A0A096MQL4_PAPAN Loading...

Myocyte enhancer factor 2D

AlphaFold DB (F6VKY1), UniProt , Accession A0A096MQL4, Species PAPAN (Papio anubis, Olive baboon), Gene MEF2D, Length 521 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
1M66.4Low91.8Very high224 Ų224154.9 Ų154.9100%1.10373%0.726SS**  01250-163.875.379.500108.9
2G86.8Confident92.3Very high66 Ų66153 Ų15368%0.6873%0.733SS**PPolyproline II helixtrans-80.1171.9-178.900000114.4K4G2-K4 PolarHBondContact O-N 3.49Å
3R91.4Very high92.6Very high254 Ų254146.8 Ų146.896%0.95871%0.706SS**PPolyproline II helixtrans-71.9122.3171.6-65.3-176.6-176.1-176.82.2109.6
4K94.1Very high93Very high177 Ų177142.9 Ų142.977%0.7769%0.686SS**PPolyproline II helixtrans-92.9149.6172.7-65-174.2177.3-175.60110.8G2G2-K4 PolarHBondContact O-N 3.49Å
5K93.9Very high93.3Very high211 Ų211146.7 Ų146.792%0.91769%0.691SS**PPolyproline II helixtrans-66.9141.2170.4-174.7175.5174.4178.30109.1
6I94.8Very high93.5Very high86 Ų86143.1 Ų143.144%0.44168%0.678SS.*  trans-126.1153.6173.969.7173.7000109.6
7Q96.3Very high93.7Very high148 Ų148136.8 Ų136.869%0.69265%0.646SS**  trans-72.6152.8171.1-64.5-174.8-1.400110.7Q9Q7-Q9 VanDerWaalsContact C-N 3.34Å; Q7-Q9 HydrophobicContact CB-CG 4.41Å; Q7-Q9 PolarHBondContact O-N 3.36Å; Q7-Q9 VanDerWaalsContact O-N 3.14Å
8I96.1Very high93.9Very high145 Ų145133.8 Ų133.874%0.74463%0.631SS**SBendtrans-86.980.4175.7-53.4-56.5000108.5
9Q96.5Very high94.1Very high144 Ų144130.8 Ų130.867%0.67362%0.623SS**SBendtrans-138.4168.7175-61.4-16248.400109.8Q7 I11Q7-Q9 VanDerWaalsContact C-N 3.34Å; Q7-Q9 HydrophobicContact CB-CG 4.41Å; Q7-Q9 PolarHBondContact O-N 3.36Å; Q7-Q9 VanDerWaalsContact O-N 3.14Å; Q9-I11 PolarHBondContact O-N 3.36Å
10R96.4Very high94.2Very high201 Ų201126.2 Ų126.276%0.75860%0.603SS**  trans-61.8122.6174.7-179.8178.3176.3174.60.1110T12R10-T12 PolarHBondContact O-N 3.11Å
11I97.1Very high94.4Very high48 Ų48121.9 Ų121.925%0.24658%0.582CS.*  trans-70.3118.5174.9-57.8172.7000108.8Q9 N16 R17 T20Q9-I11 PolarHBondContact O-N 3.36Å; I11-N16 HydrophobicContact CG2-CB 4.17Å; I11-R17 HydrophobicContact CB-CB 3.96Å; I11-R17 HydrophobicContact CB-CG 4.25Å; I11-R17 HydrophobicContact CG2-CB 4Å; I11-R17 WeakPolarHBondContact O-CD 3.29Å; I11-R17 PolarHBondContact O-NH1 2.76Å; I11-T20 HydrophobicContact CD1-CG2 3.77Å
12T97.5Very high95.9Very high132 Ų132114.7 Ų114.781%0.8155%0.551SS**  trans-68.2-51.8-178.147.80000111.9R10 E14 R17R10-T12 PolarHBondContact O-N 3.11Å; T12-E14 PolarHBondContact O-N 3.41Å; T12-R17 PolarHBondContact O-NH1 3.48Å
13D97.2Very high96.4Very high72 Ų72118.3 Ų118.339%0.38555%0.548SS..SBendtrans-61.4121.3177.2177.9-42.4000112R15 N16 R17D13-R15 WeakPolarHBondContact OD1-CA 3.48Å; D13-R15 WeakPolarHBondContact OD1-CB 3.48Å; D13-R15 PolarHBondContact OD1-N 3.44Å; D13-N16 HydrophobicContact CB-CB 4.01Å; D13-N16 PolarHBondContact OD1-N 3.07Å; D13-N16 PolarHBondContact OD2-ND2 3.38Å; D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 PolarHBondContact O-N 3.23Å
14E97.1Very high96.7Very high92 Ų92112.8 Ų112.843%0.4353%0.527SS..Hα-helixtrans-62.8-45.1-178.2-167.465.1-127.200113.1T12 R17 Q18 H50T12-E14 PolarHBondContact O-N 3.41Å; E14-R17 PolarHBondContact O-N 3.32Å; E14-R17 IonicContact OE1-CZ 3Å; E14-R17 IonicContact OE1-NE 2.72Å; E14-R17 IonicContact OE1-NH2 3.88Å; E14-R17 PolarHBondContact OE1-NH2 3.42Å; E14-R17 IonicContact OE2-CZ 2.61Å; E14-R17 VanDerWaalsContact OE2-CZ 3.29Å; E14-R17 IonicContact OE2-NH1 3.29Å; E14-R17 PolarHBondContact OE2-NH1 3.47Å; E14-R17 IonicContact OE2-NH2 3.53Å; E14-R17 PolarHBondContact OE2-NH2 2.92Å; E14-Q18 WeakPolarHBondContact O-CB 3.45Å; E14-Q18 PolarHBondContact O-N 3.26Å; E14-H50 IonicContact OE1-CD2 3.45Å; E14-H50 IonicContact OE1-CE1 2.88Å; E14-H50 IonicContact OE1-NE2 3.96Å; E14-H50 PolarHBondContact OE1-NE2 3.26Å
15R97.6Very high96.9Very high201 Ų201106.5 Ų106.576%0.75850%0.5SS*.Hα-helixtrans-66.1-45.7-176-176.8-175.9-68.2170.1-1.5109.7D13 Q18 V19D13-R15 WeakPolarHBondContact OD1-CA 3.48Å; D13-R15 WeakPolarHBondContact OD1-CB 3.48Å; D13-R15 PolarHBondContact OD1-N 3.44Å; R15-Q18 PolarHBondContact O-N 3.03Å; R15-V19 WeakPolarHBondContact O-CG2 3.06Å; R15-V19 PolarHBondContact O-N 3.04Å
16N96.6Very high97.1Very high89 Ų89103.2 Ų103.248%0.47649%0.486SS..Hα-helixtrans-66.6-37175.5-75.6-40.4000111.8I11 D13 T20I11-N16 HydrophobicContact CG2-CB 4.17Å; D13-N16 HydrophobicContact CB-CB 4.01Å; D13-N16 PolarHBondContact OD1-N 3.07Å; D13-N16 PolarHBondContact OD2-ND2 3.38Å; N16-T20 WeakPolarHBondContact O-CB 3.3Å; N16-T20 PolarHBondContact O-N 3.01Å; N16-T20 PolarHBondContact O-OG1 2.98Å
17R97.4Very high97.3Very high35 Ų35100.7 Ų100.713%0.13248%0.481CS..Hα-helixtrans-64.1-47.2174.2-172.3165.373.1-105.17.5111.6I11 T12 D13 E14 T20 F21 H50I11-R17 HydrophobicContact CB-CB 3.96Å; I11-R17 HydrophobicContact CB-CG 4.25Å; I11-R17 HydrophobicContact CG2-CB 4Å; I11-R17 WeakPolarHBondContact O-CD 3.29Å; I11-R17 PolarHBondContact O-NH1 2.76Å; T12-R17 PolarHBondContact O-NH1 3.48Å; D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 PolarHBondContact O-N 3.23Å; E14-R17 PolarHBondContact O-N 3.32Å; E14-R17 IonicContact OE1-CZ 3Å; E14-R17 IonicContact OE1-NE 2.72Å; E14-R17 IonicContact OE1-NH2 3.88Å; E14-R17 PolarHBondContact OE1-NH2 3.42Å; E14-R17 IonicContact OE2-CZ 2.61Å; E14-R17 VanDerWaalsContact OE2-CZ 3.29Å; E14-R17 IonicContact OE2-NH1 3.29Å; E14-R17 PolarHBondContact OE2-NH1 3.47Å; E14-R17 IonicContact OE2-NH2 3.53Å; E14-R17 PolarHBondContact OE2-NH2 2.92Å; R17-T20 PolarHBondContact O-N 3.34Å; R17-F21 VanDerWaalsContact O-CB 3.29Å; R17-F21 WeakPolarHBondContact O-CB 3.42Å; R17-F21 PolarHBondContact O-N 2.63Å; R17-H50 PolarHBondContact NH2-NE2 3.41Å
18Q97.3Very high97.4Very high83 Ų8398 Ų9839%0.38847%0.471SS..Hα-helixtrans-64-46.5179.8-176.860.913.900112E14 R15 T20 F21 T22E14-Q18 WeakPolarHBondContact O-CB 3.45Å; E14-Q18 PolarHBondContact O-N 3.26Å; R15-Q18 PolarHBondContact O-N 3.03Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 3.22Å; Q18-F21 PolarHBondContact O-N 3.16Å; Q18-T22 PolarHBondContact O-N 2.95Å; Q18-T22 PolarHBondContact O-OG1 3.35Å
19V97.2Very high97.5Very high77 Ų7792.4 Ų92.447%0.46744%0.442SS..Hα-helixtrans-62.6-40.5175.7171.90000111.2R15 K23R15-V19 WeakPolarHBondContact O-CG2 3.06Å; R15-V19 PolarHBondContact O-N 3.04Å; V19-K23 HydrophobicContact CG1-CD 3.97Å; V19-K23 WeakPolarHBondContact O-CB 3.31Å; V19-K23 VanDerWaalsContact O-CG 3.31Å; V19-K23 WeakPolarHBondContact O-CG 3.37Å; V19-K23 PolarHBondContact O-N 3.22Å
20T96.7Very high97.6Very high38 Ų3890.8 Ų90.823%0.23343%0.433CS..Hα-helixtrans-68.5-40.9177.7-59.30000111.7I11 N16 R17 Q18 K23 R24I11-T20 HydrophobicContact CD1-CG2 3.77Å; N16-T20 WeakPolarHBondContact O-CB 3.3Å; N16-T20 PolarHBondContact O-N 3.01Å; N16-T20 PolarHBondContact O-OG1 2.98Å; R17-T20 PolarHBondContact O-N 3.34Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 3.22Å; T20-K23 PolarHBondContact O-N 2.96Å; T20-R24 HydrophobicContact CG2-CG 4.02Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.38Å; T20-R24 WeakPolarHBondContact O-CG 3.29Å; T20-R24 PolarHBondContact O-N 3.46Å
21F98Very high97.7Very high36 Ų3687.5 Ų87.516%0.15842%0.424CS..Hα-helixtrans-58.6-55175.9176-100.9000110.7R17 Q18 K23 R24 K25 I47 N49 F55R17-F21 VanDerWaalsContact O-CB 3.29Å; R17-F21 WeakPolarHBondContact O-CB 3.42Å; R17-F21 PolarHBondContact O-N 2.63Å; Q18-F21 PolarHBondContact O-N 3.16Å; F21-K23 VanDerWaalsContact C-N 3.29Å; F21-K23 PolarHBondContact O-N 2.92Å; F21-R24 PolarHBondContact O-N 2.86Å; F21-K25 HydrophobicContact CE1-CD 3.96Å; F21-K25 HydrophobicContact CZ-CD 3.92Å; F21-K25 WeakPolarHBondContact O-CB 3.22Å; F21-K25 PolarHBondContact O-N 2.71Å; F21-I47 HydrophobicContact CE2-CG2 3.83Å; F21-I47 HydrophobicContact CZ-CG2 4.06Å; F21-N49 HydrophobicContact CE1-CB 4.42Å; F21-N49 HydrophobicContact CE2-CB 4.33Å; F21-N49 HydrophobicContact CZ-CB 3.96Å; F21-F55 HydrophobicContact CE1-CD2 4.04Å; F21-F55 AromaticContact CE1-CE2 3.69Å; F21-F55 HydrophobicContact CE1-CE2 3.69Å; F21-F55 AromaticContact CE1-CZ 3.97Å; F21-F55 HydrophobicContact CE1-CZ 3.97Å; F21-F55 AromaticContact CZ-CD2 3.72Å; F21-F55 HydrophobicContact CZ-CD2 3.72Å; F21-F55 AromaticContact CZ-CE2 3.75Å; F21-F55 HydrophobicContact CZ-CE2 3.75Å; F21-F55 HydrophobicContact CZ-CG 4.43Å; F21-F55 HydrophobicContact CZ-CZ 4.47Å
22T97.8Very high97.8Very high73 Ų7385.8 Ų85.845%0.44842%0.417SS..Hα-helixtrans-54.1-45.7178.6-60.60000111.9Q18 F26Q18-T22 PolarHBondContact O-N 2.95Å; Q18-T22 PolarHBondContact O-OG1 3.35Å; T22-F26 PolarHBondContact O-N 3.01Å
23K96.9Very high97.8Very high143 Ų14385.8 Ų85.862%0.62240%0.403SS*.Hα-helixtrans-72.1-41.1-178.4-68.217670.8168.30113.3V19 T20 F21 G27V19-K23 HydrophobicContact CG1-CD 3.97Å; V19-K23 WeakPolarHBondContact O-CB 3.31Å; V19-K23 VanDerWaalsContact O-CG 3.31Å; V19-K23 WeakPolarHBondContact O-CG 3.37Å; V19-K23 PolarHBondContact O-N 3.22Å; T20-K23 PolarHBondContact O-N 2.96Å; F21-K23 VanDerWaalsContact C-N 3.29Å; F21-K23 PolarHBondContact O-N 2.92Å; K23-G27 PolarHBondContact O-N 2.93Å
24R98.1Very high97.9Very high137 Ų13784.9 Ų84.952%0.51740%0.397SS..Hα-helixtrans-72.2-40178.2-74.3-170.2176.7-153.5-2.1111.9T20 F21 F26 G27 L28T20-R24 HydrophobicContact CG2-CG 4.02Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.38Å; T20-R24 WeakPolarHBondContact O-CG 3.29Å; T20-R24 PolarHBondContact O-N 3.46Å; F21-R24 PolarHBondContact O-N 2.86Å; R24-F26 PolarHBondContact O-N 2.58Å; R24-G27 PolarHBondContact O-N 3.41Å; R24-L28 WeakPolarHBondContact O-CB 3.48Å; R24-L28 PolarHBondContact O-N 3.47Å
25K98.3Very high98Very high45 Ų4584.9 Ų84.920%0.19640%0.399CS..Hα-helixtrans-55.7-50.5174.2-173.2-176.176.970.60111F21 L28 M29 I47 F55F21-K25 HydrophobicContact CE1-CD 3.96Å; F21-K25 HydrophobicContact CZ-CD 3.92Å; F21-K25 WeakPolarHBondContact O-CB 3.22Å; F21-K25 PolarHBondContact O-N 2.71Å; K25-L28 PolarHBondContact O-N 2.99Å; K25-M29 HydrophobicContact CD-CE 4.15Å; K25-M29 HydrophobicContact CG-CE 3.86Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.11Å; K25-M29 VanDerWaalsContact O-CG 3.28Å; K25-M29 WeakPolarHBondContact O-CG 3.37Å; K25-M29 PolarHBondContact O-N 2.96Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; K25-F55 HydrophobicContact CD-CB 3.82Å; K25-F55 HydrophobicContact CD-CD1 3.95Å; K25-F55 HydrophobicContact CD-CD2 4.46Å; K25-F55 HydrophobicContact CD-CG 3.82Å
26F98.4Very high98Very high142 Ų14275.8 Ų75.862%0.62337%0.366SS*.Hα-helixtrans-63.8-41.4176.6-174.6-98.4000112.6T22 R24 L28 M29 K30T22-F26 PolarHBondContact O-N 3.01Å; R24-F26 PolarHBondContact O-N 2.58Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 2.66Å; F26-M29 PolarHBondContact O-N 2.93Å; F26-K30 WeakPolarHBondContact O-CB 3.27Å; F26-K30 PolarHBondContact O-N 3Å
27G98.5Very high98.1Very high34 Ų3476 Ų7635%0.35137%0.37SS..Hα-helixtrans-62.6-38175.900000113.7K23 R24 K31K23-G27 PolarHBondContact O-N 2.93Å; R24-G27 PolarHBondContact O-N 3.41Å; G27-K31 PolarHBondContact O-N 3.08Å; G27-K31 VanDerWaalsContact O-N 3.08Å
28L98.6Very high98.2Very high90 Ų9081.1 Ų81.147%0.47140%0.4SS..Hα-helixtrans-69.2-44.9175.9-175.558.7000111.6R24 K25 F26 K30 K31 A32 L45 I47R24-L28 WeakPolarHBondContact O-CB 3.48Å; R24-L28 PolarHBondContact O-N 3.47Å; K25-L28 PolarHBondContact O-N 2.99Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 2.66Å; L28-K30 VanDerWaalsContact C-N 3.31Å; L28-K30 PolarHBondContact O-N 3.1Å; L28-K31 WeakPolarHBondContact O-CB 3.44Å; L28-K31 PolarHBondContact O-N 2.9Å; L28-K31 VanDerWaalsContact O-N 3.1Å; L28-A32 PolarHBondContact O-N 3.18Å; L28-L45 HydrophobicContact CD2-CD1 4.18Å; L28-L45 HydrophobicContact CD2-CD2 3.94Å; L28-L45 HydrophobicContact CG-CD2 3.84Å; L28-I47 HydrophobicContact CD2-CD1 4.42Å
29M98.5Very high98.2Very high28 Ų2880.8 Ų80.814%0.13841%0.406CS..Hα-helixtrans-58.3-42173.3-71.6166.1165.600111.5K25 F26 K31 A32 Y33 L45 Y57K25-M29 HydrophobicContact CD-CE 4.15Å; K25-M29 HydrophobicContact CG-CE 3.86Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.11Å; K25-M29 VanDerWaalsContact O-CG 3.28Å; K25-M29 WeakPolarHBondContact O-CG 3.37Å; K25-M29 PolarHBondContact O-N 2.96Å; F26-M29 PolarHBondContact O-N 2.93Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 3.09Å; M29-A32 PolarHBondContact O-N 3.36Å; M29-Y33 WeakPolarHBondContact O-CB 3.46Å; M29-Y33 PolarHBondContact O-N 3.21Å; M29-L45 HydrophobicContact CG-CD2 4.24Å; M29-Y57 HydrophobicContact CG-CG 4.34Å
30K98.6Very high98.2Very high110 Ų11084.7 Ų84.748%0.47842%0.424SS..Hα-helixtrans-63.1-37.1174.5-169.2176.1-167.3-71.50112.6F26 L28 E34F26-K30 WeakPolarHBondContact O-CB 3.27Å; F26-K30 PolarHBondContact O-N 3Å; L28-K30 VanDerWaalsContact C-N 3.31Å; L28-K30 PolarHBondContact O-N 3.1Å; K30-E34 IonicContact NZ-OE1 2.63Å; K30-E34 PolarHBondContact NZ-OE1 3.44Å; K30-E34 WeakPolarHBondContact O-CB 3.42Å; K30-E34 VanDerWaalsContact O-CG 3.27Å; K30-E34 WeakPolarHBondContact O-CG 3.46Å; K30-E34 PolarHBondContact O-N 3.46Å
31K98.7Very high98.3Very high132 Ų13285.6 Ų85.657%0.57443%0.431SS*.Hα-helixtrans-69.7-40.1176-80.6-75.6160.3-146.40112.7G27 L28 M29 E34 L35G27-K31 PolarHBondContact O-N 3.08Å; G27-K31 VanDerWaalsContact O-N 3.08Å; L28-K31 WeakPolarHBondContact O-CB 3.44Å; L28-K31 PolarHBondContact O-N 2.9Å; L28-K31 VanDerWaalsContact O-N 3.1Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 3.09Å; K31-E34 WeakPolarHBondContact CE-OE2 3.36Å; K31-E34 IonicContact NZ-OE2 3.45Å; K31-E34 PolarHBondContact NZ-OE2 3.36Å; K31-E34 PolarHBondContact O-N 3.36Å; K31-L35 WeakPolarHBondContact O-CB 3.17Å; K31-L35 PolarHBondContact O-N 3.31Å
32A98.6Very high98.2Very high13 Ų1388 Ų8811%0.10744%0.443CS..Hα-helixtrans-62-45.8172.700000111.2L28 M29 L35 S36 I43 Y57L28-A32 PolarHBondContact O-N 3.18Å; M29-A32 PolarHBondContact O-N 3.36Å; A32-L35 PolarHBondContact O-N 2.9Å; A32-S36 PolarHBondContact O-N 2.81Å; A32-S36 PolarHBondContact O-OG 2.87Å; A32-I43 HydrophobicContact CB-CG2 4.12Å; A32-Y57 HydrophobicContact CB-CD1 3.99Å; A32-Y57 HydrophobicContact CB-CE1 3.67Å
33Y98.6Very high98.2Very high131 Ų13186.3 Ų86.351%0.51443%0.431SS..Hα-helixtrans-57.1-52.4173.5172.9-99.5000112.4M29 L35 S36 V37 Y57M29-Y33 WeakPolarHBondContact O-CB 3.46Å; M29-Y33 PolarHBondContact O-N 3.21Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.48Å; Y33-S36 WeakPolarHBondContact CA-OG 3.3Å; Y33-S36 PolarHBondContact O-N 3.41Å; Y33-S36 PolarHBondContact O-OG 2.98Å; Y33-V37 HydrophobicContact CD2-CG2 4.16Å; Y33-V37 HydrophobicContact CE1-CG2 4.35Å; Y33-V37 HydrophobicContact CE2-CG2 3.71Å; Y33-V37 WeakPolarHBondContact O-CG2 3.49Å; Y33-V37 PolarHBondContact O-N 2.82Å; Y33-Y57 VanDerWaalsContact CA-OH 3.32Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.48Å; Y33-Y57 WeakPolarHBondContact CB-OH 3.32Å
34E98.6Very high98.3Very high53 Ų5381.3 Ų81.325%0.24842%0.416CS..Hα-helixtrans-54.9-44.6177.4-75.9166.1-174.400111.9K30 K31 L38K30-E34 IonicContact NZ-OE1 2.63Å; K30-E34 PolarHBondContact NZ-OE1 3.44Å; K30-E34 WeakPolarHBondContact O-CB 3.42Å; K30-E34 VanDerWaalsContact O-CG 3.27Å; K30-E34 WeakPolarHBondContact O-CG 3.46Å; K30-E34 PolarHBondContact O-N 3.46Å; K31-E34 WeakPolarHBondContact CE-OE2 3.36Å; K31-E34 IonicContact NZ-OE2 3.45Å; K31-E34 PolarHBondContact NZ-OE2 3.36Å; K31-E34 PolarHBondContact O-N 3.36Å; E34-L38 VanDerWaalsContact O-CB 3.3Å; E34-L38 WeakPolarHBondContact O-CB 3.38Å; E34-L38 WeakPolarHBondContact O-CD1 3.44Å; E34-L38 WeakPolarHBondContact O-CG 3.28Å; E34-L38 PolarHBondContact O-N 3.22Å
35L98.6Very high98.3Very high92 Ų9276.5 Ų76.548%0.48240%0.401SS..Hα-helixtrans-66.8-44.1178.6-17561000112.4K31 A32 Y33 V37 L38 C39 I43K31-L35 WeakPolarHBondContact O-CB 3.17Å; K31-L35 PolarHBondContact O-N 3.31Å; A32-L35 PolarHBondContact O-N 2.9Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.48Å; L35-V37 VanDerWaalsContact C-N 3.32Å; L35-V37 PolarHBondContact O-N 3.33Å; L35-L38 PolarHBondContact O-N 3.31Å; L35-C39 HydrophobicContact CD1-CB 4.43Å; L35-C39 PolarHBondContact O-N 3.49Å; L35-C39 VanDerWaalsContact O-N 3.09Å; L35-I43 HydrophobicContact CB-CD1 3.98Å; L35-I43 HydrophobicContact CD2-CD1 3.93Å; L35-I43 HydrophobicContact CG-CD1 3.96Å
36S98.3Very high98.3Very high10 Ų1078.3 Ų78.37%0.0741%0.412CS..Hα-helixtrans-60.2-39.4178.859.70000112.9A32 Y33 D40 C41 S59A32-S36 PolarHBondContact O-N 2.81Å; A32-S36 PolarHBondContact O-OG 2.87Å; Y33-S36 WeakPolarHBondContact CA-OG 3.3Å; Y33-S36 PolarHBondContact O-N 3.41Å; Y33-S36 PolarHBondContact O-OG 2.98Å; S36-D40 VanDerWaalsContact O-CA 3.29Å; S36-D40 WeakPolarHBondContact O-CA 3.26Å; S36-D40 PolarHBondContact O-N 3.42Å; S36-D40 VanDerWaalsContact O-N 3.16Å; S36-C41 WeakPolarHBondContact CA-O 3.28Å; S36-C41 WeakPolarHBondContact CB-O 3.23Å; S36-C41 PolarHBondContact O-N 2.94Å; S36-S59 VanDerWaalsContact CB-CB 3.42Å; S36-S59 WeakPolarHBondContact OG-CB 3.38Å
37V98.3Very high98.3Very high93 Ų9373 Ų7356%0.56439%0.39SS*.Hα-helixtrans-78.8-37.6-179.8175.40000112.4Y33 L35Y33-V37 HydrophobicContact CD2-CG2 4.16Å; Y33-V37 HydrophobicContact CE1-CG2 4.35Å; Y33-V37 HydrophobicContact CE2-CG2 3.71Å; Y33-V37 WeakPolarHBondContact O-CG2 3.49Å; Y33-V37 PolarHBondContact O-N 2.82Å; L35-V37 VanDerWaalsContact C-N 3.32Å; L35-V37 PolarHBondContact O-N 3.33Å
38L98.6Very high98.3Very high143 Ų14377.7 Ų77.775%0.74940%0.401SS*.Hα-helixtrans-75.2-29.1-177.4-71.8171.1000113.5E34 L35E34-L38 VanDerWaalsContact O-CB 3.3Å; E34-L38 WeakPolarHBondContact O-CB 3.38Å; E34-L38 WeakPolarHBondContact O-CD1 3.44Å; E34-L38 WeakPolarHBondContact O-CG 3.28Å; E34-L38 PolarHBondContact O-N 3.22Å; L35-L38 PolarHBondContact O-N 3.31Å
39C98.5Very high98.2Very high76 Ų7674.5 Ų74.551%0.51438%0.384SS..THydrogen-bonded Turntrans-120.111.2-173.5-580000113.6L35 C41L35-C39 HydrophobicContact CD1-CB 4.43Å; L35-C39 PolarHBondContact O-N 3.49Å; L35-C39 VanDerWaalsContact O-N 3.09Å; C39-C41 VanDerWaalsContact C-N 3.35Å; C39-C41 PolarHBondContact O-N 3.08Å; C39-C41 PolarHBondContact O-SG 3.33Å
40D97.8Very high97.9Very high160 Ų16077.7 Ų77.786%0.85640%0.398SS*.THydrogen-bonded Turntrans47.352.4-175.6-15920.3000113.2S36S36-D40 VanDerWaalsContact O-CA 3.29Å; S36-D40 WeakPolarHBondContact O-CA 3.26Å; S36-D40 PolarHBondContact O-N 3.42Å; S36-D40 VanDerWaalsContact O-N 3.16Å
41C97.1Very high97.8Very high56 Ų5675.5 Ų75.538%0.37840%0.397SS..  trans-111.9131.5-171.4-73.40000112.4S36 C39 I43 S59S36-C41 WeakPolarHBondContact CA-O 3.28Å; S36-C41 WeakPolarHBondContact CB-O 3.23Å; S36-C41 PolarHBondContact O-N 2.94Å; C39-C41 VanDerWaalsContact C-N 3.35Å; C39-C41 PolarHBondContact O-N 3.08Å; C39-C41 PolarHBondContact O-SG 3.33Å; C41-I43 HydrophobicContact CB-CD1 4.39Å; C41-I43 HydrophobicContact CB-CG1 4.28Å; C41-S59 PolarHBondContact O-OG 3.02Å
42E97.5Very high97.7Very high88 Ų8875.7 Ų75.741%0.41140%0.404SS..  trans-77.4122.3168.9-65.4-169.2110.300110.6T60 V65 K68E42-T60 PolarHBondContact OE1-OG1 3.06Å; E42-V65 HydrophobicContact CB-CG2 4.18Å; E42-K68 IonicContact OE2-NZ 2.66Å; E42-K68 PolarHBondContact OE2-NZ 3.41Å
43I98Very high97.6Very high36 Ų3681.6 Ų81.619%0.18543%0.427CS..  trans-133122.8-175.2-58.7176.2000109.3A32 L35 C41 A58 S59A32-I43 HydrophobicContact CB-CG2 4.12Å; L35-I43 HydrophobicContact CB-CD1 3.98Å; L35-I43 HydrophobicContact CD2-CD1 3.93Å; L35-I43 HydrophobicContact CG-CD1 3.96Å; C41-I43 HydrophobicContact CB-CD1 4.39Å; C41-I43 HydrophobicContact CB-CG1 4.28Å; I43-A58 CarbonylContact O-C 3.55Å; I43-A58 VanDerWaalsContact O-CA 3.3Å; I43-A58 WeakPolarHBondContact O-CA 3.38Å; I43-S59 PolarHBondContact N-OG 3.34Å; I43-S59 PolarHBondContact O-N 3.19Å
44A98.1Very high97.6Very high39 Ų3979.4 Ų79.432%0.32242%0.424SS..EExtended strand (participates in β ladder)trans-106.4142165.600000110.6M62 V65A44-M62 HydrophobicContact CB-CE 4.3Å; A44-M62 HydrophobicContact CB-SD 3.92Å; A44-V65 HydrophobicContact CB-CB 4.1Å; A44-V65 HydrophobicContact CB-CG1 3.58Å
45L98.3Very high97.6Very high36 Ų3679.9 Ų79.919%0.18843%0.425CS..EExtended strand (participates in β ladder)trans-136.9119.7178.4175.163.6000109.5L28 M29 I47 Q56 Y57L28-L45 HydrophobicContact CD2-CD1 4.18Å; L28-L45 HydrophobicContact CD2-CD2 3.94Å; L28-L45 HydrophobicContact CG-CD2 3.84Å; M29-L45 HydrophobicContact CG-CD2 4.24Å; L45-I47 HydrophobicContact CD1-CD1 4.38Å; L45-I47 HydrophobicContact CD1-CG1 4.17Å; L45-I47 HydrophobicContact CD2-CD1 4.1Å; L45-I47 HydrophobicContact CG-CD1 4.13Å; L45-I47 HydrophobicContact CG-CG1 4.16Å; L45-Q56 CarbonylContact O-C 3.54Å; L45-Q56 VanDerWaalsContact O-CA 3.28Å; L45-Q56 WeakPolarHBondContact O-CA 3.31Å; L45-Y57 HydrophobicContact CB-CD1 4.43Å; L45-Y57 PolarHBondContact N-O 3.01Å; L45-Y57 PolarHBondContact O-N 2.84Å
46I98.2Very high97.5Very high83 Ų8380.4 Ų80.443%0.42643%0.425SS..EExtended strand (participates in β ladder)trans-115.4128.8179.8-64.3174.1000108.6F48 L54 M62 L66I46-F48 HydrophobicContact CG2-CD2 4.09Å; I46-F48 HydrophobicContact CG2-CE2 3.57Å; I46-F48 HydrophobicContact CG2-CZ 4.21Å; I46-L54 HydrophobicContact CG2-CD1 3.81Å; I46-M62 HydrophobicContact CD1-SD 4.42Å; I46-M62 HydrophobicContact CG1-SD 4.32Å; I46-L66 HydrophobicContact CD1-CD2 4.22Å
47I98.4Very high97.5Very high31 Ų3182 Ų8216%0.15943%0.43CS..EExtended strand (participates in β ladder)trans-134115.2-179.1-57.4169.8000109.3F21 K25 L28 L45 F55F21-I47 HydrophobicContact CE2-CG2 3.83Å; F21-I47 HydrophobicContact CZ-CG2 4.06Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; L28-I47 HydrophobicContact CD2-CD1 4.42Å; L45-I47 HydrophobicContact CD1-CD1 4.38Å; L45-I47 HydrophobicContact CD1-CG1 4.17Å; L45-I47 HydrophobicContact CD2-CD1 4.1Å; L45-I47 HydrophobicContact CG-CD1 4.13Å; L45-I47 HydrophobicContact CG-CG1 4.16Å; I47-F55 HydrophobicContact CB-CB 4.42Å; I47-F55 PolarHBondContact N-O 2.83Å; I47-F55 PolarHBondContact O-N 3.29Å
48F98.3Very high97.5Very high132 Ų13278.7 Ų78.758%0.57941%0.413SS*.EExtended strand (participates in β ladder)trans-93.8128.9165-64.6-82.2000109.7I46 L54I46-F48 HydrophobicContact CG2-CD2 4.09Å; I46-F48 HydrophobicContact CG2-CE2 3.57Å; I46-F48 HydrophobicContact CG2-CZ 4.21Å; F48-L54 HydrophobicContact CD1-CB 4.24Å; F48-L54 HydrophobicContact CD1-CD1 4.39Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 3.9Å; F48-L54 HydrophobicContact CE1-CG 4.37Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.89Å
49N95.8Very high97.5Very high23 Ų2373.7 Ų73.712%0.12339%0.389CS..  trans-80.9170.9170.6-168.715.7000110.7F21 S51 N52 K53 F55F21-N49 HydrophobicContact CE1-CB 4.42Å; F21-N49 HydrophobicContact CE2-CB 4.33Å; F21-N49 HydrophobicContact CZ-CB 3.96Å; N49-S51 PolarHBondContact O-N 3.26Å; N49-N52 WeakPolarHBondContact O-CA 3.49Å; N49-N52 PolarHBondContact O-N 3.22Å; N49-K53 PolarHBondContact N-O 3.19Å; N49-F55 HydrophobicContact CB-CE2 4.01Å
50H93.7Very high97.4Very high95 Ų9574.2 Ų74.244%0.4439%0.39SS..THydrogen-bonded Turntrans-54.3-24.3176.871.777.2000114.6E14 R17 N52E14-H50 IonicContact OE1-CD2 3.45Å; E14-H50 IonicContact OE1-CE1 2.88Å; E14-H50 IonicContact OE1-NE2 3.96Å; E14-H50 PolarHBondContact OE1-NE2 3.26Å; R17-H50 PolarHBondContact NH2-NE2 3.41Å; H50-N52 VanDerWaalsContact C-N 3.32Å
51S95.5Very high97.4Very high64 Ų6469.6 Ų69.645%0.44837%0.365SS..THydrogen-bonded Turntrans-92.418.5175.5-29.60000113.4N49 K53N49-S51 PolarHBondContact O-N 3.26Å; S51-K53 PolarHBondContact O-N 3.06Å
52N96.2Very high97.4Very high135 Ų13567.7 Ų67.772%0.72235%0.351SS*.  trans54.117.4-175.3-60.1-34.3000115.8N49 H50 L54N49-N52 WeakPolarHBondContact O-CA 3.49Å; N49-N52 PolarHBondContact O-N 3.22Å; H50-N52 VanDerWaalsContact C-N 3.32Å; N52-L54 PolarHBondContact O-N 2.81Å
53K97.6Very high97.4Very high137 Ų13769.3 Ų69.360%0.59636%0.363SS*.  trans-73.3122.9172.5-65.7-169.5178.5-170.40109.9N49 S51 F55N49-K53 PolarHBondContact N-O 3.19Å; S51-K53 PolarHBondContact O-N 3.06Å; K53-F55 HydrophobicContact CB-CE2 3.95Å; K53-F55 HydrophobicContact CB-CZ 4.37Å; K53-F55 WeakPolarHBondContact O-CD2 3.5Å; K53-F55 WeakPolarHBondContact O-CE2 3.33Å
54L97.8Very high97.3Very high85 Ų8574 Ų7445%0.44538%0.382SS..EExtended strand (participates in β ladder)trans-74134.2175.2175.958.8000111I46 F48 N52 Q56I46-L54 HydrophobicContact CG2-CD1 3.81Å; F48-L54 HydrophobicContact CD1-CB 4.24Å; F48-L54 HydrophobicContact CD1-CD1 4.39Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 3.9Å; F48-L54 HydrophobicContact CE1-CG 4.37Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.89Å; N52-L54 PolarHBondContact O-N 2.81Å; L54-Q56 HydrophobicContact CD1-CB 4.44Å
55F98.3Very high97.3Very high64 Ų6473 Ų7328%0.28137%0.372SS..EExtended strand (participates in β ladder)trans-131.2127.5164.4-57.2-94000107.8F21 K25 I47 N49 K53F21-F55 HydrophobicContact CE1-CD2 4.04Å; F21-F55 AromaticContact CE1-CE2 3.69Å; F21-F55 HydrophobicContact CE1-CE2 3.69Å; F21-F55 AromaticContact CE1-CZ 3.97Å; F21-F55 HydrophobicContact CE1-CZ 3.97Å; F21-F55 AromaticContact CZ-CD2 3.72Å; F21-F55 HydrophobicContact CZ-CD2 3.72Å; F21-F55 AromaticContact CZ-CE2 3.75Å; F21-F55 HydrophobicContact CZ-CE2 3.75Å; F21-F55 HydrophobicContact CZ-CG 4.43Å; F21-F55 HydrophobicContact CZ-CZ 4.47Å; K25-F55 HydrophobicContact CD-CB 3.82Å; K25-F55 HydrophobicContact CD-CD1 3.95Å; K25-F55 HydrophobicContact CD-CD2 4.46Å; K25-F55 HydrophobicContact CD-CG 3.82Å; I47-F55 HydrophobicContact CB-CB 4.42Å; I47-F55 PolarHBondContact N-O 2.83Å; I47-F55 PolarHBondContact O-N 3.29Å; N49-F55 HydrophobicContact CB-CE2 4.01Å; K53-F55 HydrophobicContact CB-CE2 3.95Å; K53-F55 HydrophobicContact CB-CZ 4.37Å; K53-F55 WeakPolarHBondContact O-CD2 3.5Å; K53-F55 WeakPolarHBondContact O-CE2 3.33Å
56Q98.1Very high97.2Very high102 Ų10274.6 Ų74.648%0.47738%0.38SS..EExtended strand (participates in β ladder)trans-128.5159.9-175.980.1-168.648.300112.3L45 L54 M62L45-Q56 CarbonylContact O-C 3.54Å; L45-Q56 VanDerWaalsContact O-CA 3.28Å; L45-Q56 WeakPolarHBondContact O-CA 3.31Å; L54-Q56 HydrophobicContact CD1-CB 4.44Å; Q56-M62 HydrophobicContact CB-CE 3.72Å; Q56-M62 HydrophobicContact CG-CE 3.94Å
57Y98.5Very high97.1Very high45 Ų4575.4 Ų75.418%0.17639%0.385CS..EExtended strand (participates in β ladder)trans-148.4137.5171166.4-94.3000108.8M29 A32 Y33 L45 M62M29-Y57 HydrophobicContact CG-CG 4.34Å; A32-Y57 HydrophobicContact CB-CD1 3.99Å; A32-Y57 HydrophobicContact CB-CE1 3.67Å; Y33-Y57 VanDerWaalsContact CA-OH 3.32Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.48Å; Y33-Y57 WeakPolarHBondContact CB-OH 3.32Å; L45-Y57 HydrophobicContact CB-CD1 4.43Å; L45-Y57 PolarHBondContact N-O 3.01Å; L45-Y57 PolarHBondContact O-N 2.84Å; Y57-M62 VanDerWaalsContact O-CE 3.23Å; Y57-M62 WeakPolarHBondContact O-CE 3.49Å
58A98.3Very high96.9Very high23 Ų2377.9 Ų77.919%0.1940%0.395CS..EExtended strand (participates in β ladder)trans-125.7148.9165.100000108.4I43 M62I43-A58 CarbonylContact O-C 3.55Å; I43-A58 VanDerWaalsContact O-CA 3.3Å; I43-A58 WeakPolarHBondContact O-CA 3.38Å; A58-M62 HydrophobicContact CB-CB 4.35Å; A58-M62 HydrophobicContact CB-CE 4.12Å
59S97.8Very high96.7Very high37 Ų3779.3 Ų79.326%0.25940%0.397SS..SBendtrans-72-32.4169.755.50000112.3S36 C41 I43S36-S59 VanDerWaalsContact CB-CB 3.42Å; S36-S59 WeakPolarHBondContact OG-CB 3.38Å; C41-S59 PolarHBondContact O-OG 3.02Å; I43-S59 PolarHBondContact N-OG 3.34Å; I43-S59 PolarHBondContact O-N 3.19Å
60T96.5Very high96.7Very high87 Ų8783.1 Ų83.153%0.53442%0.421SS..SBendtrans-115.2-87.1175.752.50000110.8E42E42-T60 PolarHBondContact OE1-OG1 3.06Å
61D96.9Very high96.6Very high63 Ų6384.6 Ų84.634%0.33743%0.428SS..  trans-141133.3-175.2-175.1-62.1000109D63 K64 V65D61-D63 PolarHBondContact OD1-N 2.84Å; D61-K64 HydrophobicContact CB-CB 4.08Å; D61-K64 HydrophobicContact CB-CD 3.79Å; D61-K64 HydrophobicContact CB-CG 3.83Å; D61-K64 PolarHBondContact OD1-N 3.4Å; D61-V65 WeakPolarHBondContact O-CG2 3.3Å; D61-V65 PolarHBondContact O-N 2.99Å
62M97.9Very high96.3Very high17 Ų1789.1 Ų89.18%0.08444%0.437CS..Hα-helixtrans-66.1-43.6-175-177.862.559.700111.7A44 I46 Q56 Y57 A58 K64 V65 L66A44-M62 HydrophobicContact CB-CE 4.3Å; A44-M62 HydrophobicContact CB-SD 3.92Å; I46-M62 HydrophobicContact CD1-SD 4.42Å; I46-M62 HydrophobicContact CG1-SD 4.32Å; Q56-M62 HydrophobicContact CB-CE 3.72Å; Q56-M62 HydrophobicContact CG-CE 3.94Å; Y57-M62 VanDerWaalsContact O-CE 3.23Å; Y57-M62 WeakPolarHBondContact O-CE 3.49Å; A58-M62 HydrophobicContact CB-CB 4.35Å; A58-M62 HydrophobicContact CB-CE 4.12Å; M62-K64 VanDerWaalsContact C-N 3.33Å; M62-K64 PolarHBondContact O-N 2.71Å; M62-V65 PolarHBondContact O-N 3.02Å; M62-L66 HydrophobicContact CG-CD1 3.81Å; M62-L66 HydrophobicContact CG-CG 4.32Å; M62-L66 WeakPolarHBondContact O-CB 3.29Å; M62-L66 VanDerWaalsContact O-CG 3.29Å; M62-L66 WeakPolarHBondContact O-CG 3.13Å; M62-L66 PolarHBondContact O-N 3.44Å; M62-L66 HydrophobicContact SD-CD1 4Å; M62-L66 HydrophobicContact SD-CG 4.09Å
63D97.1Very high95.2Very high121 Ų12190.8 Ų90.865%0.64745%0.446SS*.Hα-helixtrans-72.2-34-172.8-60.7-24.1000110D61 L67D61-D63 PolarHBondContact OD1-N 2.84Å; D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.42Å; D63-L67 PolarHBondContact O-N 3.48Å
64K97Very high94.7Very high134 Ų13492.3 Ų92.358%0.58346%0.455SS*.Hα-helixtrans-64.5-46172.8-61.9-175.2-168.2175.20112.8D61 M62 L66 L67 K68D61-K64 HydrophobicContact CB-CB 4.08Å; D61-K64 HydrophobicContact CB-CD 3.79Å; D61-K64 HydrophobicContact CB-CG 3.83Å; D61-K64 PolarHBondContact OD1-N 3.4Å; M62-K64 VanDerWaalsContact C-N 3.33Å; M62-K64 PolarHBondContact O-N 2.71Å; K64-L66 VanDerWaalsContact C-N 3.34Å; K64-L67 PolarHBondContact O-N 2.95Å; K64-K68 VanDerWaalsContact O-CB 3.31Å; K64-K68 WeakPolarHBondContact O-CB 3.46Å; K64-K68 PolarHBondContact O-N 3.45Å
65V96.8Very high94.4Very high20 Ų2091.4 Ų91.412%0.12145%0.454CS..Hα-helixtrans-69.5-35-179.9179.40000111.1E42 A44 D61 M62 Y69E42-V65 HydrophobicContact CB-CG2 4.18Å; A44-V65 HydrophobicContact CB-CB 4.1Å; A44-V65 HydrophobicContact CB-CG1 3.58Å; D61-V65 WeakPolarHBondContact O-CG2 3.3Å; D61-V65 PolarHBondContact O-N 2.99Å; M62-V65 PolarHBondContact O-N 3.02Å; V65-Y69 WeakPolarHBondContact O-CB 3.4Å; V65-Y69 PolarHBondContact O-N 3.31Å
66L96.4Very high94Very high69 Ų6998 Ų9836%0.36149%0.485SS..Hα-helixtrans-69.3-42.4173.9-71.4176.5000112.7I46 M62 K64 Y69 T70I46-L66 HydrophobicContact CD1-CD2 4.22Å; M62-L66 HydrophobicContact CG-CD1 3.81Å; M62-L66 HydrophobicContact CG-CG 4.32Å; M62-L66 WeakPolarHBondContact O-CB 3.29Å; M62-L66 VanDerWaalsContact O-CG 3.29Å; M62-L66 WeakPolarHBondContact O-CG 3.13Å; M62-L66 PolarHBondContact O-N 3.44Å; M62-L66 HydrophobicContact SD-CD1 4Å; M62-L66 HydrophobicContact SD-CG 4.09Å; K64-L66 VanDerWaalsContact C-N 3.34Å; L66-Y69 WeakPolarHBondContact O-CB 3.21Å; L66-Y69 PolarHBondContact O-N 3.23Å; L66-T70 PolarHBondContact O-N 3.26Å
67L95.7Very high93.7Very high100 Ų10099.1 Ų99.152%0.52449%0.491SS..Hα-helixtrans-59.7-50.2174.8179.661.9000110.5D63 K64 Y69 T70 E71D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.42Å; D63-L67 PolarHBondContact O-N 3.48Å; K64-L67 PolarHBondContact O-N 2.95Å; L67-Y69 VanDerWaalsContact C-N 3.3Å; L67-Y69 PolarHBondContact O-N 3.45Å; L67-T70 PolarHBondContact O-N 2.87Å; L67-T70 PolarHBondContact O-OG1 2.61Å; L67-E71 WeakPolarHBondContact O-CG 3.17Å; L67-E71 PolarHBondContact O-N 2.84Å; L67-E71 VanDerWaalsContact O-N 3.11Å
68K95Very high93.5Very high83 Ų83101.2 Ų101.236%0.36151%0.512SS..Hα-helixtrans-54.2-45.8173.3-171.8179.7-172.1-177.40111.4E42 K64 T70 E71 Y72E42-K68 IonicContact OE2-NZ 2.66Å; E42-K68 PolarHBondContact OE2-NZ 3.41Å; K64-K68 VanDerWaalsContact O-CB 3.31Å; K64-K68 WeakPolarHBondContact O-CB 3.46Å; K64-K68 PolarHBondContact O-N 3.45Å; K68-T70 VanDerWaalsContact C-N 3.29Å; K68-T70 PolarHBondContact O-N 2.86Å; K68-E71 WeakPolarHBondContact O-CB 3.46Å; K68-E71 PolarHBondContact O-N 2.82Å; K68-E71 VanDerWaalsContact O-N 3.08Å; K68-Y72 HydrophobicContact CD-CE2 4.5Å; K68-Y72 HydrophobicContact CG-CD2 4.15Å; K68-Y72 HydrophobicContact CG-CE2 3.77Å; K68-Y72 VanDerWaalsContact O-CD2 3.26Å; K68-Y72 WeakPolarHBondContact O-CD2 3.42Å; K68-Y72 PolarHBondContact O-N 2.78Å
69Y94.9Very high93.3Very high162 Ų162107.4 Ų107.464%0.63553%0.53SS*.Hα-helixtrans-58.7-36.9175.8176.1-94000112.9V65 L66 L67 E71V65-Y69 WeakPolarHBondContact O-CB 3.4Å; V65-Y69 PolarHBondContact O-N 3.31Å; L66-Y69 WeakPolarHBondContact O-CB 3.21Å; L66-Y69 PolarHBondContact O-N 3.23Å; L67-Y69 VanDerWaalsContact C-N 3.3Å; L67-Y69 PolarHBondContact O-N 3.45Å; Y69-E71 VanDerWaalsContact C-N 3.33Å
70T94.1Very high93.3Very high102 Ų102109.4 Ų109.463%0.62654%0.541SS*.Hα-helixtrans-74.9-18.1175.656.90000114.6L66 L67 K68L66-T70 PolarHBondContact O-N 3.26Å; L67-T70 PolarHBondContact O-N 2.87Å; L67-T70 PolarHBondContact O-OG1 2.61Å; K68-T70 VanDerWaalsContact C-N 3.29Å; K68-T70 PolarHBondContact O-N 2.86Å
71E93.1Very high93.3Very high126 Ų126111.5 Ų111.559%0.58955%0.549SS*.Hα-helixtrans-81-24.5174.9-68.2168.7-179.600112.3L67 K68 Y69L67-E71 WeakPolarHBondContact O-CG 3.17Å; L67-E71 PolarHBondContact O-N 2.84Å; L67-E71 VanDerWaalsContact O-N 3.11Å; K68-E71 WeakPolarHBondContact O-CB 3.46Å; K68-E71 PolarHBondContact O-N 2.82Å; K68-E71 VanDerWaalsContact O-N 3.08Å; Y69-E71 VanDerWaalsContact C-N 3.33Å
72Y89.1Confident93.2Very high159 Ų159111.4 Ų111.462%0.62456%0.557SS**  trans-89.3116.8173.7-74-80.2000111.4K68 E74K68-Y72 HydrophobicContact CD-CE2 4.5Å; K68-Y72 HydrophobicContact CG-CD2 4.15Å; K68-Y72 HydrophobicContact CG-CE2 3.77Å; K68-Y72 VanDerWaalsContact O-CD2 3.26Å; K68-Y72 WeakPolarHBondContact O-CD2 3.42Å; K68-Y72 PolarHBondContact O-N 2.78Å; Y72-E74 PolarHBondContact O-N 2.88Å
73N73.3Confident93Very high171 Ų171113.1 Ų113.191%0.91457%0.566SS**SBendtrans-72-26.3-177.7-71-79.5000114.3
74E86.2Confident92.9Very high168 Ų168111.3 Ų111.379%0.78556%0.556SS**SBendtrans-143.9130.1-178.7-166.2171.5-170.100111.2Y72Y72-E74 PolarHBondContact O-N 2.88Å
75P90.7Very high92.8Very high66 Ų66109.4 Ų109.443%0.42955%0.551SS.*  trans-75.8131.8176.330.5-34.2000111.2E77P75-E77 PolarHBondContact O-N 3Å
76H90.3Very high92.6Very high203 Ų203113.7 Ų113.794%0.9457%0.57SS**SBendtrans-57.4-35.5178.6-179.568.5000113.6
77E93.3Very high92.5Very high126 Ų126114.1 Ų114.159%0.58958%0.575SS**SBendtrans-134.7128.9168.5-175.7177.4-166.100108.8P75 R79P75-E77 PolarHBondContact O-N 3Å; E77-R79 HydrophobicContact CG-CG 4.19Å; E77-R79 IonicContact OE1-CZ 3.13Å; E77-R79 IonicContact OE1-NE 2.7Å; E77-R79 PolarHBondContact OE1-NE 3.37Å; E77-R79 IonicContact OE1-NH2 2.58Å; E77-R79 PolarHBondContact OE1-NH2 2.92Å
78S92.7Very high92.2Very high88 Ų88115.3 Ų115.362%0.61558%0.582SS**  trans-118.7138.816963.10000110.1
79R95.2Very high92Very high154 Ų154119.3 Ų119.358%0.58159%0.594SS**  trans-138.4133.5-179.6-65.1-64.7-175.4-168.4-5.8110.6E77E77-R79 HydrophobicContact CG-CG 4.19Å; E77-R79 IonicContact OE1-CZ 3.13Å; E77-R79 IonicContact OE1-NE 2.7Å; E77-R79 PolarHBondContact OE1-NE 3.37Å; E77-R79 IonicContact OE1-NH2 2.58Å; E77-R79 PolarHBondContact OE1-NH2 2.92Å
80T97Very high91.8Very high79 Ų79118.3 Ų118.349%0.48559%0.593SS.*  trans-111.4174.5174.976.70000110.8A82 D83 I84T80-A82 PolarHBondContact O-N 3.34Å; T80-A82 PolarHBondContact OG1-N 2.72Å; T80-D83 WeakPolarHBondContact CA-OD2 3.36Å; T80-D83 VanDerWaalsContact CB-OD2 3.28Å; T80-D83 WeakPolarHBondContact CB-OD2 3.28Å; T80-D83 PolarHBondContact N-OD2 3.29Å; T80-D83 PolarHBondContact O-N 3.46Å; T80-D83 PolarHBondContact OG1-OD2 3.27Å; T80-I84 WeakPolarHBondContact O-CG1 3.38Å; T80-I84 PolarHBondContact O-N 2.82Å
81N96.1Very high91Very high131 Ų131121.9 Ų121.970%0.70160%0.6SS**Hα-helixtrans-59.5-29.5173.1-69.7-24.9000112.7I85N81-I85 WeakPolarHBondContact O-CB 3.22Å; N81-I85 VanDerWaalsContact O-CD1 3.32Å; N81-I85 WeakPolarHBondContact O-CD1 3.43Å; N81-I85 WeakPolarHBondContact O-CG1 3.24Å; N81-I85 PolarHBondContact O-N 2.7Å
82A95.8Very high89.4Confident61 Ų61119 Ų11950%0.50460%0.604SS.*Hα-helixtrans-67.3-47.8178.800000111.1T80 I84 I85 E86T80-A82 PolarHBondContact O-N 3.34Å; T80-A82 PolarHBondContact OG1-N 2.72Å; A82-I84 VanDerWaalsContact C-N 3.31Å; A82-I84 PolarHBondContact O-N 3.21Å; A82-I85 PolarHBondContact O-N 3.33Å; A82-I85 VanDerWaalsContact O-N 3.15Å; A82-E86 PolarHBondContact O-N 3.35Å
83D94.4Very high87.4Confident52 Ų52120.3 Ų120.328%0.27861%0.613SS.*Hα-helixtrans-62.9-38.8-179.9-46.2-66.3000111.6T80 E86 T87T80-D83 WeakPolarHBondContact CA-OD2 3.36Å; T80-D83 VanDerWaalsContact CB-OD2 3.28Å; T80-D83 WeakPolarHBondContact CB-OD2 3.28Å; T80-D83 PolarHBondContact N-OD2 3.29Å; T80-D83 PolarHBondContact O-N 3.46Å; T80-D83 PolarHBondContact OG1-OD2 3.27Å; D83-E86 PolarHBondContact O-N 3.27Å; D83-T87 WeakPolarHBondContact O-CB 3.32Å; D83-T87 PolarHBondContact O-N 3.03Å; D83-T87 PolarHBondContact O-OG1 2.73Å
84I94.4Very high86.3Confident83 Ų83117 Ų11743%0.42660%0.596SS.*Hα-helixtrans-66.2-44.4175.5-63.6166000110.4T80 A82 T87 L88T80-I84 WeakPolarHBondContact O-CG1 3.38Å; T80-I84 PolarHBondContact O-N 2.82Å; A82-I84 VanDerWaalsContact C-N 3.31Å; A82-I84 PolarHBondContact O-N 3.21Å; I84-T87 PolarHBondContact O-N 2.61Å; I84-L88 HydrophobicContact CG2-CD1 4.03Å; I84-L88 WeakPolarHBondContact O-CB 3.16Å; I84-L88 VanDerWaalsContact O-CG 3.24Å; I84-L88 WeakPolarHBondContact O-CG 3.41Å; I84-L88 PolarHBondContact O-N 3.19Å
85I94.1Very high84.4Confident95 Ų95112.4 Ų112.449%0.48759%0.593SS.*Hα-helixtrans-64.7-39.9177.1-71.5164.4000111.1N81 A82 R89N81-I85 WeakPolarHBondContact O-CB 3.22Å; N81-I85 VanDerWaalsContact O-CD1 3.32Å; N81-I85 WeakPolarHBondContact O-CD1 3.43Å; N81-I85 WeakPolarHBondContact O-CG1 3.24Å; N81-I85 PolarHBondContact O-N 2.7Å; A82-I85 PolarHBondContact O-N 3.33Å; A82-I85 VanDerWaalsContact O-N 3.15Å; I85-R89 VanDerWaalsContact O-CG 3.3Å; I85-R89 WeakPolarHBondContact O-CG 3.32Å; I85-R89 PolarHBondContact O-N 3.14Å; I85-R89 PolarHBondContact O-NE 3.25Å
86E93.9Very high82.4Confident109 Ų109115.1 Ų115.151%0.50961%0.613SS.*Hα-helixtrans-63.8-48.6174.1-173.4174164.400112.1A82 D83 L88 R89 K90A82-E86 PolarHBondContact O-N 3.35Å; D83-E86 PolarHBondContact O-N 3.27Å; E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 2.98Å; E86-R89 PolarHBondContact O-N 2.97Å; E86-K90 WeakPolarHBondContact O-CB 3.34Å; E86-K90 PolarHBondContact O-N 3.3Å
87T92.8Very high80.1Confident78 Ų78113.3 Ų113.348%0.47961%0.61SS.*Hα-helixtrans-56.9-42.5177.5-57.50000111.4D83 I84 K91D83-T87 WeakPolarHBondContact O-CB 3.32Å; D83-T87 PolarHBondContact O-N 3.03Å; D83-T87 PolarHBondContact O-OG1 2.73Å; I84-T87 PolarHBondContact O-N 2.61Å; T87-K91 VanDerWaalsContact O-CB 3.22Å; T87-K91 WeakPolarHBondContact O-CB 3.3Å; T87-K91 PolarHBondContact O-N 3.03Å
88L90.8Very high77.8Confident126 Ų126111.7 Ų111.766%0.6661%0.613SS**Hα-helixtrans-67.2-32.4176.4-71.2171.9000113.2I84 E86 G92I84-L88 HydrophobicContact CG2-CD1 4.03Å; I84-L88 WeakPolarHBondContact O-CB 3.16Å; I84-L88 VanDerWaalsContact O-CG 3.24Å; I84-L88 WeakPolarHBondContact O-CG 3.41Å; I84-L88 PolarHBondContact O-N 3.19Å; E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 2.98Å; L88-G92 PolarHBondContact O-N 3.3Å
89R90.9Very high76.2Confident166 Ų166112.9 Ų112.963%0.62662%0.618SS**Hα-helixtrans-73.6-47.3174.1-72.7-179.9-61156.64.9111.7I85 E86 K91 G92I85-R89 VanDerWaalsContact O-CG 3.3Å; I85-R89 WeakPolarHBondContact O-CG 3.32Å; I85-R89 PolarHBondContact O-N 3.14Å; I85-R89 PolarHBondContact O-NE 3.25Å; E86-R89 PolarHBondContact O-N 2.97Å; R89-K91 PolarHBondContact O-N 3.47Å; R89-G92 VanDerWaalsContact O-CA 3.32Å; R89-G92 WeakPolarHBondContact O-CA 3.49Å; R89-G92 PolarHBondContact O-N 2.84Å
90K89.3Confident73.8Confident141 Ų141114.2 Ų114.261%0.61363%0.631SS**Hα-helixtrans-61.1-44178.7-171172.3-177.8175.50111.4E86 G92 F93 N94E86-K90 WeakPolarHBondContact O-CB 3.34Å; E86-K90 PolarHBondContact O-N 3.3Å; K90-G92 PolarHBondContact O-N 3.15Å; K90-F93 PolarHBondContact O-N 2.74Å; K90-F93 VanDerWaalsContact O-N 3.17Å; K90-N94 PolarHBondContact O-N 3.41Å; K90-N94 VanDerWaalsContact O-N 3.11Å; K90-N94 PolarHBondContact O-OD1 2.89Å
91K78.4Confident71.8Confident177 Ų177115.4 Ų115.477%0.7764%0.64SS**THydrogen-bonded Turntrans-71.2-7.2173.2-158.9154.2-171.1161.50113.8T87 R89T87-K91 VanDerWaalsContact O-CB 3.22Å; T87-K91 WeakPolarHBondContact O-CB 3.3Å; T87-K91 PolarHBondContact O-N 3.03Å; R89-K91 PolarHBondContact O-N 3.47Å
92G58.3Low69.3Low65 Ų65117.1 Ų117.167%0.6765%0.649SS**THydrogen-bonded Turntrans-88.5-6.1171.100000114.8L88 R89 K90L88-G92 PolarHBondContact O-N 3.3Å; R89-G92 VanDerWaalsContact O-CA 3.32Å; R89-G92 WeakPolarHBondContact O-CA 3.49Å; R89-G92 PolarHBondContact O-N 2.84Å; K90-G92 PolarHBondContact O-N 3.15Å
93F47.8Very low66.7Low187 Ų187118 Ų11882%0.8266%0.664SS**THydrogen-bonded Turntrans-122-27.4176.2-164.5-104000112.9K90 G95K90-F93 PolarHBondContact O-N 2.74Å; K90-F93 VanDerWaalsContact O-N 3.17Å; F93-G95 PolarHBondContact O-N 3.39Å
94N49.4Very low64.2Low101 Ų101124.6 Ų124.654%0.5469%0.693SS.*  trans-102.680.7-176.9-61.543.1000110.6K90 C96K90-N94 PolarHBondContact O-N 3.41Å; K90-N94 VanDerWaalsContact O-N 3.11Å; K90-N94 PolarHBondContact O-OD1 2.89Å; N94-C96 PolarHBondContact O-N 3.21Å
95G47.3Very low61.4Low72 Ų72128.2 Ų128.274%0.74271%0.713SS**  trans-73.3121.1167.100000110.3F93F93-G95 PolarHBondContact O-N 3.39Å
96C48.6Very low59.1Low124 Ų124128.1 Ų128.184%0.83872%0.721SS**  trans55.4100172.2-163.70000115.9N94N94-C96 PolarHBondContact O-N 3.21Å
97D41.6Very low56.7Low165 Ų165130.6 Ų130.688%0.88274%0.737SS**  trans-130.6135.5138.5-164.431.6000108.2
98S44.5Very low54.2Low91 Ų91135.3 Ų135.364%0.63675%0.753SS**  trans-103.5140.3-170.7-170.80000109.3
99P59.3Low52Low113 Ų113138.9 Ų138.973%0.73477%0.767SS**  trans-72.9133.9173.231.4-33.3000110.3
100E46.2Very low49.5Very low182 Ų182135.4 Ų135.485%0.8577%0.768SS**  trans166.4157140.6-95.5-161.6130.300110
101P54.1Low47.6Very low104 Ų104133.9 Ų133.968%0.67577%0.772SS**  cis-130.9-158-37.636.9-18.8000110.8
102D43.9Very low46.2Very low168 Ų168131 Ų13190%0.89877%0.765SS**  trans-48.2144.8-173.1-57.2-84.5000117.2
103G40.8Very low45.9Very low78 Ų78133.6 Ų133.680%0.80476%0.763SS**  trans-165.570.3178.200000110.6D105G103-D105 PolarHBondContact O-N 3.41Å
104E41.6Very low45.9Very low191 Ų191131.6 Ų131.689%0.89376%0.756SS**  trans-63.3121167.561.1-164.8152.100110.2
105D36.9Very low46.2Very low160 Ų160131.9 Ų131.986%0.85676%0.757SS**  -165.9167.3124.3-135.9-30.6000113G103G103-D105 PolarHBondContact O-N 3.41Å
106S44.2Very low46.5Very low92 Ų92135.7 Ų135.764%0.64375%0.754SS**  trans-86.2154.4-168.6-87.20000116
107L45.3Very low46.7Very low161 Ų161138 Ų13884%0.84375%0.746SS**  trans61103.8146-62.1164.6000119.2
108E40Very low47.5Very low177 Ų177138.1 Ų138.183%0.82773%0.734SS**  158.8118.3111.2-82.5-151.1132.800111.4S110E108-S110 PolarHBondContact O-N 3.47Å
109Q43.1Very low48.1Very low201 Ų201143.1 Ų143.194%0.93974%0.739SS**  trans-71.195170.4-77.6168.6-58.300109.6
110S38.3Very low48.1Very low93 Ų93140.4 Ų140.465%0.6573%0.726SS**  trans-60125.2-179.1-72.80000112.4E108 L112E108-S110 PolarHBondContact O-N 3.47Å; S110-L112 PolarHBondContact O-N 3.49Å
111P51Low48.9Very low109 Ų109135 Ų13571%0.70871%0.709SS**THydrogen-bonded Turntrans-63.2-0.5-176-26.235.4000117.6L113 E114P111-L113 VanDerWaalsContact C-N 3.31Å; P111-L113 PolarHBondContact O-N 3.42Å; P111-E114 PolarHBondContact O-N 2.93Å
112L49Very low49.4Very low118 Ų118136.4 Ų136.462%0.61871%0.706SS**Hα-helixtrans-70-22.9-169.8-146.2175.5000113.5S110S110-L112 PolarHBondContact O-N 3.49Å
113L51.6Low50.2Low119 Ų119135.3 Ų135.362%0.62370%0.696SS**Hα-helixtrans-71.3-36.1-180-166.664.1000111.8P111 D115 K116 Y117P111-L113 VanDerWaalsContact C-N 3.31Å; P111-L113 PolarHBondContact O-N 3.42Å; L113-D115 PolarHBondContact O-N 3.3Å; L113-K116 PolarHBondContact O-N 2.95Å; L113-Y117 HydrophobicContact CD1-CE2 4.08Å; L113-Y117 HydrophobicContact CG-CD2 4.27Å; L113-Y117 HydrophobicContact CG-CE2 4.08Å; L113-Y117 WeakPolarHBondContact O-CD2 3.35Å; L113-Y117 PolarHBondContact O-N 3.22Å
114E48.3Very low51.3Low144 Ų144137.6 Ų137.667%0.67369%0.689SS**Hα-helixtrans-60.4-45.4179.8-154.776.8-157.400111P111 K116 Y117 R118P111-E114 PolarHBondContact O-N 2.93Å; E114-K116 VanDerWaalsContact C-N 3.31Å; E114-K116 PolarHBondContact O-N 3.11Å; E114-Y117 PolarHBondContact O-N 3.39Å; E114-Y117 VanDerWaalsContact O-N 3.16Å; E114-R118 WeakPolarHBondContact O-CB 3.46Å; E114-R118 PolarHBondContact O-N 3.05Å
115D54.7Low52.3Low107 Ų107133.1 Ų133.157%0.57267%0.671SS**Hα-helixtrans-61.7-35-179.4-77.5-37.7000113L113 R119L113-D115 PolarHBondContact O-N 3.3Å; D115-R119 WeakPolarHBondContact O-CB 3.5Å; D115-R119 PolarHBondContact O-N 3.48Å
116K52.5Low53.8Low152 Ų152126.7 Ų126.766%0.66164%0.643SS**Hα-helixtrans-67.9-39.5176-85-171.9173.7-1790112.3L113 E114 A120L113-K116 PolarHBondContact O-N 2.95Å; E114-K116 VanDerWaalsContact C-N 3.31Å; E114-K116 PolarHBondContact O-N 3.11Å; K116-A120 WeakPolarHBondContact O-CB 3.42Å; K116-A120 PolarHBondContact O-N 3.17Å
117Y53.7Low54.8Low173 Ų173126.9 Ų126.968%0.67864%0.636SS**Hα-helixtrans-72.9-39.3176.1-79.9-78.1000112L113 E114 A120 S121L113-Y117 HydrophobicContact CD1-CE2 4.08Å; L113-Y117 HydrophobicContact CG-CD2 4.27Å; L113-Y117 HydrophobicContact CG-CE2 4.08Å; L113-Y117 WeakPolarHBondContact O-CD2 3.35Å; L113-Y117 PolarHBondContact O-N 3.22Å; E114-Y117 PolarHBondContact O-N 3.39Å; E114-Y117 VanDerWaalsContact O-N 3.16Å; Y117-A120 PolarHBondContact O-N 2.83Å; Y117-S121 PolarHBondContact O-N 3.01Å
118R57.9Low55.6Low168 Ų168127.2 Ų127.263%0.63463%0.631SS**Hα-helixtrans-64.9-47.2178.2-151.3178.1-173.4131.16.4111.6E114 A120 S121 E122E114-R118 WeakPolarHBondContact O-CB 3.46Å; E114-R118 PolarHBondContact O-N 3.05Å; R118-A120 VanDerWaalsContact C-N 3.34Å; R118-A120 PolarHBondContact O-N 2.9Å; R118-S121 WeakPolarHBondContact O-CB 3.17Å; R118-S121 PolarHBondContact O-N 3.42Å; R118-S121 VanDerWaalsContact O-N 3.08Å; R118-S121 PolarHBondContact O-OG 3.44Å; R118-E122 PolarHBondContact O-N 3.21Å; R118-E122 VanDerWaalsContact O-N 3.13Å
119R57.6Low56.5Low195 Ų195128.8 Ų128.874%0.73663%0.629SS**Hα-helixtrans-63.6-36.4178.2-161178.7-135.6-155.84.5112.9D115 S121 E122 E123D115-R119 WeakPolarHBondContact O-CB 3.5Å; D115-R119 PolarHBondContact O-N 3.48Å; R119-S121 VanDerWaalsContact C-N 3.34Å; R119-E122 PolarHBondContact O-N 3.32Å; R119-E123 PolarHBondContact O-N 2.97Å; R119-E123 VanDerWaalsContact O-N 3.15Å
120A59.2Low57.3Low56 Ų56129 Ų12946%0.46362%0.621SS.*Hα-helixtrans-66.2-34.9173.300000112.6K116 Y117 R118 L124K116-A120 WeakPolarHBondContact O-CB 3.42Å; K116-A120 PolarHBondContact O-N 3.17Å; Y117-A120 PolarHBondContact O-N 2.83Å; R118-A120 VanDerWaalsContact C-N 3.34Å; R118-A120 PolarHBondContact O-N 2.9Å; A120-L124 PolarHBondContact O-N 3.32Å
121S63Low58Low70 Ų70134 Ų13449%0.4963%0.627SS.*Hα-helixtrans-68.8-36.3176.274.60000113Y117 R118 R119 L124 D125Y117-S121 PolarHBondContact O-N 3.01Å; R118-S121 WeakPolarHBondContact O-CB 3.17Å; R118-S121 PolarHBondContact O-N 3.42Å; R118-S121 VanDerWaalsContact O-N 3.08Å; R118-S121 PolarHBondContact O-OG 3.44Å; R119-S121 VanDerWaalsContact C-N 3.34Å; S121-L124 PolarHBondContact O-N 3.47Å; S121-D125 PolarHBondContact O-N 3.43Å
122E64.9Low58Low133 Ų133131.9 Ų131.962%0.62163%0.625SS**Hα-helixtrans-73.8-34.4177.9-67.8-179.2115.900112.8R118 R119 L124 G126R118-E122 PolarHBondContact O-N 3.21Å; R118-E122 VanDerWaalsContact O-N 3.13Å; R119-E122 PolarHBondContact O-N 3.32Å; E122-L124 VanDerWaalsContact C-N 3.35Å; E122-G126 PolarHBondContact O-N 3.45Å
123E60.8Low58.2Low145 Ų145131.5 Ų131.568%0.67863%0.632SS**Hα-helixtrans-63.8-39.7170.5-99.2-159.7135.500112.1R119 G126 L127R119-E123 PolarHBondContact O-N 2.97Å; R119-E123 VanDerWaalsContact O-N 3.15Å; E123-G126 PolarHBondContact O-N 3.16Å; E123-L127 PolarHBondContact O-N 3.32Å
124L64.4Low58.1Low125 Ų125130.1 Ų130.165%0.65464%0.638SS**Hα-helixtrans-66.6-44.2-178.3-157.482.4000112.1A120 S121 E122 L127 F128A120-L124 PolarHBondContact O-N 3.32Å; S121-L124 PolarHBondContact O-N 3.47Å; E122-L124 VanDerWaalsContact C-N 3.35Å; L124-L127 PolarHBondContact O-N 2.87Å; L124-F128 PolarHBondContact O-N 3.06Å; L124-F128 VanDerWaalsContact O-N 3.07Å
125D62.7Low57.9Low98 Ų98129.8 Ų129.852%0.52465%0.645SS.*Hα-helixtrans-67-39.6174.8-170.471.8000111.6S121 L127 F128 R129S121-D125 PolarHBondContact O-N 3.43Å; D125-L127 VanDerWaalsContact C-N 3.26Å; D125-L127 PolarHBondContact O-N 2.94Å; D125-F128 PolarHBondContact O-N 3.45Å; D125-F128 VanDerWaalsContact O-N 3.14Å; D125-R129 PolarHBondContact O-N 3.08Å
126G67.3Low57.4Low25 Ų25130.7 Ų130.726%0.25866%0.657SS.*Hα-helixtrans-63-27.9175.500000114.3E122 E123E122-G126 PolarHBondContact O-N 3.45Å; E123-G126 PolarHBondContact O-N 3.16Å
127L66.3Low56.8Low96 Ų96128 Ų12850%0.50366%0.663SS.*Hα-helixtrans-75.8-44.4169.8-91.5155.4000111.6E123 L124 D125 R129 R130 Y131E123-L127 PolarHBondContact O-N 3.32Å; L124-L127 PolarHBondContact O-N 2.87Å; D125-L127 VanDerWaalsContact C-N 3.26Å; D125-L127 PolarHBondContact O-N 2.94Å; L127-R129 VanDerWaalsContact C-N 3.34Å; L127-R129 PolarHBondContact O-N 3.22Å; L127-R130 PolarHBondContact O-N 3.43Å; L127-R130 VanDerWaalsContact O-N 3.09Å; L127-Y131 HydrophobicContact CD2-CD2 4.24Å; L127-Y131 HydrophobicContact CD2-CE2 4.2Å; L127-Y131 PolarHBondContact O-N 3.24Å; L127-Y131 VanDerWaalsContact O-N 3.12Å
128F61.4Low56.3Low168 Ų168125.8 Ų125.874%0.73767%0.67SS**Hα-helixtrans-61.4-41.1179.3-133.9-93.2000112L124 D125 R130 G132L124-F128 PolarHBondContact O-N 3.06Å; L124-F128 VanDerWaalsContact O-N 3.07Å; D125-F128 PolarHBondContact O-N 3.45Å; D125-F128 VanDerWaalsContact O-N 3.14Å; F128-R130 VanDerWaalsContact C-N 3.35Å; F128-R130 PolarHBondContact O-N 3.39Å; F128-G132 WeakPolarHBondContact O-CA 3.44Å; F128-G132 PolarHBondContact O-N 3.13Å
129R59.7Low55.4Low209 Ų209124.9 Ų124.979%0.78968%0.678SS**Hα-helixtrans-67.2-27.8173-88.5-177.9179.5-95.4-2.4114.6D125 L127D125-R129 PolarHBondContact O-N 3.08Å; L127-R129 VanDerWaalsContact C-N 3.34Å; L127-R129 PolarHBondContact O-N 3.22Å
130R58.7Low54.3Low207 Ų207126 Ų12678%0.78169%0.688SS**Hα-helixtrans-86.8-23.2-177-122177.9-69.5-140.92.2114.2L127 F128L127-R130 PolarHBondContact O-N 3.43Å; L127-R130 VanDerWaalsContact O-N 3.09Å; F128-R130 VanDerWaalsContact C-N 3.35Å; F128-R130 PolarHBondContact O-N 3.39Å
131Y52.8Low53.1Low198 Ų198127.6 Ų127.678%0.77670%0.701SS**Hα-helixtrans-109.7-14.4178-78.3-86.7000114.3L127 S133L127-Y131 HydrophobicContact CD2-CD2 4.24Å; L127-Y131 HydrophobicContact CD2-CE2 4.2Å; L127-Y131 PolarHBondContact O-N 3.24Å; L127-Y131 VanDerWaalsContact O-N 3.12Å; Y131-S133 VanDerWaalsContact C-N 3.32Å; Y131-S133 PolarHBondContact O-N 3.15Å
132G51.6Low51.8Low63 Ų63132.7 Ų132.765%0.64972%0.72SS**  trans-83.933.1-176.100000116.9F128F128-G132 WeakPolarHBondContact O-CA 3.44Å; F128-G132 PolarHBondContact O-N 3.13Å
133S52.9Low50.8Low110 Ų110132.1 Ų132.177%0.76973%0.727SS**  trans-132.962.5-175.9-177.50000114.4Y131Y131-S133 VanDerWaalsContact C-N 3.32Å; Y131-S133 PolarHBondContact O-N 3.15Å
134A49.8Very low49.5Very low90 Ų90131.8 Ų131.874%0.74474%0.735SS**SBendtrans-168.2157.3149.300000112
135V43.5Very low48.5Very low137 Ų137132 Ų13283%0.8374%0.741SS**  trans78.3122.6168.8-164.50000116.5
136P44.7Very low47.2Very low126 Ų126133.1 Ų133.182%0.81875%0.752SS**  trans-86152.8174.335.5-34.3000112.5
137A39.7Very low45.8Very low96 Ų96138 Ų13879%0.79378%0.779SS**  trans-126.9146.1175.400000111.9
138P43.1Very low44.3Very low127 Ų127140.2 Ų140.283%0.82580%0.796SS**  trans-85.4160.6-171.934.1-36.4000114.6
139N39.9Very low43Very low148 Ų148137.9 Ų137.979%0.79180%0.801SS**  trans-55.4134.5169.8-100.5-66.6000113
140F33.8Very low41.5Very low219 Ų219135 Ų13596%0.96180%0.801SS**  trans-165127.7131.5-93.5-65.8000109.5
141A33.7Very low40.2Very low89 Ų89133.3 Ų133.374%0.73680%0.802SS**  trans-131.3132.7177.200000110.7
142M35.3Very low39Very low178 Ų178129.5 Ų129.588%0.87780%0.804SS**  trans-115.1115.9175.6-72.7-75.9-74.800108.6
143P45.4Very low38Very low120 Ų120131.2 Ų131.278%0.77981%0.806SS**  trans-80129.8-178.630-32.7000112
144V33.2Very low37Very low139 Ų139134.4 Ų134.484%0.84281%0.814SS**  trans-107.6117.8167.6174.50000108.1
145T43.7Very low35.9Very low128 Ų128138.8 Ų138.879%0.78582%0.819SS**  trans-106.6125.6179.1-54.80000110.8
146V34.3Very low35.2Very low123 Ų123142.2 Ų142.275%0.74582%0.823SS**PPolyproline II helixtrans-83.5136172.4-88.10000111.5
147P39.3Very low34.4Very low127 Ų127141.8 Ų141.883%0.82582%0.823SS**PPolyproline II helixtrans-86.6121170.532.2-30.6000111.4
148V34.9Very low33.9Very low143 Ų143144.8 Ų144.887%0.86783%0.826SS**PPolyproline II helixtrans-94133.9161.2165.30000108.5
149S32.3Very low34.5Very low119 Ų119143.7 Ų143.783%0.83282%0.819SS**  trans-129.6108.5175.9-169.30000110.1
150N30.2Very low34.2Very low147 Ų147142.5 Ų142.579%0.78682%0.822SS**  trans-168.5142.6143.5-138.4-22.8000111.2
151Q29.5Very low34.1Very low173 Ų173135.4 Ų135.481%0.80881%0.81SS**  trans-166.7121.5162.2-99.2-104.744.700108.9
152S29.5Very low34Very low117 Ų117136.2 Ų136.282%0.81881%0.811SS**  trans-171.393.3161.4-81.80000111
153S29.1Very low33.9Very low100 Ų100134.9 Ų134.970%0.69981%0.806SS**  trans-174.2116141.856.40000113.8
154L31.7Very low33.4Very low177 Ų177135.5 Ų135.593%0.92781%0.808SS**  trans61.6132137.7-55.9174.9000121.2
155Q27.1Very low33.1Very low182 Ų182134.9 Ų134.985%0.8580%0.804SS**  trans-92.4150.4170.2-62.2170.6-31.700110.9
156F28.6Very low33.3Very low209 Ų209133.9 Ų133.992%0.91780%0.8SS**  trans-166.5155.8133.4-104-68.9000111.2
157S29.1Very low33.1Very low117 Ų117132.7 Ų132.782%0.81880%0.797SS**  trans89.2122.1165.9-55.80000120.2
158N29Very low33.1Very low159 Ų159134.2 Ų134.285%0.8580%0.797SS**  trans-93.7-175.6170.6-94.4-11.6000110.3
159P55.3Low32.9Very low104 Ų104132.7 Ų132.768%0.67579%0.788SS**  cis-134.8-168.6-39.937.5-20000112.4
160S32.4Very low32.8Very low123 Ų123133 Ų13386%0.8679%0.785SS**  trans78.4140.7169.5-22.40000115.3
161G32.3Very low33Very low70 Ų70130.7 Ų130.772%0.72278%0.781SS**  cis163.2154.9-6.200000111.1
162S32.2Very low33Very low106 Ų106126.9 Ų126.974%0.74177%0.773SS**  trans81.7117.3168-149.60000119.2
163L33Very low33.3Very low150 Ų150128.9 Ų128.979%0.78577%0.774SS**  45.2138.8128.2-48.9176.2000119.3
164V34.1Very low33.7Very low133 Ų133130.1 Ų130.181%0.80678%0.777SS**  cis-156.4147.125.8-1320000112.7
165T28.2Very low33.6Very low126 Ų126128.9 Ų128.977%0.77377%0.772SS**  trans-75.4-179.7158.443.20000111.2
166P46.8Very low34.5Very low107 Ų107124.8 Ų124.870%0.69576%0.761SS**  cis-152.5173.721.845.5-24.8000120.9
167S30.9Very low34.6Very low98 Ų98124.6 Ų124.669%0.68575%0.754SS**  trans67.7155.9140.8-73.80000120.2
168L38.3Very low34.7Very low158 Ų158124.9 Ų124.983%0.82775%0.746SS**  cis-131.2134.112.5-70.1165.6000109.4
169V31.8Very low34.8Very low111 Ų111124.2 Ų124.267%0.67374%0.742SS**  84.7115.362.7171.60000115.1
170T29.1Very low33.7Very low126 Ų126124.5 Ų124.577%0.77375%0.746SS**  trans170.297.3135.6-73.10000107.9
171S33.9Very low34.9Very low99 Ų99124.5 Ų124.569%0.69274%0.743SS**  89.4143.180.8-66.60000113.7
172S30.6Very low34.8Very low93 Ų93130.5 Ų130.565%0.6575%0.752SS**  cis-178.7176.2-13.651.30000110.7
173L35.3Very low34.7Very low159 Ų159134 Ų13483%0.83276%0.757SS**  trans79.8135.8159.9-59.4163.8000117.2
174T37.9Very low35.6Very low126 Ų126132.3 Ų132.377%0.77376%0.755SS**  cis-139.2139.29.249.30000114.5
175D30.5Very low35.4Very low150 Ų150130 Ų13080%0.80275%0.75SS**  trans-80.6-170.3161.9-153.131.3000109.1
176P45.2Very low35.6Very low97 Ų97131 Ų13163%0.6375%0.75SS**  cis-149.5-177.11144-21.4000120.6
177R30.4Very low34.9Very low205 Ų205133.7 Ų133.777%0.77475%0.753SS**  trans90.3134.5159.9-47.7-124.197.9-178.84.1116.3
178L30.4Very low34.7Very low123 Ų123139.8 Ų139.864%0.64476%0.761SS**  cis130.4124.21.6-91.7-179.6000109.5
179L31.9Very low34.4Very low145 Ų145139.2 Ų139.276%0.75976%0.759SS**  trans83.8115.3146.5-62.2164.4000122.3
180S32.8Very low34.3Very low110 Ų110138 Ų13877%0.76976%0.756SS**  94.8156.6122.9-70.70000121.8
181P57.8Low34.6Very low122 Ų122138 Ų13879%0.79276%0.755SS**  trans-112.1176.5-159.642.8-33.8000114.5
182Q29.2Very low34.8Very low196 Ų196138.8 Ų138.892%0.91676%0.76SS**  trans163.3158.1137.6-165.915933.800111.7
183Q31.1Very low35.5Very low179 Ų179140.4 Ų140.484%0.83677%0.768SS**  trans-92.9-166.7179.7-45.3-170.8-20.300111.9
184P50.8Low35.3Very low115 Ų115136.4 Ų136.475%0.74777%0.766SS**  cis-134-169.1-15.336.7-16.3000113.8
185A30.2Very low35.4Very low85 Ų85138.3 Ų138.370%0.70277%0.771SS**  140123.3129.300000118.6
186L31.9Very low36.3Very low148 Ų148136.9 Ų136.978%0.77577%0.769SS**  trans74.5122.4136.5-66.7170.8000124.2
187Q32Very low35.7Very low162 Ų162141 Ų14176%0.75778%0.78SS**  trans70.3144.1138.2-53.4-94.8-11.200116.8
188R28.7Very low35.9Very low226 Ų226140.4 Ų140.485%0.85378%0.778SS**  cis-154.415815.4-165.5171.8167.3-172-4.2111.8
189N30.2Very low36.6Very low146 Ų146140.3 Ų140.378%0.78179%0.785SS**  trans-57.9152.4173.3-173.417.1000115
190S31.1Very low36.7Very low87 Ų87136.2 Ų136.261%0.60877%0.772SS**  142118.9122-159.70000117.3
191V34.6Very low36.8Very low126 Ų126136.4 Ų136.476%0.76477%0.773SS**  trans37.1142.5144.8-47.70000123.6
192S38.1Very low35.8Very low114 Ų114135.4 Ų135.480%0.79778%0.775SS**  trans-60.9157.8165.9-45.10000113.6
193P46.4Very low36.1Very low127 Ų127129.3 Ų129.383%0.82577%0.765SS**  -151.6167.2108.139.1-23.9000116.2
194G30.5Very low36.4Very low76 Ų76124.8 Ų124.878%0.78476%0.758SS**  trans104.4135.8133.600000120.1
195L39.4Very low35.6Very low166 Ų166127 Ų12787%0.86976%0.761SS**  trans-71.7165.6168.3-77.4148.2000112.8
196P49.2Very low36.1Very low119 Ų119131.5 Ų131.577%0.77377%0.772SS**  -127.2141.8101.136.1-30.1000111.1
197Q32.9Very low36.1Very low184 Ų184128.3 Ų128.386%0.8677%0.774SS**  84.7134.956.6-155.7170.729.600114.5
198R34.4Very low36.2Very low192 Ų192124.1 Ų124.173%0.72578%0.775SS**  trans-81.5174.9-160.7-158.1-155.3167.2167.9-2.6113.5
199P44.6Very low36.6Very low121 Ų121120.2 Ų120.279%0.78677%0.771SS**  -119.5148.8120.1-6.726.3000116.1
200A34.3Very low36.9Very low60 Ų60121 Ų12150%0.49677%0.774SS.*  trans-78.7178.916700000110
201S35.9Very low37Very low113 Ų113123.4 Ų123.479%0.7978%0.78SS**  cis-162-17931.7-52.50000107.6
202A37.1Very low36.9Very low102 Ų102122.2 Ų122.284%0.84378%0.777SS**  cis-145.4168.5-0.700000105.7
203G34.6Very low36.8Very low67 Ų67121.5 Ų121.569%0.69178%0.778SS**  cis135.790.318.800000107.9
204A36.7Very low36.3Very low84 Ų84123.7 Ų123.769%0.69478%0.783SS**  82.2164.8120.100000114.1
205M35.4Very low36.3Very low163 Ų163123.4 Ų123.480%0.80378%0.78SS**  cis-150.1165.218.6-48.7-96.2-176.400110.8
206L40.4Very low36.1Very low178 Ų178120.4 Ų120.493%0.93278%0.779SS**  trans66.5144.1163.4-45.3177.7000116.3
207G31.9Very low35.5Very low81 Ų81121 Ų12184%0.83579%0.785SS**  cis129.4113.65.900000109.5
208G34.4Very low36.2Very low74 Ų74117.9 Ų117.976%0.76378%0.781SS**  trans151.3100.3-179.100000114.6
209D36Very low36.3Very low145 Ų145114.6 Ų114.678%0.77579%0.787SS**  trans-53.8144.8159.935.5-72.3000113.9
210L37.8Very low36.5Very low161 Ų161114.3 Ų114.384%0.84379%0.785SS**  trans166.5129.6130.3-88.1170.5000113.7
211N32.8Very low36.4Very low139 Ų139118.3 Ų118.374%0.74380%0.803SS**  trans33.6125.6137.9-162.831.7000123.1
212S32.7Very low36.4Very low100 Ų100116 Ų11670%0.69980%0.798SS**  trans76.1139.1143.5-79.20000123.4
213A36Very low36.3Very low99 Ų99119.2 Ų119.282%0.81880%0.8SS**  trans79.3127.1143.900000122.3
214N34.9Very low36.2Very low174 Ų174118.8 Ų118.893%0.9380%0.796SS**  trans-26.7138.8159-63.3-37.6000118
215G31.5Very low36.2Very low70 Ų70125.7 Ų125.772%0.72281%0.806SS**  trans160.699.2161.100000110.8
216A34.9Very low36.5Very low102 Ų102124.3 Ų124.384%0.84381%0.806SS**  73.7116.981.500000113.5
217C37Very low36.2Very low131 Ų131121.4 Ų121.489%0.88580%0.801SS**  trans-78.6145.2-169.7-380000113
218P47Very low36.4Very low120 Ų120122 Ų12278%0.77980%0.797SS**  trans-98.3135.2174.635.6-31.1000113.3
219S35.6Very low36.5Very low123 Ų123130.2 Ų130.286%0.8681%0.806SS**  trans-169.8157.6158.3-90.60000111.2
220P49Very low36.3Very low114 Ų114128 Ų12874%0.7481%0.807SS**  -113.8160.3-123.239.3-36000117.9
221V33.4Very low36Very low144 Ų144125.7 Ų125.787%0.87381%0.805SS**  trans21.2131.9139.5-165.50000118.6
222G34.5Very low36.8Very low66 Ų66125.6 Ų125.668%0.6881%0.812SS**  cis166.6-1581.700000115
223N36.6Very low36.8Very low168 Ų168124.5 Ų124.590%0.89882%0.816SS**  trans67129.1-178.8-68.18.1000117.5
224G32.1Very low36.8Very low58 Ų58127.6 Ų127.660%0.59882%0.818SS**  cis175163.5-8.100000113.8
225Y36.7Very low37Very low229 Ų229126.8 Ų126.890%0.89881%0.813SS**  trans66.9137.9172-57.5-79.5000116.6
226V41.9Very low37.6Very low135 Ų135128.5 Ų128.582%0.81881%0.812SS**  cis-147.3167.62.5-111.80000111.3
227S33Very low37.5Very low117 Ų117130.3 Ų130.382%0.81881%0.811SS**  trans-58.4170.6175.5-44.80000114.6
228A37.6Very low37.3Very low92 Ų92127.9 Ų127.976%0.7680%0.801SS**  cis-151.9141.319.200000109.6
229R34.8Very low36.5Very low248 Ų248130.3 Ų130.394%0.93681%0.807SS**  79.2129.874.9-157.1-175.4-178.9-177.10.7115.3
230A32.6Very low36.3Very low98 Ų98127.7 Ų127.781%0.8180%0.8SS**  trans94.7126.9160.600000119.2
231S31.9Very low35.6Very low113 Ų113129.8 Ų129.879%0.7981%0.805SS**  trans-82.5164.2179.5-48.40000112.7
232P48.9Very low35.7Very low137 Ų137127.9 Ų127.989%0.8980%0.798SS**  trans-77146.6178.931.7-35.4000113.3
233G32Very low36.1Very low77 Ų77132.5 Ų132.579%0.79481%0.806SS**  trans-134.2152.617800000112.5
234L37Very low35.9Very low164 Ų164131.7 Ų131.786%0.85980%0.802SS**  trans-92.1174.6-162.7-67.7154.8000115.3
235L39.8Very low36.1Very low156 Ų156138.1 Ų138.182%0.81781%0.814SS**  trans101168.2153.9-47.3-174000117.2
236P43.8Very low35.9Very low107 Ų107133.3 Ų133.370%0.69581%0.807SS**  -141.1-154.6-109.530.8-1.6000114.8
237V31.4Very low35.6Very low139 Ų139134 Ų13484%0.84281%0.805SS**  trans80.1143.2160.5-179.20000114.9
238A34.5Very low36.3Very low81 Ų81134.1 Ų134.167%0.66980%0.803SS**  cis-153.9-177.613.100000114.9
239N28.8Very low35.9Very low170 Ų170133.9 Ų133.991%0.90980%0.801SS**  trans77.1135.6164.2-74.3-1000119.3
240G32.9Very low35.6Very low68 Ų68131.2 Ų131.270%0.70180%0.796SS**  cis170.1147.1-8.800000114.4
241N33Very low35.6Very low159 Ų159131.1 Ų131.185%0.8579%0.79SS**  trans67.7105.8162.4-74.96.1000123.1
242S36.4Very low36.1Very low104 Ų104131.8 Ų131.873%0.72779%0.792SS**  109.1144.1106.576.10000122.1
243L42.5Very low36Very low163 Ų163130.9 Ų130.985%0.85379%0.786SS**  trans94.5140.5161.2-60.9175.3000120.3
244N32.9Very low36.5Very low151 Ų151133 Ų13381%0.80779%0.786SS**  trans-103.3143.2-163.7-54-62.4000112.4
245K35.8Very low37.3Very low193 Ų193130.9 Ų130.984%0.83978%0.781SS**  162.1126.6115-94-163.6169.1-175.60115.3
246V33.2Very low37.1Very low127 Ų127129.8 Ų129.877%0.7778%0.781SS**  72.3139.5128.4-179.60000121.6
247I35.4Very low36.9Very low150 Ų150133.9 Ų133.977%0.76979%0.791SS**  trans-111.6156176.73.5171.6000109.2
248P47Very low37.2Very low119 Ų119130.5 Ų130.577%0.77378%0.784SS**  -154.9150.567.840.8-19.8000119.8
249A29.6Very low37.2Very low87 Ų87133.1 Ų133.172%0.71979%0.792SS**  36.1157.1129.200000125.8
250K29.2Very low37.7Very low192 Ų192133 Ų13384%0.83579%0.786SS**  trans88.2110.4144.2-86.1178.6174.6-177.10122.3
251S31.3Very low37.8Very low97 Ų97137.4 Ų137.468%0.67879%0.792SS**  48.5129.1129.261.50000122.6
252P43.5Very low37.8Very low127 Ų127133.7 Ų133.783%0.82579%0.792SS**  trans-91.2145.6172.936.2-33.6000114.6
253P45.7Very low38.2Very low118 Ų118133.4 Ų133.477%0.76680%0.796SS**  trans-119.6-163.4168.448.3-36.5000110.8
254P43.5Very low38.5Very low122 Ų122131.7 Ų131.779%0.79280%0.795SS**  trans-113.9-179.6-130.113.214.8000115.4
255P53.2Low38.5Very low119 Ų119129.8 Ų129.877%0.77379%0.793SS**  trans-101.1155.7-170.738.1-34.5000116
256T36.3Very low38.6Very low133 Ų133131.6 Ų131.682%0.81680%0.795SS**  trans-147150.6163.441.70000114.2
257H39.6Very low39.1Very low192 Ų192134.7 Ų134.789%0.88980%0.798SS**  trans-38.4163.3177.5-48.5-96.1000118.4
258G36.5Very low39.3Very low68 Ų68133.9 Ų133.970%0.70180%0.802SS**  cis-173.6170.42.700000109.4
259T35.9Very low38.7Very low137 Ų137134.9 Ų134.984%0.8480%0.801SS**  179.1144.276.5-41.10000111.7
260Q37.3Very low39.2Very low166 Ų166138.4 Ų138.478%0.77681%0.807SS**  trans46.3111.8155.1-103.4-17374.900124.2
261L35.5Very low40Very low161 Ų161140 Ų14084%0.84381%0.808SS**  166.9145.996.8-95.4167.5000111.9
262G32.8Very low40.6Very low82 Ų82142.1 Ų142.185%0.84582%0.816SS**  trans99.6125.5169.300000116.7
263A44.5Very low40.4Very low98 Ų98143.2 Ų143.281%0.8181%0.814SS**  trans-125.5-178.4176.500000109.6
264P49.8Very low40Very low126 Ų126143.5 Ų143.582%0.81881%0.814SS**  cis-122.9-170.1-11.844.4-29.6000110.4
265S32.8Very low39.4Very low112 Ų112142.7 Ų142.778%0.78381%0.811SS**  cis-145.7151.8-8.6-160.60000108.2
266R37.2Very low38.5Very low230 Ų230145.8 Ų145.887%0.86882%0.815SS**  trans-129.8144.7174.8-79.7-179.1174171.7-0.4110.4
267K44.6Very low38.3Very low192 Ų192144.4 Ų144.484%0.83582%0.817SS**  trans20133.2152.7-42.3176.9-174.2-174.40118.7
268P39.1Very low38Very low133 Ų133139 Ų13986%0.86481%0.813SS**PPolyproline II helixtrans-95.9126.5143.732.8-24.1000110.4
269D35.6Very low37.9Very low140 Ų140146.2 Ų146.275%0.74983%0.825SS**PPolyproline II helixtrans-96161.6154.1-165.68.5000108.6
270L39.1Very low37.7Very low161 Ų161142.9 Ų142.984%0.84382%0.818SS**PPolyproline II helixtrans-54.3137.3-168.2-73.8132.5000113.8
271R45.3Very low37.5Very low226 Ų226142.8 Ų142.885%0.85382%0.822SS**  trans-122.9125.7158.9-75.8-165.2-96.4-166.1-4.7109.8I273R271-I273 PolarHBondContact O-N 2.65Å
272V44.3Very low37.3Very low141 Ų141141.7 Ų141.786%0.85581%0.814SS**  trans-69124.5169.4175.30000108.2
273I40.5Very low37.5Very low150 Ų150145 Ų14577%0.76981%0.808SS**  trans-130.8122.8168.6-62.1-179.3000108.2R271R271-I273 PolarHBondContact O-N 2.65Å
274T36.9Very low36.8Very low125 Ų125147.4 Ų147.477%0.76780%0.801SS**  trans-91.8129.6166.3550000109.3
275S30.7Very low36.1Very low105 Ų105147.4 Ų147.473%0.73479%0.794SS**  trans171.6131.314056.10000114.5
276Q33.5Very low36.5Very low183 Ų183148.5 Ų148.586%0.85580%0.796SS**  trans17.3127.3137.4-74.2174.3-51.100122.1
277A32.1Very low36.3Very low104 Ų104145.3 Ų145.386%0.8679%0.791SS**  55.3130.312100000122.1
278G33.2Very low36Very low78 Ų78144 Ų14480%0.80479%0.793SS**  trans177.257.2170.900000119.5
279K35.8Very low35.9Very low221 Ų221145 Ų14596%0.96179%0.786SS**  trans19.9130.3148.7-51.4173.5-176.6178.70121
280G30.3Very low36.2Very low67 Ų67145.8 Ų145.869%0.69179%0.789SS**  trans140.1134.8132.600000120.2
281L34.9Very low36Very low163 Ų163144.8 Ų144.885%0.85379%0.785SS**  trans64.6143.3166.4-71.298000118.3
282M31.2Very low35.8Very low138 Ų138142.1 Ų142.168%0.6879%0.787SS**  cis-166.2171.1-17.3-118.1-131.1-61.300110.7
283H37Very low35.4Very low153 Ų153141.5 Ų141.571%0.70878%0.779SS**  trans73.4147.1169.6-67.4-78000118.9
284H28.9Very low35Very low147 Ų147141.9 Ų141.968%0.68178%0.782SS**  cis-174.8134.3-19-173.9-131.3000111
285L35.8Very low35.1Very low126 Ų126139.4 Ų139.466%0.6678%0.775SS**  trans63.8155.7169.8-57.3174.2000117.7
286T40.8Very low35.4Very low135 Ų135144 Ų14483%0.82878%0.784SS**  cis-127.5171.712.743.60000114.3
287E32.9Very low35.3Very low164 Ų164145.3 Ų145.377%0.76678%0.782SS**  trans-91.9160.4-170.2-63.2156.389.700115.8
288D38.9Very low35.4Very low164 Ų164147.3 Ų147.388%0.87778%0.777SS**  trans173.482.1144.2-95-28.7000107.8
289H35.5Very low35.4Very low154 Ų154147.1 Ų147.171%0.71378%0.775SS**  59.710184-159.573.8000116.7
290L42.9Very low35.1Very low157 Ų157143.2 Ų143.282%0.82277%0.769SS**  -174112.7121.1-100.2167.4000111.4
291D33.7Very low35.1Very low139 Ų139145 Ų14574%0.74377%0.771SS**  trans-91.5153.9171.5-88.5-67.8000111.8
292L42.8Very low35Very low171 Ų171146.1 Ų146.190%0.89577%0.772SS**  trans-146.175.1149-144.578000113.9
293N34.3Very low35Very low128 Ų128144.4 Ų144.468%0.68477%0.774SS**  23.8119.5129.3-174.734.1000119.1
294N33.7Very low34.9Very low157 Ų157144 Ų14484%0.8478%0.782SS**  -153.2145.6118.4-151.30.3000112.3
295A38.4Very low35.3Very low74 Ų74145.6 Ų145.661%0.61279%0.789SS**  trans-112.3148.3-170.900000113.3
296Q37.1Very low35.1Very low201 Ų201145 Ų14594%0.93980%0.795SS**  trans-153.4167.6156.3-109159.124.700111.1
297R31.5Very low34.9Very low211 Ų211147 Ų14780%0.79680%0.8SS**  trans-131.6157.1-133.4-160.6-165.9174.3-124.32.8113.5
298L34.7Very low35.2Very low146 Ų146145.2 Ų145.276%0.76480%0.8SS**  trans85.8136.4162.8-60.3162.3000119.2
299G31.4Very low35.3Very low73 Ų73142.9 Ų142.975%0.75379%0.793SS**  126.247.9122.900000122.8
300V30.4Very low35.8Very low140 Ų140141.2 Ų141.285%0.84880%0.795SS**  trans13109.9147-177.70000119.6
301S30.8Very low35.4Very low103 Ų103139.8 Ų139.872%0.7279%0.793SS**  164.2132.4122.6-80.90000116.8
302Q32.8Very low35.5Very low187 Ų187139 Ų13987%0.87479%0.793SS**  trans45.7106.7138.5-60.7-109.862.700121.3
303S30.6Very low35.3Very low103 Ų103136.2 Ų136.272%0.7279%0.787SS**  179.3119.5120.455.40000111.6
304T33.9Very low35.6Very low143 Ų143136.8 Ų136.888%0.87780%0.795SS**  trans-119.9119.1167.842.80000109.7
305H38.5Very low35.8Very low182 Ų182133.9 Ų133.984%0.84379%0.793SS**  trans-84.3122175.9-79.6-86.9000111
306S32.3Very low36Very low112 Ų112136.4 Ų136.478%0.78380%0.801SS**  trans-78138.3168.3-570000110.7
307L35.1Very low36.3Very low179 Ų179132.8 Ų132.894%0.93780%0.795SS**  trans-132137.3157-77.1176.9000110
308T39.1Very low36.5Very low125 Ų125127.8 Ų127.877%0.76779%0.793SS**  trans-109.2156.9-163.2174.80000111.8
309T41Very low36.7Very low116 Ų116129.8 Ų129.871%0.71280%0.803SS**  trans-59.6159.7169.353.40000112.2
310P46Very low36.9Very low119 Ų119133.8 Ų133.877%0.77381%0.806SS**  -124.5136.512634.6-30.3000113.3
311V35.5Very low37Very low126 Ų126131.9 Ų131.976%0.76480%0.799SS**  trans-83.7139.9162.6167.60000108.3
312V35.9Very low37.2Very low124 Ų124136 Ų13675%0.75281%0.807SS**  trans-111.2117.6172.3177.20000109.9V314V312-V314 HydrophobicContact CG1-CG1 4.4Å
313S37.7Very low37.2Very low111 Ų111130.5 Ų130.578%0.77680%0.8SS**  trans-92.9137.6162.7-580000109.2
314V42.2Very low37.7Very low140 Ų140133.7 Ų133.785%0.84881%0.808SS**  trans-110.2116.6169.5-79.50000109.7V312V312-V314 HydrophobicContact CG1-CG1 4.4Å
315A37.8Very low38.2Very low96 Ų96132 Ų13279%0.79380%0.8SS**  trans-95.3153.817400000111
316T40.9Very low37.9Very low128 Ų128133.5 Ų133.579%0.78580%0.804SS**  trans-62.1155.9178-5.40000113.2
317P44Very low37.8Very low124 Ų124133.7 Ų133.781%0.80581%0.805SS**  trans-125.8153135.135.9-28.6000112.6
318S36.4Very low37.6Very low107 Ų107130.5 Ų130.575%0.74880%0.798SS**  trans-129.6131.6170.3-59.30000109.6
319L37.5Very low37.5Very low187 Ų187133.1 Ų133.198%0.97980%0.804SS**  trans-143.1165.3161.8-81.5-176.7000110
320L35.8Very low37.2Very low158 Ų158133.7 Ų133.783%0.82781%0.809SS**  trans-131.9144.4-144.1-143.6167.7000112
321S34.2Very low36.5Very low100 Ų100134.7 Ų134.770%0.69981%0.814SS**  trans70.7137.1159.7-125.50000117.2
322Q34.8Very low36.5Very low190 Ų190133 Ų13389%0.88881%0.813SS**  cis-161.6169.239.2-67.3-170.4-23.500111.6
323G31.8Very low36.2Very low71 Ų71138 Ų13873%0.73282%0.82SS**  trans127.849.3141.200000124
324L40.8Very low35.9Very low169 Ų169139.7 Ų139.789%0.88582%0.82SS**  trans50.8-168.7153.2-52.6176.3000118.1
325P45.5Very low35.5Very low107 Ų107138.4 Ų138.470%0.69581%0.813SS**  -126.4148.8-107.935.9-15.8000116.2
326F31.4Very low35.3Very low215 Ų215140.5 Ų140.594%0.94381%0.811SS**  trans-132150.9168.3-79.4-75.6000114
327S30.9Very low35Very low115 Ų115145.3 Ų145.380%0.80482%0.816SS**  trans-74146.6-165.1-174.50000114.6
328S30Very low34.6Very low112 Ų112147.7 Ų147.778%0.78382%0.817SS**  trans-92.7126.8170.557.40000112
329M37.4Very low34.6Very low180 Ų180150.2 Ų150.289%0.88782%0.821SS**  trans-110.1136.6166-80.7166.4145.500110.3
330P35.7Very low34.5Very low128 Ų128146.9 Ų146.983%0.83181%0.808SS**  trans-90.7121.8173.533.2-30.1000111.5
331T31.2Very low34.4Very low141 Ų141144.2 Ų144.287%0.86580%0.803SS**  trans-89.4113.3168.8-61.90000110.1
332A34.1Very low34.6Very low90 Ų90144.1 Ų144.174%0.74481%0.808SS**  trans-87.2145.5164.800000110.3
333Y31.2Very low34.5Very low228 Ų228143.8 Ų143.889%0.89481%0.807SS**  trans-68.2137.9172.8-84.3-102.2000111.2
334N29.7Very low34.7Very low147 Ų147147.7 Ų147.779%0.78681%0.81SS**  trans-135.2159155.5-155.1-72.8000109
335T34Very low34.7Very low113 Ų113145.7 Ų145.769%0.69381%0.81SS**  trans-138.4121.1-174.2-55.40000108.4
336D34.3Very low34Very low140 Ų140145.3 Ų145.375%0.74981%0.81SS**  trans-68.7128.9-168.9-53.6-99.5000113.6
337Y35.5Very low34.2Very low229 Ų229143 Ų14390%0.89881%0.806SS**  trans-145.3111.2148.6-95.6-75.1000109.2
338Q34.5Very low34.7Very low175 Ų175143 Ų14382%0.81880%0.803SS**  trans-100.6132.5173.8-83.4-87.752.100110.3
339L36.3Very low34.8Very low159 Ų159142.1 Ų142.183%0.83280%0.803SS**  trans-138103.7161.3-80179000110.8
340T35.2Very low34.4Very low118 Ų118143.8 Ų143.872%0.72481%0.806SS**  trans41.692.3130.9-430000119.3
341S34.5Very low34Very low102 Ų102142 Ų14271%0.71380%0.796SS**  trans59.5120.8136.1680000122.6
342A37.4Very low34Very low97 Ų97140.7 Ų140.780%0.80279%0.793SS**  trans66.6102.9135.500000119.9
343E33.8Very low34.6Very low184 Ų184142.7 Ų142.786%0.8680%0.798SS**  -161.9174.6113.9-104.6-159.6128.800110.5
344L35.3Very low34.5Very low153 Ų153135.8 Ų135.880%0.80180%0.797SS**  trans79.774.1170.3-49.9-176.1000118.7
345S40.1Very low34.7Very low127 Ų127132.4 Ų132.489%0.88880%0.796SS**  trans-81.8105.9143.7-65.60000110
346S31.9Very low34.7Very low99 Ų99135.5 Ų135.569%0.69281%0.808SS**  trans-177.1125.2151.3250000114.9
347L35.2Very low34.5Very low165 Ų165134.8 Ų134.886%0.86481%0.814SS**  trans69.7163.4156.3-53.1174.1000117.1
348P41.8Very low34.2Very low115 Ų115131.9 Ų131.975%0.74781%0.813SS**  -129.7175.2-70.836.3-20000112.9
349A31.7Very low34Very low95 Ų95126.9 Ų126.979%0.78581%0.809SS**  trans-62.1141.217600000113.1
350F28.7Very low33.7Very low215 Ų215126.8 Ų126.894%0.94381%0.809SS**  trans-132.3147156.9-148.4-91000109.6
351S28.1Very low33.6Very low89 Ų89127.6 Ų127.662%0.62281%0.814SS**  trans-115.1139.8-153.3-47.10000113.9
352S31.7Very low33.5Very low114 Ų114129.1 Ų129.180%0.79782%0.819SS**  trans74.3172.8147-49.90000117.5
353P46.1Very low33.2Very low132 Ų132129 Ų12986%0.85782%0.818SS**  -136.9-174.9-72.141.4-25.4000112.8
354G29.3Very low33.2Very low83 Ų83131.2 Ų131.286%0.85682%0.818SS**  trans-173.157175.100000116.1
355G33.5Very low33.1Very low76 Ų76132.7 Ų132.778%0.78482%0.821SS**  trans-92.6162.617500000114.1
356L33.3Very low33Very low179 Ų179135.2 Ų135.294%0.93782%0.819SS**  trans-60.1147.1176-53.7164.2000112.5
357S29.9Very low33.7Very low125 Ų125135.5 Ų135.587%0.87482%0.819SS**  -173.5167.9120.4-1530000113.9
358L30.5Very low33.6Very low167 Ų167137.4 Ų137.487%0.87482%0.823SS**  trans-80.2143.7179.3-128.770.9000112.7
359G29.8Very low33.2Very low71 Ų71141 Ų14173%0.73283%0.83SS**  75.5131.2127.400000121.7
360N30.9Very low33.7Very low156 Ų156142 Ų14283%0.83483%0.829SS**  trans92.6126.2148.1-90.711.4000123.1
361V32Very low33.8Very low136 Ų136141.3 Ų141.382%0.82483%0.828SS**  trans73.2144.3148.3-58.50000122.9
362T32.7Very low34.2Very low134 Ų134146 Ų14682%0.82284%0.84SS**  trans-92.8145-163.1-200000113.6
363A31.8Very low34.7Very low95 Ų95146.7 Ų146.779%0.78584%0.842SS**  trans-166.7153.5143.400000112.7
364W32.5Very low34Very low229 Ų229149.9 Ų149.987%0.86785%0.845SS**  trans-74.4169.5174-57.682.1000110.6
365Q33.3Very low34.5Very low184 Ų184154.8 Ų154.886%0.8685%0.846SS**  cis-164.6-160.738.8-153.9144.136.200113.1
366Q38.3Very low34.8Very low180 Ų180157.4 Ų157.484%0.84185%0.849SS**  trans-107.2-164.8-152.8-138.1-169.221.300114.3
367P47.3Very low35.1Very low106 Ų106157.9 Ų157.969%0.68885%0.847SS**  -119176.8-121.243.1-27000116.8
368Q32Very low35.7Very low205 Ų205157.4 Ų157.496%0.95884%0.84SS**  trans-154.5174155.9-118.8177.639.300115.4
369Q33.4Very low36.3Very low190 Ų190155.9 Ų155.989%0.88884%0.841SS**  trans-110.4179.4-149.9-103.9-169.5-1500115.4
370P42Very low36.6Very low117 Ų117161.3 Ų161.376%0.7685%0.847SS**  trans-103.2177.1-151.641.7-39.5000116.5
371Q32Very low37.2Very low200 Ų200162.8 Ų162.894%0.93585%0.849SS**  trans-138.6157.8164.6-125.5174.714.500113.4
372Q35.3Very low37.5Very low187 Ų187165.3 Ų165.387%0.87485%0.852SS**  trans-98.7167.2-161.2-94.7-178.6-17.100115.3
373P42Very low38Very low128 Ų128164.6 Ų164.683%0.83185%0.85SS**  trans-94.4170.3-167.738.4-37.2000115.1
374Q33.1Very low39Very low199 Ų199165.7 Ų165.793%0.9385%0.848SS**  trans-127.5139.4177.4-146.8171.65000111.6
375Q38.6Very low39.2Very low187 Ų187163.8 Ų163.887%0.87485%0.849SS**PPolyproline II helixtrans-91152-176.8-71.2178.1-37.500113.5
376P40.9Very low39.8Very low130 Ų130159.7 Ų159.784%0.84484%0.839SS**PPolyproline II helixtrans-96150.9158.3-5.725.9000113.9
377Q38.1Very low39.7Very low190 Ų190159.3 Ų159.389%0.88884%0.837SS**PPolyproline II helixtrans-94.9163.2178.2-71.8178.1-40.200113.9
378P44.1Very low39.3Very low114 Ų114162.3 Ų162.374%0.7484%0.842SS**PPolyproline II helixtrans-100.3154.2175.538-33.1000114.3
379P41.6Very low39.9Very low135 Ų135157.8 Ų157.888%0.87783%0.83SS**PPolyproline II helixtrans-87.3157.2166.2-12.330.6000114.7
380Q37.7Very low40Very low186 Ų186157.5 Ų157.587%0.86983%0.829SS**PPolyproline II helixtrans-99.6167.9-172.1-69.2177-12.800115.3
381Q43.5Very low40.2Very low187 Ų187157.5 Ų157.587%0.87483%0.828SS**PPolyproline II helixtrans-96.7152.7168.9-59.9174.1500112
382Q37.4Very low40.8Very low188 Ų188157.1 Ų157.188%0.87983%0.827SS**  trans-148.3162.5164.4-91.5-158.2-12.500112.5
383P42.6Very low40.9Very low120 Ų120157.4 Ų157.478%0.77983%0.828SS**  trans-109.5-178.6-144.34.919.4000117.5
384P53.5Low41Very low117 Ų117157.2 Ų157.276%0.7683%0.827SS**  trans-111.8164.4-168.441.2-34.5000117.1
385Q37.3Very low41.4Very low189 Ų189157 Ų15788%0.88383%0.826SS**  trans163.5171.6150.2-95.6-173.724.400111.8
386P45.2Very low41.3Very low99 Ų99157.2 Ų157.264%0.64383%0.827SS**  -142.3168.1-53.341.1-23.1000117.3
387Q36.3Very low41.4Very low171 Ų171156.9 Ų156.980%0.79983%0.825SS**  trans66.4153.8151.1-92178.146.700121.1
388Q39Very low41.3Very low170 Ų170157.3 Ų157.379%0.79483%0.827SS**  cis-152.7-177.720.2-116.4-178.933.800113.6
389P44.4Very low41.1Very low109 Ų109160.6 Ų160.671%0.70883%0.832SS**  trans-122.5-169.7-155.547.2-41.9000120.7
390Q35.3Very low41.1Very low185 Ų185159.6 Ų159.686%0.86483%0.826SS**  trans90.2158.5161-82.9-167.74.100120.6
391P46Very low41.2Very low116 Ų116156.9 Ų156.975%0.75382%0.824SS**  cis-129.2-179.5-4.836.3-17.2000116.6
392Q44.2Very low40.8Very low193 Ų193157.2 Ų157.290%0.90283%0.826SS**  trans-100.7157.8172.7-76.1175.8-30.800113.3
393Q37.3Very low40.7Very low193 Ų193156.9 Ų156.990%0.90282%0.824SS**  trans-140.8161.3165-88.7-161.6-6.300112.1
394P44.2Very low40.2Very low124 Ų124160.2 Ų160.281%0.80583%0.829SS**  trans-106.8165-14619.9-2.1000117.1
395Q41.5Very low39.1Very low195 Ų195158.9 Ų158.991%0.91182%0.823SS**  trans-80.2150.2172.7-72.1175.9-24.800113.1
396Q36.8Very low38.7Very low190 Ų190158.8 Ų158.889%0.88882%0.822SS**  trans-132155.6160.9-88-168.2-2.600110.9
397P42.9Very low38Very low124 Ų124161.3 Ų161.381%0.80583%0.83SS**  trans-92.4158.9-164.336.5-36.2000114.3
398Q36.3Very low37.7Very low199 Ų199159.4 Ų159.493%0.9383%0.829SS**  trans-123.9146.6167-97.2-177-2.100113
399Q39.3Very low37.9Very low183 Ų183156.6 Ų156.686%0.85583%0.826SS**PPolyproline II helixtrans-90.6164.4-174.6-78-179.7-18.400112.7
400P43Very low37.3Very low114 Ų114158 Ų15874%0.7483%0.832SS**PPolyproline II helixtrans-81.7150.4-178.733.4-36.3000113.3
401P40.3Very low37.1Very low128 Ų128154.8 Ų154.883%0.83183%0.83SS**PPolyproline II helixtrans-81.4145.1170.632-32.8000112.9
402Q33.8Very low36.6Very low194 Ų194156.6 Ų156.691%0.90783%0.832SS**PPolyproline II helixtrans-90.5171.9174.6-73.9-171.8-1000113
403Q36.2Very low36Very low181 Ų181152.8 Ų152.885%0.84683%0.827SS**PPolyproline II helixtrans-60.1151.2173.4-61.8167.7-12.700113.4
404Q30.9Very low35.8Very low190 Ų190150.8 Ų150.889%0.88882%0.823SS**  trans-148.8135.1132.9-130.9173.226.700115
405S30.6Very low35.2Very low90 Ų90153.1 Ų153.163%0.62983%0.827SS**  trans-67.9160.3-172.3-32.40000115.8
406H28.3Very low34.9Very low186 Ų186151.2 Ų151.286%0.86182%0.822SS**  trans-144.3123.8138.211.6-70.7000110.4
407L31.6Very low35.4Very low153 Ų153148.3 Ų148.380%0.80182%0.819SS**  trans-83.1173.5162.6-59.5121.9000107.7
408V30.6Very low34.7Very low130 Ų130146.1 Ų146.179%0.78882%0.819SS**  cis-165.8-171.422.8-126.90000105.6
409P42.8Very low34.7Very low111 Ų111142.3 Ų142.372%0.72182%0.815SS**  cis-126.3167-36.734.9-19.3000112.8
410V31.6Very low34.8Very low140 Ų140139.5 Ų139.585%0.84881%0.812SS**  trans-97.9139.1157.9174.60000108.3
411S30.1Very low34.5Very low116 Ų116141.8 Ų141.881%0.81182%0.817SS**  trans-118.8136.7175.1-1680000111.2
412L35.7Very low34.7Very low155 Ų155141.4 Ų141.481%0.81282%0.815SS**  trans-128.5128.9174.3-78.8170.2000108.4
413S32.6Very low34.6Very low113 Ų113140.6 Ų140.679%0.7981%0.811SS**  trans177.9124.6139.1-82.60000113.5
414N32.3Very low34.5Very low151 Ų151137.9 Ų137.981%0.80781%0.806SS**  trans36.4128.5142.8-60.5-6.2000122
415L31Very low34.5Very low173 Ų173132.1 Ų132.191%0.90680%0.797SS**  -169.6141105.5-96.9159.2000112.8
416I36.8Very low34.6Very low155 Ų155133 Ų13380%0.79581%0.81SS**  trans-117.7147.1171-80.3172000104.5
417P46.7Very low34.9Very low129 Ų129128.2 Ų128.284%0.83880%0.803SS**  cis-141.4172.339.930-6.2000118.3
418G28.6Very low34.8Very low77 Ų77128.8 Ų128.879%0.79481%0.806SS**  trans167.8103.3162.500000115.2
419S35.3Very low35Very low120 Ų120128.6 Ų128.684%0.83981%0.805SS**  trans-86.2176.5174.8-32.40000112.1
420P42.8Very low34.5Very low124 Ų124129.8 Ų129.881%0.80581%0.81SS**  cis-129.9-179.6-13.338.3-20.2000114.7
421L35.8Very low34.5Very low162 Ų162129 Ų12985%0.84881%0.806SS**  trans-64.1151.8173.2-83.1154.7000113.7
422P44Very low34.9Very low120 Ų120128.9 Ų128.978%0.77980%0.8SS**  -151.8147.984.838.6-19.2000119.3
423H32.9Very low34.8Very low177 Ų177130.2 Ų130.282%0.81980%0.802SS**  trans54.6145.8133.1-144.133.2000124.3
424V33.6Very low35.5Very low124 Ų124130.5 Ų130.575%0.75280%0.801SS**  trans83.6109.2158.9-167.30000120.7
425G30.3Very low35.7Very low68 Ų68131.5 Ų131.570%0.70180%0.8SS**  99.1138.2114.900000121.8
426A33.5Very low36.2Very low108 Ų108131 Ų13189%0.89380%0.797SS**  trans65157.4159.400000118.6
427A33.7Very low36.3Very low86 Ų86128.7 Ų128.771%0.71180%0.795SS**  cis-174.3143.6-29.200000107.6
428L29.6Very low35.9Very low166 Ų166130.4 Ų130.487%0.86980%0.795SS**  trans-145.595.7165.3-78.6-175.7000113.8
429T34.3Very low36.2Very low126 Ų126136.1 Ų136.177%0.77380%0.798SS**  trans31.5121.6138.956.50000121.8
430V33.7Very low36.8Very low136 Ų136135.5 Ų135.582%0.82479%0.794SS**  trans-86.2134.2162.6169.50000110.9T432V430-T432 HydrophobicContact CG1-CG2 4.44Å
431T31.6Very low36.7Very low123 Ų123138.2 Ų138.276%0.75580%0.796SS**  trans-94.2130.1169.6-57.10000110.3
432T38.6Very low37Very low113 Ų113135.6 Ų135.669%0.69379%0.788SS**  trans-104.2141.5-175.358.50000112.1V430V430-T432 HydrophobicContact CG1-CG2 4.44Å
433H32.5Very low37.3Very low184 Ų184136.8 Ų136.885%0.85279%0.793SS**  trans-122.3116.7162.3-75.5-60.7000109.2
434P47.1Very low37.6Very low119 Ų119133.3 Ų133.377%0.77379%0.789SS**  trans-87.6152175.234.1-32.1000111.5
435H37.8Very low38Very low171 Ų171133.3 Ų133.379%0.79279%0.791SS**  trans108.272.7165.4-157.2-86.4000117.8
436I41.8Very low38.5Very low162 Ų162135.9 Ų135.983%0.83180%0.799SS**  trans-130.8123.7147.545.3172.3000109.6I438I436-I438 PolarHBondContact O-N 3.4Å
437S39Very low38.8Very low108 Ų108142.5 Ų142.576%0.75580%0.801SS**  trans-78.4118177.3-75.20000110.5K439S437-K439 PolarHBondContact O-N 3.03Å; S437-K439 VanDerWaalsContact O-N 3.11Å
438I38.1Very low38.9Very low164 Ų164147 Ų14784%0.84181%0.807SS**  trans-77.297.1170.9-57.7175.4000108I436 S440I436-I438 PolarHBondContact O-N 3.4Å; I438-S440 PolarHBondContact O-N 3.07Å
439K34Very low39.6Very low198 Ų198150.7 Ų150.786%0.86181%0.809SS**  trans-73.9111.8169.4179.3179.3171.5-173.80108.3S437S437-K439 PolarHBondContact O-N 3.03Å; S437-K439 VanDerWaalsContact O-N 3.11Å
440S47.8Very low39.8Very low106 Ų106150 Ų15074%0.74181%0.81SS**PPolyproline II helixtrans-64.6134.9176.736.20000111.9I438I438-S440 PolarHBondContact O-N 3.07Å
441E40.6Very low40.4Very low182 Ų182149.6 Ų149.685%0.8581%0.81SS**PPolyproline II helixtrans-76.9149.9167.4-104.5-168.491.600111.3
442P42.3Very low41.3Very low106 Ų106148.1 Ų148.169%0.68881%0.81SS**PPolyproline II helixtrans-80135.6178.932.3-32.9000112S444P442-S444 PolarHBondContact O-N 3.38Å
443V51.7Low41.8Very low146 Ų146148.3 Ų148.389%0.88581%0.813SS**PPolyproline II helixtrans-63.6125.8171.766.10000110.7
444S37.3Very low43Very low104 Ų104145.2 Ų145.273%0.72781%0.81SS**PPolyproline II helixtrans-89.8147.1174.9-71.20000111.3P442P442-S444 PolarHBondContact O-N 3.38Å
445P42.6Very low43.3Very low123 Ų123145.1 Ų145.180%0.79981%0.809SS**PPolyproline II helixtrans-79.5153.2-163.731.2-36.6000114.3R447P445-R447 PolarHBondContact O-N 2.96Å
446S40.1Very low43.6Very low123 Ų123142.9 Ų142.986%0.8681%0.809SS**PPolyproline II helixtrans-58.3119.4174.1-56.90000111.8E448S446-E448 PolarHBondContact O-N 3.12Å
447R40.4Very low43.5Very low247 Ų247139.6 Ų139.693%0.93281%0.806SS**  trans-84.9106.9175.8176.8169.7156.7178.8-7.7110.4P445P445-R447 PolarHBondContact O-N 2.96Å
448E36.5Very low43.7Very low179 Ų179141 Ų14184%0.83681%0.811SS**  trans-62.3158.3175.8-68.1-159.910000113.5S446S446-E448 PolarHBondContact O-N 3.12Å
449R43.9Very low43.7Very low244 Ų244142.2 Ų142.292%0.92181%0.81SS**  trans-96.6102.7-168.6-170-175.8-148.7-131.46.2111.2
450S38.4Very low43.8Very low112 Ų112138.8 Ų138.878%0.78381%0.808SS**PPolyproline II helixtrans-72.7143170.7-61.90000112.1
451P45.9Very low43.3Very low127 Ų127138.6 Ų138.683%0.82581%0.813SS**PPolyproline II helixtrans-80.2157.3-17732.8-35.8000113.3
452A51.4Low43Very low93 Ų93135 Ų13577%0.76981%0.814SS**PPolyproline II helixtrans-78.2153.9178.900000113
453P49.3Very low42.7Very low117 Ų117140.1 Ų140.176%0.7682%0.819SS**PPolyproline II helixtrans-74.1155.417831.5-35.9000112.9
454P56.4Low42Very low119 Ų119138.7 Ų138.777%0.77381%0.813SS**PPolyproline II helixtrans-76.8153.7-179.432.1-35.6000113.1
455P54.7Low42Very low117 Ų117141.2 Ų141.276%0.7681%0.813SS**PPolyproline II helixtrans-76.2158.817732.7-35.8000112.8
456P44.5Very low42.1Very low123 Ų123140.6 Ų140.680%0.79981%0.81SS**PPolyproline II helixtrans-72149.3179.630.5-35.5000112.7
457A38.8Very low41.8Very low93 Ų93138.5 Ų138.577%0.76981%0.807SS**PPolyproline II helixtrans-74139.1179.300000112.5
458V42.6Very low41.4Very low139 Ų139135 Ų13584%0.84281%0.807SS**  trans-105.2125.7172.7178.50000108.7
459F38.8Very low41.2Very low189 Ų189130.1 Ų130.183%0.82980%0.804SS**PPolyproline II helixtrans-78.9139.6173.8-69.2-90000110.7
460P36.9Very low40.8Very low126 Ų126126.5 Ų126.582%0.81880%0.803SS**PPolyproline II helixtrans-77.2129.9175.530.9-32.6000111.1
461A36.4Very low40.6Very low102 Ų102126.8 Ų126.884%0.84380%0.804SS**PPolyproline II helixtrans-79.3144169.400000110.7
462A35Very low40.2Very low105 Ų105126.4 Ų126.487%0.86881%0.805SS**PPolyproline II helixtrans-69.2149-17500000113.5
463R34.3Very low40.5Very low214 Ų214128 Ų12881%0.80881%0.808SS**PPolyproline II helixtrans-98.7131.5177.2-169.1-174-158.5-126.39109.2
464P38.1Very low39.7Very low117 Ų117127.5 Ų127.576%0.7681%0.813SS**PPolyproline II helixtrans-80.4142.4168-8.526000111.1
465E37Very low38.4Very low156 Ų156125.5 Ų125.573%0.72981%0.814SS**PPolyproline II helixtrans-77.4158.7172.4-76.1-73.89800112.1
466P44.4Very low37.1Very low111 Ų111123.8 Ų123.872%0.72182%0.817SS**PPolyproline II helixtrans-81.8150.6175.334.7-33.8000112
467G34.2Very low36.5Very low78 Ų78122.7 Ų122.780%0.80481%0.813SS**  trans-124.1124.5170.100000111.3
468D32.7Very low36.2Very low174 Ų174128.5 Ų128.593%0.9382%0.816SS**  trans-72.2150.1173.7-64.9-68.8000112.1
469G31.5Very low35.7Very low76 Ų76129.2 Ų129.278%0.78481%0.811SS**  trans177.954.6-177.500000118.6
470L35.8Very low35.5Very low169 Ų169125.8 Ų125.889%0.88581%0.805SS**  trans22.9141.5148.2-61.7172.3000123.2
471S33.7Very low35.3Very low117 Ų117123.4 Ų123.482%0.81880%0.803SS**  trans104.2140.7143-64.30000120.5
472S37Very low35.2Very low119 Ų119125.4 Ų125.483%0.83280%0.8SS**  trans-108.3-153.7-166.6-500000112.2
473P58.6Low35.4Very low128 Ų128132.6 Ų132.683%0.83181%0.805SS**  -124.7164.5-114.636.7-16.9000116.6
474A32.9Very low35.5Very low105 Ų105128.8 Ų128.887%0.86880%0.8SS**  trans-160.8155.516100000109
475G29.4Very low35.6Very low78 Ų78130.7 Ų130.780%0.80480%0.804SS**  cis14588.8-2.700000112.5
476G27.2Very low35.4Very low80 Ų80126.1 Ų126.183%0.82580%0.799SS**  trans77.2173.5175.700000115.5
477S30.7Very low35Very low101 Ų101133.1 Ų133.171%0.70681%0.811SS**  cis-173.5165.4-18.6-170.60000108.5
478Y33.6Very low35Very low214 Ų214132.9 Ų132.984%0.83981%0.808SS**  trans59.4153.8164.488.3-93.7000118.6
479E32Very low35.1Very low155 Ų155131.2 Ų131.272%0.72480%0.8SS**  cis-144.7137.7-6.6-104.8-139.497.400107.7
480T33.9Very low35.1Very low117 Ų117136.5 Ų136.572%0.71880%0.801SS**  83.4135.396.7-52.20000116
481G33.6Very low34.8Very low75 Ų75131.7 Ų131.777%0.77379%0.792SS**  trans166.265178.200000116.2
482D34.1Very low35.6Very low144 Ų144132.6 Ų132.677%0.7780%0.795SS**  trans-52.4151.7177.3-83-107.6000116.9
483R39.8Very low35.4Very low256 Ų256133.2 Ų133.297%0.96679%0.794SS**  trans-155117.5130-112.4168.4-172.8171.73.4112.1
484D34.9Very low34.3Very low134 Ų134135.7 Ų135.772%0.71780%0.8SS**  trans-79.5154.6179.1178.9-123.9000113.2
485D39.9Very low34.2Very low157 Ų157133.6 Ų133.684%0.8479%0.788SS**  trans179.1133.3130.8-121-56.1000109.8
486G34.4Very low34.3Very low60 Ų60137.8 Ų137.862%0.61979%0.791SS**  trans148.913.3153.900000125.9
487R34.5Very low34.5Very low259 Ų259141.9 Ų141.998%0.97779%0.793SS**  trans63.4143.3155.9-65.9176.4165.4-100.7-3123
488G34.6Very low34.4Very low73 Ų73147.1 Ų147.175%0.75380%0.798SS**  trans120.664.1145.800000117.4
489D34.3Very low34.3Very low139 Ų139143 Ų14374%0.74380%0.797SS**  93.9144.475.6-150.7-6.8000115
490F32.5Very low34.4Very low187 Ų187138.8 Ų138.882%0.8279%0.789SS**  trans67.8113.4178.6-69.4-82.7000122.4
491G29.9Very low34.9Very low67 Ų67138.6 Ų138.669%0.69179%0.789SS**  trans-94.8-152.9153.300000112.1
492P49Very low34.8Very low136 Ų136143.5 Ų143.588%0.88379%0.792SS**  cis-137.9-156.622.843.3-23.2000115.8
493T32.6Very low35.2Very low132 Ų132141.1 Ų141.181%0.8179%0.785SS**  trans-100151-15552.10000117.7
494L36.6Very low34.8Very low181 Ų181137.6 Ų137.695%0.94878%0.779SS**  trans-168.1157.8143-98.7172.5000108.1
495G30Very low34.7Very low61 Ų61136.3 Ų136.363%0.62979%0.787SS**  cis166.7126.2-12.600000113.5
496L32.1Very low34.3Very low165 Ų165138.1 Ų138.186%0.86479%0.791SS**  trans42.5114159.5-84.1154.9000120.8
497L30.8Very low34.1Very low167 Ų167139 Ų13987%0.87480%0.799SS**  169.2150109.6-96.7146.6000113.2
498R30Very low34.2Very low211 Ų211131.6 Ų131.680%0.79679%0.787SS**  trans-117.9142.7174.3-178.7178.1-176169.23.3109.1
499P31.8Very low34.3Very low127 Ų127132.5 Ų132.583%0.82579%0.788SS**  -133.9157.1124.930.9-16.9000113.3
500A32.8Very low34.5Very low67 Ų67131.9 Ų131.955%0.55479%0.789SS**  trans-112.1171162.100000106.8
501P45.3Very low35Very low112 Ų112132.1 Ų132.173%0.72779%0.79SS**  cis-138.2164.817.542.6-25.1000117.4
502E31.6Very low35.5Very low179 Ų179140.7 Ų140.784%0.83680%0.801SS**  trans46.2159.8135.9-65.5-104.1102.800122.1
503P43.1Very low34.8Very low94 Ų94142.3 Ų142.361%0.6180%0.799SS**  cis-135.8-175.33.945.5-29.1000116
504E29.5Very low35.3Very low182 Ų182146 Ų14685%0.8580%0.798SS**  trans59.2115.3156.1-47.2-160.6109.200122.4
505A33.1Very low35.7Very low107 Ų107143.9 Ų143.988%0.88479%0.787SS**  177.7145.6110.400000112.3
506E31.1Very low36.1Very low195 Ų195146.7 Ų146.791%0.91179%0.788SS**  trans-90.8127.5-160.4-156.4-178.6138.900114.8S508E506-S508 PolarHBondContact O-N 3.42Å
507G31.6Very low36.4Very low77 Ų77144.9 Ų144.979%0.79478%0.784SS**  trans-87.497.7177.700000113.5A509G507-A509 PolarHBondContact O-N 3.09Å
508S36Very low37.1Very low104 Ų104147.5 Ų147.573%0.72778%0.782SS**  trans-70.5109.9-178.4-1740000113.8E506 V510E506-S508 PolarHBondContact O-N 3.42Å; S508-V510 PolarHBondContact O-N 3.46Å
509A36Very low37.8Very low93 Ų93143.3 Ų143.377%0.76978%0.78SS**  trans-82.596174.600000111.8G507 K511G507-A509 PolarHBondContact O-N 3.09Å; A509-K511 PolarHBondContact O-N 3.14Å
510V40.3Very low38.5Very low126 Ų126145.5 Ų145.576%0.76478%0.784SS**  trans-69.799.6-179.7179.80000112.1S508 R512S508-V510 PolarHBondContact O-N 3.46Å; V510-R512 PolarHBondContact O-N 2.97Å
511K41.4Very low38.7Very low192 Ų192155.2 Ų155.284%0.83581%0.813SS**  trans-57.5122162.3-79.6170.9174.7165.50109.8A509 M513A509-K511 PolarHBondContact O-N 3.14Å; K511-M513 VanDerWaalsContact C-N 3.32Å; K511-M513 PolarHBondContact O-N 3.32Å
512R41.5Very low38.4Very low247 Ų247157.4 Ų157.493%0.93282%0.818SS**  trans-71.489.7166.5-68.1-173.5-145.6160.28.5109.8V510 R514V510-R512 PolarHBondContact O-N 2.97Å; R512-R514 PolarHBondContact O-N 2.93Å
513M34.2Very low38.7Very low169 Ų169156.2 Ų156.283%0.83382%0.817SS**PPolyproline II helixtrans-68.5122.5169.3-168.5166.2171.500109.2K511K511-M513 VanDerWaalsContact C-N 3.32Å; K511-M513 PolarHBondContact O-N 3.32Å
514R42.5Very low38.5Very low209 Ų209159.7 Ų159.779%0.78983%0.828SS**PPolyproline II helixtrans-79.1121172.3-179.4-173.7-177.1101.6-2.7107.2R512R512-R514 PolarHBondContact O-N 2.93Å
515L44.1Very low39Very low138 Ų138158.4 Ų158.472%0.72383%0.827SS**PPolyproline II helixtrans-98135.8173.4-150.975.1000110.2
516D40.3Very low39.4Very low120 Ų120161.6 Ų161.664%0.64282%0.823SS**  trans-89.5175.8-165.6-75.9-61.6000115W518D516-W518 PolarHBondContact O-N 3.17Å
517T37.4Very low39.9Very low127 Ų127159.3 Ų159.378%0.77982%0.817SS**  trans-64.7120.8178.5-66.80000111.8T519T517-T519 HydrophobicContact CG2-CG2 4.47Å
518W46Very low40.5Very low221 Ų221165.2 Ų165.284%0.83782%0.819SS**  trans-85.3109.2166.4-73.588.9000110.5D516D516-W518 PolarHBondContact O-N 3.17Å
519T43.7Very low40.9Very low123 Ų123169.9 Ų169.976%0.75583%0.826SS**  trans-83.2116161.746.90000109.1T517T517-T519 HydrophobicContact CG2-CG2 4.47Å
520L46.2Very low41.3Very low174 Ų174176.3 Ų176.391%0.91183%0.831SS**  trans-72.1146.5168.3-126.778.6000110.2
521K38.1Very low41.4Very low270 Ų270180.9 Ų180.9100%1.17484%0.837SS**  trans-116.90170.7-179.2176.4179.7179.50109.1

Retrieved 521 of 521 residues in 88 ms (Link to these results)