A0A096LR23_POEFO Loading...

Dishevelled-binding antagonist of beta-catenin 1

AlphaFold DB , UniProt , Accession A0A096LR23, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 852 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M31.9Very low40.4Very low234 Ų234149.3 Ų149.3100%1.15381%0.809SS**  0140.90-67.4-51.5179.600108.4
2P52.1Low40.3Very low104 Ų104149.8 Ų149.868%0.67581%0.81SS**  -118.5141.2-7137.8-28000111.6
3L38.7Very low41.1Very low144 Ų144142.5 Ų142.575%0.75479%0.792SS**  74.3140.599.1-61.1173.4000117.6
4F36Very low41.4Very low188 Ų188149.9 Ų149.983%0.82580%0.802SS**  trans62.4134.3171.1-53.7-70000117.4
5A37.8Very low41.5Very low89 Ų89147.2 Ų147.274%0.73680%0.798SS**  cis107.4142.913.100000115.1
6A37.3Very low41.7Very low101 Ų101142.9 Ų142.984%0.83580%0.799SS**  trans65.4157.1-177.100000115.3
7S36Very low42Very low109 Ų109148.1 Ų148.176%0.76280%0.803SS**  cis-142.3151.26.2-161.50000113.2
8R44.5Very low42.5Very low200 Ų200150.4 Ų150.476%0.75581%0.807SS**  trans-63.6138.4156.3-78.1-173.9174.1-138.14.2108.5E10R8-E10 IonicContact CZ-OE2 3.78Å; R8-E10 IonicContact NH1-OE2 3.89Å; R8-E10 PolarHBondContact NH1-OE2 2.93Å
9R45.3Very low43.4Very low245 Ų245154.6 Ų154.693%0.92581%0.81SS**  trans-129.4104142.8-103.6-167-76-134.41110.3
10E43Very low44.3Very low155 Ų155150.8 Ų150.872%0.72480%0.803SS**  trans-82.3152165.6-160.3157.6174.600107.7R8R8-E10 IonicContact CZ-OE2 3.78Å; R8-E10 IonicContact NH1-OE2 3.89Å; R8-E10 PolarHBondContact NH1-OE2 2.93Å
11G41.6Very low44.9Very low73 Ų73146.8 Ų146.875%0.75379%0.785SS**  trans104.2144.6-167.800000112.5
12D39.3Very low46.6Very low155 Ų155139 Ų13983%0.82975%0.754SS**  cis-134.1152.59.6-173.423.4000111.9R14D12-R14 PolarHBondContact O-N 3.21Å
13G50.2Low47.4Very low56 Ų56138.7 Ų138.758%0.57775%0.746SS**  trans-68.795.9-177.500000111.5C15G13-C15 PolarHBondContact O-N 3.01Å
14R45.5Very low49.1Very low245 Ų245133.4 Ų133.493%0.92573%0.727SS**  trans-66.985167.3-63.2-165.4-155.7-780.8109.5D12 G16D12-R14 PolarHBondContact O-N 3.21Å; R14-G16 PolarHBondContact O-N 2.84Å
15C43Very low51.1Low110 Ų110128.9 Ų128.974%0.74371%0.708SS**  trans-42.5134.1168.3-690000109.4G13 R17G13-C15 PolarHBondContact O-N 3.01Å; C15-R17 PolarHBondContact O-N 2.9Å
16G45.8Very low53.2Low79 Ų79129.8 Ų129.881%0.81469%0.693SS**  trans-63.282.1175.600000110.4R14 H18R14-G16 PolarHBondContact O-N 2.84Å; G16-H18 VanDerWaalsContact C-N 3.28Å; G16-H18 PolarHBondContact O-N 2.81Å
17R46.5Very low55.4Low231 Ų231130.9 Ų130.987%0.87268%0.684SS**  trans-63.297.2169.4-85-164.9-94.8-162.3-7.8106.7C15 R19C15-R17 PolarHBondContact O-N 2.9Å; R17-R19 PolarHBondContact O-N 2.98Å
18H49.8Very low57.9Low190 Ų190132.3 Ų132.388%0.8867%0.672SS**  trans-50.993.3159.2-125.6-75.6000106.3G16 A20G16-H18 VanDerWaalsContact C-N 3.28Å; G16-H18 PolarHBondContact O-N 2.81Å; H18-A20 PolarHBondContact O-N 3.15Å
19R59.7Low60.1Low229 Ų229125.6 Ų125.686%0.86466%0.656SS**PPolyproline II helixtrans-60.2117.3168.2-86.6-177.8166.9165.5-4104.6R17R17-R19 PolarHBondContact O-N 2.98Å
20A61.9Low62.4Low79 Ų79117.4 Ų117.465%0.65363%0.633SS**PPolyproline II helixtrans-51.8131.1163.500000106.3H18 S22H18-A20 PolarHBondContact O-N 3.15Å; A20-S22 PolarHBondContact O-N 2.89Å
21P56.8Low64.9Low67 Ų67117.1 Ų117.144%0.43563%0.625SS.*PPolyproline II helixtrans-55.3134.2-173.419.6-30.6000108.5E25 R26P21-E25 WeakPolarHBondContact CA-OE2 3.17Å; P21-E25 HydrophobicContact CB-CB 4.17Å; P21-R26 PolarHBondContact O-NH1 3.43Å; P21-R26 PolarHBondContact O-NH2 2.85Å
22S67.7Low67.4Low71 Ų71118.3 Ų118.350%0.49761%0.612SS.*PPolyproline II helixtrans-57.1150.9178.9178.50000109.3A20 G24 E25 R26A20-S22 PolarHBondContact O-N 2.89Å; S22-G24 PolarHBondContact O-N 3.24Å; S22-G24 VanDerWaalsContact O-N 3.15Å; S22-E25 PolarHBondContact N-OE2 3.31Å; S22-E25 WeakPolarHBondContact O-CA 3.25Å; S22-E25 WeakPolarHBondContact O-CB 3.49Å; S22-E25 PolarHBondContact O-N 3.31Å; S22-R26 PolarHBondContact O-N 2.87Å
23D69.1Low70.1Confident96 Ų96118.2 Ų118.251%0.51360%0.6SS.*Hα-helixtrans-60.2-27.7176.1-69.7-71.2000112E25 R26 L27D23-E25 VanDerWaalsContact C-N 3.29Å; D23-E25 PolarHBondContact O-N 2.77Å; D23-R26 PolarHBondContact O-N 3.06Å; D23-R26 IonicContact OD1-CZ 3.16Å; D23-R26 IonicContact OD1-NE 2.8Å; D23-R26 PolarHBondContact OD1-NE 2.9Å; D23-R26 IonicContact OD1-NH2 2.73Å; D23-R26 PolarHBondContact OD1-NH2 3.11Å; D23-R26 IonicContact OD2-NH2 3.02Å; D23-R26 PolarHBondContact OD2-NH2 2.9Å; D23-L27 WeakPolarHBondContact O-CB 3.35Å; D23-L27 VanDerWaalsContact O-CG 3.22Å; D23-L27 WeakPolarHBondContact O-CG 3.27Å; D23-L27 PolarHBondContact O-N 2.82Å
24G75.3Confident72.4Confident34 Ų34120.1 Ų120.135%0.35160%0.596SS.*Hα-helixtrans-69.1-17.8168.700000115.2S22 R28S22-G24 PolarHBondContact O-N 3.24Å; S22-G24 VanDerWaalsContact O-N 3.15Å; G24-R28 WeakPolarHBondContact O-CB 3.48Å; G24-R28 VanDerWaalsContact O-CG 3.24Å; G24-R28 WeakPolarHBondContact O-CG 3.31Å; G24-R28 PolarHBondContact O-N 3.4Å; G24-R28 PolarHBondContact O-NE 3.27Å
25E77.3Confident74.8Confident92 Ų92113 Ų11343%0.4357%0.573SS.*Hα-helixtrans-87-39.8171.2-69.8162.216800110.8P21 S22 D23 R28 S29P21-E25 WeakPolarHBondContact CA-OE2 3.17Å; P21-E25 HydrophobicContact CB-CB 4.17Å; S22-E25 PolarHBondContact N-OE2 3.31Å; S22-E25 WeakPolarHBondContact O-CA 3.25Å; S22-E25 WeakPolarHBondContact O-CB 3.49Å; S22-E25 PolarHBondContact O-N 3.31Å; D23-E25 VanDerWaalsContact C-N 3.29Å; D23-E25 PolarHBondContact O-N 2.77Å; E25-R28 PolarHBondContact O-N 3.19Å; E25-R28 IonicContact OE1-NH2 3.01Å; E25-S29 WeakPolarHBondContact O-CB 3.43Å; E25-S29 PolarHBondContact O-N 3.44Å
26R81.1Confident77.4Confident109 Ų109113.2 Ų113.241%0.41157%0.566SS.*Hα-helixtrans-57.2-48.7169-72.6-169.9-90.6-84.31.7111.3P21 S22 D23 S29 V30P21-R26 PolarHBondContact O-NH1 3.43Å; P21-R26 PolarHBondContact O-NH2 2.85Å; S22-R26 PolarHBondContact O-N 2.87Å; D23-R26 PolarHBondContact O-N 3.06Å; D23-R26 IonicContact OD1-CZ 3.16Å; D23-R26 IonicContact OD1-NE 2.8Å; D23-R26 PolarHBondContact OD1-NE 2.9Å; D23-R26 IonicContact OD1-NH2 2.73Å; D23-R26 PolarHBondContact OD1-NH2 3.11Å; D23-R26 IonicContact OD2-NH2 3.02Å; D23-R26 PolarHBondContact OD2-NH2 2.9Å; R26-S29 PolarHBondContact O-N 3.35Å; R26-V30 WeakPolarHBondContact O-CG2 3.29Å; R26-V30 PolarHBondContact O-N 2.81Å
27L83.9Confident79.9Confident123 Ų123113.9 Ų113.964%0.64455%0.549SS*.Hα-helixtrans-66.5-37.6179.6-71.1168.3000112.9D23 V30 R31D23-L27 WeakPolarHBondContact O-CB 3.35Å; D23-L27 VanDerWaalsContact O-CG 3.22Å; D23-L27 WeakPolarHBondContact O-CG 3.27Å; D23-L27 PolarHBondContact O-N 2.82Å; L27-V30 PolarHBondContact O-N 2.9Å; L27-R31 WeakPolarHBondContact O-CB 3.3Å; L27-R31 PolarHBondContact O-N 3.04Å
28R87.5Confident82.3Confident140 Ų140107.8 Ų107.853%0.52854%0.537SS..Hα-helixtrans-64-47.9173.1-82.2-178.1-69.5173.14.5111.9G24 E25 V30 R31 E32G24-R28 WeakPolarHBondContact O-CB 3.48Å; G24-R28 VanDerWaalsContact O-CG 3.24Å; G24-R28 WeakPolarHBondContact O-CG 3.31Å; G24-R28 PolarHBondContact O-N 3.4Å; G24-R28 PolarHBondContact O-NE 3.27Å; E25-R28 PolarHBondContact O-N 3.19Å; E25-R28 IonicContact OE1-NH2 3.01Å; R28-V30 VanDerWaalsContact C-N 3.3Å; R28-V30 PolarHBondContact O-N 3.31Å; R28-R31 WeakPolarHBondContact O-CA 3.31Å; R28-R31 WeakPolarHBondContact O-CB 3.34Å; R28-R31 PolarHBondContact O-N 2.86Å; R28-E32 WeakPolarHBondContact O-CG 3.19Å; R28-E32 PolarHBondContact O-N 3Å
29S91.7Very high84.6Confident59 Ų59101.9 Ų101.941%0.41352%0.517SS..Hα-helixtrans-61.6-36176.3-175.40000112.9E25 R26 R33E25-S29 WeakPolarHBondContact O-CB 3.43Å; E25-S29 PolarHBondContact O-N 3.44Å; R26-S29 PolarHBondContact O-N 3.35Å; S29-R33 WeakPolarHBondContact O-CB 3.3Å; S29-R33 VanDerWaalsContact O-CG 3.28Å; S29-R33 WeakPolarHBondContact O-CG 3.36Å; S29-R33 PolarHBondContact O-N 3.16Å
30V94.3Very high86.4Confident73 Ų7394.5 Ų94.544%0.44250%0.498SS..Hα-helixtrans-66.3-42.4172.2169.20000111.4R26 L27 R28 R33 L34R26-V30 WeakPolarHBondContact O-CG2 3.29Å; R26-V30 PolarHBondContact O-N 2.81Å; L27-V30 PolarHBondContact O-N 2.9Å; R28-V30 VanDerWaalsContact C-N 3.3Å; R28-V30 PolarHBondContact O-N 3.31Å; V30-R33 PolarHBondContact O-N 3.27Å; V30-L34 HydrophobicContact CG1-CD1 3.95Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 3.47Å
31R94.5Very high88.2Confident148 Ų14896.2 Ų96.256%0.55850%0.495SS*.Hα-helixtrans-61.6-48175.2-174.7-174.6170.1-67.4-17.4111.6L27 R28 R33 L34 E35L27-R31 WeakPolarHBondContact O-CB 3.3Å; L27-R31 PolarHBondContact O-N 3.04Å; R28-R31 WeakPolarHBondContact O-CA 3.31Å; R28-R31 WeakPolarHBondContact O-CB 3.34Å; R28-R31 PolarHBondContact O-N 2.86Å; R31-R33 VanDerWaalsContact C-N 3.32Å; R31-R33 PolarHBondContact O-N 3Å; R31-L34 WeakPolarHBondContact O-CB 3.43Å; R31-L34 PolarHBondContact O-N 2.9Å; R31-L34 VanDerWaalsContact O-N 3.16Å; R31-E35 IonicContact CZ-OE1 2.66Å; R31-E35 IonicContact CZ-OE2 3.38Å; R31-E35 IonicContact NH1-OE1 3.35Å; R31-E35 IonicContact NH1-OE2 3.96Å; R31-E35 PolarHBondContact NH1-OE2 3.24Å; R31-E35 IonicContact NH2-OE1 2.75Å; R31-E35 PolarHBondContact NH2-OE1 2.99Å; R31-E35 IonicContact NH2-OE2 3.7Å; R31-E35 PolarHBondContact NH2-OE2 2.97Å; R31-E35 WeakPolarHBondContact O-CB 3.43Å; R31-E35 PolarHBondContact O-N 3.48Å
32E95.4Very high90.1Very high99 Ų9994.9 Ų94.946%0.46349%0.493SS..Hα-helixtrans-60.3-40.5177.5-70.6152.6-160.900111.7R28 E35 L36R28-E32 WeakPolarHBondContact O-CG 3.19Å; R28-E32 PolarHBondContact O-N 3Å; E32-E35 PolarHBondContact O-N 3.44Å; E32-L36 WeakPolarHBondContact O-CB 3.44Å; E32-L36 WeakPolarHBondContact O-CG 3.44Å; E32-L36 PolarHBondContact O-N 3.44Å
33R95.9Very high91.6Very high153 Ų15397.5 Ų97.558%0.57750%0.498SS*.Hα-helixtrans-67.1-36.6173.8-76.7179.661.1-144.4-9.2113.4S29 V30 R31 M37S29-R33 WeakPolarHBondContact O-CB 3.3Å; S29-R33 VanDerWaalsContact O-CG 3.28Å; S29-R33 WeakPolarHBondContact O-CG 3.36Å; S29-R33 PolarHBondContact O-N 3.16Å; V30-R33 PolarHBondContact O-N 3.27Å; R31-R33 VanDerWaalsContact C-N 3.32Å; R31-R33 PolarHBondContact O-N 3Å; R33-M37 VanDerWaalsContact O-CG 3.3Å; R33-M37 WeakPolarHBondContact O-CG 3.21Å; R33-M37 PolarHBondContact O-N 3.4Å
34L97.1Very high92.9Very high95 Ų9597.6 Ų97.650%0.49750%0.498SS..Hα-helixtrans-66.6-43.7173.6-74.9161.9000111V30 R31 M37 V38V30-L34 HydrophobicContact CG1-CD1 3.95Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 3.47Å; R31-L34 WeakPolarHBondContact O-CB 3.43Å; R31-L34 PolarHBondContact O-N 2.9Å; R31-L34 VanDerWaalsContact O-N 3.16Å; L34-M37 HydrophobicContact CD2-CE 3.77Å; L34-M37 HydrophobicContact CG-CE 4.36Å; L34-M37 PolarHBondContact O-N 2.98Å; L34-V38 WeakPolarHBondContact O-CG2 3.34Å; L34-V38 PolarHBondContact O-N 2.98Å
35E96.8Very high94Very high97 Ų97100.9 Ų100.945%0.45350%0.504SS..Hα-helixtrans-61.3-44.5177.6-159.3156.7-14700110.9R31 E32 V38 S39R31-E35 IonicContact CZ-OE1 2.66Å; R31-E35 IonicContact CZ-OE2 3.38Å; R31-E35 IonicContact NH1-OE1 3.35Å; R31-E35 IonicContact NH1-OE2 3.96Å; R31-E35 PolarHBondContact NH1-OE2 3.24Å; R31-E35 IonicContact NH2-OE1 2.75Å; R31-E35 PolarHBondContact NH2-OE1 2.99Å; R31-E35 IonicContact NH2-OE2 3.7Å; R31-E35 PolarHBondContact NH2-OE2 2.97Å; R31-E35 WeakPolarHBondContact O-CB 3.43Å; R31-E35 PolarHBondContact O-N 3.48Å; E32-E35 PolarHBondContact O-N 3.44Å; E35-V38 PolarHBondContact O-N 3.48Å; E35-S39 PolarHBondContact O-N 3.49Å; E35-S39 PolarHBondContact O-OG 3.24Å
36L97.8Very high95Very high114 Ų114103.5 Ų103.560%0.59751%0.511SS*.Hα-helixtrans-60.9-42.7171.1-79.8164000113.5E32 V38 S39 V40E32-L36 WeakPolarHBondContact O-CB 3.44Å; E32-L36 WeakPolarHBondContact O-CG 3.44Å; E32-L36 PolarHBondContact O-N 3.44Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 2.93Å; L36-S39 PolarHBondContact O-N 2.85Å; L36-V40 WeakPolarHBondContact O-CG2 3.38Å; L36-V40 PolarHBondContact O-N 3.46Å
37M97.9Very high95.8Very high93 Ų93102.7 Ų102.746%0.45852%0.515SS..Hα-helixtrans-66.1-35.1177.6-74-174.7-5300112.2R33 L34 V40 L41R33-M37 VanDerWaalsContact O-CG 3.3Å; R33-M37 WeakPolarHBondContact O-CG 3.21Å; R33-M37 PolarHBondContact O-N 3.4Å; L34-M37 HydrophobicContact CD2-CE 3.77Å; L34-M37 HydrophobicContact CG-CE 4.36Å; L34-M37 PolarHBondContact O-N 2.98Å; M37-V40 PolarHBondContact O-N 3.45Å; M37-L41 WeakPolarHBondContact O-CB 3.45Å; M37-L41 VanDerWaalsContact O-CG 3.25Å; M37-L41 WeakPolarHBondContact O-CG 3.31Å; M37-L41 PolarHBondContact O-N 3Å
38V97.8Very high96.5Very high102 Ų102104.5 Ų104.562%0.61851%0.513SS*.Hα-helixtrans-65.5-43.2173.6171.30000111L34 E35 L36 L41 G42L34-V38 WeakPolarHBondContact O-CG2 3.34Å; L34-V38 PolarHBondContact O-N 2.98Å; E35-V38 PolarHBondContact O-N 3.48Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 2.93Å; V38-L41 PolarHBondContact O-N 2.93Å; V38-G42 PolarHBondContact O-N 2.78Å
39S97.3Very high97Very high66 Ų66102.5 Ų102.546%0.46251%0.509SS..Hα-helixtrans-59.2-48.2173.9-60.50000112.3E35 L36 L41 G42 E43E35-S39 PolarHBondContact O-N 3.49Å; E35-S39 PolarHBondContact O-OG 3.24Å; L36-S39 PolarHBondContact O-N 2.85Å; S39-L41 VanDerWaalsContact C-N 3.33Å; S39-L41 PolarHBondContact O-N 2.88Å; S39-G42 PolarHBondContact O-N 2.89Å; S39-G42 VanDerWaalsContact O-N 3.15Å; S39-E43 PolarHBondContact O-N 3.47Å
40V98Very high97.3Very high75 Ų75106.5 Ų106.546%0.45552%0.515SS..Hα-helixtrans-62.9-37.6178.6170.50000111.9L36 M37 E43 L44L36-V40 WeakPolarHBondContact O-CG2 3.38Å; L36-V40 PolarHBondContact O-N 3.46Å; M37-V40 PolarHBondContact O-N 3.45Å; V40-E43 PolarHBondContact O-N 2.95Å; V40-L44 HydrophobicContact CG1-CD1 4.02Å; V40-L44 HydrophobicContact CG1-CG 4.44Å; V40-L44 WeakPolarHBondContact O-CB 3.41Å; V40-L44 VanDerWaalsContact O-CG 3.26Å; V40-L44 WeakPolarHBondContact O-CG 3.49Å; V40-L44 PolarHBondContact O-N 3.45Å
41L98.3Very high97.5Very high115 Ų115109.5 Ų109.560%0.60252%0.524SS*.Hα-helixtrans-64.5-39.4174.5-74.9168.1000112.1M37 V38 S39 L44 E45M37-L41 WeakPolarHBondContact O-CB 3.45Å; M37-L41 VanDerWaalsContact O-CG 3.25Å; M37-L41 WeakPolarHBondContact O-CG 3.31Å; M37-L41 PolarHBondContact O-N 3Å; V38-L41 PolarHBondContact O-N 2.93Å; S39-L41 VanDerWaalsContact C-N 3.33Å; S39-L41 PolarHBondContact O-N 2.88Å; L41-L44 PolarHBondContact O-N 2.87Å; L41-E45 WeakPolarHBondContact O-CB 3.44Å; L41-E45 PolarHBondContact O-N 3.2Å
42G97.9Very high97.7Very high38 Ų38107.4 Ų107.439%0.39252%0.521SS..Hα-helixtrans-64.4-41.3173.800000113.2V38 S39 E45 Y46V38-G42 PolarHBondContact O-N 2.78Å; S39-G42 PolarHBondContact O-N 2.89Å; S39-G42 VanDerWaalsContact O-N 3.15Å; G42-E45 PolarHBondContact O-N 3.07Å; G42-Y46 PolarHBondContact O-N 3.33Å
43E97.8Very high97.8Very high126 Ų126108.4 Ų108.459%0.58953%0.529SS*.Hα-helixtrans-62.5-42.4173.5-72.3177.7-163.800112S39 V40 Y46 L47S39-E43 PolarHBondContact O-N 3.47Å; V40-E43 PolarHBondContact O-N 2.95Å; E43-Y46 PolarHBondContact O-N 3.4Å; E43-L47 WeakPolarHBondContact O-CB 3.42Å; E43-L47 VanDerWaalsContact O-CG 3.31Å; E43-L47 WeakPolarHBondContact O-CG 3.4Å; E43-L47 PolarHBondContact O-N 3.32Å
44L98.3Very high97.8Very high98 Ų98106.1 Ų106.151%0.51353%0.528SS..Hα-helixtrans-66-35.2176.1-71.4170.2000112.7V40 L41 R48V40-L44 HydrophobicContact CG1-CD1 4.02Å; V40-L44 HydrophobicContact CG1-CG 4.44Å; V40-L44 WeakPolarHBondContact O-CB 3.41Å; V40-L44 VanDerWaalsContact O-CG 3.26Å; V40-L44 WeakPolarHBondContact O-CG 3.49Å; V40-L44 PolarHBondContact O-N 3.45Å; L41-L44 PolarHBondContact O-N 2.87Å; L44-R48 WeakPolarHBondContact O-CB 3.5Å; L44-R48 PolarHBondContact O-N 3.04Å
45E98.1Very high97.8Very high103 Ų103105.1 Ų105.148%0.48153%0.525SS..Hα-helixtrans-70.5-38.5174.5-178.9159.3-124.200112.6L41 G42 R48 H49L41-E45 WeakPolarHBondContact O-CB 3.44Å; L41-E45 PolarHBondContact O-N 3.2Å; G42-E45 PolarHBondContact O-N 3.07Å; E45-R48 PolarHBondContact O-N 3.09Å; E45-H49 PolarHBondContact O-N 3.26Å; E45-H49 PolarHBondContact O-ND1 3.22Å
46Y98.1Very high97.8Very high147 Ų147105.1 Ų105.158%0.57653%0.528SS*.Hα-helixtrans-63-46171.5171.2-99.6000111.8G42 E43 R48 H49 R50G42-Y46 PolarHBondContact O-N 3.33Å; E43-Y46 PolarHBondContact O-N 3.4Å; Y46-R48 VanDerWaalsContact C-N 3.33Å; Y46-R48 PolarHBondContact O-N 2.92Å; Y46-H49 PolarHBondContact O-N 3.16Å; Y46-R50 WeakPolarHBondContact O-CB 3.46Å; Y46-R50 PolarHBondContact O-N 3.28Å
47L98.3Very high97.6Very high93 Ų93102.7 Ų102.749%0.48752%0.52SS..Hα-helixtrans-62.6-39.4176.4-72.5172.6000111.8E43 R50 Q51E43-L47 WeakPolarHBondContact O-CB 3.42Å; E43-L47 VanDerWaalsContact O-CG 3.31Å; E43-L47 WeakPolarHBondContact O-CG 3.4Å; E43-L47 PolarHBondContact O-N 3.32Å; L47-R50 PolarHBondContact O-N 3.18Å; L47-Q51 WeakPolarHBondContact O-CB 3.42Å; L47-Q51 PolarHBondContact O-N 3.37Å
48R98.3Very high97.3Very high160 Ų160100.8 Ų100.860%0.60452%0.52SS*.Hα-helixtrans-59.9-49.6173.6-168-161.4-52.4-178.47.6111.6L44 E45 Y46 R50 Q51 Q52L44-R48 WeakPolarHBondContact O-CB 3.5Å; L44-R48 PolarHBondContact O-N 3.04Å; E45-R48 PolarHBondContact O-N 3.09Å; Y46-R48 VanDerWaalsContact C-N 3.33Å; Y46-R48 PolarHBondContact O-N 2.92Å; R48-R50 VanDerWaalsContact C-N 3.34Å; R48-R50 PolarHBondContact O-N 3Å; R48-Q51 PolarHBondContact O-N 3.01Å; R48-Q52 WeakPolarHBondContact O-CB 3.35Å; R48-Q52 PolarHBondContact O-N 2.89Å
49H98.3Very high96.9Very high99 Ų99100.1 Ų100.146%0.45851%0.512SS..Hα-helixtrans-60.8-42.5177.1-83.489.9000112E45 Y46 Q51 Q52 L53E45-H49 PolarHBondContact O-N 3.26Å; E45-H49 PolarHBondContact O-ND1 3.22Å; Y46-H49 PolarHBondContact O-N 3.16Å; H49-Q51 PolarHBondContact O-N 3.42Å; H49-Q52 PolarHBondContact O-N 3.48Å; H49-L53 WeakPolarHBondContact O-CG 3.4Å; H49-L53 PolarHBondContact O-N 3.27Å
50R98.3Very high96.3Very high143 Ų143103.8 Ų103.854%0.5452%0.52SS..Hα-helixtrans-61.4-43.1175.7-177.7176.2174.6177.3-2.4111.9Y46 L47 R48 L53 L54Y46-R50 WeakPolarHBondContact O-CB 3.46Å; Y46-R50 PolarHBondContact O-N 3.28Å; L47-R50 PolarHBondContact O-N 3.18Å; R48-R50 VanDerWaalsContact C-N 3.34Å; R48-R50 PolarHBondContact O-N 3Å; R50-L53 PolarHBondContact O-N 3.23Å; R50-L54 HydrophobicContact CG-CD1 4.36Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 3.04Å; R50-L54 VanDerWaalsContact O-N 3.09Å
51Q98Very high95.1Very high135 Ų135106.3 Ų106.363%0.63153%0.526SS*.Hα-helixtrans-67.8-40.2177.1-171.9173.22.400111.9L47 R48 H49 L53 L54 V55L47-Q51 WeakPolarHBondContact O-CB 3.42Å; L47-Q51 PolarHBondContact O-N 3.37Å; R48-Q51 PolarHBondContact O-N 3.01Å; H49-Q51 PolarHBondContact O-N 3.42Å; Q51-L53 VanDerWaalsContact C-N 3.35Å; Q51-L53 PolarHBondContact O-N 2.7Å; Q51-L54 PolarHBondContact O-N 3.14Å; Q51-V55 WeakPolarHBondContact O-CG2 3.39Å; Q51-V55 PolarHBondContact O-N 2.91Å
52Q97.9Very high93.6Very high104 Ų104106.6 Ų106.649%0.48653%0.525SS..Hα-helixtrans-60.2-43.4174.7-176.5178.7-1.100111.7R48 H49 V55 L56R48-Q52 WeakPolarHBondContact O-CB 3.35Å; R48-Q52 PolarHBondContact O-N 2.89Å; H49-Q52 PolarHBondContact O-N 3.48Å; Q52-V55 PolarHBondContact O-N 3.12Å; Q52-L56 HydrophobicContact CG-CD1 4.07Å; Q52-L56 WeakPolarHBondContact O-CB 3.36Å; Q52-L56 VanDerWaalsContact O-CG 3.27Å; Q52-L56 WeakPolarHBondContact O-CG 3.46Å; Q52-L56 PolarHBondContact O-N 3.49Å
53L97.3Very high92.2Very high121 Ų121108.7 Ų108.763%0.63453%0.53SS*.Hα-helixtrans-62.7-41174.9-72.3171.4000112.2H49 R50 Q51 L56 S57H49-L53 WeakPolarHBondContact O-CG 3.4Å; H49-L53 PolarHBondContact O-N 3.27Å; R50-L53 PolarHBondContact O-N 3.23Å; Q51-L53 VanDerWaalsContact C-N 3.35Å; Q51-L53 PolarHBondContact O-N 2.7Å; L53-L56 PolarHBondContact O-N 2.92Å; L53-S57 PolarHBondContact O-N 3.46Å; L53-S57 PolarHBondContact O-OG 3.12Å; L53-S57 VanDerWaalsContact O-OG 3.12Å
54L97.2Very high90.6Very high105 Ų105108.5 Ų108.555%0.5553%0.527SS..Hα-helixtrans-64.4-41.7176.9-72.7168.1000112.5R50 Q51 S57 A58R50-L54 HydrophobicContact CG-CD1 4.36Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 3.04Å; R50-L54 VanDerWaalsContact O-N 3.09Å; Q51-L54 PolarHBondContact O-N 3.14Å; L54-S57 WeakPolarHBondContact CA-OG 3.44Å; L54-S57 PolarHBondContact O-N 2.9Å; L54-S57 PolarHBondContact O-OG 3.19Å; L54-A58 PolarHBondContact O-N 2.9Å
55V97.1Very high88.9Confident74 Ų74110 Ų11045%0.44853%0.531SS..Hα-helixtrans-64.8-44174.5171.20000110.9Q51 Q52 S57 A58 L59Q51-V55 WeakPolarHBondContact O-CG2 3.39Å; Q51-V55 PolarHBondContact O-N 2.91Å; Q52-V55 PolarHBondContact O-N 3.12Å; V55-S57 VanDerWaalsContact C-N 3.32Å; V55-S57 PolarHBondContact O-N 2.97Å; V55-A58 PolarHBondContact O-N 2.79Å; V55-L59 HydrophobicContact CG1-CD1 3.81Å; V55-L59 HydrophobicContact CG1-CG 4.33Å; V55-L59 WeakPolarHBondContact O-CG 3.42Å; V55-L59 PolarHBondContact O-N 3.42Å
56L95.9Very high87.1Confident97 Ų97108.1 Ų108.151%0.50853%0.534SS..Hα-helixtrans-65.8-30.5176.7-72.1171.8000113.1Q52 L53 K60Q52-L56 HydrophobicContact CG-CD1 4.07Å; Q52-L56 WeakPolarHBondContact O-CB 3.36Å; Q52-L56 VanDerWaalsContact O-CG 3.27Å; Q52-L56 WeakPolarHBondContact O-CG 3.46Å; Q52-L56 PolarHBondContact O-N 3.49Å; L53-L56 PolarHBondContact O-N 2.92Å; L56-K60 WeakPolarHBondContact O-CB 3.4Å; L56-K60 PolarHBondContact O-N 3.31Å
57S92.9Very high85.3Confident62 Ų62109.8 Ų109.843%0.43454%0.539SS..Hα-helixtrans-70.3-44.6170.245.80000112.3L53 L54 V55 K60 E61L53-S57 PolarHBondContact O-N 3.46Å; L53-S57 PolarHBondContact O-OG 3.12Å; L53-S57 VanDerWaalsContact O-OG 3.12Å; L54-S57 WeakPolarHBondContact CA-OG 3.44Å; L54-S57 PolarHBondContact O-N 2.9Å; L54-S57 PolarHBondContact O-OG 3.19Å; V55-S57 VanDerWaalsContact C-N 3.32Å; V55-S57 PolarHBondContact O-N 2.97Å; S57-K60 CarbonylContact O-C 3.57Å; S57-K60 PolarHBondContact O-N 3.31Å; S57-E61 PolarHBondContact O-N 2.97Å
58A92.4Very high83.6Confident54 Ų54108.7 Ų108.745%0.44654%0.538SS..Hα-helixtrans-62.3-48.9-179.600000112L54 V55 K60 E61 E62L54-A58 PolarHBondContact O-N 2.9Å; V55-A58 PolarHBondContact O-N 2.79Å; A58-K60 PolarHBondContact O-N 3.42Å; A58-E61 WeakPolarHBondContact O-CA 3.2Å; A58-E61 WeakPolarHBondContact O-CB 3.25Å; A58-E61 PolarHBondContact O-N 2.99Å; A58-E62 PolarHBondContact O-N 3.11Å
59L89.4Confident81.7Confident87 Ų87105.9 Ų105.946%0.45554%0.535SS..Hα-helixtrans-60-32.2175.6-67.5170.3000112.4V55 E61 V63V55-L59 HydrophobicContact CG1-CD1 3.81Å; V55-L59 HydrophobicContact CG1-CG 4.33Å; V55-L59 WeakPolarHBondContact O-CG 3.42Å; V55-L59 PolarHBondContact O-N 3.42Å; L59-E61 VanDerWaalsContact C-N 3.33Å; L59-V63 WeakPolarHBondContact O-CB 3.47Å; L59-V63 WeakPolarHBondContact O-CG2 3.47Å; L59-V63 PolarHBondContact O-N 3.25Å; L59-V63 VanDerWaalsContact O-N 3.13Å
60K84.4Confident80.2Confident144 Ų144103.8 Ų103.863%0.62654%0.535SS*.Hα-helixtrans-79.2-15.3176.4-173.8169.7-178175.10113.3L56 S57 A58 K64L56-K60 WeakPolarHBondContact O-CB 3.4Å; L56-K60 PolarHBondContact O-N 3.31Å; S57-K60 CarbonylContact O-C 3.57Å; S57-K60 PolarHBondContact O-N 3.31Å; A58-K60 PolarHBondContact O-N 3.42Å; K60-K64 WeakPolarHBondContact O-CD 3.33Å; K60-K64 VanDerWaalsContact O-CG 3.27Å; K60-K64 WeakPolarHBondContact O-CG 3.2Å
61E72.5Confident78.7Confident127 Ų127102.5 Ų102.559%0.59354%0.535SS*.Hα-helixtrans-87.2-48.4174.3-162.3143.3-126.400109.6S57 A58 L59 V63 K64 E65S57-E61 PolarHBondContact O-N 2.97Å; A58-E61 WeakPolarHBondContact O-CA 3.2Å; A58-E61 WeakPolarHBondContact O-CB 3.25Å; A58-E61 PolarHBondContact O-N 2.99Å; L59-E61 VanDerWaalsContact C-N 3.33Å; E61-V63 PolarHBondContact O-N 2.96Å; E61-K64 WeakPolarHBondContact O-CA 3.33Å; E61-K64 WeakPolarHBondContact O-CB 3.25Å; E61-K64 PolarHBondContact O-N 2.93Å; E61-E65 PolarHBondContact O-N 2.87Å
62E67.7Low77.1Confident122 Ų122100.8 Ų100.857%0.5753%0.53SS*.Hα-helixtrans-53.6-46.7172.1-174.4173.9-152.600112.5A58 K64 E65 A66A58-E62 PolarHBondContact O-N 3.11Å; E62-K64 PolarHBondContact O-N 2.94Å; E62-E65 PolarHBondContact O-N 3.03Å; E62-A66 WeakPolarHBondContact O-CB 3.49Å; E62-A66 PolarHBondContact O-N 3.47Å
63V68Low75.7Confident81 Ų8198.7 Ų98.749%0.49153%0.527SS..Hα-helixtrans-69.2-16.8176.2170.90000113.4L59 E61 R67L59-V63 WeakPolarHBondContact O-CB 3.47Å; L59-V63 WeakPolarHBondContact O-CG2 3.47Å; L59-V63 PolarHBondContact O-N 3.25Å; L59-V63 VanDerWaalsContact O-N 3.13Å; E61-V63 PolarHBondContact O-N 2.96Å; V63-R67 VanDerWaalsContact O-CD 3.27Å; V63-R67 WeakPolarHBondContact O-CD 3.42Å; V63-R67 WeakPolarHBondContact O-CG 3.29Å
64K65Low74.3Confident122 Ų12296.4 Ų96.453%0.5352%0.52SS..Hα-helixtrans-85-47.4170.1-74.8168.9177.1-178.40111.4K60 E61 E62 R67 C68K60-K64 WeakPolarHBondContact O-CD 3.33Å; K60-K64 VanDerWaalsContact O-CG 3.27Å; K60-K64 WeakPolarHBondContact O-CG 3.2Å; E61-K64 WeakPolarHBondContact O-CA 3.33Å; E61-K64 WeakPolarHBondContact O-CB 3.25Å; E61-K64 PolarHBondContact O-N 2.93Å; E62-K64 PolarHBondContact O-N 2.94Å; K64-R67 CarbonylContact O-C 3.58Å; K64-R67 WeakPolarHBondContact O-CB 3.46Å; K64-R67 PolarHBondContact O-N 3.27Å; K64-C68 PolarHBondContact O-N 3.26Å; K64-C68 PolarHBondContact O-SG 3.28Å
65E60.9Low73.5Confident129 Ų12996 Ų9660%0.60352%0.515SS*.Hα-helixtrans-58.4-51.3-177.1-162.8160.6-147.700109.9E61 E62 R67 C68 D69E61-E65 PolarHBondContact O-N 2.87Å; E62-E65 PolarHBondContact O-N 3.03Å; E65-R67 PolarHBondContact O-N 3.19Å; E65-R67 VanDerWaalsContact O-N 3.15Å; E65-C68 PolarHBondContact O-N 3.31Å; E65-C68 VanDerWaalsContact O-N 3.09Å; E65-D69 PolarHBondContact O-N 2.79Å
66A61.6Low72.8Confident65 Ų6599.1 Ų99.154%0.53753%0.525SS..Hα-helixtrans-59.6-28.2174.500000114.4E62 A70E62-A66 WeakPolarHBondContact O-CB 3.49Å; E62-A66 PolarHBondContact O-N 3.47Å; A66-A70 VanDerWaalsContact O-CB 3.29Å; A66-A70 WeakPolarHBondContact O-CB 3.45Å; A66-A70 PolarHBondContact O-N 3.42Å
67R60.3Low72.4Confident182 Ų18298.8 Ų98.869%0.68752%0.523SS*.Hα-helixtrans-80.1-38.1174.7-77.1179.8-178.9-146.5-2.1112.4V63 K64 E65 Q71V63-R67 VanDerWaalsContact O-CD 3.27Å; V63-R67 WeakPolarHBondContact O-CD 3.42Å; V63-R67 WeakPolarHBondContact O-CG 3.29Å; K64-R67 CarbonylContact O-C 3.58Å; K64-R67 WeakPolarHBondContact O-CB 3.46Å; K64-R67 PolarHBondContact O-N 3.27Å; E65-R67 PolarHBondContact O-N 3.19Å; E65-R67 VanDerWaalsContact O-N 3.15Å; R67-Q71 VanDerWaalsContact O-CB 3.26Å; R67-Q71 WeakPolarHBondContact O-CB 3.35Å; R67-Q71 PolarHBondContact O-N 2.93Å
68C61.3Low72.4Confident70 Ų7099.4 Ų99.447%0.47352%0.521SS..Hα-helixtrans-65-46.4175.9-73.30000110.8K64 E65 Q71 L72K64-C68 PolarHBondContact O-N 3.26Å; K64-C68 PolarHBondContact O-SG 3.28Å; E65-C68 PolarHBondContact O-N 3.31Å; E65-C68 VanDerWaalsContact O-N 3.09Å; C68-Q71 PolarHBondContact O-N 3.42Å; C68-L72 WeakPolarHBondContact O-CB 3.41Å; C68-L72 VanDerWaalsContact O-CG 3.28Å; C68-L72 WeakPolarHBondContact O-CG 3.28Å; C68-L72 PolarHBondContact O-N 3.27Å
69D60.2Low72.3Confident101 Ų101102.1 Ų102.154%0.5453%0.527SS..Hα-helixtrans-65-43.3179.9-68.5-14.1000111.9E65 Q71 S73E65-D69 PolarHBondContact O-N 2.79Å; D69-Q71 PolarHBondContact O-N 3.42Å; D69-S73 VanDerWaalsContact O-CB 3.25Å; D69-S73 WeakPolarHBondContact O-CB 3.41Å; D69-S73 PolarHBondContact O-N 3Å
70A65.6Low72.4Confident54 Ų54101.6 Ų101.645%0.44653%0.528SS..Hα-helixtrans-62-41.3173.800000112.1A66 C74A66-A70 VanDerWaalsContact O-CB 3.29Å; A66-A70 WeakPolarHBondContact O-CB 3.45Å; A66-A70 PolarHBondContact O-N 3.42Å; A70-C74 WeakPolarHBondContact O-CB 3.44Å; A70-C74 PolarHBondContact O-N 3.49Å; A70-C74 PolarHBondContact O-SG 2.95Å
71Q67.2Low72.8Confident117 Ų11799.3 Ų99.355%0.54752%0.522SS..Hα-helixtrans-69.5-44.7179.2-176.6173.7-21.700112.2R67 C68 D69 C74 E75R67-Q71 VanDerWaalsContact O-CB 3.26Å; R67-Q71 WeakPolarHBondContact O-CB 3.35Å; R67-Q71 PolarHBondContact O-N 2.93Å; C68-Q71 PolarHBondContact O-N 3.42Å; D69-Q71 PolarHBondContact O-N 3.42Å; Q71-C74 PolarHBondContact O-N 3.48Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.2Å; Q71-E75 PolarHBondContact NE2-OE1 3.34Å; Q71-E75 WeakPolarHBondContact O-CG 3.42Å; Q71-E75 PolarHBondContact O-N 3.44Å
72L65.3Low73.7Confident99 Ų99101.2 Ų101.252%0.51852%0.524SS..Hα-helixtrans-61.7-44.8177.1-71.5169000111.1C68 C74 E75 E76C68-L72 WeakPolarHBondContact O-CB 3.41Å; C68-L72 VanDerWaalsContact O-CG 3.28Å; C68-L72 WeakPolarHBondContact O-CG 3.28Å; C68-L72 PolarHBondContact O-N 3.27Å; L72-C74 VanDerWaalsContact C-N 3.34Å; L72-C74 PolarHBondContact O-N 3.12Å; L72-E75 PolarHBondContact O-N 2.92Å; L72-E76 WeakPolarHBondContact O-CG 3.45Å; L72-E76 PolarHBondContact O-N 3.21Å
73S67.6Low74.8Confident60 Ų60102.8 Ų102.842%0.4253%0.529SS..Hα-helixtrans-57.3-44.5173.1178.80000112.2D69 N77D69-S73 VanDerWaalsContact O-CB 3.25Å; D69-S73 WeakPolarHBondContact O-CB 3.41Å; D69-S73 PolarHBondContact O-N 3Å; S73-N77 WeakPolarHBondContact O-CB 3.43Å; S73-N77 PolarHBondContact O-N 3.42Å; S73-N77 PolarHBondContact O-ND2 2.97Å
74C67.1Low75.9Confident73 Ų73104 Ų10449%0.49353%0.529SS..Hα-helixtrans-63.6-42.8175.5-750000112.6A70 Q71 L72 N77 I78A70-C74 WeakPolarHBondContact O-CB 3.44Å; A70-C74 PolarHBondContact O-N 3.49Å; A70-C74 PolarHBondContact O-SG 2.95Å; Q71-C74 PolarHBondContact O-N 3.48Å; L72-C74 VanDerWaalsContact C-N 3.34Å; L72-C74 PolarHBondContact O-N 3.12Å; C74-N77 PolarHBondContact O-N 2.89Å; C74-I78 WeakPolarHBondContact O-CB 3.27Å; C74-I78 WeakPolarHBondContact O-CD1 3.24Å; C74-I78 WeakPolarHBondContact O-CG1 3.2Å; C74-I78 PolarHBondContact O-N 3.25Å
75E80.4Confident77Confident97 Ų97102.8 Ų102.845%0.45353%0.528SS..Hα-helixtrans-65.6-40.6178.8-73.3179.4-155.700112.2Q71 L72 I78 L79Q71-E75 WeakPolarHBondContact CG-OE1 3.2Å; Q71-E75 PolarHBondContact NE2-OE1 3.34Å; Q71-E75 WeakPolarHBondContact O-CG 3.42Å; Q71-E75 PolarHBondContact O-N 3.44Å; L72-E75 PolarHBondContact O-N 2.92Å; E75-I78 PolarHBondContact O-N 2.98Å; E75-L79 WeakPolarHBondContact O-CG 3.4Å; E75-L79 PolarHBondContact O-N 3.03Å
76E82.6Confident78.1Confident138 Ų13899.4 Ų99.465%0.64552%0.519SS*.Hα-helixtrans-63.6-45.9173.2-72.3-170.1164.200112.2L72 I78 L79 V80L72-E76 WeakPolarHBondContact O-CG 3.45Å; L72-E76 PolarHBondContact O-N 3.21Å; E76-I78 VanDerWaalsContact C-N 3.33Å; E76-I78 PolarHBondContact O-N 3.22Å; E76-L79 WeakPolarHBondContact O-CB 3.42Å; E76-L79 PolarHBondContact O-N 3.04Å; E76-L79 VanDerWaalsContact O-N 3.12Å; E76-V80 WeakPolarHBondContact O-CG2 3.35Å; E76-V80 PolarHBondContact O-N 2.93Å
77N88.2Confident79Confident90 Ų9098.6 Ų98.648%0.48151%0.508SS..Hα-helixtrans-61.8-40176.5-80.8-67.3000112S73 C74 L79 V80 L81S73-N77 WeakPolarHBondContact O-CB 3.43Å; S73-N77 PolarHBondContact O-N 3.42Å; S73-N77 PolarHBondContact O-ND2 2.97Å; C74-N77 PolarHBondContact O-N 2.89Å; N77-L79 VanDerWaalsContact C-N 3.31Å; N77-L79 PolarHBondContact O-N 3.48Å; N77-V80 PolarHBondContact O-N 3.25Å; N77-L81 WeakPolarHBondContact O-CB 3.44Å; N77-L81 WeakPolarHBondContact O-CG 3.36Å; N77-L81 PolarHBondContact O-N 3.17Å
78I92.5Very high79.9Confident76 Ų7695.3 Ų95.339%0.3950%0.504SS..Hα-helixtrans-62.7-37.5174.1-72.2165.2000111.3C74 E75 E76 R82C74-I78 WeakPolarHBondContact O-CB 3.27Å; C74-I78 WeakPolarHBondContact O-CD1 3.24Å; C74-I78 WeakPolarHBondContact O-CG1 3.2Å; C74-I78 PolarHBondContact O-N 3.25Å; E75-I78 PolarHBondContact O-N 2.98Å; E76-I78 VanDerWaalsContact C-N 3.33Å; E76-I78 PolarHBondContact O-N 3.22Å; I78-R82 WeakPolarHBondContact O-CB 3.2Å; I78-R82 WeakPolarHBondContact O-CG 3.26Å; I78-R82 PolarHBondContact O-N 2.97Å
79L90.9Very high80.5Confident110 Ų110101.6 Ų101.658%0.57652%0.517SS*.Hα-helixtrans-68.3-39.7174.9-72.3168.3000112.3E75 E76 N77 R82 K83E75-L79 WeakPolarHBondContact O-CG 3.4Å; E75-L79 PolarHBondContact O-N 3.03Å; E76-L79 WeakPolarHBondContact O-CB 3.42Å; E76-L79 PolarHBondContact O-N 3.04Å; E76-L79 VanDerWaalsContact O-N 3.12Å; N77-L79 VanDerWaalsContact C-N 3.31Å; N77-L79 PolarHBondContact O-N 3.48Å; L79-R82 PolarHBondContact O-N 3.14Å; L79-K83 WeakPolarHBondContact O-CB 3.29Å; L79-K83 PolarHBondContact O-N 3.37Å
80V92Very high81Confident76 Ų76103.7 Ų103.746%0.46152%0.518SS..Hα-helixtrans-62.9-48.4174.3172.80000111E76 N77 R82 K83 Q84E76-V80 WeakPolarHBondContact O-CG2 3.35Å; E76-V80 PolarHBondContact O-N 2.93Å; N77-V80 PolarHBondContact O-N 3.25Å; V80-R82 PolarHBondContact O-N 2.85Å; V80-K83 WeakPolarHBondContact O-CB 3.5Å; V80-K83 PolarHBondContact O-N 3.2Å; V80-K83 VanDerWaalsContact O-N 3.12Å; V80-Q84 WeakPolarHBondContact O-CG 3.37Å; V80-Q84 PolarHBondContact O-N 3.41Å
81L92.3Very high81Confident97 Ų97105.4 Ų105.451%0.50852%0.519SS..Hα-helixtrans-61-43.2177.2-72.5167.7000112N77 K83 Q84 L85N77-L81 WeakPolarHBondContact O-CB 3.44Å; N77-L81 WeakPolarHBondContact O-CG 3.36Å; N77-L81 PolarHBondContact O-N 3.17Å; L81-K83 VanDerWaalsContact C-N 3.31Å; L81-K83 PolarHBondContact O-N 2.85Å; L81-Q84 PolarHBondContact O-N 2.82Å; L81-L85 WeakPolarHBondContact O-CB 3.37Å; L81-L85 WeakPolarHBondContact O-CG 3.31Å; L81-L85 PolarHBondContact O-N 2.93Å
82R90.4Very high80.7Confident167 Ų167101.7 Ų101.763%0.6351%0.509SS*.Hα-helixtrans-61.6-37.2173.7-76.5171.2177.4174.61.3112.4I78 L79 V80 S86I78-R82 WeakPolarHBondContact O-CB 3.2Å; I78-R82 WeakPolarHBondContact O-CG 3.26Å; I78-R82 PolarHBondContact O-N 2.97Å; L79-R82 PolarHBondContact O-N 3.14Å; V80-R82 PolarHBondContact O-N 2.85Å; R82-S86 WeakPolarHBondContact O-CB 3.39Å; R82-S86 PolarHBondContact O-N 3.41Å
83K90.8Very high80.8Confident155 Ų15598.3 Ų98.367%0.67450%0.498SS*.Hα-helixtrans-68.5-41.9175.8-171.3-177.3177.3-1760111.9L79 V80 L81 S86 C87L79-K83 WeakPolarHBondContact O-CB 3.29Å; L79-K83 PolarHBondContact O-N 3.37Å; V80-K83 WeakPolarHBondContact O-CB 3.5Å; V80-K83 PolarHBondContact O-N 3.2Å; V80-K83 VanDerWaalsContact O-N 3.12Å; L81-K83 VanDerWaalsContact C-N 3.31Å; L81-K83 PolarHBondContact O-N 2.85Å; K83-S86 WeakPolarHBondContact O-CB 3.34Å; K83-S86 PolarHBondContact O-N 2.99Å; K83-C87 PolarHBondContact O-N 3.3Å; K83-C87 PolarHBondContact O-SG 3.13Å
84Q91.3Very high81.1Confident107 Ų10799.2 Ų99.250%0.550%0.501SS..Hα-helixtrans-63.4-47.5174.8-73.3172.2-28.700111.6V80 L81 S86 C87 L88V80-Q84 WeakPolarHBondContact O-CG 3.37Å; V80-Q84 PolarHBondContact O-N 3.41Å; L81-Q84 PolarHBondContact O-N 2.82Å; Q84-S86 PolarHBondContact O-N 2.91Å; Q84-C87 WeakPolarHBondContact O-CA 3.17Å; Q84-C87 WeakPolarHBondContact O-CB 3.25Å; Q84-C87 PolarHBondContact O-N 3.41Å; Q84-L88 PolarHBondContact O-N 3.35Å
85L89.6Confident81.4Confident95 Ų95101.6 Ų101.650%0.49751%0.507SS..Hα-helixtrans-61.5-31.5173.6-72168.4000112.4L81 R89L81-L85 WeakPolarHBondContact O-CB 3.37Å; L81-L85 WeakPolarHBondContact O-CG 3.31Å; L81-L85 PolarHBondContact O-N 2.93Å; L85-R89 VanDerWaalsContact O-CB 3.25Å; L85-R89 WeakPolarHBondContact O-CB 3.23Å; L85-R89 WeakPolarHBondContact O-CG 3.43Å; L85-R89 PolarHBondContact O-N 3.05Å
86S84Confident81.4Confident59 Ų59100.5 Ų100.541%0.41351%0.51SS..Hα-helixtrans-70.2-28.6171.7176.20000113.3R82 K83 Q84 R90R82-S86 WeakPolarHBondContact O-CB 3.39Å; R82-S86 PolarHBondContact O-N 3.41Å; K83-S86 WeakPolarHBondContact O-CB 3.34Å; K83-S86 PolarHBondContact O-N 2.99Å; Q84-S86 PolarHBondContact O-N 2.91Å; S86-R90 VanDerWaalsContact O-CZ 3.23Å; S86-R90 PolarHBondContact O-N 3.43Å; S86-R90 PolarHBondContact O-NE 3.09Å; S86-R90 VanDerWaalsContact O-NE 3.12Å; S86-R90 PolarHBondContact O-NH2 2.83Å
87C79.6Confident81.5Confident47 Ų4799.4 Ų99.432%0.31851%0.505SS..Hα-helixtrans-68.5-57168.9-65.70000110.6K83 Q84 R89 R90 D91K83-C87 PolarHBondContact O-N 3.3Å; K83-C87 PolarHBondContact O-SG 3.13Å; Q84-C87 WeakPolarHBondContact O-CA 3.17Å; Q84-C87 WeakPolarHBondContact O-CB 3.25Å; Q84-C87 PolarHBondContact O-N 3.41Å; C87-R89 PolarHBondContact O-N 2.9Å; C87-R89 VanDerWaalsContact O-N 3.11Å; C87-R90 VanDerWaalsContact CA-NH2 3.33Å; C87-R90 WeakPolarHBondContact O-CA 3.49Å; C87-R90 WeakPolarHBondContact O-CB 3.11Å; C87-R90 PolarHBondContact O-N 3.06Å; C87-R90 PolarHBondContact SG-NH2 3.28Å; C87-D91 VanDerWaalsContact C-OD2 3.29Å; C87-D91 PolarHBondContact O-N 3.37Å; C87-D91 VanDerWaalsContact O-OD2 3.07Å
88L78.3Confident81.3Confident114 Ų114100.8 Ų100.860%0.59751%0.512SS*.Hα-helixtrans-58.5-31.3-178.3-62.3170.8000112.9Q84 D91 A92Q84-L88 PolarHBondContact O-N 3.35Å; L88-D91 WeakPolarHBondContact CA-OD2 3.36Å; L88-D91 PolarHBondContact O-N 3.15Å; L88-A92 PolarHBondContact O-N 3.06Å
89R75.4Confident80.9Confident201 Ų201103.3 Ų103.376%0.75852%0.522SS*.Hα-helixtrans-78.2-12.8173.2-73.1176.9-179.8-137.40.5115.2L85 C87L85-R89 VanDerWaalsContact O-CB 3.25Å; L85-R89 WeakPolarHBondContact O-CB 3.23Å; L85-R89 WeakPolarHBondContact O-CG 3.43Å; L85-R89 PolarHBondContact O-N 3.05Å; C87-R89 PolarHBondContact O-N 2.9Å; C87-R89 VanDerWaalsContact O-N 3.11Å
90R69.8Low80.9Confident145 Ų145103.7 Ų103.755%0.54752%0.521SS..Hα-helixtrans-86.2-36.6164.5-81.6178.1-83.599.6-0.8110.7S86 C87 A92 G93S86-R90 VanDerWaalsContact O-CZ 3.23Å; S86-R90 PolarHBondContact O-N 3.43Å; S86-R90 PolarHBondContact O-NE 3.09Å; S86-R90 VanDerWaalsContact O-NE 3.12Å; S86-R90 PolarHBondContact O-NH2 2.83Å; C87-R90 VanDerWaalsContact CA-NH2 3.33Å; C87-R90 WeakPolarHBondContact O-CA 3.49Å; C87-R90 WeakPolarHBondContact O-CB 3.11Å; C87-R90 PolarHBondContact O-N 3.06Å; C87-R90 PolarHBondContact SG-NH2 3.28Å; R90-A92 PolarHBondContact O-N 3.32Å; R90-G93 PolarHBondContact O-N 3.15Å
91D65.2Low80.8Confident90 Ų90104.4 Ų104.448%0.48152%0.522SS..Hα-helixtrans-66.4-19.7173.9-47.8-34.1000111.3C87 L88 G93 V94C87-D91 VanDerWaalsContact C-OD2 3.29Å; C87-D91 PolarHBondContact O-N 3.37Å; C87-D91 VanDerWaalsContact O-OD2 3.07Å; L88-D91 WeakPolarHBondContact CA-OD2 3.36Å; L88-D91 PolarHBondContact O-N 3.15Å; D91-G93 PolarHBondContact O-N 2.8Å; D91-G93 VanDerWaalsContact O-N 3.16Å; D91-V94 VanDerWaalsContact O-CB 3.25Å; D91-V94 WeakPolarHBondContact O-CB 3.4Å; D91-V94 WeakPolarHBondContact O-CG2 3.35Å; D91-V94 PolarHBondContact O-N 2.75Å
92A62.3Low80.7Confident40 Ų40103.9 Ų103.933%0.33152%0.519SS..THydrogen-bonded Turntrans-60.9-13.4165.200000114.5L88 R90 V94 I95L88-A92 PolarHBondContact O-N 3.06Å; R90-A92 PolarHBondContact O-N 3.32Å; A92-V94 PolarHBondContact O-N 3.16Å; A92-I95 HydrophobicContact CB-CD1 4.15Å; A92-I95 VanDerWaalsContact O-CB 3.31Å; A92-I95 WeakPolarHBondContact O-CB 3.4Å; A92-I95 PolarHBondContact O-N 3.26Å
93G66.7Low80.6Confident27 Ų27100.8 Ų100.828%0.27851%0.512SS..Hα-helixtrans-60.7-31.1166.500000112.5R90 D91 I95 S96 E97R90-G93 PolarHBondContact O-N 3.15Å; D91-G93 PolarHBondContact O-N 2.8Å; D91-G93 VanDerWaalsContact O-N 3.16Å; G93-I95 PolarHBondContact O-N 2.83Å; G93-S96 PolarHBondContact O-N 3.15Å; G93-S96 VanDerWaalsContact O-N 3.14Å; G93-S96 PolarHBondContact O-OG 3.28Å; G93-E97 WeakPolarHBondContact O-CG 3.21Å; G93-E97 PolarHBondContact O-N 2.82Å
94V73.1Confident80.6Confident80 Ų8097.4 Ų97.449%0.48550%0.498SS..Hα-helixtrans-64.7-24.6173.2-174.40000111.2D91 A92 E97 L98D91-V94 VanDerWaalsContact O-CB 3.25Å; D91-V94 WeakPolarHBondContact O-CB 3.4Å; D91-V94 WeakPolarHBondContact O-CG2 3.35Å; D91-V94 PolarHBondContact O-N 2.75Å; A92-V94 PolarHBondContact O-N 3.16Å; V94-E97 PolarHBondContact O-N 3.14Å; V94-L98 WeakPolarHBondContact O-CB 3.48Å; V94-L98 PolarHBondContact O-N 3.46Å
95I74.2Confident80.4Confident122 Ų12296.1 Ų96.163%0.62649%0.494SS*.Hα-helixtrans-72.6-38.5175.5-55.5173.4000110.6A92 G93 L98 H99A92-I95 HydrophobicContact CB-CD1 4.15Å; A92-I95 VanDerWaalsContact O-CB 3.31Å; A92-I95 WeakPolarHBondContact O-CB 3.4Å; A92-I95 PolarHBondContact O-N 3.26Å; G93-I95 PolarHBondContact O-N 2.83Å; I95-L98 PolarHBondContact O-N 3.46Å; I95-H99 WeakPolarHBondContact O-CB 3.27Å; I95-H99 PolarHBondContact O-N 2.81Å
96S80.1Confident80.1Confident75 Ų7595 Ų9552%0.52449%0.489SS..Hα-helixtrans-66.6-40.1170.431.10000112.2G93 L98 H99 E100G93-S96 PolarHBondContact O-N 3.15Å; G93-S96 VanDerWaalsContact O-N 3.14Å; G93-S96 PolarHBondContact O-OG 3.28Å; S96-L98 VanDerWaalsContact C-N 3.33Å; S96-L98 PolarHBondContact O-N 2.8Å; S96-H99 PolarHBondContact O-N 3.47Å; S96-E100 WeakPolarHBondContact O-CB 3.27Å; S96-E100 PolarHBondContact O-N 2.74Å
97E84.6Confident80.1Confident115 Ų11598.3 Ų98.354%0.53750%0.498SS..Hα-helixtrans-63.2-38.5174.3-67166.7-177.200111.6G93 V94 E100 L101G93-E97 WeakPolarHBondContact O-CG 3.21Å; G93-E97 PolarHBondContact O-N 2.82Å; V94-E97 PolarHBondContact O-N 3.14Å; E97-E100 PolarHBondContact O-N 3.35Å; E97-L101 WeakPolarHBondContact O-CB 3.46Å; E97-L101 VanDerWaalsContact O-CG 3.31Å; E97-L101 WeakPolarHBondContact O-CG 3.27Å; E97-L101 PolarHBondContact O-N 2.79Å
98L84.6Confident80.1Confident118 Ų118102.7 Ų102.762%0.61852%0.517SS*.Hα-helixtrans-67.1-37.7175-139.378.2000112.5V94 I95 S96 L101 D102V94-L98 WeakPolarHBondContact O-CB 3.48Å; V94-L98 PolarHBondContact O-N 3.46Å; I95-L98 PolarHBondContact O-N 3.46Å; S96-L98 VanDerWaalsContact C-N 3.33Å; S96-L98 PolarHBondContact O-N 2.8Å; L98-L101 PolarHBondContact O-N 2.78Å; L98-D102 PolarHBondContact O-N 3.33Å
99H84.9Confident79.7Confident130 Ų130104.8 Ų104.860%0.60252%0.517SS*.Hα-helixtrans-71.3-36.1176.6-173.9-54000111.8I95 S96 D102 Q103I95-H99 WeakPolarHBondContact O-CB 3.27Å; I95-H99 PolarHBondContact O-N 2.81Å; S96-H99 PolarHBondContact O-N 3.47Å; H99-D102 PolarHBondContact O-N 3.01Å; H99-Q103 WeakPolarHBondContact O-CB 3.37Å; H99-Q103 PolarHBondContact O-N 2.77Å
100E90.4Very high78.7Confident117 Ų117103 Ų10355%0.54752%0.522SS..Hα-helixtrans-67-39.1173.1-169.5173.717100110.9S96 E97 Q103 Q104S96-E100 WeakPolarHBondContact O-CB 3.27Å; S96-E100 PolarHBondContact O-N 2.74Å; E97-E100 PolarHBondContact O-N 3.35Å; E100-Q103 PolarHBondContact O-N 3.03Å; E100-Q104 VanDerWaalsContact O-CG 3.29Å; E100-Q104 WeakPolarHBondContact O-CG 3.33Å; E100-Q104 PolarHBondContact O-N 2.79Å
101L89.9Confident77.7Confident92 Ų92104.6 Ų104.648%0.48254%0.535SS..Hα-helixtrans-65.8-41.7172.2-75.8168.1000113.1E97 L98 Q104 I105E97-L101 WeakPolarHBondContact O-CB 3.46Å; E97-L101 VanDerWaalsContact O-CG 3.31Å; E97-L101 WeakPolarHBondContact O-CG 3.27Å; E97-L101 PolarHBondContact O-N 2.79Å; L98-L101 PolarHBondContact O-N 2.78Å; L101-Q104 PolarHBondContact O-N 2.8Å; L101-I105 WeakPolarHBondContact O-CB 3.26Å; L101-I105 VanDerWaalsContact O-CG1 3.25Å; L101-I105 WeakPolarHBondContact O-CG1 3.38Å; L101-I105 PolarHBondContact O-N 3Å
102D88.9Confident77.2Confident85 Ų85105.9 Ų105.946%0.45555%0.549SS..Hα-helixtrans-65.2-40.9175.6-169.576.2000111.3L98 H99 Q104 I105 N106L98-D102 PolarHBondContact O-N 3.33Å; H99-D102 PolarHBondContact O-N 3.01Å; D102-Q104 PolarHBondContact O-N 3.27Å; D102-I105 PolarHBondContact O-N 3.31Å; D102-N106 VanDerWaalsContact O-CG 3.26Å; D102-N106 PolarHBondContact O-N 3.42Å; D102-N106 PolarHBondContact O-ND2 2.97Å; D102-N106 PolarHBondContact OD2-ND2 2.86Å
103Q89Confident76.4Confident103 Ų103112.8 Ų112.848%0.48157%0.574SS.*Hα-helixtrans-59.1-46.9172-176.6177.4-25.900111.4H99 E100 I105 N106 E107H99-Q103 WeakPolarHBondContact O-CB 3.37Å; H99-Q103 PolarHBondContact O-N 2.77Å; E100-Q103 PolarHBondContact O-N 3.03Å; Q103-I105 VanDerWaalsContact C-N 3.31Å; Q103-I105 PolarHBondContact O-N 2.88Å; Q103-N106 CarbonylContact O-C 3.5Å; Q103-N106 PolarHBondContact O-N 3.25Å; Q103-N106 VanDerWaalsContact O-N 3.11Å; Q103-E107 HydrophobicContact CG-CG 4.49Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.47Å; Q103-E107 PolarHBondContact NE2-OE1 3.18Å; Q103-E107 WeakPolarHBondContact O-CG 3.4Å; Q103-E107 PolarHBondContact O-N 3.23Å
104Q91.3Very high75.6Confident83 Ų83119.7 Ų119.739%0.38860%0.604SS.*Hα-helixtrans-61.9-36.5175.6-72.817217.500112.5E100 L101 D102 N106 E107 L108E100-Q104 VanDerWaalsContact O-CG 3.29Å; E100-Q104 WeakPolarHBondContact O-CG 3.33Å; E100-Q104 PolarHBondContact O-N 2.79Å; L101-Q104 PolarHBondContact O-N 2.8Å; D102-Q104 PolarHBondContact O-N 3.27Å; Q104-N106 VanDerWaalsContact C-N 3.33Å; Q104-E107 PolarHBondContact O-N 3.31Å; Q104-L108 VanDerWaalsContact O-CB 3.3Å; Q104-L108 WeakPolarHBondContact O-CB 3.41Å; Q104-L108 WeakPolarHBondContact O-CD1 3.36Å; Q104-L108 WeakPolarHBondContact O-CG 3.22Å; Q104-L108 PolarHBondContact O-N 2.96Å
105I87.1Confident74.6Confident80 Ų80119.5 Ų119.541%0.4161%0.611SS.*Hα-helixtrans-65.5-37.4174.1-72.4163.4000111L101 D102 Q103 R109L101-I105 WeakPolarHBondContact O-CB 3.26Å; L101-I105 VanDerWaalsContact O-CG1 3.25Å; L101-I105 WeakPolarHBondContact O-CG1 3.38Å; L101-I105 PolarHBondContact O-N 3Å; D102-I105 PolarHBondContact O-N 3.31Å; Q103-I105 VanDerWaalsContact C-N 3.31Å; Q103-I105 PolarHBondContact O-N 2.88Å; I105-R109 VanDerWaalsContact O-CG 3.27Å; I105-R109 WeakPolarHBondContact O-CG 3.38Å; I105-R109 PolarHBondContact O-N 2.93Å
106N82.6Confident73.2Confident73 Ų73121.8 Ų121.839%0.3962%0.618SS.*Hα-helixtrans-74.9-32.4177-64.5-38.6000112.5D102 Q103 Q104 R109D102-N106 VanDerWaalsContact O-CG 3.26Å; D102-N106 PolarHBondContact O-N 3.42Å; D102-N106 PolarHBondContact O-ND2 2.97Å; D102-N106 PolarHBondContact OD2-ND2 2.86Å; Q103-N106 CarbonylContact O-C 3.5Å; Q103-N106 PolarHBondContact O-N 3.25Å; Q103-N106 VanDerWaalsContact O-N 3.11Å; Q104-N106 VanDerWaalsContact C-N 3.33Å; N106-R109 PolarHBondContact O-N 2.93Å; N106-R109 PolarHBondContact OD1-NH1 2.78Å
107E83.1Confident71.3Confident127 Ų127124.9 Ų124.959%0.59363%0.629SS**Hα-helixtrans-71.7-31.1170.9-71.2173.3-166.700112.5Q103 Q104Q103-E107 HydrophobicContact CG-CG 4.49Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.47Å; Q103-E107 PolarHBondContact NE2-OE1 3.18Å; Q103-E107 WeakPolarHBondContact O-CG 3.4Å; Q103-E107 PolarHBondContact O-N 3.23Å; Q104-E107 PolarHBondContact O-N 3.31Å
108L81.2Confident69.8Low139 Ų139128 Ų12873%0.72864%0.644SS**Hα-helixtrans-80.4-15.8173.9-71.8168.8000113.5Q104 L110Q104-L108 VanDerWaalsContact O-CB 3.3Å; Q104-L108 WeakPolarHBondContact O-CB 3.41Å; Q104-L108 WeakPolarHBondContact O-CD1 3.36Å; Q104-L108 WeakPolarHBondContact O-CG 3.22Å; Q104-L108 PolarHBondContact O-N 2.96Å; L108-L110 VanDerWaalsContact C-N 3.32Å; L108-L110 PolarHBondContact O-N 3Å
109R68.4Low68.1Low158 Ų158129.8 Ų129.860%0.59665%0.653SS**SBendtrans-77.285167.9-79.2166.3175.1153.50.4108.8I105 N106 E111I105-R109 VanDerWaalsContact O-CG 3.27Å; I105-R109 WeakPolarHBondContact O-CG 3.38Å; I105-R109 PolarHBondContact O-N 2.93Å; N106-R109 PolarHBondContact O-N 2.93Å; N106-R109 PolarHBondContact OD1-NH1 2.78Å; R109-E111 VanDerWaalsContact C-N 3.34Å; R109-E111 PolarHBondContact O-N 3.01Å
110L54.6Low66.4Low164 Ų164132.8 Ų132.886%0.85967%0.667SS**  trans-58.691.6173.2-65.9171.9000110.9L108L108-L110 VanDerWaalsContact C-N 3.32Å; L108-L110 PolarHBondContact O-N 3Å
111E48.5Very low64.2Low178 Ų178133.3 Ų133.383%0.83268%0.679SS**PPolyproline II helixtrans-69.3131.7165-163.7162.8-159.700108.1R109 E113R109-E111 VanDerWaalsContact C-N 3.34Å; R109-E111 PolarHBondContact O-N 3.01Å; E111-E113 PolarHBondContact O-N 2.99Å
112P54.8Low62.1Low117 Ų117135.7 Ų135.776%0.7669%0.692SS**PPolyproline II helixtrans-70.6120.3-165.426.2-34.2000112L114P112-L114 PolarHBondContact O-N 3.29Å
113E47.3Very low60.2Low186 Ų186137.2 Ų137.287%0.86971%0.709SS**PPolyproline II helixtrans-57.3123.4175.6-67.3-174.3118.800111.6E111E111-E113 PolarHBondContact O-N 2.99Å
114L48.1Very low58.6Low171 Ų171143.6 Ų143.690%0.89573%0.729SS**  trans-12275.9164.2-102.3169.9000109.2P112P112-L114 PolarHBondContact O-N 3.29Å
115A52.8Low56.5Low77 Ų77145.4 Ų145.464%0.63675%0.748SS**  trans-13162-175.800000112
116H45.7Very low54.6Low169 Ų169147.1 Ų147.178%0.78277%0.767SS**  trans-161.3152153.1-97.363.8000105.3
117D39.4Very low53Low141 Ų141149.4 Ų149.475%0.75479%0.788SS**  cis-143.1163.816-144.6-28.6000112.2
118Q53Low51Low181 Ų181146.5 Ų146.585%0.84679%0.793SS**  trans-112.394177.8-176.9-167.8-25.500110.7
119L49.9Very low49.3Very low155 Ų155149.6 Ų149.681%0.81280%0.801SS**  trans-147.7124.7168.5-14879.3000113.3
120E48.6Very low48.2Very low193 Ų193150.4 Ų150.490%0.90281%0.805SS**  trans-83.5118.9161.2-66.5177.4109.700109.1
121T43.2Very low48Very low127 Ų127151.4 Ų151.478%0.77981%0.806SS**  trans-156.7133.9139.8-12.30000113.8
122D46.7Very low47.8Very low143 Ų143148.7 Ų148.777%0.76580%0.796SS**  trans-48.2135.6168.9173.530.8000115.4
123S49.2Very low47.5Very low116 Ų116147.9 Ų147.981%0.81179%0.793SS**  trans-174.4116.3138.5-81.60000112.4
124R54.4Low47.5Very low237 Ų237145.9 Ų145.989%0.89479%0.789SS**  trans-101.8140.5160.4-74.7-177.4171.8-169.8-2.1109.9
125P48.6Very low47.6Very low121 Ų121141 Ų14179%0.78678%0.78SS**  -122.2159.396.5-0.222000111.4
126S45.8Very low47.1Very low116 Ų116141.8 Ų141.881%0.81179%0.786SS**  cis77.5141.845.7-156.10000114.5
127S49.6Very low46.7Very low121 Ų121140 Ų14085%0.84679%0.792SS**  trans71.4118.2-170.5-160.60000115.7
128G42Very low46.4Very low67 Ų67136.8 Ų136.869%0.69179%0.792SS**  cis123.598-15.400000116.1
129F43.8Very low45.9Very low204 Ų204133.5 Ų133.590%0.89579%0.789SS**  trans-160.5130.1149.2-127.3-99000105.9
130Y46.5Very low45.5Very low175 Ų175133.5 Ų133.569%0.68679%0.79SS**  cis100.184.628.3-143.8-77.6000114.1L132Y130-L132 HydrophobicContact CD1-CD1 4.27Å; Y130-L132 HydrophobicContact CD1-CG 4.31Å; Y130-L132 HydrophobicContact CE1-CD1 3.41Å; Y130-L132 VanDerWaalsContact CE1-CD1 3.41Å; Y130-L132 HydrophobicContact CE1-CG 3.86Å
131E50.4Low44.9Very low185 Ų185129.3 Ų129.386%0.86478%0.781SS**  trans-172.8106143.2-102.4171163.700104.6
132L43.7Very low44.7Very low120 Ų120130.6 Ų130.663%0.62878%0.784SS**  59.1127.660.7-66.1-165.8000114.8Y130Y130-L132 HydrophobicContact CD1-CD1 4.27Å; Y130-L132 HydrophobicContact CD1-CG 4.31Å; Y130-L132 HydrophobicContact CE1-CD1 3.41Å; Y130-L132 VanDerWaalsContact CE1-CD1 3.41Å; Y130-L132 HydrophobicContact CE1-CG 3.86Å
133S48.2Very low44.5Very low100 Ų100127.9 Ų127.970%0.69978%0.776SS**  trans64.2138152.4-80.20000118.8
134D47.8Very low44.5Very low145 Ų145127.5 Ų127.578%0.77577%0.773SS**  cis-135.2157.7-2.6-83.4-42.2000109.7
135G50.6Low43.6Very low69 Ų69124.8 Ų124.871%0.71177%0.77SS**  7168.39100000110.7
136A41.9Very low43.5Very low92 Ų92123.4 Ų123.476%0.7676%0.763SS**  67.6120.177.600000113.9
137S36.5Very low43.4Very low132 Ų132123.6 Ų123.692%0.92376%0.759SS**  trans63.2172.7174.6-62.60000115.7
138G34.8Very low42.9Very low73 Ų73127.2 Ų127.275%0.75376%0.76SS**  trans107.774171.800000114.4
139S42.7Very low42.8Very low112 Ų112127.9 Ų127.978%0.78375%0.754SS**  trans-36.8142.6146.3-45.60000112.6
140L39.7Very low42.4Very low156 Ų156126.2 Ų126.282%0.81775%0.749SS**  -177119.1115.9-88.9161.8000106.4
141S36.4Very low42Very low104 Ų104122.3 Ų122.373%0.72775%0.746SS**  50.494.189.2-63.10000113.6
142N40.5Very low41.3Very low155 Ų155122.4 Ų122.483%0.82974%0.744SS**  trans-149.8144.6151.1-110.7-3.8000104.7
143S42.1Very low40.8Very low86 Ų86121.9 Ų121.960%0.60175%0.749SS**  cis150153.42.150.20000104.7
144S49.3Very low40.1Very low107 Ų107122.3 Ų122.375%0.74875%0.752SS**  cis-167.3128.6-15.1-94.80000109.6
145H34.1Very low39.6Very low181 Ų181121.7 Ų121.784%0.83875%0.754SS**  trans-160.1115146.1-111.655.2000106.9
146S46.3Very low39.1Very low91 Ų91122.1 Ų122.164%0.63675%0.751SS**  83.1120.884-65.80000111.5
147V44Very low38.7Very low121 Ų121125.3 Ų125.373%0.73376%0.755SS**  cis-153.2138.412.1-177.40000111
148F38.9Very low39Very low197 Ų197122.9 Ų122.986%0.86474%0.743SS**  trans58.7133.3164.3-80.9-138.5000118.2
149S40.6Very low39Very low80 Ų80128.1 Ų128.156%0.55975%0.748SS**  cis-151.3-135.4-5.1-67.80000109.5
150E35.8Very low38.6Very low170 Ų170125.8 Ų125.879%0.79474%0.741SS**  cis-158.4-129.74.2-154.667.588.600112.3
151C38.2Very low38.4Very low93 Ų93128.5 Ų128.563%0.62874%0.742SS**  trans-127.6160.6-159.9-66.20000114.2
152F35.1Very low38.3Very low187 Ų187132.4 Ų132.482%0.8275%0.746SS**  cis-166.8154.4-17.7-112.9-53.6000111.2
153C33.6Very low37.8Very low108 Ų108133.5 Ų133.573%0.7375%0.751SS**  trans63.2134.1163.1-58.50000119.4
154S33.9Very low37.4Very low110 Ų110134.5 Ų134.577%0.76976%0.759SS**  cis85.8144.933-49.20000113.8
155T37Very low36.5Very low131 Ų131134.1 Ų134.180%0.80476%0.756SS**  cis-159167.629.747.70000115.2
156A38.9Very low36.4Very low79 Ų79132.6 Ų132.665%0.65375%0.749SS**  trans72.4134.9143.800000121
157D34.8Very low36Very low159 Ų159136.7 Ų136.785%0.8576%0.758SS**  cis96.4146.238.3-65.8-36.5000112.7
158A42.7Very low35.7Very low80 Ų80139.4 Ų139.466%0.66177%0.768SS**  cis-168.9175.3-18.500000110.9
159E34Very low35.3Very low183 Ų183133.9 Ų133.986%0.85576%0.758SS**  trans64.8164.5162.6-56.9-149.4-137.400119.5
160G34.8Very low34.7Very low63 Ų63135.3 Ų135.365%0.64977%0.768SS**  cis169.7149.4-12.200000115.3
161Y35Very low34.5Very low214 Ų214132.2 Ų132.284%0.83976%0.764SS**  trans75.1168.3161.7-76.3-87.1000123
162F33.9Very low34.5Very low185 Ų185135.6 Ų135.681%0.81178%0.775SS**  trans-107.9160.9-161-63.2-113.2000113.4
163L31.8Very low34.3Very low178 Ų178133.2 Ų133.293%0.93277%0.767SS**  -174.1177.4119.7-103168.2000113.4
164S31.8Very low34.3Very low108 Ų108136.6 Ų136.676%0.75577%0.765SS**  trans-132.8138-175.5162.20000111
165S31Very low34.2Very low99 Ų99137.8 Ų137.869%0.69276%0.763SS**  trans-175.4162.1138.7-123.60000112.9
166E31.5Very low34.1Very low149 Ų149137 Ų13770%0.69676%0.758SS**  trans36.1122.8144.2-92.449.3-135.600122
167E38.1Very low34.1Very low176 Ų176140.7 Ų140.782%0.82277%0.766SS**  40.9100.9112.3-167.8174.6-120.800117.9
168L37.9Very low34Very low178 Ų178139.5 Ų139.593%0.93276%0.764SS**  trans-145.9139.7133-118.4168.9000110.2
169A31.1Very low33.4Very low81 Ų81139.5 Ų139.567%0.66977%0.772SS**  trans-114.5168-17100000112.2
170S28.4Very low33.2Very low110 Ų110134.5 Ų134.577%0.76977%0.769SS**  trans79.2159.4154.4-161.60000118.1
171C31.4Very low33Very low105 Ų105140.9 Ų140.971%0.70978%0.78SS**  trans76.7129.5166.9-55.30000117.1
172L38.5Very low33.1Very low165 Ų165141.3 Ų141.386%0.86478%0.781SS**  cis-152.7161.2-9.8-117.7175.3000110.5
173E30.7Very low32.9Very low136 Ų136139 Ų13964%0.63678%0.777SS**  trans-101171.1172.8-166.8-176.2155.900109
174Y33.5Very low33Very low179 Ų179137.8 Ų137.870%0.70277%0.772SS**  trans75.5142.7175.6-58.7-83.7000116.6
175D30.9Very low33.2Very low135 Ų135140.5 Ų140.572%0.72278%0.777SS**  cis-146.5168.5-5.5-144.3-14.2000114.2
176V35.5Very low33.1Very low116 Ų116139 Ų13970%0.70378%0.777SS**  trans-67.5142.4169.1179.70000110.9
177L38.9Very low33.2Very low155 Ų155137.8 Ų137.881%0.81279%0.785SS**  176.6145.4122.8-95171.5000115.9
178V33.5Very low32.9Very low134 Ų134135 Ų13581%0.81279%0.785SS**  trans60.9100.6157.7-1760000118.8
179G30Very low32.4Very low80 Ų80129.6 Ų129.683%0.82577%0.773SS**  104.1121103.900000118.2
180G28.9Very low32.5Very low78 Ų78132.8 Ų132.880%0.80478%0.784SS**  trans145.2115.5167.200000112.8
181F31.6Very low32.7Very low197 Ų197133.8 Ų133.886%0.86479%0.785SS**  trans-77.6144.8156.4-72.6-106.6000108.3
182Y35.3Very low32.8Very low224 Ų224139.9 Ų139.988%0.87879%0.793SS**  -171.5173.9129.7-99.9-61.6000110.1
183D30.5Very low32.6Very low136 Ų136141.9 Ų141.973%0.72779%0.789SS**  trans-98.2154.2-152.7-49.1-75.4000116.6
184D34Very low32.7Very low153 Ų153139.7 Ų139.782%0.81879%0.789SS**  trans65.6175.7143.5-154.313.4000119.4
185L36.4Very low32.6Very low164 Ų164137.9 Ų137.986%0.85979%0.79SS**  trans71134.5-170.9-54.7122.3000114.6
186G28.3Very low32.6Very low68 Ų68137.1 Ų137.170%0.70180%0.796SS**  cis142155.3-7.400000113.3
187S34.5Very low32.3Very low123 Ų123135.9 Ų135.986%0.8680%0.798SS**  trans77.2132.3166.8-156.20000119.5
188S30.5Very low32.3Very low117 Ų117133.9 Ų133.982%0.81879%0.794SS**  trans44.9134.8140.1-155.90000121.4
189G28.1Very low32Very low66 Ų66136.7 Ų136.768%0.6880%0.798SS**  cis161.4-149.94.500000112.8
190V33.7Very low31.9Very low148 Ų148142.3 Ų142.390%0.89780%0.803SS**  trans75.797.4176.3-168.90000117.1
191V31.9Very low31.6Very low131 Ų131143.5 Ų143.579%0.79481%0.805SS**  trans-90143.1164.3168.60000110.9
192R33.4Very low31.3Very low232 Ų232139.4 Ų139.488%0.87580%0.801SS**  trans-170.8155.1141-66.3-150.2177.6176.21109.3
193R34.4Very low31.2Very low208 Ų208136 Ų13679%0.78580%0.797SS**  cis-164.9173-29.9-114.2-175.1-178.5-175.50.1105.5
194S32Very low30.9Very low89 Ų89138.3 Ų138.362%0.62280%0.803SS**  cis-143.4174.411.1-106.90000108.3
195L32.1Very low30.6Very low141 Ų141135 Ų13574%0.73880%0.797SS**  66.113653.7-44179.8000114.2
196S29.9Very low30.2Very low119 Ų119133.7 Ų133.783%0.83280%0.797SS**  cis-157170.729.657.50000115.7
197A29.8Very low30.2Very low91 Ų91135.2 Ų135.275%0.75280%0.796SS**  trans-129.4169.9160.700000108.3
198P39.2Very low30.1Very low113 Ų113137.3 Ų137.373%0.73480%0.797SS**  -159.7158.6112.838.7-19.3000120
199H26.8Very low30.1Very low192 Ų192135.9 Ų135.989%0.88979%0.792SS**  trans84.6165.7136.9-78.921000123.2
200Q28Very low30.6Very low198 Ų198138.5 Ų138.593%0.92580%0.797SS**  trans-134.1167.5-155.8-62177.5-52.600113.4
201A23.5Very low30.5Very low103 Ų103138.2 Ų138.285%0.85180%0.796SS**  trans-143.4161.9161.600000110.3
202S24.2Very low30.2Very low111 Ų111139.6 Ų139.678%0.77680%0.799SS**  trans-162.9171.8179.6-165.70000112.3
203L33Very low30.2Very low154 Ų154134 Ų13481%0.80680%0.796SS**  trans66.1158.2-178.8-53.9177000114.2
204E25Very low30.8Very low183 Ų183130.2 Ų130.286%0.85580%0.798SS**  cis-142.4-172.20.5-146.2175.4179.200110.6
205A28.2Very low30.8Very low84 Ų84131.2 Ų131.269%0.69481%0.805SS**  trans-107.9164.6-178.300000113.2
206T28.7Very low31Very low137 Ų137134.3 Ų134.384%0.8481%0.812SS**  trans166.1126.2132.3-760000114.6
207S27.1Very low31.2Very low100 Ų100135.5 Ų135.570%0.69982%0.815SS**  trans46.1119.8148.7-159.80000122.7
208L32.6Very low31.2Very low167 Ų167139.4 Ų139.487%0.87482%0.822SS**  -168.7172.4101.4-103.3171.7000114.4
209A30.2Very low30.8Very low86 Ų86139.5 Ų139.571%0.71182%0.824SS**  trans-80.2170.3-159.800000116.8
210P38.2Very low30.8Very low122 Ų122135.3 Ų135.379%0.79282%0.816SS**  trans-98.1168.5-172.639.3-35.3000114.8
211T33.1Very low31Very low142 Ų142135 Ų13587%0.87181%0.812SS**  trans-140.4134.4165.653.90000112.6
212D25.7Very low31.6Very low159 Ų159139.8 Ų139.885%0.8581%0.814SS**  trans-74.9170.7175.8-76.8-70.2000114.9
213S32.4Very low32.7Very low116 Ų116140.1 Ų140.181%0.81181%0.814SS**  trans120.6153.8134.478.20000118.1
214P46.6Very low32.6Very low128 Ų128143.5 Ų143.583%0.83182%0.816SS**  trans-132143.7-157.938.5-19.7000117.5
215S32.5Very low32.9Very low109 Ų109141.5 Ų141.576%0.76281%0.811SS**  trans-148.8127161.5530000109.6
216K35.8Very low33.1Very low207 Ų207143.5 Ų143.590%0.981%0.814SS**  5785.557-70.4-171.9176.9176.30114.6
217T34.1Very low33.4Very low144 Ų144142 Ų14288%0.88381%0.809SS**  trans-148.4138.2146.816.90000110.4
218L30.8Very low33.8Very low173 Ų173143.5 Ų143.591%0.90681%0.809SS**  trans-89.5149.5168.4-70.8153000108.9
219C30.7Very low34.1Very low115 Ų115142.5 Ų142.578%0.77780%0.804SS**  trans-147.1129.3149.8-165.10000109.7
220S26.1Very low34.5Very low103 Ų103148.7 Ų148.772%0.7281%0.81SS**  trans-138112.2-178.758.50000109.6
221F32.1Very low34.4Very low191 Ų191149.8 Ų149.884%0.83881%0.809SS**  trans-133.9124.1170.7-82.4-78.6000110.6
222F36.1Very low34.2Very low204 Ų204154.1 Ų154.190%0.89581%0.811SS**  trans-132.2149.2165.5-86.5-73.8000107.4
223P47Very low34.6Very low119 Ų119157.4 Ų157.477%0.77381%0.812SS**  trans-136.8121.9131.932.4-18.4000114
224R31.9Very low34.7Very low224 Ų224156.9 Ų156.985%0.84581%0.808SS**  trans31.5124.5135.1-41.4-179.4-166.9-168.63.1117.1
225N32Very low34.1Very low142 Ų142156.5 Ų156.576%0.75981%0.806SS**  -151128.366.3-82.4-37.8000110.8
226V32.5Very low34.1Very low126 Ų126156.1 Ų156.176%0.76480%0.803SS**  67.1122.590171.90000112.9
227S34.6Very low34.1Very low104 Ų104155.5 Ų155.573%0.72780%0.803SS**  cis-172.5171.4-10.559.40000108.4
228D35.3Very low34.2Very low132 Ų132153.4 Ų153.471%0.70680%0.8SS**  cis-147.4-111.56.9-176.2-103000109.3
229I38.8Very low34.5Very low147 Ų147151.4 Ų151.475%0.75480%0.795SS**SBendtrans69.580178.2-49.6-170.9000114.9
230Y39Very low34.5Very low215 Ų215150.9 Ų150.984%0.84380%0.799SS**  trans77.6111.8152.9-80.6-100000119.4
231N34.3Very low34.7Very low145 Ų145152.2 Ų152.278%0.77580%0.803SS**  trans-80.1123.1170.6-75-100.9000111.4
232Y29.5Very low34.9Very low233 Ų233151.8 Ų151.891%0.91480%0.803SS**  trans-79.8124.6162.5-143.1-91.5000109
233R34.7Very low34.8Very low228 Ų228145.6 Ų145.686%0.8680%0.797SS**  trans-107.497.3-174.4-169.2179.5-173.91140.6112.1
234S34.3Very low34.1Very low106 Ų106145.3 Ų145.374%0.74180%0.797SS**  trans-61.3142.2168-50.70000111.4
235P33.9Very low34.1Very low119 Ų119140.1 Ų140.177%0.77379%0.791SS**  -126.5132.41232.518.5000111.5
236S32.5Very low34Very low102 Ų102140.6 Ų140.671%0.71379%0.792SS**  trans-78.2137.7167.443.20000110.8
237H37Very low33.9Very low194 Ų194140.7 Ų140.790%0.89879%0.788SS**  trans-166.194.2148.4-87.6-50.4000109.9
238A34.1Very low33.6Very low99 Ų99142.8 Ų142.882%0.81879%0.786SS**  trans-144.8119.9166.200000108.3
239T38Very low33.5Very low132 Ų132142.8 Ų142.881%0.8179%0.79SS**  trans-142.9123-176.545.50000109.7
240A30.1Very low33Very low103 Ų103141.6 Ų141.685%0.85180%0.796SS**  trans65150.6-172.800000114.3
241V31.8Very low32.4Very low132 Ų132135 Ų13580%0.879%0.793SS**  cis-114.5159.211.5174.40000111.9
242Q36.3Very low32Very low182 Ų182136 Ų13685%0.8580%0.798SS**  trans-60.5150.3-178.7-62.9142.7-63.500113.9
243G33.4Very low31.8Very low73 Ų73128.4 Ų128.475%0.75379%0.791SS**  trans-130.698.516100000110.5
244S32.6Very low31.4Very low113 Ų113120.9 Ų120.979%0.7978%0.784SS**  trans-123.7126166.8-53.80000106.4
245V32.1Very low31.2Very low116 Ų116125.3 Ų125.370%0.70379%0.793SS**  cis76.892.833.4-170.40000113.7L247V245-L247 HydrophobicContact CG1-CD1 4.43Å
246L30Very low30.7Very low152 Ų152124.3 Ų124.380%0.79679%0.788SS**  trans-163.8137.5134.3-113.7123.7000106.1
247L29.5Very low30.4Very low127 Ų127129.3 Ų129.367%0.66579%0.791SS**  cis97.6140.127.7-82.1168.1000115.4V245V245-L247 HydrophobicContact CG1-CD1 4.43Å
248Q28.3Very low29.8Very low148 Ų148125.3 Ų125.369%0.69278%0.776SS**  trans69.1138.7161.9-70.3142.4-32.800118.5
249V32.5Very low29.6Very low132 Ų132128.4 Ų128.480%0.877%0.774SS**  cis98.4146.518.5178.90000114.6
250S29.4Very low29.3Very low123 Ų123126.4 Ų126.486%0.8677%0.77SS**  trans80.5140.1-176-54.60000115
251G25.5Very low29.2Very low76 Ų76125.7 Ų125.778%0.78477%0.773SS**  cis-164.6-158.3-300000109
252D26Very low29.1Very low167 Ų167123.2 Ų123.289%0.89377%0.774SS**  cis-168.7157.4-7.1-173.923.1000109.8
253G26Very low28.8Very low73 Ų73123.5 Ų123.575%0.75378%0.775SS**  trans63.8152169.100000118.6
254G26.8Very low28.4Very low70 Ų70124.2 Ų124.272%0.72277%0.768SS**  cis-160.8152.5-8.200000108.3
255Q28.7Very low28.5Very low198 Ų198126.3 Ų126.393%0.92577%0.769SS**  65.1124.675.1-162.2163.392.600111.9
256C23.6Very low28.3Very low99 Ų99129.1 Ų129.167%0.66977%0.772SS**  cis-162.7162.38.5-142.50000111.6
257R26.6Very low28.2Very low207 Ų207127.6 Ų127.678%0.78177%0.77SS**  trans62.3174.2157.1-71.1-168.6170.6-75.1-3.6115.5
258D25.3Very low27.9Very low110 Ų110129.1 Ų129.159%0.58877%0.773SS**  cis-164.3158.9-26.5-96.70.9000105
259E29.8Very low27.9Very low164 Ų164127.6 Ų127.677%0.76677%0.774SS**  cis-164.8176.2-13.7-114.9-79.5-13300108.3
260A30.5Very low27.6Very low89 Ų89125.8 Ų125.874%0.73677%0.768SS**  trans67.7117.1155.500000121.2
261G27.8Very low28.1Very low89 Ų89125.5 Ų125.592%0.91876%0.763SS**  108.4133.5127.400000118
262G31.1Very low28.1Very low79 Ų79127.2 Ų127.281%0.81476%0.758SS**  trans140.882.4171.300000114.2
263E28.8Very low28.4Very low188 Ų188127.5 Ų127.588%0.87976%0.758SS**  trans-51.3133.4171.4-83.2-174.398.700113.5
264C26.1Very low28.5Very low88 Ų88127.7 Ų127.760%0.59576%0.761SS**  91.5-17980.7-156.30000111.5
265L34.4Very low28.7Very low157 Ų157129.9 Ų129.982%0.82277%0.765SS**  trans67.8107.3-167.2-51.2-174000111.9
266K27.1Very low28.6Very low175 Ų175127.4 Ų127.476%0.76176%0.763SS**  cis53.1126.431.6-64-178.3-179.1174.40111.7
267T27.7Very low29.1Very low121 Ų121128.6 Ų128.674%0.74277%0.772SS**  cis-159.8149.418.1-80000111.3
268E23.2Very low29.2Very low158 Ų158122.3 Ų122.374%0.73877%0.772SS**  trans40.6115.4130.1-70.6-72.5123.400121.1
269T29.1Very low29.4Very low117 Ų117123 Ų12372%0.71879%0.785SS**  90.7139.7115.4-69.60000122.1
270S26.8Very low29.6Very low94 Ų94123.3 Ų123.366%0.65779%0.791SS**  trans-83163177.5-178.50000112.3V272S270-V272 PolarHBondContact OG-N 2.89Å
271P39.5Very low29.7Very low116 Ų116129 Ų12975%0.75379%0.794SS**  -141.2118.9120.530.6-14.3000116.7
272V26.1Very low30.1Very low113 Ų113130.6 Ų130.669%0.68579%0.788SS**  53.8111.2112.7-179.20000120.2S270S270-V272 PolarHBondContact OG-N 2.89Å
273L32Very low30.2Very low172 Ų172134.5 Ų134.590%0.90179%0.785SS**  trans69.9122.2146.2-70.1170.2000122.9
274G27Very low30.4Very low78 Ų78129.4 Ų129.480%0.80478%0.783SS**  trans-162.1136.3150.700000109.5
275S30.5Very low30.7Very low115 Ų115130.6 Ų130.680%0.80479%0.792SS**  trans-145.5116.6-167.2170.90000114.8
276V28.5Very low31.1Very low146 Ų146128.2 Ų128.289%0.88578%0.784SS**  trans-148.4141.3156.6-179.80000109.2
277S32.5Very low31.5Very low124 Ų124129.2 Ų129.287%0.86779%0.789SS**  trans-77.8134.8175.7-620000113.2
278G28.7Very low32.3Very low75 Ų75128.8 Ų128.877%0.77378%0.778SS**  trans-151.4118.9169.300000111.9
279S31.2Very low33.2Very low124 Ų124125.6 Ų125.687%0.86777%0.77SS**  trans-87.1114.8-179.2-178.30000111.2
280L33.5Very low34.3Very low171 Ų171127.8 Ų127.890%0.89577%0.772SS**  trans-133.3144.9167.4-75.5176.1000112.1
281R31.8Very low35.7Very low210 Ų210127.4 Ų127.479%0.79277%0.769SS**PPolyproline II helixtrans-91.4126.5-173.5166.5-172.6173.1-173.10110.2Q283R281-Q283 PolarHBondContact O-N 2.59Å
282P36.3Very low36.8Very low122 Ų122123.1 Ų123.179%0.79274%0.742SS**PPolyproline II helixtrans-66120.6170.3-20.132.9000111.3
283Q33.8Very low39.1Very low161 Ų161122 Ų12275%0.75273%0.727SS**PPolyproline II helixtrans-83.6148.9147.1-75.7-80.639.700107.6R281R281-Q283 PolarHBondContact O-N 2.59Å
284G33.5Very low41.2Very low81 Ų81120.5 Ų120.584%0.83572%0.716SS**PPolyproline II helixtrans-76.1151.3-173.600000114.3
285S31.5Very low44.1Very low113 Ų113121.4 Ų121.479%0.7970%0.702SS**  trans-138.3155.5157.6-170.90000109.1
286T44Very low46.8Very low106 Ų106121.5 Ų121.565%0.6569%0.689SS**  trans-109.7111.2-159.3-56.90000112.9Q288T286-Q288 HydrophobicContact CG2-CG 4.07Å
287F35.3Very low49.7Very low197 Ų197122.4 Ų122.486%0.86468%0.681SS**  trans-129.993159.1-72.6-74.5000109.3T289F287-T289 PolarHBondContact O-N 3.05Å
288Q43.5Very low52.4Low111 Ų111122.6 Ų122.652%0.51966%0.664SS.*  trans-83.196.9177.8-73.3-177.9-9.500110.4T286T286-Q288 HydrophobicContact CG2-CG 4.07Å
289T42.3Very low55.4Low91 Ų91123 Ų12356%0.55865%0.648SS**  trans-63.9135.716251.50000109.1F287 S291 S292F287-T289 PolarHBondContact O-N 3.05Å; T289-S291 PolarHBondContact O-N 3.45Å; T289-S292 PolarHBondContact O-N 3.22Å
290H52.5Low58Low164 Ų164123.1 Ų123.176%0.75963%0.633SS**THydrogen-bonded Turntrans-66.2-17-170.2-72.6-115.5000113.4
291S56.7Low60.7Low85 Ų85115.9 Ų115.959%0.59460%0.599SS**THydrogen-bonded Turntrans-71.7-29.5171.653.70000114.2T289 K293 H294 L295T289-S291 PolarHBondContact O-N 3.45Å; S291-K293 VanDerWaalsContact C-N 3.28Å; S291-K293 PolarHBondContact O-N 3.22Å; S291-H294 PolarHBondContact O-N 2.9Å; S291-H294 VanDerWaalsContact O-N 3.15Å; S291-L295 PolarHBondContact O-N 3.34Å; S291-L295 VanDerWaalsContact O-N 3.14Å
292S61Low63.2Low27 Ų27108.8 Ų108.819%0.18958%0.577CS.*Hα-helixtrans-60.6-39.5-175.998.20000111.4T289 H294 L295 E296T289-S292 PolarHBondContact O-N 3.22Å; S292-H294 VanDerWaalsContact C-N 3.3Å; S292-H294 PolarHBondContact O-N 3.38Å; S292-L295 CarbonylContact O-C 3.59Å; S292-L295 PolarHBondContact O-N 2.86Å; S292-L295 VanDerWaalsContact O-N 3.16Å; S292-E296 WeakPolarHBondContact O-CB 3.31Å; S292-E296 VanDerWaalsContact O-CG 3.29Å; S292-E296 WeakPolarHBondContact O-CG 3.46Å; S292-E296 PolarHBondContact O-N 3.47Å; S292-E296 PolarHBondContact OG-OE1 3.09Å
293K74.8Confident65.5Low88 Ų88108.2 Ų108.238%0.38357%0.566SS.*Hα-helixtrans-64-32-179.7-67.2170.6-177.9167.10113.1S291 K297S291-K293 VanDerWaalsContact C-N 3.28Å; S291-K293 PolarHBondContact O-N 3.22Å; K293-K297 WeakPolarHBondContact O-CB 3.3Å; K293-K297 WeakPolarHBondContact O-CG 3.38Å; K293-K297 PolarHBondContact O-N 2.94Å; K293-K297 VanDerWaalsContact O-N 3.15Å
294H76.8Confident67.4Low141 Ų141106.7 Ų106.765%0.65356%0.559SS**Hα-helixtrans-75.2-43.8173.8-174-105.1000110.8S291 S292 K297 Y298S291-H294 PolarHBondContact O-N 2.9Å; S291-H294 VanDerWaalsContact O-N 3.15Å; S292-H294 VanDerWaalsContact C-N 3.3Å; S292-H294 PolarHBondContact O-N 3.38Å; H294-K297 PolarHBondContact O-N 3.12Å; H294-Y298 VanDerWaalsContact O-CB 3.27Å; H294-Y298 WeakPolarHBondContact O-CB 3.44Å; H294-Y298 PolarHBondContact O-N 2.96Å
295L88.4Confident69Low98 Ų98111 Ų11151%0.51355%0.55SS.*Hα-helixtrans-61.6-43.9176.2-177.161.2000112S291 S292 Y298 I299S291-L295 PolarHBondContact O-N 3.34Å; S291-L295 VanDerWaalsContact O-N 3.14Å; S292-L295 CarbonylContact O-C 3.59Å; S292-L295 PolarHBondContact O-N 2.86Å; S292-L295 VanDerWaalsContact O-N 3.16Å; L295-Y298 PolarHBondContact O-N 3.42Å; L295-I299 HydrophobicContact CD1-CD1 3.91Å; L295-I299 HydrophobicContact CD1-CG1 4.24Å; L295-I299 HydrophobicContact CG-CD1 3.81Å; L295-I299 HydrophobicContact CG-CG1 4.49Å; L295-I299 WeakPolarHBondContact O-CB 3.49Å; L295-I299 VanDerWaalsContact O-CG1 3.25Å; L295-I299 WeakPolarHBondContact O-CG1 3.25Å; L295-I299 PolarHBondContact O-N 2.91Å
296E86.3Confident70.2Confident116 Ų116116 Ų11654%0.54255%0.552SS.*Hα-helixtrans-62.5-46175.1-74.9163.5-146.300111.6S292 Y298 I299 F300S292-E296 WeakPolarHBondContact O-CB 3.31Å; S292-E296 VanDerWaalsContact O-CG 3.29Å; S292-E296 WeakPolarHBondContact O-CG 3.46Å; S292-E296 PolarHBondContact O-N 3.47Å; S292-E296 PolarHBondContact OG-OE1 3.09Å; E296-Y298 VanDerWaalsContact C-N 3.32Å; E296-Y298 PolarHBondContact O-N 3.45Å; E296-I299 PolarHBondContact O-N 3.37Å; E296-F300 WeakPolarHBondContact O-CB 3.45Å; E296-F300 PolarHBondContact O-N 3.41Å
297K88.4Confident70.8Confident165 Ų165114.1 Ų114.172%0.71755%0.547SS*.Hα-helixtrans-63.5-36.7173.6-80.1-178.6176.1-178.50112.4K293 H294 G301K293-K297 WeakPolarHBondContact O-CB 3.3Å; K293-K297 WeakPolarHBondContact O-CG 3.38Å; K293-K297 PolarHBondContact O-N 2.94Å; K293-K297 VanDerWaalsContact O-N 3.15Å; H294-K297 PolarHBondContact O-N 3.12Å; K297-G301 PolarHBondContact O-N 3.34Å
298Y89.9Confident71.7Confident129 Ų129111.9 Ų111.951%0.50654%0.54SS..Hα-helixtrans-68.9-45.5177.2179.8-110.9000111.8H294 L295 E296 G301 L302H294-Y298 VanDerWaalsContact O-CB 3.27Å; H294-Y298 WeakPolarHBondContact O-CB 3.44Å; H294-Y298 PolarHBondContact O-N 2.96Å; L295-Y298 PolarHBondContact O-N 3.42Å; E296-Y298 VanDerWaalsContact C-N 3.32Å; E296-Y298 PolarHBondContact O-N 3.45Å; Y298-G301 CarbonylContact O-C 3.59Å; Y298-G301 PolarHBondContact O-N 3.36Å; Y298-L302 HydrophobicContact CD1-CD1 3.88Å; Y298-L302 HydrophobicContact CE1-CD1 3.45Å; Y298-L302 VanDerWaalsContact CE1-CD1 3.45Å; Y298-L302 HydrophobicContact CE2-CD1 4.24Å; Y298-L302 HydrophobicContact CG-CD1 4.45Å; Y298-L302 WeakPolarHBondContact O-CB 3.28Å; Y298-L302 PolarHBondContact O-N 2.95Å
299I92.5Very high71.9Confident83 Ų83111.9 Ų111.943%0.42655%0.549SS..Hα-helixtrans-64.2-46.2174.7-70.3169.5000110.6L295 E296 G301 L302 L303L295-I299 HydrophobicContact CD1-CD1 3.91Å; L295-I299 HydrophobicContact CD1-CG1 4.24Å; L295-I299 HydrophobicContact CG-CD1 3.81Å; L295-I299 HydrophobicContact CG-CG1 4.49Å; L295-I299 WeakPolarHBondContact O-CB 3.49Å; L295-I299 VanDerWaalsContact O-CG1 3.25Å; L295-I299 WeakPolarHBondContact O-CG1 3.25Å; L295-I299 PolarHBondContact O-N 2.91Å; E296-I299 PolarHBondContact O-N 3.37Å; I299-G301 VanDerWaalsContact C-N 3.34Å; I299-G301 PolarHBondContact O-N 3.48Å; I299-L302 WeakPolarHBondContact O-CB 3.37Å; I299-L302 PolarHBondContact O-N 3.01Å; I299-L302 VanDerWaalsContact O-N 3.14Å; I299-L303 HydrophobicContact CG2-CD1 3.88Å; I299-L303 HydrophobicContact CG2-CG 4.37Å; I299-L303 WeakPolarHBondContact O-CB 3.43Å; I299-L303 VanDerWaalsContact O-CG 3.31Å; I299-L303 WeakPolarHBondContact O-CG 3.5Å; I299-L303 PolarHBondContact O-N 3.46Å
300F85.3Confident72.1Confident127 Ų127115.5 Ų115.556%0.55756%0.563SS**Hα-helixtrans-61.7-42.8175.3-171.7-91.4000111.2E296 L302 L303 Q304E296-F300 WeakPolarHBondContact O-CB 3.45Å; E296-F300 PolarHBondContact O-N 3.41Å; F300-L302 VanDerWaalsContact C-N 3.31Å; F300-L302 PolarHBondContact O-N 3.3Å; F300-L303 PolarHBondContact O-N 2.91Å; F300-Q304 VanDerWaalsContact O-CB 3.23Å; F300-Q304 WeakPolarHBondContact O-CB 3.45Å; F300-Q304 PolarHBondContact O-N 3.25Å
301G90.7Very high71.9Confident18 Ų18117.8 Ų117.819%0.18657%0.565CS.*Hα-helixtrans-66.9-25.8173.800000114.1K297 Y298 I299 R305K297-G301 PolarHBondContact O-N 3.34Å; Y298-G301 CarbonylContact O-C 3.59Å; Y298-G301 PolarHBondContact O-N 3.36Å; I299-G301 VanDerWaalsContact C-N 3.34Å; I299-G301 PolarHBondContact O-N 3.48Å; G301-R305 VanDerWaalsContact O-CB 3.24Å; G301-R305 WeakPolarHBondContact O-CB 3.41Å; G301-R305 WeakPolarHBondContact O-CG 3.34Å; G301-R305 PolarHBondContact O-N 3.47Å; G301-R305 VanDerWaalsContact O-N 3.17Å; G301-R305 PolarHBondContact O-NE 2.92Å
302L83.9Confident71.4Confident62 Ų62117.5 Ų117.533%0.32557%0.568SS.*Hα-helixtrans-75.9-45.9170.6-94.8161.2000111.4Y298 I299 F300 R305 R306Y298-L302 HydrophobicContact CD1-CD1 3.88Å; Y298-L302 HydrophobicContact CE1-CD1 3.45Å; Y298-L302 VanDerWaalsContact CE1-CD1 3.45Å; Y298-L302 HydrophobicContact CE2-CD1 4.24Å; Y298-L302 HydrophobicContact CG-CD1 4.45Å; Y298-L302 WeakPolarHBondContact O-CB 3.28Å; Y298-L302 PolarHBondContact O-N 2.95Å; I299-L302 WeakPolarHBondContact O-CB 3.37Å; I299-L302 PolarHBondContact O-N 3.01Å; I299-L302 VanDerWaalsContact O-N 3.14Å; F300-L302 VanDerWaalsContact C-N 3.31Å; F300-L302 PolarHBondContact O-N 3.3Å; L302-R305 PolarHBondContact O-N 2.91Å; L302-R306 WeakPolarHBondContact O-CB 3.33Å; L302-R306 PolarHBondContact O-N 3.33Å
303L83.8Confident70.5Confident110 Ų110123.5 Ų123.558%0.57660%0.598SS**Hα-helixtrans-61-45.9175.5-72.5169.1000110.7I299 F300 R306 A307I299-L303 HydrophobicContact CG2-CD1 3.88Å; I299-L303 HydrophobicContact CG2-CG 4.37Å; I299-L303 WeakPolarHBondContact O-CB 3.43Å; I299-L303 VanDerWaalsContact O-CG 3.31Å; I299-L303 WeakPolarHBondContact O-CG 3.5Å; I299-L303 PolarHBondContact O-N 3.46Å; F300-L303 PolarHBondContact O-N 2.91Å; L303-R306 PolarHBondContact O-N 3.49Å; L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 2.98Å
304Q75.2Confident69.6Low129 Ų129129.6 Ų129.660%0.60362%0.619SS**Hα-helixtrans-71.1-32.3179.7-162.8170.142.200112.6F300F300-Q304 VanDerWaalsContact O-CB 3.23Å; F300-Q304 WeakPolarHBondContact O-CB 3.45Å; F300-Q304 PolarHBondContact O-N 3.25Å
305R65.6Low68Low171 Ų171128 Ų12865%0.64562%0.621SS**Hα-helixtrans-73.3-29171.3-77-179.8-71.9-176.5-0.8113.4G301 L302G301-R305 VanDerWaalsContact O-CB 3.24Å; G301-R305 WeakPolarHBondContact O-CB 3.41Å; G301-R305 WeakPolarHBondContact O-CG 3.34Å; G301-R305 PolarHBondContact O-N 3.47Å; G301-R305 VanDerWaalsContact O-N 3.17Å; G301-R305 PolarHBondContact O-NE 2.92Å; L302-R305 PolarHBondContact O-N 2.91Å
306R56.2Low65.9Low217 Ų217134.7 Ų134.782%0.81964%0.639SS**Hα-helixtrans-81-31.8171.1-76.5-175.1170.2-179.4-1.7112.9L302 L303 Q308L302-R306 WeakPolarHBondContact O-CB 3.33Å; L302-R306 PolarHBondContact O-N 3.33Å; L303-R306 PolarHBondContact O-N 3.49Å; R306-Q308 PolarHBondContact O-N 2.96Å
307A57.8Low64.3Low68 Ų68134.8 Ų134.856%0.56265%0.648SS**  trans-81.349.5176.200000112.4L303 P309L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 2.98Å; A307-P309 WeakPolarHBondContact O-CD 3.33Å
308Q54Low62.1Low150 Ų150134 Ų13470%0.70165%0.651SS**  trans-53122.4154-79.2-75.7-22.800107.4R306 I310R306-Q308 PolarHBondContact O-N 2.96Å; Q308-I310 PolarHBondContact O-N 3.34Å
309P48.3Very low60.3Low111 Ų111135.1 Ų135.172%0.72167%0.665SS**  trans-63114.4179.925-32.5000108.1A307 R311A307-P309 WeakPolarHBondContact O-CD 3.33Å; P309-R311 PolarHBondContact O-N 3.39Å
310I45.7Very low57.9Low166 Ų166135.4 Ų135.485%0.85167%0.674SS**  trans-57.7102.7179.3-62.6175.9000107.1Q308 A312Q308-I310 PolarHBondContact O-N 3.34Å; I310-A312 VanDerWaalsContact C-N 3.35Å; I310-A312 PolarHBondContact O-N 3.41Å
311R48Very low56.3Low212 Ų212136.1 Ų136.180%0.869%0.689SS**  trans-66.596.4-172.1-165.2-172.2-156.9-165.710.5107.9P309 N313P309-R311 PolarHBondContact O-N 3.39Å; R311-N313 PolarHBondContact O-N 3.49Å
312A47.4Very low53.9Low80 Ų80138.1 Ų138.166%0.66170%0.696SS**  trans-59.2104-17400000109.7I310 R314I310-A312 VanDerWaalsContact C-N 3.35Å; I310-A312 PolarHBondContact O-N 3.41Å; A312-R314 PolarHBondContact O-N 2.97Å
313N41.5Very low52.4Low153 Ų153140.6 Ų140.682%0.81872%0.715SS**  trans-74.158.2176.6-75.3-42.2000110.5R311R311-N313 PolarHBondContact O-N 3.49Å
314R55.5Low50.5Low215 Ų215142.5 Ų142.581%0.81173%0.725SS**  trans-66.5123.5158.5-74.9-173.3172.4-170.5-1.6107.1A312 R316A312-R314 PolarHBondContact O-N 2.97Å; R314-R316 PolarHBondContact O-N 3.34Å
315P44.2Very low49.7Very low107 Ų107143.8 Ų143.870%0.69573%0.729SS**  trans-60.7127.5169.925.9-32.7000108.6T317P315-T317 VanDerWaalsContact C-N 3.28Å; P315-T317 PolarHBondContact O-N 2.94Å
316R43.5Very low48.5Very low239 Ų239141 Ų14190%0.90274%0.735SS**  trans-75.280.7175.4-79.5-174.2166.7121.4-8.5109.9R314 N318R314-R316 PolarHBondContact O-N 3.34Å; R316-N318 PolarHBondContact O-N 3.38Å
317T52.5Low48Very low118 Ų118137.1 Ų137.172%0.72474%0.736SS**  trans-73.267.7169.153.80000110.4P315 I319P315-T317 VanDerWaalsContact C-N 3.28Å; P315-T317 PolarHBondContact O-N 2.94Å; T317-I319 PolarHBondContact O-N 3.05Å
318N42.6Very low47.5Very low148 Ų148139.5 Ų139.579%0.79174%0.743SS**  trans-84.165.2-179.3-163.727000111.4R316 S320R316-N318 PolarHBondContact O-N 3.38Å; N318-S320 PolarHBondContact O-N 2.96Å
319I52.2Low47.2Very low153 Ų153143.9 Ų143.979%0.78575%0.753SS**  trans-81.195.5165.739.9170.8000108.6T317 T321T317-I319 PolarHBondContact O-N 3.05Å; I319-T321 PolarHBondContact O-N 3.15Å
320S41.4Very low46.9Very low90 Ų90146.5 Ų146.563%0.62976%0.756SS**  trans-66.5125.7173.8-1800000110.2N318 D322N318-S320 PolarHBondContact O-N 2.96Å; S320-D322 PolarHBondContact O-N 3.38Å
321T52.2Low46.7Very low141 Ų141144 Ų14487%0.86575%0.75SS**  trans-89.453.3174.157.10000111I319I319-T321 PolarHBondContact O-N 3.15Å
322D39.7Very low46.6Very low61 Ų61139 Ų13933%0.32675%0.748SS.*  trans-110.8104.5172.1178.65.9000108.8S320 L324 K325S320-D322 PolarHBondContact O-N 3.38Å; D322-L324 PolarHBondContact O-N 2.99Å; D322-K325 IonicContact OD2-NZ 2.59Å; D322-K325 PolarHBondContact OD2-NZ 3.27Å
323P52.8Low46.3Very low113 Ų113143.5 Ų143.573%0.73476%0.76SS**THydrogen-bonded Turntrans-73.32.8-166.929.2-35.3000115
324L45.3Very low45.9Very low151 Ų151142 Ų14279%0.79176%0.76SS**THydrogen-bonded Turntrans-110.910.4-171.3-63.4177.2000115.2D322D322-L324 PolarHBondContact O-N 2.99Å
325K57.1Low44.6Very low155 Ų155140.6 Ų140.667%0.67477%0.768SS**  trans-131.321.7-173.7-58.3-164.5-178.782.20116.5D322 V327D322-K325 IonicContact OD2-NZ 2.59Å; D322-K325 PolarHBondContact OD2-NZ 3.27Å; K325-V327 VanDerWaalsContact C-N 3.32Å; K325-V327 PolarHBondContact O-N 2.97Å
326S41.8Very low44.2Very low112 Ų112146.4 Ų146.478%0.78378%0.776SS**  trans-80.761.2-179.445.30000114.4V328S326-V328 PolarHBondContact O-N 2.99Å
327V45.3Very low43.7Very low136 Ų136144.2 Ų144.282%0.82478%0.776SS**  trans-71.5124.5177.4179.50000111.7K325K325-V327 VanDerWaalsContact C-N 3.32Å; K325-V327 PolarHBondContact O-N 2.97Å
328V46.6Very low42.5Very low118 Ų118142.4 Ų142.472%0.71577%0.772SS**  trans-63138.3-179.7177.20000111.9S326S326-V328 PolarHBondContact O-N 2.99Å
329R46.9Very low41.9Very low242 Ų242141.3 Ų141.391%0.91378%0.776SS**  trans-122.5115.7164.3-83-170.5156.8-163.4-7.9111.5
330Q42.4Very low40.8Very low167 Ų167137.4 Ų137.478%0.7877%0.774SS**  trans-71147174.3-72.5-82.9-8.400111.3
331P41.3Very low40.9Very low113 Ų113138.1 Ų138.173%0.73478%0.777SS**  trans-88.2111172.433.1-30.2000111.5L333P331-L333 PolarHBondContact O-N 3.4Å
332S46.1Very low39.7Very low107 Ų107140.6 Ų140.675%0.74878%0.776SS**  trans-82.4114.5175.848.80000112.4
333L41.1Very low39.3Very low175 Ų175143.3 Ų143.392%0.91680%0.8SS**  trans-77132.7165.8-66.1172000109.3P331P331-L333 PolarHBondContact O-N 3.4Å
334C32.6Very low38.1Very low122 Ų122141.2 Ų141.282%0.82480%0.798SS**  trans-120.1110.2177-640000110.4
335L29.6Very low37.4Very low185 Ų185139.1 Ų139.197%0.96980%0.803SS**  trans-93.1160.9169.9-164.861.3000109.9
336R34.7Very low36.1Very low229 Ų229134.9 Ų134.986%0.86480%0.803SS**  trans-107.5128-161.2170.1-170.4176.2-122.32.4113.7
337Q32.6Very low35.7Very low193 Ų193135.7 Ų135.790%0.90280%0.804SS**  trans176.4158.5154.5-96.5152.921.900108.1
338A27.5Very low35Very low79 Ų79136.8 Ų136.865%0.65380%0.804SS**  cis-164.8162.7-23.500000109.6
339S30.6Very low34.2Very low125 Ų125140.3 Ų140.387%0.87481%0.81SS**  trans56.413816645.10000120.8
340G28.8Very low33.2Very low72 Ų72132.3 Ų132.374%0.74280%0.803SS**  trans-101.6-148.1160.800000110.9
341P44.7Very low32.9Very low104 Ų104129.4 Ų129.468%0.67580%0.8SS**  cis-133.4-158.43.535.3-12.3000113.8
342F25.8Very low32.3Very low194 Ų194132.3 Ų132.385%0.85180%0.804SS**  trans70.7167175.7-55.3-68.9000116.6
343S31.8Very low31.7Very low118 Ų118133.2 Ų133.283%0.82580%0.8SS**  cis-170.3159.1-40.8-170.30000109.2
344G28.5Very low31.2Very low68 Ų68134.5 Ų134.570%0.70180%0.798SS**  trans87.5141.3-179.900000113.6
345A29.6Very low30.8Very low108 Ų108134 Ų13489%0.89380%0.796SS**  cis95.9132.423.600000114.9
346G29.9Very low30.7Very low66 Ų66130.8 Ų130.868%0.6878%0.783SS**  trans91.6122.8-173.400000112.3
347T32.4Very low30.6Very low129 Ų129129.2 Ų129.279%0.79178%0.783SS**  cis89124.929.973.50000116.2
348L31Very low31.4Very low159 Ų159126 Ų12683%0.83278%0.779SS**  trans68.5165.9164.1-56.6168.5000117.6
349K30.2Very low31.5Very low192 Ų192126.8 Ų126.884%0.83579%0.786SS**  cis-174.6136.4-39.5-179.8177.1177.6-174.30108.7
350G26.4Very low31.4Very low74 Ų74124.1 Ų124.176%0.76378%0.778SS**  trans76.3174.9-179.800000113.4
351S35.8Very low31.5Very low105 Ų105129.3 Ų129.373%0.73478%0.783SS**  cis-162.2121.9-7.448.30000107.3
352E28.2Very low31Very low175 Ų175129.8 Ų129.882%0.81878%0.784SS**  94167.487.4-161.3-173.3-120.300112.8
353I34.2Very low31.2Very low126 Ų126126 Ų12665%0.64678%0.781SS**  trans97.9105.1157-55.7175.7000119.6
354K29.6Very low31.1Very low202 Ų202124 Ų12488%0.87877%0.772SS**  trans66.3161.6146.6-71174.6-176.6174.40119.9
355S25.3Very low31.2Very low112 Ų112129.5 Ų129.578%0.78378%0.78SS**  cis-132.5171.8354.60000113.4
356V27.3Very low31.2Very low117 Ų117130.2 Ų130.271%0.70977%0.773SS**  trans-150.8153.3-161.5152.60000112.3
357F32Very low31.3Very low196 Ų196133.9 Ų133.986%0.8678%0.775SS**  trans69.8167165.5-73.6-27.5000118.2
358P50.2Low31.1Very low125 Ų125133.3 Ų133.381%0.81277%0.771SS**  cis-121.1-172.915.845.9-32.1000114.8
359A29.4Very low31Very low96 Ų96133.1 Ų133.179%0.79377%0.769SS**  cis-133.8160.3-500000107.5
360G28.6Very low30.8Very low69 Ų69128.9 Ų128.971%0.71176%0.764SS**  cis111.713739.900000108.3
361E30.9Very low30.8Very low180 Ų180130.5 Ų130.584%0.84176%0.764SS**  cis-145.7-159.2-6.9-69.1-167.957.400107.5
362T33.3Very low30.6Very low114 Ų114130.4 Ų130.470%0.69976%0.763SS**  cis-159.3160.36.5-290000109.4
363S29.7Very low31Very low114 Ų114127.9 Ų127.980%0.79776%0.762SS**  trans51.1141.2155.1-80.20000122.8
364A31.7Very low31Very low76 Ų76133 Ų13363%0.62877%0.773SS**  cis-168.7150.4-15.200000111
365E29.4Very low30.9Very low185 Ų185133 Ų13386%0.86478%0.776SS**  trans56.1168.4142.8-69.2-176.415800123.1
366V30.8Very low31Very low123 Ų123133.2 Ų133.275%0.74578%0.778SS**  -157.5156.1-59.4118.80000112.1
367I30.3Very low31.3Very low143 Ų143132.9 Ų132.973%0.73378%0.781SS**  trans-16.2109.9171.1-61.7165.7000120
368T28.3Very low31.3Very low116 Ų116130.4 Ų130.471%0.71278%0.776SS**  trans57.7157.1138.866.90000125.3
369I30Very low30.4Very low155 Ų155132.2 Ų132.280%0.79577%0.773SS**  trans82.9106.3161.3-41.3179.9000118
370S25.8Very low30.8Very low103 Ų103132.2 Ų132.272%0.7277%0.768SS**  168.6156.7114.249.60000115.4
371S26.8Very low31Very low108 Ų108136.6 Ų136.676%0.75577%0.767SS**  trans39.3130.1150.454.40000123.5
372S31.1Very low31Very low103 Ų103132 Ų13272%0.7275%0.748SS**  trans-81157.4150.6-175.70000110.5
373P37.2Very low30.9Very low123 Ų123133.8 Ų133.880%0.79975%0.749SS**  -136.4178.3102.537.3-25.5000114.4
374R33.2Very low31Very low234 Ų234135.1 Ų135.188%0.88374%0.742SS**  trans-88.6150.8-175.6-54.5171.7175.5-173.5-2.5113
375Q28.9Very low31.1Very low201 Ų201140.1 Ų140.194%0.93975%0.75SS**  trans-164.7163135-112.4169.27.400112.5
376S27.1Very low31Very low117 Ų117134.4 Ų134.482%0.81874%0.741SS**  trans-160.2140.1-170.656.20000112.8
377S32.4Very low30.9Very low110 Ų110134.7 Ų134.777%0.76974%0.743SS**  trans-177.9159.3176.248.70000109.5
378L33.2Very low30.9Very low144 Ų144135.4 Ų135.475%0.75474%0.743SS**  cis-175.6160.8-12.7-94.5167.7000103.5
379E29.9Very low30.8Very low163 Ų163140.4 Ų140.476%0.76275%0.749SS**  cis-163.8177.2-33.6-141.273.2134.600104.2
380S38.9Very low30.7Very low96 Ų96137.7 Ų137.767%0.67175%0.75SS**  cis-150.6-154.96.737.80000106.3
381K31.9Very low31.2Very low160 Ų160138 Ų13870%0.69675%0.752SS**  cis-155.4169.222.9-88.8-163.8154.7-80.60107.7
382N32.1Very low32.1Very low84 Ų84138.4 Ų138.445%0.44975%0.752SS.*  cis-154.4155.1-5-12620.5000109.4
383E30.6Very low32.1Very low152 Ų152140.6 Ų140.671%0.7176%0.756SS**  trans54.8142.2150-78.9127.4-146.900120.8
384E30.9Very low31.7Very low141 Ų141141.8 Ų141.866%0.65976%0.756SS**  cis-154.5170.5-8.4-172.9160.4-163.200111.8
385K34.1Very low31.9Very low181 Ų181135.9 Ų135.979%0.78775%0.745SS**  trans-37.6160.7177.1-50.9144.5-169.61600116.6
386G27.3Very low32.1Very low66 Ų66133.2 Ų133.268%0.6874%0.738SS**  cis149.4159.8-7.400000115.1
387T30Very low32.5Very low129 Ų129135.8 Ų135.879%0.79174%0.741SS**  trans72.3121.6148.1-54.30000122.4
388Q29.6Very low32.6Very low158 Ų158138 Ų13874%0.73874%0.74SS**  trans91.2122.6150.1-85.5-175.1101.500124.5
389R25.9Very low32.7Very low220 Ų220138.5 Ų138.583%0.8374%0.739SS**  trans43.3132.4133-68.7-177.9-174.6-103.64.1123.2
390A28.4Very low32.8Very low99 Ų99138.6 Ų138.682%0.81874%0.743SS**  trans76.4143.1137.400000120.7
391S35.6Very low32.6Very low108 Ų108139.5 Ų139.576%0.75575%0.749SS**  trans-89.5155.6154.4560000109.3
392P45.5Very low32.6Very low118 Ų118137.7 Ų137.777%0.76676%0.757SS**  -143.1-164.185.341-24.7000114
393D30.8Very low32.8Very low149 Ų149142.9 Ų142.980%0.79778%0.776SS**  trans-72-169.4179.6-56.6-88000115.5
394D29.3Very low32.9Very low148 Ų148143.8 Ų143.879%0.79178%0.783SS**  trans112.6145.8161.2-70.3-22.9000117
395T37Very low33Very low109 Ų109143.6 Ų143.667%0.66979%0.787SS**  cis-161.3163.4-46.89.50000107.8
396D34.4Very low32.9Very low146 Ų146144.7 Ų144.778%0.78179%0.791SS**  trans56.5139.6158.2-68-12.8000122.8
397I34.2Very low33Very low171 Ų171144.5 Ų144.588%0.87779%0.79SS**  -168.2145.3119.8-98.6159.3000109.7
398M34.6Very low33.1Very low155 Ų155145.4 Ų145.476%0.76479%0.79SS**  trans-98148.4-173.7-94.8-160-175.900115
399Q36.2Very low33.3Very low156 Ų156142.3 Ų142.373%0.72979%0.786SS**  trans47.9134.9144.3-56.1-179.731.500121.3
400I31.8Very low33.4Very low165 Ų165139.2 Ų139.285%0.84679%0.786SS**  -175.5156.199.3-92.4171.6000110.8
401S34.8Very low33.6Very low114 Ų114139.9 Ų139.980%0.79779%0.785SS**  trans-85155.8-164.9-52.30000116.8
402S31.8Very low33.2Very low123 Ų123141.3 Ų141.386%0.8678%0.784SS**  trans-158.9161.8135.853.50000111.9
403K35.7Very low32.7Very low193 Ų193142.3 Ų142.384%0.83978%0.782SS**  trans-128.1157.5179.7-65.1177.3177.8176.60109.5
404I32.8Very low32.7Very low170 Ų170142.8 Ų142.887%0.87278%0.779SS**  trans-169.4149.1130.5-99.6153000112.7
405N33.3Very low32.8Very low137 Ų137141 Ų14173%0.73377%0.769SS**  trans-73.9171-165.7-61.3-55.1000118.2
406K32Very low32.6Very low204 Ų204142.3 Ų142.389%0.88777%0.772SS**  trans74.8147.9152.1-74.9171.5178.7-169.40117.8
407G30Very low32.2Very low63 Ų63140.1 Ų140.165%0.64977%0.768SS**  cis178-171.5-300000115.2
408D30.7Very low32.1Very low147 Ų147137 Ų13779%0.78676%0.761SS**  trans68.493.3157.3-55.3-40000122
409S33.9Very low31.7Very low94 Ų94135.8 Ų135.866%0.65776%0.762SS**  59.2119.5106.2-56.90000122.6
410N28.9Very low31.4Very low154 Ų154134.1 Ų134.182%0.82476%0.763SS**  trans79.2165.4133.9-67.2-27.7000121.5
411S32.3Very low31.4Very low114 Ų114131.3 Ų131.380%0.79776%0.758SS**  trans60.7108.7-174.145.80000115.3
412N26.9Very low31.2Very low138 Ų138136.6 Ų136.674%0.73876%0.76SS**  cis68.1124.845.8-162.818.9000113.6
413L36.4Very low31.2Very low139 Ų139136 Ų13673%0.72875%0.751SS**  trans31.2116.1159.3-80.7168000118
414Q29.2Very low31.2Very low159 Ų159135.4 Ų135.474%0.74375%0.748SS**  179.8164.1102.9-107.7172.83100116.8
415N31.6Very low31.2Very low109 Ų109134 Ų13458%0.58374%0.743SS**  trans68.5127.7141.1-68.7-14.1000122.3
416N32.3Very low31.2Very low137 Ų137134.7 Ų134.773%0.73375%0.752SS**  69157.8129.7-60.5-10000119.5
417C28Very low31.4Very low101 Ų101129.7 Ų129.768%0.68274%0.743SS**  cis-165.6156.3-31-107.90000109.9
418S30.1Very low31.8Very low105 Ų105132.9 Ų132.973%0.73475%0.75SS**  trans70.7146.1144.7-67.50000122.5
419V27.7Very low32.1Very low130 Ų130134.4 Ų134.479%0.78875%0.75SS**  trans75.2127.8139.9160.20000117.1
420T29.6Very low32.1Very low121 Ų121140.1 Ų140.174%0.74276%0.757SS**  cis-157.6171.48.52.80000115.7
421S31.4Very low32.4Very low106 Ų106140 Ų14074%0.74176%0.755SS**  trans80.7149.1165.487.30000116.3
422R31.5Very low32.7Very low225 Ų225141.5 Ų141.585%0.84975%0.753SS**  cis-144.299.97.6-175.6-178-67-136.9-0.4113.4
423V31Very low33.1Very low110 Ų110139.5 Ų139.567%0.66775%0.75SS**  50.9107.9120.7-178.30000121.5
424K35.3Very low33.4Very low180 Ų180142.5 Ų142.578%0.78376%0.757SS**  trans61152.3138.8-60.4175.8-170.61730121
425N33.6Very low33.8Very low142 Ų142141.7 Ų141.776%0.75976%0.763SS**  cis-173.2141.6-20.6-102-1.7000110.3
426T33.3Very low33.9Very low151 Ų151139.6 Ų139.693%0.92677%0.767SS**  trans-178.6157.8147.122.80000112
427S35Very low34.1Very low99 Ų99143.7 Ų143.769%0.69278%0.779SS**  -178.6102.5-79.71750000113.9
428T40.2Very low34.2Very low130 Ų130142.3 Ų142.380%0.79878%0.782SS**  trans-156.4119.2156.238.70000108.4
429K36.9Very low34.2Very low179 Ų179142.3 Ų142.378%0.77878%0.782SS**  67.7128.670.2-68.4176.1-179.4171.70112.3
430R32.8Very low34.3Very low214 Ų214144.4 Ų144.481%0.80879%0.787SS**  cis-161.3132.116.6-126.7-178.1177.7-166.40.2114.5
431L35.8Very low34.3Very low150 Ų150143.7 Ų143.779%0.78579%0.787SS**  trans54.3-175.8153.3-54.3166.6000116.6
432I38.9Very low34.2Very low147 Ų147146.6 Ų146.675%0.75479%0.794SS**  cis-151.2162.9-6.7-146.3162.1000106.7
433S34.3Very low34Very low96 Ų96142 Ų14267%0.67180%0.797SS**  cis-125.3-1589.3-76.90000109.6
434K43.2Very low33.9Very low201 Ų201140.1 Ų140.187%0.87480%0.799SS**  cis69.8139.915.1-57.4-178179.6-179.10116.5
435T37.7Very low33.6Very low142 Ų142136.2 Ų136.287%0.87180%0.8SS**  cis-126.9165.5-4.348.90000110.9
436G33.3Very low33.3Very low66 Ų66135.1 Ų135.168%0.6880%0.804SS**  cis156.1134.5-12.500000114.2
437K35.7Very low33.4Very low222 Ų222134.2 Ų134.297%0.96580%0.798SS**  trans69.5149-179.1-50177.9-178.4-177.90113.7
438G31.4Very low33.5Very low73 Ų73135.1 Ų135.175%0.75380%0.801SS**  cis132.9148.6800000109.3
439S29.8Very low32.9Very low104 Ų104134.8 Ų134.873%0.72780%0.799SS**  cis-177.2138.70.649.30000111.7
440L29.3Very low32.4Very low174 Ų174133.5 Ų133.591%0.91180%0.8SS**  trans63.4170.5159.6-52.3169000115.9
441S28.9Very low32.1Very low106 Ų106130.3 Ų130.374%0.74180%0.798SS**  cis-149.5153.21.251.80000113.6
442L29.8Very low31.6Very low167 Ų167128.7 Ų128.787%0.87480%0.795SS**  trans-7.4158.2152.9-67.3157.9000122.8
443S28.6Very low31Very low130 Ų130128 Ų12891%0.90979%0.793SS**  trans78.3150.6160.1-1400000116.5
444G28.4Very low31Very low70 Ų70129.3 Ų129.372%0.72279%0.792SS**  cis-156.1-171.63.200000112.6
445A28.8Very low30.3Very low98 Ų98125.7 Ų125.781%0.8179%0.787SS**  trans-93.7177-172.100000114.8
446S27.8Very low30Very low119 Ų119124.5 Ų124.583%0.83278%0.779SS**  trans89.7136.8170.479.80000117.6
447V34.3Very low29.9Very low131 Ų131129.2 Ų129.279%0.79478%0.783SS**  trans-102.4142.4170.71730000107
448P38.4Very low29.6Very low118 Ų118129 Ų12977%0.76678%0.777SS**  trans-126.4162.213936.3-28.8000112.7
449T27.2Very low29.9Very low123 Ų123130.6 Ų130.676%0.75578%0.776SS**  trans-103.9172.2-169.5-22.40000112.4
450L26Very low31.1Very low152 Ų152131.2 Ų131.280%0.79678%0.778SS**  trans78.7158.7149-80166.9000120.4
451L25.7Very low31.1Very low147 Ų147131.5 Ų131.577%0.7777%0.772SS**  trans68.4128.6170.9-62.7176.7000115.1
452T26.7Very low31.1Very low116 Ų116130.8 Ų130.871%0.71277%0.766SS**  cis56.5107.929.4780000113.1
453D26.9Very low31.1Very low133 Ų133130.7 Ų130.771%0.71177%0.766SS**  -169.5162.372.5-147.310.6000114.6
454N33Very low31.5Very low124 Ų124129.6 Ų129.666%0.66376%0.758SS**  trans61.6153.6161.2-59.6-54000119.3
455T29.4Very low32.1Very low125 Ų125131.3 Ų131.377%0.76776%0.759SS**  cis-155.6165.720.3-28.50000112.9
456V31.3Very low32.3Very low117 Ų117134.7 Ų134.771%0.70976%0.764SS**  trans83.795.7158.4-175.20000120.8
457Q31Very low32.6Very low164 Ų164138.6 Ų138.677%0.76677%0.766SS**  58.7141.1129.5-55.3-171.514.400125.6
458R29.2Very low32.7Very low219 Ų219140.3 Ų140.383%0.82677%0.765SS**  trans86.159.5139.9-133.1165.6-172.6148.1-2.4121.7
459S37.7Very low32.3Very low105 Ų105140.9 Ų140.973%0.73477%0.767SS**  15.4146.7125.463.80000120.8
460P54.8Low32.5Very low118 Ų118140 Ų14077%0.76677%0.765SS**  cis-138.5-154.813.144.7-23.8000112.5
461K29.6Very low32.6Very low180 Ų180141.5 Ų141.578%0.78377%0.768SS**  cis-157.5152.5-3.5-160.361.2-174.6-179.20111.1
462C28.8Very low33.6Very low91 Ų91139.2 Ų139.262%0.61576%0.762SS**  trans44.985.4154.6-72.60000122.7
463N29.3Very low33.5Very low164 Ų164139.6 Ų139.688%0.87777%0.768SS**  70150110.7-59.113000122.6
464S38.3Very low33.6Very low107 Ų107139.1 Ų139.175%0.74877%0.774SS**  trans-151166.3-173.1580000113.1
465S39.1Very low34Very low106 Ų106138.9 Ų138.974%0.74178%0.779SS**  trans31.5144148.560.20000123.4
466N32.8Very low34Very low170 Ų170139.4 Ų139.491%0.90978%0.782SS**  trans-137.8142.5162-99.2-13000112.6
467K34.5Very low33.8Very low200 Ų200141 Ų14187%0.8779%0.786SS**  trans-165.3148.4150.3-139-171.4178.9-162.60111.9
468E36.6Very low33.9Very low168 Ų168140.4 Ų140.479%0.78578%0.784SS**  trans-95.5177.3-173.6-44.8117.6112.800114.7
469T30.8Very low34.1Very low130 Ų130136.8 Ų136.880%0.79878%0.776SS**  -179133.1116.4-62.90000113.4
470S30.6Very low33.9Very low104 Ų104138.3 Ų138.373%0.72777%0.772SS**  trans48.8123.1156.971.70000125.6
471Q28.7Very low32.8Very low184 Ų184139.3 Ų139.386%0.8677%0.769SS**  23164.9119.7-99.4-164.4-2.100123.6
472P46.7Very low32.8Very low98 Ų98136.1 Ų136.164%0.63676%0.759SS**  cis-140.1-169.2-7.238.8-18000117.1
473C25.1Very low32.8Very low124 Ų124140.1 Ų140.184%0.83877%0.766SS**  trans93.3142.3158.2-69.40000121.2
474C28.9Very low32.7Very low124 Ų124137 Ų13784%0.83876%0.757SS**  trans-106.9-177.2-175.3-49.10000111.1
475P41.5Very low32.2Very low118 Ų118138 Ų13877%0.76676%0.759SS**  -158.6-17581.244.3-24.1000117.7
476V28Very low31.8Very low136 Ų136140.4 Ų140.482%0.82476%0.763SS**  trans77.4136.5160.7-177.70000119.3
477D28.7Very low31.7Very low150 Ų150138.8 Ų138.880%0.80276%0.759SS**  trans-90.9176.7-179.2-57.2-88.6000114.5
478Q32.3Very low31.5Very low153 Ų153133.8 Ų133.872%0.71576%0.755SS**  136.5109.1114.8-159.1165.114.100115
479E32.7Very low31.3Very low143 Ų143135.8 Ų135.867%0.66876%0.761SS**  trans62.6169.6145.4-67.9175-147.700120.3
480Q33.8Very low31.2Very low137 Ų137135.9 Ų135.964%0.6476%0.761SS**  cis-164.6171.8-44.5-106.3-173.861.600105.5
481I32.3Very low31.4Very low138 Ų138139 Ų13971%0.70876%0.764SS**  trans68.9141.7147.1-82.1166.1000116.4
482I30.2Very low31.4Very low113 Ų113136.1 Ų136.158%0.57976%0.76SS**  cis-165.8157.1-11-132.5174.3000109
483K27.6Very low30.5Very low176 Ų176136 Ų13677%0.76577%0.767SS**  trans35.6152.3153.3-58.9162.8-162.8168.30122.5
484S27.6Very low30.9Very low98 Ų98134.4 Ų134.469%0.68576%0.762SS**  cis172.3157.5-30.354.50000111.4
485V27.5Very low31.1Very low129 Ų129133.1 Ų133.178%0.78276%0.755SS**  trans87.4153.3159.8-169.70000118.5
486L31.9Very low30.8Very low156 Ų156136.7 Ų136.782%0.81776%0.758SS**  trans88130.5178-56.6-179000115.4
487T30.8Very low30.8Very low136 Ų136139.8 Ų139.883%0.83476%0.761SS**  cis-141.2167.22.315.50000114.2
488A29.8Very low31.7Very low94 Ų94140.6 Ų140.678%0.77776%0.764SS**  trans-59.4147.8-168.900000120.4
489K32.3Very low31.8Very low211 Ų211138.8 Ų138.892%0.91777%0.768SS**  -161.6157.7118.7-112.5174-176.6176.10112.2
490T29.2Very low32.2Very low131 Ų131141.6 Ų141.680%0.80478%0.778SS**  trans-98.4164.7174.950.10000110.4
491Q33.7Very low32.6Very low169 Ų169141.4 Ų141.479%0.7979%0.789SS**  cis-117.5-1699.3-50.3178.626.100110.1
492T28.9Very low32.6Very low125 Ų125142.3 Ų142.377%0.76779%0.794SS**  cis-156.8174.18.4-14.70000105.7
493A28.6Very low32.9Very low95 Ų95145.3 Ų145.379%0.78581%0.806SS**  cis-145.3-98.25.200000112.3
494A32.8Very low33.2Very low90 Ų90142.2 Ų142.274%0.74481%0.806SS**  trans-160152.8-164.200000110.6
495S33.4Very low33.3Very low97 Ų97141 Ų14168%0.67881%0.81SS**  cis-159.3129-8.6-109.20000114.2
496K34.5Very low34.6Very low193 Ų193141.2 Ų141.284%0.83981%0.814SS**  trans55.3118.5132.9-60.1-178.4179.8-178.40122.6
497K28.9Very low34.7Very low202 Ų202139 Ų13988%0.87881%0.812SS**  -139.7154.3129-66.2-171.4-178.8-178.10106.6
498L47.4Very low34.8Very low167 Ų167140.9 Ų140.987%0.87481%0.811SS**  cis-148.4-178.5-5.3-154.272.3000107.8
499S33.1Very low34.8Very low114 Ų114141.7 Ų141.780%0.79780%0.802SS**  trans-146.7142174.655.50000114.9
500K42.7Very low35Very low202 Ų202139 Ų13988%0.87879%0.79SS**  trans-113.2165.9164.3-68.1-174.9176.4-174.50109.8
501P41.6Very low35.2Very low133 Ų133137 Ų13786%0.86478%0.782SS**  trans-118-167.2145.933.8-21.2000112.7
502L31.7Very low35.1Very low157 Ų157136.4 Ų136.482%0.82278%0.779SS**  trans-155.9176.7-155.4-144.7140.3000111.2
503Q37.8Very low35.2Very low176 Ų176137.5 Ų137.582%0.82278%0.779SS**  trans78.5160.4165.3-65.4179.4-23.500118.5
504S32.2Very low35.3Very low111 Ų111138.1 Ų138.178%0.77677%0.773SS**  cis177.9148.5-44.954.20000111.2
505G30.5Very low35.3Very low74 Ų74141.6 Ų141.676%0.76377%0.774SS**  trans-176.1149.4168.800000116.3
506P55.3Low35.3Very low132 Ų132141.2 Ų141.286%0.85777%0.771SS**  trans-141.6168-163.543.6-25.2000119.9
507S33.3Very low35.2Very low111 Ų111137.5 Ų137.578%0.77677%0.769SS**  trans-168.2138140.957.70000107.6
508E33.6Very low35.3Very low175 Ų175132 Ų13282%0.81876%0.761SS**  63.613258.3-63.5-166.3168.600113.2
509D30.3Very low34.6Very low110 Ų110132.1 Ų132.159%0.58876%0.758SS**  cis-151.6161.816.9-15315.4000116.8
510K35.1Very low35.3Very low154 Ų154131 Ų13167%0.6775%0.747SS**  trans20.7147.4156.8-76.2167-158.174.40123.1
511S34.2Very low34.7Very low90 Ų90130.1 Ų130.163%0.62974%0.744SS**  cis-177.7-166.5-6.455.10000110.4
512E30.8Very low34.5Very low157 Ų157127.2 Ų127.273%0.73473%0.731SS**  cis-157.7-54.15.7-144.6150.8104.400117.1
513L31.3Very low34.7Very low148 Ų148127.6 Ų127.678%0.77573%0.729SS**  trans-131.9150-161.3-105.361000110.6
514V31.5Very low34.3Very low107 Ų107124.4 Ų124.465%0.64872%0.717SS**  cis-169.2165.7-9.7930000106.7
515H33.2Very low34.3Very low164 Ų164126.6 Ų126.676%0.75972%0.715SS**  cis-145-153.96.8-111-49.5000106.8
516S32.8Very low34.5Very low88 Ų88130.3 Ų130.362%0.61571%0.71SS**  -157.5173-87.9-79.20000109.7
517S32.3Very low33.5Very low115 Ų115130.3 Ų130.380%0.80470%0.699SS**  trans51.694.5-171.550.10000113.8
518A30.8Very low33.5Very low87 Ų87131 Ų13172%0.71969%0.694SS**  cis66.2103.637.600000111.9
519E33.6Very low33.4Very low170 Ų170128.4 Ų128.479%0.79468%0.684SS**  98.9170.380.4-82.4-102.6-14900110.2
520P46.5Very low33.3Very low90 Ų90133.4 Ų133.458%0.58470%0.695SS**  cis-138.2-174.1-3.221.35.9000117.6
521F30.6Very low33.6Very low183 Ų183132.9 Ų132.980%0.80370%0.704SS**  trans80.8105.2159.7-69.6-69.2000118.1
522A38.3Very low33.2Very low73 Ų73134.8 Ų134.860%0.60371%0.712SS**  cis71.814924.800000114.3
523Q35.4Very low33.2Very low165 Ų165138.5 Ų138.577%0.77172%0.719SS**  cis-166.5177.5-9.5-117.4175.921.500106.5
524N29.3Very low33Very low108 Ų108142.3 Ų142.358%0.57872%0.723SS**  cis-148174.87.5-108-35.6000106.9
525H32.2Very low32.9Very low158 Ų158141.1 Ų141.173%0.73172%0.72SS**  51.114360.4-61.4-54000114.7
526K35.1Very low32.8Very low152 Ų152140.2 Ų140.266%0.66172%0.715SS**  cis-160.2-173.2-1.5-120170.7150.1-154.20106.6
527E33.8Very low32.8Very low131 Ų131142.6 Ų142.661%0.61273%0.726SS**  cis-161.9157.49.9-134.4143.7176.500109.7
528D32.3Very low32.6Very low126 Ų126140.1 Ų140.167%0.67472%0.718SS**  35.9152.6129.5-74.130.3000124.5
529I32.4Very low32.6Very low121 Ų121144.4 Ų144.462%0.62173%0.729SS**  cis-168.8176.9-21.9-137170.3000109.8
530R27.6Very low32.5Very low215 Ų215139.7 Ų139.781%0.81173%0.726SS**  trans85.3128.4157.8-115.1168.1-75.2-124.6-2.4120.5
531V42Very low31.9Very low143 Ų143143.2 Ų143.287%0.86774%0.74SS**  trans-106.7139.4167.4172.70000109
532V26.6Very low32Very low130 Ų130142.6 Ų142.679%0.78874%0.744SS**  trans-140.9141.8169.4-175.30000111.4
533R30Very low31.6Very low235 Ų235142.8 Ų142.889%0.88775%0.746SS**  trans-74.9155.1175.5-53.3164.8173.5143-7.3111.7
534R26.9Very low31.3Very low228 Ų228144 Ų14486%0.8675%0.749SS**  -162.5145115.6-130.3169.7-176.71495114.9
535S29.2Very low31.5Very low82 Ų82146.6 Ų146.657%0.57376%0.758SS**  trans-68.7173.5173.142.20000114.3
536H30.5Very low31.5Very low144 Ų144147.1 Ų147.167%0.66776%0.76SS**  165.6137.1109.6-82.4-63.2000113
537V32.8Very low31.3Very low139 Ų139146 Ų14684%0.84276%0.761SS**  trans52.1132.3150.1-174.30000118.9
538G28.2Very low31.1Very low62 Ų62142.5 Ų142.564%0.63976%0.76SS**  cis118.6100.50.600000113.6
539N31.5Very low31.4Very low177 Ų177146.8 Ų146.895%0.94777%0.773SS**  trans-170.8155.1164.2-125.9-23000115.5
540G31Very low31.3Very low71 Ų71149.8 Ų149.873%0.73278%0.784SS**  trans9598.314600000120.2
541N33.8Very low31.7Very low164 Ų164150.5 Ų150.588%0.87779%0.787SS**  trans-112124.9164.8-86.5-38000111.6
542L32.6Very low31.3Very low170 Ų170152.6 Ų152.689%0.8978%0.784SS**  trans-169.9126.4155.8-131.966.8000107.6
543A29.6Very low31.5Very low78 Ų78150 Ų15065%0.64578%0.783SS**  cis93.1125.325.200000115.5
544K30.9Very low31.6Very low191 Ų191144.6 Ų144.683%0.8377%0.772SS**  trans71.2157.4169.1-60178.6-179.41770116.7
545Q32.1Very low32.3Very low162 Ų162139 Ų13976%0.75777%0.768SS**  cis-168.6168.4-24.7-109.9173.4-3500108.9
546H33.5Very low33Very low169 Ų169143.9 Ų143.978%0.78277%0.774SS**  trans65.8163.8161.4-107-169.8000116.3
547N30.2Very low33.4Very low128 Ų128143.5 Ų143.568%0.68478%0.777SS**  cis-150.2140.9-24.2-141.4-3.5000105.1
548G30.4Very low33.7Very low57 Ų57143 Ų14359%0.58877%0.774SS**  84.1102.36000000112.2
549K36.9Very low33.9Very low216 Ų216148.8 Ų148.894%0.93978%0.781SS**  trans-158.9153.7159.3-111.9158.9-170.6173.20111.6
550H30.6Very low34.5Very low184 Ų184148.7 Ų148.785%0.85278%0.779SS**  trans-112.4169.5-162.1-69.7-99.8000114.4
551R37.4Very low34.6Very low231 Ų231150.8 Ų150.887%0.87278%0.778SS**  trans111.9150.8143.9-64.2-168.8178-161.51.1116.3
552K33.3Very low34.6Very low186 Ų186151.8 Ų151.881%0.80977%0.774SS**  cis-171.6118.8-25.6174.4174.9178.4179.20110.4
553G31Very low34.7Very low75 Ų75149.7 Ų149.777%0.77377%0.768SS**  trans79.7-179.7156.500000118.1
554N30.5Very low34.8Very low122 Ų122154.2 Ų154.265%0.65277%0.773SS**  cis-170.994-19.8-179.944.7000112.7R556N554-R556 PolarHBondContact ND2-NH2 3.43Å; N554-R556 PolarHBondContact OD1-NH2 2.93Å
555S43.3Very low35.1Very low112 Ų112150.9 Ų150.978%0.78377%0.774SS**  trans-165.4134167.438.90000108.8
556R43.7Very low35.3Very low183 Ų183147.6 Ų147.669%0.69177%0.766SS**  cis65.1117.912.7-72.4-170.2-82.6176-9.7114N554N554-R556 PolarHBondContact ND2-NH2 3.43Å; N554-R556 PolarHBondContact OD1-NH2 2.93Å
557N39.1Very low35.3Very low137 Ų137146.5 Ų146.573%0.73377%0.765SS**  cis-139.8-1713-52.8-76.1000109.2
558V37.9Very low35.4Very low129 Ų129151 Ų15178%0.78277%0.773SS**  cis-155.2130.746.6172.50000113.2
559K33.6Very low35.5Very low182 Ų182154.4 Ų154.479%0.79178%0.782SS**  trans7.4130151.5-54171.4-177.7174.20120.5
560I42.3Very low35.1Very low175 Ų175148.8 Ų148.890%0.89777%0.77SS**  trans-121.2138.2133.3-60.8179.1000107.7
561T33.5Very low35.1Very low115 Ų115145.9 Ų145.971%0.70677%0.766SS**  trans-123.5153.1179.344.60000108.6
562K33.2Very low34.6Very low185 Ų185143.3 Ų143.380%0.80477%0.766SS**  cis163.7167-2.9-179.7-174.1173.7-178.40103
563V34.9Very low34.6Very low126 Ų126142.1 Ų142.176%0.76477%0.767SS**  trans83.7135.2165.5-174.60000114.7
564K33.3Very low34.5Very low173 Ų173143.1 Ų143.175%0.75277%0.768SS**  cis-170.2141.6-20.7167.6-177.1176-173.60109
565S35.5Very low34.4Very low121 Ų121142.5 Ų142.585%0.84677%0.774SS**  trans-158152.3152.6-169.30000110.1
566T37.4Very low33.7Very low94 Ų94143.8 Ų143.858%0.57777%0.767SS**  trans-153.9133.4-167.447.80000114.9
567N33.2Very low33Very low146 Ų146144.2 Ų144.278%0.78177%0.769SS**  trans71111.7144.9-58.6-3.2000122.2
568R32.3Very low32.6Very low223 Ų223146 Ų14684%0.84277%0.77SS**  44.2139.4115.3-94.4-175.3163.6-161.4-4.8122.6
569T33.1Very low32.1Very low128 Ų128148.8 Ų148.879%0.78577%0.774SS**  trans65.9151.9145.448.40000119.5
570S29Very low32.2Very low97 Ų97146.7 Ų146.768%0.67878%0.776SS**  cis-161.5162.9-18-168.50000110.9
571T30.3Very low32.2Very low124 Ų124143.9 Ų143.976%0.76177%0.77SS**  trans4.4137154.752.60000121.9
572M27.2Very low32.1Very low177 Ų177143.1 Ų143.187%0.87277%0.769SS**  -168.6164.4129.3-108.3-57.8-83.800113.7
573L33.2Very low32.1Very low160 Ų160140.8 Ų140.884%0.83876%0.761SS**  trans-119.4130.2172.9-77.2170.3000111.4
574A27.6Very low32.1Very low96 Ų96141.6 Ų141.679%0.79375%0.754SS**  trans-172.3142.9159.800000107.5
575S30Very low32.1Very low110 Ų110142 Ų14277%0.76976%0.756SS**  cis82.1100.411.5-154.80000117.9
576E28.3Very low31.8Very low139 Ų139141.1 Ų141.165%0.6574%0.742SS**  trans63136.2154.1-74.5-146.8120.500123.3
577R29Very low31.6Very low191 Ų191143.9 Ų143.972%0.72175%0.746SS**  trans68.1137.1143.6-73.5171.9-155.9-91.4-15.7118.2
578K29.9Very low31.4Very low176 Ų176145.9 Ų145.977%0.76575%0.748SS**  cis-134.3174.9-12.2-72179.3178.31710106.2
579E28.3Very low31.2Very low186 Ų186140.1 Ų140.187%0.86974%0.741SS**  cis-153.4-173.144.6-74.2-168.8131.800114
580V35.8Very low31.1Very low138 Ų138141.9 Ų141.984%0.83674%0.744SS**  trans-115.7149.6-170.6166.60000107
581P42.1Very low31.6Very low117 Ų117144.4 Ų144.476%0.7675%0.749SS**  cis-126.8-167.237.231.8-7.4000113.2
582S31.1Very low32.1Very low98 Ų98144.5 Ų144.569%0.68575%0.751SS**  cis-158.2149.120.4-1560000115.4
583E32.8Very low32.2Very low137 Ų137142.5 Ų142.564%0.6474%0.744SS**  trans45.9124.2146.9-71.9-162.9153.800126
584K34.7Very low32.3Very low142 Ų142144.1 Ų144.162%0.61775%0.745SS**  72.2119.6128.6-66.6170.2-173.4153.10122.2
585K32.8Very low32.4Very low182 Ų182146.1 Ų146.179%0.79175%0.747SS**  trans68160.2131.3-68.6-177.6179.8-1770117.8
586D30.4Very low32.7Very low103 Ų103148.7 Ų148.755%0.55175%0.751SS**  cis-151.1163.7-20.4-132.4-31.7000109.4
587K33.4Very low33.4Very low152 Ų152147.3 Ų147.366%0.66175%0.754SS**  trans34.1122.8146.2-70.2153-164.5140.20122.7
588F27.8Very low33.6Very low187 Ų187144.4 Ų144.482%0.8276%0.757SS**  67.2126.5128-72.6-57.8000123.3
589C29.2Very low34Very low102 Ų102143.1 Ų143.169%0.68976%0.759SS**  87.3124.8125.9-78.90000123.4
590L29.6Very low34.5Very low165 Ų165141.5 Ų141.586%0.86476%0.756SS**  trans83133.6135.8-66.2168.1000120.6
591I40.4Very low34.3Very low151 Ų151138.7 Ų138.777%0.77476%0.755SS**  trans-85140.6168.9-53.5160.2000108
592P40.5Very low33.8Very low125 Ų125145.1 Ų145.181%0.81276%0.764SS**  trans-133.8176.613325.8-7.8000113.5
593N29.8Very low33.9Very low136 Ų136145.1 Ų145.173%0.72776%0.764SS**  trans-117.8150.9-169.2-103-64.7000112.4
594K34.2Very low34Very low193 Ų193145.6 Ų145.684%0.83977%0.771SS**  trans58.8132.7150.1-64.4176.7177.1-174.10121
595V30.6Very low33.9Very low138 Ų138147.8 Ų147.884%0.83678%0.783SS**  trans-141.6148.4148.41790000109.5
596L36Very low34.3Very low165 Ų165146.2 Ų146.286%0.86479%0.788SS**  trans-129.8149.5165.7-82.4168.3000108.3
597P43.6Very low34.7Very low109 Ų109150.2 Ų150.271%0.70880%0.801SS**  -143.8140.1128.727.1-6.7000113.7
598V33.8Very low35Very low131 Ų131149 Ų14979%0.79481%0.806SS**  75.3120.590.8178.80000115
599D37Very low35.6Very low148 Ų148144.6 Ų144.679%0.79180%0.798SS**  -173.2174.6110.2-137.5-78.4000112.4
600D38.3Very low35.9Very low153 Ų153146.5 Ų146.582%0.81880%0.802SS**  trans-86.3154-166.9-77-50.4000114.8
601G32.4Very low36.5Very low78 Ų78148.6 Ų148.680%0.80480%0.804SS**  82.2123.783.600000112
602R31.3Very low36Very low252 Ų252145.2 Ų145.295%0.95181%0.807SS**  cis-162.7161.424.3-178.3-178-171.7-127.96.6110.2
603S34.6Very low36Very low99 Ų99144.9 Ų144.969%0.69281%0.807SS**  trans102.7113.5167.9-157.50000117.4
604N33.1Very low36.4Very low147 Ų147143.4 Ų143.479%0.78681%0.807SS**SBendtrans26.3120.4152.8-49.9-16.9000118.3
605H32.5Very low36.5Very low187 Ų187140.3 Ų140.387%0.86681%0.81SS**  cis-149.3127.240.8-150-101000109.6
606V41.2Very low36.6Very low150 Ų150137.3 Ų137.391%0.90981%0.807SS**  trans-76.7145.8-153.6-172.10000114.8
607K40.3Very low36.5Very low187 Ų187136.7 Ų136.781%0.81380%0.804SS**  trans-155.8158.2-163.7-151.1179.5-174.3177.50113.6
608V39.8Very low36.2Very low125 Ų125139.7 Ų139.776%0.75881%0.806SS**  trans82.9102.6160.9-167.50000120.8
609S39.6Very low36Very low96 Ų96139.8 Ų139.867%0.67180%0.802SS**  44.5139.7118.9-147.40000126
610N36.5Very low35.7Very low142 Ų142139.7 Ų139.776%0.75980%0.8SS**  trans83.1115.7141.4-88.6-23.3000124.4
611K40.6Very low35.3Very low208 Ų208137.5 Ų137.590%0.90480%0.796SS**  trans43.7114.4141.3-78.1-178171.4177.70121.1
612G31.1Very low35.2Very low81 Ų81138 Ų13884%0.83579%0.793SS**  trans-175.8146.7158.800000113.3
613S39.3Very low35.4Very low118 Ų118131.7 Ų131.783%0.82579%0.787SS**  trans-91.6153.1-167.4-58.60000116.9
614S39.5Very low35.3Very low104 Ų104133.4 Ų133.473%0.72779%0.794SS**  trans75.8130.9137.360.80000123.8
615S36.5Very low35.3Very low128 Ų128133.5 Ų133.590%0.89579%0.794SS**  trans74.3140.8148.874.40000120.1
616G31.6Very low35.3Very low75 Ų75132 Ų13277%0.77379%0.791SS**  trans151.264.7169.100000119.5
617L35Very low34.8Very low152 Ų152129.1 Ų129.180%0.79678%0.783SS**  trans31.3124.1148.1-59.4173.9000123.1
618K35.8Very low34.4Very low173 Ų173123.9 Ų123.975%0.75278%0.782SS**  71118.1128.4-68.3178.8177.5177.10122.9
619N30.4Very low34.3Very low132 Ų132124.9 Ų124.971%0.70679%0.788SS**  101.8111125.2-70.211.6000123.6
620I31.3Very low35.5Very low146 Ų146125.4 Ų125.475%0.74979%0.789SS**  trans76.1109.1133.7-53.7164.1000120.5
621S28.6Very low35.1Very low107 Ų107125 Ų12575%0.74879%0.787SS**  trans159.4113.8133.8-71.70000110.1
622A30.6Very low34.8Very low89 Ų89122.6 Ų122.674%0.73678%0.777SS**  61.9100.189.300000113.5
623S35Very low35.1Very low119 Ų119127.1 Ų127.183%0.83278%0.776SS**  74.9122.769.3-620000114.9
624T33.3Very low35.8Very low136 Ų136126.3 Ų126.383%0.83477%0.768SS**  trans-168.3157.6161.8-80.20000112.6
625L32.4Very low35.4Very low148 Ų148132.9 Ų132.978%0.77578%0.777SS**  trans105.7124.2175.7-63.6178.1000112.5
626L32.4Very low35.3Very low157 Ų157131.7 Ų131.782%0.82277%0.769SS**  cis-144.8176.9-2.8-79.9119.3000107.9
627A31.8Very low35.4Very low89 Ų89133.2 Ų133.274%0.73676%0.763SS**  cis-176.4140.4-40.700000108.9
628G31.7Very low35.3Very low77 Ų77133.7 Ų133.779%0.79476%0.761SS**  trans80.6157.1168.200000118
629V37Very low35.1Very low145 Ų145132.1 Ų132.188%0.87976%0.76SS**  cis-165.5157.7-22.7114.70000108.1
630P64.1Low35.1Very low107 Ų107130.7 Ų130.770%0.69576%0.76SS**  trans-119.2177.9-151.743.6-36.1000117.1
631D28.2Very low35.1Very low135 Ų135129.4 Ų129.472%0.72276%0.759SS**  -169164.1123.9-121-3.7000120
632K35Very low35.3Very low157 Ų157135.6 Ų135.668%0.68377%0.766SS**  trans12.5126.8161.1-45.8-55.4157.2140.30121.2
633Q36.9Very low35.5Very low175 Ų175137 Ų13782%0.81877%0.77SS**  78.816469.8-87.7-156.2-8.300116.9
634P55Low35.4Very low102 Ų102134.6 Ų134.666%0.66276%0.764SS**  cis-145.1168.6-48.441.6-24.5000116.1
635R30.4Very low35.4Very low241 Ų241134.4 Ų134.491%0.90976%0.763SS**  trans-180137.5141.1-112.4177.9177.7-174.9-0.5117.2
636S34.2Very low35.3Very low104 Ų104134.1 Ų134.173%0.72776%0.761SS**  trans62.8148.5140.7-1240000121.4
637T33.7Very low35.5Very low106 Ų106134.1 Ų134.165%0.6576%0.755SS**  cis-157.6149.34.6-26.90000113.6
638Q33.1Very low35.5Very low162 Ų162136.7 Ų136.776%0.75775%0.751SS**  trans69.5141141.3-93.7173.49.100126
639I31.6Very low35.5Very low141 Ų141140.2 Ų140.272%0.72375%0.747SS**  trans65.2138.3145.3-63.5160.6000118.8
640S31Very low35.3Very low101 Ų101139 Ų13971%0.70673%0.731SS**  cis128.7147.4-11.3-166.20000115
641V31.6Very low33.9Very low120 Ų120142.4 Ų142.473%0.72774%0.737SS**  trans69.5112.1168.1-142.50000120.3
642R33.1Very low34Very low237 Ų237139.3 Ų139.389%0.89474%0.738SS**  175.3135.5105.3-93.4-173.9177.2-172.5-1.7115.9
643S34.3Very low33.9Very low117 Ų117138.4 Ų138.482%0.81874%0.741SS**  trans-79.6172.7162.4-41.60000110.8
644G33.3Very low33.9Very low70 Ų70136.8 Ų136.872%0.72273%0.733SS**  cis100.4114.210.100000112.9
645V32.2Very low33Very low131 Ų131140.2 Ų140.279%0.79474%0.74SS**  trans-160.3133.4-177.6135.20000112.7
646L31.2Very low33Very low142 Ų142132.6 Ų132.674%0.74372%0.723SS**  trans45.9158.7152.6-81.957.3000122.7
647K36Very low33Very low158 Ų158136 Ų13669%0.68773%0.727SS**  cis-176.5159.5-33.2-120.2-169.5-172.5-179.40110.1
648Q31.6Very low33.3Very low143 Ų143138.6 Ų138.667%0.66873%0.731SS**  trans68.9153.7152.8-68.7168.4-68.300117.7
649H31.6Very low33.6Very low151 Ų151136.1 Ų136.170%0.69973%0.73SS**  cis-164.2157.6-6.3-115.3-36.3000113.7
650H33.5Very low33.8Very low120 Ų120138.2 Ų138.256%0.55674%0.736SS**  trans68.3124.7143-71.7-58.1000126
651H33.4Very low33.6Very low177 Ų177136.7 Ų136.782%0.81974%0.736SS**  trans56.6165.8146.4-52.4-55.3000119.9
652G31.3Very low33.5Very low71 Ų71136.8 Ų136.873%0.73274%0.741SS**  cis170.9167.6-5.500000109.7
653N32.5Very low33.2Very low138 Ų138134 Ų13474%0.73874%0.738SS**  cis-148.2-93.7-7.3-158.866.3000114.8
654H37.9Very low33.2Very low141 Ų141136 Ų13665%0.65373%0.734SS**  trans-151.9170.9-166.6-70.2-21.1000115.8
655H35.2Very low33Very low174 Ų174142.9 Ų142.981%0.80675%0.745SS**  trans77.6152.3155.9-58.7-47.1000118.2
656S31.1Very low33Very low81 Ų81143.2 Ų143.257%0.56674%0.741SS**  cis-171.7-179.9-15.5171.60000110.1
657H34.4Very low33Very low176 Ų176142.7 Ų142.782%0.81574%0.743SS**  trans89.5119.3160.5-55.4-73.6000121
658H39.8Very low32.9Very low159 Ų159141.7 Ų141.774%0.73675%0.75SS**  trans-101.2151.3154.4-142.7-51.4000107.9
659P38.7Very low33.2Very low111 Ų111139.2 Ų139.272%0.72175%0.754SS**  trans-117.7165.2150.435.1-27.5000112.1
660H36.1Very low33.6Very low185 Ų185141.6 Ų141.686%0.85676%0.762SS**  trans-122.5164.1176-63.3-89.1000110.3
661G27.7Very low33.8Very low69 Ų69141.6 Ų141.671%0.71177%0.772SS**  trans163.4108.5160.100000115.8
662C29.3Very low33.7Very low121 Ų121142.3 Ų142.382%0.81877%0.773SS**  trans46.9149.9145.5-57.40000121.4
663E25.8Very low33.8Very low180 Ų180149.3 Ų149.384%0.84178%0.779SS**  cis-150.6-176.5-4.2-132.5171.617200111.6
664Q33.6Very low33.9Very low158 Ų158150.6 Ų150.674%0.73878%0.778SS**  trans-91.2151.8-169.2-54.3174.814.400113.7
665F29.1Very low33.7Very low214 Ų214153.1 Ų153.194%0.93978%0.782SS**  trans-150.2164.9136.9-97.4-65000111.5
666I33.8Very low33.4Very low139 Ų139150.5 Ų150.571%0.71377%0.774SS**  trans-116-179.9-159.8-64.7167.4000110.5
667V30Very low33.8Very low131 Ų131154.7 Ų154.779%0.79479%0.79SS**  trans78.4140177.3-149.60000110.3
668V35.3Very low33.9Very low137 Ų137156.6 Ų156.683%0.8379%0.792SS**  cis-137162.336.1-173.70000113.5
669A36.9Very low33.8Very low90 Ų90160.4 Ų160.474%0.74480%0.799SS**PPolyproline II helixtrans-69.2167.7-17200000118
670K39.3Very low34Very low202 Ų202161 Ų16188%0.87880%0.803SS**PPolyproline II helixtrans-82.4130.7171.9-60.7173179.6173.80113.5
671P38Very low34Very low119 Ų119160.4 Ų160.477%0.77381%0.805SS**PPolyproline II helixtrans-101.4127144.233.3-25.7000109.2
672K32.8Very low34.8Very low192 Ų192168.4 Ų168.484%0.83581%0.814SS**  68.5109.255.2-72.1-169.6174.6177.50115
673Y33.2Very low35.1Very low219 Ų219166.8 Ų166.886%0.85981%0.81SS**  trans69.7156.9163.5-99.1-130.1000115
674K33.1Very low35.7Very low165 Ų165165.7 Ų165.772%0.71781%0.808SS**  cis-157.1145.515.8-167.2176.1177-174.90111.6
675R33.5Very low36.1Very low193 Ų193165.9 Ų165.973%0.72881%0.811SS**  trans39.1129.3156.7-83.1-175.9151.879.9-4.5122.2
676N30.6Very low36.5Very low120 Ų120164.7 Ų164.764%0.64281%0.808SS**  47125.2127.3-52.521000121.1
677D39.8Very low37.1Very low168 Ų168163.9 Ų163.990%0.89881%0.81SS**  -148.5142.4124.6-104-33.5000110.6
678Y34.8Very low37.8Very low217 Ų217163.6 Ų163.685%0.85181%0.81SS**PPolyproline II helixtrans-91.3134.4174.2-81.8-100.1000109.8
679R38.7Very low37.4Very low238 Ų238163.1 Ų163.190%0.89881%0.812SS**PPolyproline II helixtrans-101.2143.9167.8-75.3-171.1179.7-105.32.4111.2
680P42.8Very low37.7Very low123 Ų123167.2 Ų167.280%0.79982%0.821SS**PPolyproline II helixtrans-71.8158.3179.5-17.231.9000113.6
681L36.6Very low37.6Very low173 Ų173161 Ų16191%0.90682%0.815SS**PPolyproline II helixtrans-64.6148168.8-68.7163.6000111.1
682R44Very low37.4Very low237 Ų237162.3 Ų162.389%0.89482%0.82SS**PPolyproline II helixtrans-97.7144165.6-57.8-164.4-143.7-154.19.6110
683A36.4Very low37.5Very low88 Ų88160.4 Ų160.473%0.72782%0.819SS**  trans-82.7-161.3160.100000110.5
684I38.4Very low37.8Very low156 Ų156159.9 Ų159.980%0.882%0.821SS**  trans84.6129.2-164.2-52.7158000109.2
685M41Very low37.9Very low163 Ų163161.3 Ų161.380%0.80383%0.83SS**  cis-138145.924.3-152.1134.659.300113.3
686E36.7Very low37.7Very low188 Ų188155.4 Ų155.488%0.87983%0.829SS**  trans-84.7152.4163.9-65.3176.9165.800110.1
687V47.8Very low37.7Very low123 Ų123157.8 Ų157.875%0.74584%0.836SS**  trans-126.4127.6176.6-179.90000108.8
688P43.6Very low37.1Very low125 Ų125162 Ų16281%0.81284%0.84SS**PPolyproline II helixtrans-66.9150.7-177.8-22.534.2000114.4
689C28.3Very low37.2Very low127 Ų127162.1 Ų162.186%0.85884%0.839SS**PPolyproline II helixtrans-103127.2171.1-62.80000110.9
690D42.9Very low36.8Very low176 Ų176158.7 Ų158.794%0.94183%0.833SS**PPolyproline II helixtrans-95.6143.2158.4-89-49.5000110
691G35.9Very low36.2Very low72 Ų72164.3 Ų164.374%0.74284%0.838SS**  trans-124.4152.9-169.800000114.7
692V33.7Very low36Very low146 Ų146165.4 Ų165.489%0.88584%0.836SS**  trans-136.4128.8168-174.10000110
693N35.2Very low35.8Very low152 Ų152163.8 Ų163.881%0.81384%0.835SS**  trans-72.3138.4-175.5-61.7-49000113.5
694K39.2Very low35.7Very low208 Ų208166.4 Ų166.490%0.90484%0.842SS**  trans-140.8130.5148.6-70.4-165.3176.8178.40111.3
695H35.5Very low35.5Very low195 Ų195165.2 Ų165.290%0.90384%0.836SS**  trans-86.6132.7-178.4-90.7-81.8000113.3
696G29.2Very low35Very low69 Ų69169.2 Ų169.271%0.71184%0.842SS**  81.1175.7120.900000121.3
697Q30.6Very low34.7Very low170 Ų170166.3 Ų166.379%0.79483%0.833SS**  trans58.987.9163.7-64.3-70.6-1.800118.4
698W28.4Very low33.8Very low257 Ų257166 Ų16697%0.97384%0.836SS**  trans-131.687.8151.6-110.874.4000112.4
699R36.4Very low33.2Very low219 Ų219164.9 Ų164.983%0.82684%0.838SS**  trans-144.6140.4167.5-85-74.9-158.3-105.95108.2
700Q29.3Very low33.4Very low166 Ų166163.1 Ų163.178%0.77683%0.832SS**  trans61103160.4-63.6-69.3-2.100119.8
701R30.7Very low32.8Very low240 Ų240164 Ų16491%0.90683%0.828SS**  -177.1134.1127.3-93.6147.8-169.3-130.42.3107.8
702K32.7Very low32.6Very low197 Ų197167.1 Ų167.186%0.85783%0.832SS**  cis111.3121.430.7-168.4172.7-170.9179.50109.1
703K40.6Very low32.2Very low202 Ų202170.8 Ų170.888%0.87883%0.832SS**  trans-69.4150.1-169.5-55.8174.7179.6179.40113.4
704V33.9Very low32.6Very low143 Ų143168.6 Ų168.687%0.86783%0.826SS**  trans-140.1145.7153.2-178.40000110
705L34.5Very low31.9Very low131 Ų131165.1 Ų165.169%0.68682%0.822SS**  trans-57.6158.8-176.8-89.351000116.3N707L705-N707 WeakPolarHBondContact CG-OD1 3.35Å
706R29.4Very low31.6Very low247 Ų247161.5 Ų161.593%0.93282%0.819SS**  -141.6139.3127.5-151.4179.1-63.9-160.93.3109.4
707N30.2Very low31.5Very low127 Ų127162 Ų16268%0.67982%0.824SS**  trans-117.3145.6-173-58.9-14.9000111.1L705L705-N707 WeakPolarHBondContact CG-OD1 3.35Å
708S29.8Very low31.4Very low117 Ų117157.1 Ų157.182%0.81882%0.82SS**  trans-166.4122.8151.753.30000113
709A30.5Very low31.5Very low102 Ų102153.2 Ų153.284%0.84381%0.812SS**  trans12.9153.6147.900000122.8
710A31.8Very low31.1Very low90 Ų90151.3 Ų151.374%0.74481%0.812SS**  cis-176.4174.6-15.400000111.3
711K31.3Very low31Very low195 Ų195149.3 Ų149.385%0.84882%0.816SS**  trans87.2130.8160.9-67.5-172.9172.6-178.40120.9
712T32.3Very low30.9Very low136 Ų136142.6 Ų142.683%0.83481%0.806SS**  trans64.7104.7148.742.20000122
713Y24.8Very low30.8Very low223 Ų223142.4 Ų142.488%0.87581%0.808SS**  trans-64.3180147.1-67.7-76.5000113.4
714P42.5Very low30.2Very low106 Ų106142.8 Ų142.869%0.68881%0.805SS**  cis-133.9-169.1-12.725-0.3000114.6
715T26.4Very low30.1Very low135 Ų135140.8 Ų140.883%0.82880%0.797SS**  trans91.1154.3145.4-51.90000119
716S28.3Very low30Very low120 Ų120141.6 Ų141.684%0.83980%0.802SS**  trans86.5111.9174.2-153.50000115.7
717G28Very low30.3Very low79 Ų79136.1 Ų136.181%0.81480%0.796SS**  trans-95.2-172.7176.500000113.1
718G28.5Very low30.5Very low68 Ų68135 Ų13570%0.70180%0.804SS**  trans147.8134.3171.600000113.2
719Q29.1Very low30.7Very low174 Ų174132.8 Ų132.881%0.81380%0.8SS**  trans57.6113.3155.4-74156.7-34.200118
720Q28.1Very low31.1Very low179 Ų179133.8 Ų133.884%0.83680%0.801SS**  63.2122.684.6-71.9-168.840.600114.7
721C27.2Very low31.7Very low125 Ų125136.7 Ų136.785%0.84580%0.804SS**  -158.7157.599.8-1480000111.8
722S29.1Very low32.4Very low99 Ų99132.7 Ų132.769%0.69280%0.801SS**  trans-84.7154.9163.7-1790000109.4
723Q30.1Very low32.9Very low193 Ų193135.4 Ų135.490%0.90280%0.804SS**  trans-126.3113.8-179.4-154.3167.217.900111
724Y28.9Very low33.7Very low210 Ų210135.1 Ų135.182%0.82480%0.803SS**  trans-124.5156.5177.1-115.5-86000108.7
725S30.5Very low34.1Very low100 Ų100133.5 Ų133.570%0.69979%0.793SS**  trans72.4153.8165.891.10000116.1
726N32.7Very low34.8Very low149 Ų149131.7 Ų131.780%0.79779%0.793SS**  cis-152.6161.5-3.3-130.5-8.8000115
727V37Very low35.4Very low132 Ų132133.7 Ų133.780%0.879%0.788SS**  trans-45.4142.9170.8177.90000115.8
728A34.2Very low36Very low103 Ų103136 Ų13685%0.85179%0.791SS**  168.8138.2126.200000114.6
729G32.7Very low36.7Very low70 Ų70138.6 Ų138.672%0.72279%0.793SS**  trans152.6125171.300000111.7
730S40.7Very low37.5Very low124 Ų124135.6 Ų135.687%0.86779%0.791SS**  trans-156.1130.1-173-53.70000115.1
731D42.8Very low38.8Very low151 Ų151132.6 Ų132.681%0.80778%0.78SS**  trans-150.5120.4164.132.74.2000107.1
732S47.6Very low39.8Very low111 Ų111135 Ų13578%0.77678%0.776SS**  60.1122.985.3-155.40000111.6
733E41.6Very low40.4Very low192 Ų192138.8 Ų138.890%0.89778%0.783SS**  cis-141.7-149.346.1-67.4-176.4162.100114.9
734Y42.3Very low40.9Very low218 Ų218135.3 Ų135.386%0.85578%0.78SS**  trans-118.4135.4-140.3-163.5-114.3000116.4
735S51.1Low41.8Very low71 Ų71131.3 Ų131.350%0.49778%0.777SS.*  trans42.4123.5150.3-60.50000123
736A40.3Very low42.4Very low98 Ų98132.9 Ų132.981%0.8178%0.777SS**  trans-151.648.9147.100000112.8C738A736-C738 PolarHBondContact O-N 3.43Å
737E41.4Very low43.2Very low161 Ų161132 Ų13275%0.75278%0.776SS**  trans-69.7108.5-177.660.4-166.2130.800113.2V739E737-V739 PolarHBondContact O-N 3.19Å
738C40.9Very low43.1Very low127 Ų127131.9 Ų131.986%0.85877%0.771SS**  trans-92.796.1174.8-72.40000110.7A736 S740A736-C738 PolarHBondContact O-N 3.43Å; C738-S740 PolarHBondContact O-N 3.02Å
739V42.2Very low43.7Very low124 Ų124133.1 Ų133.175%0.75277%0.769SS**  trans-68.795.8175.7-176.80000110.9E737E737-V739 PolarHBondContact O-N 3.19Å
740S46.3Very low44.6Very low111 Ų111135.3 Ų135.378%0.77677%0.773SS**  trans-94.596.4154.7-158.60000106.3C738C738-S740 PolarHBondContact O-N 3.02Å
741L55.1Low45.1Very low115 Ų115138.1 Ų138.160%0.60277%0.772SS**  54.2111.262.3-155.176.2000111.2
742F49.2Very low45.3Very low175 Ų175138 Ų13877%0.76877%0.772SS**  trans72.468.9178.1-49.8-62.4000118.1
743H41.2Very low45.6Very low179 Ų179141.1 Ų141.183%0.82978%0.78SS**  trans-134.399.2138.2-75-65.1000109.2
744S40.4Very low46.1Very low120 Ų120143.1 Ų143.184%0.83978%0.779SS**  trans-12877.7167.2-60.90000106.9I746S744-I746 PolarHBondContact O-N 3.25Å
745T47.9Very low46.2Very low126 Ų126138.6 Ų138.677%0.77378%0.779SS**  trans-78.598.4169.942.70000108
746I43.7Very low46.1Very low133 Ų133142.5 Ų142.568%0.68280%0.795SS**  trans-61.3146.5156.346.9174.7000108.8S744 D748S744-I746 PolarHBondContact O-N 3.25Å; I746-D748 PolarHBondContact O-N 3.06Å
747V48.8Very low46.5Very low130 Ų130147 Ų14779%0.78879%0.792SS**  trans-85.396175.4173.80000107.3T749V747-T749 HydrophobicContact CG1-CG2 4.14Å; V747-T749 PolarHBondContact O-N 3.33Å
748D35.8Very low46.9Very low130 Ų130146 Ų14670%0.69580%0.797SS**  trans-81.592.4170.2-78.1-42.6000109.7I746 S750I746-D748 PolarHBondContact O-N 3.06Å; D748-S750 PolarHBondContact O-N 2.88Å
749T45.4Very low47.2Very low130 Ų130144.1 Ų144.180%0.79878%0.782SS**  trans-7789.2161.2470000108.9V747V747-T749 HydrophobicContact CG1-CG2 4.14Å; V747-T749 PolarHBondContact O-N 3.33Å
750S53Low47.5Very low116 Ų116144.8 Ų144.881%0.81178%0.781SS**  trans-94.699.5170.3380000109.9D748D748-S750 PolarHBondContact O-N 2.88Å
751E50.1Low47.8Very low182 Ų182144.7 Ų144.785%0.8578%0.779SS**  trans-100.4-178.9163.4-152.3164143.600108.7
752D47.5Very low47Very low150 Ų150148.2 Ų148.280%0.80279%0.79SS**  trans6372.3180-70.9-25.3000118.1R754D752-R754 VanDerWaalsContact C-N 3.27Å; D752-R754 PolarHBondContact O-N 2.95Å
753D54.1Low46.8Very low175 Ų175143.1 Ų143.194%0.93679%0.787SS**  trans-89.651.4164.5-152.93.8000111.4
754R50.8Low46.7Very low234 Ų234142.7 Ų142.788%0.88379%0.79SS**  trans-147.798179.9-86.9-166.9170.8-165.9-1.8114.4D752D752-R754 VanDerWaalsContact C-N 3.27Å; D752-R754 PolarHBondContact O-N 2.95Å
755S44.8Very low46.7Very low123 Ų123142.2 Ų142.286%0.8679%0.787SS**  trans-155.5134.2137.552.20000110.5
756N49.8Very low46.2Very low154 Ų154145.1 Ų145.182%0.82479%0.792SS**  trans-103.6128.2179.5-84.1-57000110.8
757Y48.2Very low45.9Very low191 Ų191143.8 Ų143.875%0.74979%0.794SS**  40.893.7127.4-156-85.8000117.7T759Y757-T759 HydrophobicContact CD1-CG2 4.41Å; Y757-T759 HydrophobicContact CE1-CG2 3.72Å; Y757-T759 WeakPolarHBondContact CE1-OG1 3.38Å; Y757-T759 HydrophobicContact CE2-CG2 4.11Å
758T49.4Very low45.6Very low140 Ų140141.9 Ų141.986%0.85979%0.787SS**  trans-125.683.9158.9470000110.5N760T758-N760 PolarHBondContact O-N 3.16Å
759T48.5Very low45.7Very low88 Ų88144.7 Ų144.754%0.5480%0.796SS.*  trans-68.6113.2166.847.20000109.5Y757 C761Y757-T759 HydrophobicContact CD1-CG2 4.41Å; Y757-T759 HydrophobicContact CE1-CG2 3.72Å; Y757-T759 WeakPolarHBondContact CE1-OG1 3.38Å; Y757-T759 HydrophobicContact CE2-CG2 4.11Å; T759-C761 PolarHBondContact O-N 2.95Å
760N47Very low45.2Very low139 Ų139146.8 Ų146.874%0.74380%0.797SS**  trans-74.4118.2174.8-176.837.7000110.7T758 F762T758-N760 PolarHBondContact O-N 3.16Å; N760-F762 PolarHBondContact O-N 2.83Å
761C53.8Low44.6Very low108 Ų108149.3 Ų149.373%0.7380%0.796SS**  trans-89.190.7179.8-59.80000111.2T759T759-C761 PolarHBondContact O-N 2.95Å
762F38.5Very low43.9Very low190 Ų190150.4 Ų150.483%0.83379%0.793SS**  trans-151.8134.4165.9-91-74.5000111.1N760N760-F762 PolarHBondContact O-N 2.83Å
763G45.3Very low43.3Very low68 Ų68148.4 Ų148.470%0.70179%0.787SS**  trans111.525.5163.900000117.7S765G763-S765 PolarHBondContact O-N 3.02Å
764D37.8Very low42.4Very low169 Ų169148.4 Ų148.490%0.90478%0.781SS**  trans-65.4118.7156-70-44.9000108.3
765S41.1Very low41.4Very low111 Ų111144.8 Ų144.878%0.77677%0.774SS**  trans-142.4113.2171.6-700000109.1G763G763-S765 PolarHBondContact O-N 3.02Å
766E37.6Very low40.9Very low187 Ų187144.7 Ų144.787%0.87476%0.764SS**  trans-67.2142.6-179.959.6-119.773.900114.7
767S37.8Very low40.2Very low104 Ų104143.2 Ų143.273%0.72776%0.761SS**  trans-178.9104.7142.7-155.50000106.2
768S41.9Very low39.4Very low91 Ų91139.9 Ų139.964%0.63676%0.76SS**  36.5106.176.969.40000112.3
769E36.8Very low38.6Very low188 Ų188139.7 Ų139.788%0.87976%0.759SS**  113.3-17575.6-173.3160.3166.500107.5
770E36Very low38Very low174 Ų174141.9 Ų141.981%0.81377%0.773SS**  trans82.8119.617293.1-171.8171.500119.7
771E39.5Very low37.3Very low169 Ų169143 Ų14379%0.7978%0.779SS**  trans-111.7112.8-177.5166.6-167.9168.100108
772Y35.5Very low36.6Very low205 Ų205142.5 Ų142.580%0.80477%0.772SS**  trans-144.2120.6161.5-73.5-78.2000107.3
773V35.1Very low37.3Very low109 Ų109142 Ų14266%0.66177%0.772SS**  7389.964.1-179.20000112.8
774E35.3Very low36.7Very low174 Ų174148.4 Ų148.481%0.81378%0.784SS**  61.3153.1128.5-143.7164.1-168.900122.3
775E30.2Very low36.7Very low159 Ų159145.4 Ų145.474%0.74378%0.776SS**  trans66.4145172.6-55.4-149.1125.100118.1
776N34.7Very low36.4Very low120 Ų120147.1 Ų147.164%0.64278%0.782SS**  cis-164.9150.1-20.5-105.8-24000109.2
777T34.3Very low36.2Very low123 Ų123142.1 Ų142.176%0.75578%0.78SS**  trans165121.9132.348.80000113.5
778T31.1Very low35.9Very low122 Ų122141 Ų14175%0.74879%0.785SS**  trans53140.4137.565.30000121.4
779T32Very low35.5Very low135 Ų135140.3 Ų140.383%0.82879%0.793SS**  cis-162.5157.4-7.213.90000108.5
780T36.5Very low36Very low135 Ų135138 Ų13883%0.82879%0.794SS**  trans-85154.6174.347.90000113.1
781D31.9Very low35.9Very low163 Ų163133.7 Ų133.787%0.87280%0.797SS**  trans-128.4154.5167-171.524.8000110.3
782T39Very low35.6Very low97 Ų97129.7 Ų129.760%0.59580%0.8SS**  trans-147161.8-156-25.40000112.8
783E53.9Low35.6Very low178 Ų178123.9 Ų123.983%0.83280%0.803SS**  trans43126.8153.373.8-158.2151.400122.5
784E33.8Very low35.5Very low204 Ų204123 Ų12395%0.95382%0.816SS**  trans-140.2141150.1-164.7-173.999.600109.9
785S37.6Very low35.4Very low105 Ų105118.7 Ų118.773%0.73482%0.819SS**  trans-155.4128.9-173.5-170.10000113.7
786V35Very low35.8Very low148 Ų148117.7 Ų117.790%0.89783%0.829SS**  trans72.9134.3157.7172.60000119.8
787G32.4Very low35.7Very low81 Ų81115.5 Ų115.584%0.83583%0.834SS**  trans111.6143.4172.300000112.7
788G31.9Very low35.9Very low80 Ų80116.8 Ų116.883%0.82584%0.843SS**  cis178.2153.5-5.900000109
789G33Very low35.9Very low78 Ų78114.7 Ų114.780%0.80485%0.845SS**  trans-85.7-167.717500000113.3
790P46.8Very low35.9Very low138 Ų138119.6 Ų119.690%0.89685%0.848SS**  cis-141.2-177.44.443.1-24.9000116.5
791G34.2Very low35.6Very low85 Ų85122.4 Ų122.488%0.87685%0.852SS**  trans85.1159.9163.900000116.7
792G33.5Very low35.5Very low84 Ų84126.1 Ų126.187%0.86685%0.853SS**  cis170.4146-11.700000112.9
793G34.9Very low35Very low84 Ų84124.7 Ų124.787%0.86686%0.858SS**  trans101.4108.1160.300000120.1
794G33.6Very low34.3Very low89 Ų89124.5 Ų124.592%0.91886%0.857SS**  trans43.5127.4137.600000124
795G32.7Very low34.2Very low85 Ų85120.8 Ų120.888%0.87684%0.843SS**  trans177.9139.8160.700000113
796S38.3Very low34Very low138 Ų138123.7 Ų123.797%0.96584%0.838SS**  trans-132.5140.6179-174.90000110.8
797G33Very low33.9Very low73 Ų73122 Ų12275%0.75383%0.828SS**  trans168.7145.3177.700000114.1
798T39.9Very low33.9Very low151 Ų151122.1 Ų122.193%0.92682%0.821SS**  trans-95.6136.2-178.952.80000112.5
799G30.4Very low33.7Very low77 Ų77125.7 Ų125.779%0.79481%0.81SS**  trans-164.7151.6172.200000113.3
800R30.6Very low33.6Very low238 Ų238128 Ų12890%0.89881%0.808SS**  trans-81.8137.3171.6-61.6176.2177.9-135.61.3109.4
801H31.9Very low33Very low195 Ų195126.9 Ų126.990%0.90380%0.799SS**  -175.2-177.2123.2-110.5-111.3000111.9
802R29.8Very low32.9Very low241 Ų241129.6 Ų129.691%0.90980%0.798SS**  trans-109140.9-161.9-174.3-170.7-165.6-132.511.4112.5
803G28.2Very low32.8Very low67 Ų67129 Ų12969%0.69179%0.792SS**  trans93.8105.9174.900000111.6
804Q37.8Very low32.5Very low174 Ų174134.2 Ų134.281%0.81379%0.791SS**  cis71.1138.740.8-153.7-155.561.400113.2
805L33.6Very low32.3Very low126 Ų126137.7 Ų137.766%0.6679%0.787SS**  trans73.9158.5-179-48.5137.7000112.2
806R33.4Very low32.3Very low165 Ų165141.9 Ų141.962%0.62378%0.784SS**  cis-134.3-168.413.9-116.3114.2-164.8-147.92.6109.7R809R806-R809 HydrophobicContact CG-CG 4.34Å
807T32.3Very low32.2Very low114 Ų114143.2 Ų143.270%0.69978%0.777SS**SBendcis-154.5161.922.3-20.50000107.7R809T807-R809 HydrophobicContact CG2-CG 4.37Å
808A31.5Very low32.1Very low83 Ų83145.9 Ų145.969%0.68677%0.774SS**  cis-133.9139.81.400000109.4
809R29Very low32.3Very low154 Ų154144.7 Ų144.758%0.58177%0.769SS**  65.5152.863.2-57.3-178.3-159.7-175.99.2112.6R806 T807R806-R809 HydrophobicContact CG-CG 4.34Å; T807-R809 HydrophobicContact CG2-CG 4.37Å
810V30.2Very low32.9Very low126 Ų126144.5 Ų144.576%0.76476%0.76SS**  cis-130.6141.40.4-178.30000107.8
811T34.3Very low33.5Very low115 Ų115140.2 Ų140.271%0.70675%0.75SS**  cis8372.1-9.583.40000121.2
812V31.2Very low34.3Very low143 Ų143136.5 Ų136.587%0.86775%0.746SS**  trans-168.7145146136.50000109.8
813G31.3Very low35.5Very low71 Ų71131.8 Ų131.873%0.73273%0.732SS**  cis176.8-159.1-1.100000110.5
814K30Very low36.3Very low193 Ų193134.8 Ų134.884%0.83974%0.737SS**  cis-163.9118-16.2173.2-167.1173.6-1710108.8
815L29.8Very low37.1Very low162 Ų162135.5 Ų135.585%0.84874%0.738SS**  trans-154128.4140-16561000109.2
816E30.9Very low38.4Very low174 Ų174135 Ų13581%0.81374%0.74SS**  trans-122.2147-177.6-176.5175.2-16100108.2
817M36.8Very low40.2Very low166 Ų166136.5 Ų136.582%0.81875%0.751SS**  trans-134.9148178.7-91.3-69.1146.900111.9
818D30.8Very low42.3Very low128 Ų128137.8 Ų137.868%0.68475%0.752SS**  trans-71.5139.9-157-167.962.8000114.6A820D818-A820 PolarHBondContact O-N 3.31Å; D818-A820 WeakPolarHBondContact OD2-CB 3.39Å
819P45.4Very low44.6Very low126 Ų126143.9 Ų143.982%0.81876%0.763SS**SBendtrans-81.744-174.835.1-37.2000113.8
820A41.3Very low47Very low74 Ų74138.5 Ų138.561%0.61275%0.752SS**  trans-106.511.3-171.900000116.1D818D818-A820 PolarHBondContact O-N 3.31Å; D818-A820 WeakPolarHBondContact OD2-CB 3.39Å
821Q44.7Very low49.6Very low148 Ų148135.9 Ų135.969%0.69274%0.739SS**  trans-133.989.9169.8-70.2-168.23.600112.6K823Q821-K823 HydrophobicContact CB-CG 4.37Å; Q821-K823 PolarHBondContact O-N 2.73Å
822S47.2Very low52.2Low117 Ų117138.5 Ų138.582%0.81874%0.737SS**  trans-72.572.4169.6600000111.2T824S822-T824 PolarHBondContact O-N 2.78Å
823K55.3Low54.9Low141 Ų141137.1 Ų137.161%0.61373%0.725SS**  trans-54.6121.7-178.5-68.5175.3-177.61770110.2Q821 F825Q821-K823 HydrophobicContact CB-CG 4.37Å; Q821-K823 PolarHBondContact O-N 2.73Å; K823-F825 WeakPolarHBondContact O-CD2 3.46Å; K823-F825 PolarHBondContact O-N 2.8Å
824T45Very low57.5Low130 Ų130137.7 Ų137.780%0.79871%0.711SS**  trans-68.4102.6-175.542.40000110.6S822 V826S822-T824 PolarHBondContact O-N 2.78Å; T824-V826 VanDerWaalsContact C-N 3.33Å; T824-V826 PolarHBondContact O-N 3.07Å
825F55.8Low60.2Low189 Ų189134.5 Ų134.583%0.82970%0.697SS**  trans-69.284.5-178.4-68.9-75.6000112.1K823 K827K823-F825 WeakPolarHBondContact O-CD2 3.46Å; K823-F825 PolarHBondContact O-N 2.8Å; F825-K827 PolarHBondContact O-N 3.26Å
826V59.6Low62.8Low116 Ų116133.5 Ų133.570%0.70368%0.682SS**  trans-61.6103.5173.7-177.10000109.5T824 I828T824-V826 VanDerWaalsContact C-N 3.33Å; T824-V826 PolarHBondContact O-N 3.07Å; V826-I828 VanDerWaalsContact C-N 3.27Å; V826-I828 HydrophobicContact CG1-CG1 4Å; V826-I828 PolarHBondContact O-N 2.8Å
827K72.8Confident65.3Low196 Ų196131.7 Ų131.785%0.85267%0.671SS**  trans-7676.1177.9-74.5177.6179.4169.30111F825 K829F825-K827 PolarHBondContact O-N 3.26Å; K827-K829 PolarHBondContact O-N 3.45Å; K827-K829 VanDerWaalsContact O-N 3.15Å
828I75Confident67.4Low142 Ų142127.8 Ų127.873%0.72865%0.653SS**  trans-58.5116.4174-57.3177.2000109.4V826 A830V826-I828 VanDerWaalsContact C-N 3.27Å; V826-I828 HydrophobicContact CG1-CG1 4Å; V826-I828 PolarHBondContact O-N 2.8Å; I828-A830 PolarHBondContact O-N 3.02Å
829K79.4Confident69.6Low210 Ų210126 Ų12691%0.91364%0.643SS**  trans-75.673.2174.1-78.7175.961.7-176.30110.8K827K827-K829 PolarHBondContact O-N 3.45Å; K827-K829 VanDerWaalsContact O-N 3.15Å
830A80Confident71.1Confident41 Ų41128.2 Ų128.234%0.33964%0.635SS.*  trans-57.2145.1169.200000111.5I828 L834I828-A830 PolarHBondContact O-N 3.02Å; A830-L834 HydrophobicContact CB-CB 4.27Å; A830-L834 HydrophobicContact CB-CD2 3.89Å; A830-L834 HydrophobicContact CB-CG 4.09Å
831S85.5Confident72.3Confident71 Ų71132 Ų13250%0.49764%0.638SS.*  trans-60.9156.2173.273.20000111.3N833 L834 K835S831-N833 PolarHBondContact O-N 2.96Å; S831-L834 PolarHBondContact O-N 3.34Å; S831-L834 VanDerWaalsContact O-N 3.07Å; S831-L834 WeakPolarHBondContact OG-CB 3.49Å; S831-L834 PolarHBondContact OG-N 3.42Å; S831-K835 PolarHBondContact O-N 3.4Å
832Y88.1Confident73.4Confident170 Ų170134.2 Ų134.267%0.66764%0.64SS**Hα-helixtrans-55-39.4177.9177.5-104.1000112.1R836Y832-R836 WeakPolarHBondContact O-CB 3.42Å; Y832-R836 PolarHBondContact O-N 3.3Å
833N88.5Confident73.9Confident115 Ų115134 Ų13462%0.61564%0.639SS**Hα-helixtrans-66.3-42.2176.6-72.4-20.2000112.4S831 R836 K837S831-N833 PolarHBondContact O-N 2.96Å; N833-R836 CarbonylContact O-C 3.56Å; N833-R836 PolarHBondContact O-N 2.94Å; N833-K837 PolarHBondContact O-N 3.06Å
834L86.1Confident74Confident82 Ų82129.9 Ų129.943%0.42964%0.636SS.*Hα-helixtrans-66.6-45.4176.2179.657.3000111.3A830 S831 R836 K837 I838A830-L834 HydrophobicContact CB-CB 4.27Å; A830-L834 HydrophobicContact CB-CD2 3.89Å; A830-L834 HydrophobicContact CB-CG 4.09Å; S831-L834 PolarHBondContact O-N 3.34Å; S831-L834 VanDerWaalsContact O-N 3.07Å; S831-L834 WeakPolarHBondContact OG-CB 3.49Å; S831-L834 PolarHBondContact OG-N 3.42Å; L834-R836 VanDerWaalsContact C-N 3.27Å; L834-R836 PolarHBondContact O-N 2.84Å; L834-K837 PolarHBondContact O-N 2.95Å; L834-I838 HydrophobicContact CD1-CD1 3.98Å; L834-I838 HydrophobicContact CD1-CG1 4.23Å; L834-I838 HydrophobicContact CG-CD1 3.94Å; L834-I838 WeakPolarHBondContact O-CG1 3.32Å; L834-I838 PolarHBondContact O-N 2.7Å
835K87.1Confident74.5Confident127 Ų127129.2 Ų129.255%0.55264%0.636SS**Hα-helixtrans-57.8-39.7173.2-173.5176.3179.1179.20111.6S831 L839S831-K835 PolarHBondContact O-N 3.4Å; K835-L839 HydrophobicContact CG-CD1 3.96Å; K835-L839 HydrophobicContact CG-CG 4.49Å; K835-L839 WeakPolarHBondContact O-CB 3.4Å; K835-L839 VanDerWaalsContact O-CG 3.3Å; K835-L839 WeakPolarHBondContact O-CG 3.22Å; K835-L839 PolarHBondContact O-N 2.77Å
836R83.1Confident74.5Confident141 Ų141126.8 Ų126.853%0.53263%0.632SS.*Hα-helixtrans-77.9-12.8176.5-163178.8-175.5-145.91.7114Y832 N833 L834 R840Y832-R836 WeakPolarHBondContact O-CB 3.42Å; Y832-R836 PolarHBondContact O-N 3.3Å; N833-R836 CarbonylContact O-C 3.56Å; N833-R836 PolarHBondContact O-N 2.94Å; L834-R836 VanDerWaalsContact C-N 3.27Å; L834-R836 PolarHBondContact O-N 2.84Å; R836-R840 WeakPolarHBondContact O-CG 3.24Å; R836-R840 PolarHBondContact O-NE 2.75Å
837K84.3Confident74.6Confident136 Ų136130 Ų13059%0.59164%0.636SS**Hα-helixtrans-79.3-56.7163.4-78-172.1175.5-172.50109.3N833 L834 L839 R840 F841N833-K837 PolarHBondContact O-N 3.06Å; L834-K837 PolarHBondContact O-N 2.95Å; K837-L839 VanDerWaalsContact C-N 3.31Å; K837-L839 PolarHBondContact O-N 3.38Å; K837-R840 WeakPolarHBondContact O-CB 3.34Å; K837-R840 PolarHBondContact O-N 2.66Å; K837-F841 VanDerWaalsContact O-CD2 3.31Å; K837-F841 WeakPolarHBondContact O-CD2 3.46Å
838I81Confident73.7Confident84 Ų84127.1 Ų127.143%0.43163%0.629SS.*Hα-helixtrans-54.7-42.9-178-65.1166.5000112.1L834 R840 F841L834-I838 HydrophobicContact CD1-CD1 3.98Å; L834-I838 HydrophobicContact CD1-CG1 4.23Å; L834-I838 HydrophobicContact CG-CD1 3.94Å; L834-I838 WeakPolarHBondContact O-CG1 3.32Å; L834-I838 PolarHBondContact O-N 2.7Å; I838-R840 PolarHBondContact O-N 3.01Å; I838-F841 PolarHBondContact O-N 3.37Å; I838-F841 VanDerWaalsContact O-N 3.16Å
839L75.9Confident72.6Confident91 Ų91127.7 Ų127.748%0.47663%0.631SS.*G310 helixtrans-64.2-21.7179.3-76.8169.3000114.5K835 K837 F841 R842K835-L839 HydrophobicContact CG-CD1 3.96Å; K835-L839 HydrophobicContact CG-CG 4.49Å; K835-L839 WeakPolarHBondContact O-CB 3.4Å; K835-L839 VanDerWaalsContact O-CG 3.3Å; K835-L839 WeakPolarHBondContact O-CG 3.22Å; K835-L839 PolarHBondContact O-N 2.77Å; K837-L839 VanDerWaalsContact C-N 3.31Å; K837-L839 PolarHBondContact O-N 3.38Å; L839-F841 VanDerWaalsContact C-N 3.35Å; L839-R842 PolarHBondContact O-N 2.99Å
840R76.6Confident71.6Confident171 Ų171123.3 Ų123.365%0.64562%0.622SS**G310 helixtrans-70.4-34.3174.7-61.5177.5-147.4-166.25.3111.7R836 K837 I838 R842R836-R840 WeakPolarHBondContact O-CG 3.24Å; R836-R840 PolarHBondContact O-NE 2.75Å; K837-R840 WeakPolarHBondContact O-CB 3.34Å; K837-R840 PolarHBondContact O-N 2.66Å; I838-R840 PolarHBondContact O-N 3.01Å; R840-R842 VanDerWaalsContact C-N 3.27Å; R840-R842 PolarHBondContact O-N 2.75Å
841F67.8Low70.4Confident154 Ų154127.3 Ų127.368%0.67564%0.642SS**G310 helixtrans-82.1-1178.9-57.9-72.4000113.4K837 I838 L839K837-F841 VanDerWaalsContact O-CD2 3.31Å; K837-F841 WeakPolarHBondContact O-CD2 3.46Å; I838-F841 PolarHBondContact O-N 3.37Å; I838-F841 VanDerWaalsContact O-N 3.16Å; L839-F841 VanDerWaalsContact C-N 3.35Å
842R68.4Low68.4Low194 Ų194133.9 Ų133.973%0.73268%0.679SS**G310 helixtrans-98.37-179.2-74.2-172.562.51542.5114.5L839 R840L839-R842 PolarHBondContact O-N 2.99Å; R840-R842 VanDerWaalsContact C-N 3.27Å; R840-R842 PolarHBondContact O-N 2.75Å
843S57Low67.4Low114 Ų114132.1 Ų132.180%0.79768%0.68SS**SBendtrans-12615.3-176.1-56.30000114
844G56.6Low66.3Low54 Ų54133 Ų13356%0.55768%0.683SS**SBendtrans-151.3143.3170.400000109L846G844-L846 PolarHBondContact O-N 3.4Å
845S55.6Low65.2Low115 Ų115135.8 Ų135.880%0.80470%0.697SS**  trans-60.6124.9175.650.70000109.9K847S845-K847 PolarHBondContact O-N 2.86Å
846L56.3Low63.9Low139 Ų139136.4 Ų136.473%0.72871%0.706SS**  trans-71.778.8173.3-169.678.4000109G844 L848G844-L846 PolarHBondContact O-N 3.4Å; L846-L848 VanDerWaalsContact C-N 3.31Å; L846-L848 HydrophobicContact CD2-CD2 4.29Å; L846-L848 PolarHBondContact O-N 3.39Å
847K61.1Low62.7Low183 Ų183136.1 Ų136.180%0.79672%0.716SS**  trans-69.492.2174.3-173.4177-179.3-179.20108S845 M849S845-K847 PolarHBondContact O-N 2.86Å; K847-M849 PolarHBondContact O-N 2.78Å; K847-M849 VanDerWaalsContact O-N 3.09Å
848L55.3Low61.2Low136 Ų136136.1 Ų136.171%0.71273%0.725SS**  trans-58.1111.9164.7-65.7173.4000106.9L846 T850L846-L848 VanDerWaalsContact C-N 3.31Å; L846-L848 HydrophobicContact CD2-CD2 4.29Å; L846-L848 PolarHBondContact O-N 3.39Å; L848-T850 PolarHBondContact O-N 3.15Å
849M51.3Low59.8Low153 Ų153139.8 Ų139.875%0.75475%0.746SS**  trans-94.680.6176.1-166.9175.484.600107.2K847 T851K847-M849 PolarHBondContact O-N 2.78Å; K847-M849 VanDerWaalsContact O-N 3.09Å; M849-T851 PolarHBondContact O-N 2.93Å
850T58.6Low58.6Low119 Ų119143.5 Ų143.573%0.7377%0.766SS**  trans-65.6108.9166.445.90000107.8L848L848-T850 PolarHBondContact O-N 3.15Å
851T55.3Low57.1Low125 Ų125141.3 Ų141.377%0.76778%0.777SS**  trans-68.9131.2162.344.80000108.3M849M849-T851 PolarHBondContact O-N 2.93Å
852V42.1Very low56.1Low209 Ų209140.1 Ų140.1100%1.26779%0.786SS**  trans-108.50163.7-178.10000105.6

Retrieved 852 of 852 residues in 137.5 ms (Link to these results)