A0A087XWL0_POEFO Loading...

Drebrin 1

AlphaFold DB , UniProt , Accession A0A087XWL0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 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
1M53.1Low68.1Low207 Ų207133.3 Ų133.3100%1.0263%0.626SS**  0-48.20-93.4-157.3-69.500111.6E3 E4 E5M1-E3 PolarHBondContact O-N 3.01Å; M1-E4 PolarHBondContact O-N 2.92Å; M1-E5 PolarHBondContact O-N 3.38Å
2Q61.9Low68.2Low165 Ų165136.8 Ų136.877%0.77163%0.628SS**Hα-helixtrans-64.3-36.7-177.3-163.2161.65.300114.5E4 E5 E6Q2-E4 PolarHBondContact O-N 3.11Å; Q2-E5 PolarHBondContact O-N 3.33Å; Q2-E6 PolarHBondContact O-N 3.16Å; Q2-E6 VanDerWaalsContact O-N 3.17Å
3E63.2Low67.9Low163 Ų163131.9 Ų131.976%0.76261%0.611SS**Hα-helixtrans-69.7-29.9177.8-171.3178.3-176.900113.3M1 E5 A7M1-E3 PolarHBondContact O-N 3.01Å; E3-E5 VanDerWaalsContact C-N 3.35Å; E3-A7 PolarHBondContact O-N 2.84Å; E3-A7 VanDerWaalsContact O-N 3.15Å
4E63.7Low67.6Low111 Ų111132.3 Ų132.352%0.51961%0.613SS.*Hα-helixtrans-75.4-28.5177.2-166.6-174.1154.700111.6M1 Q2 R8M1-E4 PolarHBondContact O-N 2.92Å; Q2-E4 PolarHBondContact O-N 3.11Å; E4-R8 PolarHBondContact O-N 2.98Å; E4-R8 IonicContact OE1-CZ 3.54Å; E4-R8 IonicContact OE1-NH1 2.74Å; E4-R8 PolarHBondContact OE1-NH1 2.75Å; E4-R8 IonicContact OE1-NH2 3.91Å
5E66.6Low67Low138 Ų138129 Ų12965%0.64561%0.606SS**Hα-helixtrans-71.4-41.7173.6-167174.4-176.700111M1 Q2 E3 A7 R8 E9M1-E5 PolarHBondContact O-N 3.38Å; Q2-E5 PolarHBondContact O-N 3.33Å; E3-E5 VanDerWaalsContact C-N 3.35Å; E5-A7 VanDerWaalsContact C-N 3.33Å; E5-A7 PolarHBondContact O-N 3.18Å; E5-R8 PolarHBondContact O-N 3.05Å; E5-E9 WeakPolarHBondContact O-CB 3.46Å; E5-E9 PolarHBondContact O-N 2.97Å
6E72.8Confident66.3Low85 Ų85125.2 Ų125.240%0.39759%0.594SS.*Hα-helixtrans-65.6-34.9177-158.1-173.9143.200112.3Q2 R10Q2-E6 PolarHBondContact O-N 3.16Å; Q2-E6 VanDerWaalsContact O-N 3.17Å; E6-R10 VanDerWaalsContact CD-NH1 3.28Å; E6-R10 WeakPolarHBondContact O-CB 3.41Å; E6-R10 WeakPolarHBondContact O-CG 3.33Å; E6-R10 PolarHBondContact O-N 3.38Å; E6-R10 IonicContact OE1-CZ 3.06Å; E6-R10 IonicContact OE1-NH1 2.7Å; E6-R10 PolarHBondContact OE1-NH1 3.24Å; E6-R10 IonicContact OE1-NH2 2.65Å; E6-R10 PolarHBondContact OE1-NH2 2.81Å
7A76.1Confident65.6Low58 Ų58125.9 Ų125.948%0.47960%0.6SS.*Hα-helixtrans-68.9-37.9174.600000112.3E3 E5 L11E3-A7 PolarHBondContact O-N 2.84Å; E3-A7 VanDerWaalsContact O-N 3.15Å; E5-A7 VanDerWaalsContact C-N 3.33Å; E5-A7 PolarHBondContact O-N 3.18Å; A7-L11 PolarHBondContact O-N 2.84Å; A7-L11 VanDerWaalsContact O-N 3.11Å
8R71.9Confident64.9Low167 Ų167123.9 Ų123.963%0.6361%0.608SS**Hα-helixtrans-69.5-38.4175.2-79-169.8168.1103.84.4111.9E4 E5 L11 R12E4-R8 PolarHBondContact O-N 2.98Å; E4-R8 IonicContact OE1-CZ 3.54Å; E4-R8 IonicContact OE1-NH1 2.74Å; E4-R8 PolarHBondContact OE1-NH1 2.75Å; E4-R8 IonicContact OE1-NH2 3.91Å; E5-R8 PolarHBondContact O-N 3.05Å; R8-L11 PolarHBondContact O-N 3.23Å; R8-R12 WeakPolarHBondContact O-CB 3.5Å; R8-R12 PolarHBondContact O-N 2.91Å
9E74Confident64.3Low113 Ų113122.4 Ų122.453%0.52861%0.611SS.*Hα-helixtrans-65.1-44.9175.6-174.8174.8-156.200111.5E5 L11 R12 N13E5-E9 WeakPolarHBondContact O-CB 3.46Å; E5-E9 PolarHBondContact O-N 2.97Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 3.46Å; E9-R12 PolarHBondContact O-N 3.04Å; E9-N13 WeakPolarHBondContact O-CB 3.34Å; E9-N13 VanDerWaalsContact O-CG 3.27Å; E9-N13 PolarHBondContact O-N 3.38Å; E9-N13 PolarHBondContact O-ND2 3.35Å
10R73Confident63.6Low154 Ų154123.8 Ų123.858%0.58162%0.616SS**Hα-helixtrans-58.8-42.4174-79.2-171.9179.496.79.5112.9E6 N13 Q14E6-R10 VanDerWaalsContact CD-NH1 3.28Å; E6-R10 WeakPolarHBondContact O-CB 3.41Å; E6-R10 WeakPolarHBondContact O-CG 3.33Å; E6-R10 PolarHBondContact O-N 3.38Å; E6-R10 IonicContact OE1-CZ 3.06Å; E6-R10 IonicContact OE1-NH1 2.7Å; E6-R10 PolarHBondContact OE1-NH1 3.24Å; E6-R10 IonicContact OE1-NH2 2.65Å; E6-R10 PolarHBondContact OE1-NH2 2.81Å; R10-N13 PolarHBondContact O-N 3.48Å; R10-Q14 WeakPolarHBondContact O-CB 3.41Å; R10-Q14 PolarHBondContact O-N 2.89Å
11L72.6Confident63.3Low105 Ų105121.8 Ų121.855%0.5561%0.612SS.*Hα-helixtrans-68.2-38.4178.8-173.564.2000111.9A7 R8 E9 Q14 T15A7-L11 PolarHBondContact O-N 2.84Å; A7-L11 VanDerWaalsContact O-N 3.11Å; R8-L11 PolarHBondContact O-N 3.23Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 3.46Å; L11-Q14 PolarHBondContact O-N 2.84Å; L11-T15 WeakPolarHBondContact O-CB 3.48Å; L11-T15 PolarHBondContact O-N 2.94Å; L11-T15 PolarHBondContact O-OG1 3.15Å
12R69.3Low63.7Low175 Ų175115.3 Ų115.366%0.6659%0.587SS**Hα-helixtrans-62.7-47.3174.6-179.3-179.6175-124.6-2.9111.1R8 E9 Q14 T15 T16R8-R12 WeakPolarHBondContact O-CB 3.5Å; R8-R12 PolarHBondContact O-N 2.91Å; E9-R12 PolarHBondContact O-N 3.04Å; R12-Q14 VanDerWaalsContact C-N 3.34Å; R12-Q14 PolarHBondContact O-N 2.77Å; R12-T15 PolarHBondContact O-N 3.22Å; R12-T15 VanDerWaalsContact O-N 3.16Å; R12-T16 PolarHBondContact O-N 3.38Å; R12-T16 PolarHBondContact O-OG1 3.34Å
13N64.6Low63.7Low74 Ų74113.7 Ų113.740%0.39658%0.583SS.*Hα-helixtrans-66.2-35.6179.9-67.5-20000112E9 R10 T16 I17E9-N13 WeakPolarHBondContact O-CB 3.34Å; E9-N13 VanDerWaalsContact O-CG 3.27Å; E9-N13 PolarHBondContact O-N 3.38Å; E9-N13 PolarHBondContact O-ND2 3.35Å; R10-N13 PolarHBondContact O-N 3.48Å; N13-T16 WeakPolarHBondContact CA-OG1 3.44Å; N13-T16 PolarHBondContact O-OG1 3.14Å; N13-I17 VanDerWaalsContact O-CD1 3.29Å; N13-I17 WeakPolarHBondContact O-CD1 3.42Å; N13-I17 VanDerWaalsContact O-CG1 3.31Å; N13-I17 WeakPolarHBondContact O-CG1 3.31Å
14Q63.1Low63.7Low137 Ų137112.7 Ų112.764%0.6458%0.578SS**Hα-helixtrans-67.2-35.5172.4-174.5178.192.300112.5R10 L11 R12R10-Q14 WeakPolarHBondContact O-CB 3.41Å; R10-Q14 PolarHBondContact O-N 2.89Å; L11-Q14 PolarHBondContact O-N 2.84Å; R12-Q14 VanDerWaalsContact C-N 3.34Å; R12-Q14 PolarHBondContact O-N 2.77Å
15T59.8Low64Low83 Ų83111.2 Ų111.251%0.50957%0.574SS.*Hα-helixtrans-74.1-34.7-179.6-56.90000112.3L11 R12 A18 S19L11-T15 WeakPolarHBondContact O-CB 3.48Å; L11-T15 PolarHBondContact O-N 2.94Å; L11-T15 PolarHBondContact O-OG1 3.15Å; R12-T15 PolarHBondContact O-N 3.22Å; R12-T15 VanDerWaalsContact O-N 3.16Å; T15-A18 PolarHBondContact O-N 3.08Å; T15-S19 PolarHBondContact O-N 3.1Å
16T54.6Low64.1Low68 Ų68109.3 Ų109.342%0.41757%0.567SS.*Hα-helixtrans-65-38.1176.529.10000112.7R12 N13 A18 S19 E20R12-T16 PolarHBondContact O-N 3.38Å; R12-T16 PolarHBondContact O-OG1 3.34Å; N13-T16 WeakPolarHBondContact CA-OG1 3.44Å; N13-T16 PolarHBondContact O-OG1 3.14Å; T16-A18 VanDerWaalsContact C-N 3.25Å; T16-A18 PolarHBondContact O-N 3.34Å; T16-S19 PolarHBondContact O-N 3.22Å; T16-E20 PolarHBondContact O-N 3.04Å
17I55.3Low64.1Low137 Ų137108.8 Ų108.870%0.70357%0.567SS**Hα-helixtrans-70.1-24.6179.3-57.4160.3000111.7N13N13-I17 VanDerWaalsContact O-CD1 3.29Å; N13-I17 WeakPolarHBondContact O-CD1 3.42Å; N13-I17 VanDerWaalsContact O-CG1 3.31Å; N13-I17 WeakPolarHBondContact O-CG1 3.31Å
18A53.5Low64Low90 Ų90111.1 Ų111.174%0.74457%0.571SS**THydrogen-bonded Turntrans-87.8-5.3179.500000114.1T15 T16T15-A18 PolarHBondContact O-N 3.08Å; T16-A18 VanDerWaalsContact C-N 3.25Å; T16-A18 PolarHBondContact O-N 3.34Å
19S52.4Low64.2Low95 Ų95107.1 Ų107.166%0.66456%0.562SS**THydrogen-bonded Turntrans-124.41.2-174.1-175.40000113.7T15 T16T15-S19 PolarHBondContact O-N 3.1Å; T16-S19 PolarHBondContact O-N 3.22Å
20E51.2Low64.5Low150 Ų150108.8 Ų108.870%0.70157%0.567SS**SBendtrans-74.1127168.7-75.6-177.4164.100108.4T16 S22T16-E20 PolarHBondContact O-N 3.04Å; E20-S22 PolarHBondContact O-N 3.34Å; E20-S22 VanDerWaalsContact O-N 3.09Å
21P57.2Low64.6Low82 Ų82107.9 Ų107.953%0.53257%0.568SS.*PPolyproline II helixtrans-56.3122.1172.725.1-32.1000107I23 L26P21-I23 PolarHBondContact O-N 3.02Å; P21-L26 HydrophobicContact CB-CD1 3.73Å; P21-L26 HydrophobicContact CG-CD1 3.74Å
22S60.6Low64.7Low72 Ų72108.9 Ų108.950%0.50357%0.57SS.*PPolyproline II helixtrans-52.7141.5179.8178.70000108.8E20 E24 D25 L26E20-S22 PolarHBondContact O-N 3.34Å; E20-S22 VanDerWaalsContact O-N 3.09Å; S22-E24 PolarHBondContact O-N 2.93Å; S22-E24 PolarHBondContact OG-N 3.5Å; S22-D25 WeakPolarHBondContact O-CA 3.41Å; S22-D25 WeakPolarHBondContact O-CB 3.47Å; S22-D25 PolarHBondContact O-N 3.4Å; S22-L26 PolarHBondContact O-N 2.6Å
23I61.7Low65.4Low131 Ų131103.9 Ų103.967%0.67256%0.562SS**Hα-helixtrans-54.5-28.2176-124.3160.7000111.3P21 N27P21-I23 PolarHBondContact O-N 3.02Å; I23-N27 PolarHBondContact O-N 3.11Å; I23-N27 VanDerWaalsContact O-N 3.15Å; I23-N27 PolarHBondContact O-ND2 3.2Å
24E62.8Low66.5Low142 Ų142106.5 Ų106.566%0.66457%0.572SS**Hα-helixtrans-66.1-35.4173.9-134.969.5-15400112.9S22 N27 L28S22-E24 PolarHBondContact O-N 2.93Å; S22-E24 PolarHBondContact OG-N 3.5Å; E24-N27 PolarHBondContact O-N 2.92Å; E24-L28 WeakPolarHBondContact O-CB 3.38Å; E24-L28 PolarHBondContact O-N 3.35Å
25D71.1Confident67.8Low80 Ų80103.9 Ų103.943%0.42857%0.565SS.*Hα-helixtrans-71.6-45.2-179.6-153.335.1000110.3S22 N27 L28 D29S22-D25 WeakPolarHBondContact O-CA 3.41Å; S22-D25 WeakPolarHBondContact O-CB 3.47Å; S22-D25 PolarHBondContact O-N 3.4Å; D25-N27 VanDerWaalsContact C-N 3.26Å; D25-N27 PolarHBondContact O-N 3.39Å; D25-L28 WeakPolarHBondContact O-CB 3.48Å; D25-L28 PolarHBondContact O-N 3.08Å; D25-L28 VanDerWaalsContact O-N 3.11Å; D25-D29 VanDerWaalsContact O-CG 3.32Å; D25-D29 PolarHBondContact O-N 3.03Å
26L68.3Low69.1Low97 Ų97106.4 Ų106.451%0.50857%0.571SS.*Hα-helixtrans-59.8-36.6171.8-102.276.7000112.5P21 S22 K30P21-L26 HydrophobicContact CB-CD1 3.73Å; P21-L26 HydrophobicContact CG-CD1 3.74Å; S22-L26 PolarHBondContact O-N 2.6Å; L26-K30 WeakPolarHBondContact O-CB 3.22Å; L26-K30 PolarHBondContact O-N 3.04Å
27N73.3Confident70.8Confident75 Ų75109 Ų10940%0.40158%0.578SS.*Hα-helixtrans-72.1-33.8176.8-86.6-72.9000112.2I23 E24 D25 K31I23-N27 PolarHBondContact O-N 3.11Å; I23-N27 VanDerWaalsContact O-N 3.15Å; I23-N27 PolarHBondContact O-ND2 3.2Å; E24-N27 PolarHBondContact O-N 2.92Å; D25-N27 VanDerWaalsContact C-N 3.26Å; D25-N27 PolarHBondContact O-N 3.39Å; N27-K31 WeakPolarHBondContact O-CG 3.43Å; N27-K31 PolarHBondContact O-N 3.29Å; N27-K31 VanDerWaalsContact O-N 3.11Å
28L74.1Confident72.5Confident106 Ų106104.8 Ų104.856%0.55556%0.563SS**Hα-helixtrans-66.8-47.6173.8-174.264.8000110.7E24 D25 K30 K31 E32E24-L28 WeakPolarHBondContact O-CB 3.38Å; E24-L28 PolarHBondContact O-N 3.35Å; D25-L28 WeakPolarHBondContact O-CB 3.48Å; D25-L28 PolarHBondContact O-N 3.08Å; D25-L28 VanDerWaalsContact O-N 3.11Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.07Å; L28-K31 PolarHBondContact O-N 2.89Å; L28-K31 VanDerWaalsContact O-N 3.14Å; L28-E32 WeakPolarHBondContact O-CB 3.29Å; L28-E32 PolarHBondContact O-N 2.91Å
29D76.5Confident74.3Confident84 Ų84107.3 Ų107.345%0.44956%0.558SS.*Hα-helixtrans-59.3-40177-69.9-25.6000111.8D25 E32 S33D25-D29 VanDerWaalsContact O-CG 3.32Å; D25-D29 PolarHBondContact O-N 3.03Å; D29-E32 PolarHBondContact O-N 3.41Å; D29-S33 WeakPolarHBondContact O-CB 3.31Å; D29-S33 PolarHBondContact O-N 3.4Å
30K79Confident76.1Confident147 Ų147105.1 Ų105.164%0.63955%0.545SS*.Hα-helixtrans-66.1-41.2176.4-176175.5168.4-1730112.1L26 L28 S33 E34L26-K30 WeakPolarHBondContact O-CB 3.22Å; L26-K30 PolarHBondContact O-N 3.04Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.07Å; K30-S33 PolarHBondContact O-N 3.19Å; K30-E34 PolarHBondContact O-N 3.43Å
31K75.5Confident77.8Confident135 Ų135102.4 Ų102.459%0.58754%0.535SS*.Hα-helixtrans-69.1-35.6175.6-74.4-179.4-177.1162.40111.8N27 L28 E34 V35N27-K31 WeakPolarHBondContact O-CG 3.43Å; N27-K31 PolarHBondContact O-N 3.29Å; N27-K31 VanDerWaalsContact O-N 3.11Å; L28-K31 PolarHBondContact O-N 2.89Å; L28-K31 VanDerWaalsContact O-N 3.14Å; K31-E34 PolarHBondContact O-N 3.35Å; K31-V35 VanDerWaalsContact O-CG2 3.27Å; K31-V35 WeakPolarHBondContact O-CG2 3.46Å; K31-V35 PolarHBondContact O-N 3.25Å; K31-V35 VanDerWaalsContact O-N 3.1Å
32E75.9Confident79.2Confident126 Ų126103.9 Ų103.959%0.58954%0.537SS*.Hα-helixtrans-65.4-43.2173.9-174.1168.8-174.200111.1L28 D29 E34 V35 E36L28-E32 WeakPolarHBondContact O-CB 3.29Å; L28-E32 PolarHBondContact O-N 2.91Å; D29-E32 PolarHBondContact O-N 3.41Å; E32-E34 PolarHBondContact O-N 3Å; E32-V35 PolarHBondContact O-N 3.06Å; E32-E36 PolarHBondContact O-N 3.42Å
33S82.1Confident80.4Confident71 Ų71104.4 Ų104.450%0.49755%0.546SS..Hα-helixtrans-60.8-41174.5-176.30000112.7D29 K30 E36 E37D29-S33 WeakPolarHBondContact O-CB 3.31Å; D29-S33 PolarHBondContact O-N 3.4Å; K30-S33 PolarHBondContact O-N 3.19Å; S33-E36 PolarHBondContact O-N 3.42Å; S33-E37 WeakPolarHBondContact O-CB 3.36Å; S33-E37 PolarHBondContact O-N 3.26Å
34E87.7Confident81.5Confident129 Ų129106.1 Ų106.160%0.60355%0.551SS**Hα-helixtrans-65.4-40.8177.2-175.5-179.1165.400111.7K30 K31 E32 E37 A38K30-E34 PolarHBondContact O-N 3.43Å; K31-E34 PolarHBondContact O-N 3.35Å; E32-E34 PolarHBondContact O-N 3Å; E34-E37 PolarHBondContact O-N 2.74Å; E34-A38 WeakPolarHBondContact O-CB 3.48Å; E34-A38 PolarHBondContact O-N 3.44Å
35V90.4Very high82.6Confident81 Ų81106.8 Ų106.849%0.49155%0.547SS..Hα-helixtrans-66.5-39.6176.9170.30000111.3K31 E32 K39K31-V35 VanDerWaalsContact O-CG2 3.27Å; K31-V35 WeakPolarHBondContact O-CG2 3.46Å; K31-V35 PolarHBondContact O-N 3.25Å; K31-V35 VanDerWaalsContact O-N 3.1Å; E32-V35 PolarHBondContact O-N 3.06Å; V35-K39 WeakPolarHBondContact O-CG 3.2Å; V35-K39 PolarHBondContact O-N 3.13Å
36E88.3Confident83.1Confident137 Ų137109.8 Ų109.864%0.6457%0.574SS**Hα-helixtrans-67-40.8176.7-171.4164.3-149.400111.9E32 S33 K39 A40E32-E36 PolarHBondContact O-N 3.42Å; S33-E36 PolarHBondContact O-N 3.42Å; E36-K39 WeakPolarHBondContact O-CB 3.35Å; E36-K39 PolarHBondContact O-N 3.06Å; E36-A40 PolarHBondContact O-N 3.35Å
37E90.4Very high83.8Confident123 Ų123107.4 Ų107.458%0.57557%0.573SS**Hα-helixtrans-62-47.1174-175179.9175.400111.8S33 E34 K39 A40 I41S33-E37 WeakPolarHBondContact O-CB 3.36Å; S33-E37 PolarHBondContact O-N 3.26Å; E34-E37 PolarHBondContact O-N 2.74Å; E37-K39 VanDerWaalsContact C-N 3.28Å; E37-K39 PolarHBondContact O-N 3.4Å; E37-A40 WeakPolarHBondContact O-CB 3.4Å; E37-A40 PolarHBondContact O-N 2.96Å; E37-A40 VanDerWaalsContact O-N 3.1Å; E37-I41 HydrophobicContact CG-CD1 4.18Å; E37-I41 WeakPolarHBondContact O-CG1 3.21Å; E37-I41 PolarHBondContact O-N 2.65Å
38A90.8Very high84.6Confident47 Ų47108.3 Ų108.339%0.38858%0.578SS.*Hα-helixtrans-59.8-38.817700000111.9E34 I41 I42E34-A38 WeakPolarHBondContact O-CB 3.48Å; E34-A38 PolarHBondContact O-N 3.44Å; A38-I41 PolarHBondContact O-N 2.7Å; A38-I42 VanDerWaalsContact O-CG1 3.26Å; A38-I42 WeakPolarHBondContact O-CG1 2.81Å; A38-I42 PolarHBondContact O-N 3.4Å
39K91.2Very high85.1Confident143 Ų143106.5 Ų106.562%0.62257%0.572SS**Hα-helixtrans-64.6-42.9173.5-78.3175.5179.5174.20112V35 E36 E37 I41 I42 A43V35-K39 WeakPolarHBondContact O-CG 3.2Å; V35-K39 PolarHBondContact O-N 3.13Å; E36-K39 WeakPolarHBondContact O-CB 3.35Å; E36-K39 PolarHBondContact O-N 3.06Å; E37-K39 VanDerWaalsContact C-N 3.28Å; E37-K39 PolarHBondContact O-N 3.4Å; K39-I41 VanDerWaalsContact C-N 3.33Å; K39-I41 PolarHBondContact O-N 3.22Å; K39-I42 PolarHBondContact O-N 3.3Å; K39-A43 VanDerWaalsContact O-CB 3.31Å; K39-A43 WeakPolarHBondContact O-CB 3.32Å; K39-A43 PolarHBondContact O-N 2.92Å
40A90.4Very high85.5Confident49 Ų49111.4 Ų111.441%0.40559%0.585SS.*Hα-helixtrans-61-42.9177.200000111.3E36 E37 A43 Q44E36-A40 PolarHBondContact O-N 3.35Å; E37-A40 WeakPolarHBondContact O-CB 3.4Å; E37-A40 PolarHBondContact O-N 2.96Å; E37-A40 VanDerWaalsContact O-N 3.1Å; A40-A43 PolarHBondContact O-N 3.37Å; A40-Q44 VanDerWaalsContact O-CG 3.3Å; A40-Q44 WeakPolarHBondContact O-CG 3.44Å; A40-Q44 PolarHBondContact O-N 3.22Å
41I87.3Confident86Confident94 Ų94108 Ų10848%0.48257%0.571SS.*Hα-helixtrans-63.1-44.4175.6-65.4168.7000111E37 A38 K39 Q44 R45E37-I41 HydrophobicContact CG-CD1 4.18Å; E37-I41 WeakPolarHBondContact O-CG1 3.21Å; E37-I41 PolarHBondContact O-N 2.65Å; A38-I41 PolarHBondContact O-N 2.7Å; K39-I41 VanDerWaalsContact C-N 3.33Å; K39-I41 PolarHBondContact O-N 3.22Å; I41-Q44 PolarHBondContact O-N 3.49Å; I41-R45 WeakPolarHBondContact O-CG 3.08Å
42I86Confident86.5Confident113 Ų113108 Ų10858%0.57957%0.571SS**Hα-helixtrans-64.9-40.2178.1-68.3165.9000111.3A38 K39 Q44 R45A38-I42 VanDerWaalsContact O-CG1 3.26Å; A38-I42 WeakPolarHBondContact O-CG1 2.81Å; A38-I42 PolarHBondContact O-N 3.4Å; K39-I42 PolarHBondContact O-N 3.3Å; I42-Q44 VanDerWaalsContact C-N 3.33Å; I42-Q44 PolarHBondContact O-N 3.26Å; I42-R45 WeakPolarHBondContact O-CB 3.36Å; I42-R45 PolarHBondContact O-N 3.23Å; I42-R45 VanDerWaalsContact O-N 3.17Å
43A85Confident87.1Confident83 Ų83108.3 Ų108.369%0.68657%0.571SS**Hα-helixtrans-68.9-29.1179.200000113.1K39 A40 R45K39-A43 VanDerWaalsContact O-CB 3.31Å; K39-A43 WeakPolarHBondContact O-CB 3.32Å; K39-A43 PolarHBondContact O-N 2.92Å; A40-A43 PolarHBondContact O-N 3.37Å; A43-R45 PolarHBondContact O-N 2.97Å
44Q86.3Confident87.4Confident166 Ų166110.3 Ų110.378%0.77657%0.571SS**THydrogen-bonded Turntrans-71.6-12.7172.9-74.6176.84.500113.2A40 I41 I42A40-Q44 VanDerWaalsContact O-CG 3.3Å; A40-Q44 WeakPolarHBondContact O-CG 3.44Å; A40-Q44 PolarHBondContact O-N 3.22Å; I41-Q44 PolarHBondContact O-N 3.49Å; I42-Q44 VanDerWaalsContact C-N 3.33Å; I42-Q44 PolarHBondContact O-N 3.26Å
45R86.2Confident87.3Confident157 Ų157110 Ų11059%0.59257%0.57SS**SBendtrans-74.3137.2177.6-54.4179.492.7177.57.7109.7I41 I42 A43 G47I41-R45 WeakPolarHBondContact O-CG 3.08Å; I42-R45 WeakPolarHBondContact O-CB 3.36Å; I42-R45 PolarHBondContact O-N 3.23Å; I42-R45 VanDerWaalsContact O-N 3.17Å; A43-R45 PolarHBondContact O-N 2.97Å; R45-G47 PolarHBondContact O-N 3.36Å
46S79.7Confident87.1Confident142 Ų142111.5 Ų111.599%0.99357%0.569SS**SBendtrans-64.9-4.9-177.555.40000115.4
47G84.1Confident86.8Confident47 Ų47111.3 Ų111.349%0.48557%0.568SS.*SBendtrans173.7161.4175.800000113.1R45 P49R45-G47 PolarHBondContact O-N 3.36Å; G47-P49 WeakPolarHBondContact O-CD 3.42Å
48N88.8Confident86.4Confident94 Ų94113.9 Ų113.950%0.50357%0.573SS.*  trans-68.7120.8175-175.7-29.8000109.1R50 E51 F52N48-R50 PolarHBondContact O-N 2.97Å; N48-R50 VanDerWaalsContact O-N 3.12Å; N48-R50 WeakPolarHBondContact OD1-CB 3.49Å; N48-R50 PolarHBondContact OD1-N 3.01Å; N48-E51 HydrophobicContact CB-CB 4.21Å; N48-E51 HydrophobicContact CB-CG 3.9Å; N48-E51 WeakPolarHBondContact O-CA 3.37Å; N48-E51 WeakPolarHBondContact O-CB 3.27Å; N48-E51 PolarHBondContact O-N 3.44Å; N48-F52 PolarHBondContact O-N 2.94Å
49P84.8Confident85.7Confident68 Ų68114.5 Ų114.544%0.44258%0.578SS.*Hα-helixtrans-58.8-29.2-179.322.7-33000112.3G47 E51 F52 F53G47-P49 WeakPolarHBondContact O-CD 3.42Å; P49-E51 VanDerWaalsContact C-N 3.28Å; P49-E51 PolarHBondContact O-N 2.92Å; P49-F52 WeakPolarHBondContact O-CB 3.44Å; P49-F52 PolarHBondContact O-N 3.4Å; P49-F53 WeakPolarHBondContact O-CD2 3.38Å; P49-F53 PolarHBondContact O-N 3.04Å
50R85.8Confident84.7Confident187 Ų187113.4 Ų113.471%0.70658%0.576SS**Hα-helixtrans-65-33.5174.6-158172.6-175.1-163.31.4112.3N48 F53 K54N48-R50 PolarHBondContact O-N 2.97Å; N48-R50 VanDerWaalsContact O-N 3.12Å; N48-R50 WeakPolarHBondContact OD1-CB 3.49Å; N48-R50 PolarHBondContact OD1-N 3.01Å; R50-F53 PolarHBondContact O-N 3.4Å; R50-K54 PolarHBondContact O-N 3.04Å
51E90.1Very high83.3Confident75 Ų75114.9 Ų114.935%0.3558%0.581SS.*Hα-helixtrans-74.4-29.9175.4-65.8-58.3136.800111.9N48 P49 F53 K54 Q55N48-E51 HydrophobicContact CB-CB 4.21Å; N48-E51 HydrophobicContact CB-CG 3.9Å; N48-E51 WeakPolarHBondContact O-CA 3.37Å; N48-E51 WeakPolarHBondContact O-CB 3.27Å; N48-E51 PolarHBondContact O-N 3.44Å; P49-E51 VanDerWaalsContact C-N 3.28Å; P49-E51 PolarHBondContact O-N 2.92Å; E51-F53 PolarHBondContact O-N 3.15Å; E51-K54 PolarHBondContact O-N 2.79Å; E51-K54 VanDerWaalsContact OE1-CD 3.29Å; E51-K54 WeakPolarHBondContact OE1-CD 3.36Å; E51-K54 IonicContact OE1-NZ 3.55Å; E51-K54 PolarHBondContact OE1-NZ 3.11Å; E51-K54 WeakPolarHBondContact OE2-CD 3.26Å; E51-K54 IonicContact OE2-NZ 2.83Å; E51-Q55 WeakPolarHBondContact O-CB 3.43Å; E51-Q55 VanDerWaalsContact O-CG 3.26Å; E51-Q55 WeakPolarHBondContact O-CG 3.41Å; E51-Q55 PolarHBondContact O-N 3.35Å
52F84.9Confident81.9Confident135 Ų135114.8 Ų114.859%0.59258%0.58SS**Hα-helixtrans-60.2-44.5170.7175.9-96.8000111.8N48 P49 Q55 K56N48-F52 PolarHBondContact O-N 2.94Å; P49-F52 WeakPolarHBondContact O-CB 3.44Å; P49-F52 PolarHBondContact O-N 3.4Å; F52-Q55 PolarHBondContact O-N 3.11Å; F52-K56 WeakPolarHBondContact O-CB 3.46Å; F52-K56 PolarHBondContact O-N 3.45Å
53F88Confident80.5Confident134 Ų134113.5 Ų113.559%0.58858%0.581SS**Hα-helixtrans-64.8-43.1176.6-71.1-74.4000112.3P49 R50 E51 K56 E57P49-F53 WeakPolarHBondContact O-CD2 3.38Å; P49-F53 PolarHBondContact O-N 3.04Å; R50-F53 PolarHBondContact O-N 3.4Å; E51-F53 PolarHBondContact O-N 3.15Å; F53-K56 PolarHBondContact O-N 3.31Å; F53-E57 PolarHBondContact O-N 2.8Å
54K88.9Confident79.1Confident112 Ų112115.1 Ų115.149%0.48758%0.582SS.*Hα-helixtrans-61.8-43.2174.2-76.5170.6153.7-174.10112.6R50 E51 E57 R58R50-K54 PolarHBondContact O-N 3.04Å; E51-K54 PolarHBondContact O-N 2.79Å; E51-K54 VanDerWaalsContact OE1-CD 3.29Å; E51-K54 WeakPolarHBondContact OE1-CD 3.36Å; E51-K54 IonicContact OE1-NZ 3.55Å; E51-K54 PolarHBondContact OE1-NZ 3.11Å; E51-K54 WeakPolarHBondContact OE2-CD 3.26Å; E51-K54 IonicContact OE2-NZ 2.83Å; K54-E57 PolarHBondContact O-N 3.27Å; K54-R58 WeakPolarHBondContact O-CB 3.49Å; K54-R58 PolarHBondContact O-N 3.09Å
55Q86.9Confident77.3Confident124 Ų124113.3 Ų113.358%0.57958%0.578SS**Hα-helixtrans-65.2-39.8177.6-76.6179.931.600111.5E51 F52 R58 A59E51-Q55 WeakPolarHBondContact O-CB 3.43Å; E51-Q55 VanDerWaalsContact O-CG 3.26Å; E51-Q55 WeakPolarHBondContact O-CG 3.41Å; E51-Q55 PolarHBondContact O-N 3.35Å; F52-Q55 PolarHBondContact O-N 3.11Å; Q55-R58 PolarHBondContact O-N 3.44Å; Q55-A59 WeakPolarHBondContact O-CB 3.46Å; Q55-A59 PolarHBondContact O-N 3.47Å
56K84.3Confident75.6Confident111 Ų111111.1 Ų111.148%0.48358%0.582SS.*Hα-helixtrans-60.2-46174.4174.2177.41591800111.5F52 F53 A59 M60F52-K56 WeakPolarHBondContact O-CB 3.46Å; F52-K56 PolarHBondContact O-N 3.45Å; F53-K56 PolarHBondContact O-N 3.31Å; K56-A59 PolarHBondContact O-N 3.48Å; K56-M60 HydrophobicContact CG-SD 3.88Å; K56-M60 WeakPolarHBondContact O-CB 3.35Å; K56-M60 WeakPolarHBondContact O-CG 3.33Å; K56-M60 PolarHBondContact O-N 3.47Å
57E82.9Confident73.9Confident133 Ų133108.1 Ų108.162%0.62156%0.561SS**Hα-helixtrans-62.6-42.8174.6-172.8-175.2164.200111.7F53 K54 M60 T61F53-E57 PolarHBondContact O-N 2.8Å; K54-E57 PolarHBondContact O-N 3.27Å; E57-M60 PolarHBondContact O-N 2.91Å; E57-T61 WeakPolarHBondContact O-CG2 3.26Å; E57-T61 PolarHBondContact O-N 3.25Å; E57-T61 PolarHBondContact O-OG1 3.42Å
58R81.2Confident72.2Confident178 Ų178111.9 Ų111.967%0.67258%0.577SS**Hα-helixtrans-62.4-45.2176.7-150.7-170.3-152.1138.26.6112K54 Q55 T61 I62K54-R58 WeakPolarHBondContact O-CB 3.49Å; K54-R58 PolarHBondContact O-N 3.09Å; Q55-R58 PolarHBondContact O-N 3.44Å; R58-T61 PolarHBondContact O-N 3.4Å; R58-T61 PolarHBondContact O-OG1 3.17Å; R58-I62 HydrophobicContact CB-CD1 4.44Å; R58-I62 HydrophobicContact CG-CD1 3.72Å; R58-I62 HydrophobicContact CG-CG1 4.44Å; R58-I62 WeakPolarHBondContact O-CB 3.39Å; R58-I62 VanDerWaalsContact O-CD1 3.23Å; R58-I62 WeakPolarHBondContact O-CD1 3.16Å; R58-I62 WeakPolarHBondContact O-CG1 3.49Å; R58-I62 PolarHBondContact O-N 3.34Å
59A76.1Confident70.1Confident60 Ų60112.7 Ų112.750%0.49659%0.585SS.*Hα-helixtrans-66.7-40179.100000111.9Q55 K56 T61 S63Q55-A59 WeakPolarHBondContact O-CB 3.46Å; Q55-A59 PolarHBondContact O-N 3.47Å; K56-A59 PolarHBondContact O-N 3.48Å; A59-T61 VanDerWaalsContact C-N 3.31Å; A59-T61 PolarHBondContact O-N 2.95Å; A59-S63 WeakPolarHBondContact O-CB 3.38Å; A59-S63 PolarHBondContact O-N 2.94Å; A59-S63 VanDerWaalsContact O-N 3.09Å
60M70.6Confident68.4Low119 Ų119113.4 Ų113.459%0.58659%0.592SS**Hα-helixtrans-63.8-36.8176.3-71.6174.472.200111.8K56 E57 S63K56-M60 HydrophobicContact CG-SD 3.88Å; K56-M60 WeakPolarHBondContact O-CB 3.35Å; K56-M60 WeakPolarHBondContact O-CG 3.33Å; K56-M60 PolarHBondContact O-N 3.47Å; E57-M60 PolarHBondContact O-N 2.91Å; M60-S63 PolarHBondContact O-OG 3.47Å
61T61Low66.8Low81 Ų81112.2 Ų112.250%0.49760%0.598SS.*Hα-helixtrans-80.2-35.4178.352.50000113.5E57 R58 A59 S63 V64 D65E57-T61 WeakPolarHBondContact O-CG2 3.26Å; E57-T61 PolarHBondContact O-N 3.25Å; E57-T61 PolarHBondContact O-OG1 3.42Å; R58-T61 PolarHBondContact O-N 3.4Å; R58-T61 PolarHBondContact O-OG1 3.17Å; A59-T61 VanDerWaalsContact C-N 3.31Å; A59-T61 PolarHBondContact O-N 2.95Å; T61-S63 VanDerWaalsContact C-N 3.31Å; T61-S63 PolarHBondContact O-N 2.98Å; T61-V64 PolarHBondContact O-N 3.43Å; T61-D65 PolarHBondContact O-N 3.15Å
62I57.9Low64.9Low91 Ų91116.2 Ų116.247%0.46762%0.616SS.*Hα-helixtrans-68.7-29.8175.5-61.2158.8000111.6R58 V64 D65 T66R58-I62 HydrophobicContact CB-CD1 4.44Å; R58-I62 HydrophobicContact CG-CD1 3.72Å; R58-I62 HydrophobicContact CG-CG1 4.44Å; R58-I62 WeakPolarHBondContact O-CB 3.39Å; R58-I62 VanDerWaalsContact O-CD1 3.23Å; R58-I62 WeakPolarHBondContact O-CD1 3.16Å; R58-I62 WeakPolarHBondContact O-CG1 3.49Å; R58-I62 PolarHBondContact O-N 3.34Å; I62-V64 PolarHBondContact O-N 3.24Å; I62-D65 PolarHBondContact O-N 2.69Å; I62-T66 HydrophobicContact CG2-CG2 4.24Å; I62-T66 PolarHBondContact O-N 2.94Å; I62-T66 PolarHBondContact O-OG1 3.04Å
63S56.6Low63.4Low87 Ų87119.9 Ų119.961%0.60863%0.626SS**Hα-helixtrans-68.1-18.6174.7740000113.9A59 M60 T61A59-S63 WeakPolarHBondContact O-CB 3.38Å; A59-S63 PolarHBondContact O-N 2.94Å; A59-S63 VanDerWaalsContact O-N 3.09Å; M60-S63 PolarHBondContact O-OG 3.47Å; T61-S63 VanDerWaalsContact C-N 3.31Å; T61-S63 PolarHBondContact O-N 2.98Å
64V55.3Low61.4Low117 Ų117120.2 Ų120.271%0.70964%0.639SS**Hα-helixtrans-92-24.3177.3167.50000112.3T61 I62T61-V64 PolarHBondContact O-N 3.43Å; I62-V64 PolarHBondContact O-N 3.24Å
65D50Low59.9Low127 Ų127118.5 Ų118.568%0.67965%0.654SS**Hα-helixtrans-1068.6-173.3-151.226.9000114.8T61 I62 S67T61-D65 PolarHBondContact O-N 3.15Å; I62-D65 PolarHBondContact O-N 2.69Å; D65-S67 VanDerWaalsContact C-N 3.33Å
66T50.4Low58.4Low112 Ų112123 Ų12369%0.68767%0.665SS**  trans-94.916.8170.946.50000113.4I62I62-T66 HydrophobicContact CG2-CG2 4.24Å; I62-T66 PolarHBondContact O-N 2.94Å; I62-T66 PolarHBondContact O-OG1 3.04Å
67S42.6Very low57.2Low79 Ų79124 Ų12455%0.55268%0.675SS**SBendtrans-85.7130.2161.9-167.60000108.6D65 V69D65-S67 VanDerWaalsContact C-N 3.33Å; S67-V69 VanDerWaalsContact C-N 3.3Å; S67-V69 PolarHBondContact O-N 2.9Å
68P49.1Very low56.2Low125 Ų125122.3 Ų122.381%0.81267%0.67SS**  trans-65.594.1174.727.9-32.5000108.5S70P68-S70 VanDerWaalsContact C-N 3.28Å; P68-S70 PolarHBondContact O-N 2.92Å
69V45.3Very low55.3Low112 Ų112116.4 Ų116.468%0.67966%0.656SS**  trans-65.497.1169.9169.70000106.9S67 I71S67-V69 VanDerWaalsContact C-N 3.3Å; S67-V69 PolarHBondContact O-N 2.9Å; V69-I71 PolarHBondContact O-N 3.18Å; V69-I71 VanDerWaalsContact O-N 3.11Å
70S48.4Very low54.6Low83 Ų83118.1 Ų118.158%0.5866%0.663SS**  trans-48.1115.5158.7-175.50000108.3P68 H72P68-S70 VanDerWaalsContact C-N 3.28Å; P68-S70 PolarHBondContact O-N 2.92Å; S70-H72 PolarHBondContact O-N 3.09Å; S70-H72 PolarHBondContact OG-CD2 3.48Å; S70-H72 VanDerWaalsContact OG-CD2 3.29Å
71I51.4Low54Low162 Ų162120 Ų12083%0.83167%0.668SS**  trans-66.977.3173.1-56.1164.5000107.6V69V69-I71 PolarHBondContact O-N 3.18Å; V69-I71 VanDerWaalsContact O-N 3.11Å
72H52.1Low53.9Low159 Ų159121 Ų12174%0.73667%0.67SS**  trans-138.885.6171-81.8-57.1000109.6S70S70-H72 PolarHBondContact O-N 3.09Å; S70-H72 PolarHBondContact OG-CD2 3.48Å; S70-H72 VanDerWaalsContact OG-CD2 3.29Å
73R51.5Low53.9Low211 Ų211122.1 Ų122.180%0.79667%0.671SS**  trans-134.784.9155.1-72.3-169.6174.3-140.7-1.1110.1
74T47.3Very low54Low141 Ų141125.7 Ų125.787%0.86568%0.678SS**SBendtrans-74.1121.5130.446.50000106.1R76T74-R76 PolarHBondContact O-N 2.96Å
75G56.9Low54.2Low77 Ų77126.9 Ų126.979%0.79468%0.676SS**SBendtrans-64.9115.6-167.200000113.4
76R55.7Low53.9Low218 Ų218127.7 Ų127.782%0.82368%0.675SS**  trans-150.999.5149.5-152.2176.2177-152.3-2.4109T74 D78T74-R76 PolarHBondContact O-N 2.96Å; R76-D78 PolarHBondContact O-N 3.44Å
77L59.3Low53.8Low132 Ų132128 Ų12869%0.69168%0.682SS**  trans-70.295.8168.4-67.3174000107.3S79L77-S79 PolarHBondContact O-N 3.46Å
78D61.5Low54Low97 Ų97129.5 Ų129.552%0.51969%0.69SS.*  trans-80.568.5178-154.631000109.7R76 K83R76-D78 PolarHBondContact O-N 3.44Å; D78-K83 WeakPolarHBondContact OD1-CE 3.33Å; D78-K83 IonicContact OD1-NZ 3.24Å; D78-K83 PolarHBondContact OD1-NZ 3.06Å; D78-K83 VanDerWaalsContact OD2-CE 3.32Å; D78-K83 WeakPolarHBondContact OD2-CE 3.46Å; D78-K83 IonicContact OD2-NZ 2.69Å; D78-K83 PolarHBondContact OD2-NZ 3.36Å
79S62.3Low53.3Low54 Ų54129.2 Ų129.238%0.37869%0.691SS.*  trans-77.7131.3177.7175.40000110.7L77 F81 L82L77-S79 PolarHBondContact O-N 3.46Å; S79-F81 PolarHBondContact O-N 3.46Å; S79-F81 PolarHBondContact OG-N 3.03Å; S79-L82 PolarHBondContact O-N 3.44Å
80P60.6Low53Low97 Ų97129.3 Ų129.363%0.6370%0.697SS**THydrogen-bonded Turntrans-66.1-19.3179.927.2-34.3000113.4
81F58.5Low53.6Low157 Ų157131.1 Ų131.169%0.68971%0.707SS**THydrogen-bonded Turntrans-75.1-35.1178.9-148.7-100000112.1S79S79-F81 PolarHBondContact O-N 3.46Å; S79-F81 PolarHBondContact OG-N 3.03Å
82L59.8Low52.7Low104 Ų104128.8 Ų128.855%0.54571%0.705SS.*G310 helixtrans-77.7-22.6-179.5-128.473000113S79 Q84 Q85S79-L82 PolarHBondContact O-N 3.44Å; L82-Q84 VanDerWaalsContact C-N 3.27Å; L82-Q84 PolarHBondContact O-N 3.03Å; L82-Q85 PolarHBondContact O-N 3.31Å
83K58Low52.1Low113 Ų113127.5 Ų127.549%0.49171%0.708SS.*G310 helixtrans-66.9-27177.6-72.4176.1175.5171.90112.9D78 Q85D78-K83 WeakPolarHBondContact OD1-CE 3.33Å; D78-K83 IonicContact OD1-NZ 3.24Å; D78-K83 PolarHBondContact OD1-NZ 3.06Å; D78-K83 VanDerWaalsContact OD2-CE 3.32Å; D78-K83 WeakPolarHBondContact OD2-CE 3.46Å; D78-K83 IonicContact OD2-NZ 2.69Å; D78-K83 PolarHBondContact OD2-NZ 3.36Å; K83-Q85 VanDerWaalsContact C-N 3.33Å
84Q58.7Low51.1Low162 Ų162122.3 Ų122.376%0.75771%0.71SS**G310 helixtrans-76.1-20.9-179.3-73.2177.240.400113L82L82-Q84 VanDerWaalsContact C-N 3.27Å; L82-Q84 PolarHBondContact O-N 3.03Å
85Q57.9Low50.6Low142 Ų142122.1 Ų122.166%0.66471%0.709SS**G310 helixtrans-87.5-7.6-178.6-73.5-170-97.100114.8L82 K83L82-Q85 PolarHBondContact O-N 3.31Å; K83-Q85 VanDerWaalsContact C-N 3.33Å
86H43.9Very low50.9Low144 Ų144123.8 Ų123.867%0.66771%0.706SS**  trans-128.969.4-179.8-60-61.2000111.6P88H86-P88 VanDerWaalsContact C-CD 3.43Å
87S48.7Very low50.6Low118 Ų118118.4 Ų118.483%0.82570%0.699SS**  trans-102.997152.6-69.60000109.8
88P46.6Very low49.6Very low112 Ų112121.6 Ų121.673%0.72771%0.711SS**  trans-114.2125.3148.832.8-24.5000109.8H86 S90H86-P88 VanDerWaalsContact C-CD 3.43Å; P88-S90 PolarHBondContact O-N 3.22Å
89S34.6Very low48.2Very low119 Ų119120.3 Ų120.383%0.83272%0.72SS**  trans-57.7114.6171.3-55.10000112.1
90S39.1Very low46.9Very low113 Ų113124.5 Ų124.579%0.7974%0.743SS**  trans53.8178.6143.4-400000119.2P88P88-S90 PolarHBondContact O-N 3.22Å
91P61.7Low45.8Very low122 Ų122125.5 Ų125.579%0.79275%0.752SS**  -122.6142.5-108.831.8-11.1000113.6
92S30.9Very low45.4Very low113 Ų113124.1 Ų124.179%0.7976%0.759SS**  trans-162.5120.7159-137.40000114.4
93T39.7Very low44.5Very low132 Ų132127.4 Ų127.481%0.8178%0.777SS**  trans22.1115.513560000118.7
94A31.4Very low43.6Very low101 Ų101133.6 Ų133.684%0.83580%0.797SS**  171.8130.5120.800000111.4
95T37.9Very low42.8Very low137 Ų137131.5 Ų131.584%0.8480%0.795SS**  trans-82.1-179.3171.8-17.30000111
96P61.4Low42.2Very low112 Ų112130.2 Ų130.273%0.72780%0.799SS**  -107.7-156.4-122.145.6-25.2000111.4
97P51.1Low42.2Very low106 Ų106128.3 Ų128.369%0.68880%0.8SS**  -154.7169.754.938-12.9000119
98Q37.6Very low41.6Very low199 Ų199132.3 Ų132.393%0.9381%0.805SS**  trans31.2135.5140.5-61.8-171.9-15.100122.3
99G31.5Very low41.2Very low70 Ų70131.6 Ų131.672%0.72281%0.809SS**  trans178.282.8158.300000116.1
100V35.1Very low41.2Very low141 Ų141137.4 Ų137.486%0.85581%0.812SS**  trans18.3127.3145.3-62.80000121.2
101S38.7Very low40.9Very low118 Ų118141.7 Ų141.783%0.82582%0.817SS**  trans-57157.3156.3-64.80000112.1
102P48.9Very low39.7Very low128 Ų128144.4 Ų144.483%0.83182%0.819SS**  -139.3145.6119.733.9-18.9000115
103L42.3Very low40.5Very low174 Ų174144.2 Ų144.291%0.91182%0.815SS**  trans-70.9127.1167.1-165.680.5000110.3
104R37.1Very low39.9Very low242 Ų242143.8 Ų143.891%0.91382%0.817SS**  trans-164.7144.5150.8-147.4165.4172.3164.8-3.5113.8
105T41.8Very low40Very low119 Ų119143.3 Ų143.373%0.7381%0.814SS**  trans-61.9163.7-168.1500000119
106P45.8Very low39.8Very low114 Ų114141.4 Ų141.474%0.7481%0.812SS**  trans-76.4-175167.738.5-36.9000110.3
107P45.1Very low38.8Very low105 Ų105140.7 Ų140.768%0.68282%0.815SS**  cis-140.7162.917.241.3-22.5000116.1
108H36Very low38.4Very low202 Ų202143 Ų14394%0.93582%0.822SS**  trans-156.3119.3152.6-88.4-56.6000112.4
109A37.2Very low38.6Very low97 Ų97140 Ų14080%0.80281%0.812SS**  trans-80.6135.816800000111
110R34.8Very low39.3Very low240 Ų240143.1 Ų143.191%0.90681%0.812SS**  trans-164.2121.4151.6-164.2159.8-104.7135.3-5.8114
111K32.9Very low39.8Very low203 Ų203143.9 Ų143.988%0.88381%0.811SS**  trans-5.8135.4161.5-61.2178.7176.9-174.50121.2
112Q36.3Very low40.3Very low179 Ų179145.2 Ų145.284%0.83681%0.809SS**  trans-46.5-179.2160-61.3-77.3-3400115.7
113P47.6Very low40.3Very low110 Ų110147 Ų14771%0.71481%0.806SS**  cis-131.6174.1-23.530.4-10000113.2
114S28.5Very low40.4Very low122 Ų122144.4 Ų144.485%0.85380%0.797SS**  trans175.7139.9136.5-176.30000112.7
115A32.2Very low40.9Very low92 Ų92138.5 Ų138.576%0.7679%0.794SS**  trans-60150.2-177.300000116.6
116A33Very low41Very low97 Ų97139.1 Ų139.180%0.80279%0.791SS**  -168.7122.5124.600000111
117A41.7Very low41Very low96 Ų96141.7 Ų141.779%0.79379%0.793SS**  trans45.2110.7141.400000121
118D42.3Very low41.2Very low156 Ų156145.9 Ų145.983%0.83480%0.795SS**  -171.4101.9127.7-106.2-15000104.6
119D42.8Very low41.7Very low134 Ų134143 Ų14372%0.71779%0.786SS**  40.397.187.6-153.234.8000112.3
120N45.3Very low42.2Very low136 Ų136144 Ų14473%0.72778%0.776SS**  trans176.3110.9130.4-92.1-68.4000108.1D122N120-D122 PolarHBondContact O-N 3.43Å
121D46.4Very low42.6Very low157 Ų157136.9 Ų136.984%0.8477%0.769SS**  trans-59.5116.6156.4-76.6-56.5000108.5
122D47.6Very low43.1Very low146 Ų146131.7 Ų131.778%0.78176%0.764SS**  trans-14794.2157-97.1-45.8000108.8N120N120-D122 PolarHBondContact O-N 3.43Å
123E48.7Very low43.9Very low166 Ų166130.5 Ų130.578%0.77676%0.762SS**  trans36.1113.8138.2-67.1-67.311100117.9S125E123-S125 VanDerWaalsContact C-N 3.35Å; E123-S125 PolarHBondContact O-N 2.87Å
124V45.9Very low43.9Very low119 Ų119129.7 Ų129.772%0.72176%0.759SS**  trans-50.392.2162.288.20000110.1I126V124-I126 HydrophobicContact CB-CG1 4.33Å; V124-I126 HydrophobicContact CG1-CD1 3.96Å; V124-I126 HydrophobicContact CG1-CG1 4.07Å; V124-I126 HydrophobicContact CG2-CD1 3.9Å; V124-I126 HydrophobicContact CG2-CG1 3.65Å; V124-I126 PolarHBondContact O-N 3.12Å
125S46.6Very low44.9Very low119 Ų119130 Ų13083%0.83276%0.757SS**  trans-77.570162.2-85.70000108.3E123 E127E123-S125 VanDerWaalsContact C-N 3.35Å; E123-S125 PolarHBondContact O-N 2.87Å; S125-E127 PolarHBondContact O-N 3.1Å
126I45.2Very low46.2Very low132 Ų132132.1 Ų132.168%0.67775%0.754SS**  trans-65.895.4156.4-55.7169.9000103.8V124 R128V124-I126 HydrophobicContact CB-CG1 4.33Å; V124-I126 HydrophobicContact CG1-CD1 3.96Å; V124-I126 HydrophobicContact CG1-CG1 4.07Å; V124-I126 HydrophobicContact CG2-CD1 3.9Å; V124-I126 HydrophobicContact CG2-CG1 3.65Å; V124-I126 PolarHBondContact O-N 3.12Å; I126-R128 VanDerWaalsContact C-N 3.29Å; I126-R128 PolarHBondContact O-N 3.28Å
127E45.9Very low46.9Very low167 Ų167132.6 Ų132.678%0.7875%0.749SS**  trans-47.7100.4170.3175.6178.1144.100108.3S125 N129S125-E127 PolarHBondContact O-N 3.1Å; E127-N129 PolarHBondContact O-N 3.39Å
128R48.1Very low47.5Very low194 Ų194137.6 Ų137.673%0.73275%0.753SS**  trans-6984.9176.3-157-159.4171.780.9-6.2105.7I126 M130I126-R128 VanDerWaalsContact C-N 3.29Å; I126-R128 PolarHBondContact O-N 3.28Å; R128-M130 HydrophobicContact CB-CG 4.33Å; R128-M130 HydrophobicContact CG-CE 4.07Å; R128-M130 HydrophobicContact CG-CG 3.51Å; R128-M130 PolarHBondContact O-N 2.88Å
129N45.8Very low48.5Very low140 Ų140137.2 Ų137.275%0.74975%0.75SS**  trans-6193.3164.8-171.5-68.1000107.2E127E127-N129 PolarHBondContact O-N 3.39Å
130M48.8Very low48.6Very low119 Ų119137.3 Ų137.359%0.58676%0.755SS**  trans-118.1126.9178.5-76.7-70.3-157.500108.5R128R128-M130 HydrophobicContact CB-CG 4.33Å; R128-M130 HydrophobicContact CG-CE 4.07Å; R128-M130 HydrophobicContact CG-CG 3.51Å; R128-M130 PolarHBondContact O-N 2.88Å
131A43.6Very low48.5Very low91 Ų91136.3 Ų136.375%0.75275%0.754SS**  trans82.9120.917600000114.3
132A42.6Very low48.6Very low94 Ų94133.8 Ų133.878%0.77774%0.744SS**  cis-132.9111.939.200000112.8S134A132-S134 PolarHBondContact O-N 2.83Å
133I53Low48.4Very low154 Ų154132.9 Ų132.979%0.7975%0.746SS**  trans-84.6103.8161.9-54171000105.4
134S47.1Very low48.3Very low93 Ų93131.5 Ų131.565%0.6574%0.743SS**PPolyproline II helixtrans-55.5142.6169-61.60000109.5A132 I136A132-S134 PolarHBondContact O-N 2.83Å; S134-I136 PolarHBondContact O-N 3.14Å
135P51.4Low48.1Very low127 Ų127134.5 Ų134.583%0.82575%0.746SS**PPolyproline II helixtrans-58.7116179.1-19.230.2000109.9P137P135-P137 WeakPolarHBondContact O-CD 3.14Å
136I57.8Low47.8Very low137 Ų137135.5 Ų135.570%0.70374%0.738SS**PPolyproline II helixtrans-64.8123.1173.9-61.7167.7000107S134 K138S134-I136 PolarHBondContact O-N 3.14Å; I136-K138 PolarHBondContact O-N 3.35Å
137P48.7Very low47.6Very low107 Ų107135.1 Ų135.170%0.69574%0.737SS**PPolyproline II helixtrans-60.8128.6175.123.5-30.7000109.1P135 I139P135-P137 WeakPolarHBondContact O-CD 3.14Å; P137-I139 PolarHBondContact O-N 3.39Å
138K54.3Low47Very low202 Ų202135.3 Ų135.388%0.87874%0.736SS**  trans-68.996.4179-60.8-176.677.7172.90108.6I136 V140I136-K138 PolarHBondContact O-N 3.35Å; K138-V140 PolarHBondContact O-N 2.9Å
139I62.3Low46.6Very low148 Ų148133.2 Ų133.276%0.75974%0.739SS**  trans-68.3119.8165.414.4172.4000107.8P137 T141P137-I139 PolarHBondContact O-N 3.39Å; I139-T141 PolarHBondContact O-N 3.31Å
140V45.7Very low46.8Very low135 Ų135137.6 Ų137.682%0.81875%0.745SS**  trans-77.195.4166.71750000106K138 T142K138-V140 PolarHBondContact O-N 2.9Å; V140-T142 PolarHBondContact O-N 3.48Å
141T43.9Very low46.6Very low116 Ų116140.8 Ų140.871%0.71276%0.758SS**  trans-83.4103173.1-43.70000107.8I139I139-T141 PolarHBondContact O-N 3.31Å
142T47.2Very low46.5Very low104 Ų104143.6 Ų143.664%0.63876%0.756SS**  trans-64.7135.4158.947.30000108.1V140 I144V140-T142 PolarHBondContact O-N 3.48Å; T142-I144 PolarHBondContact O-N 3.34Å; T142-I144 VanDerWaalsContact O-N 3.08Å
143P44.3Very low46.4Very low126 Ų126148.8 Ų148.882%0.81876%0.764SS**  trans-62.9115179.224.7-31.3000109.6
144I45.4Very low46Very low138 Ų138146.2 Ų146.271%0.70875%0.752SS**  trans-73124164.4-94.9167.6000106.3T142 E146T142-I144 PolarHBondContact O-N 3.34Å; T142-I144 VanDerWaalsContact O-N 3.08Å; I144-E146 HydrophobicContact CG2-CG 3.99Å; I144-E146 PolarHBondContact O-N 3.04Å
145K43.3Very low45.4Very low182 Ų182149.2 Ų149.279%0.79176%0.755SS**  trans-69.898.5171.6-136.7174.4-178.4177.40106.2D147K145-D147 PolarHBondContact O-N 3Å
146E40.2Very low44.9Very low140 Ų140151 Ų15165%0.65475%0.746SS**  trans-7892.8168.3-70.3165.7171.200106.5I144 F148I144-E146 HydrophobicContact CG2-CG 3.99Å; I144-E146 PolarHBondContact O-N 3.04Å; E146-F148 HydrophobicContact CB-CD2 3.87Å; E146-F148 HydrophobicContact CB-CE2 3.52Å; E146-F148 HydrophobicContact CB-CZ 4.36Å; E146-F148 HydrophobicContact CG-CE2 4.39Å; E146-F148 WeakPolarHBondContact O-CD2 3.39Å; E146-F148 PolarHBondContact O-N 3.16Å
147D40.3Very low44.2Very low123 Ų123151.9 Ų151.966%0.65875%0.747SS**  trans-70.182172.4-67.8-39.1000108.8K145 N149K145-D147 PolarHBondContact O-N 3Å; D147-N149 PolarHBondContact O-N 3.34Å
148F33.2Very low43.8Very low172 Ų172154.8 Ų154.875%0.75476%0.757SS**  trans-70.872.6164-69.7-82.7000109.4E146 R150E146-F148 HydrophobicContact CB-CD2 3.87Å; E146-F148 HydrophobicContact CB-CE2 3.52Å; E146-F148 HydrophobicContact CB-CZ 4.36Å; E146-F148 HydrophobicContact CG-CE2 4.39Å; E146-F148 WeakPolarHBondContact O-CD2 3.39Å; E146-F148 PolarHBondContact O-N 3.16Å; F148-R150 PolarHBondContact O-N 2.97Å
149N40.2Very low43Very low150 Ų150153.9 Ų153.980%0.80276%0.755SS**  trans-80.388.1163.5-97.5-78.4000108.4D147D147-N149 PolarHBondContact O-N 3.34Å
150R49.1Very low41.8Very low231 Ų231159.1 Ų159.187%0.87277%0.766SS**  trans-134.339.4170.5-159.9-152.5173.5171.1-2.2112.3F148F148-R150 PolarHBondContact O-N 2.97Å
151E44.4Very low41.5Very low186 Ų186160.2 Ų160.287%0.86977%0.767SS**  trans-157.869.1178.1-54.5-178.5-14500112
152E41.9Very low41.1Very low150 Ų150160 Ų16070%0.70177%0.771SS**  trans-161.154.1156-144.2165.9-165.100112.4D154 H155E152-D154 VanDerWaalsContact C-N 3.31Å; E152-H155 IonicContact OE1-CD2 3.1Å; E152-H155 PolarHBondContact OE1-CD2 3.11Å; E152-H155 IonicContact OE1-NE2 3.14Å; E152-H155 PolarHBondContact OE1-NE2 3.43Å; E152-H155 VanDerWaalsContact OE1-NE2 3.14Å
153E41.7Very low40.6Very low203 Ų203161.1 Ų161.195%0.94978%0.777SS**  trans-98.359.4162.8-162172.8-148.700108
154D43.2Very low40.2Very low101 Ų101160.7 Ų160.754%0.5477%0.774SS.*  trans-158.452.3169-151.54000112.5E152 R156E152-D154 VanDerWaalsContact C-N 3.31Å; D154-R156 IonicContact OD1-NH1 3.35Å; D154-R156 PolarHBondContact OD1-NH1 2.9Å
155H35.1Very low39.7Very low155 Ų155163.4 Ų163.472%0.71878%0.78SS**  trans-125.471.8161.7-76.4-56.2000110.9E152E152-H155 IonicContact OE1-CD2 3.1Å; E152-H155 PolarHBondContact OE1-CD2 3.11Å; E152-H155 IonicContact OE1-NE2 3.14Å; E152-H155 PolarHBondContact OE1-NE2 3.43Å; E152-H155 VanDerWaalsContact OE1-NE2 3.14Å
156R41.3Very low39.4Very low166 Ų166164.1 Ų164.163%0.62679%0.787SS**  trans10.9115.7132.5-80.2-154.7-84.1-76.8-1.5119D154D154-R156 IonicContact OD1-NH1 3.35Å; D154-R156 PolarHBondContact OD1-NH1 2.9Å
157E43.3Very low39.1Very low155 Ų155165.8 Ų165.872%0.72479%0.794SS**  36.388.2121.249.1-171.4151.300117.1
158D39.4Very low38.7Very low168 Ų168167.1 Ų167.190%0.89880%0.797SS**  trans-173.853.7155-91.1-36.8000112.9
159E38.1Very low38.6Very low183 Ų183167.1 Ų167.186%0.85580%0.797SS**  trans-158.450.5166.8-151.7168.7173.800114.6
160W37.7Very low38.3Very low258 Ų258170.6 Ų170.698%0.97780%0.798SS**  trans-119.432.2173-75.487.3000113.5
161D38.3Very low37.7Very low157 Ų157165.4 Ų165.484%0.8479%0.794SS**  trans-115.266.8169.8-16018.8000111.1
162S35.6Very low37Very low113 Ų113161.7 Ų161.779%0.7978%0.784SS**  trans-158.484.8161.7-83.90000110.4P164S162-P164 WeakPolarHBondContact O-CD 3.45Å
163V36.9Very low36.4Very low127 Ų127164.3 Ų164.377%0.7780%0.796SS**PPolyproline II helixtrans-85.8120.9163.31730000108.9
164P35.1Very low35.9Very low116 Ų116163.1 Ų163.175%0.75379%0.791SS**PPolyproline II helixtrans-87.8117.4153-6.525.6000109.1S162 E166S162-P164 WeakPolarHBondContact O-CD 3.45Å; P164-E166 PolarHBondContact O-N 3.21Å
165K35.7Very low35.6Very low195 Ų195163.5 Ų163.585%0.84880%0.801SS**PPolyproline II helixtrans-60.9123164.1-70.7169.8175.3170.40109.2
166E36.4Very low35.3Very low198 Ų198162.1 Ų162.193%0.92580%0.804SS**  trans-122.1118153.8-77.8-161.816000110.8P164P164-E166 PolarHBondContact O-N 3.21Å
167E33.8Very low34.9Very low174 Ų174159.2 Ų159.281%0.81381%0.809SS**  trans-100.1148.1178.5-154.9-172.4142.900108.2
168Q32.3Very low34.4Very low151 Ų151158.2 Ų158.271%0.70681%0.814SS**  trans83.8131.1168.9-63.9-173-2500116.8
169K30.8Very low34.4Very low173 Ų173159.4 Ų159.475%0.75281%0.811SS**  cis-165.9135.617.4-120.3163.6-177.2167.80108.6
170R34.3Very low34.7Very low223 Ų223156.6 Ų156.684%0.84281%0.809SS**  trans-71.4155.5160.7-89.3-171.1-170172.74.1111.1
171P36.3Very low34.7Very low121 Ų121150.6 Ų150.679%0.78680%0.8SS**  -131.2119.499.421.9-3.8000111.7
172V28.9Very low34.8Very low109 Ų109151.9 Ų151.966%0.66180%0.801SS**  54.596.3104.4-173.20000113.6
173Q30.5Very low35Very low204 Ų204151.9 Ų151.995%0.95380%0.801SS**  -140.9118.7123.5-84.2-149.4-38.100110.1
174E30.3Very low35Very low178 Ų178151.5 Ų151.583%0.83280%0.799SS**  trans-95129174.4179-176-177.900106.9
175S36.7Very low35.2Very low109 Ų109149.5 Ų149.576%0.76279%0.793SS**  trans-169.3100152.2-96.70000112.6
176T30.6Very low35.3Very low126 Ų126146.7 Ų146.777%0.77379%0.794SS**  trans59.4104.9131.263.40000121.3
177S32.8Very low35.1Very low105 Ų105145.8 Ų145.873%0.73479%0.79SS**  15.9116.4122.11750000118.1
178T32.1Very low35.4Very low134 Ų134142.4 Ų142.482%0.82279%0.792SS**  -172.3130.4116-2.40000111.5
179K39.8Very low35.6Very low193 Ų193146.3 Ų146.384%0.83980%0.8SS**  trans-65.2153.4155-69.6176.9174.7177.10108.4
180P43Very low36Very low125 Ų125145.9 Ų145.981%0.81280%0.8SS**  -141.1158.598.734.1-18.2000115.1
181V39.1Very low36.2Very low131 Ų131140.7 Ų140.779%0.79480%0.796SS**  trans-52.2132.5170.1177.10000111.8
182Q40.8Very low36.3Very low184 Ų184140.6 Ų140.686%0.8680%0.798SS**  trans-155.5105.5143.5-118.9179.811.200111.9
183S38.9Very low36.8Very low113 Ų113138.8 Ų138.879%0.7980%0.801SS**  trans-68.9125.1159.91770000109.2
184V36.9Very low37.1Very low119 Ų119135.4 Ų135.472%0.72180%0.795SS**  trans-147.7124.6158.6-175.50000108.7
185A38.6Very low38.2Very low75 Ų75132.7 Ų132.762%0.6280%0.795SS**  trans-56.7154.1174.400000113.3Q187A185-Q187 PolarHBondContact O-N 3.25Å
186P37.7Very low38.5Very low135 Ų135131.4 Ų131.488%0.87779%0.791SS**  trans-71.5109.1175.629.1-30.3000109.3
187Q32.4Very low39.1Very low179 Ų179137.6 Ų137.684%0.83680%0.8SS**  trans-68.5128.9167.5-73.5-140.4-28.200110.1A185 R189A185-Q187 PolarHBondContact O-N 3.25Å; Q187-R189 PolarHBondContact O-N 3.33Å
188A40.7Very low39.6Very low103 Ų103139.8 Ų139.885%0.85180%0.804SS**  trans-52.5118.3166.600000110.1
189R35.9Very low40.2Very low233 Ų233138.7 Ų138.788%0.87980%0.802SS**  trans-109.7104.7166.9-173.1166.5-172.7147.90.3107.8Q187 P191Q187-R189 PolarHBondContact O-N 3.33Å; R189-P191 VanDerWaalsContact O-CD 3.27Å; R189-P191 WeakPolarHBondContact O-CD 3.31Å
190E40.8Very low40.7Very low164 Ų164132.1 Ų132.177%0.76679%0.788SS**  trans-54.3134.3156.5-70.5-76160.400109.5
191P38.1Very low40.9Very low115 Ų115131.7 Ų131.775%0.74778%0.784SS**  trans-124.6117.913733.9-23.9000109.9R189 G193R189-P191 VanDerWaalsContact O-CD 3.27Å; R189-P191 WeakPolarHBondContact O-CD 3.31Å; P191-G193 PolarHBondContact O-N 3.3Å
192S38.8Very low41.5Very low118 Ų118129.9 Ų129.983%0.82577%0.769SS**  trans-58.7127165.4-52.20000110.9
193G38.4Very low42.2Very low71 Ų71126.1 Ų126.173%0.73276%0.755SS**  trans99.287.9143.900000116.5P191P191-G193 PolarHBondContact O-N 3.3Å
194V37.6Very low43.1Very low134 Ų134127 Ų12781%0.81275%0.75SS**  -179.6110.3116.350.30000109.9A196V194-A196 PolarHBondContact O-N 2.77Å
195S51.7Low44.3Very low121 Ų121126.3 Ų126.385%0.84675%0.746SS**  trans-56.6115.8168.845.80000111.8
196A44.8Very low45.5Very low81 Ų81127.4 Ų127.467%0.66974%0.742SS**  trans-147.1-4.6171.500000115.7V194V194-A196 PolarHBondContact O-N 2.77Å
197W42.9Very low46.4Very low257 Ų257127 Ų12797%0.97373%0.732SS**SBendtrans-125.120.1-176-69.4-28.3000115.9
198D42.6Very low47.6Very low150 Ų150129.3 Ų129.380%0.80273%0.733SS**SBendtrans-120.334.2176.4-149.139.5000112.6
199S45.8Very low48.1Very low112 Ų112130.8 Ų130.878%0.78373%0.726SS**SBendtrans-145.460.7176.6-67.80000111.1
200G48.7Very low48.6Very low54 Ų54123.8 Ų123.856%0.55771%0.713SS**SBendtrans-150.58.4176.300000115
201T46.9Very low49.1Very low116 Ų116121.6 Ų121.671%0.71272%0.716SS**SBendtrans-118-10.9-176.557.40000113.4
202D52.4Low49.7Very low93 Ų93121.2 Ų121.250%0.49772%0.716SS.*SBendtrans-81.9-21.5177.662.4-49.9000113.2
203N56.6Low49.8Very low106 Ų106119.6 Ų119.657%0.56771%0.71SS**Hα-helixtrans-87.3-9.3-173.3-75.3-87.6000115.1
204L57.5Low49.9Very low130 Ų130122.1 Ų122.168%0.68171%0.713SS**Hα-helixtrans-85-28.3-178.5-87.7162.8000113.2
205V62.5Low49.8Very low105 Ų105121.9 Ų121.964%0.63671%0.712SS**Hα-helixtrans-77.9-39.7178.2-174.50000110.3L207 W208V205-L207 VanDerWaalsContact C-N 3.28Å; V205-L207 PolarHBondContact O-N 3.22Å; V205-W208 PolarHBondContact O-N 2.93Å
206D62Low49.4Very low98 Ų98122.7 Ų122.752%0.52471%0.712SS.*Hα-helixtrans-68.4-24177.9-73.1-11000113.4S210D206-S210 WeakPolarHBondContact O-CB 3.39Å; D206-S210 PolarHBondContact O-N 2.86Å; D206-S210 PolarHBondContact O-OG 2.99Å
207L58.3Low49.1Very low127 Ų127125.2 Ų125.267%0.66571%0.714SS**Hα-helixtrans-71.5-29177.3-174.961.6000112.7V205V205-L207 VanDerWaalsContact C-N 3.28Å; V205-L207 PolarHBondContact O-N 3.22Å
208W57.7Low49Very low228 Ų228119 Ų11986%0.86471%0.706SS**Hα-helixtrans-78.4-32.7176.6-174.5-80000112.1V205V205-W208 PolarHBondContact O-N 2.93Å
209D49.6Very low48.6Very low133 Ų133119.2 Ų119.271%0.71171%0.706SS**Hα-helixtrans-81-19178.4-96.6-8.5000113.7S211D209-S211 VanDerWaalsContact C-N 3.34Å; D209-S211 PolarHBondContact O-N 3.02Å
210S46.9Very low48.5Very low87 Ų87119.7 Ų119.761%0.60871%0.707SS**THydrogen-bonded Turntrans-87.711.4-174.2-62.20000115.3D206 S212D206-S210 WeakPolarHBondContact O-CB 3.39Å; D206-S210 PolarHBondContact O-N 2.86Å; D206-S210 PolarHBondContact O-OG 2.99Å; S210-S212 PolarHBondContact O-N 2.74Å
211S50.9Low47.6Very low118 Ų118121.9 Ų121.983%0.82571%0.713SS**  trans-80.457.7171.7-159.30000111.4D209D209-S211 VanDerWaalsContact C-N 3.34Å; D209-S211 PolarHBondContact O-N 3.02Å
212S51.1Low47Very low107 Ų107121.6 Ų121.675%0.74871%0.712SS**SBendtrans-166.2113161.4170.90000110S210S210-S212 PolarHBondContact O-N 2.74Å
213A41.6Very low46Very low84 Ų84126.1 Ų126.169%0.69473%0.729SS**SBendtrans100.5138.1167.200000117.3
214P40.2Very low45.2Very low123 Ų123125.7 Ų125.780%0.79974%0.735SS**  trans-77130.4-17631.4-33000111.8V216P214-V216 PolarHBondContact O-N 2.89Å
215T35.3Very low44.4Very low130 Ų130123.9 Ų123.980%0.79873%0.733SS**  trans-69.1115.8178-52.70000112
216V42.5Very low43.3Very low137 Ų137126 Ų12683%0.8374%0.741SS**  trans-105.3121.3159.8174.10000107.9P214P214-V216 PolarHBondContact O-N 2.89Å
217N39.2Very low42.5Very low134 Ų134129.8 Ų129.872%0.71776%0.76SS**PPolyproline II helixtrans-53.7142.6-179.6-73-32.1000113.2
218P39.9Very low42.5Very low126 Ų126130.2 Ų130.282%0.81877%0.768SS**PPolyproline II helixtrans-86119.1172.533-28.4000110.5
219I35.9Very low41.9Very low155 Ų155126.4 Ų126.480%0.79576%0.764SS**PPolyproline II helixtrans-93.1131.3161.6-63.2168.2000106.9S221I219-S221 PolarHBondContact O-N 3.06Å
220P43.4Very low41.9Very low122 Ų122128.6 Ų128.679%0.79278%0.775SS**  trans-84109.9177.732.7-28.8000109.2
221S29.8Very low41.8Very low100 Ų100133.2 Ų133.270%0.69979%0.789SS**  trans-160.7121.2150.1-133.40000111.8I219I219-S221 PolarHBondContact O-N 3.06Å
222T33.9Very low41.1Very low111 Ų111131.4 Ų131.468%0.68179%0.789SS**  30.4108.4126.6-20.70000115.3
223H31.6Very low40.8Very low187 Ų187134.4 Ų134.487%0.86680%0.797SS**  -174.6137.3125-85.9-59.8000110
224S38.9Very low40.7Very low98 Ų98133.8 Ų133.869%0.68580%0.798SS**  trans-62.3159.8-179.750.10000114.6
225S41.8Very low40.7Very low91 Ų91135.1 Ų135.164%0.63680%0.799SS**  trans63.6116.2147.558.20000118.3
226N38Very low40.9Very low150 Ų150134.8 Ų134.880%0.80280%0.796SS**  161.195.6127.8-75.8-33.2000110.6
227L46.9Very low40.9Very low177 Ų177135.6 Ų135.693%0.92780%0.795SS**  trans-129.352.3169.6-75.3-178.3000111.6
228V58Low41Very low137 Ų137138.3 Ų138.383%0.8380%0.803SS**  trans-144.480.5168.5-82.80000109.5
229D44.7Very low40.7Very low147 Ų147138.5 Ų138.579%0.78680%0.797SS**  trans-162.195.3148.1-139.71.8000111.6
230L49.7Very low40.7Very low179 Ų179137.4 Ų137.494%0.93779%0.793SS**  trans-148.464.4165.6-93.9127.3000108
231M45.1Very low40.5Very low184 Ų184137.8 Ų137.891%0.90679%0.793SS**  trans-150.1105.5150.1-75.4-138.3-50.300109
232G36.3Very low41.2Very low80 Ų80138.3 Ų138.383%0.82579%0.794SS**  trans-16478.2176.100000110.6
233D44.2Very low41.5Very low171 Ų171138.8 Ų138.891%0.91480%0.799SS**  trans-63144.8163.4-175.328.2000110
234G38.4Very low41.5Very low70 Ų70135.7 Ų135.772%0.72280%0.798SS**  trans17671.3-173.800000114.5
235D41.5Very low41.4Very low152 Ų152139.3 Ų139.381%0.81381%0.808SS**  trans-54.3142155.7-162.44.7000110.3
236V39.7Very low40.9Very low122 Ų122139.6 Ų139.674%0.73982%0.816SS**  trans152.7105.1157.3165.90000111.8
237L42.1Very low40.8Very low154 Ų154137.5 Ų137.581%0.80682%0.819SS**  trans44.1108.8139.2-63.9162.6000120.2
238H40.8Very low40Very low192 Ų192132.6 Ų132.689%0.88981%0.812SS**  -149.8128.6127.6-144.9-77.8000111.9
239D34.6Very low39.3Very low129 Ų129132.5 Ų132.569%0.6982%0.817SS**  trans-81.7167.1-177-147.6-83.8000111.9
240D34.8Very low38.9Very low133 Ų133128.5 Ų128.571%0.71181%0.81SS**  trans99.593163.8-69.6-63000122.8
241V38.7Very low38.6Very low130 Ų130131 Ų13179%0.78881%0.807SS**  trans95.1139.3131.1-178.60000119.3
242P45.9Very low38.6Very low111 Ų111128.4 Ų128.472%0.72181%0.805SS**  -119.4-176.2-103.236.5-12.3000115
243P40.1Very low39.3Very low121 Ų121131.3 Ų131.379%0.78680%0.797SS**  -146.4151.4102.435.9-18.7000116.7
244S32.2Very low39.8Very low122 Ų122128.9 Ų128.985%0.85379%0.79SS**  trans53.8114.4152.8-77.40000121.9
245I35.9Very low40.2Very low173 Ų173132 Ų13289%0.88779%0.789SS**  trans-72.4129.7168-57.7170.5000110.1
246A31.7Very low40.6Very low98 Ų98131.9 Ų131.981%0.8179%0.788SS**  trans-157.6126.9134.300000110.2
247A34.4Very low41.2Very low105 Ų105130.1 Ų130.187%0.86878%0.781SS**  trans-67.5162.4-173.500000114.1
248G31.6Very low41.6Very low74 Ų74132.2 Ų132.276%0.76378%0.784SS**  trans155.884.3153.500000115.3G250G248-G250 PolarHBondContact O-N 2.91Å
249S42.2Very low42.5Very low136 Ų136129.8 Ų129.895%0.95178%0.778SS**  trans-51.7132.3151.6166.40000110
250G36.1Very low43.4Very low62 Ų62132.2 Ų132.264%0.63979%0.785SS**  trans134.5104.8154.400000117G248G248-G250 PolarHBondContact O-N 2.91Å
251R44.5Very low44.6Very low231 Ų231133.4 Ų133.487%0.87279%0.788SS**  trans64.1141.2154.2-84.7174137.3-162.7-5.7119.1Q253R251-Q253 PolarHBondContact O-N 3.47Å
252P44.7Very low45.3Very low131 Ų131135.2 Ų135.285%0.85179%0.79SS**  trans-72.8113.9167.930.6-31.4000109.7
253Q50.8Low45.6Very low141 Ų141137.5 Ų137.566%0.65980%0.796SS**  trans-85.8137.9164.4-73-76.5-17.900108.8R251 L255R251-Q253 PolarHBondContact O-N 3.47Å; Q253-L255 HydrophobicContact CB-CD1 4.41Å; Q253-L255 HydrophobicContact CB-CG 4.14Å; Q253-L255 PolarHBondContact O-N 2.93Å
254P54.6Low46Very low119 Ų119135.5 Ų135.577%0.77380%0.798SS**  trans-78.998.8170.731.7-28.7000108.5
255L46.3Very low46.9Very low135 Ų135133.7 Ų133.771%0.70779%0.785SS**  trans-112.987.8176.9-68.4174.8000109.9Q253Q253-L255 HydrophobicContact CB-CD1 4.41Å; Q253-L255 HydrophobicContact CB-CG 4.14Å; Q253-L255 PolarHBondContact O-N 2.93Å
256L50.8Low47.1Very low151 Ų151134.5 Ų134.579%0.79178%0.782SS**  trans-97.674.8144.1-69.8176.1000106.6F258L256-F258 HydrophobicContact CB-CE2 4.17Å; L256-F258 PolarHBondContact O-N 3.26Å
257S51.7Low47.5Very low84 Ų84135.8 Ų135.859%0.58778%0.784SS**  trans-80.2107.5162.154.80000107.2D259S257-D259 PolarHBondContact O-N 3.2Å
258F52.1Low47.8Very low199 Ų199137 Ų13787%0.87379%0.786SS**  trans-73.652.3171.7-69.1-89000111.3L256L256-F258 HydrophobicContact CB-CE2 4.17Å; L256-F258 PolarHBondContact O-N 3.26Å
259D59.9Low48.1Very low141 Ų141137 Ų13775%0.75479%0.786SS**  trans-120.525.8-176.7-151.2-19.2000112.3S257S257-D259 PolarHBondContact O-N 3.2Å
260E51.9Low48.2Very low179 Ų179137 Ų13784%0.83678%0.781SS**  trans-119.373.3171.8-165153.3-174.100109.4
261M60Low48.3Very low158 Ų158139.3 Ų139.378%0.77879%0.787SS**  trans-85.4123.2160.364.4-178.6-178.400108.2D263M261-D263 PolarHBondContact O-N 3.35Å
262M53.8Low48.7Very low169 Ų169131.8 Ų131.883%0.83377%0.774SS**  trans-74.4115.1179.544.4-71.6-82.200110G264M262-G264 VanDerWaalsContact C-N 3.34Å; M262-G264 PolarHBondContact O-N 2.86Å
263D52.8Low49.3Very low159 Ų159133.8 Ų133.885%0.8577%0.772SS**  trans-63.788.4167.8-85.4-32.6000110.6M261 S265M261-D263 PolarHBondContact O-N 3.35Å; D263-S265 PolarHBondContact O-N 2.77Å
264G47.3Very low49Very low79 Ų79134.6 Ų134.681%0.81478%0.781SS**  trans-86.472.116800000111.4M262M262-G264 VanDerWaalsContact C-N 3.34Å; M262-G264 PolarHBondContact O-N 2.86Å
265S51.5Low48.5Very low83 Ų83135.1 Ų135.158%0.5878%0.777SS**  trans-74.3158.7167.9-161.90000111.2D263D263-S265 PolarHBondContact O-N 2.77Å
266F40.7Very low48.3Very low190 Ų190134.2 Ų134.283%0.83378%0.78SS**  trans84.7109.5179.8-36.3-64.3000114.3
267C39.2Very low47.9Very low126 Ų126132.2 Ų132.285%0.85177%0.774SS**  cis-148.3132.143.9-71.50000112.7G269C267-G269 PolarHBondContact O-N 3.28Å
268S42.4Very low47.9Very low129 Ų129133.2 Ų133.290%0.90278%0.78SS**  trans-66.3107.9159.3-66.10000110.2
269G36Very low47.8Very low75 Ų75131.4 Ų131.477%0.77378%0.779SS**  trans-102.5111.5155.400000108.1C267C267-G269 PolarHBondContact O-N 3.28Å
270T45.4Very low47.1Very low136 Ų136130 Ų13083%0.83478%0.775SS**  trans-68.3126.5-179.553.80000111.4
271S38.3Very low46.6Very low110 Ų110127.5 Ų127.577%0.76977%0.768SS**  153.2111.2129.8-1760000112
272A51.8Low46.3Very low73 Ų73126.1 Ų126.160%0.60377%0.768SS**  trans58.5127.2142.700000119.6
273E58.3Low46.2Very low174 Ų174123.4 Ų123.481%0.81376%0.761SS**  trans61.699.6162.3-34-54.5108.500116.7
274D44.9Very low45.8Very low158 Ų158118.4 Ų118.485%0.84575%0.747SS**  trans-160.296.5136.5-133.2-107000109
275D42.4Very low46.2Very low130 Ų130120.3 Ų120.370%0.69575%0.748SS**  trans-68120.1162.8-169.820.9000106.5T277D275-T277 PolarHBondContact O-N 2.69Å
276P43Very low46.5Very low116 Ų116123 Ų12375%0.75376%0.756SS**  trans-75.874.4-176.230.8-34.3000110.4S278P276-S278 PolarHBondContact O-N 3.17Å
277T43.3Very low47.6Very low109 Ų109122.4 Ų122.467%0.66976%0.756SS**  trans-65.8100.8156.7490000107.5D275 L279D275-T277 PolarHBondContact O-N 2.69Å; T277-L279 PolarHBondContact O-N 3.49Å
278S50.6Low49Very low104 Ų104120.4 Ų120.473%0.72774%0.735SS**  trans19.775.4142.6-178.70000114.7P276 V280P276-S278 PolarHBondContact O-N 3.17Å; S278-V280 PolarHBondContact O-N 3Å
279L50.2Low50.7Low161 Ų161118.5 Ų118.584%0.84372%0.717SS**  trans-78.575.4175.9-173.169000109.8T277T277-L279 PolarHBondContact O-N 3.49Å
280V45.3Very low52.5Low111 Ų111121 Ų12167%0.67371%0.713SS**  trans-124.483.5148.3-84.60000105.9S278 V282S278-V280 PolarHBondContact O-N 3Å; V280-V282 PolarHBondContact O-N 3.39Å
281D42Very low54Low128 Ų128118.5 Ų118.568%0.68470%0.7SS**  trans-67.886.5168.5-136.84.8000106.6T283D281-T283 PolarHBondContact O-N 3.28Å; D281-T283 WeakPolarHBondContact OD1-CG2 3.36Å
282V53.3Low55.8Low129 Ų129119.2 Ų119.278%0.78269%0.687SS**  trans-76.463.5166.6-176.30000106.7V280 G284V280-V282 PolarHBondContact O-N 3.39Å; V282-G284 PolarHBondContact O-N 3.47Å
283T52.1Low57.1Low112 Ų112120.4 Ų120.469%0.68768%0.68SS**  trans-92.355.3162.664.40000108.1D281D281-T283 PolarHBondContact O-N 3.28Å; D281-T283 WeakPolarHBondContact OD1-CG2 3.36Å
284G44.4Very low57.9Low53 Ų53116.6 Ų116.655%0.54666%0.662SS.*  trans-81.6116.7148.400000105.1V282 D286V282-G284 PolarHBondContact O-N 3.47Å; G284-D286 PolarHBondContact O-N 3.48Å
285S55.3Low59.5Low120 Ų120111.6 Ų111.684%0.83964%0.643SS**  trans-6375.1172.5170.50000109.4Q287S285-Q287 PolarHBondContact O-N 2.94Å
286D57.2Low61.2Low139 Ų139109.2 Ų109.274%0.74363%0.63SS**  trans-75.2111.8172.3-150.627.2000105.7G284 M288G284-D286 PolarHBondContact O-N 3.48Å; D286-M288 PolarHBondContact O-N 3.1Å
287Q63.1Low62.8Low178 Ų178110.2 Ų110.283%0.83263%0.625SS**  trans-65.692171-72.1-161.434.200106.7S285 T289S285-Q287 PolarHBondContact O-N 2.94Å; Q287-T289 PolarHBondContact O-N 2.94Å; Q287-T289 VanDerWaalsContact O-N 3.09Å
288M69.6Low63.7Low84 Ų84112.6 Ų112.641%0.41463%0.628SS.*  trans-61.2118.5175.7-64.3-159.7-55.600107.7D286 Y292 Q293 L296D286-M288 PolarHBondContact O-N 3.1Å; M288-Y292 HydrophobicContact CB-CD1 4.13Å; M288-Y292 HydrophobicContact CE-CD1 4.14Å; M288-Y292 HydrophobicContact CE-CE1 4.28Å; M288-Y292 HydrophobicContact CG-CD1 4Å; M288-Y292 HydrophobicContact CG-CE1 4.42Å; M288-Y292 HydrophobicContact SD-CD1 3.21Å; M288-Y292 WeakPolarHBondContact SD-CD1 3.23Å; M288-Y292 HydrophobicContact SD-CE1 3.2Å; M288-Y292 WeakPolarHBondContact SD-CE1 3.07Å; M288-Y292 HydrophobicContact SD-CG 4.48Å; M288-Q293 HydrophobicContact CB-CG 4.22Å; M288-Q293 HydrophobicContact CE-CG 4.12Å; M288-Q293 PolarHBondContact O-NE2 3.45Å; M288-L296 HydrophobicContact CE-CD1 4.44Å
289T78.3Confident64Low88 Ų88111.8 Ų111.854%0.5463%0.627SS.*  trans-54.3143.717352.80000108.7Q287 S291 Y292 Q293Q287-T289 PolarHBondContact O-N 2.94Å; Q287-T289 VanDerWaalsContact O-N 3.09Å; T289-S291 PolarHBondContact O-N 3.32Å; T289-S291 PolarHBondContact OG1-OG 2.97Å; T289-S291 VanDerWaalsContact OG1-OG 3.04Å; T289-Y292 PolarHBondContact O-N 3.3Å; T289-Q293 PolarHBondContact O-N 2.87Å
290L74.4Confident64.4Low129 Ų129108.3 Ų108.368%0.67562%0.616SS**Hα-helixtrans-49.5-35179.1-101.5104.3000111.7Y292 Q293 H294L290-Y292 PolarHBondContact O-N 3.41Å; L290-Q293 PolarHBondContact O-N 3.09Å; L290-H294 PolarHBondContact O-CD2 3.42Å; L290-H294 PolarHBondContact O-N 2.97Å
291S75.6Confident64.7Low82 Ų82106 Ų10657%0.57362%0.615SS**Hα-helixtrans-58.4-40.917757.50000113.6T289 H294 A295T289-S291 PolarHBondContact O-N 3.32Å; T289-S291 PolarHBondContact OG1-OG 2.97Å; T289-S291 VanDerWaalsContact OG1-OG 3.04Å; S291-H294 PolarHBondContact O-N 3.42Å; S291-A295 PolarHBondContact O-N 2.78Å
292Y75.6Confident65.2Low125 Ų125108.9 Ų108.949%0.4963%0.625SS.*Hα-helixtrans-70.7-35.5178.2-174.5-98.9000112M288 T289 L290 A295 L296M288-Y292 HydrophobicContact CB-CD1 4.13Å; M288-Y292 HydrophobicContact CE-CD1 4.14Å; M288-Y292 HydrophobicContact CE-CE1 4.28Å; M288-Y292 HydrophobicContact CG-CD1 4Å; M288-Y292 HydrophobicContact CG-CE1 4.42Å; M288-Y292 HydrophobicContact SD-CD1 3.21Å; M288-Y292 WeakPolarHBondContact SD-CD1 3.23Å; M288-Y292 HydrophobicContact SD-CE1 3.2Å; M288-Y292 WeakPolarHBondContact SD-CE1 3.07Å; M288-Y292 HydrophobicContact SD-CG 4.48Å; T289-Y292 PolarHBondContact O-N 3.3Å; L290-Y292 PolarHBondContact O-N 3.41Å; Y292-A295 PolarHBondContact O-N 3.38Å; Y292-L296 HydrophobicContact CD1-CD1 3.79Å; Y292-L296 HydrophobicContact CE1-CD1 3.39Å; Y292-L296 HydrophobicContact CE1-CG 4.16Å; Y292-L296 PolarHBondContact O-N 2.9Å; Y292-L296 VanDerWaalsContact O-N 3.13Å
293Q80.3Confident65.1Low98 Ų98105.7 Ų105.746%0.45862%0.618SS.*Hα-helixtrans-64.5-40172.9-67.8-179.86100111.8M288 T289 L290 Q297M288-Q293 HydrophobicContact CB-CG 4.22Å; M288-Q293 HydrophobicContact CE-CG 4.12Å; M288-Q293 PolarHBondContact O-NE2 3.45Å; T289-Q293 PolarHBondContact O-N 2.87Å; L290-Q293 PolarHBondContact O-N 3.09Å; Q293-Q297 PolarHBondContact O-N 3.49Å
294H74.3Confident64.6Low94 Ų94111.8 Ų111.844%0.43563%0.628SS.*Hα-helixtrans-65.3-42173.8-72.7-65.4000112L290 S291 L296 Q297 H298L290-H294 PolarHBondContact O-CD2 3.42Å; L290-H294 PolarHBondContact O-N 2.97Å; S291-H294 PolarHBondContact O-N 3.42Å; H294-L296 PolarHBondContact O-N 3.26Å; H294-Q297 WeakPolarHBondContact O-CA 3.43Å; H294-Q297 VanDerWaalsContact O-CB 3.31Å; H294-Q297 WeakPolarHBondContact O-CB 3.37Å; H294-Q297 PolarHBondContact O-N 3.49Å; H294-H298 PolarHBondContact O-CD2 3.06Å; H294-H298 PolarHBondContact O-N 3.36Å
295A78.4Confident64.9Low54 Ų54117.1 Ų117.145%0.44664%0.644SS.*Hα-helixtrans-60-42.2178.300000112.8S291 Y292 Q297 H298 A299S291-A295 PolarHBondContact O-N 2.78Å; Y292-A295 PolarHBondContact O-N 3.38Å; A295-Q297 VanDerWaalsContact C-N 3.28Å; A295-Q297 PolarHBondContact O-N 3.23Å; A295-H298 PolarHBondContact O-N 2.88Å; A295-A299 PolarHBondContact O-N 2.93Å
296L78.5Confident64.4Low80 Ų80116.2 Ų116.242%0.41964%0.638SS.*Hα-helixtrans-64.8-32174.5-76.1165.3000112.6M288 Y292 H294 A299 S300M288-L296 HydrophobicContact CE-CD1 4.44Å; Y292-L296 HydrophobicContact CD1-CD1 3.79Å; Y292-L296 HydrophobicContact CE1-CD1 3.39Å; Y292-L296 HydrophobicContact CE1-CG 4.16Å; Y292-L296 PolarHBondContact O-N 2.9Å; Y292-L296 VanDerWaalsContact O-N 3.13Å; H294-L296 PolarHBondContact O-N 3.26Å; L296-A299 PolarHBondContact O-N 3.38Å; L296-S300 WeakPolarHBondContact O-CB 3.41Å; L296-S300 PolarHBondContact O-N 2.74Å; L296-S300 PolarHBondContact O-OG 3.31Å
297Q76.2Confident63.9Low137 Ų137116 Ų11664%0.6464%0.637SS**Hα-helixtrans-68.4-36.4174.5-115.8164.449.800112.5Q293 H294 A295 S300 G301Q293-Q297 PolarHBondContact O-N 3.49Å; H294-Q297 WeakPolarHBondContact O-CA 3.43Å; H294-Q297 VanDerWaalsContact O-CB 3.31Å; H294-Q297 WeakPolarHBondContact O-CB 3.37Å; H294-Q297 PolarHBondContact O-N 3.49Å; A295-Q297 VanDerWaalsContact C-N 3.28Å; A295-Q297 PolarHBondContact O-N 3.23Å; Q297-S300 PolarHBondContact O-OG 2.79Å; Q297-G301 PolarHBondContact O-N 3.22Å
298H62.3Low63.2Low158 Ų158113.1 Ų113.173%0.73163%0.627SS**Hα-helixtrans-71.2-35.6173.5-72.6-74.6000112.6H294 A295H294-H298 PolarHBondContact O-CD2 3.06Å; H294-H298 PolarHBondContact O-N 3.36Å; A295-H298 PolarHBondContact O-N 2.88Å
299A56.9Low62.2Low87 Ų87112.2 Ų112.272%0.71964%0.64SS**Hα-helixtrans-75.3-26.5178.800000113.5A295 L296A295-A299 PolarHBondContact O-N 2.93Å; L296-A299 PolarHBondContact O-N 3.38Å
300S59.3Low60.8Low88 Ų88115.6 Ų115.662%0.61565%0.649SS**THydrogen-bonded Turntrans-90.4-0.6179.7560000114.3L296 Q297 E302L296-S300 WeakPolarHBondContact O-CB 3.41Å; L296-S300 PolarHBondContact O-N 2.74Å; L296-S300 PolarHBondContact O-OG 3.31Å; Q297-S300 PolarHBondContact O-OG 2.79Å; S300-E302 PolarHBondContact O-N 2.91Å
301G52.2Low59.9Low63 Ų63116.1 Ų116.165%0.64965%0.652SS**  trans-75.352.5172.100000113.5Q297 G303Q297-G301 PolarHBondContact O-N 3.22Å; G301-G303 PolarHBondContact O-N 3.45Å
302E51.6Low59Low188 Ų188119.9 Ų119.988%0.87967%0.665SS**  trans-66.3115.7166.1179.369.9-161.200108.6S300S300-E302 PolarHBondContact O-N 2.91Å
303G52.5Low57.9Low62 Ų62122 Ų12264%0.63968%0.681SS**  trans120.775.6161.900000116.4G301G301-G303 PolarHBondContact O-N 3.45Å
304R41.5Very low56.3Low241 Ų241123 Ų12391%0.90969%0.694SS**  trans-156.1101136.3-124.7168.4168159.6-4.8110.3S306R304-S306 PolarHBondContact O-N 3.4Å
305D49.5Very low55Low164 Ų164126.8 Ų126.888%0.87772%0.717SS**  trans-40.2118.9159.7-66.4-76000110.8
306S45Very low53.7Low101 Ų101126.8 Ų126.871%0.70672%0.723SS**  trans-137.8117.8151.9-79.60000108.1R304 D308R304-S306 PolarHBondContact O-N 3.4Å; S306-D308 PolarHBondContact O-N 3.36Å
307D46.7Very low52.6Low135 Ų135131.4 Ų131.472%0.72274%0.742SS**  trans-64.151-176.1-16823.8000113.7
308D48.2Very low51.6Low117 Ų117131 Ų13163%0.62675%0.749SS**  trans-105.14.7-178-77.9-29.4000113.6S306 Q310S306-D308 PolarHBondContact O-N 3.36Å; D308-Q310 PolarHBondContact O-N 3.03Å
309G49.6Very low51.1Low66 Ų66130.4 Ų130.468%0.6875%0.751SS**THydrogen-bonded Turntrans-80-8.318000000115.4
310Q48.7Very low50.9Low159 Ų159134 Ų13474%0.74376%0.757SS**THydrogen-bonded Turntrans-100.4-2.3-174.2-65.4-158.461.500115D308D308-Q310 PolarHBondContact O-N 3.03Å
311L54.7Low50.6Low139 Ų139139 Ų13973%0.72877%0.767SS**SBendtrans-98.7-2.7-177.6-73.8169.1000114.8
312L57.2Low50.7Low162 Ų162145 Ų14585%0.84878%0.779SS**SBendtrans-102.319.7-175.7-74.9157.2000113.8
313M52.8Low50.7Low168 Ų168139.8 Ų139.883%0.82878%0.775SS**  trans-128.328.6-178.2-69.5-162.568.900115
314T47.3Very low50.5Low119 Ų119143.4 Ų143.473%0.7379%0.785SS**  trans-111.694.8169.1640000111G316T314-G316 PolarHBondContact O-N 2.97Å
315N46.1Very low51Low174 Ų174141 Ų14193%0.9378%0.784SS**  trans-68.8102.6158.7-67.8-56.3000108.5
316G51.7Low51.1Low54 Ų54137.4 Ų137.456%0.55778%0.777SS**SBendtrans150.1116.9166.200000114.1T314T314-G316 PolarHBondContact O-N 2.97Å
317E54.5Low51.5Low178 Ų178138.3 Ų138.383%0.83278%0.784SS**  trans3799.6136.8-174.3-175.911700116.5L319E317-L319 HydrophobicContact CG-CD1 4.49Å
318T55.4Low51.7Low127 Ų127140.7 Ų140.778%0.77979%0.79SS**  trans-129.798.3150.559.20000109.8L320T318-L320 PolarHBondContact O-N 2.91Å; T318-L320 VanDerWaalsContact O-N 3.11Å
319L51.3Low52Low146 Ų146138.6 Ų138.676%0.76480%0.796SS**  trans-47.8109.4154.4-92.4113.3000109.6E317E317-L319 HydrophobicContact CG-CD1 4.49Å
320L54Low52.1Low162 Ų162146.4 Ų146.485%0.84881%0.807SS**  trans-129.187.5153.2-71.1177.1000108.6T318T318-L320 PolarHBondContact O-N 2.91Å; T318-L320 VanDerWaalsContact O-N 3.11Å
321K53.1Low52.3Low193 Ų193148.6 Ų148.684%0.83981%0.814SS**  trans-44.3144.2152.5175.4172.9173.3178.80110.7
322E53.7Low52.4Low191 Ų191146.6 Ų146.689%0.89381%0.812SS**  trans103.5101.1161.3-158.9174.2-175.600116.3
323G50.3Low52Low77 Ų77147.5 Ų147.579%0.79481%0.812SS**  trans-175.457173.400000111Q325G323-Q325 PolarHBondContact O-N 2.9Å
324T50Low52.4Low139 Ų139145.1 Ų145.185%0.85381%0.812SS**  trans-62.8116.1167.9-61.80000109.7
325Q50.9Low52.5Low190 Ų190146.9 Ų146.989%0.88881%0.811SS**  trans-160.2131.4133.7-127.9178.9-76.300112.3G323G323-Q325 PolarHBondContact O-N 2.9Å
326A52Low52.9Low88 Ų88147.4 Ų147.473%0.72781%0.808SS**  trans-64.3137.9176.700000112.1
327S52.9Low52.7Low121 Ų121152.2 Ų152.285%0.84682%0.817SS**  trans-130.1112.6141.460.90000107.5G329S327-G329 PolarHBondContact O-N 3.19Å; S327-G329 VanDerWaalsContact O-N 3.16Å
328E52Low52.6Low184 Ų184152 Ų15286%0.8682%0.815SS**  trans-60.2106.6179.4-62.9169.6150.400110
329G53.3Low51.8Low73 Ų73155.1 Ų155.175%0.75382%0.818SS**  trans-109.886.8164.600000109.1S327 F331S327-G329 PolarHBondContact O-N 3.19Å; S327-G329 VanDerWaalsContact O-N 3.16Å; G329-F331 PolarHBondContact O-N 2.83Å
330Y51.4Low51.4Low231 Ų231151.5 Ų151.591%0.90682%0.817SS**  trans-6498.1161.4-95.1-99.4000107.5
331F54Low50.6Low205 Ų205153.2 Ų153.290%0.89982%0.821SS**  trans-106.6118.6159.8-164.9-102.2000108G329 Q333G329-F331 PolarHBondContact O-N 2.83Å; F331-Q333 PolarHBondContact O-N 2.92Å
332S56.8Low50.3Low97 Ų97149.9 Ų149.968%0.67882%0.821SS**  trans-52.4130.3-166.7-600000113.2S334S332-S334 PolarHBondContact O-N 3.41Å
333Q49Very low50Low181 Ų181150 Ų15085%0.84682%0.822SS**  trans-56.5103.8156.1-70.9173.818.600108.5F331 Q335F331-Q333 PolarHBondContact O-N 2.92Å; Q333-Q335 VanDerWaalsContact C-N 3.35Å; Q333-Q335 PolarHBondContact O-N 2.92Å
334S61.4Low49.8Very low118 Ų118155.2 Ų155.283%0.82583%0.825SS**  trans-83.594.3150-72.90000106.6S332S332-S334 PolarHBondContact O-N 3.41Å
335Q47.7Very low49.4Very low155 Ų155154 Ų15472%0.72482%0.823SS**  trans-76112.5165.2178.1176.158.700107.3Q333Q333-Q335 VanDerWaalsContact C-N 3.35Å; Q333-Q335 PolarHBondContact O-N 2.92Å
336E55.6Low49.5Very low185 Ų185151 Ų15186%0.86482%0.823SS**  trans-113.1103.9159.158.4-162.6-179.500107.9
337E47.2Very low49.3Very low156 Ų156150.8 Ų150.873%0.72982%0.821SS**  trans-58.5139.6162.4-79.8166.6104.500108.2
338E53.5Low49.5Very low172 Ų172154.6 Ų154.680%0.80482%0.822SS**  -172.7118.986.9179.3165.6-169.300111.8
339F37.3Very low49.4Very low193 Ų193151.7 Ų151.785%0.84682%0.82SS**  trans54.1117.9143.9-79.3-109.5000122.6
340G43.8Very low49.4Very low71 Ų71151.9 Ų151.973%0.73281%0.814SS**  trans162.996.1146.600000115.8
341Q37Very low49.7Very low198 Ų198146.7 Ų146.793%0.92581%0.808SS**  trans83.285.7159.9-52.2-174.4-1.700117.4
342S46.7Very low50.3Low122 Ų122142 Ų14285%0.85380%0.796SS**  trans-54.8123145.9-34.70000110.7
343E46.3Very low50.6Low195 Ų195145.3 Ų145.391%0.91180%0.799SS**  -156.9127.8127.1-118.5177.5125.200110S345E343-S345 PolarHBondContact O-N 2.99Å
344E48.1Very low51.3Low185 Ų185145.8 Ų145.886%0.86479%0.794SS**  trans-54.6118.4176167.9-179.5149.200112.3
345S41.4Very low51.4Low114 Ų114146.5 Ų146.580%0.79779%0.788SS**  trans-15075150.8-89.40000110.1E343 A347E343-S345 PolarHBondContact O-N 2.99Å; S345-A347 PolarHBondContact O-N 3.39Å
346S53Low52.6Low128 Ų128146.7 Ų146.790%0.89579%0.787SS**  trans-64.383.5160.5-177.10000109.1
347A48Very low53.7Low82 Ų82143 Ų14368%0.67878%0.779SS**  trans-140.5117.2163.100000107S345S345-A347 PolarHBondContact O-N 3.39Å
348K55.2Low55.1Low201 Ų201140.8 Ų140.887%0.87478%0.778SS**  trans-38.5129173.7-68.1160.4175.9172.10109.5A350K348-A350 PolarHBondContact O-N 3.02Å
349P51.8Low56.4Low124 Ų124141.2 Ų141.281%0.80578%0.78SS**  trans-60.3118172.724.6-30.9000107.3
350A52.9Low58.2Low76 Ų76138.7 Ų138.763%0.62877%0.774SS**  trans-54.5143.4169.500000108K348 V352K348-A350 PolarHBondContact O-N 3.02Å; A350-V352 PolarHBondContact O-N 3.36Å
351P58.1Low59.8Low123 Ų123140.2 Ų140.280%0.79977%0.765SS**  trans-55107.3178.4-21.131000109.1F353P351-F353 VanDerWaalsContact C-N 3.35Å; P351-F353 PolarHBondContact O-N 2.86Å
352V65.9Low61.7Low105 Ų105136.8 Ų136.864%0.63675%0.752SS**  trans-72.499.7174.1178.40000105.4A350 Y354A350-V352 PolarHBondContact O-N 3.36Å; V352-Y354 HydrophobicContact CG1-CE2 4.46Å; V352-Y354 WeakPolarHBondContact O-CD2 3.29Å; V352-Y354 PolarHBondContact O-N 3.24Å
353F62.3Low62.7Low167 Ų167135.7 Ų135.773%0.73274%0.741SS**  trans-64.4102.7168.4-133.5-90.5000106.3P351 N355P351-F353 VanDerWaalsContact C-N 3.35Å; P351-F353 PolarHBondContact O-N 2.86Å; F353-N355 WeakPolarHBondContact CD1-OD1 3.45Å; F353-N355 PolarHBondContact O-N 3.43Å
354Y64.3Low63.9Low192 Ų192130.4 Ų130.475%0.75372%0.724SS**  trans-66.677.3169.7-75.5-90.1000108.2V352 K356V352-Y354 HydrophobicContact CG1-CE2 4.46Å; V352-Y354 WeakPolarHBondContact O-CD2 3.29Å; V352-Y354 PolarHBondContact O-N 3.24Å; Y354-K356 PolarHBondContact O-N 3.37Å
355N64.2Low65Low132 Ų132131.8 Ų131.871%0.70672%0.722SS**  trans-72.7-1.6175.1-87.6-51.1000112.5F353F353-N355 WeakPolarHBondContact CD1-OD1 3.45Å; F353-N355 PolarHBondContact O-N 3.43Å
356K72.6Confident66.3Low160 Ų160133.4 Ų133.470%0.69672%0.721SS**SBendtrans-136.2124.3167.8-75.2-177.4176-173.20109.3Y354Y354-K356 PolarHBondContact O-N 3.37Å
357P78.5Confident66.9Low107 Ų107132.9 Ų132.970%0.69571%0.713SS**  trans-59.9149.4167.724.9-29.9000109.2E359P357-E359 PolarHBondContact O-N 3.29Å
358P76.8Confident67.9Low110 Ų110135.2 Ų135.271%0.71471%0.714SS**  trans-55.3126.8176.720.5-29.7000109.5I360P358-I360 PolarHBondContact O-N 2.84Å; P358-I360 VanDerWaalsContact O-N 3.08Å
359E79.5Confident68.5Low180 Ų180130.6 Ų130.684%0.84171%0.705SS**  trans-65.9109.5172.7-74.5176.1-175.200107.4P357 D361P357-E359 PolarHBondContact O-N 3.29Å; E359-D361 PolarHBondContact O-N 2.77Å
360I76.2Confident69.1Low141 Ų141130.4 Ų130.472%0.72370%0.701SS**  trans-74.1116.3170.352.3167.3000107.9P358 I362P358-I360 PolarHBondContact O-N 2.84Å; P358-I360 VanDerWaalsContact O-N 3.08Å; I360-I362 HydrophobicContact CD1-CG2 4.41Å; I360-I362 HydrophobicContact CG1-CG2 4.49Å; I360-I362 PolarHBondContact O-N 2.76Å; I360-I362 VanDerWaalsContact O-N 3.15Å
361D77.4Confident69.8Low102 Ų102132.3 Ų132.355%0.54570%0.704SS.*  trans-74.1102.9173.1-170.5-10.3000108.7E359 T363 C364E359-D361 PolarHBondContact O-N 2.77Å; D361-T363 VanDerWaalsContact CG-OG1 3.25Å; D361-T363 PolarHBondContact O-N 3.11Å; D361-T363 WeakPolarHBondContact OD1-CB 3.3Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.33Å; D361-T363 PolarHBondContact OD1-N 2.91Å; D361-T363 PolarHBondContact OD1-OG1 3.38Å; D361-T363 PolarHBondContact OD2-OG1 3.28Å; D361-C364 PolarHBondContact O-SG 3.18Å
362I76.1Confident70Confident126 Ų126132.8 Ų132.865%0.64670%0.7SS**G310 helixtrans-75.4-5.9-179.858.2169.1000112.9I360 C364I360-I362 HydrophobicContact CD1-CG2 4.41Å; I360-I362 HydrophobicContact CG1-CG2 4.49Å; I360-I362 PolarHBondContact O-N 2.76Å; I360-I362 VanDerWaalsContact O-N 3.15Å; I362-C364 PolarHBondContact O-N 3.19Å
363T68.9Low69.6Low100 Ų100136.2 Ų136.261%0.61371%0.709SS**G310 helixtrans-74-17.4178.967.10000112.7D361 W365D361-T363 VanDerWaalsContact CG-OG1 3.25Å; D361-T363 PolarHBondContact O-N 3.11Å; D361-T363 WeakPolarHBondContact OD1-CB 3.3Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.33Å; D361-T363 PolarHBondContact OD1-N 2.91Å; D361-T363 PolarHBondContact OD1-OG1 3.38Å; D361-T363 PolarHBondContact OD2-OG1 3.28Å; T363-W365 PolarHBondContact O-N 3.29Å
364C71.1Confident69.6Low83 Ų83135.8 Ų135.856%0.56172%0.715SS**G310 helixtrans-79.6-2.1178.569.40000114.3D361 I362D361-C364 PolarHBondContact O-SG 3.18Å; I362-C364 PolarHBondContact O-N 3.19Å
365W71.1Confident69.2Low215 Ų215133.9 Ų133.981%0.81472%0.717SS**G310 helixtrans-90.7-14.4176.5-67.372.9000113.3T363 T367T363-W365 PolarHBondContact O-N 3.29Å; W365-T367 PolarHBondContact O-N 3.34Å
366D68Low68.6Low148 Ų148138.7 Ų138.779%0.79174%0.743SS**  trans-89.512.4-179.8-156.625.9000112.6D368D366-D368 PolarHBondContact O-N 2.75Å
367T65.6Low68.4Low117 Ų117137.7 Ų137.772%0.71875%0.746SS**  trans-90.662.5169.6-37.90000108.6W365 P369W365-T367 PolarHBondContact O-N 3.34Å; T367-P369 WeakPolarHBondContact O-CD 3.27Å
368D70.3Confident67.9Low130 Ų130139.3 Ų139.370%0.69575%0.748SS**  trans-65.3119.7164.9-167.118000106.9D366 V370D366-D368 PolarHBondContact O-N 2.75Å; D368-V370 PolarHBondContact O-N 3.06Å
369P67.6Low67.4Low105 Ų105140.9 Ų140.968%0.68275%0.75SS**  trans-61.7108.4172.425.6-31.9000107.3T367 V371T367-P369 WeakPolarHBondContact O-CD 3.27Å; P369-V371 PolarHBondContact O-N 3.39Å
370V63.8Low66.7Low119 Ų119138.6 Ų138.672%0.72175%0.745SS**  trans-51.6111.1165.2-179.20000105.5D368 D372D368-V370 PolarHBondContact O-N 3.06Å; V370-D372 VanDerWaalsContact C-N 3.3Å; V370-D372 PolarHBondContact O-N 3.22Å
371V67.1Low66.1Low116 Ų116138.4 Ų138.470%0.70375%0.746SS**  trans-57106.6161142.60000104.1P369 E373P369-V371 PolarHBondContact O-N 3.39Å; V371-E373 VanDerWaalsContact C-N 3.28Å; V371-E373 PolarHBondContact O-N 3.42Å
372D63.4Low65.4Low133 Ų133140.9 Ų140.971%0.71176%0.76SS**  trans-58.9103.9162.2-72.4-48.9000104.9V370 D374V370-D372 VanDerWaalsContact C-N 3.3Å; V370-D372 PolarHBondContact O-N 3.22Å; D372-D374 PolarHBondContact O-N 3.35Å
373E58Low64.6Low177 Ų177141.9 Ų141.983%0.82777%0.768SS**  trans-70.578.6170.1-164.3155.1118.200106.5V371 D375V371-E373 VanDerWaalsContact C-N 3.28Å; V371-E373 PolarHBondContact O-N 3.42Å; E373-D375 VanDerWaalsContact C-N 3.25Å; E373-D375 PolarHBondContact O-N 3.36Å
374D60.5Low64.2Low159 Ų159145.2 Ų145.285%0.8578%0.779SS**  trans-68.787.8163.7-86.1-45.2000107.8D372D372-D374 PolarHBondContact O-N 3.35Å
375D56.7Low63.7Low151 Ų151150.3 Ų150.381%0.80780%0.798SS**  trans-15086.4157.5-137.7-11.4000109.5E373E373-D375 VanDerWaalsContact C-N 3.25Å; E373-D375 PolarHBondContact O-N 3.36Å
376D52.3Low63Low234 Ų234144.5 Ų144.5100%1.25180%0.796SS**  -175.70124.9-154.78.1000111.4

Retrieved 376 of 376 residues in 198.8 ms (Link to these results)