A0A087XEH7_POEFO Loading...

Zinc finger protein 414

AlphaFold DB , UniProt , Accession A0A087XEH7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 302 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
1M39.2Very low42Very low241 Ų241147.2 Ų147.2100%1.18784%0.839SS**  0119.50-43.3-175.1-166.600106.5
2M37Very low42.5Very low194 Ų194144.6 Ų144.696%0.95684%0.836SS**  trans63.1113.8168.7-64.3151.6147.200120.1
3S49.2Very low42.7Very low123 Ų123146.7 Ų146.786%0.8683%0.829SS**  trans-115.2150.7158.4-650000109.7
4P59.1Low42.4Very low132 Ų132146.9 Ų146.986%0.85783%0.828SS**  trans-102.7167.8176.238.7-30.3000112.6
5G41.2Very low42.8Very low79 Ų79148.5 Ų148.581%0.81483%0.826SS**  trans116.7135.1154.800000116.9
6E41.9Very low42.6Very low189 Ų189148.8 Ų148.888%0.88383%0.825SS**  trans-76.1173.6-162.9-59.8172.792.600117.1
7T38.4Very low43Very low118 Ų118144.5 Ų144.572%0.72482%0.823SS**  126.4105.6128.4-37.50000115
8V42.5Very low43Very low112 Ų112144 Ų14468%0.67982%0.823SS**  97.6132120.8133.20000122.9
9M38.4Very low43.1Very low142 Ų142144.9 Ų144.970%0.782%0.824SS**  trans84107.6150.5-58-93.2160.700118.8
10Q36.6Very low43.4Very low197 Ų197140.9 Ų140.992%0.92182%0.815SS**  -147.2113.4112.4-112.2164.329.900111.8
11S38.3Very low43.9Very low92 Ų92137.9 Ų137.964%0.64380%0.8SS**  trans-62.6131.3166.2-45.70000110.1
12S48.6Very low45.1Very low116 Ų116136.7 Ų136.781%0.81178%0.782SS**  trans-129.691.4152-69.30000106.9N14S12-N14 PolarHBondContact O-N 3.41Å
13K44.9Very low46.7Very low172 Ų172136.3 Ų136.375%0.74877%0.77SS**  trans-47.2126.2156.1-86.1172.3166.2176.20108
14N38.5Very low47.8Very low150 Ų150132.4 Ų132.480%0.80274%0.739SS**  trans-14295.7147.3-80.4-17.7000105.8S12S12-N14 PolarHBondContact O-N 3.41Å
15E48.1Very low48.6Very low171 Ų171131.7 Ų131.780%0.79973%0.727SS**  trans-9199.7170-45.8-151.8140.100106.1
16D40Very low50.3Low152 Ų152128.5 Ų128.581%0.81369%0.693SS**  trans-13797165.9-78-61.5000107.6V18D16-V18 PolarHBondContact O-N 3.33Å
17G49.3Very low51.9Low77 Ų77124.3 Ų124.379%0.79468%0.681SS**  trans-62121.8177.800000111.5
18V43.3Very low53.2Low135 Ų135121.5 Ų121.582%0.81866%0.661SS**  trans-130.191.3139.8178.10000105.1D16 G20D16-V18 PolarHBondContact O-N 3.33Å; V18-G20 PolarHBondContact O-N 2.76Å
19L45Very low53.7Low162 Ų162125.4 Ų125.485%0.84867%0.672SS**  trans-50.396.4157.3-97.9133.6000106.1T21L19-T21 PolarHBondContact O-N 3.08Å; L19-T21 PolarHBondContact O-OG1 2.69Å; L19-T21 VanDerWaalsContact O-OG1 3.08Å
20G48.8Very low54.6Low63 Ų63122.5 Ų122.565%0.64968%0.678SS**  trans-63.182.3172.300000107.3V18 R22V18-G20 PolarHBondContact O-N 2.76Å; G20-R22 PolarHBondContact O-N 2.83Å
21T54.3Low56.2Low79 Ų79114.5 Ų114.549%0.48564%0.644SS.*  trans-63.695.1176.8-15.70000104.7L19 R23 T36L19-T21 PolarHBondContact O-N 3.08Å; L19-T21 PolarHBondContact O-OG1 2.69Å; L19-T21 VanDerWaalsContact O-OG1 3.08Å; T21-R23 VanDerWaalsContact C-N 3.33Å; T21-R23 PolarHBondContact O-N 2.8Å; T21-T36 VanDerWaalsContact CG2-CB 3.47Å; T21-T36 HydrophobicContact CG2-CG2 3.62Å
22R63.3Low57.5Low215 Ų215119.3 Ų119.381%0.81165%0.653SS**  trans-58.1104.2175.5-81.2-176.7162-179.9-4.2105.8G20 L24G20-R22 PolarHBondContact O-N 2.83Å; R22-L24 WeakPolarHBondContact O-CG 3.41Å; R22-L24 PolarHBondContact O-N 3.24Å
23R70.7Confident58.6Low186 Ų186120.5 Ų120.570%0.70264%0.64SS**  trans-71.8109.1178-78.7-173.2-173.8-154.62.3107.3T21 V34 Y35T21-R23 VanDerWaalsContact C-N 3.33Å; T21-R23 PolarHBondContact O-N 2.8Å; R23-V34 HydrophobicContact CB-CG1 3.49Å; R23-V34 VanDerWaalsContact CB-CG1 3.49Å; R23-V34 HydrophobicContact CG-CG1 3.93Å; R23-Y35 CarbonylContact C-O 3.54Å; R23-Y35 WeakPolarHBondContact CA-O 3.46Å
24L72.7Confident60Low42 Ų42115.7 Ų115.722%0.2263%0.625CS.*EExtended strand (participates in β ladder)trans-93.4119.2-177.3-52.9166.8000108.8R22 V34 Y35 Q38 L41R22-L24 WeakPolarHBondContact O-CG 3.41Å; R22-L24 PolarHBondContact O-N 3.24Å; L24-V34 WeakPolarHBondContact O-CA 3.27Å; L24-Y35 PolarHBondContact N-O 3.17Å; L24-Y35 PolarHBondContact O-N 3.28Å; L24-Q38 HydrophobicContact CD1-CB 3.97Å; L24-L41 HydrophobicContact CB-CB 4.46Å; L24-L41 HydrophobicContact CB-CD2 3.44Å; L24-L41 VanDerWaalsContact CB-CD2 3.44Å; L24-L41 HydrophobicContact CB-CG 4.5Å; L24-L41 HydrophobicContact CD1-CD2 4.31Å; L24-L41 HydrophobicContact CG-CD2 4.45Å
25L75.6Confident61.9Low117 Ų117110.9 Ų110.961%0.61360%0.596SS**EExtended strand (participates in β ladder)trans-89.1147179.3-65.295.1000110.4P27 V34L25-P27 WeakPolarHBondContact O-CD 3.46Å; L25-V34 HydrophobicContact CD2-CG2 4.26Å; L25-V34 HydrophobicContact CG-CG2 4.12Å
26C77.7Confident63.4Low12 Ų12107.3 Ų107.38%0.08159%0.585CS.*PPolyproline II helixtrans-63.4125.4171.7-171.20000111.1I28 C31 R33 L41 H44C26-I28 PolarHBondContact O-N 3.37Å; C26-I28 VanDerWaalsContact O-N 3.17Å; C26-C31 HydrophobicContact CB-CB 3.93Å; C26-R33 PolarHBondContact N-O 3.16Å; C26-R33 VanDerWaalsContact N-O 3.16Å; C26-L41 HydrophobicContact CB-CD1 4.31Å; C26-H44 PolarHBondContact SG-NE2 3.33Å
27P74.3Confident65.3Low100 Ų100105.7 Ų105.765%0.64957%0.573SS**  trans-69.9-4.8178.1-18.431.6000114.7L25 I45L25-P27 WeakPolarHBondContact O-CD 3.46Å; P27-I45 HydrophobicContact CG-CD1 4.25Å
28I67.2Low66.7Low59 Ų59107.4 Ų107.430%0.30356%0.56SS.*SBendtrans-90.5124.4-167.8-62173.6000110.1C26 G30 C31 I45 H48C26-I28 PolarHBondContact O-N 3.37Å; C26-I28 VanDerWaalsContact O-N 3.17Å; I28-G30 PolarHBondContact O-N 2.77Å; I28-C31 PolarHBondContact O-N 2.86Å; I28-I45 HydrophobicContact CD1-CG2 4.41Å; I28-H48 HydrophobicContact CD1-CB 3.26Å; I28-H48 VanDerWaalsContact CD1-CD2 3.41Å; I28-H48 WeakPolarHBondContact CD1-CD2 3.43Å
29H51.7Low68.4Low195 Ų195103.8 Ų103.890%0.90354%0.541SS*.THydrogen-bonded Turntrans-55.2113.3-176.7-70.9-71.5000111.9
30G58.8Low69.9Low81 Ų8197.5 Ų97.584%0.83551%0.512SS*.THydrogen-bonded Turntrans104.3-9.5179.700000115I28I28-G30 PolarHBondContact O-N 2.77Å
31C68.4Low71.2Confident28 Ų2895 Ų9519%0.18948%0.484CS..  trans-95118.6173.4-163.10000111.4C26 I28 H44 H48C26-C31 HydrophobicContact CB-CB 3.93Å; I28-C31 PolarHBondContact O-N 2.86Å; C31-H44 PolarHBondContact SG-NE2 2.83Å; C31-H48 PolarHBondContact SG-NE2 3.38Å
32K66.3Low72.2Confident193 Ų19396.3 Ų96.384%0.83949%0.485SS*.  trans-100.319.9179.9-59.1-176.4-177.8-1770113.3
33R70.8Confident72.6Confident142 Ų14289.1 Ų89.154%0.53647%0.467SS..  trans-76.9139.6-178.5-67.9-169.4-176.6169.7-3.4110.8C26 Y35 H44C26-R33 PolarHBondContact N-O 3.16Å; C26-R33 VanDerWaalsContact N-O 3.16Å; R33-Y35 HydrophobicContact CB-CD2 4.41Å; R33-Y35 HydrophobicContact CB-CE2 3.53Å; R33-Y35 WeakPolarHBondContact CD-OH 3.43Å; R33-H44 PolarHBondContact NH1-ND1 2.81Å
34V74.4Confident72.9Confident71 Ų7180.6 Ų80.643%0.4344%0.435SS..EExtended strand (participates in β ladder)trans-126125.8-176.3-1750000107.9R23 L24 L25R23-V34 HydrophobicContact CB-CG1 3.49Å; R23-V34 VanDerWaalsContact CB-CG1 3.49Å; R23-V34 HydrophobicContact CG-CG1 3.93Å; L24-V34 WeakPolarHBondContact O-CA 3.27Å; L25-V34 HydrophobicContact CD2-CG2 4.26Å; L25-V34 HydrophobicContact CG-CG2 4.12Å
35Y78.5Confident72.9Confident49 Ų4980.3 Ų80.319%0.19243%0.434CS..EExtended strand (participates in β ladder)trans-116.6146.1-176.4-65.8-88.1000110.4R23 L24 R33 A40 L41 H44R23-Y35 CarbonylContact C-O 3.54Å; R23-Y35 WeakPolarHBondContact CA-O 3.46Å; L24-Y35 PolarHBondContact N-O 3.17Å; L24-Y35 PolarHBondContact O-N 3.28Å; R33-Y35 HydrophobicContact CB-CD2 4.41Å; R33-Y35 HydrophobicContact CB-CE2 3.53Å; R33-Y35 WeakPolarHBondContact CD-OH 3.43Å; Y35-A40 HydrophobicContact CD1-CB 3.68Å; Y35-A40 HydrophobicContact CE1-CB 4.33Å; Y35-A40 HydrophobicContact CG-CB 4.37Å; Y35-L41 HydrophobicContact CD2-CB 4.13Å; Y35-L41 HydrophobicContact CD2-CD1 3.81Å; Y35-L41 HydrophobicContact CE2-CD1 4.28Å; Y35-L41 HydrophobicContact CG-CB 4.22Å; Y35-H44 HydrophobicContact CE1-CB 4.39Å; Y35-H44 HydrophobicContact CE2-CB 3.81Å; Y35-H44 AromaticContact CE2-CD2 3.37Å; Y35-H44 WeakPolarHBondContact CE2-CD2 3.17Å; Y35-H44 AromaticContact CE2-CG 3.57Å; Y35-H44 AromaticContact CZ-CD2 3.89Å; Y35-H44 AromaticContact CZ-CG 3.58Å; Y35-H44 WeakPolarHBondContact OH-CB 3.37Å; Y35-H44 PolarHBondContact OH-ND1 3.42Å
36T80.4Confident72.8Confident95 Ų9579.5 Ų79.558%0.58343%0.428SS*.SBendtrans-87.1-13.7175.445.10000112.4T21T21-T36 VanDerWaalsContact CG2-CB 3.47Å; T21-T36 HydrophobicContact CG2-CG2 3.62Å
37E79.6Confident72.2Confident118 Ų11884.1 Ų84.155%0.55145%0.452SS*.SBendtrans-130.3138.4-173.4-159.2-177.9167.300110.7S39 A40 L41E37-S39 VanDerWaalsContact CG-OG 3.27Å; E37-S39 WeakPolarHBondContact CG-OG 3.39Å; E37-S39 PolarHBondContact OE1-OG 2.84Å; E37-A40 HydrophobicContact CB-CB 4.22Å; E37-A40 PolarHBondContact O-N 3.17Å; E37-L41 PolarHBondContact O-N 2.84Å
38Q79.4Confident71.7Confident113 Ų11382.9 Ų82.953%0.52844%0.437SS..Hα-helixtrans-64.7-39.7-179.1-17573.619.600111.8L24 A40 L41 E42L24-Q38 HydrophobicContact CD1-CB 3.97Å; Q38-A40 PolarHBondContact O-N 3.09Å; Q38-L41 PolarHBondContact O-N 2.97Å; Q38-E42 WeakPolarHBondContact O-CB 3.22Å; Q38-E42 PolarHBondContact O-N 3.5Å
39S79.1Confident71.3Confident60 Ų6085.9 Ų85.942%0.4245%0.45SS..Hα-helixtrans-62.3-39.5178.358.50000112.5E37 E42 S43E37-S39 VanDerWaalsContact CG-OG 3.27Å; E37-S39 WeakPolarHBondContact CG-OG 3.39Å; E37-S39 PolarHBondContact OE1-OG 2.84Å; S39-E42 PolarHBondContact O-N 3.18Å; S39-S43 WeakPolarHBondContact O-CB 3.42Å; S39-S43 PolarHBondContact O-N 3.17Å; S39-S43 PolarHBondContact O-OG 3.24Å
40A76.9Confident71.2Confident29 Ų2979.2 Ų79.224%0.2443%0.426CS..Hα-helixtrans-70.7-34.8176.300000112.3Y35 E37 Q38 S43 H44Y35-A40 HydrophobicContact CD1-CB 3.68Å; Y35-A40 HydrophobicContact CE1-CB 4.33Å; Y35-A40 HydrophobicContact CG-CB 4.37Å; E37-A40 HydrophobicContact CB-CB 4.22Å; E37-A40 PolarHBondContact O-N 3.17Å; Q38-A40 PolarHBondContact O-N 3.09Å; A40-S43 WeakPolarHBondContact CA-OG 3.49Å; A40-S43 PolarHBondContact O-OG 3.43Å; A40-S43 VanDerWaalsContact O-OG 3.09Å; A40-H44 VanDerWaalsContact O-CB 3.22Å; A40-H44 WeakPolarHBondContact O-CB 3.35Å; A40-H44 PolarHBondContact O-N 3.46Å
41L74.6Confident70.7Confident10 Ų1080.7 Ų80.75%0.05242%0.421CS..Hα-helixtrans-69.7-41.3171.6175.960.9000111.5L24 C26 Y35 E37 Q38 H44 I45L24-L41 HydrophobicContact CB-CB 4.46Å; L24-L41 HydrophobicContact CB-CD2 3.44Å; L24-L41 VanDerWaalsContact CB-CD2 3.44Å; L24-L41 HydrophobicContact CB-CG 4.5Å; L24-L41 HydrophobicContact CD1-CD2 4.31Å; L24-L41 HydrophobicContact CG-CD2 4.45Å; C26-L41 HydrophobicContact CB-CD1 4.31Å; Y35-L41 HydrophobicContact CD2-CB 4.13Å; Y35-L41 HydrophobicContact CD2-CD1 3.81Å; Y35-L41 HydrophobicContact CE2-CD1 4.28Å; Y35-L41 HydrophobicContact CG-CB 4.22Å; E37-L41 PolarHBondContact O-N 2.84Å; Q38-L41 PolarHBondContact O-N 2.97Å; L41-H44 CarbonylContact O-C 3.54Å; L41-H44 WeakPolarHBondContact O-CB 3.49Å; L41-H44 PolarHBondContact O-N 2.99Å; L41-I45 HydrophobicContact CD1-CD1 3.92Å; L41-I45 HydrophobicContact CD1-CG1 4.05Å; L41-I45 HydrophobicContact CD2-CD1 4.3Å; L41-I45 HydrophobicContact CG-CD1 3.75Å; L41-I45 HydrophobicContact CG-CG1 4.32Å; L41-I45 VanDerWaalsContact O-CG1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.41Å; L41-I45 PolarHBondContact O-N 3.23Å
42E74.8Confident69.5Low108 Ų10881.1 Ų81.151%0.50543%0.426SS..Hα-helixtrans-68.6-44.2-177.2-169.5163.3-164.500111.7Q38 S39 H44 I45 M46Q38-E42 WeakPolarHBondContact O-CB 3.22Å; Q38-E42 PolarHBondContact O-N 3.5Å; S39-E42 PolarHBondContact O-N 3.18Å; E42-H44 VanDerWaalsContact C-N 3.28Å; E42-H44 PolarHBondContact O-N 3.47Å; E42-I45 PolarHBondContact O-N 3.39Å; E42-M46 WeakPolarHBondContact O-CB 3.39Å; E42-M46 WeakPolarHBondContact O-CG 3.27Å; E42-M46 PolarHBondContact O-N 2.98Å
43S72.9Confident68.5Low63 Ų6378.7 Ų78.744%0.44142%0.418SS..Hα-helixtrans-59.5-38.5169.250.10000112.4S39 A40 M46 D47S39-S43 WeakPolarHBondContact O-CB 3.42Å; S39-S43 PolarHBondContact O-N 3.17Å; S39-S43 PolarHBondContact O-OG 3.24Å; A40-S43 WeakPolarHBondContact CA-OG 3.49Å; A40-S43 PolarHBondContact O-OG 3.43Å; A40-S43 VanDerWaalsContact O-OG 3.09Å; S43-M46 WeakPolarHBondContact O-CB 3.43Å; S43-M46 PolarHBondContact O-N 3.5Å; S43-D47 PolarHBondContact O-N 3.01Å
44H76.4Confident67.3Low7 Ų775.4 Ų75.43%0.03242%0.416CS..Hα-helixtrans-67.1-37.6174.5172.557000113.6C26 C31 R33 Y35 A40 L41 E42 M46 D47 H48C26-H44 PolarHBondContact SG-NE2 3.33Å; C31-H44 PolarHBondContact SG-NE2 2.83Å; R33-H44 PolarHBondContact NH1-ND1 2.81Å; Y35-H44 HydrophobicContact CE1-CB 4.39Å; Y35-H44 HydrophobicContact CE2-CB 3.81Å; Y35-H44 AromaticContact CE2-CD2 3.37Å; Y35-H44 WeakPolarHBondContact CE2-CD2 3.17Å; Y35-H44 AromaticContact CE2-CG 3.57Å; Y35-H44 AromaticContact CZ-CD2 3.89Å; Y35-H44 AromaticContact CZ-CG 3.58Å; Y35-H44 WeakPolarHBondContact OH-CB 3.37Å; Y35-H44 PolarHBondContact OH-ND1 3.42Å; A40-H44 VanDerWaalsContact O-CB 3.22Å; A40-H44 WeakPolarHBondContact O-CB 3.35Å; A40-H44 PolarHBondContact O-N 3.46Å; L41-H44 CarbonylContact O-C 3.54Å; L41-H44 WeakPolarHBondContact O-CB 3.49Å; L41-H44 PolarHBondContact O-N 2.99Å; E42-H44 VanDerWaalsContact C-N 3.28Å; E42-H44 PolarHBondContact O-N 3.47Å; H44-M46 VanDerWaalsContact C-N 3.33Å; H44-D47 WeakPolarHBondContact O-CB 3.48Å; H44-D47 PolarHBondContact O-N 3.06Å; H44-H48 AromaticContact CD2-NE2 3.91Å; H44-H48 AromaticContact CE1-CD2 3.58Å; H44-H48 AromaticContact CE1-CE1 3.96Å; H44-H48 AromaticContact CE1-NE2 3.01Å; H44-H48 PolarHBondContact CE1-NE2 3.2Å; H44-H48 AromaticContact ND1-NE2 3.95Å; H44-H48 AromaticContact NE2-CD2 3.59Å; H44-H48 AromaticContact NE2-NE2 2.98Å; H44-H48 PolarHBondContact NE2-NE2 3.26Å; H44-H48 PolarHBondContact O-CD2 3.39Å; H44-H48 PolarHBondContact O-N 3.16Å
45I73.8Confident65.9Low36 Ų3676.5 Ų76.519%0.18542%0.419CS..Hα-helixtrans-66.5-40.6173.6-69.5165.5000109.5P27 I28 L41 E42 D47 H48 E49P27-I45 HydrophobicContact CG-CD1 4.25Å; I28-I45 HydrophobicContact CD1-CG2 4.41Å; L41-I45 HydrophobicContact CD1-CD1 3.92Å; L41-I45 HydrophobicContact CD1-CG1 4.05Å; L41-I45 HydrophobicContact CD2-CD1 4.3Å; L41-I45 HydrophobicContact CG-CD1 3.75Å; L41-I45 HydrophobicContact CG-CG1 4.32Å; L41-I45 VanDerWaalsContact O-CG1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.41Å; L41-I45 PolarHBondContact O-N 3.23Å; E42-I45 PolarHBondContact O-N 3.39Å; I45-D47 PolarHBondContact O-N 3.31Å; I45-H48 WeakPolarHBondContact O-CA 3.09Å; I45-H48 WeakPolarHBondContact O-CB 3.49Å; I45-H48 PolarHBondContact O-N 2.86Å; I45-E49 HydrophobicContact CG2-CG 4.27Å; I45-E49 WeakPolarHBondContact O-CG 3.21Å; I45-E49 PolarHBondContact O-N 2.87Å
46M71.8Confident64.1Low100 Ų10080.6 Ų80.649%0.49345%0.452SS..Hα-helixtrans-60.8-30.5172.8-68.3-74.415400112.3E42 S43 H44 H48 E49 S50E42-M46 WeakPolarHBondContact O-CB 3.39Å; E42-M46 WeakPolarHBondContact O-CG 3.27Å; E42-M46 PolarHBondContact O-N 2.98Å; S43-M46 WeakPolarHBondContact O-CB 3.43Å; S43-M46 PolarHBondContact O-N 3.5Å; H44-M46 VanDerWaalsContact C-N 3.33Å; M46-H48 VanDerWaalsContact C-N 3.34Å; M46-E49 CarbonylContact O-C 3.57Å; M46-E49 PolarHBondContact O-N 2.98Å; M46-S50 WeakPolarHBondContact O-CA 3.41Å; M46-S50 WeakPolarHBondContact O-CB 3.41Å; M46-S50 PolarHBondContact O-N 2.96Å
47D65.8Low62.6Low110 Ų11079.8 Ų79.859%0.58846%0.463SS*.Hα-helixtrans-70.4-28.1172.7-71.6-30.7000113.3S43 H44 I45S43-D47 PolarHBondContact O-N 3.01Å; H44-D47 WeakPolarHBondContact O-CB 3.48Å; H44-D47 PolarHBondContact O-N 3.06Å; I45-D47 PolarHBondContact O-N 3.31Å
48H63.7Low61.4Low74 Ų7479 Ų7934%0.34346%0.458SS..Hα-helixtrans-79.2-36.5170.5-69.5-82000111.9I28 C31 H44 I45 M46 S50I28-H48 HydrophobicContact CD1-CB 3.26Å; I28-H48 VanDerWaalsContact CD1-CD2 3.41Å; I28-H48 WeakPolarHBondContact CD1-CD2 3.43Å; C31-H48 PolarHBondContact SG-NE2 3.38Å; H44-H48 AromaticContact CD2-NE2 3.91Å; H44-H48 AromaticContact CE1-CD2 3.58Å; H44-H48 AromaticContact CE1-CE1 3.96Å; H44-H48 AromaticContact CE1-NE2 3.01Å; H44-H48 PolarHBondContact CE1-NE2 3.2Å; H44-H48 AromaticContact ND1-NE2 3.95Å; H44-H48 AromaticContact NE2-CD2 3.59Å; H44-H48 AromaticContact NE2-NE2 2.98Å; H44-H48 PolarHBondContact NE2-NE2 3.26Å; H44-H48 PolarHBondContact O-CD2 3.39Å; H44-H48 PolarHBondContact O-N 3.16Å; I45-H48 WeakPolarHBondContact O-CA 3.09Å; I45-H48 WeakPolarHBondContact O-CB 3.49Å; I45-H48 PolarHBondContact O-N 2.86Å; M46-H48 VanDerWaalsContact C-N 3.34Å; H48-S50 VanDerWaalsContact C-N 3.26Å
49E59.3Low60.3Low121 Ų12180.9 Ų80.957%0.56546%0.464SS*.Hα-helixtrans-77.4-13.1176.7-67.1-177.8154.100112.9I45 M46 P51I45-E49 HydrophobicContact CG2-CG 4.27Å; I45-E49 WeakPolarHBondContact O-CG 3.21Å; I45-E49 PolarHBondContact O-N 2.87Å; M46-E49 CarbonylContact O-C 3.57Å; M46-E49 PolarHBondContact O-N 2.98Å; E49-P51 WeakPolarHBondContact O-CD 3.17Å; E49-P51 WeakPolarHBondContact O-CG 3.38Å
50S48.9Very low59.3Low56 Ų5679.2 Ų79.239%0.39245%0.45SS..SBendtrans-83.591.8168-178.40000108.4M46 H48 A52M46-S50 WeakPolarHBondContact O-CA 3.41Å; M46-S50 WeakPolarHBondContact O-CB 3.41Å; M46-S50 PolarHBondContact O-N 2.96Å; H48-S50 VanDerWaalsContact C-N 3.26Å; S50-A52 PolarHBondContact O-N 3.3Å
51P48.4Very low58.6Low112 Ų11283.2 Ų83.273%0.72747%0.467SS*.  trans-78.787.3-174.4-4.728.4000105.9E49E49-P51 WeakPolarHBondContact O-CD 3.17Å; E49-P51 WeakPolarHBondContact O-CG 3.38Å
52A43.3Very low58.1Low37 Ų3783.2 Ų83.231%0.30647%0.467SS..  trans79.5110.7-178.700000116S50 S54 M74S50-A52 PolarHBondContact O-N 3.3Å; A52-S54 PolarHBondContact O-N 3.42Å; A52-M74 HydrophobicContact CB-CE 3.57Å; A52-M74 HydrophobicContact CB-CG 4.48Å
53Q46.4Very low57.6Low142 Ų14284 Ų8466%0.66449%0.485SS*.  -52.673.2129.4-72.7-11228.600110.1L55 K58Q53-L55 PolarHBondContact O-N 2.75Å; Q53-K58 VanDerWaalsContact O-CE 3.24Å; Q53-K58 WeakPolarHBondContact O-CE 3.21Å; Q53-K58 PolarHBondContact O-NZ 2.78Å
54S44Very low56.7Low72 Ų7283.3 Ų83.350%0.50348%0.478SS..  trans-68.180.5154.2510000107.1A52A52-S54 PolarHBondContact O-N 3.42Å
55L46.6Very low55.4Low95 Ų9588.8 Ų88.850%0.49752%0.517SS..  trans-51.9128.7163.7-71.8171.6000107.8Q53 G57 K58Q53-L55 PolarHBondContact O-N 2.75Å; L55-G57 PolarHBondContact O-N 2.82Å; L55-K58 HydrophobicContact CB-CD 4.01Å; L55-K58 HydrophobicContact CD1-CD 4.46Å
56P40.2Very low54.4Low134 Ų13491.4 Ų91.487%0.8755%0.553SS**THydrogen-bonded Turntrans-57.9109.3179.5-20.530.8000109.9
57G48.5Very low53.7Low79 Ų7988.1 Ų88.181%0.81454%0.54SS*.THydrogen-bonded Turntrans126.2-15.1171.400000116.8L55 K59L55-G57 PolarHBondContact O-N 2.82Å; G57-K59 PolarHBondContact O-N 3.26Å
58K55Low53.5Low102 Ų10288.3 Ų88.344%0.44355%0.55SS..  trans-91.6106.5175.768.6-164179.9-164.80110.7Q53 L55 L60Q53-K58 VanDerWaalsContact O-CE 3.24Å; Q53-K58 WeakPolarHBondContact O-CE 3.21Å; Q53-K58 PolarHBondContact O-NZ 2.78Å; L55-K58 HydrophobicContact CB-CD 4.01Å; L55-K58 HydrophobicContact CD1-CD 4.46Å; K58-L60 PolarHBondContact O-N 3.11Å
59K56.7Low53.3Low152 Ų15286.2 Ų86.266%0.66155%0.545SS*.PPolyproline II helixtrans-60.2128.7174-59.5174.1-174.7174.20108.5G57 F71G57-K59 PolarHBondContact O-N 3.26Å; K59-F71 CarbonylContact C-O 3.6Å; K59-F71 WeakPolarHBondContact CA-O 2.97Å
60L56.3Low53.5Low24 Ų2483.1 Ų83.113%0.12654%0.537CS..EExtended strand (participates in β ladder)trans-85118.6-178.2-53.6175.8000109.5K58 S70 F71 M74 L77K58-L60 PolarHBondContact O-N 3.11Å; L60-S70 CarbonylContact O-C 3.5Å; L60-S70 WeakPolarHBondContact O-CA 3.37Å; L60-F71 PolarHBondContact N-O 2.85Å; L60-F71 PolarHBondContact O-N 2.9Å; L60-M74 HydrophobicContact CD1-CB 3.69Å; L60-M74 HydrophobicContact CD1-CE 3.63Å; L60-M74 HydrophobicContact CD1-CG 4.36Å; L60-M74 HydrophobicContact CD1-SD 3.82Å; L60-L77 HydrophobicContact CB-CB 4.28Å; L60-L77 HydrophobicContact CB-CD2 3.53Å; L60-L77 HydrophobicContact CB-CG 4.45Å; L60-L77 HydrophobicContact CD1-CD2 4.32Å
61L63.6Low54.3Low114 Ų11482.5 Ų82.560%0.59753%0.527SS*.EExtended strand (participates in β ladder)trans-86.9146.6-178.4-67.4160.3000110.8
62C64.7Low55.1Low9 Ų982.1 Ų82.16%0.06153%0.525CS..PPolyproline II helixtrans-76.1123.7172.7-171.80000111.2T64 C67 A69 L77 H80 H84C62-T64 PolarHBondContact O-N 2.78Å; C62-T64 PolarHBondContact SG-OG1 3.45Å; C62-C67 HydrophobicContact CB-CB 4.27Å; C62-A69 PolarHBondContact N-O 3.49Å; C62-L77 HydrophobicContact CB-CD1 4.13Å; C62-H80 VanDerWaalsContact SG-CD2 3.53Å; C62-H80 PolarHBondContact SG-NE2 2.76Å; C62-H84 PolarHBondContact SG-CD2 3.22Å; C62-H84 PolarHBondContact SG-NE2 2.88Å
63S63Low55.9Low126 Ų12682.7 Ų82.788%0.88153%0.526SS*.  trans-83.413.7177.9-50.40000114.3
64T54.7Low56.7Low47 Ų4778.6 Ų78.629%0.28851%0.508SS..SBendtrans-82.2132.4-177.7-52.20000110.4C62 G66 C67 H84C62-T64 PolarHBondContact O-N 2.78Å; C62-T64 PolarHBondContact SG-OG1 3.45Å; T64-G66 PolarHBondContact O-N 3.38Å; T64-C67 PolarHBondContact O-N 3.4Å; T64-H84 HydrophobicContact CG2-CB 4.14Å; T64-H84 PolarHBondContact OG1-CD2 3.39Å
65S48.4Very low57.8Low122 Ų12282.4 Ų82.485%0.85352%0.518SS*.THydrogen-bonded Turntrans-53.9111.6-179.2590000111.5
66G53.9Low58.7Low92 Ų9283.5 Ų83.595%0.94852%0.518SS*.THydrogen-bonded Turntrans9110.1-177.700000115.7T64T64-G66 PolarHBondContact O-N 3.38Å
67C56.8Low60Low31 Ų3177.8 Ų77.821%0.20948%0.481CS..  trans-114.9122.2174.4-166.60000111.9C62 T64 H80 H84C62-C67 HydrophobicContact CB-CB 4.27Å; T64-C67 PolarHBondContact O-N 3.4Å; C67-H80 VanDerWaalsContact SG-CE1 3.52Å; C67-H80 PolarHBondContact SG-NE2 2.81Å; C67-H84 PolarHBondContact SG-NE2 3.22Å
68S60.7Low61Low114 Ų11478.4 Ų78.480%0.79746%0.464SS*.  trans-106.718.6178.254.70000113.4S70S68-S70 PolarHBondContact O-N 3.37Å
69A60.1Low61.7Low29 Ų2978 Ų7824%0.2446%0.463CS..  trans-71.7129.3-176.100000111.4C62 F71C62-A69 PolarHBondContact N-O 3.49Å; A69-F71 HydrophobicContact CB-CE2 3.45Å; A69-F71 VanDerWaalsContact CB-CE2 3.45Å; A69-F71 HydrophobicContact CB-CZ 3.63Å
70S62.9Low62.3Low57 Ų5772.3 Ų72.340%0.39944%0.439SS..EExtended strand (participates in β ladder)trans-112.2132.4178.575.30000110.7L60 S68L60-S70 CarbonylContact O-C 3.5Å; L60-S70 WeakPolarHBondContact O-CA 3.37Å; S68-S70 PolarHBondContact O-N 3.37Å
71F65.4Low62.7Low43 Ų4372.2 Ų72.219%0.18944%0.439CS..EExtended strand (participates in β ladder)trans-122.8142-176.4-61.2-83.7000111.9K59 L60 A69 S73 K76 L77 H80K59-F71 CarbonylContact C-O 3.6Å; K59-F71 WeakPolarHBondContact CA-O 2.97Å; L60-F71 PolarHBondContact N-O 2.85Å; L60-F71 PolarHBondContact O-N 2.9Å; A69-F71 HydrophobicContact CB-CE2 3.45Å; A69-F71 VanDerWaalsContact CB-CE2 3.45Å; A69-F71 HydrophobicContact CB-CZ 3.63Å; F71-S73 PolarHBondContact O-N 3.08Å; F71-K76 HydrophobicContact CB-CB 4.04Å; F71-K76 HydrophobicContact CD1-CB 3.87Å; F71-K76 HydrophobicContact CG-CB 4.21Å; F71-L77 HydrophobicContact CB-CB 4.16Å; F71-L77 HydrophobicContact CD2-CB 4.16Å; F71-L77 HydrophobicContact CD2-CD1 3.83Å; F71-L77 HydrophobicContact CE2-CD1 4.33Å; F71-L77 HydrophobicContact CG-CB 4.41Å; F71-H80 HydrophobicContact CD2-CB 4.19Å; F71-H80 HydrophobicContact CE1-CB 4.01Å; F71-H80 HydrophobicContact CE2-CB 3.49Å; F71-H80 VanDerWaalsContact CE2-CB 3.49Å; F71-H80 AromaticContact CE2-CD2 3.29Å; F71-H80 WeakPolarHBondContact CE2-CD2 3.29Å; F71-H80 AromaticContact CE2-CG 3.2Å; F71-H80 AromaticContact CE2-ND1 3.73Å; F71-H80 AromaticContact CE2-NE2 3.84Å; F71-H80 HydrophobicContact CZ-CB 3.39Å; F71-H80 AromaticContact CZ-CD2 3.77Å; F71-H80 AromaticContact CZ-CE1 3.92Å; F71-H80 AromaticContact CZ-CG 3.19Å; F71-H80 AromaticContact CZ-ND1 3.34Å; F71-H80 VanDerWaalsContact CZ-ND1 3.34Å; F71-H80 WeakPolarHBondContact CZ-ND1 3.35Å
72P65.4Low62.9Low104 Ų10474.1 Ų74.168%0.67544%0.438SS*.SBendtrans-76-11.1179.930.8-35.7000113.5K76P72-K76 HydrophobicContact CG-CD 4.39Å
73S59.7Low62.7Low48 Ų4879 Ų7934%0.33646%0.46SS..SBendtrans-140.6143.4-176.4167.40000110.7F71 Q75 K76 L77F71-S73 PolarHBondContact O-N 3.08Å; S73-Q75 PolarHBondContact O-N 2.98Å; S73-Q75 PolarHBondContact OG-N 2.88Å; S73-K76 PolarHBondContact O-N 3.05Å; S73-K76 VanDerWaalsContact O-N 3.16Å; S73-L77 PolarHBondContact O-N 3.03Å
74M64.8Low62.6Low56 Ų5676 Ų7628%0.27643%0.432SS..Hα-helixtrans-59.9-33.8176-173.258.481.500111.2A52 L60 K76 L77 M78A52-M74 HydrophobicContact CB-CE 3.57Å; A52-M74 HydrophobicContact CB-CG 4.48Å; L60-M74 HydrophobicContact CD1-CB 3.69Å; L60-M74 HydrophobicContact CD1-CE 3.63Å; L60-M74 HydrophobicContact CD1-CG 4.36Å; L60-M74 HydrophobicContact CD1-SD 3.82Å; M74-K76 VanDerWaalsContact C-N 3.34Å; M74-K76 PolarHBondContact O-N 2.86Å; M74-L77 CarbonylContact O-C 3.38Å; M74-L77 PolarHBondContact O-N 2.95Å; M74-L77 HydrophobicContact SD-CB 4.48Å; M74-L77 HydrophobicContact SD-CD2 4.05Å; M74-M78 HydrophobicContact CG-CG 4.07Å; M74-M78 VanDerWaalsContact O-CB 3.26Å; M74-M78 WeakPolarHBondContact O-CB 3.48Å; M74-M78 WeakPolarHBondContact O-CG 3.09Å; M74-M78 PolarHBondContact O-N 2.74Å; M74-M78 HydrophobicContact SD-CE 4Å; M74-M78 HydrophobicContact SD-CG 4.16Å
75Q67.1Low62.5Low152 Ų15283.1 Ų83.171%0.7146%0.455SS*.Hα-helixtrans-64.1-40.2177.7-167177.3300112S73 M78 E79S73-Q75 PolarHBondContact O-N 2.98Å; S73-Q75 PolarHBondContact OG-N 2.88Å; Q75-M78 PolarHBondContact O-N 3.38Å; Q75-E79 VanDerWaalsContact O-CB 3.32Å; Q75-E79 WeakPolarHBondContact O-CB 3.31Å; Q75-E79 PolarHBondContact O-N 2.96Å
76K64.2Low62.7Low118 Ų11883.7 Ų83.751%0.51344%0.442SS..Hα-helixtrans-71.8-37.1175.5-71.1-174177.6179.90111.8F71 P72 S73 M74 H80F71-K76 HydrophobicContact CB-CB 4.04Å; F71-K76 HydrophobicContact CD1-CB 3.87Å; F71-K76 HydrophobicContact CG-CB 4.21Å; P72-K76 HydrophobicContact CG-CD 4.39Å; S73-K76 PolarHBondContact O-N 3.05Å; S73-K76 VanDerWaalsContact O-N 3.16Å; M74-K76 VanDerWaalsContact C-N 3.34Å; M74-K76 PolarHBondContact O-N 2.86Å; K76-H80 WeakPolarHBondContact O-CB 3.49Å; K76-H80 PolarHBondContact O-N 2.69Å
77L68.4Low62.6Low15 Ų1583.1 Ų83.18%0.07942%0.422CS..Hα-helixtrans-65.5-41171.5176.862.2000111.5L60 C62 F71 S73 M74 H80 T81L60-L77 HydrophobicContact CB-CB 4.28Å; L60-L77 HydrophobicContact CB-CD2 3.53Å; L60-L77 HydrophobicContact CB-CG 4.45Å; L60-L77 HydrophobicContact CD1-CD2 4.32Å; C62-L77 HydrophobicContact CB-CD1 4.13Å; F71-L77 HydrophobicContact CB-CB 4.16Å; F71-L77 HydrophobicContact CD2-CB 4.16Å; F71-L77 HydrophobicContact CD2-CD1 3.83Å; F71-L77 HydrophobicContact CE2-CD1 4.33Å; F71-L77 HydrophobicContact CG-CB 4.41Å; S73-L77 PolarHBondContact O-N 3.03Å; M74-L77 CarbonylContact O-C 3.38Å; M74-L77 PolarHBondContact O-N 2.95Å; M74-L77 HydrophobicContact SD-CB 4.48Å; M74-L77 HydrophobicContact SD-CD2 4.05Å; L77-H80 CarbonylContact O-C 3.55Å; L77-H80 PolarHBondContact O-N 3.42Å; L77-T81 HydrophobicContact CD1-CG2 3.89Å; L77-T81 HydrophobicContact CG-CG2 4.26Å; L77-T81 WeakPolarHBondContact O-CB 3.12Å; L77-T81 VanDerWaalsContact O-CG2 3.28Å; L77-T81 WeakPolarHBondContact O-CG2 3.5Å; L77-T81 PolarHBondContact O-N 3.19Å; L77-T81 PolarHBondContact O-OG1 3.5Å
78M69.4Low62.3Low92 Ų9287.2 Ų87.245%0.45344%0.442SS..Hα-helixtrans-67.1-40.3177-74.9-68.310800111.2M74 Q75 T81 R82M74-M78 HydrophobicContact CG-CG 4.07Å; M74-M78 VanDerWaalsContact O-CB 3.26Å; M74-M78 WeakPolarHBondContact O-CB 3.48Å; M74-M78 WeakPolarHBondContact O-CG 3.09Å; M74-M78 PolarHBondContact O-N 2.74Å; M74-M78 HydrophobicContact SD-CE 4Å; M74-M78 HydrophobicContact SD-CG 4.16Å; Q75-M78 PolarHBondContact O-N 3.38Å; M78-T81 WeakPolarHBondContact CA-OG1 3.49Å; M78-T81 PolarHBondContact O-OG1 3.35Å; M78-T81 VanDerWaalsContact O-OG1 3.06Å; M78-R82 WeakPolarHBondContact O-CB 3.28Å; M78-R82 WeakPolarHBondContact O-CG 3.24Å; M78-R82 PolarHBondContact O-N 3.02Å; M78-R82 PolarHBondContact O-NE 2.78Å
79E69.1Low62.3Low93 Ų9386.4 Ų86.444%0.43543%0.427SS..Hα-helixtrans-61.4-47.3169-178.1170.8-161.800112.3Q75 R82 H83Q75-E79 VanDerWaalsContact O-CB 3.32Å; Q75-E79 WeakPolarHBondContact O-CB 3.31Å; Q75-E79 PolarHBondContact O-N 2.96Å; E79-R82 WeakPolarHBondContact O-CA 3.46Å; E79-R82 WeakPolarHBondContact O-CB 3.47Å; E79-R82 PolarHBondContact O-N 3.46Å; E79-R82 VanDerWaalsContact O-N 3.15Å; E79-H83 PolarHBondContact O-N 3.13Å; E79-H83 PolarHBondContact O-ND1 3.25Å
80H69.1Low62.6Low33 Ų3389.6 Ų89.615%0.15343%0.434CS..Hα-helixtrans-63.7-41.9177.1171.277.9000112.7C62 C67 F71 K76 L77 R82 H83 H84C62-H80 VanDerWaalsContact SG-CD2 3.53Å; C62-H80 PolarHBondContact SG-NE2 2.76Å; C67-H80 VanDerWaalsContact SG-CE1 3.52Å; C67-H80 PolarHBondContact SG-NE2 2.81Å; F71-H80 HydrophobicContact CD2-CB 4.19Å; F71-H80 HydrophobicContact CE1-CB 4.01Å; F71-H80 HydrophobicContact CE2-CB 3.49Å; F71-H80 VanDerWaalsContact CE2-CB 3.49Å; F71-H80 AromaticContact CE2-CD2 3.29Å; F71-H80 WeakPolarHBondContact CE2-CD2 3.29Å; F71-H80 AromaticContact CE2-CG 3.2Å; F71-H80 AromaticContact CE2-ND1 3.73Å; F71-H80 AromaticContact CE2-NE2 3.84Å; F71-H80 HydrophobicContact CZ-CB 3.39Å; F71-H80 AromaticContact CZ-CD2 3.77Å; F71-H80 AromaticContact CZ-CE1 3.92Å; F71-H80 AromaticContact CZ-CG 3.19Å; F71-H80 AromaticContact CZ-ND1 3.34Å; F71-H80 VanDerWaalsContact CZ-ND1 3.34Å; F71-H80 WeakPolarHBondContact CZ-ND1 3.35Å; K76-H80 WeakPolarHBondContact O-CB 3.49Å; K76-H80 PolarHBondContact O-N 2.69Å; L77-H80 CarbonylContact O-C 3.55Å; L77-H80 PolarHBondContact O-N 3.42Å; H80-R82 VanDerWaalsContact C-N 3.29Å; H80-R82 PolarHBondContact O-N 2.99Å; H80-H83 WeakPolarHBondContact O-CA 3.38Å; H80-H83 VanDerWaalsContact O-CB 3.24Å; H80-H83 WeakPolarHBondContact O-CB 3.41Å; H80-H83 PolarHBondContact O-N 3.4Å; H80-H84 AromaticContact CD2-CD2 3.8Å; H80-H84 AromaticContact CD2-NE2 3.77Å; H80-H84 AromaticContact CE1-CD2 4Å; H80-H84 AromaticContact CE1-NE2 3.34Å; H80-H84 PolarHBondContact CE1-NE2 3.03Å; H80-H84 VanDerWaalsContact CE1-NE2 3.34Å; H80-H84 AromaticContact NE2-CD2 3.44Å; H80-H84 PolarHBondContact NE2-CD2 3.06Å; H80-H84 AromaticContact NE2-NE2 2.92Å; H80-H84 PolarHBondContact NE2-NE2 2.88Å; H80-H84 PolarHBondContact O-CD2 3.03Å; H80-H84 PolarHBondContact O-N 2.93Å
81T64.6Low62.6Low21 Ų2189.9 Ų89.913%0.12943%0.428CS..Hα-helixtrans-68.5-28.217451.60000111.2L77 M78 H83 H84 Y85L77-T81 HydrophobicContact CD1-CG2 3.89Å; L77-T81 HydrophobicContact CG-CG2 4.26Å; L77-T81 WeakPolarHBondContact O-CB 3.12Å; L77-T81 VanDerWaalsContact O-CG2 3.28Å; L77-T81 WeakPolarHBondContact O-CG2 3.5Å; L77-T81 PolarHBondContact O-N 3.19Å; L77-T81 PolarHBondContact O-OG1 3.5Å; M78-T81 WeakPolarHBondContact CA-OG1 3.49Å; M78-T81 PolarHBondContact O-OG1 3.35Å; M78-T81 VanDerWaalsContact O-OG1 3.06Å; T81-H83 PolarHBondContact O-N 3.38Å; T81-H84 CarbonylContact O-C 3.58Å; T81-H84 WeakPolarHBondContact O-CA 3.45Å; T81-H84 WeakPolarHBondContact O-CB 3.45Å; T81-H84 PolarHBondContact O-N 3.32Å; T81-Y85 WeakPolarHBondContact O-CB 3.5Å; T81-Y85 WeakPolarHBondContact O-CD2 3.29Å; T81-Y85 PolarHBondContact O-N 3.31Å
82R67.8Low63Low154 Ų15492.8 Ų92.858%0.58144%0.442SS*.Hα-helixtrans-65.5-16.9165.3-74.9-178.5-59.5154.64.2113.9M78 E79 H80 Y85 K86M78-R82 WeakPolarHBondContact O-CB 3.28Å; M78-R82 WeakPolarHBondContact O-CG 3.24Å; M78-R82 PolarHBondContact O-N 3.02Å; M78-R82 PolarHBondContact O-NE 2.78Å; E79-R82 WeakPolarHBondContact O-CA 3.46Å; E79-R82 WeakPolarHBondContact O-CB 3.47Å; E79-R82 PolarHBondContact O-N 3.46Å; E79-R82 VanDerWaalsContact O-N 3.15Å; H80-R82 VanDerWaalsContact C-N 3.29Å; H80-R82 PolarHBondContact O-N 2.99Å; R82-Y85 CarbonylContact O-C 3.59Å; R82-K86 PolarHBondContact O-N 3.49Å
83H61Low63.8Low113 Ų11387.9 Ų87.952%0.52341%0.41SS..Hα-helixtrans-80.9-30168-65.677.1000111.9E79 H80 T81 K86E79-H83 PolarHBondContact O-N 3.13Å; E79-H83 PolarHBondContact O-ND1 3.25Å; H80-H83 WeakPolarHBondContact O-CA 3.38Å; H80-H83 VanDerWaalsContact O-CB 3.24Å; H80-H83 WeakPolarHBondContact O-CB 3.41Å; H80-H83 PolarHBondContact O-N 3.4Å; T81-H83 PolarHBondContact O-N 3.38Å; H83-K86 WeakPolarHBondContact O-CB 3.41Å; H83-K86 PolarHBondContact O-N 2.84Å
84H60.3Low64.8Low61 Ų6192.5 Ų92.528%0.28243%0.426SS..Hα-helixtrans-77-33.3168.5-66.7-65000112.9C62 T64 C67 H80 T81C62-H84 PolarHBondContact SG-CD2 3.22Å; C62-H84 PolarHBondContact SG-NE2 2.88Å; T64-H84 HydrophobicContact CG2-CB 4.14Å; T64-H84 PolarHBondContact OG1-CD2 3.39Å; C67-H84 PolarHBondContact SG-NE2 3.22Å; H80-H84 AromaticContact CD2-CD2 3.8Å; H80-H84 AromaticContact CD2-NE2 3.77Å; H80-H84 AromaticContact CE1-CD2 4Å; H80-H84 AromaticContact CE1-NE2 3.34Å; H80-H84 PolarHBondContact CE1-NE2 3.03Å; H80-H84 VanDerWaalsContact CE1-NE2 3.34Å; H80-H84 AromaticContact NE2-CD2 3.44Å; H80-H84 PolarHBondContact NE2-CD2 3.06Å; H80-H84 AromaticContact NE2-NE2 2.92Å; H80-H84 PolarHBondContact NE2-NE2 2.88Å; H80-H84 PolarHBondContact O-CD2 3.03Å; H80-H84 PolarHBondContact O-N 2.93Å; T81-H84 CarbonylContact O-C 3.58Å; T81-H84 WeakPolarHBondContact O-CA 3.45Å; T81-H84 WeakPolarHBondContact O-CB 3.45Å; T81-H84 PolarHBondContact O-N 3.32Å
85Y54.5Low65.5Low197 Ų19792.1 Ų92.177%0.77343%0.43SS*.SBendtrans-86.412.1169.4-84.2-91.6000112T81 R82T81-Y85 WeakPolarHBondContact O-CB 3.5Å; T81-Y85 WeakPolarHBondContact O-CD2 3.29Å; T81-Y85 PolarHBondContact O-N 3.31Å; R82-Y85 CarbonylContact O-C 3.59Å
86K51.3Low66.2Low134 Ų13487.2 Ų87.258%0.58341%0.411SS*.SBendtrans-64.6117.3149.4-163.880.477.2-155.30102.9R82 H83 N88R82-K86 PolarHBondContact O-N 3.49Å; H83-K86 WeakPolarHBondContact O-CB 3.41Å; H83-K86 PolarHBondContact O-N 2.84Å; K86-N88 PolarHBondContact O-N 3.42Å
87P51.8Low66.8Low80 Ų8087.9 Ų87.952%0.51941%0.411SS..  trans-51.4119-157.126.6-37.7000107.2I89P87-I89 HydrophobicContact CB-CB 4.22Å; P87-I89 HydrophobicContact CB-CD1 3.52Å; P87-I89 HydrophobicContact CB-CG1 3.51Å; P87-I89 HydrophobicContact CB-CG2 4.04Å; P87-I89 HydrophobicContact CG-CD1 3.33Å; P87-I89 HydrophobicContact CG-CG1 3.59Å; P87-I89 WeakPolarHBondContact O-CG1 3.09Å; P87-I89 PolarHBondContact O-N 2.94Å
88N50.8Low67.2Low118 Ų11889.7 Ų89.763%0.63142%0.422SS*.  trans-66.541.3165.5-167.411.1000108.7K86 Y90K86-N88 PolarHBondContact O-N 3.42Å; N88-Y90 PolarHBondContact O-N 3.2Å; N88-Y90 WeakPolarHBondContact OD1-CD2 3.4Å; N88-Y90 WeakPolarHBondContact OD1-CE2 3.38Å
89I61.8Low67.6Low97 Ų9792.3 Ų92.350%0.49743%0.431SS..  trans-79.871.6165.853.6-168.7000105.3P87 F91P87-I89 HydrophobicContact CB-CB 4.22Å; P87-I89 HydrophobicContact CB-CD1 3.52Å; P87-I89 HydrophobicContact CB-CG1 3.51Å; P87-I89 HydrophobicContact CB-CG2 4.04Å; P87-I89 HydrophobicContact CG-CD1 3.33Å; P87-I89 HydrophobicContact CG-CG1 3.59Å; P87-I89 WeakPolarHBondContact O-CG1 3.09Å; P87-I89 PolarHBondContact O-N 2.94Å; I89-F91 HydrophobicContact CD1-CE2 4.49Å; I89-F91 HydrophobicContact CD1-CZ 4.19Å; I89-F91 HydrophobicContact CG1-CE2 4.24Å; I89-F91 HydrophobicContact CG1-CZ 4.36Å; I89-F91 WeakPolarHBondContact O-CD2 3.47Å; I89-F91 PolarHBondContact O-N 3.22Å; I89-F91 VanDerWaalsContact O-N 3.11Å
90Y66.1Low68Low95 Ų9589.8 Ų89.837%0.37342%0.42SS..  trans-54.4121149.8-69-69.9000106.9N88 Q92 K99 L100N88-Y90 PolarHBondContact O-N 3.2Å; N88-Y90 WeakPolarHBondContact OD1-CD2 3.4Å; N88-Y90 WeakPolarHBondContact OD1-CE2 3.38Å; Y90-Q92 PolarHBondContact O-N 3.45Å; Y90-K99 HydrophobicContact CD1-CB 4.12Å; Y90-K99 HydrophobicContact CD2-CD 4.31Å; Y90-K99 HydrophobicContact CG-CB 3.87Å; Y90-K99 HydrophobicContact CG-CD 4.39Å; Y90-K99 HydrophobicContact CG-CG 4.41Å; Y90-L100 CarbonylContact C-O 3.52Å; Y90-L100 WeakPolarHBondContact CA-O 3.46Å
91F61.3Low68.1Low64 Ų6497.9 Ų97.928%0.28145%0.45SS..EExtended strand (participates in β ladder)trans-73.8113.4173.2-72.9-84000107I89 L100 Y103 L106I89-F91 HydrophobicContact CD1-CE2 4.49Å; I89-F91 HydrophobicContact CD1-CZ 4.19Å; I89-F91 HydrophobicContact CG1-CE2 4.24Å; I89-F91 HydrophobicContact CG1-CZ 4.36Å; I89-F91 WeakPolarHBondContact O-CD2 3.47Å; I89-F91 PolarHBondContact O-N 3.22Å; I89-F91 VanDerWaalsContact O-N 3.11Å; F91-L100 PolarHBondContact N-O 2.87Å; F91-L100 PolarHBondContact O-N 3.42Å; F91-Y103 HydrophobicContact CD1-CD2 4.11Å; F91-Y103 AromaticContact CE1-CD2 3.93Å; F91-Y103 HydrophobicContact CE1-CD2 3.93Å; F91-Y103 HydrophobicContact CE1-CG 4.48Å; F91-Y103 HydrophobicContact CZ-CD2 4.42Å; F91-L106 HydrophobicContact CB-CB 3.74Å; F91-L106 HydrophobicContact CB-CD2 3.62Å; F91-L106 HydrophobicContact CB-CG 4.11Å; F91-L106 HydrophobicContact CD1-CD2 4.17Å; F91-L106 HydrophobicContact CG-CB 4.48Å; F91-L106 HydrophobicContact CG-CD2 4.27Å
92Q74.1Confident68.3Low104 Ų10499.6 Ų99.649%0.48646%0.462SS..EExtended strand (participates in β ladder)trans-86.1129.5-179.4-173.2166.446.300110.1Y90 R97 T98Y90-Q92 PolarHBondContact O-N 3.45Å; Q92-R97 HydrophobicContact CG-CB 4.28Å; Q92-R97 HydrophobicContact CG-CG 4.21Å; Q92-R97 PolarHBondContact NE2-O 2.06Å; Q92-T98 WeakPolarHBondContact CA-O 3.47Å
93C82.1Confident68.5Low0 Ų098.1 Ų98.10%046%0.458CS..  trans-73.4130.4170-176.50000110.8S95 C96 R97 T98 L106 C113C93-S95 VanDerWaalsContact C-N 3.34Å; C93-S95 PolarHBondContact O-N 3.45Å; C93-C96 PolarHBondContact SG-SG 2.81Å; C93-R97 WeakPolarHBondContact O-CA 3.49Å; C93-R97 PolarHBondContact O-N 3Å; C93-T98 WeakPolarHBondContact CB-OG1 3.39Å; C93-T98 PolarHBondContact N-O 3.32Å; C93-L106 HydrophobicContact CB-CD1 3.94Å; C93-C113 VanDerWaalsContact SG-SG 3.68Å
94E82Confident69.3Low145 Ų145101.2 Ų101.268%0.67847%0.465SS*.THydrogen-bonded Turntrans-62.7-42.3177.9-169.556.1-141.800111.8R118E94-R118 PolarHBondContact O-NH2 2.93Å
95S79Confident70.4Confident49 Ų4999.6 Ų99.634%0.34346%0.464SS..THydrogen-bonded Turntrans-69.5-49.5-175.4-530000112.7C93 R118C93-S95 VanDerWaalsContact C-N 3.34Å; C93-S95 PolarHBondContact O-N 3.45Å; S95-R118 WeakPolarHBondContact O-CG 3.33Å; S95-R118 PolarHBondContact O-NE 3.35Å
96C81.1Confident71.7Confident48 Ų4891 Ų9132%0.32443%0.431SS..THydrogen-bonded Turntrans-116.61.8-172.8420000115C93 T98 H109 C113C93-C96 PolarHBondContact SG-SG 2.81Å; C96-T98 HydrophobicContact CB-CG2 4.27Å; C96-T98 PolarHBondContact O-N 2.93Å; C96-H109 PolarHBondContact SG-CE1 2.76Å; C96-H109 PolarHBondContact SG-NE2 3.37Å; C96-C113 WeakPolarHBondContact CB-SG 3.43Å; C96-C113 WeakPolarHBondContact SG-CB 3.42Å; C96-C113 CovalentContact SG-SG 2.06Å; C96-C113 PolarHBondContact SG-SG 2.73Å
97R77.8Confident73.2Confident133 Ų13386.5 Ų86.550%0.50241%0.414SS..  trans54.614.6177.1-78.3-175.8-169.8142.35.3116.5Q92 C93 R118Q92-R97 HydrophobicContact CG-CB 4.28Å; Q92-R97 HydrophobicContact CG-CG 4.21Å; Q92-R97 PolarHBondContact NE2-O 2.06Å; C93-R97 WeakPolarHBondContact O-CA 3.49Å; C93-R97 PolarHBondContact O-N 3Å; R97-R118 VanDerWaalsContact CD-NH2 3.28Å; R97-R118 VanDerWaalsContact CG-NH2 3.29Å; R97-R118 VanDerWaalsContact CZ-NH2 3.25Å; R97-R118 VanDerWaalsContact NE-NH2 3.14Å
98T76.5Confident74.7Confident52 Ų5285.6 Ų85.632%0.31941%0.413SS..  trans-60.9134.5171.251.20000109.8Q92 C93 C96 H109Q92-T98 WeakPolarHBondContact CA-O 3.47Å; C93-T98 WeakPolarHBondContact CB-OG1 3.39Å; C93-T98 PolarHBondContact N-O 3.32Å; C96-T98 HydrophobicContact CB-CG2 4.27Å; C96-T98 PolarHBondContact O-N 2.93Å; T98-H109 PolarHBondContact OG1-CE1 3.06Å; T98-H109 PolarHBondContact OG1-NE2 3.43Å
99K78.4Confident76.3Confident148 Ų14882.3 Ų82.364%0.64339%0.394SS*.EExtended strand (participates in β ladder)trans-94114.1179-77.2-178.9-173.3177.10108.6Y90Y90-K99 HydrophobicContact CD1-CB 4.12Å; Y90-K99 HydrophobicContact CD2-CD 4.31Å; Y90-K99 HydrophobicContact CG-CB 3.87Å; Y90-K99 HydrophobicContact CG-CD 4.39Å; Y90-K99 HydrophobicContact CG-CG 4.41Å
100L75.9Confident77.4Confident40 Ų4080.7 Ų80.721%0.20939%0.385CS..EExtended strand (participates in β ladder)trans-109.9136.1-175.1-67.1162.8000110.9Y90 F91 S102 L106 H109Y90-L100 CarbonylContact C-O 3.52Å; Y90-L100 WeakPolarHBondContact CA-O 3.46Å; F91-L100 PolarHBondContact N-O 2.87Å; F91-L100 PolarHBondContact O-N 3.42Å; L100-S102 PolarHBondContact O-N 3.36Å; L100-L106 HydrophobicContact CB-CB 4.48Å; L100-L106 HydrophobicContact CD1-CB 4.1Å; L100-L106 HydrophobicContact CD1-CD1 3.87Å; L100-H109 HydrophobicContact CD1-CB 3.51Å
101R72.1Confident78Confident203 Ų20383 Ų8377%0.76640%0.399SS*.SBendtrans-71.5-11.1-173.4-171.467.883.469.5-0113.4
102S69.3Low79.1Confident56 Ų5685.1 Ų85.139%0.39242%0.418SS..SBendtrans-149.2150179.773.70000113.2L100 R104 G105 L106L100-S102 PolarHBondContact O-N 3.36Å; S102-R104 VanDerWaalsContact C-N 3.29Å; S102-R104 PolarHBondContact O-N 3.46Å; S102-G105 PolarHBondContact O-N 3.46Å; S102-G105 VanDerWaalsContact O-N 3.16Å; S102-G105 PolarHBondContact OG-N 2.79Å; S102-L106 PolarHBondContact O-N 3.04Å
103Y70.8Confident79.3Confident124 Ų12480.6 Ų80.649%0.48640%0.397SS..Hα-helixtrans-61.4-36.5175.4178.9-111.2000112.6F91 G105 L106 L107F91-Y103 HydrophobicContact CD1-CD2 4.11Å; F91-Y103 AromaticContact CE1-CD2 3.93Å; F91-Y103 HydrophobicContact CE1-CD2 3.93Å; F91-Y103 HydrophobicContact CE1-CG 4.48Å; F91-Y103 HydrophobicContact CZ-CD2 4.42Å; Y103-G105 VanDerWaalsContact C-N 3.35Å; Y103-L106 PolarHBondContact O-N 2.91Å; Y103-L107 HydrophobicContact CD2-CD1 4.19Å; Y103-L107 HydrophobicContact CE1-CD1 4.02Å; Y103-L107 HydrophobicContact CE1-CD2 4.12Å; Y103-L107 HydrophobicContact CE2-CD1 3.57Å; Y103-L107 VanDerWaalsContact CZ-CD1 3.48Å; Y103-L107 PolarHBondContact O-N 2.7Å
104R78.5Confident78.6Confident178 Ų17884.3 Ų84.367%0.67242%0.424SS*.Hα-helixtrans-63.3-41.4174.1-65.5-83.678.8176.71.2111.4S102 L107 A108S102-R104 VanDerWaalsContact C-N 3.29Å; S102-R104 PolarHBondContact O-N 3.46Å; R104-L107 VanDerWaalsContact NH2-CD2 3.33Å; R104-L107 PolarHBondContact O-N 3.48Å; R104-A108 PolarHBondContact O-N 3.31Å; R104-A108 VanDerWaalsContact O-N 3.16Å
105G82.3Confident77.5Confident26 Ų2686 Ų8627%0.26843%0.429SS..Hα-helixtrans-65.3-40.9173.500000112.7S102 Y103 H109S102-G105 PolarHBondContact O-N 3.46Å; S102-G105 VanDerWaalsContact O-N 3.16Å; S102-G105 PolarHBondContact OG-N 2.79Å; Y103-G105 VanDerWaalsContact C-N 3.35Å; G105-H109 WeakPolarHBondContact O-CB 3.09Å; G105-H109 PolarHBondContact O-N 2.72Å
106L82.8Confident76.3Confident17 Ų1788.2 Ų88.29%0.08944%0.44CS..Hα-helixtrans-60.1-46.9173.1177.867.3000112.1F91 C93 L100 S102 Y103 H109 L110F91-L106 HydrophobicContact CB-CB 3.74Å; F91-L106 HydrophobicContact CB-CD2 3.62Å; F91-L106 HydrophobicContact CB-CG 4.11Å; F91-L106 HydrophobicContact CD1-CD2 4.17Å; F91-L106 HydrophobicContact CG-CB 4.48Å; F91-L106 HydrophobicContact CG-CD2 4.27Å; C93-L106 HydrophobicContact CB-CD1 3.94Å; L100-L106 HydrophobicContact CB-CB 4.48Å; L100-L106 HydrophobicContact CD1-CB 4.1Å; L100-L106 HydrophobicContact CD1-CD1 3.87Å; S102-L106 PolarHBondContact O-N 3.04Å; Y103-L106 PolarHBondContact O-N 2.91Å; L106-H109 CarbonylContact O-C 3.54Å; L106-H109 PolarHBondContact O-N 3.06Å; L106-L110 HydrophobicContact CD1-CD1 4.15Å; L106-L110 HydrophobicContact CD1-CD2 4.41Å; L106-L110 HydrophobicContact CD1-CG 3.96Å; L106-L110 HydrophobicContact CD2-CD1 4.17Å; L106-L110 HydrophobicContact CG-CD1 3.8Å; L106-L110 HydrophobicContact CG-CG 4.09Å; L106-L110 WeakPolarHBondContact O-CB 3.42Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.06Å; L106-L110 PolarHBondContact O-N 2.72Å
107L82.1Confident74.8Confident40 Ų4091.6 Ų91.621%0.20946%0.461CS..Hα-helixtrans-60.6-52.4179.7-109.862.8000111.6Y103 R104 H109 L110 H111Y103-L107 HydrophobicContact CD2-CD1 4.19Å; Y103-L107 HydrophobicContact CE1-CD1 4.02Å; Y103-L107 HydrophobicContact CE1-CD2 4.12Å; Y103-L107 HydrophobicContact CE2-CD1 3.57Å; Y103-L107 VanDerWaalsContact CZ-CD1 3.48Å; Y103-L107 PolarHBondContact O-N 2.7Å; R104-L107 VanDerWaalsContact NH2-CD2 3.33Å; R104-L107 PolarHBondContact O-N 3.48Å; L107-H109 PolarHBondContact O-N 3.03Å; L107-L110 HydrophobicContact CD1-CD1 4.41Å; L107-L110 WeakPolarHBondContact O-CB 3.27Å; L107-L110 PolarHBondContact O-N 3.32Å; L107-L110 VanDerWaalsContact O-N 3.07Å; L107-H111 PolarHBondContact O-CD2 3.3Å; L107-H111 PolarHBondContact O-N 3.43Å; L107-H111 VanDerWaalsContact O-N 3.11Å
108A84Confident73.4Confident61 Ų6190.6 Ų90.650%0.50446%0.458SS..Hα-helixtrans-55.6-41.7176.600000111.6R104 H111 T112R104-A108 PolarHBondContact O-N 3.31Å; R104-A108 VanDerWaalsContact O-N 3.16Å; A108-H111 PolarHBondContact O-N 3Å; A108-T112 PolarHBondContact O-OG1 3.25Å
109H84.7Confident71.9Confident49 Ų4992.7 Ų92.723%0.22748%0.48CS..Hα-helixtrans-67.6-37.7176.3175.279.2000113.5C96 T98 L100 G105 L106 L107 H111 T112 C113C96-H109 PolarHBondContact SG-CE1 2.76Å; C96-H109 PolarHBondContact SG-NE2 3.37Å; T98-H109 PolarHBondContact OG1-CE1 3.06Å; T98-H109 PolarHBondContact OG1-NE2 3.43Å; L100-H109 HydrophobicContact CD1-CB 3.51Å; G105-H109 WeakPolarHBondContact O-CB 3.09Å; G105-H109 PolarHBondContact O-N 2.72Å; L106-H109 CarbonylContact O-C 3.54Å; L106-H109 PolarHBondContact O-N 3.06Å; L107-H109 PolarHBondContact O-N 3.03Å; H109-H111 VanDerWaalsContact C-N 3.29Å; H109-H111 PolarHBondContact O-N 3.16Å; H109-T112 CarbonylContact O-C 3.56Å; H109-T112 PolarHBondContact O-N 2.8Å; H109-T112 VanDerWaalsContact O-N 3.14Å; H109-C113 WeakPolarHBondContact NE2-CB 3.36Å; H109-C113 WeakPolarHBondContact O-CB 3.38Å; H109-C113 PolarHBondContact O-N 3.11Å
110L84.3Confident70.2Confident62 Ų6294.6 Ų94.633%0.32549%0.488SS..Hα-helixtrans-63.2-36.5176-76.8168000111.6L106 L107 T112 S114L106-L110 HydrophobicContact CD1-CD1 4.15Å; L106-L110 HydrophobicContact CD1-CD2 4.41Å; L106-L110 HydrophobicContact CD1-CG 3.96Å; L106-L110 HydrophobicContact CD2-CD1 4.17Å; L106-L110 HydrophobicContact CG-CD1 3.8Å; L106-L110 HydrophobicContact CG-CG 4.09Å; L106-L110 WeakPolarHBondContact O-CB 3.42Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.06Å; L106-L110 PolarHBondContact O-N 2.72Å; L107-L110 HydrophobicContact CD1-CD1 4.41Å; L107-L110 WeakPolarHBondContact O-CB 3.27Å; L107-L110 PolarHBondContact O-N 3.32Å; L107-L110 VanDerWaalsContact O-N 3.07Å; L110-T112 PolarHBondContact O-N 3.27Å; L110-S114 VanDerWaalsContact O-CB 3.3Å; L110-S114 WeakPolarHBondContact O-CB 2.8Å; L110-S114 PolarHBondContact O-N 2.88Å; L110-S114 VanDerWaalsContact O-N 3.14Å; L110-S114 PolarHBondContact O-OG 2.93Å
111H79.6Confident68.7Low144 Ų14498.2 Ų98.267%0.66751%0.514SS*.Hα-helixtrans-62.1-29.3175.4-70.9-73.3000112.5L107 A108 H109 S114L107-H111 PolarHBondContact O-CD2 3.3Å; L107-H111 PolarHBondContact O-N 3.43Å; L107-H111 VanDerWaalsContact O-N 3.11Å; A108-H111 PolarHBondContact O-N 3Å; H109-H111 VanDerWaalsContact C-N 3.29Å; H109-H111 PolarHBondContact O-N 3.16Å; H111-S114 PolarHBondContact O-OG 3.15Å
112T84.4Confident66.7Low108 Ų10897.2 Ų97.266%0.66352%0.515SS*.Hα-helixtrans-99.2-36.6178.9-46.10000113.3A108 H109 L110 S114A108-T112 PolarHBondContact O-OG1 3.25Å; H109-T112 CarbonylContact O-C 3.56Å; H109-T112 PolarHBondContact O-N 2.8Å; H109-T112 VanDerWaalsContact O-N 3.14Å; L110-T112 PolarHBondContact O-N 3.27Å; T112-S114 VanDerWaalsContact C-N 3.34Å; T112-S114 PolarHBondContact O-N 3.32Å
113C77.4Confident65Low9 Ų998.5 Ų98.56%0.06153%0.529CS..Hα-helixtrans-78-14.1-178-1790000113C93 C96 H109 K115 V116C93-C113 VanDerWaalsContact SG-SG 3.68Å; C96-C113 WeakPolarHBondContact CB-SG 3.43Å; C96-C113 WeakPolarHBondContact SG-CB 3.42Å; C96-C113 CovalentContact SG-SG 2.06Å; C96-C113 PolarHBondContact SG-SG 2.73Å; H109-C113 WeakPolarHBondContact NE2-CB 3.36Å; H109-C113 WeakPolarHBondContact O-CB 3.38Å; H109-C113 PolarHBondContact O-N 3.11Å; C113-K115 PolarHBondContact O-N 2.85Å; C113-K115 VanDerWaalsContact O-N 3.09Å; C113-V116 PolarHBondContact O-N 3.49Å
114S67.9Low63.3Low79 Ų7997.1 Ų97.155%0.55254%0.543SS*.THydrogen-bonded Turntrans-63-12.317556.80000114.9L110 H111 T112L110-S114 VanDerWaalsContact O-CB 3.3Å; L110-S114 WeakPolarHBondContact O-CB 2.8Å; L110-S114 PolarHBondContact O-N 2.88Å; L110-S114 VanDerWaalsContact O-N 3.14Å; L110-S114 PolarHBondContact O-OG 2.93Å; H111-S114 PolarHBondContact O-OG 3.15Å; T112-S114 VanDerWaalsContact C-N 3.34Å; T112-S114 PolarHBondContact O-N 3.32Å
115K58.5Low61Low180 Ų18096.2 Ų96.278%0.78355%0.547SS*.THydrogen-bonded Turntrans-107.34.9-176.2-62.1-170.9-177-167.20115.3C113 P117C113-K115 PolarHBondContact O-N 2.85Å; C113-K115 VanDerWaalsContact O-N 3.09Å; K115-P117 WeakPolarHBondContact O-CD 3.04Å
116V54Low58.8Low96 Ų96100 Ų10058%0.58257%0.566SS**  trans-111.4105.7-178.1-174.60000109.8C113 R118C113-V116 PolarHBondContact O-N 3.49Å; V116-R118 PolarHBondContact O-N 3.02Å
117P49.2Very low56.2Low118 Ų118105.3 Ų105.377%0.76660%0.6SS**PPolyproline II helixtrans-59.6131.3162-15.629.1000108.5K115 A119K115-P117 WeakPolarHBondContact O-CD 3.04Å; P117-A119 PolarHBondContact O-N 3.36Å
118R47.8Very low54.1Low113 Ų113107 Ų10743%0.42662%0.62SS.*PPolyproline II helixtrans-51.7123.5-176.7-77.6-164177.5179.66.7112.9E94 S95 R97 V116E94-R118 PolarHBondContact O-NH2 2.93Å; S95-R118 WeakPolarHBondContact O-CG 3.33Å; S95-R118 PolarHBondContact O-NE 3.35Å; R97-R118 VanDerWaalsContact CD-NH2 3.28Å; R97-R118 VanDerWaalsContact CG-NH2 3.29Å; R97-R118 VanDerWaalsContact CZ-NH2 3.25Å; R97-R118 VanDerWaalsContact NE-NH2 3.14Å; V116-R118 PolarHBondContact O-N 3.02Å
119A45.4Very low52.2Low95 Ų95109.7 Ų109.779%0.78563%0.632SS**PPolyproline II helixtrans-70.4125.8143.900000108P117P117-A119 PolarHBondContact O-N 3.36Å
120K43.3Very low49.8Very low189 Ų189113 Ų11382%0.82266%0.655SS**PPolyproline II helixtrans-55.3137-179.7-64.7173.1176.6174.90110.3K122K120-K122 PolarHBondContact O-N 3.05Å
121P44.2Very low47.4Very low115 Ų115118 Ų11875%0.74768%0.681SS**  trans-64108.6159.726.5-28.8000107.1A123P121-A123 PolarHBondContact O-N 2.85Å
122K30.1Very low45.1Very low183 Ų183115.5 Ų115.580%0.79669%0.686SS**  trans-67.6104.6174.2-173.8157.5178.21800107.4K120K120-K122 PolarHBondContact O-N 3.05Å
123A33.9Very low42.4Very low83 Ų83114.7 Ų114.769%0.68669%0.69SS**  trans-56144.7161.800000109.3P121P121-A123 PolarHBondContact O-N 2.85Å
124A35Very low40.2Very low94 Ų94121.3 Ų121.378%0.77773%0.73SS**  trans7.5112.8158.400000116P126A124-P126 WeakPolarHBondContact O-CD 3.44Å
125E29.9Very low38.5Very low160 Ų160122 Ų12275%0.74874%0.741SS**  trans-83.4120.1158.6-171-154.7120.700108.6
126P35.7Very low37.1Very low105 Ų105118.1 Ų118.168%0.68274%0.742SS**  trans-112.1126.5140.831.2-23.8000110.1A124A124-P126 WeakPolarHBondContact O-CD 3.44Å
127T28.5Very low36.2Very low128 Ų128119.9 Ų119.979%0.78576%0.759SS**  trans75.2109.3143-46.10000118.6
128A39Very low35.6Very low77 Ų77122.4 Ų122.464%0.63677%0.766SS**  trans-61.2172.4158.800000111.7
129P43.4Very low35Very low117 Ų117122.4 Ų122.476%0.7678%0.783SS**  cis-153.5-178.234.334.2-6.8000119.3
130V34.9Very low34.5Very low118 Ų118122.3 Ų122.372%0.71578%0.782SS**  trans102.1105.1150.2-164.50000120.1
131L33.8Very low34.1Very low166 Ų166119.2 Ų119.287%0.86978%0.781SS**  24.8147.8128.1-49.1176.3000119.4
132A30.1Very low33.6Very low93 Ų93125.2 Ų125.277%0.76979%0.789SS**  cis-172.7155.8-3.800000106.8
133A29.3Very low33.4Very low91 Ų91122.9 Ų122.975%0.75279%0.791SS**  trans156.5110141.400000114.3
134V30.7Very low33.3Very low147 Ų147124.2 Ų124.289%0.89180%0.795SS**  trans32.3127.7136.5-71.80000123.2
135A32.1Very low33Very low95 Ų95127.8 Ų127.879%0.78580%0.796SS**  159.799.6125.900000108.9
136A29.3Very low33.2Very low97 Ų97127.3 Ų127.380%0.80280%0.797SS**  57100.993.600000114.3
137S34.4Very low33.1Very low134 Ų134126.7 Ų126.794%0.93780%0.801SS**  trans-161108.7143.5-78.70000108.6
138N36.3Very low33.9Very low170 Ų170126.2 Ų126.291%0.90980%0.8SS**  trans-101.3132.8179.9-156.715.6000107.3
139S34.7Very low34.2Very low114 Ų114127.1 Ų127.180%0.79780%0.799SS**  trans-112.6120.6168.242.10000109.5
140A36.9Very low33.5Very low92 Ų92128 Ų12876%0.7679%0.794SS**  trans-55.7176.9174.400000113.3
141P34.5Very low33.4Very low124 Ų124130.8 Ų130.881%0.80580%0.803SS**  cis-135.6171.716.137.4-16.4000117
142R32.7Very low33.2Very low241 Ų241130.4 Ų130.491%0.90980%0.797SS**  trans-112.3145.2163.9-78-156.3164.7-150.5-3.5109.6
143T27.3Very low33.1Very low135 Ų135131.7 Ų131.783%0.82880%0.801SS**  trans-166.4126.8137.538.10000111
144S30.7Very low33.3Very low111 Ų111133.4 Ų133.478%0.77680%0.801SS**  trans57.3139.8149.4-49.10000118.9
145E28.1Very low33.5Very low169 Ų169131.4 Ų131.479%0.7979%0.794SS**  cis-175.3148.440.5-169.216893.500111.7
146L34.5Very low34.4Very low150 Ų150131.4 Ų131.479%0.78579%0.786SS**  trans56.6101.1157.9-93.181.5000124.5
147A33.1Very low34.6Very low91 Ų91134.7 Ų134.775%0.75278%0.784SS**  52.5165.1111.300000123.4
148P45.3Very low34.6Very low119 Ų119136.4 Ų136.477%0.77378%0.778SS**  -125.7-155.9-111.434.8-8.5000111.2
149P45.9Very low34.5Very low96 Ų96132.3 Ų132.362%0.62377%0.767SS**  cis-153.1-17917.942.5-17.3000120.9
150Q28.8Very low35Very low136 Ų136131.9 Ų131.964%0.63676%0.762SS**  trans73.7122.2155.8-46.8-51.3-5.600120
151L32.9Very low34.9Very low175 Ų175134.1 Ų134.192%0.91676%0.76SS**  -153.5130.295.2-79-172.9000111
152E28.8Very low35Very low158 Ų158135.6 Ų135.674%0.73876%0.756SS**  trans-55.2139.1178.7-141.978.76900113.3
153S29.3Very low34.9Very low121 Ų121129.1 Ų129.185%0.84674%0.743SS**  trans-145.5106.9153.6-163.70000110.5
154V33.8Very low35.1Very low127 Ų127128.8 Ų128.877%0.7774%0.741SS**  trans-79.6111.3174.9140.90000109.5
155S34.2Very low35.1Very low104 Ų104128.6 Ų128.673%0.72774%0.74SS**  27.9171.9121.3-128.80000122.1
156P50.2Low35.7Very low96 Ų96126.9 Ų126.962%0.62374%0.74SS**  -131.3-165.5-100.340.2-19.1000113.9
157Q33.7Very low36.4Very low165 Ų165125.7 Ų125.777%0.77174%0.742SS**  trans105.2139.4169.9-60.4162.594.900112.9
158Q35.2Very low36.4Very low171 Ų171126.8 Ų126.880%0.79974%0.744SS**  cis-164.6146.923.6-140.9155.7-50.200108.7
159A34.8Very low35.7Very low83 Ų83125.5 Ų125.569%0.68674%0.743SS**  trans-78.9172.2158.100000108.6
160P43.5Very low35.5Very low105 Ų105127 Ų12768%0.68275%0.75SS**  cis-153-177.745.532.2-4.8000117.5
161I35.8Very low36.2Very low140 Ų140126.4 Ų126.472%0.71876%0.758SS**  trans67.6136.2152.244.2-177.6000117.9
162Q37.2Very low36.6Very low154 Ų154124.1 Ų124.172%0.7275%0.751SS**  cis-171.7146.630.8-134.6174136.100112.1
163T30Very low37.8Very low105 Ų105122.2 Ų122.264%0.64475%0.753SS**  trans64.3122.3135.534.30000124.1
164T30.3Very low37.8Very low129 Ų129123.3 Ų123.379%0.79175%0.749SS**  trans58.8143.4135.531.30000118.8
165S32.1Very low38Very low106 Ų106122 Ų12274%0.74175%0.745SS**  cis-174.714422.330.20000107.9
166V41Very low38Very low133 Ų133122 Ų12281%0.80675%0.752SS**  trans-74.3163.9154.2-68.40000109.2
167P48.3Very low37.3Very low125 Ų125124.9 Ų124.981%0.81276%0.762SS**  -142157.890.133.5-15.7000115.8
168S32.4Very low38.7Very low114 Ų114122.2 Ų122.280%0.79776%0.759SS**  trans-59151.7162.7-164.40000112.7
169A31.6Very low39.5Very low92 Ų92120.4 Ų120.476%0.7676%0.762SS**  174.7130.6128.500000112
170V41.4Very low39.4Very low128 Ų128120.3 Ų120.378%0.77677%0.769SS**  trans-88145.5157.7-176.90000107.1
171P44.4Very low39.2Very low123 Ų123124.2 Ų124.280%0.79978%0.783SS**  -144.8143.6113.327.2-6.5000114.7
172V40.2Very low39.2Very low127 Ų127121 Ų12177%0.7779%0.785SS**  trans-81.9164.2150.5-87.40000108.4
173P54.2Low40Very low119 Ų119119.4 Ų119.477%0.77379%0.788SS**  cis-152.4-173.636.637.8-12.9000117.9
174D29.6Very low40.9Very low144 Ų144120.8 Ų120.877%0.7780%0.799SS**  trans121.6117.1137.1-141-106.9000121.2
175S36.9Very low41.1Very low98 Ų98122.9 Ų122.969%0.68580%0.802SS**  trans66.2130140.6-63.70000127.8
176A34.2Very low41.4Very low104 Ų104125.6 Ų125.686%0.8681%0.807SS**  trans92.8122.3133.900000123.3
177D35.8Very low40.9Very low158 Ų158125.3 Ų125.385%0.84581%0.811SS**  trans-72.4-171.8170.3-82.8-84.2000115.3
178P63.4Low40.4Very low109 Ų109126.9 Ų126.971%0.70881%0.812SS**  -123.6-169-7542.4-22.6000110.7
179P51.8Low40.5Very low132 Ų132130.9 Ų130.986%0.85782%0.818SS**  -159.3-177.876.839.5-16000116.4
180G33.3Very low40.4Very low81 Ų81134.8 Ų134.884%0.83582%0.82SS**  trans155.999.5155.400000118.1
181L38.8Very low40.3Very low187 Ų187134.5 Ų134.598%0.97982%0.818SS**  trans-79.6159.6-175.5-66160.8000115.4
182G36.1Very low40.4Very low73 Ų73134.2 Ų134.275%0.75382%0.817SS**  trans164.8117.8150.700000115.7
183P54.8Low40.8Very low121 Ų121133.3 Ų133.379%0.78681%0.813SS**PPolyproline II helixtrans-102.7155.2173.337.1-28.4000112
184P48.1Very low39.6Very low134 Ų134132.1 Ų132.187%0.8781%0.808SS**PPolyproline II helixtrans-95141.1165.533.3-26.4000112.3
185M35.3Very low39.8Very low173 Ų173133 Ų13385%0.85281%0.807SS**PPolyproline II helixtrans-69.2155.8-173.1-76.2-126.366.700115.7
186L36.8Very low39.7Very low162 Ų162138.7 Ų138.785%0.84881%0.814SS**PPolyproline II helixtrans-61.8137.5158.4-66.7165.1000111.1
187S32.3Very low39.6Very low127 Ų127138.3 Ų138.389%0.88880%0.8SS**  trans-110.8111.7158.7-88.70000109.9
188L36.3Very low39.3Very low159 Ų159139.3 Ų139.383%0.83280%0.8SS**  trans-74.2130.3161.5-148.482.7000107.3
189Q34.9Very low37.7Very low198 Ų198138 Ų13893%0.92580%0.798SS**  trans-140.6122.6156.7-157.8128.933.200112.1
190E30.3Very low37.5Very low174 Ų174137.3 Ų137.381%0.81379%0.794SS**  trans-64.5147.9-172.6-158.2157.589.800115.1
191V39.4Very low37.9Very low122 Ų122138.2 Ų138.274%0.73979%0.785SS**  trans-75.2161165-151.50000109.2
192P45.6Very low37.5Very low117 Ų117137.2 Ų137.276%0.7678%0.775SS**  -157.8-161.594.645.5-23.4000113.5
193P49.3Very low37.5Very low108 Ų108138.6 Ų138.670%0.70177%0.774SS**  -135.5-170.4-100.538.9-16.2000116.7
194S29Very low36.8Very low94 Ų94138 Ų13866%0.65777%0.77SS**  trans82141.3158.4-65.60000118.1
195Q34.5Very low36.2Very low161 Ų161138.8 Ų138.875%0.75277%0.766SS**  cis-171.5145.76.9-112.1172.45900109.1
196R34.5Very low36.1Very low219 Ų219140.9 Ų140.983%0.82676%0.764SS**  trans49.9145.4131.8-125.3-177.9176.9154.4-0.7119.1
197V31.9Very low35.8Very low96 Ų96139.9 Ų139.958%0.58276%0.76SS**  cis-167.4157.134.7-155.60000109.4
198E29.8Very low35.8Very low178 Ų178140.4 Ų140.483%0.83276%0.758SS**  trans59.7131.2142.6-116.196.590.300123.6
199A28.2Very low35.7Very low81 Ų81137.2 Ų137.267%0.66975%0.754SS**  trans-90-158.7160.900000111
200P47.6Very low35.6Very low119 Ų119132.2 Ų132.277%0.77375%0.747SS**  -101.4-153-86.435.4-15.1000108.8
201P42.4Very low35.8Very low99 Ų99132.5 Ų132.564%0.64375%0.745SS**  cis-148.9-167.413.131.6-2.2000116.5
202Q30Very low35.5Very low166 Ų166134 Ų13478%0.77675%0.748SS**  trans82.4112.9154-51.2-67-31.600119.7
203S36.5Very low34.8Very low103 Ų103132.6 Ų132.672%0.7275%0.747SS**  trans-58.1152.9151.949.90000112.4
204P41Very low34.1Very low109 Ų109132 Ų13271%0.70875%0.751SS**  -149.6140.9111.125.6-4.3000116.8
205L34.4Very low34.4Very low149 Ų149132.1 Ų132.178%0.7875%0.752SS**  trans5.4132.3144.6-57.3169.5000118.7
206R34.1Very low34.3Very low217 Ų217133.9 Ų133.982%0.81976%0.757SS**  165.715196.762.6-158.975.3-163.66.8115.1
207D30.8Very low34.7Very low142 Ų142134.7 Ų134.776%0.75976%0.76SS**  trans-16.2145.2175.3-69.3-88.6000123
208T32.5Very low35.8Very low138 Ų138135.2 Ų135.285%0.84777%0.766SS**  -176.8122104.926.70000115.2
209A33.3Very low36Very low91 Ų91135.1 Ų135.175%0.75277%0.769SS**  trans64.5124.1131.100000125.2
210A33.1Very low36.3Very low94 Ų94135.2 Ų135.278%0.77777%0.77SS**  trans74.3135.2140.500000118.2
211K34.6Very low36.7Very low180 Ų180135 Ų13578%0.78377%0.769SS**  cis-173.2144.736.2-141178.4175.8-176.90110.2
212L32.2Very low36.1Very low152 Ų152139.6 Ų139.680%0.79678%0.778SS**  trans64.1139.8152.3-68.8149.5000118.4
213A31.6Very low36.1Very low88 Ų88136.3 Ų136.373%0.72778%0.78SS**  cis-162.91652.700000109.8
214A34.8Very low35.9Very low96 Ų96136 Ų13679%0.79378%0.783SS**  trans82.574.416200000119.5
215S35.4Very low35.6Very low96 Ų96135.7 Ų135.767%0.67178%0.783SS**  0.3149.2114.4-67.30000118.2
216F32.5Very low35.5Very low198 Ų198135.1 Ų135.187%0.86878%0.781SS**  cis-165.9179.5-3.6-110.1-59.3000106.8
217R42.3Very low35.6Very low236 Ų236132.9 Ų132.989%0.89179%0.785SS**  trans-95.6-177.6-151.5-105.4-169.5-177.4-147.74.1114.1
218P55.5Low35.6Very low107 Ų107130.6 Ų130.670%0.69579%0.786SS**  trans-98.2172.9-156.441.5-35.2000113.3
219I33.2Very low35.8Very low177 Ų177128.8 Ų128.891%0.90878%0.784SS**  trans-162135.6157.4-86.4128.6000109.2
220A35.2Very low36.2Very low83 Ų83130.5 Ų130.569%0.68679%0.788SS**  trans-79.5-169.8170.900000111.3
221P54.4Low36.4Very low114 Ų114129.4 Ų129.474%0.7479%0.786SS**  cis-136.8-173.1-9.330.4-5.7000114.5
222K31.4Very low36.7Very low196 Ų196126.7 Ų126.785%0.85279%0.79SS**  trans109.5114.1151.5-64.3-171.4172.7178.30120.4
223A29.9Very low37Very low97 Ų97124.2 Ų124.280%0.80279%0.791SS**  75145.7125.100000122.8
224A31.8Very low37.2Very low95 Ų95123.3 Ų123.379%0.78578%0.784SS**  trans76.1138.7165.300000116.3
225S34.2Very low37.6Very low103 Ų103129.4 Ų129.472%0.7279%0.788SS**  cis-169.4154.9-1.2-91.10000108.5
226D32.6Very low38.2Very low138 Ų138130.1 Ų130.174%0.73879%0.79SS**  trans41.5115.1140.7-84.7-72.2000122
227L35.4Very low38.6Very low169 Ų169125.4 Ų125.489%0.88579%0.787SS**  167.6152.493.6-98.8151.9000113.1
228A32.7Very low38.5Very low95 Ų95120.1 Ų120.179%0.78579%0.787SS**  trans-79.6159.3-162.900000116.1
229A35Very low37.8Very low99 Ų99120.1 Ų120.182%0.81879%0.789SS**  trans-112.9137.7164.600000110.7
230P42.9Very low38.2Very low127 Ų127115 Ų11583%0.82577%0.774SS**  trans-101.5141.1173.935.2-27.8000113.8
231G36.8Very low39Very low71 Ų71117.3 Ų117.373%0.73278%0.779SS**  trans43.6154.1143.700000122.4
232S40.4Very low38.2Very low124 Ų124122.8 Ų122.887%0.86779%0.785SS**  cis-173.7141.8-2.5-74.30000104.9
233A38.9Very low39.1Very low100 Ų100123.8 Ų123.883%0.82678%0.783SS**  160.6156.792.700000106.9
234A36.7Very low39.7Very low69 Ų69126.5 Ų126.557%0.5778%0.777SS**  cis-175131-1600000103.9
235Y43.3Very low40.4Very low224 Ų224129.1 Ų129.188%0.87878%0.778SS**  165.6162.2104.2-90.4-63.6000109.6
236P47.8Very low40.6Very low111 Ų111131.1 Ų131.172%0.72178%0.776SS**  -110.2141.6-120.937.5-28.7000114S238P236-S238 PolarHBondContact O-N 2.97Å
237A40.4Very low41.2Very low98 Ų98128.9 Ų128.981%0.8178%0.776SS**  trans-66.4121.615900000108.6S239A237-S239 PolarHBondContact O-N 3.41Å
238S39.4Very low41.5Very low125 Ų125127.7 Ų127.787%0.87478%0.775SS**  trans-51.7111.5173.8-86.50000110.6P236 A240P236-S238 PolarHBondContact O-N 2.97Å; S238-A240 PolarHBondContact O-N 2.91Å
239S42.2Very low41.8Very low108 Ų108128.5 Ų128.576%0.75578%0.776SS**  trans-71.478.3166.545.60000109.6A237 V241A237-S239 PolarHBondContact O-N 3.41Å; S239-V241 VanDerWaalsContact C-N 3.27Å; S239-V241 PolarHBondContact O-N 3.27Å
240A41.2Very low42.3Very low70 Ų70130.1 Ų130.158%0.57978%0.781SS**  trans-7194.8153.400000106.6S238 W242S238-A240 PolarHBondContact O-N 2.91Å; A240-W242 VanDerWaalsContact C-N 3.28Å; A240-W242 PolarHBondContact O-N 2.93Å
241V50.8Low42.6Very low130 Ų130129.2 Ų129.279%0.78877%0.765SS**  trans-69.894.5163.61790000106.1S239 R243S239-V241 VanDerWaalsContact C-N 3.27Å; S239-V241 PolarHBondContact O-N 3.27Å; V241-R243 PolarHBondContact O-N 3.23Å
242W38.3Very low43.5Very low230 Ų230132.7 Ų132.787%0.87176%0.757SS**  trans-64.6105.4169.2-6870.8000106.9A240 K244A240-W242 VanDerWaalsContact C-N 3.28Å; A240-W242 PolarHBondContact O-N 2.93Å; W242-K244 PolarHBondContact O-N 2.91Å
243R50.4Low44.8Very low216 Ų216137.1 Ų137.182%0.81575%0.754SS**  trans-67.391.9166.7-171.5-177.3-72.6-111.52.5107.2V241 N245V241-R243 PolarHBondContact O-N 3.23Å; R243-N245 PolarHBondContact O-N 2.84Å
244K41.8Very low45.9Very low155 Ų155137.4 Ų137.467%0.67475%0.745SS**  trans-63.597.1168.5-169.8179.4-173.8178.10107.3W242 Q246W242-K244 PolarHBondContact O-N 2.91Å; K244-Q246 HydrophobicContact CG-CB 4.19Å; K244-Q246 PolarHBondContact O-N 3.03Å
245N47.3Very low47.5Very low149 Ų149135.4 Ų135.480%0.79773%0.725SS**  trans-71.782.8160-72.2-40.8000106.6R243 A247R243-N245 PolarHBondContact O-N 2.84Å; N245-A247 PolarHBondContact O-N 3.21Å
246Q39.4Very low49Very low146 Ų146127.4 Ų127.468%0.68269%0.693SS**  trans-70.5111.2173.2-161.1166.733.900107.5K244K244-Q246 HydrophobicContact CG-CB 4.19Å; K244-Q246 PolarHBondContact O-N 3.03Å
247A43.6Very low50.4Low90 Ų90127.6 Ų127.674%0.74468%0.684SS**  trans34.398.315300000117.8N245N245-A247 PolarHBondContact O-N 3.21Å
248V42Very low52.2Low144 Ų144127.5 Ų127.587%0.87367%0.667SS**SBendtrans-125.8109.4133.3-83.50000108.8
249S38.9Very low53.8Low113 Ų113124.7 Ų124.779%0.7965%0.645SS**  trans69113.7160.3-141.40000118.1H251S249-H251 PolarHBondContact O-N 3.14Å
250S46.4Very low54.9Low133 Ų133131.3 Ų131.393%0.9365%0.653SS**SBendtrans-62.364.4170.4-55.10000113.2
251H49.6Very low56.4Low107 Ų107129.8 Ų129.850%0.49565%0.645SS.*  trans-165.8102161-156.1-174.8000111.1S249S249-H251 PolarHBondContact O-N 3.14Å
252R54.6Low57.9Low145 Ų145131 Ų13155%0.54764%0.635SS.*  trans-176.965.4152.6-97.7149.8-159.2-111.413.9108.7N283 H287R252-N283 VanDerWaalsContact CZ-CG 3.48Å; R252-N283 VanDerWaalsContact NH1-CG 3.35Å; R252-N283 PolarHBondContact NH1-ND2 3.5Å; R252-N283 PolarHBondContact NH1-OD1 3.47Å; R252-N283 PolarHBondContact NH2-ND2 3.43Å; R252-N283 PolarHBondContact NH2-OD1 2.95Å; R252-H287 PolarHBondContact NE-NE2 3.32Å; R252-H287 PolarHBondContact NH2-CD2 3.14Å; R252-H287 PolarHBondContact NH2-NE2 3.44Å
253R67.7Low60.2Low217 Ų217121.3 Ų121.382%0.81960%0.598SS**  trans-62.2136.9154.2-174.2174.4-68.5-175.60.1105.8L255R253-L255 WeakPolarHBondContact O-CG 3.45Å; R253-L255 PolarHBondContact O-N 2.92Å
254V61.5Low62Low105 Ų105112.4 Ų112.464%0.63657%0.568SS**  trans-58.9110.5-180179.20000108.5W256V254-W256 HydrophobicContact CG1-CD2 4.08Å; V254-W256 HydrophobicContact CG1-CG 4.36Å; V254-W256 HydrophobicContact CG1-CZ2 4.37Å
255L70.7Confident64.2Low27 Ų27105.1 Ų105.114%0.14154%0.536CS..  trans-96.919.5-174.6-72.9168.5000112.8R253 V266 Q267 I282R253-L255 WeakPolarHBondContact O-CG 3.45Å; R253-L255 PolarHBondContact O-N 2.92Å; L255-V266 WeakPolarHBondContact O-CB 3.32Å; L255-V266 WeakPolarHBondContact O-CG2 3.36Å; L255-V266 PolarHBondContact O-N 3.24Å; L255-Q267 HydrophobicContact CD1-CG 4.36Å; L255-Q267 HydrophobicContact CD2-CG 3.91Å; L255-I282 HydrophobicContact CB-CD1 3.92Å; L255-I282 HydrophobicContact CB-CG1 4.37Å; L255-I282 HydrophobicContact CB-CG2 4.35Å; L255-I282 HydrophobicContact CD1-CG2 3.73Å
256W74.6Confident66Low57 Ų57102.7 Ų102.722%0.21653%0.527CS..EExtended strand (participates in β ladder)trans-137.3144.8-179.554.5-98.7000112.8V254 H258 Y263 T264 R275 M278 I282V254-W256 HydrophobicContact CG1-CD2 4.08Å; V254-W256 HydrophobicContact CG1-CG 4.36Å; V254-W256 HydrophobicContact CG1-CZ2 4.37Å; W256-H258 HydrophobicContact CE3-CB 4.47Å; W256-H258 HydrophobicContact CZ3-CB 4.08Å; W256-Y263 AromaticContact CD2-CD1 3.95Å; W256-Y263 HydrophobicContact CD2-CD1 3.95Å; W256-Y263 AromaticContact CE3-CD1 3.42Å; W256-Y263 HydrophobicContact CE3-CD1 3.42Å; W256-Y263 VanDerWaalsContact CE3-CD1 3.42Å; W256-Y263 AromaticContact CE3-CE1 3.92Å; W256-Y263 HydrophobicContact CE3-CE1 3.92Å; W256-Y263 HydrophobicContact CH2-CD1 4.02Å; W256-Y263 AromaticContact CH2-CE1 3.66Å; W256-Y263 HydrophobicContact CH2-CE1 3.66Å; W256-Y263 HydrophobicContact CZ2-CD1 4.48Å; W256-Y263 HydrophobicContact CZ2-CE1 4.34Å; W256-Y263 AromaticContact CZ3-CD1 3.47Å; W256-Y263 HydrophobicContact CZ3-CD1 3.47Å; W256-Y263 VanDerWaalsContact CZ3-CD1 3.47Å; W256-Y263 AromaticContact CZ3-CE1 3.43Å; W256-Y263 HydrophobicContact CZ3-CE1 3.43Å; W256-Y263 VanDerWaalsContact CZ3-CE1 3.43Å; W256-T264 CarbonylContact C-O 3.5Å; W256-T264 WeakPolarHBondContact CA-O 3.44Å; W256-T264 VanDerWaalsContact CB-O 3.31Å; W256-T264 WeakPolarHBondContact CB-O 3.48Å; W256-R275 HydrophobicContact CH2-CG 4.41Å; W256-R275 HydrophobicContact CZ2-CG 4.01Å; W256-M278 HydrophobicContact CB-CG 3.55Å; W256-M278 HydrophobicContact CB-SD 4.16Å; W256-M278 HydrophobicContact CG-CG 3.7Å; W256-I282 HydrophobicContact CB-CD1 4.23Å; W256-I282 HydrophobicContact CG-CD1 4.27Å
257E77.9Confident67.9Low114 Ų114101.2 Ų101.253%0.53352%0.52SS..EExtended strand (participates in β ladder)trans-102.9147.7174.9-177-179.217600109.9T259 Y263 T264E257-T259 HydrophobicContact CG-CG2 4.32Å; E257-Y263 CarbonylContact O-C 3.48Å; E257-Y263 VanDerWaalsContact O-CA 3.29Å; E257-Y263 WeakPolarHBondContact O-CA 3.21Å; E257-T264 PolarHBondContact N-O 3.09Å; E257-T264 PolarHBondContact O-N 3.44Å
258H77.4Confident69.9Low97 Ų97100.1 Ų100.145%0.44951%0.506SS..EExtended strand (participates in β ladder)trans-116.2102.3178.3178.6-94.4000111.1W256 G261 R262 Y263W256-H258 HydrophobicContact CE3-CB 4.47Å; W256-H258 HydrophobicContact CZ3-CB 4.08Å; H258-G261 PolarHBondContact NE2-N 3.44Å; H258-R262 WeakPolarHBondContact CA-O 3.33Å; H258-Y263 HydrophobicContact CB-CD1 4.5Å; H258-Y263 HydrophobicContact CB-CE1 4.47Å; H258-Y263 AromaticContact CD2-CE1 3.69Å; H258-Y263 AromaticContact CD2-CE2 3.85Å; H258-Y263 AromaticContact CD2-CZ 3.56Å
259T73.6Confident71.9Confident66 Ų6695.7 Ų95.741%0.40549%0.489SS..EExtended strand (participates in β ladder)trans-108.9104.8175.444.20000108.9E257 G261 R262E257-T259 HydrophobicContact CG-CG2 4.32Å; T259-G261 PolarHBondContact O-N 3.27Å; T259-R262 PolarHBondContact N-O 3.34Å; T259-R262 PolarHBondContact O-N 3.18Å; T259-R262 VanDerWaalsContact O-N 3.11Å
260R65.9Low74.1Confident246 Ų24694.4 Ų94.493%0.92847%0.471SS*.THydrogen-bonded Turntrans51.949.4166.5-51.717777.1112.6-1.7115.2
261G72.9Confident76.1Confident39 Ų3991.8 Ų91.840%0.40245%0.449SS..THydrogen-bonded Turntrans886.7176.400000114.5H258 T259H258-G261 PolarHBondContact NE2-N 3.44Å; T259-G261 PolarHBondContact O-N 3.27Å
262R80.9Confident77.9Confident155 Ų15588.3 Ų88.359%0.58543%0.434SS*.EExtended strand (participates in β ladder)trans-121.3139.3168.2-65-178.1-121.6-131.11.5109.6H258 T259 L272 T273H258-R262 WeakPolarHBondContact CA-O 3.33Å; T259-R262 PolarHBondContact N-O 3.34Å; T259-R262 PolarHBondContact O-N 3.18Å; T259-R262 VanDerWaalsContact O-N 3.11Å; R262-L272 CarbonylContact C-O 3.56Å; R262-L272 WeakPolarHBondContact CA-O 3.36Å; R262-T273 HydrophobicContact CG-CG2 4.07Å
263Y87.5Confident79.4Confident27 Ų2786.2 Ų86.211%0.10644%0.438CS..EExtended strand (participates in β ladder)trans-98.9127.1173.8-62.7-93.6000107.4W256 E257 H258 T271 L272 T273 R275 M278W256-Y263 AromaticContact CD2-CD1 3.95Å; W256-Y263 HydrophobicContact CD2-CD1 3.95Å; W256-Y263 AromaticContact CE3-CD1 3.42Å; W256-Y263 HydrophobicContact CE3-CD1 3.42Å; W256-Y263 VanDerWaalsContact CE3-CD1 3.42Å; W256-Y263 AromaticContact CE3-CE1 3.92Å; W256-Y263 HydrophobicContact CE3-CE1 3.92Å; W256-Y263 HydrophobicContact CH2-CD1 4.02Å; W256-Y263 AromaticContact CH2-CE1 3.66Å; W256-Y263 HydrophobicContact CH2-CE1 3.66Å; W256-Y263 HydrophobicContact CZ2-CD1 4.48Å; W256-Y263 HydrophobicContact CZ2-CE1 4.34Å; W256-Y263 AromaticContact CZ3-CD1 3.47Å; W256-Y263 HydrophobicContact CZ3-CD1 3.47Å; W256-Y263 VanDerWaalsContact CZ3-CD1 3.47Å; W256-Y263 AromaticContact CZ3-CE1 3.43Å; W256-Y263 HydrophobicContact CZ3-CE1 3.43Å; W256-Y263 VanDerWaalsContact CZ3-CE1 3.43Å; E257-Y263 CarbonylContact O-C 3.48Å; E257-Y263 VanDerWaalsContact O-CA 3.29Å; E257-Y263 WeakPolarHBondContact O-CA 3.21Å; H258-Y263 HydrophobicContact CB-CD1 4.5Å; H258-Y263 HydrophobicContact CB-CE1 4.47Å; H258-Y263 AromaticContact CD2-CE1 3.69Å; H258-Y263 AromaticContact CD2-CE2 3.85Å; H258-Y263 AromaticContact CD2-CZ 3.56Å; Y263-T271 CarbonylContact O-C 3.54Å; Y263-T271 VanDerWaalsContact O-CA 3.29Å; Y263-T271 WeakPolarHBondContact O-CA 3.43Å; Y263-L272 WeakPolarHBondContact CA-O 3.28Å; Y263-L272 WeakPolarHBondContact CB-O 3.2Å; Y263-L272 PolarHBondContact N-O 3.37Å; Y263-L272 PolarHBondContact O-N 2.84Å; Y263-T273 WeakPolarHBondContact CE2-O 3.29Å; Y263-R275 HydrophobicContact CD1-CB 4.38Å; Y263-R275 HydrophobicContact CE1-CB 3.75Å; Y263-R275 HydrophobicContact CE1-CG 3.94Å; Y263-R275 HydrophobicContact CE2-CB 4.07Å; Y263-M278 HydrophobicContact CG-CB 4.39Å; Y263-M278 WeakPolarHBondContact O-CE 3.12Å
264T88.6Confident80.3Confident28 Ų2878.8 Ų78.817%0.17241%0.414CS..EExtended strand (participates in β ladder)trans-116.2130.7178.460.30000109.5W256 E257 V266 H270 T271W256-T264 CarbonylContact C-O 3.5Å; W256-T264 WeakPolarHBondContact CA-O 3.44Å; W256-T264 VanDerWaalsContact CB-O 3.31Å; W256-T264 WeakPolarHBondContact CB-O 3.48Å; E257-T264 PolarHBondContact N-O 3.09Å; E257-T264 PolarHBondContact O-N 3.44Å; T264-V266 PolarHBondContact O-N 3.48Å; T264-H270 CarbonylContact C-O 3.48Å; T264-H270 WeakPolarHBondContact CA-O 3.26Å; T264-T271 HydrophobicContact CG2-CG2 3.47Å; T264-T271 VanDerWaalsContact CG2-CG2 3.47Å
265C87.2Confident81.4Confident2 Ų280.4 Ų80.41%0.01441%0.409CS..EExtended strand (participates in β ladder)trans-74.6124.4176.5-175.20000108.7Q267 C268 G269 H270 M278 H281 H286C265-Q267 PolarHBondContact O-N 2.7Å; C265-C268 VanDerWaalsContact SG-SG 3.62Å; C265-G269 WeakPolarHBondContact O-CA 3.47Å; C265-G269 PolarHBondContact O-N 2.87Å; C265-H270 HydrophobicContact CB-CB 4.2Å; C265-H270 PolarHBondContact N-O 3.44Å; C265-M278 HydrophobicContact CB-CE 4.1Å; C265-M278 HydrophobicContact CB-SD 3.69Å; C265-H281 WeakPolarHBondContact CB-NE2 3.17Å; C265-H281 PolarHBondContact SG-NE2 2.82Å; C265-H281 VanDerWaalsContact SG-NE2 3.39Å; C265-H286 PolarHBondContact SG-NE2 3.44Å
266V84.7Confident82.1Confident98 Ų9887.3 Ų87.359%0.59444%0.438SS*.THydrogen-bonded Turntrans-72-22.9-178.2-179.90000111.6L255 T264L255-V266 WeakPolarHBondContact O-CB 3.32Å; L255-V266 WeakPolarHBondContact O-CG2 3.36Å; L255-V266 PolarHBondContact O-N 3.24Å; T264-V266 PolarHBondContact O-N 3.48Å
267Q80.4Confident82.7Confident115 Ų11588.5 Ų88.554%0.53745%0.446SS..THydrogen-bonded Turntrans-84.8-27.5-175.8-65.9-72.820.400114L255 C265 H286L255-Q267 HydrophobicContact CD1-CG 4.36Å; L255-Q267 HydrophobicContact CD2-CG 3.91Å; C265-Q267 PolarHBondContact O-N 2.7Å; Q267-H286 WeakPolarHBondContact CB-NE2 3.32Å
268C85.5Confident83.1Confident68 Ų6883.1 Ų83.146%0.45942%0.42SS..THydrogen-bonded Turntrans-139.73.1-176.865.20000114.1C265 H270 H281 H286C265-C268 VanDerWaalsContact SG-SG 3.62Å; C268-H270 PolarHBondContact O-N 2.93Å; C268-H281 PolarHBondContact SG-CE1 3.27Å; C268-H281 PolarHBondContact SG-NE2 2.93Å; C268-H286 PolarHBondContact SG-NE2 3.01Å; C268-H286 VanDerWaalsContact SG-NE2 3.37Å
269G83.9Confident83.4Confident50 Ų5080.7 Ų80.752%0.51541%0.413SS..  trans73.41.9179.300000115.3C265 T271C265-G269 WeakPolarHBondContact O-CA 3.47Å; C265-G269 PolarHBondContact O-N 2.87Å; G269-T271 WeakPolarHBondContact O-CG2 3.45Å; G269-T271 PolarHBondContact O-N 3.45Å
270H84Confident84.1Confident86 Ų8684 Ų8440%0.39842%0.423SS..  trans-62.4132-177.1-168.865.4000111.9T264 C265 C268 L272 M278 H281T264-H270 CarbonylContact C-O 3.48Å; T264-H270 WeakPolarHBondContact CA-O 3.26Å; C265-H270 HydrophobicContact CB-CB 4.2Å; C265-H270 PolarHBondContact N-O 3.44Å; C268-H270 PolarHBondContact O-N 2.93Å; H270-L272 WeakPolarHBondContact NE2-CD2 3.05Å; H270-M278 WeakPolarHBondContact O-CE 3.49Å; H270-H281 AromaticContact CD2-CE1 3.93Å; H270-H281 AromaticContact CD2-ND1 3.67Å; H270-H281 AromaticContact CG-CE1 3.92Å
271T88.8Confident85.1Confident78 Ų7873.5 Ų73.548%0.47939%0.385SS..EExtended strand (participates in β ladder)trans-113.6128.2-175.471.40000112.1Y263 T264 G269Y263-T271 CarbonylContact O-C 3.54Å; Y263-T271 VanDerWaalsContact O-CA 3.29Å; Y263-T271 WeakPolarHBondContact O-CA 3.43Å; T264-T271 HydrophobicContact CG2-CG2 3.47Å; T264-T271 VanDerWaalsContact CG2-CG2 3.47Å; G269-T271 WeakPolarHBondContact O-CG2 3.45Å; G269-T271 PolarHBondContact O-N 3.45Å
272L86.7Confident85.6Confident35 Ų3572.3 Ų72.318%0.18337%0.369CS..EExtended strand (participates in β ladder)trans-132.8151.5179.9-66.5168.3000110.5R262 Y263 H270 E277 M278 H281R262-L272 CarbonylContact C-O 3.56Å; R262-L272 WeakPolarHBondContact CA-O 3.36Å; Y263-L272 WeakPolarHBondContact CA-O 3.28Å; Y263-L272 WeakPolarHBondContact CB-O 3.2Å; Y263-L272 PolarHBondContact N-O 3.37Å; Y263-L272 PolarHBondContact O-N 2.84Å; H270-L272 WeakPolarHBondContact NE2-CD2 3.05Å; L272-E277 HydrophobicContact CD1-CB 3.94Å; L272-M278 HydrophobicContact CB-CE 4.04Å; L272-M278 HydrophobicContact CD1-CB 4.41Å; L272-M278 HydrophobicContact CD1-CE 4.02Å; L272-M278 HydrophobicContact CG-CE 4.12Å; L272-H281 HydrophobicContact CD1-CB 4.12Å
273T87.7Confident85.7Confident101 Ų10167.4 Ų67.462%0.6236%0.355SS*.SBendtrans-87-14.7179.149.20000112.7R262 Y263R262-T273 HydrophobicContact CG-CG2 4.07Å; Y263-T273 WeakPolarHBondContact CE2-O 3.29Å
274N86.6Confident85.4Confident61 Ų6169.7 Ų69.733%0.32638%0.375SS..  trans-114.4129.9-174.7-173.7-12.4000112K276 E277 M278N274-K276 VanDerWaalsContact C-N 3.31Å; N274-K276 PolarHBondContact O-N 3.42Å; N274-K276 PolarHBondContact OD1-N 3.11Å; N274-E277 HydrophobicContact CB-CB 4.14Å; N274-E277 VanDerWaalsContact CB-CD 3.48Å; N274-E277 HydrophobicContact CB-CG 3.95Å; N274-E277 WeakPolarHBondContact CB-OE1 3.34Å; N274-E277 PolarHBondContact ND2-OE1 3.21Å; N274-E277 PolarHBondContact O-N 3.23Å; N274-M278 PolarHBondContact O-N 3.45Å
275R84.1Confident84.7Confident139 Ų13974.6 Ų74.653%0.52540%0.396SS..Hα-helixtrans-58.6-40.8177.8-174.3-176.6-67.3-157-2.7112.9W256 Y263 E277 M278 T279W256-R275 HydrophobicContact CH2-CG 4.41Å; W256-R275 HydrophobicContact CZ2-CG 4.01Å; Y263-R275 HydrophobicContact CD1-CB 4.38Å; Y263-R275 HydrophobicContact CE1-CB 3.75Å; Y263-R275 HydrophobicContact CE1-CG 3.94Å; Y263-R275 HydrophobicContact CE2-CB 4.07Å; R275-E277 VanDerWaalsContact C-N 3.35Å; R275-M278 PolarHBondContact O-N 3.14Å; R275-T279 WeakPolarHBondContact O-CB 3.22Å; R275-T279 PolarHBondContact O-N 3.43Å; R275-T279 PolarHBondContact O-OG1 3.27Å
276K85.6Confident84.3Confident171 Ų17176.4 Ų76.474%0.74340%0.404SS*.Hα-helixtrans-65.8-43.1-176.2-68.4-176.1179.7-178.80110.3N274 T279 Q280N274-K276 VanDerWaalsContact C-N 3.31Å; N274-K276 PolarHBondContact O-N 3.42Å; N274-K276 PolarHBondContact OD1-N 3.11Å; K276-T279 PolarHBondContact O-N 2.75Å; K276-Q280 PolarHBondContact O-N 2.92Å
277E85.9Confident83.3Confident83 Ų8376.6 Ų76.639%0.38840%0.398SS..Hα-helixtrans-65-42.4176.5-66.1164.9-152.200111.3L272 N274 R275 T279 Q280 H281L272-E277 HydrophobicContact CD1-CB 3.94Å; N274-E277 HydrophobicContact CB-CB 4.14Å; N274-E277 VanDerWaalsContact CB-CD 3.48Å; N274-E277 HydrophobicContact CB-CG 3.95Å; N274-E277 WeakPolarHBondContact CB-OE1 3.34Å; N274-E277 PolarHBondContact ND2-OE1 3.21Å; N274-E277 PolarHBondContact O-N 3.23Å; R275-E277 VanDerWaalsContact C-N 3.35Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 3.3Å; E277-Q280 PolarHBondContact O-N 3.14Å; E277-H281 WeakPolarHBondContact O-CB 3.15Å; E277-H281 PolarHBondContact O-N 3.45Å
278M87.2Confident82.3Confident0 Ų074.3 Ų74.30%041%0.405CS..Hα-helixtrans-61-40.8174.4-178.251.267.300112.3W256 Y263 C265 H270 L272 N274 R275 Q280 H281 I282W256-M278 HydrophobicContact CB-CG 3.55Å; W256-M278 HydrophobicContact CB-SD 4.16Å; W256-M278 HydrophobicContact CG-CG 3.7Å; Y263-M278 HydrophobicContact CG-CB 4.39Å; Y263-M278 WeakPolarHBondContact O-CE 3.12Å; C265-M278 HydrophobicContact CB-CE 4.1Å; C265-M278 HydrophobicContact CB-SD 3.69Å; H270-M278 WeakPolarHBondContact O-CE 3.49Å; L272-M278 HydrophobicContact CB-CE 4.04Å; L272-M278 HydrophobicContact CD1-CB 4.41Å; L272-M278 HydrophobicContact CD1-CE 4.02Å; L272-M278 HydrophobicContact CG-CE 4.12Å; N274-M278 PolarHBondContact O-N 3.45Å; R275-M278 PolarHBondContact O-N 3.14Å; M278-Q280 VanDerWaalsContact C-N 3.35Å; M278-H281 PolarHBondContact O-N 2.95Å; M278-I282 HydrophobicContact CG-CD1 4.14Å; M278-I282 WeakPolarHBondContact O-CD1 3.19Å; M278-I282 WeakPolarHBondContact O-CG1 3.5Å; M278-I282 PolarHBondContact O-N 3.07Å; M278-I282 HydrophobicContact SD-CD1 4.15Å; M278-I282 HydrophobicContact SD-CG1 4.37Å
279T84.6Confident80.8Confident47 Ų4778.3 Ų78.329%0.28842%0.422SS..Hα-helixtrans-67.6-37.3177.3-54.40000111.3R275 K276 E277 N283R275-T279 WeakPolarHBondContact O-CB 3.22Å; R275-T279 PolarHBondContact O-N 3.43Å; R275-T279 PolarHBondContact O-OG1 3.27Å; K276-T279 PolarHBondContact O-N 2.75Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 3.3Å; T279-N283 PolarHBondContact O-N 3.19Å; T279-N283 VanDerWaalsContact O-N 3.14Å; T279-N283 PolarHBondContact O-ND2 2.8Å; T279-N283 PolarHBondContact O-OD1 3.16Å
280Q86.6Confident79Confident135 Ų13584.9 Ų84.963%0.63144%0.436SS*.Hα-helixtrans-67.1-42174.1-177.1177.311.200112.1K276 E277 M278 I282 N283 S284K276-Q280 PolarHBondContact O-N 2.92Å; E277-Q280 PolarHBondContact O-N 3.14Å; M278-Q280 VanDerWaalsContact C-N 3.35Å; Q280-I282 VanDerWaalsContact C-N 3.35Å; Q280-I282 PolarHBondContact O-N 3.33Å; Q280-N283 PolarHBondContact O-N 2.84Å; Q280-N283 VanDerWaalsContact O-N 3.14Å; Q280-S284 WeakPolarHBondContact O-CB 3.49Å; Q280-S284 PolarHBondContact O-N 3.06Å; Q280-S284 PolarHBondContact O-OG 3.29Å
281H87.3Confident77.3Confident26 Ų2691.4 Ų91.412%0.1246%0.464CS..Hα-helixtrans-55.9-48.8174.5163.880.5000110.9C265 C268 H270 L272 E277 M278 N283 S284 Q285 H286C265-H281 WeakPolarHBondContact CB-NE2 3.17Å; C265-H281 PolarHBondContact SG-NE2 2.82Å; C265-H281 VanDerWaalsContact SG-NE2 3.39Å; C268-H281 PolarHBondContact SG-CE1 3.27Å; C268-H281 PolarHBondContact SG-NE2 2.93Å; H270-H281 AromaticContact CD2-CE1 3.93Å; H270-H281 AromaticContact CD2-ND1 3.67Å; H270-H281 AromaticContact CG-CE1 3.92Å; L272-H281 HydrophobicContact CD1-CB 4.12Å; E277-H281 WeakPolarHBondContact O-CB 3.15Å; E277-H281 PolarHBondContact O-N 3.45Å; M278-H281 PolarHBondContact O-N 2.95Å; H281-N283 VanDerWaalsContact C-N 3.28Å; H281-N283 PolarHBondContact O-N 2.89Å; H281-S284 PolarHBondContact O-N 3.02Å; H281-S284 PolarHBondContact O-OG 2.88Å; H281-S284 VanDerWaalsContact O-OG 3.13Å; H281-Q285 VanDerWaalsContact O-CB 3.28Å; H281-Q285 WeakPolarHBondContact O-CB 3.45Å; H281-Q285 WeakPolarHBondContact O-CG 3.26Å; H281-Q285 PolarHBondContact O-N 2.99Å; H281-H286 AromaticContact NE2-NE2 3.65Å
282I83.6Confident74.9Confident14 Ų1490.9 Ų90.97%0.07247%0.474CS..Hα-helixtrans-62.3-37.3177.3-67.5158.7000111.7L255 W256 M278 Q280 S284 H286 H287L255-I282 HydrophobicContact CB-CD1 3.92Å; L255-I282 HydrophobicContact CB-CG1 4.37Å; L255-I282 HydrophobicContact CB-CG2 4.35Å; L255-I282 HydrophobicContact CD1-CG2 3.73Å; W256-I282 HydrophobicContact CB-CD1 4.23Å; W256-I282 HydrophobicContact CG-CD1 4.27Å; M278-I282 HydrophobicContact CG-CD1 4.14Å; M278-I282 WeakPolarHBondContact O-CD1 3.19Å; M278-I282 WeakPolarHBondContact O-CG1 3.5Å; M278-I282 PolarHBondContact O-N 3.07Å; M278-I282 HydrophobicContact SD-CD1 4.15Å; M278-I282 HydrophobicContact SD-CG1 4.37Å; Q280-I282 VanDerWaalsContact C-N 3.35Å; Q280-I282 PolarHBondContact O-N 3.33Å; I282-S284 VanDerWaalsContact C-N 3.34Å; I282-S284 PolarHBondContact O-N 3.16Å; I282-H286 HydrophobicContact CG2-CB 4.46Å; I282-H286 CarbonylContact O-C 3.49Å; I282-H286 WeakPolarHBondContact O-CA 3.24Å; I282-H286 WeakPolarHBondContact O-CB 3.41Å; I282-H286 PolarHBondContact O-N 3.41Å; I282-H287 PolarHBondContact O-N 2.72Å
283N83.2Confident73Confident52 Ų5297.8 Ų97.828%0.27851%0.506SS..Hα-helixtrans-77.9-18.2-178.3-57.6-20.6000114.4R252 T279 Q280 H281 H287R252-N283 VanDerWaalsContact CZ-CG 3.48Å; R252-N283 VanDerWaalsContact NH1-CG 3.35Å; R252-N283 PolarHBondContact NH1-ND2 3.5Å; R252-N283 PolarHBondContact NH1-OD1 3.47Å; R252-N283 PolarHBondContact NH2-ND2 3.43Å; R252-N283 PolarHBondContact NH2-OD1 2.95Å; T279-N283 PolarHBondContact O-N 3.19Å; T279-N283 VanDerWaalsContact O-N 3.14Å; T279-N283 PolarHBondContact O-ND2 2.8Å; T279-N283 PolarHBondContact O-OD1 3.16Å; Q280-N283 PolarHBondContact O-N 2.84Å; Q280-N283 VanDerWaalsContact O-N 3.14Å; H281-N283 VanDerWaalsContact C-N 3.28Å; H281-N283 PolarHBondContact O-N 2.89Å; N283-H287 WeakPolarHBondContact O-CB 3.3Å
284S81.6Confident71Confident75 Ų75101.3 Ų101.352%0.52452%0.515SS..Hα-helixtrans-98.4-39.5177.247.60000111.6Q280 H281 I282Q280-S284 WeakPolarHBondContact O-CB 3.49Å; Q280-S284 PolarHBondContact O-N 3.06Å; Q280-S284 PolarHBondContact O-OG 3.29Å; H281-S284 PolarHBondContact O-N 3.02Å; H281-S284 PolarHBondContact O-OG 2.88Å; H281-S284 VanDerWaalsContact O-OG 3.13Å; I282-S284 VanDerWaalsContact C-N 3.34Å; I282-S284 PolarHBondContact O-N 3.16Å
285Q74.6Confident68.9Low131 Ų131103.4 Ų103.461%0.61254%0.541SS*.Hα-helixtrans-96.9-22.8-172.3-58.6-60.2-23.800114H281H281-Q285 VanDerWaalsContact O-CB 3.28Å; H281-Q285 WeakPolarHBondContact O-CB 3.45Å; H281-Q285 WeakPolarHBondContact O-CG 3.26Å; H281-Q285 PolarHBondContact O-N 2.99Å
286H78.1Confident66.7Low39 Ų3999.8 Ų99.818%0.18155%0.546CS..SBendtrans-124.42.6-175-59.4-56.3000114.2C265 Q267 C268 H281 I282 G288C265-H286 PolarHBondContact SG-NE2 3.44Å; Q267-H286 WeakPolarHBondContact CB-NE2 3.32Å; C268-H286 PolarHBondContact SG-NE2 3.01Å; C268-H286 VanDerWaalsContact SG-NE2 3.37Å; H281-H286 AromaticContact NE2-NE2 3.65Å; I282-H286 HydrophobicContact CG2-CB 4.46Å; I282-H286 CarbonylContact O-C 3.49Å; I282-H286 WeakPolarHBondContact O-CA 3.24Å; I282-H286 WeakPolarHBondContact O-CB 3.41Å; I282-H286 PolarHBondContact O-N 3.41Å; H286-G288 PolarHBondContact O-N 2.82Å
287H64.3Low64.9Low102 Ų10299.2 Ų99.247%0.47255%0.55SS.*THydrogen-bonded Turntrans-85.78.4-176.5-135.8-86.4000113.6R252 I282 N283R252-H287 PolarHBondContact NE-NE2 3.32Å; R252-H287 PolarHBondContact NH2-CD2 3.14Å; R252-H287 PolarHBondContact NH2-NE2 3.44Å; I282-H287 PolarHBondContact O-N 2.72Å; N283-H287 WeakPolarHBondContact O-CB 3.3Å
288G59.1Low62.6Low67 Ų67101.8 Ų101.869%0.69157%0.572SS**THydrogen-bonded Turntrans-132.10.3-176.100000116.7H286 K290H286-G288 PolarHBondContact O-N 2.82Å; G288-K290 PolarHBondContact O-N 2.93Å
289N53Low60.7Low152 Ų152107.7 Ų107.781%0.81361%0.607SS**  trans-84.887.6178.2-123.151.1000110.7
290K46.8Very low59.1Low188 Ų188111.2 Ų111.282%0.81763%0.631SS**  trans-53.5137.4146.7-70.4-166.6172.6-175.90107.4G288 G292G288-K290 PolarHBondContact O-N 2.93Å; K290-G292 PolarHBondContact O-N 3Å
291F47.9Very low57.1Low223 Ų223114.5 Ų114.598%0.97864%0.643SS**  trans-50.7111.4163.5-87.3-101.4000108.1
292G39.6Very low55.1Low67 Ų67122 Ų12269%0.69170%0.699SS**  trans-118.111416700000106.8K290K290-G292 PolarHBondContact O-N 3Å
293E45.9Very low53.7Low181 Ų181127.5 Ų127.585%0.84673%0.73SS**  trans-39.3151.5166.3-103.6167.578.900114.5
294E46.6Very low52.2Low174 Ų174131.4 Ų131.481%0.81375%0.754SS**  trans46.1107.6139.7-67.3-72.9123.300118.4
295A41.9Very low50.5Low105 Ų105134.6 Ų134.687%0.86877%0.767SS**  trans-151.6104.2141.300000110.9
296G37.7Very low49.1Very low63 Ų63134.8 Ų134.865%0.64978%0.776SS**  81.390.5116.600000116.8T298G296-T298 PolarHBondContact O-N 3.05Å
297I46.8Very low47.3Very low160 Ų160140.8 Ų140.882%0.82181%0.813SS**  trans-18.6121.1139.1-61.3151.1000112.6
298T38.5Very low46.2Very low137 Ų137143.3 Ų143.384%0.8484%0.836SS**  trans-140.398.5143.634.50000109G296G296-T298 PolarHBondContact O-N 3.05Å
299V47.1Very low45.3Very low123 Ų123148.8 Ų148.875%0.74585%0.846SS**PPolyproline II helixtrans-77.9125.4160.3173.60000106.7K301V299-K301 PolarHBondContact O-N 3.38Å
300P51.7Low44.7Very low121 Ų121148.5 Ų148.579%0.78685%0.849SS**PPolyproline II helixtrans-73.9119.9171.128.6-30.5000109.1
301K44Very low44.5Very low205 Ų205145.3 Ų145.389%0.89185%0.851SS**PPolyproline II helixtrans-90.5118.4171.9-169156178.6161.80108.5V299V299-K301 PolarHBondContact O-N 3.38Å
302S46.2Very low44.2Very low184 Ų184138.2 Ų138.2100%1.28784%0.84SS**  trans-78.10159.3-54.90000110.4

Retrieved 302 of 302 residues in 36.4 ms (Link to these results)