ3 3.83Å; Q48-W74 VanDerWaalsContact NE2-CZ2 3.34Å; W55-W74 HydrophobicContact CH2-CB 3.65Å; W55-W74 AromaticContact CH2-CD1 3.41Å; W55-W74 VanDerWaalsContact CH2-CD1 3.41Å; W55-W74 HydrophobicContact CH2-CD2 4.13Å; W55-W74 AromaticContact CH2-CG 3.45Å; W55-W74 HydrophobicContact CH2-CG 3.45Å; W55-W74 VanDerWaalsContact CH2-CG 3.45Å; W55-W74 AromaticContact CH2-NE1 3.96Å; W55-W74 HydrophobicContact CZ2-CB 4.47Å; W55-W74 AromaticContact CZ2-CD1 3.87Å; W55-W74 HydrophobicContact CZ2-CG 4.29Å; W55-W74 HydrophobicContact CZ3-CB 4.01Å; W55-W74 HydrophobicContact CZ3-CG 4.16Å; I70-W74 WeakPolarHBondContact O-CB 3.47Å; I70-W74 PolarHBondContact O-N 2.78Å; K71-W74 PolarHBondContact O-N 2.68Å; W74-S76 VanDerWaalsContact C-N 3.27Å; W74-S76 PolarHBondContact O-N 3.42Å; W74-L77 PolarHBondContact O-N 2.74Å; W74-I78 VanDerWaalsContact CD1-CD1 3.5Å; W74-I78 HydrophobicContact CD2-CD1 4.47Å; W74-I78 HydrophobicContact CG-CD1 4.35Å; W74-I78 HydrophobicContact CZ2-CD1 4.29Å; W74-I78 WeakPolarHBondContact O-CG1 3.04Å; W74-I78 PolarHBondContact O-N 2.82Å
75N93.2Very high86.3Confident71 Ų7174.8 Ų74.838%0.3835%0.347SS..Hα-helixtrans-59.7-39.1175.7-74.9-27.7000111.8K71 N72 Y73 K79K71-N75 WeakPolarHBondContact O-CB 3.37Å; K71-N75 VanDerWaalsContact O-CG 3.27Å; K71-N75 PolarHBondContact O-N 3.45Å; K71-N75 PolarHBondContact O-ND2 3.04Å; N72-N75 PolarHBondContact O-N 3.06Å; Y73-N75 PolarHBondContact O-N 3.43Å; N75-K79 WeakPolarHBondContact O-CB 3.39Å; N75-K79 VanDerWaalsContact O-CG 3.25Å; N75-K79 WeakPolarHBondContact O-CG 3.44Å; N75-K79 PolarHBondContact O-N 3.17Å
76S91.5Very high84.9Confident60 Ų6079.7 Ų79.742%0.4237%0.374SS..Hα-helixtrans-67.7-40.2175.9-59.90000112.1N72 Y73 W74 K79 K80N72-S76 WeakPolarHBondContact O-CB 3.25Å; N72-S76 PolarHBondContact O-N 3.19Å; N72-S76 PolarHBondContact O-OG 3.43Å; Y73-S76 CarbonylContact O-C 3.6Å; Y73-S76 WeakPolarHBondContact O-CB 3.35Å; Y73-S76 PolarHBondContact O-N 2.95Å; Y73-S76 VanDerWaalsContact O-N 3.1Å; W74-S76 VanDerWaalsContact C-N 3.27Å; W74-S76 PolarHBondContact O-N 3.42Å; S76-K79 PolarHBondContact O-N 3.14Å; S76-K80 WeakPolarHBondContact O-CG 3.39Å; S76-K80 PolarHBondContact O-N 3.43Å
77L88.1Confident83.2Confident25 Ų2586.2 Ų86.213%0.13140%0.401CS..Hα-helixtrans-65.9-42.5176.5-174.5148.8000112.1V45 Y73 W74 K80 K81V45-L77 HydrophobicContact CG2-CD1 4.31Å; Y73-L77 HydrophobicContact CE1-CD1 3.89Å; Y73-L77 WeakPolarHBondContact O-CB 3.28Å; Y73-L77 PolarHBondContact O-N 2.75Å; Y73-L77 WeakPolarHBondContact OH-CD1 3.43Å; W74-L77 PolarHBondContact O-N 2.74Å; L77-K80 PolarHBondContact O-N 3.32Å; L77-K81 HydrophobicContact CD2-CD 3.88Å; L77-K81 HydrophobicContact CD2-CG 4.41Å; L77-K81 PolarHBondContact O-N 3.17Å
78I83.1Confident81.5Confident57 Ų5791.1 Ų91.129%0.29242%0.422SS..Hα-helixtrans-61.4-45.6173.7-70.1173.8000110.4W74 K80 K81 K82W74-I78 VanDerWaalsContact CD1-CD1 3.5Å; W74-I78 HydrophobicContact CD2-CD1 4.47Å; W74-I78 HydrophobicContact CG-CD1 4.35Å; W74-I78 HydrophobicContact CZ2-CD1 4.29Å; W74-I78 WeakPolarHBondContact O-CG1 3.04Å; W74-I78 PolarHBondContact O-N 2.82Å; I78-K80 VanDerWaalsContact C-N 3.29Å; I78-K80 PolarHBondContact O-N 3.28Å; I78-K81 PolarHBondContact O-N 3.37Å; I78-K81 VanDerWaalsContact O-N 3.16Å; I78-K82 HydrophobicContact CG2-CD 4.25Å; I78-K82 HydrophobicContact CG2-CG 4.43Å; I78-K82 WeakPolarHBondContact O-CG 3.42Å; I78-K82 PolarHBondContact O-N 2.9Å
79K77.6Confident79.7Confident137 Ų13793.9 Ų93.960%0.59644%0.444SS*.Hα-helixtrans-57.9-42.8176.6-74.8173.2-179.3-177.90111.1N75 S76 K82 K83N75-K79 WeakPolarHBondContact O-CB 3.39Å; N75-K79 VanDerWaalsContact O-CG 3.25Å; N75-K79 WeakPolarHBondContact O-CG 3.44Å; N75-K79 PolarHBondContact O-N 3.17Å; S76-K79 PolarHBondContact O-N 3.14Å; K79-K82 PolarHBondContact O-N 3.39Å; K79-K83 WeakPolarHBondContact O-CG 3.48Å; K79-K83 PolarHBondContact O-N 3.13Å
80K80.1Confident78.1Confident140 Ų140100.3 Ų100.361%0.60948%0.476SS*.Hα-helixtrans-61.1-43.6174.7-73.2177.8-179.8-179.80112S76 L77 I78 K83 K84S76-K80 WeakPolarHBondContact O-CG 3.39Å; S76-K80 PolarHBondContact O-N 3.43Å; L77-K80 PolarHBondContact O-N 3.32Å; I78-K80 VanDerWaalsContact C-N 3.29Å; I78-K80 PolarHBondContact O-N 3.28Å; K80-K83 PolarHBondContact O-N 3.13Å; K80-K84 WeakPolarHBondContact O-CG 3.38Å; K80-K84 PolarHBondContact O-N 3.13Å
81K75.2Confident76.2Confident121 Ų121105.8 Ų105.853%0.52651%0.505SS..Hα-helixtrans-63.8-40.1177-75-179.4174.61740112.8L77 I78 K84 K85L77-K81 HydrophobicContact CD2-CD 3.88Å; L77-K81 HydrophobicContact CD2-CG 4.41Å; L77-K81 PolarHBondContact O-N 3.17Å; I78-K81 PolarHBondContact O-N 3.37Å; I78-K81 VanDerWaalsContact O-N 3.16Å; K81-K84 PolarHBondContact O-N 2.96Å; K81-K85 PolarHBondContact O-N 3.32Å
82K70.2Confident74.2Confident138 Ų138109.8 Ų109.860%0.654%0.535SS*.Hα-helixtrans-63.3-45.3175.6-70.2-178.2178.5-175.60111.4I78 K79 K84 K85 L86I78-K82 HydrophobicContact CG2-CD 4.25Å; I78-K82 HydrophobicContact CG2-CG 4.43Å; I78-K82 WeakPolarHBondContact O-CG 3.42Å; I78-K82 PolarHBondContact O-N 2.9Å; K79-K82 PolarHBondContact O-N 3.39Å; K82-K84 VanDerWaalsContact C-N 3.34Å; K82-K84 PolarHBondContact O-N 3.08Å; K82-K85 PolarHBondContact O-N 2.93Å; K82-L86 WeakPolarHBondContact O-CD1 3.21Å; K82-L86 PolarHBondContact O-N 3.01Å
83K71.9Confident71.8Confident146 Ų146109.3 Ų109.364%0.63555%0.548SS*.Hα-helixtrans-61.1-38.3176.6-71.5-177.3179.1-172.80113K79 K80 K85 L86 K87K79-K83 WeakPolarHBondContact O-CG 3.48Å; K79-K83 PolarHBondContact O-N 3.13Å; K80-K83 PolarHBondContact O-N 3.13Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 2.92Å; K83-L86 PolarHBondContact O-N 3.08Å; K83-K87 PolarHBondContact O-N 3.02Å; K83-K87 VanDerWaalsContact O-N 3.08Å
84K70.1Confident69.1Low150 Ų150110.8 Ų110.865%0.65258%0.575SS**Hα-helixtrans-62.2-39.4175.8-73.1-175.2178.5-169.90112.3K80 K81 K82 K87 Q88K80-K84 WeakPolarHBondContact O-CG 3.38Å; K80-K84 PolarHBondContact O-N 3.13Å; K81-K84 PolarHBondContact O-N 2.96Å; K82-K84 VanDerWaalsContact C-N 3.34Å; K82-K84 PolarHBondContact O-N 3.08Å; K84-K87 PolarHBondContact O-N 3.2Å; K84-Q88 WeakPolarHBondContact O-CG 3.49Å; K84-Q88 PolarHBondContact O-N 2.98Å; K84-Q88 VanDerWaalsContact O-N 3.13Å
85K65.8Low66.5Low162 Ų162113.3 Ų113.370%0.70461%0.61SS**Hα-helixtrans-65.8-36.8176.1-68.9-170.6174.6-167.40112.9K81 K82 K83K81-K85 PolarHBondContact O-N 3.32Å; K82-K85 PolarHBondContact O-N 2.93Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 2.92Å
86L62.8Low63.8Low119 Ų119114 Ų11462%0.62363%0.634SS**Hα-helixtrans-69.9-34.8176.6-78142.6000113K82 K83 S89K82-L86 WeakPolarHBondContact O-CD1 3.21Å; K82-L86 PolarHBondContact O-N 3.01Å; K83-L86 PolarHBondContact O-N 3.08Å; L86-S89 PolarHBondContact O-OG 2.94Å
87K60.4Low61.4Low154 Ų154113.2 Ų113.267%0.6764%0.635SS**Hα-helixtrans-73.2-37177-72.8-170.2171.6-164.60112.6K83 K84 S89 M90 D91K83-K87 PolarHBondContact O-N 3.02Å; K83-K87 VanDerWaalsContact O-N 3.08Å; K84-K87 PolarHBondContact O-N 3.2Å; K87-S89 PolarHBondContact O-N 2.87Å; K87-M90 PolarHBondContact O-N 2.74Å; K87-M90 VanDerWaalsContact O-N 3.11Å; K87-D91 PolarHBondContact O-N 2.9Å
88Q57.8Low59.1Low157 Ų157120 Ų12073%0.73467%0.672SS**Hα-helixtrans-66.6-22.4178.7-75.5178.3-20.500113.5K84 M90K84-Q88 WeakPolarHBondContact O-CG 3.49Å; K84-Q88 PolarHBondContact O-N 2.98Å; K84-Q88 VanDerWaalsContact O-N 3.13Å; Q88-M90 VanDerWaalsContact C-N 3.34Å
89S57.4Low57.2Low90 Ų90126.5 Ų126.563%0.62969%0.694SS**THydrogen-bonded Turntrans-82.9-5173.850.10000114.5L86 K87L86-S89 PolarHBondContact O-OG 2.94Å; K87-S89 PolarHBondContact O-N 2.87Å
90M60.3Low56Low174 Ų174127.9 Ų127.986%0.85770%0.702SS**THydrogen-bonded Turntrans-118.5-8.5-177.3-79.5-179.4173.600114.4K87 Q88K87-M90 PolarHBondContact O-N 2.74Å; K87-M90 VanDerWaalsContact O-N 3.11Å; Q88-M90 VanDerWaalsContact C-N 3.34Å
91D55.4Low54.5Low116 Ų116129.9 Ų129.962%0.6271%0.713SS**  trans-108.671.3-176.1-168.818.9000111.4K87K87-D91 PolarHBondContact O-N 2.9Å
92T53.1Low52.9Low146 Ų146127.8 Ų127.890%0.89671%0.714SS**SBendtrans-113.660.7157.1-33.70000106.3
93G44Very low52.1Low65 Ų65127.8 Ų127.867%0.6772%0.72SS**SBendtrans170.277.8-176.200000114.8
94G39.1Very low51.1Low70 Ų70126.9 Ų126.972%0.72273%0.729SS**  trans92.3115.914500000117.7
95G38.9Very low49.7Very low82 Ų82122.3 Ų122.385%0.84573%0.725SS**  87.6104.712800000117.9
96G36.6Very low49.6Very low85 Ų85121 Ų12188%0.87673%0.733SS**  54.8115.2128.600000119.4
97G41.8Very low48.7Very low44 Ų44123.6 Ų123.645%0.45474%0.742SS.*  trans170.8103.1159.500000112.4Y99G97-Y99 VanDerWaalsContact O-CD2 3.22Å; G97-Y99 WeakPolarHBondContact O-CD2 3.27Å; G97-Y99 WeakPolarHBondContact O-CE2 3.46Å; G97-Y99 VanDerWaalsContact O-CZ 3.31Å; G97-Y99 PolarHBondContact O-N 2.89Å
98D39.7Very low48.4Very low167 Ų167121.9 Ų121.989%0.89375%0.746SS**  trans-48.6125.7165.7-74.9-70.4000111.7
99Y43.6Very low47.9Very low193 Ų193123 Ų12376%0.75775%0.752SS**  trans-119.584.9167.1-43.6-74.2000108.9G97 Q101G97-Y99 VanDerWaalsContact O-CD2 3.22Å; G97-Y99 WeakPolarHBondContact O-CD2 3.27Å; G97-Y99 WeakPolarHBondContact O-CE2 3.46Å; G97-Y99 VanDerWaalsContact O-CZ 3.31Å; G97-Y99 PolarHBondContact O-N 2.89Å; Y99-Q101 VanDerWaalsContact C-N 3.3Å; Y99-Q101 PolarHBondContact O-N 3.15Å
100H51.5Low47.8Very low167 Ų167123.9 Ų123.977%0.77376%0.755SS**  trans-64.793.4157.4-174.4-94.9000107.7S102H100-S102 PolarHBondContact CE1-OG 3.42Å; H100-S102 PolarHBondContact ND1-OG 2.98Å; H100-S102 PolarHBondContact O-N 3.13Å
101Q49.1Very low47.3Very low181 Ų181123.5 Ų123.585%0.84675%0.751SS**  trans-85.674.8176.4-161118.766.200109Y99 L103Y99-Q101 VanDerWaalsContact C-N 3.3Å; Y99-Q101 PolarHBondContact O-N 3.15Å; Q101-L103 PolarHBondContact O-N 2.99Å
102S42.3Very low47.3Very low77 Ų77124.6 Ų124.654%0.53876%0.761SS.*  trans-51125.4156.8-64.10000108.2H100H100-S102 PolarHBondContact CE1-OG 3.42Å; H100-S102 PolarHBondContact ND1-OG 2.98Å; H100-S102 PolarHBondContact O-N 3.13Å
103L52.8Low46.9Very low138 Ų138124.6 Ų124.672%0.72375%0.751SS**  trans-56.8139.7160.6-68163000107.7Q101 G105Q101-L103 PolarHBondContact O-N 2.99Å; L103-G105 PolarHBondContact O-N 3.03Å
104P51.6Low47.2Very low128 Ų128132.2 Ų132.283%0.83176%0.76SS**  trans-63108.2166.727.2-29.3000106.2
105G40.4Very low47.8Very low54 Ų54135.3 Ų135.356%0.55777%0.765SS**PPolyproline II helixtrans-57.8154.516500000108.9L103 E107L103-G105 PolarHBondContact O-N 3.03Å; G105-E107 PolarHBondContact O-N 2.81Å
106P62.8Low48Very low134 Ų134136.1 Ų136.187%0.8776%0.764SS**PPolyproline II helixtrans-55.2116170.824.7-31.6000107.8
107E45.2Very low48.5Very low174 Ų174136.8 Ų136.881%0.81376%0.761SS**PPolyproline II helixtrans-52.6133.2169.7-172.5176.7167.100108G105 E109G105-E107 PolarHBondContact O-N 2.81Å; E107-E109 PolarHBondContact O-N 2.72Å; E107-E109 VanDerWaalsContact O-N 3.15Å
108P52.2Low49Very low118 Ų118143.4 Ų143.477%0.76678%0.779SS**PPolyproline II helixtrans-61.8120.1-179.424.6-32.3000109.5
109E48.2Very low49.4Very low181 Ų181143.8 Ų143.885%0.84678%0.776SS**PPolyproline II helixtrans-54.1137.8170.1-68.5-104.2148.900109.2E107 E111E107-E109 PolarHBondContact O-N 2.72Å; E107-E109 VanDerWaalsContact O-N 3.15Å; E109-E111 PolarHBondContact O-N 3.19Å
110P56.2Low49.5Very low108 Ų108138.1 Ų138.170%0.70178%0.776SS**PPolyproline II helixtrans-67.2124.9-166.626.3-34.2000112.1V112P110-V112 PolarHBondContact O-N 2.73Å
111E48Very low49.5Very low165 Ų165135.9 Ų135.977%0.77178%0.779SS**  trans-58.3107.9167.1-68-173149.100109.9E109 H113E109-E111 PolarHBondContact O-N 3.19Å; E111-H113 VanDerWaalsContact C-N 3.28Å; E111-H113 PolarHBondContact O-N 2.92Å; E111-H113 IonicContact OE2-CD2 3.55Å; E111-H113 IonicContact OE2-NE2 3.38Å
112V55.6Low49.6Very low139 Ų139132.2 Ų132.284%0.84277%0.773SS**  trans-79.282.8170.6-176.60000108.5P110P110-V112 PolarHBondContact O-N 2.73Å
113H45.5Very low49.9Very low147 Ų147132.7 Ų132.768%0.68178%0.782SS**  trans-83.4117.9155.9-75.5-88.7000108.8E111E111-H113 VanDerWaalsContact C-N 3.28Å; E111-H113 PolarHBondContact O-N 2.92Å; E111-H113 IonicContact OE2-CD2 3.55Å; E111-H113 IonicContact OE2-NE2 3.38Å
114R50.9Low49.4Very low225 Ų225129.1 Ų129.185%0.84978%0.778SS**  trans-176.393153.1-97.4154.8-148.3-157.37.7107.8
115T51.1Low49.7Very low135 Ų135131.1 Ų131.183%0.82878%0.779SS**  58.9118.4100600000114
116A42.9Very low50.5Low99 Ų99139.1 Ų139.182%0.81879%0.794SS**  trans-57.2166.6179.600000115.3
117A48.1Very low50.1Low99 Ų99138.7 Ų138.782%0.81879%0.788SS**  trans80.7111.3170.300000115.8
118H51.5Low50.7Low183 Ų183136.2 Ų136.285%0.84779%0.786SS**  178.2135.488.6-170.9-98000109.6
119E47.5Very low51Low175 Ų175136.4 Ų136.482%0.81879%0.785SS**  trans-70.8159.8179.5-55.3-179.716900111.4
120G46.6Very low51.1Low73 Ų73131.7 Ų131.775%0.75378%0.784SS**  trans12299.4153.100000117.2
121S51.8Low51.2Low120 Ų120133 Ų13384%0.83979%0.791SS**  74.9115.9115.5-148.80000120.8
122S49.8Very low51.5Low104 Ų104129 Ų12973%0.72779%0.793SS**  84.6107.2124.9-176.70000120.7
123A48.6Very low51.5Low88 Ų88129.2 Ų129.273%0.72779%0.785SS**  67.6114.5129.100000120.9
124G44.2Very low51.9Low62 Ų62130.3 Ų130.364%0.63979%0.794SS**  118.6142.7111.200000118.1
125M56.8Low52.1Low170 Ų170125.2 Ų125.284%0.83778%0.784SS**  trans78128145.9-12.4-156.2171.600113.3
126Y56.8Low51.9Low223 Ų223125.4 Ų125.488%0.87579%0.785SS**  cis-165.5169.341.543.5-92.6000112
127T53.9Low52.6Low124 Ų124125.6 Ų125.676%0.76178%0.78SS**  trans-82.6157-171.350.80000116.5
128T59.7Low52.5Low123 Ų123129.9 Ų129.976%0.75578%0.783SS**  177.8115.3124-111.50000111.1
129T57.5Low52.4Low122 Ų122127.8 Ų127.875%0.74878%0.783SS**  78.312087.5-26.30000115.3
130G51.3Low52.2Low81 Ų81129.8 Ų129.884%0.83578%0.783SS**  trans177.790.2170.500000112.6
131T56.7Low52.4Low136 Ų136132.6 Ų132.683%0.83479%0.785SS**  trans-84.2155.7-160.7-16.60000115.2
132G54.5Low52.3Low80 Ų80133 Ų13383%0.82577%0.774SS**  trans-173.484166.200000112.8
133H55.2Low52.3Low145 Ų145135.5 Ų135.567%0.67177%0.774SS**  trans-93.9137.7-177.1176.1-90.2000111.1D135H133-D135 IonicContact CE1-OD2 3.36Å; H133-D135 PolarHBondContact CE1-OD2 3.26Å
134I55.3Low51.9Low170 Ų170135.4 Ų135.487%0.87278%0.781SS**  trans-134.4121.9157.96.8170.7000108.2
135D53.6Low51.8Low117 Ų117135.7 Ų135.763%0.62679%0.785SS**  trans-77.1148-173.7-146.2-39.5000111.1H133H133-D135 IonicContact CE1-OD2 3.36Å; H133-D135 PolarHBondContact CE1-OD2 3.26Å
136T47.3Very low51.3Low140 Ų140133.8 Ų133.886%0.85978%0.783SS**  trans-122.5108.7171.124.70000107.5
137S57.4Low51Low103 Ų103129.1 Ų129.172%0.7278%0.778SS**  trans-133.6119.6166.559.70000110.1
138E46Very low50.5Low189 Ų189127.6 Ų127.688%0.88378%0.777SS**  trans1.2137.4155.3-60.8179.997.700118.8
139V49.7Very low50.2Low138 Ų138126.4 Ų126.484%0.83677%0.774SS**  -171.4121.1121.4145.40000110.9
140R44.2Very low50.2Low218 Ų218128.1 Ų128.182%0.82377%0.773SS**  trans10.8125.3146.1-160.5169.4-173.1142.5-0.4119.7
141V50.2Low50.2Low132 Ų132130.5 Ų130.580%0.877%0.767SS**  trans-85.1122.9166.5174.90000109.9
142E49.5Very low50Low129 Ų129132.5 Ų132.560%0.60377%0.773SS**  trans-150.5110.2155.4-65-75.679.800110
143H50Low49.9Very low155 Ų155135.6 Ų135.672%0.71877%0.77SS**  trans75.5113.4139.9-36.1-12.5000122.2
144G41Very low49.9Very low86 Ų86133.8 Ų133.889%0.88777%0.774SS**  92.5129.4126.800000119.4
145G41.5Very low50Low69 Ų69130.2 Ų130.271%0.71177%0.769SS**  trans107.591.514600000118.3
146T46.3Very low50.2Low130 Ų130131.7 Ų131.780%0.79878%0.777SS**  43.3137.8128.2-23.60000122.9
147T49.6Very low50.7Low125 Ų125133.1 Ų133.177%0.76777%0.774SS**  trans97.3111.914768.80000120.7
148A44.4Very low51Low91 Ų91133.8 Ų133.875%0.75278%0.776SS**  64.7127.1123.200000122.5
149S53.1Low51.8Low98 Ų98135 Ų13569%0.68577%0.772SS**  trans67.8113.1137.5-74.30000120.1
150H56.9Low52.7Low159 Ų159133.8 Ų133.874%0.73677%0.767SS**  165115.2113.4-80.3146.3000109.5
151N51.8Low53.9Low131 Ų131128.5 Ų128.570%0.70176%0.764SS**  77.2113112.1-58.5-14.9000113.6
152N53.3Low54.9Low178 Ų178127.7 Ų127.795%0.95276%0.761SS**  -148.9129.1126.5-91.5-28.9000110.4
153D52.3Low55.4Low144 Ų144129.1 Ų129.177%0.7777%0.772SS**  trans-92.2148.2-166.4-153-90.2000109.3
154S54.3Low55.8Low107 Ų107127.4 Ų127.475%0.74878%0.775SS**  trans56102150.6-66.10000120.5
155A57.8Low56.7Low95 Ų95132.5 Ų132.579%0.78578%0.775SS**  trans-155.8108.313500000111.8
156D56.7Low57.1Low148 Ų148136.5 Ų136.579%0.79178%0.78SS**  trans-35.3121.2167.7-171.725.2000115.1
157H59.2Low57.9Low171 Ų171136.1 Ų136.179%0.79278%0.78SS**  trans-127.6116.1163.3-80.99.4000109R159H157-R159 PolarHBondContact O-N 2.99Å
158P64.2Low58.7Low116 Ų116136.8 Ų136.875%0.75378%0.783SS**PPolyproline II helixtrans-67.7125.6-17925.9-32.4000110.7
159R62.9Low59.3Low214 Ų214141.9 Ų141.981%0.80879%0.789SS**PPolyproline II helixtrans-56.1132.7173.9-170.3177.4-162.9-95.93.4110.5H157 S161H157-R159 PolarHBondContact O-N 2.99Å; R159-S161 PolarHBondContact O-N 3.2Å
160P67.2Low59.5Low113 Ų113141 Ų14173%0.73479%0.787SS**PPolyproline II helixtrans-68.7127.3173.726.5-31.7000110.5
161S69.4Low59.3Low108 Ų108136.8 Ų136.876%0.75579%0.787SS**PPolyproline II helixtrans-61.9139.1174-57.10000111.4R159R159-S161 PolarHBondContact O-N 3.2Å
162P71.3Confident59.4Low114 Ų114138.7 Ų138.774%0.7479%0.791SS**PPolyproline II helixtrans-71.4133.1177.127.6-31000111.1
163L60Low59.5Low159 Ų159136.4 Ų136.483%0.83278%0.784SS**PPolyproline II helixtrans-63.8144.3173.7-71.1169.3000111Q165L163-Q165 PolarHBondContact O-N 2.71Å
164P59.6Low59.1Low119 Ų119135.6 Ų135.677%0.77378%0.779SS**PPolyproline II helixtrans-65.3124.7176.926.1-32.6000110.8L166P164-L166 PolarHBondContact O-N 2.94Å
165Q59.3Low59.4Low193 Ų193137.9 Ų137.990%0.90278%0.782SS**PPolyproline II helixtrans-68.9124.2173.6-64-178.551.800109.2L163L163-Q165 PolarHBondContact O-N 2.71Å
166L50.3Low59.2Low154 Ų154139.5 Ų139.581%0.80678%0.777SS**PPolyproline II helixtrans-72.7141.7170.3-68.7173.7000109.5P164 V168P164-L166 PolarHBondContact O-N 2.94Å; L166-V168 PolarHBondContact O-N 3.19Å
167P61.6Low59Low122 Ų122138 Ų13879%0.79278%0.776SS**PPolyproline II helixtrans-62.7121.6-176.923.8-32000111F169P167-F169 PolarHBondContact O-N 2.82Å
168V68Low58.2Low139 Ų139137.8 Ų137.884%0.84278%0.78SS**  trans-73.4106167.5177.70000107.1L166 A170L166-V168 PolarHBondContact O-N 3.19Å; V168-A170 PolarHBondContact O-N 2.82Å; V168-A170 VanDerWaalsContact O-N 3.12Å
169F55.8Low57.8Low198 Ų198136.9 Ų136.987%0.86878%0.783SS**  trans-78.893171.1-153.9-92.1000108.3P167 G171P167-F169 PolarHBondContact O-N 2.82Å; F169-G171 PolarHBondContact O-N 3.38Å
170A57Low57.3Low78 Ų78131 Ų13165%0.64578%0.78SS**  trans-74.1106.4167.200000108.2V168 Q172V168-A170 PolarHBondContact O-N 2.82Å; V168-A170 VanDerWaalsContact O-N 3.12Å; A170-Q172 PolarHBondContact O-N 3.06Å; A170-Q172 VanDerWaalsContact O-N 3.16Å
171G54.1Low56.8Low71 Ų71131.5 Ų131.573%0.73278%0.78SS**  trans-72100.9168.900000110F169F169-G171 PolarHBondContact O-N 3.38Å
172Q53.5Low56.1Low171 Ų171136.4 Ų136.480%0.79978%0.782SS**  trans-107.6107.6155.1-81.4-179-75.900107.5A170A170-Q172 PolarHBondContact O-N 3.06Å; A170-Q172 VanDerWaalsContact O-N 3.16Å
173V54.8Low55.2Low130 Ų130138.2 Ų138.279%0.78879%0.786SS**  trans-107.591152.7-1790000104.9L175V173-L175 HydrophobicContact CG1-CD1 3.87Å; V173-L175 HydrophobicContact CG1-CG 4.27Å
174L44.7Very low54.7Low127 Ų127134.5 Ų134.567%0.66579%0.786SS**  trans-93.5106.3161.4178.668.3000105.4
175L59.5Low54Low155 Ų155137.2 Ų137.281%0.81279%0.789SS**  trans-119106.1163.8-80.7159.3000105.8V173V173-L175 HydrophobicContact CG1-CD1 3.87Å; V173-L175 HydrophobicContact CG1-CG 4.27Å
176D54.2Low53.8Low130 Ų130136.9 Ų136.970%0.69579%0.787SS**  trans-67.1160.8175.8-86-47.6000112.2
177P52.9Low53.6Low116 Ų116136.3 Ų136.375%0.75379%0.79SS**  trans-98.9175.5-15339.1-33000112.9
178D42.1Very low53.1Low166 Ų166135 Ų13589%0.88879%0.79SS**  trans90.786.8167.2-150.444.1000116.6
179A55.2Low52.6Low98 Ų98132.9 Ų132.981%0.8179%0.787SS**  trans-154.3112.4155.700000111.7
180A53Low52.4Low91 Ų91129.5 Ų129.575%0.75279%0.785SS**  trans73.882.8144.500000120
181V57.6Low52.3Low122 Ų122130.4 Ų130.474%0.73979%0.792SS**  32.5115.3104.2172.20000117.8
182R54.4Low52Low211 Ų211135.9 Ų135.980%0.79680%0.799SS**  trans106.6118.1132.9-87.1173.6161.5143-2.3121.9
183N52.7Low51.8Low152 Ų152132.3 Ų132.381%0.81380%0.798SS**  trans90.3120139.7-55.1-21.4000117.8
184G47.5Very low51.5Low82 Ų82131.5 Ų131.585%0.84580%0.799SS**  trans155.479.3162.500000115
185E45.9Very low51.7Low176 Ų176130.3 Ų130.382%0.82280%0.801SS**  trans-55.9130.9171-174.5152.98600113.7
186Q55.6Low51.3Low185 Ų185130.9 Ų130.986%0.86480%0.804SS**  trans176.6106.6134.2-96155.790.400113.7
187T46.1Very low51.2Low143 Ų143129.3 Ų129.388%0.87780%0.803SS**  trans7112.9138.7-50.40000118.8
188A50.2Low51.1Low95 Ų95130.8 Ų130.879%0.78580%0.804SS**  trans-170.6116.7142.500000113.2
189A58.8Low51.8Low93 Ų93129.8 Ų129.877%0.76980%0.797SS**  trans52.1128.6151.200000121.7A191A189-A191 PolarHBondContact O-N 3.37Å; A189-A191 VanDerWaalsContact O-N 3.13Å
190P50.9Low51.6Low128 Ų128130.4 Ų130.483%0.83179%0.793SS**  trans-74.3106.3169.231.5-30.4000109.6Q192P190-Q192 PolarHBondContact O-N 3.08Å
191A54.6Low51Low97 Ų97133.4 Ų133.480%0.80279%0.789SS**  trans-63.6116.4163.400000108A189 A193A189-A191 PolarHBondContact O-N 3.37Å; A189-A191 VanDerWaalsContact O-N 3.13Å; A191-A193 PolarHBondContact O-N 3.39Å
192Q47.7Very low50.6Low185 Ų185132.5 Ų132.586%0.86479%0.786SS**  trans-58.9101.5174.8-61.5-176.740.900108.3P190 S194P190-Q192 PolarHBondContact O-N 3.08Å; Q192-S194 VanDerWaalsContact C-N 3.33Å; Q192-S194 PolarHBondContact O-N 3.48Å
193A48.7Very low50.3Low96 Ų96132.4 Ų132.479%0.79379%0.791SS**  trans-63.6101.5164.800000106.4A191 S195A191-A193 PolarHBondContact O-N 3.39Å; A193-S195 PolarHBondContact O-N 3.15Å
194S49.9Very low50Low114 Ų114129.7 Ų129.780%0.79778%0.784SS**  trans-6287.2163.8-61.50000107.4Q192 L196Q192-S194 VanDerWaalsContact C-N 3.33Å; Q192-S194 PolarHBondContact O-N 3.48Å; S194-L196 PolarHBondContact O-N 3.22Å
195S47.8Very low50.3Low102 Ų102134.1 Ų134.171%0.71378%0.775SS**  trans-49106.5162.5175.40000106.9A193 S197A193-S195 PolarHBondContact O-N 3.15Å; S195-S197 PolarHBondContact O-N 2.83Å
196L51.8Low50.7Low167 Ų167132.4 Ų132.487%0.87477%0.767SS**  trans-62.891.4162-75.6173.6000105.6S194 L198S194-L196 PolarHBondContact O-N 3.22Å; L196-L198 PolarHBondContact O-N 3.2Å
197S52.6Low50.5Low97 Ų97131.3 Ų131.368%0.67876%0.764SS**  trans-55108.5167.3490000106.6S195 I199S195-S197 PolarHBondContact O-N 2.83Å; S197-I199 VanDerWaalsContact C-N 3.32Å; S197-I199 PolarHBondContact O-N 3.05Å
198L50.3Low51.3Low147 Ų147129 Ų12977%0.7775%0.747SS**  trans-62.1100.6173.7-170.771.3000105.6L196 P200L196-L198 PolarHBondContact O-N 3.2Å; L198-P200 WeakPolarHBondContact O-CD 3.27Å
199I57.4Low52.1Low144 Ų144126.4 Ų126.474%0.73872%0.718SS**  trans-50.2115176.5-59.3171.6000106.3S197 F201S197-I199 VanDerWaalsContact C-N 3.32Å; S197-I199 PolarHBondContact O-N 3.05Å; I199-F201 PolarHBondContact O-N 3Å
200P51.1Low52.4Low112 Ų112126.6 Ų126.673%0.72771%0.709SS**  trans-59.1126.2-177.3-22.132000108.8L198 P202L198-P200 WeakPolarHBondContact O-CD 3.27Å; P200-P202 VanDerWaalsContact O-CD 3.29Å; P200-P202 WeakPolarHBondContact O-CD 3.29Å
201F39.2Very low53.3Low154 Ų154126.5 Ų126.568%0.67570%0.697SS**  trans-58119.4170.6-84.5-88.6000108.4I199 K203I199-F201 PolarHBondContact O-N 3Å; F201-K203 PolarHBondContact O-N 3.33Å
202P49.9Very low54.4Low103 Ų103125.6 Ų125.667%0.66968%0.677SS**  trans-66.5109.2174.926-31.7000108.6P200 S204P200-P202 VanDerWaalsContact O-CD 3.29Å; P200-P202 WeakPolarHBondContact O-CD 3.29Å; P202-S204 PolarHBondContact O-N 3.2Å
203K47.3Very low55.7Low208 Ų208119.4 Ų119.490%0.90465%0.646SS**THydrogen-bonded Turntrans-78.117178.8-85.7-173.6175.5179.70114.1F201F201-K203 PolarHBondContact O-N 3.33Å
204S47.1Very low57.1Low95 Ų95118.3 Ų118.366%0.66463%0.629SS**THydrogen-bonded Turntrans-13711.2-167.847.10000116.5P202 E206P202-S204 PolarHBondContact O-N 3.2Å; S204-E206 PolarHBondContact O-N 3.28Å; S204-E206 VanDerWaalsContact O-N 3.15Å
205R53.6Low58.4Low175 Ų175118.4 Ų118.466%0.6662%0.617SS**THydrogen-bonded Turntrans-72.1-1.9174.5-157.3176.6-179.91587.8113.8D30 M207D30-R205 IonicContact OD2-NH2 3.9Å; R205-M207 PolarHBondContact O-N 3.12Å
206E54.9Low59.8Low140 Ų140116.5 Ų116.565%0.65460%0.596SS**THydrogen-bonded Turntrans-81-9.1-172.6-68.5-150122.100115.6R20 S204R20-E206 IonicContact NH2-OE1 3.99Å; R20-E206 PolarHBondContact NH2-OE1 3.13Å; R20-E206 VanDerWaalsContact NH2-OE1 3.08Å; S204-E206 PolarHBondContact O-N 3.28Å; S204-E206 VanDerWaalsContact O-N 3.15Å
207M50Low61.1Low162 Ų162111.7 Ų111.780%0.79857%0.571SS**SBendtrans-111.83-166.6-69.4-64.3-75.200118R205R205-M207 PolarHBondContact O-N 3.12Å
208N63.4Low62.3Low96 Ų96110.8 Ų110.851%0.51356%0.561SS.*SBendtrans-109.911.5175.5-66.7-29.4000114.1E212N208-E212 HydrophobicContact CB-CG 4.27Å; N208-E212 WeakPolarHBondContact O-CB 3.16Å; N208-E212 WeakPolarHBondContact O-CG 3.26Å; N208-E212 PolarHBondContact O-N 3.37Å
209F66.4Low63.5Low39 Ų39106.8 Ų106.817%0.17155%0.545CS..Hα-helixtrans-62.3-51.6-171170.1-91.4000113.7R20 W23 E211 Y213R20-F209 HydrophobicContact CB-CE1 4.32Å; R20-F209 HydrophobicContact CB-CE2 4.2Å; R20-F209 HydrophobicContact CB-CZ 3.98Å; R20-F209 HydrophobicContact CG-CD2 4.13Å; R20-F209 HydrophobicContact CG-CE1 4.41Å; R20-F209 HydrophobicContact CG-CE2 3.81Å; R20-F209 HydrophobicContact CG-CZ 4.06Å; W23-F209 HydrophobicContact CB-CE2 3.46Å; W23-F209 VanDerWaalsContact CB-CE2 3.46Å; W23-F209 HydrophobicContact CB-CZ 3.81Å; W23-F209 AromaticContact CD1-CD2 3.47Å; W23-F209 VanDerWaalsContact CD1-CD2 3.47Å; W23-F209 AromaticContact CD1-CE2 3.17Å; W23-F209 HydrophobicContact CG-CD2 4.14Å; W23-F209 AromaticContact CG-CE2 3.43Å; W23-F209 HydrophobicContact CG-CE2 3.43Å; W23-F209 VanDerWaalsContact CG-CE2 3.43Å; W23-F209 HydrophobicContact CG-CZ 4.09Å; F209-E211 VanDerWaalsContact C-N 3.34Å; F209-Y213 VanDerWaalsContact O-CB 3.3Å; F209-Y213 WeakPolarHBondContact O-CB 3.25Å; F209-Y213 PolarHBondContact O-N 3.35Å
210V66.1Low64.3Low98 Ų98103.4 Ų103.459%0.59453%0.528SS*.Hα-helixtrans-69.5-41-176.3-178.10000109.3Y213 V214V210-Y213 PolarHBondContact O-N 3.45Å; V210-V214 HydrophobicContact CG1-CG2 4.07Å; V210-V214 VanDerWaalsContact O-CB 3.26Å; V210-V214 WeakPolarHBondContact O-CB 3.3Å; V210-V214 WeakPolarHBondContact O-CG2 3.2Å; V210-V214 PolarHBondContact O-N 2.85Å
211E70.1Confident65.4Low125 Ų125101.2 Ų101.258%0.58452%0.516SS*.Hα-helixtrans-58.1-53.2175.2-72.1-98.7159.100111.5F209 Y213 V214 Q215F209-E211 VanDerWaalsContact C-N 3.34Å; E211-Y213 PolarHBondContact O-N 3.43Å; E211-V214 PolarHBondContact O-N 2.85Å; E211-Q215 VanDerWaalsContact O-CB 3.26Å; E211-Q215 WeakPolarHBondContact O-CB 3.38Å; E211-Q215 WeakPolarHBondContact O-CG 3.37Å; E211-Q215 PolarHBondContact O-N 2.72Å
212E76.4Confident66.9Low79 Ų7998.4 Ų98.437%0.36951%0.508SS..Hα-helixtrans-65.1-38.6179.4-74.9-177.9-163.100112.3W23 N208 F216W23-E212 HydrophobicContact CZ2-CB 4.05Å; N208-E212 HydrophobicContact CB-CG 4.27Å; N208-E212 WeakPolarHBondContact O-CB 3.16Å; N208-E212 WeakPolarHBondContact O-CG 3.26Å; N208-E212 PolarHBondContact O-N 3.37Å; E212-F216 VanDerWaalsContact O-CB 3.25Å; E212-F216 WeakPolarHBondContact O-CB 3.34Å; E212-F216 PolarHBondContact O-N 2.83Å
213Y75.5Confident67.7Low54 Ų5498.1 Ų98.121%0.21250%0.501CS..Hα-helixtrans-66.9-44.2176.6-179.8-117.7000111.9C19 W23 L27 F209 V210 E211 F216 L217C19-Y213 VanDerWaalsContact SG-CE1 3.57Å; W23-Y213 HydrophobicContact CD2-CD2 4.08Å; W23-Y213 AromaticContact CE3-CD2 3.41Å; W23-Y213 HydrophobicContact CE3-CD2 3.41Å; W23-Y213 VanDerWaalsContact CE3-CD2 3.41Å; W23-Y213 HydrophobicContact CE3-CE2 4.15Å; W23-Y213 HydrophobicContact CE3-CG 4.35Å; W23-Y213 AromaticContact CZ3-CD2 3.85Å; W23-Y213 HydrophobicContact CZ3-CD2 3.85Å; L27-Y213 HydrophobicContact CD1-CE2 4.14Å; F209-Y213 VanDerWaalsContact O-CB 3.3Å; F209-Y213 WeakPolarHBondContact O-CB 3.25Å; F209-Y213 PolarHBondContact O-N 3.35Å; V210-Y213 PolarHBondContact O-N 3.45Å; E211-Y213 PolarHBondContact O-N 3.43Å; Y213-F216 PolarHBondContact O-N 2.98Å; Y213-L217 HydrophobicContact CD1-CD1 4.06Å; Y213-L217 HydrophobicContact CD2-CG 4.42Å; Y213-L217 HydrophobicContact CE1-CD1 3.47Å; Y213-L217 VanDerWaalsContact CE1-CD1 3.47Å; Y213-L217 HydrophobicContact CE1-CG 4.21Å; Y213-L217 HydrophobicContact CE2-CD1 4.16Å; Y213-L217 HydrophobicContact CE2-CD2 4.19Å; Y213-L217 HydrophobicContact CE2-CG 4.04Å; Y213-L217 WeakPolarHBondContact O-CG 3.46Å; Y213-L217 PolarHBondContact O-N 3.04Å
214V78.1Confident68.2Low73 Ų7394.6 Ų94.644%0.44249%0.491SS..Hα-helixtrans-65.9-44.4176.8170.90000109.9V210 E211 F216 L217 V218V210-V214 HydrophobicContact CG1-CG2 4.07Å; V210-V214 VanDerWaalsContact O-CB 3.26Å; V210-V214 WeakPolarHBondContact O-CB 3.3Å; V210-V214 WeakPolarHBondContact O-CG2 3.2Å; V210-V214 PolarHBondContact O-N 2.85Å; E211-V214 PolarHBondContact O-N 2.85Å; V214-F216 VanDerWaalsContact C-N 3.3Å; V214-F216 PolarHBondContact O-N 3.35Å; V214-L217 PolarHBondContact O-N 2.94Å; V214-V218 HydrophobicContact CG1-CG2 4.25Å; V214-V218 WeakPolarHBondContact O-CB 3.36Å; V214-V218 VanDerWaalsContact O-CG2 3.23Å; V214-V218 WeakPolarHBondContact O-CG2 3.43Å; V214-V218 PolarHBondContact O-N 3.44Å
215Q77.1Confident68.7Low117 Ų11797 Ų9755%0.54750%0.495SS..Hα-helixtrans-59.6-40.2174.5-76.1175.921.300111.8E211 V218 S219E211-Q215 VanDerWaalsContact O-CB 3.26Å; E211-Q215 WeakPolarHBondContact O-CB 3.38Å; E211-Q215 WeakPolarHBondContact O-CG 3.37Å; E211-Q215 PolarHBondContact O-N 2.72Å; Q215-V218 PolarHBondContact O-N 2.93Å; Q215-S219 WeakPolarHBondContact O-CB 3.23Å; Q215-S219 PolarHBondContact O-N 3.33Å
216F77.9Confident68.7Low61 Ų6197.1 Ų97.127%0.26850%0.504SS..Hα-helixtrans-65.4-43.1174.7174.3-105000112.4W23 E212 Y213 V214 V218 S219 L220W23-F216 HydrophobicContact CH2-CB 3.72Å; W23-F216 HydrophobicContact CH2-CD1 4.28Å; W23-F216 AromaticContact CH2-CG 3.94Å; W23-F216 HydrophobicContact CH2-CG 3.94Å; W23-F216 HydrophobicContact CZ3-CB 3.86Å; W23-F216 AromaticContact CZ3-CD1 3.59Å; W23-F216 HydrophobicContact CZ3-CD1 3.59Å; W23-F216 HydrophobicContact CZ3-CE1 4.25Å; W23-F216 AromaticContact CZ3-CG 3.74Å; W23-F216 HydrophobicContact CZ3-CG 3.74Å; E212-F216 VanDerWaalsContact O-CB 3.25Å; E212-F216 WeakPolarHBondContact O-CB 3.34Å; E212-F216 PolarHBondContact O-N 2.83Å; Y213-F216 PolarHBondContact O-N 2.98Å; V214-F216 VanDerWaalsContact C-N 3.3Å; V214-F216 PolarHBondContact O-N 3.35Å; F216-V218 VanDerWaalsContact C-N 3.33Å; F216-S219 PolarHBondContact O-N 3.39Å; F216-L220 HydrophobicContact CD1-CD1 3.85Å; F216-L220 HydrophobicContact CE1-CD1 3.24Å; F216-L220 HydrophobicContact CE1-CG 4.18Å; F216-L220 HydrophobicContact CE2-CD1 4.1Å; F216-L220 HydrophobicContact CE2-CG 4.19Å; F216-L220 HydrophobicContact CZ-CD1 3.39Å; F216-L220 HydrophobicContact CZ-CD2 4.44Å; F216-L220 HydrophobicContact CZ-CG 3.94Å; F216-L220 PolarHBondContact O-N 2.85Å
217L79.3Confident68.3Low67 Ų67100.1 Ų100.135%0.35152%0.522SS..Hα-helixtrans-65.7-36.2175.4-71.6-177000112.3Y213 V214 L220 S221Y213-L217 HydrophobicContact CD1-CD1 4.06Å; Y213-L217 HydrophobicContact CD2-CG 4.42Å; Y213-L217 HydrophobicContact CE1-CD1 3.47Å; Y213-L217 VanDerWaalsContact CE1-CD1 3.47Å; Y213-L217 HydrophobicContact CE1-CG 4.21Å; Y213-L217 HydrophobicContact CE2-CD1 4.16Å; Y213-L217 HydrophobicContact CE2-CD2 4.19Å; Y213-L217 HydrophobicContact CE2-CG 4.04Å; Y213-L217 WeakPolarHBondContact O-CG 3.46Å; Y213-L217 PolarHBondContact O-N 3.04Å; V214-L217 PolarHBondContact O-N 2.94Å; L217-L220 HydrophobicContact CD2-CD1 4.49Å; L217-S221 WeakPolarHBondContact O-CB 3.26Å; L217-S221 PolarHBondContact O-N 2.8Å; L217-S221 PolarHBondContact O-OG 3.03Å
218V77.1Confident69.2Low77 Ų7797 Ų9747%0.46751%0.508SS..Hα-helixtrans-64-49.5173.41700000109.7V214 Q215 F216 L220 S221 D222V214-V218 HydrophobicContact CG1-CG2 4.25Å; V214-V218 WeakPolarHBondContact O-CB 3.36Å; V214-V218 VanDerWaalsContact O-CG2 3.23Å; V214-V218 WeakPolarHBondContact O-CG2 3.43Å; V214-V218 PolarHBondContact O-N 3.44Å; Q215-V218 PolarHBondContact O-N 2.93Å; F216-V218 VanDerWaalsContact C-N 3.33Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 PolarHBondContact O-N 2.91Å; V218-S221 WeakPolarHBondContact O-CA 3.44Å; V218-S221 WeakPolarHBondContact O-CB 3.46Å; V218-S221 PolarHBondContact O-N 3.39Å; V218-D222 PolarHBondContact O-N 3.27Å
219S74.8Confident69.5Low63 Ų6397.1 Ų97.144%0.44151%0.508SS..Hα-helixtrans-57.8-41.9176.4-1780000112.8Q215 F216 S221 D222 D223Q215-S219 WeakPolarHBondContact O-CB 3.23Å; Q215-S219 PolarHBondContact O-N 3.33Å; F216-S219 PolarHBondContact O-N 3.39Å; S219-S221 VanDerWaalsContact C-N 3.27Å; S219-S221 PolarHBondContact O-N 3.39Å; S219-D222 PolarHBondContact O-N 3.3Å; S219-D223 PolarHBondContact O-N 3.13Å; S219-D223 VanDerWaalsContact O-N 3.13Å
220L75.3Confident69.7Low73 Ų73100.3 Ų100.338%0.38253%0.527SS..Hα-helixtrans-65.8-30.3174.3-83.4171.2000112.9F216 L217 V218 L224F216-L220 HydrophobicContact CD1-CD1 3.85Å; F216-L220 HydrophobicContact CE1-CD1 3.24Å; F216-L220 HydrophobicContact CE1-CG 4.18Å; F216-L220 HydrophobicContact CE2-CD1 4.1Å; F216-L220 HydrophobicContact CE2-CG 4.19Å; F216-L220 HydrophobicContact CZ-CD1 3.39Å; F216-L220 HydrophobicContact CZ-CD2 4.44Å; F216-L220 HydrophobicContact CZ-CG 3.94Å; F216-L220 PolarHBondContact O-N 2.85Å; L217-L220 HydrophobicContact CD2-CD1 4.49Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 PolarHBondContact O-N 2.91Å; L220-L224 PolarHBondContact O-N 3.19Å
221S73.9Confident69.9Low67 Ų67100.4 Ų100.447%0.46952%0.523SS..Hα-helixtrans-75.7-36.4178.6-56.60000111.1L217 V218 S219 L224 L225L217-S221 WeakPolarHBondContact O-CB 3.26Å; L217-S221 PolarHBondContact O-N 2.8Å; L217-S221 PolarHBondContact O-OG 3.03Å; V218-S221 WeakPolarHBondContact O-CA 3.44Å; V218-S221 WeakPolarHBondContact O-CB 3.46Å; V218-S221 PolarHBondContact O-N 3.39Å; S219-S221 VanDerWaalsContact C-N 3.27Å; S219-S221 PolarHBondContact O-N 3.39Å; S221-L224 PolarHBondContact O-N 2.78Å; S221-L225 PolarHBondContact O-N 2.93Å
222D70.9Confident69.9Low95 Ų9598.9 Ų98.951%0.50852%0.519SS..Hα-helixtrans-66.7-43.6175.1-69.5-44.6000111.4V218 S219 L224 L225 E226V218-D222 PolarHBondContact O-N 3.27Å; S219-D222 PolarHBondContact O-N 3.3Å; D222-L224 PolarHBondContact O-N 3.25Å; D222-L225 PolarHBondContact O-N 3.42Å; D222-E226 PolarHBondContact O-N 3.34Å
223D66.7Low69.4Low97 Ų97100.2 Ų100.252%0.51953%0.529SS..Hα-helixtrans-61.8-27.9174.5-80.9-39.1000112.8S219 I227S219-D223 PolarHBondContact O-N 3.13Å; S219-D223 VanDerWaalsContact O-N 3.13Å; D223-I227 WeakPolarHBondContact O-CD1 3.38Å; D223-I227 WeakPolarHBondContact O-CG1 3.41Å
224L58.7Low69Low134 Ų134103.5 Ų103.570%0.70255%0.551SS**THydrogen-bonded Turntrans-83.5-10.7176.7-109.6132.1000113.6L220 S221 D222L220-L224 PolarHBondContact O-N 3.19Å; S221-L224 PolarHBondContact O-N 2.78Å; D222-L224 PolarHBondContact O-N 3.25Å
225L56.3Low68.3Low144 Ų144105.8 Ų105.875%0.75456%0.56SS**THydrogen-bonded Turntrans-98.7-12.5177-105.8143000112.9S221 D222S221-L225 PolarHBondContact O-N 2.93Å; D222-L225 PolarHBondContact O-N 3.42Å
226E53.3Low67.6Low179 Ų179104.9 Ų104.984%0.83656%0.561SS**  trans-97.27.5173.8-72.7-167.6160.200114.5D222D222-E226 PolarHBondContact O-N 3.34Å
227I46.8Very low66.6Low202 Ų202108.9 Ų108.9100%1.03659%0.588SS**  trans-109.90173.3-51.7169.5000110.1D223D223-I227 WeakPolarHBondContact O-CD1 3.38Å; D223-I227 WeakPolarHBondContact O-CG1 3.41Å

Retrieved 227 of 227 residues in 30 ms (Link to these results)