A0A3Q0KL55_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KL55, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,083 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M25.2Very low31.9Very low246 Ų246111 Ų111100%1.21262%0.623SS**  0155.30-95.4-166.2164.700109.2
2S26Very low32.9Very low113 Ų113109.6 Ų109.679%0.7961%0.605SS**  trans69.369.2-174.1-60.60000116.2
3T26.8Very low33.7Very low130 Ų130105.2 Ų105.280%0.79859%0.586SS**  trans12.3119136.655.40000118.2
4S30.1Very low34.2Very low81 Ų81106.5 Ų106.557%0.56659%0.591SS**  trans-137.861.717255.60000113.3C6 H7S4-C6 PolarHBondContact O-N 3.16Å; S4-H7 PolarHBondContact O-N 3.07Å
5N34.4Very low34.7Very low130 Ų130104.9 Ų104.970%0.69558%0.576SS**THydrogen-bonded Turntrans-52.8-3.9174.5-57.438.5000115.5S9N5-S9 PolarHBondContact O-N 3.22Å; N5-S9 PolarHBondContact O-OG 3.48Å
6C30.2Very low35.6Very low69 Ų69103.2 Ų103.247%0.46657%0.565SS.*Hα-helixtrans-49.8-48.1170.1-179.20000113.4S4 S9 N10S4-C6 PolarHBondContact O-N 3.16Å; C6-S9 PolarHBondContact O-OG 3.46Å; C6-N10 WeakPolarHBondContact O-CB 3.17Å; C6-N10 PolarHBondContact O-N 3.32Å; C6-N10 PolarHBondContact O-ND2 3.5Å; C6-N10 PolarHBondContact O-OD1 3.02Å
7H34.9Very low36.2Very low122 Ų122101.6 Ų101.657%0.56556%0.556SS**Hα-helixtrans-69.3-45.5-175.5-66.2-96.1000110.7S4 S9 N10 I11S4-H7 PolarHBondContact O-N 3.07Å; H7-S9 PolarHBondContact O-N 2.7Å; H7-N10 PolarHBondContact O-N 3.32Å; H7-N10 VanDerWaalsContact O-N 3.13Å; H7-I11 WeakPolarHBondContact O-CB 3.45Å; H7-I11 VanDerWaalsContact O-CG1 3.31Å; H7-I11 WeakPolarHBondContact O-CG1 3.27Å; H7-I11 PolarHBondContact O-N 3.49Å
8F32.3Very low36.6Very low106 Ų10697.3 Ų97.347%0.46554%0.536SS..Hα-helixtrans-57.8-44.1177.2-121.7-86000113.1N10 K12 W110F8-N10 VanDerWaalsContact C-N 3.34Å; F8-N10 PolarHBondContact O-N 3.36Å; F8-K12 VanDerWaalsContact O-CB 3.27Å; F8-K12 WeakPolarHBondContact O-CB 3.48Å; F8-K12 PolarHBondContact O-N 2.85Å; F8-W110 AromaticContact CE1-CD1 3.79Å; F8-W110 HydrophobicContact CZ-CB 4.28Å; F8-W110 AromaticContact CZ-CD1 3.92Å; F8-W110 HydrophobicContact CZ-CG 4.31Å
9S38.1Very low37.1Very low67 Ų6794.3 Ų94.347%0.46952%0.521SS..Hα-helixtrans-66.5-35.5176.755.30000113N5 C6 H7 S13N5-S9 PolarHBondContact O-N 3.22Å; N5-S9 PolarHBondContact O-OG 3.48Å; C6-S9 PolarHBondContact O-OG 3.46Å; H7-S9 PolarHBondContact O-N 2.7Å; S9-S13 WeakPolarHBondContact O-CB 3.33Å; S9-S13 PolarHBondContact O-N 3.01Å; S9-S13 PolarHBondContact O-OG 3.28Å
10N37.5Very low37.7Very low84 Ų8497.7 Ų97.745%0.44953%0.532SS..Hα-helixtrans-73.3-46.6-179.4-66.2-9.9000110.9C6 H7 F8 S13 L14C6-N10 WeakPolarHBondContact O-CB 3.17Å; C6-N10 PolarHBondContact O-N 3.32Å; C6-N10 PolarHBondContact O-ND2 3.5Å; C6-N10 PolarHBondContact O-OD1 3.02Å; H7-N10 PolarHBondContact O-N 3.32Å; H7-N10 VanDerWaalsContact O-N 3.13Å; F8-N10 VanDerWaalsContact C-N 3.34Å; F8-N10 PolarHBondContact O-N 3.36Å; N10-S13 PolarHBondContact O-N 3.37Å; N10-S13 PolarHBondContact O-OG 2.81Å; N10-L14 WeakPolarHBondContact O-CB 3.17Å; N10-L14 PolarHBondContact O-N 3.35Å
11I35.9Very low38.1Very low73 Ų7397.5 Ų97.537%0.37453%0.531SS..Hα-helixtrans-59.8-46.4175.5-66.5164.6000110.1H7 S13 L14 F15 F96H7-I11 WeakPolarHBondContact O-CB 3.45Å; H7-I11 VanDerWaalsContact O-CG1 3.31Å; H7-I11 WeakPolarHBondContact O-CG1 3.27Å; H7-I11 PolarHBondContact O-N 3.49Å; I11-S13 PolarHBondContact O-N 3.2Å; I11-L14 WeakPolarHBondContact O-CB 3.13Å; I11-L14 PolarHBondContact O-N 2.76Å; I11-F15 PolarHBondContact O-N 2.96Å; I11-F96 HydrophobicContact CD1-CZ 4.37Å
12K43.1Very low38.9Very low94 Ų9488.2 Ų88.241%0.40950%0.498SS..Hα-helixtrans-59-47.1174.3176.1163-178.4169.90111.9F8 L14 F15 D16F8-K12 VanDerWaalsContact O-CB 3.27Å; F8-K12 WeakPolarHBondContact O-CB 3.48Å; F8-K12 PolarHBondContact O-N 2.85Å; K12-L14 VanDerWaalsContact C-N 3.28Å; K12-L14 PolarHBondContact O-N 3.03Å; K12-F15 PolarHBondContact O-N 2.66Å; K12-F15 VanDerWaalsContact O-N 3.13Å; K12-D16 WeakPolarHBondContact CE-OD2 3.07Å; K12-D16 VanDerWaalsContact CG-OD2 3.28Å; K12-D16 WeakPolarHBondContact CG-OD2 3.41Å; K12-D16 WeakPolarHBondContact O-CB 3.16Å; K12-D16 VanDerWaalsContact O-CG 3.27Å; K12-D16 PolarHBondContact O-N 2.87Å
13S43.1Very low39.8Very low52 Ų5288.6 Ų88.636%0.36449%0.488SS..Hα-helixtrans-65.1-31177.673.70000113.2S9 N10 I11 N17S9-S13 WeakPolarHBondContact O-CB 3.33Å; S9-S13 PolarHBondContact O-N 3.01Å; S9-S13 PolarHBondContact O-OG 3.28Å; N10-S13 PolarHBondContact O-N 3.37Å; N10-S13 PolarHBondContact O-OG 2.81Å; I11-S13 PolarHBondContact O-N 3.2Å; S13-N17 WeakPolarHBondContact O-CB 3.28Å; S13-N17 PolarHBondContact O-N 2.91Å; S13-N17 PolarHBondContact O-ND2 3.41Å
14L41.9Very low40.6Very low124 Ų12485.5 Ų85.565%0.64947%0.465SS*.Hα-helixtrans-65.9-40.7172.7-106.5160.7000111.2N10 I11 K12 A18N10-L14 WeakPolarHBondContact O-CB 3.17Å; N10-L14 PolarHBondContact O-N 3.35Å; I11-L14 WeakPolarHBondContact O-CB 3.13Å; I11-L14 PolarHBondContact O-N 2.76Å; K12-L14 VanDerWaalsContact C-N 3.28Å; K12-L14 PolarHBondContact O-N 3.03Å; L14-A18 WeakPolarHBondContact O-CB 3.44Å; L14-A18 PolarHBondContact O-N 3.06Å
15F41.8Very low40.9Very low83 Ų8386.1 Ų86.136%0.36447%0.466SS..Hα-helixtrans-70.8-47.7177.1-165.8-96.9000112.3I11 K12 N17 A18 V19 L88I11-F15 PolarHBondContact O-N 2.96Å; K12-F15 PolarHBondContact O-N 2.66Å; K12-F15 VanDerWaalsContact O-N 3.13Å; F15-N17 PolarHBondContact O-N 2.97Å; F15-A18 PolarHBondContact O-N 2.73Å; F15-V19 HydrophobicContact CD1-CG2 4.2Å; F15-V19 HydrophobicContact CE1-CG2 3.87Å; F15-V19 HydrophobicContact CZ-CG2 4.11Å; F15-V19 WeakPolarHBondContact O-CG2 3.49Å; F15-V19 PolarHBondContact O-N 3.44Å; F15-L88 HydrophobicContact CE2-CD1 3.95Å; F15-L88 HydrophobicContact CE2-CD2 3.73Å; F15-L88 HydrophobicContact CZ-CD1 3.93Å; F15-L88 HydrophobicContact CZ-CD2 4.49Å
16D48.3Very low41.1Very low77 Ų7781.6 Ų81.641%0.41244%0.443SS..Hα-helixtrans-57.2-48.1175.5-66.2-22000109.7K12 V19 E20K12-D16 WeakPolarHBondContact CE-OD2 3.07Å; K12-D16 VanDerWaalsContact CG-OD2 3.28Å; K12-D16 WeakPolarHBondContact CG-OD2 3.41Å; K12-D16 WeakPolarHBondContact O-CB 3.16Å; K12-D16 VanDerWaalsContact O-CG 3.27Å; K12-D16 PolarHBondContact O-N 2.87Å; D16-V19 PolarHBondContact O-N 3.43Å; D16-E20 VanDerWaalsContact O-CB 3.22Å; D16-E20 WeakPolarHBondContact O-CB 3.3Å; D16-E20 PolarHBondContact O-N 2.74Å
17N45.8Very low41.1Very low77 Ų7784.9 Ų84.941%0.41246%0.455SS..Hα-helixtrans-61.4-45.5173.9-76-45.8000112.7S13 F15 V19 E20 N21S13-N17 WeakPolarHBondContact O-CB 3.28Å; S13-N17 PolarHBondContact O-N 2.91Å; S13-N17 PolarHBondContact O-ND2 3.41Å; F15-N17 PolarHBondContact O-N 2.97Å; N17-V19 VanDerWaalsContact C-N 3.27Å; N17-V19 PolarHBondContact O-N 2.97Å; N17-E20 PolarHBondContact O-N 3.49Å; N17-N21 WeakPolarHBondContact O-CB 3.27Å; N17-N21 PolarHBondContact O-N 3.05Å; N17-N21 PolarHBondContact O-ND2 3.16Å
18A43.8Very low41.2Very low23 Ų2383.9 Ų83.919%0.1945%0.451CS..Hα-helixtrans-64.7-33-177.700000112.6L14 F15 G22 E23 I24L14-A18 WeakPolarHBondContact O-CB 3.44Å; L14-A18 PolarHBondContact O-N 3.06Å; F15-A18 PolarHBondContact O-N 2.73Å; A18-G22 PolarHBondContact O-N 3.32Å; A18-E23 PolarHBondContact O-N 3.32Å; A18-E23 VanDerWaalsContact O-N 3.07Å; A18-I24 HydrophobicContact CB-CG1 4.32Å
19V46.1Very low41.2Very low40 Ų4080.8 Ų80.824%0.24244%0.437CS..Hα-helixtrans-77.3-35.9174.5173.80000112F15 D16 N17 I24 C60F15-V19 HydrophobicContact CD1-CG2 4.2Å; F15-V19 HydrophobicContact CE1-CG2 3.87Å; F15-V19 HydrophobicContact CZ-CG2 4.11Å; F15-V19 WeakPolarHBondContact O-CG2 3.49Å; F15-V19 PolarHBondContact O-N 3.44Å; D16-V19 PolarHBondContact O-N 3.43Å; N17-V19 VanDerWaalsContact C-N 3.27Å; N17-V19 PolarHBondContact O-N 2.97Å; V19-I24 HydrophobicContact CG2-CD1 4.29Å; V19-C60 HydrophobicContact CG1-CB 4.3Å
20E48.4Very low41Very low162 Ų16279.9 Ų79.976%0.75743%0.429SS*.Hα-helixtrans-79-36.3-179.4-170.5162.3-14300112.9D16 N17D16-E20 VanDerWaalsContact O-CB 3.22Å; D16-E20 WeakPolarHBondContact O-CB 3.3Å; D16-E20 PolarHBondContact O-N 2.74Å; N17-E20 PolarHBondContact O-N 3.49Å
21N47.2Very low40.8Very low95 Ų9579.5 Ų79.551%0.50843%0.43SS..THydrogen-bonded Turntrans-82.7-16.1176.8-63.1-21.9000113.5N17 E23N17-N21 WeakPolarHBondContact O-CB 3.27Å; N17-N21 PolarHBondContact O-N 3.05Å; N17-N21 PolarHBondContact O-ND2 3.16Å; N21-E23 VanDerWaalsContact C-N 3.3Å; N21-E23 HydrophobicContact CB-CB 4.34Å; N21-E23 HydrophobicContact CB-CG 3.67Å; N21-E23 WeakPolarHBondContact CB-OE2 3.3Å; N21-E23 PolarHBondContact ND2-OE2 3.06Å
22G41.1Very low40.9Very low50 Ų5083.3 Ų83.352%0.51544%0.439SS..THydrogen-bonded Turntrans70.223.2-170.700000113.9A18 I24A18-G22 PolarHBondContact O-N 3.32Å; G22-I24 PolarHBondContact O-N 3.16Å
23E44.8Very low40.5Very low122 Ų12281.6 Ų81.657%0.5743%0.434SS*.  trans-76.81.7-175.3-76.2173.9135.700114A18 N21 T25A18-E23 PolarHBondContact O-N 3.32Å; A18-E23 VanDerWaalsContact O-N 3.07Å; N21-E23 VanDerWaalsContact C-N 3.3Å; N21-E23 HydrophobicContact CB-CB 4.34Å; N21-E23 HydrophobicContact CB-CG 3.67Å; N21-E23 WeakPolarHBondContact CB-OE2 3.3Å; N21-E23 PolarHBondContact ND2-OE2 3.06Å; E23-T25 PolarHBondContact O-N 2.88Å
24I43.2Very low40.2Very low65 Ų6583.6 Ų83.633%0.33345%0.449SS..SBendtrans-69.978164-53.9-179.8000108.4A18 V19 G22 F29A18-I24 HydrophobicContact CB-CG1 4.32Å; V19-I24 HydrophobicContact CG2-CD1 4.29Å; G22-I24 PolarHBondContact O-N 3.16Å; I24-F29 HydrophobicContact CG2-CD2 4.01Å; I24-F29 HydrophobicContact CG2-CE2 3.62Å
25T38.3Very low40.1Very low93 Ų9384.2 Ų84.257%0.57145%0.448SS*.  trans-74.6136.9-168.845.30000113.3E23 L27 E28E23-T25 PolarHBondContact O-N 2.88Å; T25-L27 PolarHBondContact O-N 3.07Å; T25-E28 PolarHBondContact O-N 3.47Å
26V37.3Very low40Very low36 Ų3684 Ų8422%0.21845%0.45CS..THydrogen-bonded Turntrans-58-23.2-166179.60000115E28 T30 D53 M56V26-E28 PolarHBondContact O-N 3.32Å; V26-T30 HydrophobicContact CG1-CG2 4.11Å; V26-T30 WeakPolarHBondContact O-CG2 3.17Å; V26-T30 PolarHBondContact O-N 3.25Å; V26-T30 PolarHBondContact O-OG1 2.7Å; V26-D53 VanDerWaalsContact CG1-OD1 3.29Å; V26-D53 WeakPolarHBondContact CG1-OD1 3.45Å; V26-M56 HydrophobicContact CG2-CB 4.5Å
27L29.9Very low39.3Very low138 Ų13885.8 Ų85.872%0.72347%0.468SS*.Hα-helixtrans-69.8-30.9-175.7-8674.1000114.1T25 T30 T31T25-L27 PolarHBondContact O-N 3.07Å; L27-T30 PolarHBondContact O-OG1 3.12Å; L27-T31 WeakPolarHBondContact O-CG2 3.11Å; L27-T31 PolarHBondContact O-OG1 2.66Å
28E37.3Very low39Very low100 Ų10086 Ų8647%0.46747%0.468SS..Hα-helixtrans-85.4-20.4-174.1-126-167.7175.200113.6T25 V26 T31 R91T25-E28 PolarHBondContact O-N 3.47Å; V26-E28 PolarHBondContact O-N 3.32Å; E28-T31 PolarHBondContact O-OG1 2.74Å; E28-R91 VanDerWaalsContact CD-NH2 3.32Å; E28-R91 IonicContact OE1-NH2 3.88Å; E28-R91 IonicContact OE2-CZ 3.72Å; E28-R91 IonicContact OE2-NH1 2.96Å; E28-R91 PolarHBondContact OE2-NH1 2.96Å; E28-R91 IonicContact OE2-NH2 2.74Å; E28-R91 PolarHBondContact OE2-NH2 3.49Å
29F32.4Very low38.9Very low41 Ų4189 Ų8918%0.1850%0.502CS..Hα-helixtrans-85.9-43.2175.1-96.1-83.7000112.2I24 T31 R32 L33 M56 V87I24-F29 HydrophobicContact CG2-CD2 4.01Å; I24-F29 HydrophobicContact CG2-CE2 3.62Å; F29-T31 VanDerWaalsContact C-N 3.35Å; F29-T31 PolarHBondContact O-N 3.19Å; F29-R32 PolarHBondContact O-N 2.79Å; F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.4Å; F29-L33 VanDerWaalsContact O-CG 3.26Å; F29-L33 WeakPolarHBondContact O-CG 3.23Å; F29-L33 PolarHBondContact O-N 2.96Å; F29-M56 HydrophobicContact CB-CE 3.65Å; F29-M56 HydrophobicContact CB-SD 3.61Å; F29-M56 HydrophobicContact CD1-CE 3.4Å; F29-M56 VanDerWaalsContact CD1-CE 3.4Å; F29-M56 HydrophobicContact CD1-SD 4.44Å; F29-M56 HydrophobicContact CD2-CE 4.12Å; F29-M56 HydrophobicContact CD2-SD 4.31Å; F29-M56 HydrophobicContact CE1-CE 4.01Å; F29-M56 HydrophobicContact CG-CE 3.45Å; F29-M56 VanDerWaalsContact CG-CE 3.45Å; F29-M56 HydrophobicContact CG-SD 3.89Å; F29-V87 HydrophobicContact CE1-CG1 3.97Å; F29-V87 HydrophobicContact CZ-CG1 3.94Å
30T33.6Very low38.8Very low48 Ų4889.5 Ų89.529%0.29450%0.503SS..Hα-helixtrans-61.1-42.3179.943.70000112.2V26 L27 S34V26-T30 HydrophobicContact CG1-CG2 4.11Å; V26-T30 WeakPolarHBondContact O-CG2 3.17Å; V26-T30 PolarHBondContact O-N 3.25Å; V26-T30 PolarHBondContact O-OG1 2.7Å; L27-T30 PolarHBondContact O-OG1 3.12Å; T30-S34 PolarHBondContact O-N 2.74Å; T30-S34 PolarHBondContact O-OG 3.44Å
31T34.2Very low39.2Very low77 Ų7783.8 Ų83.847%0.47248%0.481SS..Hα-helixtrans-64.4-44.8178.143.40000113.5L27 E28 F29 S34L27-T31 WeakPolarHBondContact O-CG2 3.11Å; L27-T31 PolarHBondContact O-OG1 2.66Å; E28-T31 PolarHBondContact O-OG1 2.74Å; F29-T31 VanDerWaalsContact C-N 3.35Å; F29-T31 PolarHBondContact O-N 3.19Å; T31-S34 PolarHBondContact O-N 3.34Å; T31-S34 PolarHBondContact O-OG 3.16Å
32R36.9Very low39.7Very low153 Ų15383.9 Ų83.958%0.57749%0.487SS*.Hα-helixtrans-77.3-28.9177.5-69.2-166171.3-163.3-2.1113.7F29 S34 E35 I36F29-R32 PolarHBondContact O-N 2.79Å; R32-S34 VanDerWaalsContact C-N 3.25Å; R32-S34 PolarHBondContact O-N 2.73Å; R32-E35 PolarHBondContact O-N 2.83Å; R32-E35 VanDerWaalsContact O-N 3.08Å; R32-I36 PolarHBondContact O-N 3.14Å
33L36.1Very low41Very low57 Ų5788.8 Ų88.830%0.29850%0.496SS..Hα-helixtrans-65.7-27172.7-77.4171.1000112.8F29 E35 I36 V52F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.4Å; F29-L33 VanDerWaalsContact O-CG 3.26Å; F29-L33 WeakPolarHBondContact O-CG 3.23Å; F29-L33 PolarHBondContact O-N 2.96Å; L33-E35 VanDerWaalsContact C-N 3.32Å; L33-I36 HydrophobicContact CD2-CD1 4.24Å; L33-V52 HydrophobicContact CD1-CG1 4Å; L33-V52 HydrophobicContact CD1-CG2 4.15Å
34S35.9Very low41.3Very low95 Ų9587.8 Ų87.866%0.66449%0.492SS*.THydrogen-bonded Turntrans-72.6-20.3170.236.70000114.7T30 T31 R32T30-S34 PolarHBondContact O-N 2.74Å; T30-S34 PolarHBondContact O-OG 3.44Å; T31-S34 PolarHBondContact O-N 3.34Å; T31-S34 PolarHBondContact O-OG 3.16Å; R32-S34 VanDerWaalsContact C-N 3.25Å; R32-S34 PolarHBondContact O-N 2.73Å
35E40.9Very low41.6Very low136 Ų13689.6 Ų89.664%0.63650%0.497SS*.THydrogen-bonded Turntrans-84.8-27.1178.3-64.1171.2155.200111.9R32 L33 S37R32-E35 PolarHBondContact O-N 2.83Å; R32-E35 VanDerWaalsContact O-N 3.08Å; L33-E35 VanDerWaalsContact C-N 3.32Å; E35-S37 PolarHBondContact O-N 2.7Å; E35-S37 PolarHBondContact O-OG 3.31Å
36I37.9Very low42.7Very low78 Ų7892.4 Ų92.440%0.450%0.502SS..SBendtrans-66.2102.7170.5-54.6-176.1000108.7R32 L33 I38R32-I36 PolarHBondContact O-N 3.14Å; L33-I36 HydrophobicContact CD2-CD1 4.24Å; I36-I38 HydrophobicContact CG2-CD1 4.28Å; I36-I38 HydrophobicContact CG2-CG1 3.76Å; I36-I38 PolarHBondContact O-N 3.08Å
37S34.4Very low43.6Very low115 Ų11593.7 Ų93.780%0.80451%0.512SS*.  trans-77.261.6-172.4-69.60000113.3E35E35-S37 PolarHBondContact O-N 2.7Å; E35-S37 PolarHBondContact O-OG 3.31Å
38I40.4Very low44.3Very low81 Ų8190.7 Ų90.742%0.41550%0.496SS..  trans-71.4135.9170.8-37179.5000109I36 L40 K45I36-I38 HydrophobicContact CG2-CD1 4.28Å; I36-I38 HydrophobicContact CG2-CG1 3.76Å; I36-I38 PolarHBondContact O-N 3.08Å; I38-L40 HydrophobicContact CB-CD1 4.14Å; I38-L40 HydrophobicContact CB-CG 4.01Å; I38-L40 HydrophobicContact CD1-CD1 4.25Å; I38-L40 HydrophobicContact CG2-CD1 4.14Å; I38-L40 HydrophobicContact CG2-CD2 4.36Å; I38-L40 HydrophobicContact CG2-CG 3.72Å; I38-L40 PolarHBondContact O-N 3.49Å; I38-K45 WeakPolarHBondContact O-CE 3.37Å; I38-K45 PolarHBondContact O-NZ 3.27Å
39G40.1Very low44.8Very low87 Ų8788 Ų8890%0.89749%0.492SS*.  trans-70.530.4177.700000115.5
40L45.3Very low45.8Very low51 Ų5193.1 Ų93.127%0.26752%0.516SS..  trans-71.1143.8178-66.2173.3000111.6I38 E44 K45 L48I38-L40 HydrophobicContact CB-CD1 4.14Å; I38-L40 HydrophobicContact CB-CG 4.01Å; I38-L40 HydrophobicContact CD1-CD1 4.25Å; I38-L40 HydrophobicContact CG2-CD1 4.14Å; I38-L40 HydrophobicContact CG2-CD2 4.36Å; I38-L40 HydrophobicContact CG2-CG 3.72Å; I38-L40 PolarHBondContact O-N 3.49Å; L40-E44 WeakPolarHBondContact CA-OE2 3.4Å; L40-E44 HydrophobicContact CB-CB 3.95Å; L40-E44 HydrophobicContact CD2-CB 4.13Å; L40-E44 HydrophobicContact CG-CB 4.46Å; L40-K45 HydrophobicContact CB-CD 4.47Å; L40-K45 HydrophobicContact CB-CG 3.73Å; L40-K45 HydrophobicContact CD1-CG 4.49Å; L40-K45 VanDerWaalsContact O-CE 3.27Å; L40-K45 WeakPolarHBondContact O-CE 3.35Å; L40-L48 HydrophobicContact CD1-CD2 3.87Å
41S55.6Low46.5Very low41 Ų4197.7 Ų97.729%0.28753%0.528SS..  trans-53.1148.9167.7170.20000111.3E43 E44 K45S41-E43 PolarHBondContact O-N 3.23Å; S41-E43 PolarHBondContact OG-N 2.7Å; S41-E44 WeakPolarHBondContact CB-OE2 3.3Å; S41-E44 PolarHBondContact N-OE2 3.26Å; S41-E44 PolarHBondContact O-N 3.38Å; S41-K45 WeakPolarHBondContact O-CG 3.44Å; S41-K45 PolarHBondContact O-N 3.19Å
42P59.2Low47Very low98 Ų9895 Ų9564%0.63651%0.511SS*.Hα-helixtrans-53.1-26.3169.7-26.635.7000114.1K46P42-K46 VanDerWaalsContact O-CG 3.3Å; P42-K46 WeakPolarHBondContact O-CG 3.06Å; P42-K46 PolarHBondContact O-N 3Å
43E66.4Low47.5Very low153 Ų15390.5 Ų90.572%0.71550%0.498SS*.Hα-helixtrans-76.4-42.2175.9-62.2172.614500111.5S41 K46 S47S41-E43 PolarHBondContact O-N 3.23Å; S41-E43 PolarHBondContact OG-N 2.7Å; E43-K46 PolarHBondContact O-N 2.76Å; E43-S47 WeakPolarHBondContact O-CB 3.34Å; E43-S47 PolarHBondContact O-N 3.31Å
44E51.3Low48.3Very low100 Ų10090.7 Ų90.747%0.46751%0.505SS..Hα-helixtrans-66.6-39.4174.2-68172.7133.100111.4L40 S41 K46 S47 L48L40-E44 WeakPolarHBondContact CA-OE2 3.4Å; L40-E44 HydrophobicContact CB-CB 3.95Å; L40-E44 HydrophobicContact CD2-CB 4.13Å; L40-E44 HydrophobicContact CG-CB 4.46Å; S41-E44 WeakPolarHBondContact CB-OE2 3.3Å; S41-E44 PolarHBondContact N-OE2 3.26Å; S41-E44 PolarHBondContact O-N 3.38Å; E44-K46 VanDerWaalsContact C-N 3.34Å; E44-K46 PolarHBondContact O-N 2.96Å; E44-S47 PolarHBondContact O-N 2.81Å; E44-L48 VanDerWaalsContact O-CB 3.27Å; E44-L48 WeakPolarHBondContact O-CB 3.42Å; E44-L48 PolarHBondContact O-N 3.19Å
45K49.8Very low48.7Very low103 Ų10387.6 Ų87.645%0.44848%0.48SS..Hα-helixtrans-62-40173.6-69.3-173.3177.1-174.40111.7I38 L40 S41 A49I38-K45 WeakPolarHBondContact O-CE 3.37Å; I38-K45 PolarHBondContact O-NZ 3.27Å; L40-K45 HydrophobicContact CB-CD 4.47Å; L40-K45 HydrophobicContact CB-CG 3.73Å; L40-K45 HydrophobicContact CD1-CG 4.49Å; L40-K45 VanDerWaalsContact O-CE 3.27Å; L40-K45 WeakPolarHBondContact O-CE 3.35Å; S41-K45 WeakPolarHBondContact O-CG 3.44Å; S41-K45 PolarHBondContact O-N 3.19Å; K45-A49 VanDerWaalsContact O-CB 3.31Å; K45-A49 WeakPolarHBondContact O-CB 3.47Å; K45-A49 PolarHBondContact O-N 2.87Å
46K61.1Low48.8Very low153 Ų15383.7 Ų83.767%0.66546%0.462SS*.Hα-helixtrans-66-43.6172.2-76.9173.7-179.4-179.80112.4P42 E43 E44 A49 Q50P42-K46 VanDerWaalsContact O-CG 3.3Å; P42-K46 WeakPolarHBondContact O-CG 3.06Å; P42-K46 PolarHBondContact O-N 3Å; E43-K46 PolarHBondContact O-N 2.76Å; E44-K46 VanDerWaalsContact C-N 3.34Å; E44-K46 PolarHBondContact O-N 2.96Å; K46-A49 PolarHBondContact O-N 3.09Å; K46-Q50 VanDerWaalsContact O-CB 3.3Å; K46-Q50 WeakPolarHBondContact O-CB 3.26Å; K46-Q50 PolarHBondContact O-N 3.31Å
47S56.8Low49.2Very low63 Ų6387 Ų8744%0.44147%0.474SS..Hα-helixtrans-64.6-40.9178-171.10000112E43 E44 Q50 R51E43-S47 WeakPolarHBondContact O-CB 3.34Å; E43-S47 PolarHBondContact O-N 3.31Å; E44-S47 PolarHBondContact O-N 2.81Å; S47-Q50 PolarHBondContact O-N 3.01Å; S47-R51 VanDerWaalsContact O-CB 3.31Å; S47-R51 WeakPolarHBondContact O-CB 3.3Å; S47-R51 PolarHBondContact O-N 3.29Å
48L44.1Very low49.7Very low74 Ų7483.3 Ų83.339%0.38744%0.444SS..Hα-helixtrans-64.8-48.7175.1-177.361.8000111.1L40 E44 Q50 R51 V52L40-L48 HydrophobicContact CD1-CD2 3.87Å; E44-L48 VanDerWaalsContact O-CB 3.27Å; E44-L48 WeakPolarHBondContact O-CB 3.42Å; E44-L48 PolarHBondContact O-N 3.19Å; L48-Q50 PolarHBondContact O-N 2.83Å; L48-R51 PolarHBondContact O-N 2.8Å; L48-V52 HydrophobicContact CD1-CG2 4.25Å; L48-V52 HydrophobicContact CG-CG2 4.46Å; L48-V52 WeakPolarHBondContact O-CB 3.42Å; L48-V52 VanDerWaalsContact O-CG2 3.24Å; L48-V52 WeakPolarHBondContact O-CG2 3.19Å; L48-V52 PolarHBondContact O-N 3.05Å
49A48.4Very low50.2Low45 Ų4582.1 Ų82.137%0.37244%0.442SS..Hα-helixtrans-58.3-46.7175.500000111.8K45 K46 R51 V52 D53K45-A49 VanDerWaalsContact O-CB 3.31Å; K45-A49 WeakPolarHBondContact O-CB 3.47Å; K45-A49 PolarHBondContact O-N 2.87Å; K46-A49 PolarHBondContact O-N 3.09Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 3.42Å; A49-V52 PolarHBondContact O-N 2.83Å; A49-D53 WeakPolarHBondContact O-CB 3.14Å; A49-D53 PolarHBondContact O-N 2.87Å
50Q54.1Low50.4Low148 Ų14880.4 Ų80.469%0.69242%0.415SS*.Hα-helixtrans-63.3-38.2177.2-172.9179.211.200112.5K46 S47 L48 S54K46-Q50 VanDerWaalsContact O-CB 3.3Å; K46-Q50 WeakPolarHBondContact O-CB 3.26Å; K46-Q50 PolarHBondContact O-N 3.31Å; S47-Q50 PolarHBondContact O-N 3.01Å; L48-Q50 PolarHBondContact O-N 2.83Å; Q50-S54 WeakPolarHBondContact O-CB 3.44Å; Q50-S54 PolarHBondContact O-N 3.32Å; Q50-S54 VanDerWaalsContact O-N 3.12Å; Q50-S54 PolarHBondContact O-OG 3.24Å
51R47.4Very low50.6Low143 Ų14384.7 Ų84.754%0.5443%0.432SS..Hα-helixtrans-66.7-48.2175.2-176171.4-72.3172.5-3110.8S47 L48 A49 D53 S54 E55S47-R51 VanDerWaalsContact O-CB 3.31Å; S47-R51 WeakPolarHBondContact O-CB 3.3Å; S47-R51 PolarHBondContact O-N 3.29Å; L48-R51 PolarHBondContact O-N 2.8Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 3.42Å; R51-D53 PolarHBondContact O-N 3.45Å; R51-S54 CarbonylContact O-C 3.54Å; R51-S54 WeakPolarHBondContact O-CA 3.5Å; R51-S54 PolarHBondContact O-N 2.95Å; R51-S54 PolarHBondContact O-OG 3.23Å; R51-E55 WeakPolarHBondContact CD-OE1 3.24Å; R51-E55 HydrophobicContact CG-CG 4.32Å; R51-E55 WeakPolarHBondContact CG-OE1 3.36Å; R51-E55 WeakPolarHBondContact O-CB 3.41Å; R51-E55 WeakPolarHBondContact O-CG 3.45Å; R51-E55 PolarHBondContact O-N 3.46Å
52V45.5Very low50.5Low20 Ų2086.8 Ų86.812%0.12144%0.437CS..Hα-helixtrans-56.1-48.5174.8168.20000111.3L33 L48 A49 S54 E55 M56L33-V52 HydrophobicContact CD1-CG1 4Å; L33-V52 HydrophobicContact CD1-CG2 4.15Å; L48-V52 HydrophobicContact CD1-CG2 4.25Å; L48-V52 HydrophobicContact CG-CG2 4.46Å; L48-V52 WeakPolarHBondContact O-CB 3.42Å; L48-V52 VanDerWaalsContact O-CG2 3.24Å; L48-V52 WeakPolarHBondContact O-CG2 3.19Å; L48-V52 PolarHBondContact O-N 3.05Å; A49-V52 PolarHBondContact O-N 2.83Å; V52-S54 PolarHBondContact O-N 2.89Å; V52-E55 PolarHBondContact O-N 3.2Å; V52-M56 HydrophobicContact CG1-CE 3.74Å; V52-M56 HydrophobicContact CG1-CG 4.09Å; V52-M56 HydrophobicContact CG1-SD 3.53Å; V52-M56 VanDerWaalsContact CG1-SD 3.53Å; V52-M56 WeakPolarHBondContact O-CB 3.17Å; V52-M56 WeakPolarHBondContact O-CG 3.31Å; V52-M56 PolarHBondContact O-N 3.2Å
53D47.7Very low50.1Low59 Ų5983.4 Ų83.432%0.31641%0.413SS..Hα-helixtrans-63.5-20.8175.7-83.9-21.5000114.3V26 A49 R51 K57V26-D53 VanDerWaalsContact CG1-OD1 3.29Å; V26-D53 WeakPolarHBondContact CG1-OD1 3.45Å; A49-D53 WeakPolarHBondContact O-CB 3.14Å; A49-D53 PolarHBondContact O-N 2.87Å; R51-D53 PolarHBondContact O-N 3.45Å; D53-K57 VanDerWaalsContact O-CD 3.27Å; D53-K57 WeakPolarHBondContact O-CD 3.31Å; D53-K57 WeakPolarHBondContact O-CE 3.1Å; D53-K57 WeakPolarHBondContact O-CG 3.3Å; D53-K57 PolarHBondContact O-NZ 3.5Å
54S52.8Low49.4Very low61 Ų6178.5 Ų78.543%0.42739%0.392SS..Hα-helixtrans-93.2-27.5177.878.70000113Q50 R51 V52Q50-S54 WeakPolarHBondContact O-CB 3.44Å; Q50-S54 PolarHBondContact O-N 3.32Å; Q50-S54 VanDerWaalsContact O-N 3.12Å; Q50-S54 PolarHBondContact O-OG 3.24Å; R51-S54 CarbonylContact O-C 3.54Å; R51-S54 WeakPolarHBondContact O-CA 3.5Å; R51-S54 PolarHBondContact O-N 2.95Å; R51-S54 PolarHBondContact O-OG 3.23Å; V52-S54 PolarHBondContact O-N 2.89Å
55E43.6Very low49.5Very low30 Ų3078.8 Ų78.814%0.1439%0.393CS..Hα-helixtrans-94.4-36.2-179-70.1-177.4-154.300112R51 V52 K57 M58 I63 H67R51-E55 WeakPolarHBondContact CD-OE1 3.24Å; R51-E55 HydrophobicContact CG-CG 4.32Å; R51-E55 WeakPolarHBondContact CG-OE1 3.36Å; R51-E55 WeakPolarHBondContact O-CB 3.41Å; R51-E55 WeakPolarHBondContact O-CG 3.45Å; R51-E55 PolarHBondContact O-N 3.46Å; V52-E55 PolarHBondContact O-N 3.2Å; E55-K57 PolarHBondContact O-N 2.99Å; E55-M58 WeakPolarHBondContact O-CA 3.44Å; E55-M58 WeakPolarHBondContact O-CB 3.41Å; E55-M58 WeakPolarHBondContact O-CG 3.39Å; E55-M58 PolarHBondContact O-N 3.33Å; E55-I63 VanDerWaalsContact O-CD1 3.31Å; E55-I63 WeakPolarHBondContact O-CD1 3.26Å; E55-I63 WeakPolarHBondContact O-CG1 3.39Å; E55-H67 IonicContact OE1-CE1 3.35Å; E55-H67 IonicContact OE1-NE2 3.5Å; E55-H67 IonicContact OE2-CD2 3.19Å; E55-H67 IonicContact OE2-CE1 2.71Å; E55-H67 IonicContact OE2-NE2 2.74Å; E55-H67 PolarHBondContact OE2-NE2 3.34Å
56M42.8Very low49.7Very low54 Ų5479.9 Ų79.927%0.26640%0.395SS..THydrogen-bonded Turntrans-69.5-11.6175-70.7-173.4173.400114.3V26 F29 V52 M58V26-M56 HydrophobicContact CG2-CB 4.5Å; F29-M56 HydrophobicContact CB-CE 3.65Å; F29-M56 HydrophobicContact CB-SD 3.61Å; F29-M56 HydrophobicContact CD1-CE 3.4Å; F29-M56 VanDerWaalsContact CD1-CE 3.4Å; F29-M56 HydrophobicContact CD1-SD 4.44Å; F29-M56 HydrophobicContact CD2-CE 4.12Å; F29-M56 HydrophobicContact CD2-SD 4.31Å; F29-M56 HydrophobicContact CE1-CE 4.01Å; F29-M56 HydrophobicContact CG-CE 3.45Å; F29-M56 VanDerWaalsContact CG-CE 3.45Å; F29-M56 HydrophobicContact CG-SD 3.89Å; V52-M56 HydrophobicContact CG1-CE 3.74Å; V52-M56 HydrophobicContact CG1-CG 4.09Å; V52-M56 HydrophobicContact CG1-SD 3.53Å; V52-M56 VanDerWaalsContact CG1-SD 3.53Å; V52-M56 WeakPolarHBondContact O-CB 3.17Å; V52-M56 WeakPolarHBondContact O-CG 3.31Å; V52-M56 PolarHBondContact O-N 3.2Å; M56-M58 VanDerWaalsContact C-N 3.27Å
57K47.4Very low49.3Very low148 Ų14874.5 Ų74.564%0.64337%0.372SS*.THydrogen-bonded Turntrans-81.8-7.1167.5-70175.8-173128.80113D53 E55D53-K57 VanDerWaalsContact O-CD 3.27Å; D53-K57 WeakPolarHBondContact O-CD 3.31Å; D53-K57 WeakPolarHBondContact O-CE 3.1Å; D53-K57 WeakPolarHBondContact O-CG 3.3Å; D53-K57 PolarHBondContact O-NZ 3.5Å; E55-K57 PolarHBondContact O-N 2.99Å
58M43.8Very low49Very low38 Ų3875.9 Ų75.919%0.18738%0.381CS..SBendtrans-94.6135.4172.5-48.6-69.3-62.400108E55 M56 Q62 I63 R66E55-M58 WeakPolarHBondContact O-CA 3.44Å; E55-M58 WeakPolarHBondContact O-CB 3.41Å; E55-M58 WeakPolarHBondContact O-CG 3.39Å; E55-M58 PolarHBondContact O-N 3.33Å; M56-M58 VanDerWaalsContact C-N 3.27Å; M58-Q62 HydrophobicContact CB-CB 4.17Å; M58-Q62 HydrophobicContact CE-CB 3.82Å; M58-I63 HydrophobicContact CB-CG1 3.9Å; M58-R66 VanDerWaalsContact CE-CZ 3.48Å; M58-R66 VanDerWaalsContact CE-NH2 3.33Å
59P52Low49.3Very low56 Ų5676.3 Ų76.336%0.36439%0.391SS..  trans-59.6148.4170.926.2-34.3000109.8K61 Q62 I63P59-K61 PolarHBondContact O-N 3.33Å; P59-Q62 HydrophobicContact CG-CB 4.18Å; P59-Q62 HydrophobicContact CG-CG 3.91Å; P59-Q62 WeakPolarHBondContact O-CA 3.38Å; P59-Q62 PolarHBondContact O-N 3Å; P59-I63 PolarHBondContact O-N 2.82Å
60C43.7Very low49.2Very low51 Ų5178.6 Ų78.635%0.34540%0.396SS..Hα-helixtrans-52-32.9-172.2-59.80000113.7V19 Q62 I63 L64V19-C60 HydrophobicContact CG1-CB 4.3Å; C60-Q62 PolarHBondContact O-N 3.48Å; C60-I63 PolarHBondContact O-N 3.3Å; C60-L64 WeakPolarHBondContact O-CG 3.29Å; C60-L64 PolarHBondContact O-N 2.84Å
61K49.1Very low49.1Very low140 Ų14078.9 Ų78.961%0.60940%0.403SS*.Hα-helixtrans-57.3-43.9172178.1173.9172.2177.20113.3P59 L64 E65P59-K61 PolarHBondContact O-N 3.33Å; K61-L64 PolarHBondContact O-N 3.03Å; K61-E65 WeakPolarHBondContact CE-OE1 3.33Å; K61-E65 HydrophobicContact CG-CG 4.44Å; K61-E65 IonicContact NZ-OE1 3.12Å; K61-E65 WeakPolarHBondContact O-CB 3.47Å; K61-E65 VanDerWaalsContact O-CG 3.29Å; K61-E65 WeakPolarHBondContact O-CG 3.43Å; K61-E65 PolarHBondContact O-N 3.44Å
62Q53.8Low49.3Very low85 Ų8575.5 Ų75.540%0.39741%0.412SS..Hα-helixtrans-76.6-25.1179.2-69.5177.47.400112.7M58 P59 C60 R66M58-Q62 HydrophobicContact CB-CB 4.17Å; M58-Q62 HydrophobicContact CE-CB 3.82Å; P59-Q62 HydrophobicContact CG-CB 4.18Å; P59-Q62 HydrophobicContact CG-CG 3.91Å; P59-Q62 WeakPolarHBondContact O-CA 3.38Å; P59-Q62 PolarHBondContact O-N 3Å; C60-Q62 PolarHBondContact O-N 3.48Å; Q62-R66 WeakPolarHBondContact O-CB 3.4Å; Q62-R66 WeakPolarHBondContact O-CG 3.47Å; Q62-R66 PolarHBondContact O-N 2.78Å
63I51.3Low49.7Very low27 Ų2777.1 Ų77.114%0.13842%0.42CS..Hα-helixtrans-65-49.3167.8-56.6177.5000109.3E55 M58 P59 C60 R66 H67E55-I63 VanDerWaalsContact O-CD1 3.31Å; E55-I63 WeakPolarHBondContact O-CD1 3.26Å; E55-I63 WeakPolarHBondContact O-CG1 3.39Å; M58-I63 HydrophobicContact CB-CG1 3.9Å; P59-I63 PolarHBondContact O-N 2.82Å; C60-I63 PolarHBondContact O-N 3.3Å; I63-R66 PolarHBondContact O-N 3.44Å; I63-H67 PolarHBondContact O-CD2 3.31Å; I63-H67 PolarHBondContact O-N 3.37Å
64L50.5Low50.1Low51 Ų5179.2 Ų79.227%0.26743%0.428SS..Hα-helixtrans-61.5-45.5176.3-72.8163.8000112C60 K61 R66 H67 S68 Q81C60-L64 WeakPolarHBondContact O-CG 3.29Å; C60-L64 PolarHBondContact O-N 2.84Å; K61-L64 PolarHBondContact O-N 3.03Å; L64-R66 PolarHBondContact O-N 2.92Å; L64-H67 PolarHBondContact O-N 3.46Å; L64-S68 WeakPolarHBondContact O-CB 3.37Å; L64-S68 PolarHBondContact O-N 3.35Å; L64-S68 PolarHBondContact O-OG 3.42Å; L64-Q81 HydrophobicContact CD2-CG 4.35Å
65E54.7Low50.1Low106 Ų10684 Ų8450%0.49544%0.437SS..Hα-helixtrans-64.1-36.4178.1-75.6170.3167.400112.6K61K61-E65 WeakPolarHBondContact CE-OE1 3.33Å; K61-E65 HydrophobicContact CG-CG 4.44Å; K61-E65 IonicContact NZ-OE1 3.12Å; K61-E65 WeakPolarHBondContact O-CB 3.47Å; K61-E65 VanDerWaalsContact O-CG 3.29Å; K61-E65 WeakPolarHBondContact O-CG 3.43Å; K61-E65 PolarHBondContact O-N 3.44Å
66R53.3Low50.7Low126 Ų12687.6 Ų87.648%0.47546%0.457SS..Hα-helixtrans-65.1-57172.9-81.6-176.8175.9174.24.3111.6M58 Q62 I63 L64 S68 S69M58-R66 VanDerWaalsContact CE-CZ 3.48Å; M58-R66 VanDerWaalsContact CE-NH2 3.33Å; Q62-R66 WeakPolarHBondContact O-CB 3.4Å; Q62-R66 WeakPolarHBondContact O-CG 3.47Å; Q62-R66 PolarHBondContact O-N 2.78Å; I63-R66 PolarHBondContact O-N 3.44Å; L64-R66 PolarHBondContact O-N 2.92Å; R66-S68 PolarHBondContact O-N 3.28Å; R66-S69 WeakPolarHBondContact O-CB 3.25Å; R66-S69 PolarHBondContact O-N 2.87Å; R66-S69 PolarHBondContact O-OG 3.25Å
67H51.9Low51.4Low40 Ų4085.6 Ų85.619%0.18545%0.448CS..Hα-helixtrans-72.6-14.8-174.5-67.1-54.8000113.9E55 I63 L64 S69E55-H67 IonicContact OE1-CE1 3.35Å; E55-H67 IonicContact OE1-NE2 3.5Å; E55-H67 IonicContact OE2-CD2 3.19Å; E55-H67 IonicContact OE2-CE1 2.71Å; E55-H67 IonicContact OE2-NE2 2.74Å; E55-H67 PolarHBondContact OE2-NE2 3.34Å; I63-H67 PolarHBondContact O-CD2 3.31Å; I63-H67 PolarHBondContact O-N 3.37Å; L64-H67 PolarHBondContact O-N 3.46Å; H67-S69 PolarHBondContact O-N 2.87Å
68S51.9Low51.9Low91 Ų9181.4 Ų81.464%0.63643%0.428SS*.THydrogen-bonded Turntrans-76-5.2168.9-58.50000114.2L64 R66L64-S68 WeakPolarHBondContact O-CB 3.37Å; L64-S68 PolarHBondContact O-N 3.35Å; L64-S68 PolarHBondContact O-OG 3.42Å; R66-S68 PolarHBondContact O-N 3.28Å
69S48.9Very low52.7Low84 Ų8480.6 Ų80.659%0.58742%0.424SS*.SBendtrans-102.8-15.2-174.971.50000115.4R66 H67R66-S69 WeakPolarHBondContact O-CB 3.25Å; R66-S69 PolarHBondContact O-N 2.87Å; R66-S69 PolarHBondContact O-OG 3.25Å; H67-S69 PolarHBondContact O-N 2.87Å
70D46.7Very low53.1Low92 Ų9280.9 Ų80.949%0.49242%0.422SS..  trans-104.6100.4179.9-94.3-28.1000111.8G72 N73D70-G72 PolarHBondContact O-N 2.93Å; D70-N73 HydrophobicContact CB-CB 4.16Å; D70-N73 PolarHBondContact O-N 3.45Å; D70-N73 PolarHBondContact OD2-ND2 3.44Å
71N52.5Low54Low154 Ų15479.3 Ų79.382%0.82441%0.41SS*.THydrogen-bonded Turntrans-60.1-0.1177.2-66.3-3.7000115
72G52.2Low54.7Low72 Ų7272.6 Ų72.674%0.74238%0.381SS*.THydrogen-bonded Turntrans-100.1-14.817300000114.7D70D70-G72 PolarHBondContact O-N 2.93Å
73N53.4Low55.1Low54 Ų5471.1 Ų71.129%0.28937%0.374SS..  trans-1075.7-168.1-74.2-38.4000114.3D70 R75 L76 S77D70-N73 HydrophobicContact CB-CB 4.16Å; D70-N73 PolarHBondContact O-N 3.45Å; D70-N73 PolarHBondContact OD2-ND2 3.44Å; N73-R75 VanDerWaalsContact C-N 3.26Å; N73-R75 PolarHBondContact O-N 2.98Å; N73-R75 VanDerWaalsContact O-N 3.1Å; N73-L76 PolarHBondContact O-N 3.36Å; N73-S77 PolarHBondContact O-N 3.19Å
74E55.3Low55.6Low104 Ų10472.9 Ų72.949%0.48638%0.383SS..Hα-helixtrans-48.1-43.6-177.9-80.4-164.8-135.400113.8L76 S77 R78E74-L76 PolarHBondContact O-N 3.43Å; E74-S77 PolarHBondContact O-N 3.39Å; E74-R78 WeakPolarHBondContact O-CB 3.43Å; E74-R78 VanDerWaalsContact O-CG 3.27Å; E74-R78 WeakPolarHBondContact O-CG 3.2Å; E74-R78 PolarHBondContact O-N 2.86Å; E74-R78 IonicContact OE2-CZ 2.75Å; E74-R78 IonicContact OE2-NE 3.58Å; E74-R78 PolarHBondContact OE2-NE 3.17Å; E74-R78 IonicContact OE2-NH2 3.77Å; E74-R78 PolarHBondContact OE2-NH2 3.37Å
75R54Low56.3Low160 Ų16070.6 Ų70.660%0.60437%0.371SS*.Hα-helixtrans-63.9-41.2179.7-170.2180-176.6-165.72.4112.2N73 E79 E135N73-R75 VanDerWaalsContact C-N 3.26Å; N73-R75 PolarHBondContact O-N 2.98Å; N73-R75 VanDerWaalsContact O-N 3.1Å; R75-E79 WeakPolarHBondContact O-CB 3.38Å; R75-E79 PolarHBondContact O-N 3.46Å; R75-E135 IonicContact CZ-OE1 2.74Å; R75-E135 IonicContact CZ-OE2 3.89Å; R75-E135 IonicContact NH2-OE1 3.99Å; R75-E135 PolarHBondContact NH2-OE1 3.2Å; R75-E135 IonicContact NH2-OE2 3.75Å; R75-E135 PolarHBondContact NH2-OE2 2.9Å
76L55.2Low56.6Low106 Ų10665.7 Ų65.756%0.55535%0.348SS*.Hα-helixtrans-69.8-36.3176-74.7168.8000111.6N73 E74 L80N73-L76 PolarHBondContact O-N 3.36Å; E74-L76 PolarHBondContact O-N 3.43Å; L76-L80 VanDerWaalsContact O-CB 3.25Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 PolarHBondContact O-N 3.13Å
77S57Low56.9Low13 Ų1361.7 Ų61.79%0.09134%0.337CS..Hα-helixtrans-64-52.5175-168.60000111.3N73 E74 E79 L80 Q81N73-S77 PolarHBondContact O-N 3.19Å; E74-S77 PolarHBondContact O-N 3.39Å; S77-E79 VanDerWaalsContact C-N 3.34Å; S77-E79 PolarHBondContact O-N 3.31Å; S77-L80 PolarHBondContact O-N 2.86Å; S77-Q81 WeakPolarHBondContact O-CB 3.38Å; S77-Q81 WeakPolarHBondContact O-CG 3.11Å; S77-Q81 PolarHBondContact O-N 3.26Å
78R58.6Low57.2Low60 Ų6061.4 Ų61.423%0.22634%0.337CS..Hα-helixtrans-60.6-40.9177-66.5170.9-168.7-131.913.3112E74 F82 C121 E127 F131E74-R78 WeakPolarHBondContact O-CB 3.43Å; E74-R78 VanDerWaalsContact O-CG 3.27Å; E74-R78 WeakPolarHBondContact O-CG 3.2Å; E74-R78 PolarHBondContact O-N 2.86Å; E74-R78 IonicContact OE2-CZ 2.75Å; E74-R78 IonicContact OE2-NE 3.58Å; E74-R78 PolarHBondContact OE2-NE 3.17Å; E74-R78 IonicContact OE2-NH2 3.77Å; E74-R78 PolarHBondContact OE2-NH2 3.37Å; R78-F82 VanDerWaalsContact O-CB 3.28Å; R78-F82 WeakPolarHBondContact O-CB 3.44Å; R78-F82 PolarHBondContact O-N 2.97Å; R78-C121 PolarHBondContact NH1-SG 2.97Å; R78-E127 IonicContact CZ-OE2 2.86Å; R78-E127 IonicContact NH1-OE2 3.95Å; R78-E127 PolarHBondContact NH1-OE2 2.92Å; R78-E127 IonicContact NH2-OE2 3.71Å; R78-E127 PolarHBondContact NH2-OE2 3.1Å; R78-F131 HydrophobicContact CB-CE2 4.3Å
79E60.9Low57.4Low20 Ų2057.1 Ų57.19%0.09331%0.307CS..Hα-helixtrans-62.2-49174.5178.570.7-140.800112R75 S77 F82 Q83 R139 Y140R75-E79 WeakPolarHBondContact O-CB 3.38Å; R75-E79 PolarHBondContact O-N 3.46Å; S77-E79 VanDerWaalsContact C-N 3.34Å; S77-E79 PolarHBondContact O-N 3.31Å; E79-F82 PolarHBondContact O-N 3.1Å; E79-Q83 WeakPolarHBondContact O-CG 3.49Å; E79-Q83 PolarHBondContact O-N 3.49Å; E79-Q83 PolarHBondContact OE1-NE2 3.13Å; E79-R139 IonicContact OE1-CZ 3.87Å; E79-R139 IonicContact OE1-NH1 3.32Å; E79-R139 PolarHBondContact OE1-NH1 2.86Å; E79-R139 IonicContact OE1-NH2 3.12Å; E79-R139 IonicContact OE2-CZ 3.77Å; E79-R139 VanDerWaalsContact OE2-CZ 3.32Å; E79-R139 IonicContact OE2-NH1 2.66Å; E79-R139 PolarHBondContact OE2-NH1 2.83Å; E79-R139 IonicContact OE2-NH2 2.7Å; E79-R139 PolarHBondContact OE2-NH2 2.82Å; E79-Y140 PolarHBondContact OE1-OH 3.42Å
80L59.4Low57.6Low62 Ų6255 Ų5533%0.32529%0.29SS..Hα-helixtrans-64-43.2178-176.668000111.5L76 S77 F82 Q83 I84L76-L80 VanDerWaalsContact O-CB 3.25Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 PolarHBondContact O-N 3.13Å; S77-L80 PolarHBondContact O-N 2.86Å; L80-F82 VanDerWaalsContact C-N 3.3Å; L80-F82 PolarHBondContact O-N 2.87Å; L80-Q83 PolarHBondContact O-N 2.96Å; L80-I84 HydrophobicContact CG-CD1 4.22Å; L80-I84 VanDerWaalsContact O-CG1 3.27Å; L80-I84 WeakPolarHBondContact O-CG1 3.27Å; L80-I84 PolarHBondContact O-N 2.91Å
81Q63Low57.8Low18 Ų1855 Ų558%0.08428%0.284CS..Hα-helixtrans-60.8-37.7173.8-71.5167.5-2100111.8L64 S77 I84 L85 L120L64-Q81 HydrophobicContact CD2-CG 4.35Å; S77-Q81 WeakPolarHBondContact O-CB 3.38Å; S77-Q81 WeakPolarHBondContact O-CG 3.11Å; S77-Q81 PolarHBondContact O-N 3.26Å; Q81-I84 PolarHBondContact O-N 2.87Å; Q81-L85 PolarHBondContact O-N 3.29Å; Q81-L120 HydrophobicContact CB-CD1 3.98Å; Q81-L120 HydrophobicContact CB-CD2 3.75Å; Q81-L120 HydrophobicContact CB-CG 3.71Å; Q81-L120 HydrophobicContact CG-CG 4.39Å
82F63.6Low57.8Low0 Ų049.4 Ų49.40%025%0.253CS..Hα-helixtrans-73.5-36.2176-171.4-99.6000112.9R78 E79 L80 I84 L85 L86 W128 F131 L132 V136 Y140 L148R78-F82 VanDerWaalsContact O-CB 3.28Å; R78-F82 WeakPolarHBondContact O-CB 3.44Å; R78-F82 PolarHBondContact O-N 2.97Å; E79-F82 PolarHBondContact O-N 3.1Å; L80-F82 VanDerWaalsContact C-N 3.3Å; L80-F82 PolarHBondContact O-N 2.87Å; F82-I84 VanDerWaalsContact C-N 3.33Å; F82-L85 HydrophobicContact CD2-CD2 3.88Å; F82-L85 HydrophobicContact CE2-CD2 3.97Å; F82-L85 WeakPolarHBondContact O-CB 3.34Å; F82-L85 PolarHBondContact O-N 3.28Å; F82-L86 HydrophobicContact CD1-CD1 4Å; F82-L86 HydrophobicContact CD1-CG 4.1Å; F82-L86 HydrophobicContact CE1-CD1 3.58Å; F82-L86 HydrophobicContact CE1-CD2 4.03Å; F82-L86 HydrophobicContact CE1-CG 3.69Å; F82-L86 HydrophobicContact CZ-CD1 4.41Å; F82-L86 HydrophobicContact CZ-CD2 4.04Å; F82-L86 HydrophobicContact CZ-CG 4.13Å; F82-L86 WeakPolarHBondContact O-CG 3.17Å; F82-L86 PolarHBondContact O-N 2.73Å; F82-W128 HydrophobicContact CD2-CH2 4.32Å; F82-W128 HydrophobicContact CD2-CZ3 4.1Å; F82-W128 HydrophobicContact CE2-CZ3 4.21Å; F82-F131 HydrophobicContact CB-CE1 3.88Å; F82-F131 HydrophobicContact CB-CZ 3.87Å; F82-F131 HydrophobicContact CD1-CE1 4.31Å; F82-F131 AromaticContact CD2-CE1 3.79Å; F82-F131 HydrophobicContact CD2-CE1 3.79Å; F82-F131 HydrophobicContact CE2-CE1 4.43Å; F82-F131 AromaticContact CG-CE1 3.72Å; F82-F131 HydrophobicContact CG-CE1 3.72Å; F82-F131 HydrophobicContact CG-CZ 4.1Å; F82-L132 HydrophobicContact CE2-CD2 3.82Å; F82-L132 HydrophobicContact CZ-CD2 3.89Å; F82-V136 HydrophobicContact CD1-CG1 3.98Å; F82-V136 HydrophobicContact CE1-CG1 3.26Å; F82-V136 HydrophobicContact CZ-CG1 3.63Å; F82-Y140 HydrophobicContact CE1-CD2 4.32Å; F82-L148 HydrophobicContact CE1-CD2 4.46Å; F82-L148 HydrophobicContact CZ-CD2 3.89Å
83Q63.3Low57.6Low53 Ų5349 Ų4925%0.24823%0.233CC..Hα-helixtrans-64.7-38.5171.3-71.4176.723.200111.4E79 L80 L86 V87 Y140E79-Q83 WeakPolarHBondContact O-CG 3.49Å; E79-Q83 PolarHBondContact O-N 3.49Å; E79-Q83 PolarHBondContact OE1-NE2 3.13Å; L80-Q83 PolarHBondContact O-N 2.96Å; Q83-L86 PolarHBondContact O-N 3.03Å; Q83-V87 WeakPolarHBondContact O-CB 3.36Å; Q83-V87 VanDerWaalsContact O-CG2 3.31Å; Q83-V87 WeakPolarHBondContact O-CG2 3.08Å; Q83-V87 PolarHBondContact O-N 3.43Å; Q83-Y140 WeakPolarHBondContact CG-OH 3.25Å; Q83-Y140 PolarHBondContact NE2-OH 3.43Å
84I62.4Low56.9Low64 Ų6450.4 Ų50.433%0.32825%0.247SC..Hα-helixtrans-61.1-45.8170-69.6163.6000110.3L80 Q81 F82 L86 V87 L88L80-I84 HydrophobicContact CG-CD1 4.22Å; L80-I84 VanDerWaalsContact O-CG1 3.27Å; L80-I84 WeakPolarHBondContact O-CG1 3.27Å; L80-I84 PolarHBondContact O-N 2.91Å; Q81-I84 PolarHBondContact O-N 2.87Å; F82-I84 VanDerWaalsContact C-N 3.33Å; I84-L86 PolarHBondContact O-N 3.46Å; I84-V87 PolarHBondContact O-N 3.42Å; I84-L88 HydrophobicContact CG2-CD1 3.78Å; I84-L88 HydrophobicContact CG2-CG 4.23Å; I84-L88 WeakPolarHBondContact O-CB 3.49Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.48Å; I84-L88 PolarHBondContact O-N 2.86Å
85L63.2Low56.4Low4 Ų450.1 Ų50.12%0.02126%0.257CS..Hα-helixtrans-56.2-48.1175.4-175.972000111.7Q81 F82 L88 H89 L114 I115Q81-L85 PolarHBondContact O-N 3.29Å; F82-L85 HydrophobicContact CD2-CD2 3.88Å; F82-L85 HydrophobicContact CE2-CD2 3.97Å; F82-L85 WeakPolarHBondContact O-CB 3.34Å; F82-L85 PolarHBondContact O-N 3.28Å; L85-L88 PolarHBondContact O-N 3.12Å; L85-H89 VanDerWaalsContact O-CB 3.29Å; L85-H89 WeakPolarHBondContact O-CB 3.34Å; L85-H89 PolarHBondContact O-N 3.16Å; L85-L114 HydrophobicContact CD1-CD2 3.5Å; L85-I115 HydrophobicContact CD2-CD1 4.26Å; L85-I115 HydrophobicContact CD2-CG1 4.17Å
86L62.7Low56Low3 Ų346.1 Ų46.12%0.01624%0.243CC..Hα-helixtrans-63.1-43.5178.2-74.1-177.1000113.1F82 Q83 I84 H89 T90 Y140 F144 T147F82-L86 HydrophobicContact CD1-CD1 4Å; F82-L86 HydrophobicContact CD1-CG 4.1Å; F82-L86 HydrophobicContact CE1-CD1 3.58Å; F82-L86 HydrophobicContact CE1-CD2 4.03Å; F82-L86 HydrophobicContact CE1-CG 3.69Å; F82-L86 HydrophobicContact CZ-CD1 4.41Å; F82-L86 HydrophobicContact CZ-CD2 4.04Å; F82-L86 HydrophobicContact CZ-CG 4.13Å; F82-L86 WeakPolarHBondContact O-CG 3.17Å; F82-L86 PolarHBondContact O-N 2.73Å; Q83-L86 PolarHBondContact O-N 3.03Å; I84-L86 PolarHBondContact O-N 3.46Å; L86-H89 PolarHBondContact O-N 3.26Å; L86-T90 PolarHBondContact O-N 2.89Å; L86-T90 PolarHBondContact O-OG1 3.41Å; L86-Y140 HydrophobicContact CD1-CD1 3.56Å; L86-Y140 HydrophobicContact CD1-CD2 3.92Å; L86-Y140 HydrophobicContact CD1-CE1 3.96Å; L86-Y140 HydrophobicContact CD1-CE2 4.29Å; L86-Y140 HydrophobicContact CD1-CG 3.55Å; L86-F144 HydrophobicContact CB-CD1 3.95Å; L86-F144 HydrophobicContact CB-CE1 3.7Å; L86-F144 HydrophobicContact CB-CG 4.48Å; L86-F144 HydrophobicContact CB-CZ 4.06Å; L86-F144 HydrophobicContact CD1-CD1 4.38Å; L86-F144 HydrophobicContact CD1-CD2 3.96Å; L86-F144 HydrophobicContact CD1-CE2 4.13Å; L86-F144 HydrophobicContact CD1-CG 4.1Å; L86-F144 HydrophobicContact CD1-CZ 4.42Å; L86-F144 HydrophobicContact CD2-CB 4Å; L86-F144 HydrophobicContact CD2-CD1 3.88Å; L86-F144 HydrophobicContact CD2-CG 3.94Å; L86-F144 HydrophobicContact CG-CD1 4.3Å; L86-F144 HydrophobicContact CG-CE1 4.48Å; L86-F144 HydrophobicContact CG-CG 4.42Å; L86-F144 WeakPolarHBondContact O-CE1 3.4Å; L86-T147 HydrophobicContact CD2-CG2 3.76Å
87V59.7Low55.4Low42 Ų4248.3 Ų48.326%0.25525%0.251SS..Hα-helixtrans-70.3-35.1179.5171.20000111.8F29 Q83 I84 T90 R91F29-V87 HydrophobicContact CE1-CG1 3.97Å; F29-V87 HydrophobicContact CZ-CG1 3.94Å; Q83-V87 WeakPolarHBondContact O-CB 3.36Å; Q83-V87 VanDerWaalsContact O-CG2 3.31Å; Q83-V87 WeakPolarHBondContact O-CG2 3.08Å; Q83-V87 PolarHBondContact O-N 3.43Å; I84-V87 PolarHBondContact O-N 3.42Å; V87-T90 PolarHBondContact O-OG1 2.97Å; V87-R91 WeakPolarHBondContact O-CG 3.29Å; V87-R91 PolarHBondContact O-N 2.85Å
88L57.2Low54.7Low33 Ų3357.4 Ų57.417%0.17329%0.292CS..Hα-helixtrans-68.3-38.9171-68.9177.7000111.3F15 I84 L85 R91 L92 L114F15-L88 HydrophobicContact CE2-CD1 3.95Å; F15-L88 HydrophobicContact CE2-CD2 3.73Å; F15-L88 HydrophobicContact CZ-CD1 3.93Å; F15-L88 HydrophobicContact CZ-CD2 4.49Å; I84-L88 HydrophobicContact CG2-CD1 3.78Å; I84-L88 HydrophobicContact CG2-CG 4.23Å; I84-L88 WeakPolarHBondContact O-CB 3.49Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.48Å; I84-L88 PolarHBondContact O-N 2.86Å; L85-L88 PolarHBondContact O-N 3.12Å; L88-R91 PolarHBondContact O-N 2.71Å; L88-L92 PolarHBondContact O-N 3.35Å; L88-L114 HydrophobicContact CD1-CD2 4.47Å
89H57.3Low53.7Low2 Ų257.3 Ų57.31%0.00930%0.304CS..Hα-helixtrans-66.7-43.1179.1-164-90.5000112.6L85 L86 L92 L93 T147L85-H89 VanDerWaalsContact O-CB 3.29Å; L85-H89 WeakPolarHBondContact O-CB 3.34Å; L85-H89 PolarHBondContact O-N 3.16Å; L86-H89 PolarHBondContact O-N 3.26Å; H89-L92 WeakPolarHBondContact O-CB 3.25Å; H89-L92 PolarHBondContact O-N 2.85Å; H89-L93 WeakPolarHBondContact O-CG 3.36Å; H89-L93 PolarHBondContact O-N 2.91Å; H89-T147 HydrophobicContact CB-CG2 4.04Å; H89-T147 PolarHBondContact CE1-OG1 2.95Å; H89-T147 WeakPolarHBondContact ND1-CG2 3.48Å; H89-T147 PolarHBondContact ND1-OG1 2.93Å
90T52.4Low52.8Low38 Ų3864.1 Ų64.123%0.23334%0.341CS..Hα-helixtrans-67.9-35.3174.345.10000112.7L86 V87 L92 L93 C94 F144L86-T90 PolarHBondContact O-N 2.89Å; L86-T90 PolarHBondContact O-OG1 3.41Å; V87-T90 PolarHBondContact O-OG1 2.97Å; T90-L92 VanDerWaalsContact C-N 3.3Å; T90-L92 PolarHBondContact O-N 3.31Å; T90-L93 PolarHBondContact O-N 3.49Å; T90-C94 WeakPolarHBondContact O-CB 3.23Å; T90-C94 PolarHBondContact O-N 3.39Å; T90-C94 PolarHBondContact O-SG 2.84Å; T90-F144 HydrophobicContact CG2-CD1 3.57Å; T90-F144 HydrophobicContact CG2-CE1 3.4Å
91R50.4Low51.9Low94 Ų9469.4 Ų69.436%0.35537%0.366SS..Hα-helixtrans-63.9-34170.5-75-175.3-176.6-122.32112.6E28 V87 L88 S95E28-R91 VanDerWaalsContact CD-NH2 3.32Å; E28-R91 IonicContact OE1-NH2 3.88Å; E28-R91 IonicContact OE2-CZ 3.72Å; E28-R91 IonicContact OE2-NH1 2.96Å; E28-R91 PolarHBondContact OE2-NH1 2.96Å; E28-R91 IonicContact OE2-NH2 2.74Å; E28-R91 PolarHBondContact OE2-NH2 3.49Å; V87-R91 WeakPolarHBondContact O-CG 3.29Å; V87-R91 PolarHBondContact O-N 2.85Å; L88-R91 PolarHBondContact O-N 2.71Å; R91-S95 WeakPolarHBondContact O-CB 3.38Å; R91-S95 PolarHBondContact O-N 2.83Å; R91-S95 PolarHBondContact O-OG 3.33Å
92L52.3Low50.7Low35 Ų3571.7 Ų71.718%0.18338%0.383CS..Hα-helixtrans-67.9-52.8171-106.474.9000111.7L88 H89 T90 C94 S95 F96 L107 W110L88-L92 PolarHBondContact O-N 3.35Å; H89-L92 WeakPolarHBondContact O-CB 3.25Å; H89-L92 PolarHBondContact O-N 2.85Å; T90-L92 VanDerWaalsContact C-N 3.3Å; T90-L92 PolarHBondContact O-N 3.31Å; L92-C94 PolarHBondContact O-N 3.21Å; L92-S95 CarbonylContact O-C 3.56Å; L92-S95 WeakPolarHBondContact O-CA 3.28Å; L92-S95 VanDerWaalsContact O-CB 3.3Å; L92-S95 WeakPolarHBondContact O-CB 3.27Å; L92-S95 PolarHBondContact O-N 2.89Å; L92-F96 HydrophobicContact CB-CE2 4.42Å; L92-F96 HydrophobicContact CD2-CE2 4.24Å; L92-F96 HydrophobicContact CG-CE2 4.15Å; L92-F96 WeakPolarHBondContact O-CD2 3.49Å; L92-F96 PolarHBondContact O-N 3.44Å; L92-L107 HydrophobicContact CD2-CD1 4.47Å; L92-W110 HydrophobicContact CD1-CH2 4.03Å; L92-W110 HydrophobicContact CD1-CZ2 4.36Å; L92-W110 HydrophobicContact CD2-CD2 4.29Å; L92-W110 HydrophobicContact CD2-CE3 3.97Å; L92-W110 HydrophobicContact CD2-CH2 3.67Å; L92-W110 HydrophobicContact CD2-CZ2 3.99Å; L92-W110 HydrophobicContact CD2-CZ3 3.66Å; L92-W110 HydrophobicContact CG-CH2 4.47Å
93L48Very low49.7Very low63 Ų6374.3 Ų74.333%0.3341%0.405SS..Hα-helixtrans-58-47.5-178.5-72.1-178.5000112.2H89 T90 S95 F96 E97 L107 T147H89-L93 WeakPolarHBondContact O-CG 3.36Å; H89-L93 PolarHBondContact O-N 2.91Å; T90-L93 PolarHBondContact O-N 3.49Å; L93-S95 PolarHBondContact O-N 2.9Å; L93-S95 VanDerWaalsContact O-N 3.09Å; L93-F96 CarbonylContact O-C 3.57Å; L93-F96 WeakPolarHBondContact O-CA 3.36Å; L93-F96 PolarHBondContact O-N 3.31Å; L93-E97 PolarHBondContact O-N 3.48Å; L93-L107 HydrophobicContact CD2-CD2 4.32Å; L93-T147 WeakPolarHBondContact CD1-OG1 3.32Å
94C39.2Very low49.1Very low85 Ų8576.5 Ų76.557%0.57442%0.418SS*.THydrogen-bonded Turntrans-68.4-4.9174.7-64.40000113.9T90 L92T90-C94 WeakPolarHBondContact O-CB 3.23Å; T90-C94 PolarHBondContact O-N 3.39Å; T90-C94 PolarHBondContact O-SG 2.84Å; L92-C94 PolarHBondContact O-N 3.21Å
95S44.4Very low48.7Very low98 Ų9880.3 Ų80.369%0.68543%0.434SS*.THydrogen-bonded Turntrans-98-6.8167.7-56.70000113.3R91 L92 L93R91-S95 WeakPolarHBondContact O-CB 3.38Å; R91-S95 PolarHBondContact O-N 2.83Å; R91-S95 PolarHBondContact O-OG 3.33Å; L92-S95 CarbonylContact O-C 3.56Å; L92-S95 WeakPolarHBondContact O-CA 3.28Å; L92-S95 VanDerWaalsContact O-CB 3.3Å; L92-S95 WeakPolarHBondContact O-CB 3.27Å; L92-S95 PolarHBondContact O-N 2.89Å; L93-S95 PolarHBondContact O-N 2.9Å; L93-S95 VanDerWaalsContact O-N 3.09Å
96F45.5Very low48.3Very low75 Ų7585.8 Ų85.833%0.32946%0.46SS..THydrogen-bonded Turntrans-113.9-2.8176.8-71.1-63.8000113.4I11 L92 L93 E98 A99I11-F96 HydrophobicContact CD1-CZ 4.37Å; L92-F96 HydrophobicContact CB-CE2 4.42Å; L92-F96 HydrophobicContact CD2-CE2 4.24Å; L92-F96 HydrophobicContact CG-CE2 4.15Å; L92-F96 WeakPolarHBondContact O-CD2 3.49Å; L92-F96 PolarHBondContact O-N 3.44Å; L93-F96 CarbonylContact O-C 3.57Å; L93-F96 WeakPolarHBondContact O-CA 3.36Å; L93-F96 PolarHBondContact O-N 3.31Å; F96-E98 PolarHBondContact O-N 3.02Å; F96-A99 PolarHBondContact O-N 2.88Å
97E43.5Very low47.8Very low153 Ų15387.1 Ų87.172%0.71547%0.467SS*.THydrogen-bonded Turntrans-65.2-8.2-176.3-149156.2-155.500114.2L93L93-E97 PolarHBondContact O-N 3.48Å
98E41.8Very low47.5Very low204 Ų20485.2 Ų85.295%0.95346%0.456SS*.THydrogen-bonded Turntrans-97.65.2169.8-64.3-174.9144.100113.8F96F96-E98 PolarHBondContact O-N 3.02Å
99A38.3Very low47.6Very low57 Ų5789.5 Ų89.547%0.47148%0.479SS..  trans-142.289.5-171.100000114.6F96 M101F96-A99 PolarHBondContact O-N 2.88Å; A99-M101 PolarHBondContact O-N 3.44Å
100D41.3Very low47.7Very low164 Ų16491.4 Ų91.488%0.87749%0.486SS*.THydrogen-bonded Turntrans-43.7-1.7178.1-100.3-25.3000119.5
101M39.9Very low47.9Very low172 Ų17289.6 Ų89.685%0.84748%0.475SS*.THydrogen-bonded Turntrans-136.422.5-156.4-71-82.295.700115.5A99 A103A99-M101 PolarHBondContact O-N 3.44Å; M101-A103 PolarHBondContact O-N 3.4Å
102C39.4Very low48.3Very low66 Ų6686.6 Ų86.645%0.44647%0.468SS..  trans-87.2104.6172.1-145.50000110.2
103A42.7Very low48.7Very low55 Ų5588.8 Ų88.846%0.45548%0.478SS..  trans-66.1133.9-170.800000112.9M101 H105 E106M101-A103 PolarHBondContact O-N 3.4Å; A103-H105 PolarHBondContact O-N 3.35Å; A103-E106 PolarHBondContact O-N 2.96Å
104D50.6Low49.2Very low99 Ų9986.6 Ų86.653%0.52947%0.466SS..Hα-helixtrans-54.2-30.1-169.9-46-73000113.9L107 G108D104-L107 PolarHBondContact O-N 3.2Å; D104-G108 PolarHBondContact O-N 2.89Å
105H52.2Low50.2Low144 Ų14482.6 Ų82.667%0.66744%0.439SS*.Hα-helixtrans-66.7-38.4178.4-55-30.2000113.4A103 L107 G108 D109A103-H105 PolarHBondContact O-N 3.35Å; H105-L107 VanDerWaalsContact C-N 3.33Å; H105-G108 PolarHBondContact O-N 3.38Å; H105-D109 PolarHBondContact O-N 3.11Å
106E55.6Low51Low119 Ų11980.6 Ų80.656%0.55643%0.425SS*.Hα-helixtrans-70.2-34.4178.7-67.5-167.3178.500111.1A103 W110A103-E106 PolarHBondContact O-N 2.96Å; E106-W110 WeakPolarHBondContact O-CB 3.31Å; E106-W110 PolarHBondContact O-N 3.35Å; E106-W110 VanDerWaalsContact O-N 3.12Å
107L51.3Low51.4Low32 Ų3283.5 Ų83.517%0.16843%0.434CS..Hα-helixtrans-68.4-37.8171.7-176.559.4000111.4L92 L93 D104 H105 W110 I111L92-L107 HydrophobicContact CD2-CD1 4.47Å; L93-L107 HydrophobicContact CD2-CD2 4.32Å; D104-L107 PolarHBondContact O-N 3.2Å; H105-L107 VanDerWaalsContact C-N 3.33Å; L107-W110 HydrophobicContact CD1-CE3 4.22Å; L107-W110 PolarHBondContact O-N 3.01Å; L107-I111 HydrophobicContact CD1-CD1 4.42Å; L107-I111 HydrophobicContact CG-CD1 4.08Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.26Å; L107-I111 PolarHBondContact O-N 2.92Å
108G53.6Low52Low2 Ų278.1 Ų78.12%0.02141%0.41CS..Hα-helixtrans-66.4-46.1176.800000115D104 H105 W110 I111 S112 N154D104-G108 PolarHBondContact O-N 2.89Å; H105-G108 PolarHBondContact O-N 3.38Å; G108-W110 VanDerWaalsContact C-N 3.27Å; G108-W110 PolarHBondContact O-N 2.97Å; G108-I111 PolarHBondContact O-N 3.39Å; G108-S112 WeakPolarHBondContact O-CB 3.36Å; G108-S112 PolarHBondContact O-N 3.18Å; G108-S112 PolarHBondContact O-OG 2.9Å; G108-N154 VanDerWaalsContact CA-CB 3.44Å; G108-N154 WeakPolarHBondContact CA-ND2 3.43Å
109D59.7Low52.6Low123 Ų12373.4 Ų73.466%0.65840%0.4SS*.Hα-helixtrans-61.4-38.8172.4-78.7-16.3000110.5H105 S112 E113H105-D109 PolarHBondContact O-N 3.11Å; D109-S112 PolarHBondContact O-N 2.72Å; D109-E113 WeakPolarHBondContact O-CB 3.29Å; D109-E113 PolarHBondContact O-N 2.95Å
110W60.5Low53.2Low41 Ų4171 Ų7116%0.15538%0.379CS..Hα-helixtrans-67.2-45.1176.2-177.578.6000113.5F8 L92 E106 L107 G108 S112 E113 L114F8-W110 AromaticContact CE1-CD1 3.79Å; F8-W110 HydrophobicContact CZ-CB 4.28Å; F8-W110 AromaticContact CZ-CD1 3.92Å; F8-W110 HydrophobicContact CZ-CG 4.31Å; L92-W110 HydrophobicContact CD1-CH2 4.03Å; L92-W110 HydrophobicContact CD1-CZ2 4.36Å; L92-W110 HydrophobicContact CD2-CD2 4.29Å; L92-W110 HydrophobicContact CD2-CE3 3.97Å; L92-W110 HydrophobicContact CD2-CH2 3.67Å; L92-W110 HydrophobicContact CD2-CZ2 3.99Å; L92-W110 HydrophobicContact CD2-CZ3 3.66Å; L92-W110 HydrophobicContact CG-CH2 4.47Å; E106-W110 WeakPolarHBondContact O-CB 3.31Å; E106-W110 PolarHBondContact O-N 3.35Å; E106-W110 VanDerWaalsContact O-N 3.12Å; L107-W110 HydrophobicContact CD1-CE3 4.22Å; L107-W110 PolarHBondContact O-N 3.01Å; G108-W110 VanDerWaalsContact C-N 3.27Å; G108-W110 PolarHBondContact O-N 2.97Å; W110-S112 VanDerWaalsContact C-N 3.28Å; W110-S112 PolarHBondContact O-N 2.73Å; W110-E113 PolarHBondContact O-N 3.3Å; W110-L114 HydrophobicContact CH2-CD1 4.26Å; W110-L114 HydrophobicContact CH2-CD2 4.43Å; W110-L114 HydrophobicContact CZ2-CD1 3.79Å; W110-L114 WeakPolarHBondContact O-CB 3.46Å; W110-L114 PolarHBondContact O-N 2.88Å
111I55.8Low53.7Low1 Ų164.3 Ų64.31%0.00534%0.344CS..Hα-helixtrans-58.2-44.6174-71.5162.8000109.9L107 G108 L114 I115 V151L107-I111 HydrophobicContact CD1-CD1 4.42Å; L107-I111 HydrophobicContact CG-CD1 4.08Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.26Å; L107-I111 PolarHBondContact O-N 2.92Å; G108-I111 PolarHBondContact O-N 3.39Å; I111-L114 PolarHBondContact O-N 3.47Å; I111-I115 HydrophobicContact CG2-CD1 3.75Å; I111-I115 HydrophobicContact CG2-CG1 4.49Å; I111-I115 WeakPolarHBondContact O-CB 3.15Å; I111-I115 WeakPolarHBondContact O-CG1 3.49Å; I111-I115 PolarHBondContact O-N 2.88Å; I111-V151 HydrophobicContact CD1-CG2 4.11Å; I111-V151 HydrophobicContact CG2-CG2 4.25Å
112S58Low54.4Low30 Ų3062.1 Ų62.121%0.2134%0.336CS..Hα-helixtrans-66.5-40.1179.3-57.50000112.2G108 D109 W110 S116G108-S112 WeakPolarHBondContact O-CB 3.36Å; G108-S112 PolarHBondContact O-N 3.18Å; G108-S112 PolarHBondContact O-OG 2.9Å; D109-S112 PolarHBondContact O-N 2.72Å; W110-S112 VanDerWaalsContact C-N 3.28Å; W110-S112 PolarHBondContact O-N 2.73Å; S112-S116 VanDerWaalsContact O-CB 3.31Å; S112-S116 WeakPolarHBondContact O-CB 3.13Å; S112-S116 PolarHBondContact O-N 3.42Å; S112-S116 PolarHBondContact O-OG 2.95Å
113E61.5Low55Low82 Ų8262.3 Ų62.338%0.38334%0.337SS..Hα-helixtrans-65.5-39.9173.2-166.2-171.2-15400111.4D109 W110 S116 R117D109-E113 WeakPolarHBondContact O-CB 3.29Å; D109-E113 PolarHBondContact O-N 2.95Å; W110-E113 PolarHBondContact O-N 3.3Å; E113-S116 PolarHBondContact O-N 3.2Å; E113-R117 WeakPolarHBondContact O-CB 3.4Å; E113-R117 WeakPolarHBondContact O-CG 3.2Å; E113-R117 PolarHBondContact O-N 2.7Å; E113-R117 IonicContact OE1-CZ 4Å; E113-R117 IonicContact OE1-NH1 2.85Å; E113-R117 PolarHBondContact OE1-NH1 2.85Å; E113-R117 VanDerWaalsContact OE1-NH1 3.12Å; E113-R117 IonicContact OE1-NH2 3.5Å; E113-R117 PolarHBondContact OE1-NH2 3.42Å; E113-R117 IonicContact OE2-CZ 3.77Å; E113-R117 IonicContact OE2-NH1 2.65Å; E113-R117 PolarHBondContact OE2-NH1 3.18Å; E113-R117 IonicContact OE2-NH2 3.13Å
114L59.3Low55.5Low17 Ų1764.9 Ų64.99%0.08935%0.347CS..Hα-helixtrans-70.9-43.4179.8-159.1102.3000111.9L85 L88 W110 I111 S116 R117 L118L85-L114 HydrophobicContact CD1-CD2 3.5Å; L88-L114 HydrophobicContact CD1-CD2 4.47Å; W110-L114 HydrophobicContact CH2-CD1 4.26Å; W110-L114 HydrophobicContact CH2-CD2 4.43Å; W110-L114 HydrophobicContact CZ2-CD1 3.79Å; W110-L114 WeakPolarHBondContact O-CB 3.46Å; W110-L114 PolarHBondContact O-N 2.88Å; I111-L114 PolarHBondContact O-N 3.47Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 3.46Å; L114-R117 PolarHBondContact O-N 3.38Å; L114-L118 HydrophobicContact CD2-CD1 3.8Å; L114-L118 HydrophobicContact CG-CD1 4.14Å; L114-L118 HydrophobicContact CG-CG 4.5Å; L114-L118 WeakPolarHBondContact O-CB 3.3Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.34Å; L114-L118 PolarHBondContact O-N 3.05Å
115I59.7Low55.7Low1 Ų169.3 Ų69.31%0.00536%0.356CS..Hα-helixtrans-55-48170.6-79.5169000110.4L85 I111 R117 L118 L120 W128 L155L85-I115 HydrophobicContact CD2-CD1 4.26Å; L85-I115 HydrophobicContact CD2-CG1 4.17Å; I111-I115 HydrophobicContact CG2-CD1 3.75Å; I111-I115 HydrophobicContact CG2-CG1 4.49Å; I111-I115 WeakPolarHBondContact O-CB 3.15Å; I111-I115 WeakPolarHBondContact O-CG1 3.49Å; I111-I115 PolarHBondContact O-N 2.88Å; I115-R117 PolarHBondContact O-N 3.49Å; I115-L118 PolarHBondContact O-N 2.88Å; I115-L120 HydrophobicContact CG1-CD1 4.4Å; I115-L120 HydrophobicContact CG2-CB 4.43Å; I115-L120 PolarHBondContact O-N 3.04Å; I115-W128 HydrophobicContact CB-CZ2 4.24Å; I115-W128 HydrophobicContact CD1-CH2 3.88Å; I115-W128 HydrophobicContact CD1-CZ2 3.7Å; I115-W128 HydrophobicContact CG1-CH2 4.07Å; I115-W128 HydrophobicContact CG1-CZ2 3.77Å; I115-W128 HydrophobicContact CG2-CZ2 3.49Å; I115-W128 VanDerWaalsContact CG2-CZ2 3.49Å; I115-L155 HydrophobicContact CD1-CD2 4.26Å
116S60.3Low56Low55 Ų5567 Ų6739%0.38535%0.349SS..Hα-helixtrans-65.7-37.4179-56.60000112.2S112 E113 L114 S119S112-S116 VanDerWaalsContact O-CB 3.31Å; S112-S116 WeakPolarHBondContact O-CB 3.13Å; S112-S116 PolarHBondContact O-N 3.42Å; S112-S116 PolarHBondContact O-OG 2.95Å; E113-S116 PolarHBondContact O-N 3.2Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 3.46Å; S116-S119 PolarHBondContact O-N 3.09Å
117R55.1Low56.2Low136 Ų13665.7 Ų65.751%0.51334%0.343SS..Hα-helixtrans-71-35.9177.2-86-170.8174.2117.719.2114.1E113 L114 I115 S119E113-R117 WeakPolarHBondContact O-CB 3.4Å; E113-R117 WeakPolarHBondContact O-CG 3.2Å; E113-R117 PolarHBondContact O-N 2.7Å; E113-R117 IonicContact OE1-CZ 4Å; E113-R117 IonicContact OE1-NH1 2.85Å; E113-R117 PolarHBondContact OE1-NH1 2.85Å; E113-R117 VanDerWaalsContact OE1-NH1 3.12Å; E113-R117 IonicContact OE1-NH2 3.5Å; E113-R117 PolarHBondContact OE1-NH2 3.42Å; E113-R117 IonicContact OE2-CZ 3.77Å; E113-R117 IonicContact OE2-NH1 2.65Å; E113-R117 PolarHBondContact OE2-NH1 3.18Å; E113-R117 IonicContact OE2-NH2 3.13Å; L114-R117 PolarHBondContact O-N 3.38Å; I115-R117 PolarHBondContact O-N 3.49Å; R117-S119 PolarHBondContact O-N 2.74Å
118L54.8Low56.5Low40 Ų4064.6 Ų64.621%0.20934%0.336CS..THydrogen-bonded Turntrans-75.2-1.8178.7-71.8172.1000112.6L114 I115 L120L114-L118 HydrophobicContact CD2-CD1 3.8Å; L114-L118 HydrophobicContact CG-CD1 4.14Å; L114-L118 HydrophobicContact CG-CG 4.5Å; L114-L118 WeakPolarHBondContact O-CB 3.3Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.34Å; L114-L118 PolarHBondContact O-N 3.05Å; I115-L118 PolarHBondContact O-N 2.88Å; L118-L120 HydrophobicContact CB-CB 4.24Å; L118-L120 HydrophobicContact CB-CD1 4.26Å; L118-L120 HydrophobicContact CB-CG 4.31Å; L118-L120 HydrophobicContact CD1-CD1 4.05Å; L118-L120 PolarHBondContact O-N 2.95Å
119S55Low56.8Low106 Ų10669.3 Ų69.374%0.74136%0.356SS*.THydrogen-bonded Turntrans53.730.5-171.9-55.30000112.3S116 R117 C121S116-S119 PolarHBondContact O-N 3.09Å; R117-S119 PolarHBondContact O-N 2.74Å; S119-C121 PolarHBondContact O-N 2.87Å
120L51.9Low57.1Low6 Ų668.6 Ų68.63%0.03135%0.353CS..SBendtrans-69-38.2-168.2-129.2170.9000111.6Q81 I115 L118 W128Q81-L120 HydrophobicContact CB-CD1 3.98Å; Q81-L120 HydrophobicContact CB-CD2 3.75Å; Q81-L120 HydrophobicContact CB-CG 3.71Å; Q81-L120 HydrophobicContact CG-CG 4.39Å; I115-L120 HydrophobicContact CG1-CD1 4.4Å; I115-L120 HydrophobicContact CG2-CB 4.43Å; I115-L120 PolarHBondContact O-N 3.04Å; L118-L120 HydrophobicContact CB-CB 4.24Å; L118-L120 HydrophobicContact CB-CD1 4.26Å; L118-L120 HydrophobicContact CB-CG 4.31Å; L118-L120 HydrophobicContact CD1-CD1 4.05Å; L118-L120 PolarHBondContact O-N 2.95Å; L120-W128 HydrophobicContact CB-CZ2 4.23Å; L120-W128 HydrophobicContact CD1-CH2 4.34Å; L120-W128 HydrophobicContact CD2-CH2 4.21Å; L120-W128 HydrophobicContact CD2-CZ2 4.35Å
121C51.3Low57.2Low23 Ų2368.8 Ų68.816%0.15536%0.355CS..SBendtrans-169.2154.9168.5-94.10000107.8R78 S119 W128R78-C121 PolarHBondContact NH1-SG 2.97Å; S119-C121 PolarHBondContact O-N 2.87Å; C121-W128 HydrophobicContact CB-CZ2 4.33Å; C121-W128 VanDerWaalsContact CB-NE1 3.28Å
122D53.6Low57.6Low126 Ų12668.8 Ų68.867%0.67435%0.354SS*.  trans-61.4132.8163.8-96.6-42.7000109.7T124D122-T124 PolarHBondContact O-N 2.86Å
123P51.5Low58Low71 Ų7173 Ų7346%0.46137%0.369SS..THydrogen-bonded Turntrans-71.75.3-17730-36.8000114
124T54Low57.9Low109 Ų10975 Ų7567%0.66938%0.381SS*.THydrogen-bonded Turntrans-101.9-10.9-168.259.30000114.8D122D122-T124 PolarHBondContact O-N 2.86Å
125W54.6Low58.2Low191 Ų19178.6 Ų78.672%0.72340%0.398SS*.SBendtrans-133.8164.5-164.1-1015.3000116.2E127W125-E127 PolarHBondContact O-N 3.03Å
126N58.5Low58.5Low97 Ų9778.6 Ų78.652%0.51940%0.398SS..THydrogen-bonded Turntrans-67.8-0-165.4-63.9-61000115.4W128 K129 N130N126-W128 PolarHBondContact O-N 3.33Å; N126-K129 WeakPolarHBondContact O-CB 3.49Å; N126-K129 PolarHBondContact O-N 3.27Å; N126-N130 PolarHBondContact O-N 3.09Å
127E59.6Low59Low90 Ų9076.1 Ų76.142%0.42138%0.38SS..Hα-helixtrans-61.7-42.8178-67-173.7-148.400111.6R78 W125 K129 N130 F131R78-E127 IonicContact CZ-OE2 2.86Å; R78-E127 IonicContact NH1-OE2 3.95Å; R78-E127 PolarHBondContact NH1-OE2 2.92Å; R78-E127 IonicContact NH2-OE2 3.71Å; R78-E127 PolarHBondContact NH2-OE2 3.1Å; W125-E127 PolarHBondContact O-N 3.03Å; E127-K129 VanDerWaalsContact C-N 3.3Å; E127-K129 PolarHBondContact O-N 3.1Å; E127-N130 CarbonylContact O-C 3.55Å; E127-N130 PolarHBondContact O-N 3.02Å; E127-F131 WeakPolarHBondContact O-CB 3.37Å; E127-F131 PolarHBondContact O-N 2.79Å
128W58.7Low59.8Low10 Ų1073.1 Ų73.14%0.03838%0.375CS..Hα-helixtrans-58.6-39.1173.7-83110.6000113F82 I115 L120 C121 N126 N130 F131 L132 L155F82-W128 HydrophobicContact CD2-CH2 4.32Å; F82-W128 HydrophobicContact CD2-CZ3 4.1Å; F82-W128 HydrophobicContact CE2-CZ3 4.21Å; I115-W128 HydrophobicContact CB-CZ2 4.24Å; I115-W128 HydrophobicContact CD1-CH2 3.88Å; I115-W128 HydrophobicContact CD1-CZ2 3.7Å; I115-W128 HydrophobicContact CG1-CH2 4.07Å; I115-W128 HydrophobicContact CG1-CZ2 3.77Å; I115-W128 HydrophobicContact CG2-CZ2 3.49Å; I115-W128 VanDerWaalsContact CG2-CZ2 3.49Å; L120-W128 HydrophobicContact CB-CZ2 4.23Å; L120-W128 HydrophobicContact CD1-CH2 4.34Å; L120-W128 HydrophobicContact CD2-CH2 4.21Å; L120-W128 HydrophobicContact CD2-CZ2 4.35Å; C121-W128 HydrophobicContact CB-CZ2 4.33Å; C121-W128 VanDerWaalsContact CB-NE1 3.28Å; N126-W128 PolarHBondContact O-N 3.33Å; W128-N130 PolarHBondContact O-N 3.17Å; W128-F131 HydrophobicContact CE3-CD1 4.18Å; W128-F131 AromaticContact CZ3-CD1 3.89Å; W128-F131 HydrophobicContact CZ3-CD1 3.89Å; W128-F131 HydrophobicContact CZ3-CE1 4.2Å; W128-F131 PolarHBondContact O-N 3.05Å; W128-L132 HydrophobicContact CE3-CD1 3.92Å; W128-L132 HydrophobicContact CE3-CD2 4.26Å; W128-L132 HydrophobicContact CE3-CG 3.91Å; W128-L132 HydrophobicContact CZ3-CD2 4.24Å; W128-L132 HydrophobicContact CZ3-CG 4.39Å; W128-L132 WeakPolarHBondContact O-CB 3.49Å; W128-L132 WeakPolarHBondContact O-CG 3.45Å; W128-L132 PolarHBondContact O-N 2.84Å; W128-L155 HydrophobicContact CB-CD1 4.43Å; W128-L155 HydrophobicContact CD2-CD1 4.13Å; W128-L155 HydrophobicContact CE3-CD1 4.11Å; W128-L155 HydrophobicContact CG-CD1 4.27Å
129K60.2Low60.4Low100 Ų10075.9 Ų75.944%0.43538%0.382SS..Hα-helixtrans-65.9-24.1175.2-73.6178.8-179.51710113.3N126 E127 K133 L157N126-K129 WeakPolarHBondContact O-CB 3.49Å; N126-K129 PolarHBondContact O-N 3.27Å; E127-K129 VanDerWaalsContact C-N 3.3Å; E127-K129 PolarHBondContact O-N 3.1Å; K129-K133 WeakPolarHBondContact O-CB 3.15Å; K129-K133 WeakPolarHBondContact O-CD 3.48Å; K129-K133 WeakPolarHBondContact O-CG 3.31Å; K129-L157 HydrophobicContact CD-CD2 4.03Å; K129-L157 HydrophobicContact CG-CD1 4.13Å; K129-L157 HydrophobicContact CG-CD2 3.51Å; K129-L157 HydrophobicContact CG-CG 4.45Å
130N64.9Low61.1Low109 Ų10972.1 Ų72.158%0.58335%0.352SS*.Hα-helixtrans-94.5-32.8179.1-69.7-17.1000112N126 E127 W128N126-N130 PolarHBondContact O-N 3.09Å; E127-N130 CarbonylContact O-C 3.55Å; E127-N130 PolarHBondContact O-N 3.02Å; W128-N130 PolarHBondContact O-N 3.17Å
131F62.3Low62.2Low45 Ų4575 Ų7520%0.19736%0.364CS..Hα-helixtrans-74-44.4177.3179.1-104.6000112.5R78 F82 E127 W128 K133 V136R78-F131 HydrophobicContact CB-CE2 4.3Å; F82-F131 HydrophobicContact CB-CE1 3.88Å; F82-F131 HydrophobicContact CB-CZ 3.87Å; F82-F131 HydrophobicContact CD1-CE1 4.31Å; F82-F131 AromaticContact CD2-CE1 3.79Å; F82-F131 HydrophobicContact CD2-CE1 3.79Å; F82-F131 HydrophobicContact CE2-CE1 4.43Å; F82-F131 AromaticContact CG-CE1 3.72Å; F82-F131 HydrophobicContact CG-CE1 3.72Å; F82-F131 HydrophobicContact CG-CZ 4.1Å; E127-F131 WeakPolarHBondContact O-CB 3.37Å; E127-F131 PolarHBondContact O-N 2.79Å; W128-F131 HydrophobicContact CE3-CD1 4.18Å; W128-F131 AromaticContact CZ3-CD1 3.89Å; W128-F131 HydrophobicContact CZ3-CD1 3.89Å; W128-F131 HydrophobicContact CZ3-CE1 4.2Å; W128-F131 PolarHBondContact O-N 3.05Å; F131-K133 VanDerWaalsContact C-N 3.29Å; F131-K133 PolarHBondContact O-N 3.44Å; F131-V136 HydrophobicContact CD1-CG2 4.28Å; F131-V136 HydrophobicContact CE1-CG2 3.97Å; F131-V136 HydrophobicContact CE2-CG2 4.22Å; F131-V136 HydrophobicContact CZ-CG2 3.93Å; F131-V136 WeakPolarHBondContact O-CG2 3.33Å
132L64.7Low63.2Low0 Ų080 Ų800%039%0.394CS..Iπ-helixtrans-72.1-24178.1-64.9170.4000112.8F82 W128 L134 V136 V137 V151 Y152 L155 L157F82-L132 HydrophobicContact CE2-CD2 3.82Å; F82-L132 HydrophobicContact CZ-CD2 3.89Å; W128-L132 HydrophobicContact CE3-CD1 3.92Å; W128-L132 HydrophobicContact CE3-CD2 4.26Å; W128-L132 HydrophobicContact CE3-CG 3.91Å; W128-L132 HydrophobicContact CZ3-CD2 4.24Å; W128-L132 HydrophobicContact CZ3-CG 4.39Å; W128-L132 WeakPolarHBondContact O-CB 3.49Å; W128-L132 WeakPolarHBondContact O-CG 3.45Å; W128-L132 PolarHBondContact O-N 2.84Å; L132-L134 PolarHBondContact O-N 3.44Å; L132-V136 HydrophobicContact CD2-CG1 4.09Å; L132-V137 VanDerWaalsContact O-CG2 3.3Å; L132-V137 WeakPolarHBondContact O-CG2 3.45Å; L132-V151 HydrophobicContact CD1-CG1 4.24Å; L132-Y152 HydrophobicContact CB-CE2 3.75Å; L132-Y152 WeakPolarHBondContact CB-OH 3.22Å; L132-Y152 HydrophobicContact CD1-CD2 4.35Å; L132-Y152 HydrophobicContact CD1-CE2 4.1Å; L132-Y152 HydrophobicContact CG-CE2 4.38Å; L132-Y152 PolarHBondContact O-OH 3.13Å; L132-L155 HydrophobicContact CD1-CD1 3.77Å; L132-L157 HydrophobicContact CD1-CD1 3.98Å
133K67Low63.8Low120 Ų12077.5 Ų77.552%0.52239%0.391SS..Iπ-helixtrans-62124.2-178-105.5178.8-168.1173.90112.3K129 F131 E135K129-K133 WeakPolarHBondContact O-CB 3.15Å; K129-K133 WeakPolarHBondContact O-CD 3.48Å; K129-K133 WeakPolarHBondContact O-CG 3.31Å; F131-K133 VanDerWaalsContact C-N 3.29Å; F131-K133 PolarHBondContact O-N 3.44Å; K133-E135 VanDerWaalsContact C-N 3.26Å; K133-E135 PolarHBondContact O-N 2.75Å
134L59.5Low64.6Low122 Ų12275.6 Ų75.664%0.63938%0.375SS*.Iπ-helixtrans52.7-71176-72.2118.6000114.6L132 V136 V137 D138L132-L134 PolarHBondContact O-N 3.44Å; L134-V136 VanDerWaalsContact C-N 3.31Å; L134-V136 PolarHBondContact O-N 2.82Å; L134-V136 VanDerWaalsContact O-N 3.16Å; L134-V137 CarbonylContact O-C 3.59Å; L134-V137 PolarHBondContact O-N 2.76Å; L134-V137 VanDerWaalsContact O-N 3.14Å; L134-D138 VanDerWaalsContact O-CB 3.28Å; L134-D138 WeakPolarHBondContact O-CB 3.48Å; L134-D138 PolarHBondContact O-N 3.36Å
135E65Low65.6Low94 Ų9470.8 Ų70.844%0.43935%0.347SS..Iπ-helixtrans-60.7-36.1-167.7-159.2-168.4-129.400113.9R75 K133 R139R75-E135 IonicContact CZ-OE1 2.74Å; R75-E135 IonicContact CZ-OE2 3.89Å; R75-E135 IonicContact NH2-OE1 3.99Å; R75-E135 PolarHBondContact NH2-OE1 3.2Å; R75-E135 IonicContact NH2-OE2 3.75Å; R75-E135 PolarHBondContact NH2-OE2 2.9Å; K133-E135 VanDerWaalsContact C-N 3.26Å; K133-E135 PolarHBondContact O-N 2.75Å; E135-R139 WeakPolarHBondContact O-CB 3.18Å; E135-R139 VanDerWaalsContact O-CG 3.23Å; E135-R139 WeakPolarHBondContact O-CG 3.46Å; E135-R139 PolarHBondContact O-NE 3.23Å; E135-R139 IonicContact OE2-NH2 3.87Å; E135-R139 PolarHBondContact OE2-NH2 3.21Å; E135-R139 VanDerWaalsContact OE2-NH2 3.12Å
136V66Low66.5Low1 Ų167.2 Ų67.21%0.00633%0.333CS..Iπ-helixtrans-79.3-45.6174.1169.70000111.2F82 F131 L132 L134 R139 Y140 L148F82-V136 HydrophobicContact CD1-CG1 3.98Å; F82-V136 HydrophobicContact CE1-CG1 3.26Å; F82-V136 HydrophobicContact CZ-CG1 3.63Å; F131-V136 HydrophobicContact CD1-CG2 4.28Å; F131-V136 HydrophobicContact CE1-CG2 3.97Å; F131-V136 HydrophobicContact CE2-CG2 4.22Å; F131-V136 HydrophobicContact CZ-CG2 3.93Å; F131-V136 WeakPolarHBondContact O-CG2 3.33Å; L132-V136 HydrophobicContact CD2-CG1 4.09Å; L134-V136 VanDerWaalsContact C-N 3.31Å; L134-V136 PolarHBondContact O-N 2.82Å; L134-V136 VanDerWaalsContact O-N 3.16Å; V136-R139 PolarHBondContact O-N 3.27Å; V136-Y140 HydrophobicContact CG1-CD2 4.13Å; V136-Y140 WeakPolarHBondContact O-CB 3.45Å; V136-Y140 WeakPolarHBondContact O-CD2 3.35Å; V136-Y140 PolarHBondContact O-N 3.42Å; V136-L148 HydrophobicContact CG1-CD2 4.33Å
137V70.4Confident67Low2 Ų262.8 Ų62.81%0.01231%0.31CS..Hα-helixtrans-63-45.5179.3162.90000111.9L132 L134 R139 Y140 K141 L148 Y152 P160 L163L132-V137 VanDerWaalsContact O-CG2 3.3Å; L132-V137 WeakPolarHBondContact O-CG2 3.45Å; L134-V137 CarbonylContact O-C 3.59Å; L134-V137 PolarHBondContact O-N 2.76Å; L134-V137 VanDerWaalsContact O-N 3.14Å; V137-R139 VanDerWaalsContact C-N 3.33Å; V137-R139 PolarHBondContact O-N 3.19Å; V137-Y140 PolarHBondContact O-N 2.91Å; V137-K141 HydrophobicContact CG1-CB 4.42Å; V137-K141 HydrophobicContact CG1-CD 4.45Å; V137-K141 WeakPolarHBondContact O-CA 3.35Å; V137-K141 WeakPolarHBondContact O-CB 3.27Å; V137-K141 WeakPolarHBondContact O-CG 3.35Å; V137-K141 PolarHBondContact O-N 2.97Å; V137-L148 HydrophobicContact CG2-CD1 4.46Å; V137-Y152 HydrophobicContact CG2-CE2 3.69Å; V137-P160 HydrophobicContact CG2-CG 4.43Å; V137-L163 HydrophobicContact CG1-CD2 3.96Å; V137-L163 HydrophobicContact CG1-CG 4.37Å
138D72.6Confident67.7Low73 Ų7358.5 Ų58.539%0.3929%0.29SS..Hα-helixtrans-65.2-34.3178.5-72.8-44.8000112.9L134 K141L134-D138 VanDerWaalsContact O-CB 3.28Å; L134-D138 WeakPolarHBondContact O-CB 3.48Å; L134-D138 PolarHBondContact O-N 3.36Å; D138-K141 IonicContact OD1-NZ 2.66Å; D138-K141 PolarHBondContact OD1-NZ 2.82Å
139R67.7Low68.6Low98 Ų9859.1 Ų59.137%0.3729%0.293SS..Hα-helixtrans-75.5-30176-75.3-173.4-73.4141.7-10.9113.7E79 E135 V136 V137E79-R139 IonicContact OE1-CZ 3.87Å; E79-R139 IonicContact OE1-NH1 3.32Å; E79-R139 PolarHBondContact OE1-NH1 2.86Å; E79-R139 IonicContact OE1-NH2 3.12Å; E79-R139 IonicContact OE2-CZ 3.77Å; E79-R139 VanDerWaalsContact OE2-CZ 3.32Å; E79-R139 IonicContact OE2-NH1 2.66Å; E79-R139 PolarHBondContact OE2-NH1 2.83Å; E79-R139 IonicContact OE2-NH2 2.7Å; E79-R139 PolarHBondContact OE2-NH2 2.82Å; E135-R139 WeakPolarHBondContact O-CB 3.18Å; E135-R139 VanDerWaalsContact O-CG 3.23Å; E135-R139 WeakPolarHBondContact O-CG 3.46Å; E135-R139 PolarHBondContact O-NE 3.23Å; E135-R139 IonicContact OE2-NH2 3.87Å; E135-R139 PolarHBondContact OE2-NH2 3.21Å; E135-R139 VanDerWaalsContact OE2-NH2 3.12Å; V136-R139 PolarHBondContact O-N 3.27Å; V137-R139 VanDerWaalsContact C-N 3.33Å; V137-R139 PolarHBondContact O-N 3.19Å
140Y69.2Low69Low27 Ų2755.2 Ų55.211%0.10628%0.278CS..Hα-helixtrans-120.2-7.8-170.2-64.6-67.8000115.9E79 F82 Q83 L86 V136 V137 T142 A143 F144E79-Y140 PolarHBondContact OE1-OH 3.42Å; F82-Y140 HydrophobicContact CE1-CD2 4.32Å; Q83-Y140 WeakPolarHBondContact CG-OH 3.25Å; Q83-Y140 PolarHBondContact NE2-OH 3.43Å; L86-Y140 HydrophobicContact CD1-CD1 3.56Å; L86-Y140 HydrophobicContact CD1-CD2 3.92Å; L86-Y140 HydrophobicContact CD1-CE1 3.96Å; L86-Y140 HydrophobicContact CD1-CE2 4.29Å; L86-Y140 HydrophobicContact CD1-CG 3.55Å; V136-Y140 HydrophobicContact CG1-CD2 4.13Å; V136-Y140 WeakPolarHBondContact O-CB 3.45Å; V136-Y140 WeakPolarHBondContact O-CD2 3.35Å; V136-Y140 PolarHBondContact O-N 3.42Å; V137-Y140 PolarHBondContact O-N 2.91Å; Y140-T142 PolarHBondContact O-N 3.43Å; Y140-A143 PolarHBondContact O-N 2.97Å; Y140-F144 AromaticContact CD1-CD2 3.71Å; Y140-F144 HydrophobicContact CD1-CD2 3.71Å; Y140-F144 AromaticContact CD1-CE2 3.78Å; Y140-F144 HydrophobicContact CD1-CE2 3.78Å; Y140-F144 HydrophobicContact CE1-CE2 4.38Å; Y140-F144 HydrophobicContact CG-CD2 4.29Å; Y140-F144 WeakPolarHBondContact O-CA 3.35Å; Y140-F144 WeakPolarHBondContact O-CB 3.36Å; Y140-F144 PolarHBondContact O-N 3.3Å
141K75.8Confident69.3Low68 Ų6850.1 Ų50.130%0.29625%0.251SS..Hα-helixtrans-56.1-34.1178.861.1-168178.1-172.70114.3V137 D138 G145 L163V137-K141 HydrophobicContact CG1-CB 4.42Å; V137-K141 HydrophobicContact CG1-CD 4.45Å; V137-K141 WeakPolarHBondContact O-CA 3.35Å; V137-K141 WeakPolarHBondContact O-CB 3.27Å; V137-K141 WeakPolarHBondContact O-CG 3.35Å; V137-K141 PolarHBondContact O-N 2.97Å; D138-K141 IonicContact OD1-NZ 2.66Å; D138-K141 PolarHBondContact OD1-NZ 2.82Å; K141-G145 WeakPolarHBondContact O-CA 3.35Å; K141-G145 PolarHBondContact O-N 2.87Å; K141-L163 HydrophobicContact CB-CD2 3.94Å
142T72.2Confident70Confident128 Ų12848.5 Ų48.579%0.78524%0.244SC*.Hα-helixtrans-72.3-37.7-178.348.50000113.1Y140Y140-T142 PolarHBondContact O-N 3.43Å
143A65Low70.5Confident72 Ų7253.5 Ų53.560%0.59527%0.268SS*.Hα-helixtrans-103.4-18.5-176.300000113.5Y140Y140-A143 PolarHBondContact O-N 2.97Å
144F68.4Low70.5Confident32 Ų3249.6 Ų49.614%0.1425%0.253CS..Hα-helixtrans-136.320.5-173.4-57.7-90.6000112.7L86 T90 Y140 R146 T147 L148L86-F144 HydrophobicContact CB-CD1 3.95Å; L86-F144 HydrophobicContact CB-CE1 3.7Å; L86-F144 HydrophobicContact CB-CG 4.48Å; L86-F144 HydrophobicContact CB-CZ 4.06Å; L86-F144 HydrophobicContact CD1-CD1 4.38Å; L86-F144 HydrophobicContact CD1-CD2 3.96Å; L86-F144 HydrophobicContact CD1-CE2 4.13Å; L86-F144 HydrophobicContact CD1-CG 4.1Å; L86-F144 HydrophobicContact CD1-CZ 4.42Å; L86-F144 HydrophobicContact CD2-CB 4Å; L86-F144 HydrophobicContact CD2-CD1 3.88Å; L86-F144 HydrophobicContact CD2-CG 3.94Å; L86-F144 HydrophobicContact CG-CD1 4.3Å; L86-F144 HydrophobicContact CG-CE1 4.48Å; L86-F144 HydrophobicContact CG-CG 4.42Å; L86-F144 WeakPolarHBondContact O-CE1 3.4Å; T90-F144 HydrophobicContact CG2-CD1 3.57Å; T90-F144 HydrophobicContact CG2-CE1 3.4Å; Y140-F144 AromaticContact CD1-CD2 3.71Å; Y140-F144 HydrophobicContact CD1-CD2 3.71Å; Y140-F144 AromaticContact CD1-CE2 3.78Å; Y140-F144 HydrophobicContact CD1-CE2 3.78Å; Y140-F144 HydrophobicContact CE1-CE2 4.38Å; Y140-F144 HydrophobicContact CG-CD2 4.29Å; Y140-F144 WeakPolarHBondContact O-CA 3.35Å; Y140-F144 WeakPolarHBondContact O-CB 3.36Å; Y140-F144 PolarHBondContact O-N 3.3Å; F144-R146 PolarHBondContact O-N 3.3Å; F144-T147 CarbonylContact O-C 3.57Å; F144-T147 WeakPolarHBondContact O-CA 3.44Å; F144-T147 VanDerWaalsContact O-CB 3.3Å; F144-T147 WeakPolarHBondContact O-CB 3.49Å; F144-T147 PolarHBondContact O-N 3.46Å; F144-L148 HydrophobicContact CB-CG 4.5Å; F144-L148 PolarHBondContact O-N 3.37Å
145G76.3Confident70.9Confident7 Ų745.5 Ų45.57%0.07223%0.232CC..Hα-helixtrans-50.5-51-173.800000114.8K141 L148 F149K141-G145 WeakPolarHBondContact O-CA 3.35Å; K141-G145 PolarHBondContact O-N 2.87Å; G145-L148 PolarHBondContact O-N 3.12Å; G145-F149 PolarHBondContact O-N 2.91Å
146R73Confident71.3Confident116 Ų11644.3 Ų44.344%0.43825%0.245SC..Hα-helixtrans-61.7-42.9175.5-58178.8-166.1173.7-0.6111.8F144 L148 F149 C150 P164 L169 E173F144-R146 PolarHBondContact O-N 3.3Å; R146-L148 PolarHBondContact O-N 2.96Å; R146-F149 WeakPolarHBondContact O-CB 3.47Å; R146-F149 PolarHBondContact O-N 3.47Å; R146-C150 PolarHBondContact O-N 2.86Å; R146-C150 PolarHBondContact O-SG 3.45Å; R146-P164 HydrophobicContact CG-CG 4.22Å; R146-L169 HydrophobicContact CG-CD1 4.11Å; R146-L169 VanDerWaalsContact NE-CD1 3.26Å; R146-E173 IonicContact NH2-OE1 3.71Å; R146-E173 IonicContact NH2-OE2 3.57Å; R146-E173 PolarHBondContact NH2-OE2 3.38Å
147T69.2Low71.7Confident5 Ų545.3 Ų45.33%0.03125%0.25CC..Hα-helixtrans-59.3-45.4175.6-69.50000111.9L86 H89 L93 F144 F149 C150 V151L86-T147 HydrophobicContact CD2-CG2 3.76Å; H89-T147 HydrophobicContact CB-CG2 4.04Å; H89-T147 PolarHBondContact CE1-OG1 2.95Å; H89-T147 WeakPolarHBondContact ND1-CG2 3.48Å; H89-T147 PolarHBondContact ND1-OG1 2.93Å; L93-T147 WeakPolarHBondContact CD1-OG1 3.32Å; F144-T147 CarbonylContact O-C 3.57Å; F144-T147 WeakPolarHBondContact O-CA 3.44Å; F144-T147 VanDerWaalsContact O-CB 3.3Å; F144-T147 WeakPolarHBondContact O-CB 3.49Å; F144-T147 PolarHBondContact O-N 3.46Å; T147-F149 VanDerWaalsContact C-N 3.35Å; T147-C150 PolarHBondContact O-N 3.26Å; T147-V151 HydrophobicContact CG2-CG2 4.5Å; T147-V151 VanDerWaalsContact O-CG2 3.25Å; T147-V151 WeakPolarHBondContact O-CG2 3.23Å; T147-V151 PolarHBondContact O-N 3.44Å
148L73.2Confident72.1Confident0 Ų053.5 Ų53.50%029%0.288CS..Hα-helixtrans-64.2-40.3176.1-71167.4000111.3F82 V136 V137 F144 G145 R146 V151 Y152 L163F82-L148 HydrophobicContact CE1-CD2 4.46Å; F82-L148 HydrophobicContact CZ-CD2 3.89Å; V136-L148 HydrophobicContact CG1-CD2 4.33Å; V137-L148 HydrophobicContact CG2-CD1 4.46Å; F144-L148 HydrophobicContact CB-CG 4.5Å; F144-L148 PolarHBondContact O-N 3.37Å; G145-L148 PolarHBondContact O-N 3.12Å; R146-L148 PolarHBondContact O-N 2.96Å; L148-V151 PolarHBondContact O-N 3.15Å; L148-Y152 WeakPolarHBondContact O-CD2 3.49Å; L148-Y152 PolarHBondContact O-N 3.34Å; L148-L163 HydrophobicContact CB-CD1 3.82Å; L148-L163 HydrophobicContact CB-CD2 3.81Å; L148-L163 HydrophobicContact CB-CG 4.5Å; L148-L163 HydrophobicContact CD1-CD2 3.92Å
149F77.5Confident72.4Confident22 Ų2251.3 Ų51.310%0.09628%0.278CS..Hα-helixtrans-59.2-49.4176.2-174.3-93.9000111.2G145 R146 T147 V151 Y152 M153 P159 L163 N165 D166G145-F149 PolarHBondContact O-N 2.91Å; R146-F149 WeakPolarHBondContact O-CB 3.47Å; R146-F149 PolarHBondContact O-N 3.47Å; T147-F149 VanDerWaalsContact C-N 3.35Å; F149-V151 PolarHBondContact O-N 3.29Å; F149-Y152 PolarHBondContact O-N 3.02Å; F149-M153 HydrophobicContact CD1-CG 4.21Å; F149-M153 HydrophobicContact CE1-CG 3.89Å; F149-M153 HydrophobicContact CZ-CG 4.16Å; F149-M153 HydrophobicContact CZ-SD 4.42Å; F149-M153 WeakPolarHBondContact O-CG 3.37Å; F149-M153 PolarHBondContact O-N 3.14Å; F149-P159 HydrophobicContact CD2-CB 3.62Å; F149-P159 HydrophobicContact CD2-CG 3.81Å; F149-P159 HydrophobicContact CE2-CB 3.78Å; F149-P159 HydrophobicContact CE2-CG 3.65Å; F149-P159 HydrophobicContact CZ-CG 4.31Å; F149-L163 HydrophobicContact CB-CB 4.45Å; F149-L163 HydrophobicContact CD2-CB 4.37Å; F149-N165 HydrophobicContact CE2-CB 4.48Å; F149-N165 WeakPolarHBondContact CE2-OD1 3.31Å; F149-D166 WeakPolarHBondContact CD1-OD2 3.29Å; F149-D166 WeakPolarHBondContact CE1-OD2 3.42Å
150C69.7Low72.8Confident18 Ų1848.6 Ų48.612%0.12227%0.273CS..Hα-helixtrans-57.4-47.2172.7-59.30000112R146 T147 Y152 M153 N154R146-C150 PolarHBondContact O-N 2.86Å; R146-C150 PolarHBondContact O-SG 3.45Å; T147-C150 PolarHBondContact O-N 3.26Å; C150-Y152 VanDerWaalsContact C-N 3.35Å; C150-Y152 PolarHBondContact O-N 3.41Å; C150-M153 PolarHBondContact O-N 3.29Å; C150-N154 WeakPolarHBondContact O-CB 3.42Å; C150-N154 PolarHBondContact O-N 2.97Å; C150-N154 PolarHBondContact O-ND2 2.9Å
151V70.3Confident73.2Confident3 Ų355.9 Ų55.92%0.01831%0.308CS..Hα-helixtrans-59-43.8178.4168.50000111.5I111 L132 T147 L148 F149 L155I111-V151 HydrophobicContact CD1-CG2 4.11Å; I111-V151 HydrophobicContact CG2-CG2 4.25Å; L132-V151 HydrophobicContact CD1-CG1 4.24Å; T147-V151 HydrophobicContact CG2-CG2 4.5Å; T147-V151 VanDerWaalsContact O-CG2 3.25Å; T147-V151 WeakPolarHBondContact O-CG2 3.23Å; T147-V151 PolarHBondContact O-N 3.44Å; L148-V151 PolarHBondContact O-N 3.15Å; F149-V151 PolarHBondContact O-N 3.29Å; V151-L155 HydrophobicContact CG1-CD1 3.79Å; V151-L155 HydrophobicContact CG1-CG 4.47Å; V151-L155 WeakPolarHBondContact O-CB 3.38Å; V151-L155 VanDerWaalsContact O-CG 3.26Å; V151-L155 WeakPolarHBondContact O-CG 3.49Å; V151-L155 PolarHBondContact O-N 2.95Å
152Y76.7Confident73.3Confident11 Ų1155.8 Ų55.84%0.04332%0.315CS..Hα-helixtrans-62.4-52.4176.4-95.9-95.3000111.6L132 V137 L148 F149 C150 N154 L155 G156 L157 E158 P159 P160 L163L132-Y152 HydrophobicContact CB-CE2 3.75Å; L132-Y152 WeakPolarHBondContact CB-OH 3.22Å; L132-Y152 HydrophobicContact CD1-CD2 4.35Å; L132-Y152 HydrophobicContact CD1-CE2 4.1Å; L132-Y152 HydrophobicContact CG-CE2 4.38Å; L132-Y152 PolarHBondContact O-OH 3.13Å; V137-Y152 HydrophobicContact CG2-CE2 3.69Å; L148-Y152 WeakPolarHBondContact O-CD2 3.49Å; L148-Y152 PolarHBondContact O-N 3.34Å; F149-Y152 PolarHBondContact O-N 3.02Å; C150-Y152 VanDerWaalsContact C-N 3.35Å; C150-Y152 PolarHBondContact O-N 3.41Å; Y152-N154 VanDerWaalsContact C-N 3.29Å; Y152-N154 PolarHBondContact O-N 3.49Å; Y152-L155 PolarHBondContact O-N 3.44Å; Y152-G156 PolarHBondContact O-N 2.82Å; Y152-L157 CarbonylContact C-O 3.59Å; Y152-L157 HydrophobicContact CD1-CB 3.52Å; Y152-L157 HydrophobicContact CD1-CD1 4.18Å; Y152-L157 HydrophobicContact CD1-CG 4.49Å; Y152-L157 HydrophobicContact CE1-CB 4.2Å; Y152-L157 HydrophobicContact CE1-CD1 4.32Å; Y152-L157 HydrophobicContact CG-CB 4.32Å; Y152-L157 WeakPolarHBondContact O-CA 3.41Å; Y152-L157 WeakPolarHBondContact O-CB 3.31Å; Y152-L157 PolarHBondContact O-N 2.66Å; Y152-E158 VanDerWaalsContact CD1-O 3.26Å; Y152-E158 WeakPolarHBondContact CD1-O 3.34Å; Y152-P159 HydrophobicContact CG-CB 4.44Å; Y152-P160 HydrophobicContact CE1-CG 4.11Å; Y152-P160 HydrophobicContact CE2-CG 4.38Å; Y152-L163 HydrophobicContact CD2-CD1 3.98Å; Y152-L163 HydrophobicContact CE2-CD1 4.29Å
153M76.5Confident73.5Confident105 Ų10550 Ų5052%0.51728%0.279SS..Hα-helixtrans-56.8-43.3179.4-72.9-66.1-7000112F149 C150 G156 P159F149-M153 HydrophobicContact CD1-CG 4.21Å; F149-M153 HydrophobicContact CE1-CG 3.89Å; F149-M153 HydrophobicContact CZ-CG 4.16Å; F149-M153 HydrophobicContact CZ-SD 4.42Å; F149-M153 WeakPolarHBondContact O-CG 3.37Å; F149-M153 PolarHBondContact O-N 3.14Å; C150-M153 PolarHBondContact O-N 3.29Å; M153-G156 PolarHBondContact O-N 3.24Å; M153-G156 VanDerWaalsContact O-N 3.11Å; M153-P159 HydrophobicContact CG-CG 3.92Å; M153-P159 HydrophobicContact SD-CG 3.82Å
154N67.4Low73.8Confident37 Ų3748.7 Ų48.720%0.19827%0.265CS..Hα-helixtrans-77.1-27-176.1-68.7-37000113.6G108 C150 Y152 G156G108-N154 VanDerWaalsContact CA-CB 3.44Å; G108-N154 WeakPolarHBondContact CA-ND2 3.43Å; C150-N154 WeakPolarHBondContact O-CB 3.42Å; C150-N154 PolarHBondContact O-N 2.97Å; C150-N154 PolarHBondContact O-ND2 2.9Å; Y152-N154 VanDerWaalsContact C-N 3.29Å; Y152-N154 PolarHBondContact O-N 3.49Å; N154-G156 PolarHBondContact O-N 3.05Å
155L66.5Low73.5Confident36 Ų3649 Ų4919%0.18827%0.268CS..THydrogen-bonded Turntrans-78.14.6167.1-68.9172.9000113.1I115 W128 L132 V151 Y152 L157I115-L155 HydrophobicContact CD1-CD2 4.26Å; W128-L155 HydrophobicContact CB-CD1 4.43Å; W128-L155 HydrophobicContact CD2-CD1 4.13Å; W128-L155 HydrophobicContact CE3-CD1 4.11Å; W128-L155 HydrophobicContact CG-CD1 4.27Å; L132-L155 HydrophobicContact CD1-CD1 3.77Å; V151-L155 HydrophobicContact CG1-CD1 3.79Å; V151-L155 HydrophobicContact CG1-CG 4.47Å; V151-L155 WeakPolarHBondContact O-CB 3.38Å; V151-L155 VanDerWaalsContact O-CG 3.26Å; V151-L155 WeakPolarHBondContact O-CG 3.49Å; V151-L155 PolarHBondContact O-N 2.95Å; Y152-L155 PolarHBondContact O-N 3.44Å; L155-L157 HydrophobicContact CB-CD1 3.97Å; L155-L157 HydrophobicContact CB-CG 3.75Å; L155-L157 HydrophobicContact CD1-CD1 4.24Å; L155-L157 PolarHBondContact O-N 2.75Å
156G73.2Confident72.7Confident70 Ų7051.7 Ų51.772%0.72228%0.281SS*.THydrogen-bonded Turntrans66.226.2-176.800000113.4Y152 M153 N154Y152-G156 PolarHBondContact O-N 2.82Å; M153-G156 PolarHBondContact O-N 3.24Å; M153-G156 VanDerWaalsContact O-N 3.11Å; N154-G156 PolarHBondContact O-N 3.05Å
157L75.2Confident71.8Confident21 Ų2151.6 Ų51.611%0.1129%0.293CS..PPolyproline II helixtrans-100.4150.2-179-53.4-174.5000110.4K129 L132 Y152 L155 P159K129-L157 HydrophobicContact CD-CD2 4.03Å; K129-L157 HydrophobicContact CG-CD1 4.13Å; K129-L157 HydrophobicContact CG-CD2 3.51Å; K129-L157 HydrophobicContact CG-CG 4.45Å; L132-L157 HydrophobicContact CD1-CD1 3.98Å; Y152-L157 CarbonylContact C-O 3.59Å; Y152-L157 HydrophobicContact CD1-CB 3.52Å; Y152-L157 HydrophobicContact CD1-CD1 4.18Å; Y152-L157 HydrophobicContact CD1-CG 4.49Å; Y152-L157 HydrophobicContact CE1-CB 4.2Å; Y152-L157 HydrophobicContact CE1-CD1 4.32Å; Y152-L157 HydrophobicContact CG-CB 4.32Å; Y152-L157 WeakPolarHBondContact O-CA 3.41Å; Y152-L157 WeakPolarHBondContact O-CB 3.31Å; Y152-L157 PolarHBondContact O-N 2.66Å; L155-L157 HydrophobicContact CB-CD1 3.97Å; L155-L157 HydrophobicContact CB-CG 3.75Å; L155-L157 HydrophobicContact CD1-CD1 4.24Å; L155-L157 PolarHBondContact O-N 2.75Å; L157-P159 WeakPolarHBondContact O-CD 3.37Å
158E78.3Confident70.9Confident175 Ų17556.6 Ų56.682%0.81832%0.316SS*.PPolyproline II helixtrans-76117.9171.1-172.5159.9-139.900109.2Y152Y152-E158 VanDerWaalsContact CD1-O 3.26Å; Y152-E158 WeakPolarHBondContact CD1-O 3.34Å
159P78.9Confident69.5Low27 Ų2758.5 Ų58.518%0.17533%0.326CS..PPolyproline II helixtrans-64.6137178-18.431.4000110.9F149 Y152 M153 L157 L163F149-P159 HydrophobicContact CD2-CB 3.62Å; F149-P159 HydrophobicContact CD2-CG 3.81Å; F149-P159 HydrophobicContact CE2-CB 3.78Å; F149-P159 HydrophobicContact CE2-CG 3.65Å; F149-P159 HydrophobicContact CZ-CG 4.31Å; Y152-P159 HydrophobicContact CG-CB 4.44Å; M153-P159 HydrophobicContact CG-CG 3.92Å; M153-P159 HydrophobicContact SD-CG 3.82Å; L157-P159 WeakPolarHBondContact O-CD 3.37Å; P159-L163 HydrophobicContact CB-CD1 4.36Å
160P77.5Confident67.6Low41 Ų4163.1 Ų63.127%0.26636%0.357SS..PPolyproline II helixtrans-59.9140.8171-25.135.3000111.4V137 Y152 C162 L163V137-P160 HydrophobicContact CG2-CG 4.43Å; Y152-P160 HydrophobicContact CE1-CG 4.11Å; Y152-P160 HydrophobicContact CE2-CG 4.38Å; P160-C162 PolarHBondContact O-N 3.06Å; P160-L163 PolarHBondContact O-N 2.7Å
161E76.5Confident66Low180 Ų18068.3 Ų68.384%0.84139%0.388SS*.THydrogen-bonded Turntrans-61.6-7.5-178.8-58.7-174138.400114.2
162C77Confident64.1Low66 Ų6671.8 Ų71.845%0.44641%0.412SS..THydrogen-bonded Turntrans-91.77.8173.467.10000114.5P160P160-C162 PolarHBondContact O-N 3.06Å
163L77.2Confident62Low6 Ų677.3 Ų77.33%0.03144%0.438CS..SBendtrans-98.5140.7167.8-64.6-179.7000109.8V137 K141 L148 F149 Y152 P159 P160 N165V137-L163 HydrophobicContact CG1-CD2 3.96Å; V137-L163 HydrophobicContact CG1-CG 4.37Å; K141-L163 HydrophobicContact CB-CD2 3.94Å; L148-L163 HydrophobicContact CB-CD1 3.82Å; L148-L163 HydrophobicContact CB-CD2 3.81Å; L148-L163 HydrophobicContact CB-CG 4.5Å; L148-L163 HydrophobicContact CD1-CD2 3.92Å; F149-L163 HydrophobicContact CB-CB 4.45Å; F149-L163 HydrophobicContact CD2-CB 4.37Å; Y152-L163 HydrophobicContact CD2-CD1 3.98Å; Y152-L163 HydrophobicContact CE2-CD1 4.29Å; P159-L163 HydrophobicContact CB-CD1 4.36Å; P160-L163 PolarHBondContact O-N 2.7Å; L163-N165 PolarHBondContact O-N 2.65Å
164P71Confident59.9Low45 Ų4578.3 Ų78.329%0.29246%0.455SS..PPolyproline II helixtrans-66.6124.5178.228.1-34000110.4R146 L169R146-P164 HydrophobicContact CG-CG 4.22Å; P164-L169 HydrophobicContact CB-CD1 4.36Å
165N62.9Low58.1Low37 Ų3787.6 Ų87.620%0.19849%0.488CS..PPolyproline II helixtrans-73.5135.7172.7-63.6-67.1000109.9F149 L163 T167 E168F149-N165 HydrophobicContact CE2-CB 4.48Å; F149-N165 WeakPolarHBondContact CE2-OD1 3.31Å; L163-N165 PolarHBondContact O-N 2.65Å; N165-T167 PolarHBondContact O-N 3.28Å; N165-E168 HydrophobicContact CB-CG 4.36Å; N165-E168 PolarHBondContact ND2-OE1 2.91Å; N165-E168 PolarHBondContact O-N 3.48Å
166D58.7Low56.4Low64 Ų6491.2 Ų91.234%0.34251%0.512SS..Hα-helixtrans-58.6-24.3176.3-57.1-51.1000112.9F149F149-D166 WeakPolarHBondContact CD1-OD2 3.29Å; F149-D166 WeakPolarHBondContact CE1-OD2 3.42Å
167T54.7Low54.4Low115 Ų11596.6 Ų96.671%0.70652%0.523SS*.Hα-helixtrans-74.2-16.4174.8320000115.7N165N165-T167 PolarHBondContact O-N 3.28Å
168E49.6Very low52.4Low110 Ų110103.8 Ų103.851%0.51456%0.556SS.*Hα-helixtrans-87.9-19.8179-75.5166.2-140.300112.4N165 S172N165-E168 HydrophobicContact CB-CG 4.36Å; N165-E168 PolarHBondContact ND2-OE1 2.91Å; N165-E168 PolarHBondContact O-N 3.48Å; E168-S172 WeakPolarHBondContact O-CB 3.32Å; E168-S172 PolarHBondContact O-OG 3.04Å
169L44.3Very low50.4Low39 Ų39104 Ų10420%0.20456%0.557CS.*Hα-helixtrans-87.6-26.4-171.3-70.4163.6000113.6R146 P164 T171 E173R146-L169 HydrophobicContact CG-CD1 4.11Å; R146-L169 VanDerWaalsContact NE-CD1 3.26Å; P164-L169 HydrophobicContact CB-CD1 4.36Å; L169-T171 PolarHBondContact O-N 3.46Å; L169-T171 VanDerWaalsContact O-N 3.16Å; L169-E173 HydrophobicContact CD2-CB 4.4Å; L169-E173 HydrophobicContact CD2-CG 3.75Å; L169-E173 VanDerWaalsContact CD2-OE1 3.3Å; L169-E173 WeakPolarHBondContact CD2-OE1 3.22Å; L169-E173 WeakPolarHBondContact CD2-OE2 3.36Å
170T38.6Very low48.2Very low120 Ų120109.9 Ų109.974%0.73659%0.587SS**THydrogen-bonded Turntrans-75.86.1176.9500000114.1
171T36Very low46.5Very low126 Ų126114.1 Ų114.177%0.77361%0.611SS**THydrogen-bonded Turntrans-140.8-4.2176.1-390000113.9L169L169-T171 PolarHBondContact O-N 3.46Å; L169-T171 VanDerWaalsContact O-N 3.16Å
172S30.2Very low44.6Very low76 Ų76113.4 Ų113.453%0.53161%0.614SS.*THydrogen-bonded Turntrans-132.8-15.4-164.5-380000117.2E168 S174E168-S172 WeakPolarHBondContact O-CB 3.32Å; E168-S172 PolarHBondContact O-OG 3.04Å; S172-S174 PolarHBondContact O-N 3.05Å
173E33Very low42.9Very low128 Ų128118.6 Ų118.660%0.59863%0.631SS**  trans-94.762.3175-85.1-174.8-178.100112.1R146 L169R146-E173 IonicContact NH2-OE1 3.71Å; R146-E173 IonicContact NH2-OE2 3.57Å; R146-E173 PolarHBondContact NH2-OE2 3.38Å; L169-E173 HydrophobicContact CD2-CB 4.4Å; L169-E173 HydrophobicContact CD2-CG 3.75Å; L169-E173 VanDerWaalsContact CD2-OE1 3.3Å; L169-E173 WeakPolarHBondContact CD2-OE1 3.22Å; L169-E173 WeakPolarHBondContact CD2-OE2 3.36Å
174S30.6Very low41.3Very low125 Ų125124.5 Ų124.587%0.87467%0.667SS**  trans-135.340.4162.1-63.50000110.5S172S172-S174 PolarHBondContact O-N 3.05Å
175R31.1Very low39.6Very low233 Ų233130.4 Ų130.488%0.87970%0.697SS**  trans-111.2113.4167-73.4-171.8172.6-162.6-4.3108.7
176T31.1Very low38.2Very low112 Ų112131.9 Ų131.969%0.68772%0.72SS**  trans-53.4135.7168.238.90000110.1E178T176-E178 PolarHBondContact O-N 3.5Å; T176-E178 PolarHBondContact OG1-O 2.83Å
177L31Very low37.2Very low182 Ų182135.6 Ų135.695%0.95375%0.745SS**SBendtrans-80.737165.2-16396.1000110.9
178E32.8Very low36.3Very low172 Ų172137.8 Ų137.880%0.80475%0.751SS**  trans-148.495.4174.8-73.9-165.8157.800107.2T176T176-E178 PolarHBondContact O-N 3.5Å; T176-E178 PolarHBondContact OG1-O 2.83Å
179E35.8Very low35.7Very low181 Ų181138.3 Ų138.385%0.84677%0.766SS**  trans-148.8140.5139.5-157161.5-167.300110.2
180N32.3Very low35.2Very low150 Ų150141.6 Ų141.680%0.80279%0.793SS**  trans-83.8169.4-177.7-55.4-86.6000110.6
181V42Very low34.9Very low129 Ų129141.4 Ų141.478%0.78280%0.796SS**  176.7127116150.80000108.3
182D35.7Very low34.9Very low166 Ų166140.8 Ų140.889%0.88880%0.795SS**  trans-77.1132.8164.6-78.5-58.4000109.7
183E41.4Very low35.1Very low175 Ų175148.3 Ų148.382%0.81881%0.811SS**  trans-144.194.4155.3-161.4161.4-154.400112.9
184V44.3Very low35.2Very low130 Ų130147.6 Ų147.679%0.78882%0.818SS**  trans43.1132.1135.1-169.90000120.6G186V184-G186 PolarHBondContact O-N 2.95Å
185D36.3Very low35.4Very low169 Ų169145.7 Ų145.790%0.90480%0.804SS**  trans-48.7128.7166.8-78.3-64.4000114.2
186G33.1Very low35.5Very low68 Ų68141.9 Ų141.970%0.70180%0.801SS**  trans-168.188.1179.500000117.8V184V184-G186 PolarHBondContact O-N 2.95Å
187V38.2Very low35.8Very low141 Ų141143.7 Ų143.786%0.85581%0.812SS**  trans49.7110.1146.9-171.80000119.6
188I35Very low35.9Very low161 Ų161143.8 Ų143.883%0.82681%0.81SS**  trans-26.8124.9155.9-55.3163.2000115.1
189S36.6Very low36Very low121 Ų121144.6 Ų144.685%0.84681%0.814SS**  trans-159.3156.1149.9-85.60000111.8
190S35Very low36Very low108 Ų108141.6 Ų141.676%0.75581%0.812SS**  trans-129.2131.7-157.252.10000115.9
191S30.4Very low36Very low116 Ų116139.4 Ų139.481%0.81181%0.809SS**  trans66.1169.7153.6-131.80000117.7
192P37.6Very low36Very low114 Ų114138.8 Ų138.874%0.7481%0.807SS**  cis-122.1174.8-34.516.36.9000114
193R33.1Very low36.3Very low234 Ų234136.2 Ų136.288%0.88380%0.798SS**  trans-61.2141.6177.1-175-167.8-165.1-174.27.2115.9
194P35.3Very low36.3Very low112 Ų112132.4 Ų132.473%0.72779%0.788SS**  -141.4160.8123.738-26.2000111.8
195S34.5Very low36.2Very low85 Ų85135.2 Ų135.259%0.59479%0.785SS**  cis172.2147.7-20.353.80000105.8
196N33Very low36.6Very low153 Ų153133.2 Ų133.282%0.81877%0.774SS**  trans64.796.7163.1-56-14.1000120.7
197V37.5Very low37.1Very low150 Ų150133.5 Ų133.591%0.90976%0.762SS**  -134.7150.1128.3-175.90000108.1
198M34.3Very low37.2Very low184 Ų184132.7 Ų132.791%0.90675%0.752SS**PPolyproline II helixtrans-52.6135.7-163.5-61.5168.665.400116.6
199Q33.8Very low37.4Very low190 Ų190135.3 Ų135.389%0.88875%0.752SS**PPolyproline II helixtrans-89.7142157.7-68.3177.8-58.700110.3
200S36Very low37.8Very low117 Ų117137.6 Ų137.682%0.81875%0.749SS**PPolyproline II helixtrans-83126.3159.943.60000109.7
201S32.3Very low37.9Very low105 Ų105136.4 Ų136.473%0.73474%0.741SS**PPolyproline II helixtrans-70134.4-178.7-173.20000111.3V203S201-V203 PolarHBondContact O-N 3.4Å
202P42.2Very low38.6Very low115 Ų115137.1 Ų137.175%0.74774%0.735SS**PPolyproline II helixtrans-67.2117.5176.627.7-33.7000110.5
203V42Very low38.8Very low112 Ų112137.4 Ų137.468%0.67974%0.737SS**PPolyproline II helixtrans-71.1126.8177.1176.70000109.5S201 R205 T207S201-V203 PolarHBondContact O-N 3.4Å; V203-R205 PolarHBondContact O-N 3.26Å; V203-T207 WeakPolarHBondContact CG1-OG1 3.48Å
204P42.4Very low38.9Very low96 Ų96136.2 Ų136.262%0.62373%0.732SS**PPolyproline II helixtrans-59.8134.1-177.4-26.335.1000113.4N206 T207P204-N206 PolarHBondContact O-N 3.48Å; P204-T207 PolarHBondContact O-N 3.3Å; P204-T207 PolarHBondContact O-OG1 3.3Å
205R42.9Very low38.8Very low189 Ų189134.9 Ų134.971%0.71373%0.731SS**Hα-helixtrans-49.5-18.3-176.2-87.2177.5164.8145.3-5.4115.8V203V203-R205 PolarHBondContact O-N 3.26Å
206N43.3Very low38.8Very low126 Ų126138.2 Ų138.267%0.67474%0.741SS**Hα-helixtrans-68-30.6176.4-75.8-13.1000114.5P204P204-N206 PolarHBondContact O-N 3.48Å
207T43.3Very low39Very low74 Ų74140 Ų14045%0.45474%0.742SS.*Hα-helixtrans-78.8-31.917956.10000112.3V203 P204 R209 Q210 S211V203-T207 WeakPolarHBondContact CG1-OG1 3.48Å; P204-T207 PolarHBondContact O-N 3.3Å; P204-T207 PolarHBondContact O-OG1 3.3Å; T207-R209 PolarHBondContact O-N 2.76Å; T207-Q210 CarbonylContact O-C 3.58Å; T207-Q210 WeakPolarHBondContact O-CA 3.5Å; T207-Q210 WeakPolarHBondContact O-CB 3.41Å; T207-Q210 PolarHBondContact O-N 2.95Å; T207-S211 PolarHBondContact O-N 3.47Å; T207-S211 VanDerWaalsContact O-N 3.09Å
208L40.5Very low38.9Very low125 Ų125138.7 Ų138.765%0.65474%0.735SS**Hα-helixtrans-63.6-30.9175.3-153.879000111.8Q210 S211L208-Q210 PolarHBondContact O-N 3.22Å; L208-S211 WeakPolarHBondContact CA-OG 3.31Å; L208-S211 PolarHBondContact O-N 2.88Å; L208-S211 PolarHBondContact O-OG 3.45Å; L208-S211 VanDerWaalsContact O-OG 3.13Å
209R39.4Very low39Very low216 Ų216137.3 Ų137.382%0.81573%0.731SS**THydrogen-bonded Turntrans-70.3-8.3170.2-74.9-176.7170.1-114.61114.2T207T207-R209 PolarHBondContact O-N 2.76Å
210Q44.7Very low39.2Very low169 Ų169133.7 Ų133.779%0.7973%0.726SS**THydrogen-bonded Turntrans-108.8-14.6174.1-61.9-169.45.300113.6T207 L208T207-Q210 CarbonylContact O-C 3.58Å; T207-Q210 WeakPolarHBondContact O-CA 3.5Å; T207-Q210 WeakPolarHBondContact O-CB 3.41Å; T207-Q210 PolarHBondContact O-N 2.95Å; L208-Q210 PolarHBondContact O-N 3.22Å
211S37.6Very low39.4Very low82 Ų82135.7 Ų135.757%0.57373%0.726SS**SBendtrans-86.3-0.3178.659.90000114.9T207 L208T207-S211 PolarHBondContact O-N 3.47Å; T207-S211 VanDerWaalsContact O-N 3.09Å; L208-S211 WeakPolarHBondContact CA-OG 3.31Å; L208-S211 PolarHBondContact O-N 2.88Å; L208-S211 PolarHBondContact O-OG 3.45Å; L208-S211 VanDerWaalsContact O-OG 3.13Å
212L45.6Very low39.6Very low131 Ų131139 Ų13969%0.68673%0.73SS**SBendtrans-76.5133.5170.1-80166.6000110.6R214L212-R214 PolarHBondContact O-N 3.49Å
213P42.3Very low39.3Very low121 Ų121140.5 Ų140.579%0.78673%0.73SS**  trans-62.6101.9-173.7-26.536000115A215P213-A215 PolarHBondContact O-N 2.71Å
214R34Very low39Very low209 Ų209140.4 Ų140.479%0.78974%0.735SS**  trans-70.466.7165.2-86.9-175.5158.6-157.9-1.7112.3L212 L216 F217L212-R214 PolarHBondContact O-N 3.49Å; R214-L216 PolarHBondContact O-N 2.84Å; R214-F217 PolarHBondContact O-N 3.23Å
215A34Very low38.6Very low84 Ų84143 Ų14369%0.69474%0.742SS**THydrogen-bonded Turntrans-69.5117.3156.800000107.7P213P213-A215 PolarHBondContact O-N 2.71Å
216L35Very low38.2Very low155 Ų155139.3 Ų139.381%0.81275%0.745SS**THydrogen-bonded Turncis-142.174.811.6-66.7168000112.4R214R214-L216 PolarHBondContact O-N 2.84Å
217F35.4Very low37.9Very low189 Ų189139.1 Ų139.183%0.82975%0.754SS**  trans-148.9119.5161.2-72.5-68.7000110.1R214R214-F217 PolarHBondContact O-N 3.23Å
218T36.9Very low37.5Very low124 Ų124143 Ų14376%0.76177%0.772SS**  trans-135.3121.1177.153.30000110.2
219D36.2Very low37.2Very low154 Ų154146.1 Ų146.182%0.82478%0.784SS**  trans-65.6150.9178.4-52.2-81.1000112.1
220S37Very low37.3Very low114 Ų114142.2 Ų142.280%0.79778%0.784SS**  trans-113.894.8173.5-690000110.1Q222S220-Q222 PolarHBondContact O-N 3.43Å
221I41.4Very low37Very low160 Ų160138.8 Ų138.882%0.82178%0.776SS**PPolyproline II helixtrans-69.8116.6170-60.8174000108
222Q36.7Very low36.8Very low175 Ų175142.1 Ų142.182%0.81879%0.787SS**PPolyproline II helixtrans-83121.4172.5-73.3-169.6-16.200110.4S220S220-Q222 PolarHBondContact O-N 3.43Å
223I34.2Very low36.3Very low145 Ų145141 Ų14174%0.74479%0.788SS**PPolyproline II helixtrans-88.2118.1168.2-59.4171.6000107.7L225I223-L225 HydrophobicContact CG2-CD1 4.29Å
224S36.1Very low36.1Very low110 Ų110142.7 Ų142.777%0.76979%0.79SS**PPolyproline II helixtrans-100.4133.5167.2-61.80000109.6
225L33.6Very low36.3Very low151 Ų151138.3 Ų138.379%0.79179%0.786SS**PPolyproline II helixtrans-89.3163-176.4-83.779.1000112.8I223I223-L225 HydrophobicContact CG2-CD1 4.29Å
226S34.5Very low36.5Very low111 Ų111138.9 Ų138.978%0.77679%0.785SS**  trans71.2102.6158.262.40000119.4
227S37.6Very low36.7Very low123 Ų123138.1 Ų138.186%0.8679%0.787SS**  -153161.5111-14.50000109
228N33.9Very low36.9Very low155 Ų155134.7 Ų134.783%0.82978%0.784SS**  trans-92.1147.2-175.6-55.7-31.4000111.6
229E35.9Very low36.9Very low191 Ų191136.7 Ų136.789%0.89379%0.788SS**  -172168.3104.1-99.5179.6159.800111.8
230T39.9Very low37Very low133 Ų133136.8 Ų136.882%0.81679%0.788SS**  trans-137.5-174.8-166.156.40000110.7
231P39.2Very low36.9Very low97 Ų97136 Ų13663%0.6378%0.783SS**  -127.6177.8-72.939.2-24.6000112.6
232N33.3Very low36.6Very low152 Ų152135.9 Ų135.981%0.81378%0.783SS**  173151.8121.7-89-39.1000113.7
233P35Very low36.6Very low108 Ų108133.2 Ų133.270%0.70178%0.779SS**  trans-102.9173.2176.340.5-35.1000113.3
234L38.6Very low36.6Very low156 Ų156133 Ų13382%0.81778%0.778SS**  trans-176.3140.1137.6-101.7165.6000114.7
235T37.6Very low36.5Very low117 Ų117134.7 Ų134.772%0.71878%0.778SS**  trans59.8121.2149.642.70000125.6
236S37.9Very low36.7Very low96 Ų96131.9 Ų131.967%0.67177%0.771SS**  76.793.412472.30000124.1
237T39Very low36.6Very low140 Ų140132.6 Ų132.686%0.85978%0.775SS**  62.1155119.947.80000123.2
238P41.3Very low36.6Very low116 Ų116132.5 Ų132.575%0.75377%0.771SS**  trans-121.3169.5-149.643.2-31.8000117.3
239I37Very low36.8Very low167 Ų167131.5 Ų131.586%0.85677%0.77SS**  trans-133161.2162.5-64.5-176000109.5
240L37.3Very low36.7Very low156 Ų156130.1 Ų130.182%0.81777%0.769SS**  trans-87.7162.9-159.8-66.588.1000117.3
241S35.5Very low36.8Very low98 Ų98131.5 Ų131.569%0.68577%0.77SS**  trans86.5115.7134.463.40000122.3
242N35.3Very low36.6Very low156 Ų156135.5 Ų135.583%0.83478%0.78SS**  86.2141.7124.9-77.13.7000123.2
243V36.3Very low36.8Very low120 Ų120133.8 Ų133.873%0.72778%0.78SS**  trans82.495.6152.5172.30000119
244I33.8Very low36.9Very low140 Ų140133.4 Ų133.472%0.71878%0.78SS**  46.4108.6125-53.2163.3000117.9
245N34.8Very low36.8Very low146 Ų146130.5 Ų130.578%0.78177%0.773SS**  -175.5155.3105.6-112.5-29000117
246S36.9Very low36.7Very low91 Ų91133.5 Ų133.564%0.63678%0.776SS**  trans45.8106.9141.9-53.40000124.1
247C32.7Very low36.4Very low126 Ų126139.5 Ų139.585%0.85179%0.785SS**  75.9159123.7-65.70000121.6
248P37.2Very low36.2Very low122 Ų122142.5 Ų142.579%0.79279%0.79SS**  trans-109.4168.9-161.441.4-33.6000114.9
249V37.8Very low35.9Very low133 Ų133142.1 Ų142.181%0.80679%0.789SS**  trans-123.9124.6170.8175.80000109.8
250N34.7Very low35.4Very low162 Ų162139.4 Ų139.487%0.86678%0.784SS**  trans-79.9147.4165.3-101-12.4000109.7
251I41.7Very low35.5Very low163 Ų163141.6 Ų141.684%0.83679%0.787SS**  trans-120.1128.2163.9-64.2-179.8000108
252E34.6Very low35.4Very low181 Ų181143.8 Ų143.885%0.84680%0.796SS**  trans-116.8121.2-166179.7172.1-137.500110.6
253S38.5Very low35.5Very low115 Ų115143.8 Ų143.880%0.80480%0.795SS**  trans-176.8151.4171.9-84.20000111.4
254S37.2Very low35.7Very low100 Ų100143.3 Ų143.370%0.69980%0.795SS**  cis-168115.4-26.6-1780000110.5
255S35.2Very low36Very low96 Ų96142.7 Ų142.767%0.67180%0.798SS**  trans75.2153.6151880000122.7
256K37.2Very low36.4Very low180 Ų180141.5 Ų141.578%0.78380%0.798SS**  trans80.793.8152.3-70.1168.8-175.1173.90121.4
257Y31.2Very low36.6Very low221 Ų221145.4 Ų145.487%0.86781%0.806SS**  30.5118.6128.8-66.7-86.3000119.9
258Q34.4Very low36.9Very low204 Ų204147.2 Ų147.295%0.95381%0.806SS**  -160.6166.3105.9-109.6177.121.600113.4
259S34.6Very low37.3Very low107 Ų107147.3 Ų147.375%0.74880%0.804SS**  trans-94.8142.3-165.8179.70000113.8
260C27.4Very low37.5Very low110 Ų110148.8 Ų148.874%0.74381%0.807SS**  trans43.7106.7155.2-69.50000119.4
261K38.4Very low38Very low203 Ų203148 Ų14888%0.88380%0.801SS**  trans-155.8135.1131.2-106137.2-168.1171.70113.6
262T34.5Very low38.2Very low143 Ų143145.7 Ų145.788%0.87780%0.796SS**  trans-64.9128.6176.5-35.50000111
263L36.8Very low38.5Very low156 Ų156142.9 Ų142.982%0.81780%0.796SS**  trans-128.1154.7171.9-80.6168.6000110
264P40.2Very low38.8Very low110 Ų110146.7 Ų146.771%0.71480%0.801SS**  -112.9154.4-125.538.3-34.1000115.6
265T40.2Very low38.8Very low128 Ų128152.6 Ų152.679%0.78581%0.808SS**  trans-58135.2165.944.90000111.6H267T265-H267 PolarHBondContact O-N 3.02Å
266P43.9Very low38.9Very low120 Ų120153.8 Ų153.878%0.77982%0.816SS**  trans-66.4122.4-178.126.5-34.2000111.6L268P266-L268 PolarHBondContact O-N 3.45Å
267H40.2Very low38.8Very low174 Ų174153.9 Ų153.981%0.80682%0.817SS**  trans-84.8100.1-175.4-150.8-59.6000110.3T265 V269T265-H267 PolarHBondContact O-N 3.02Å; H267-V269 PolarHBondContact O-N 3.07Å; H267-V269 VanDerWaalsContact O-N 3.15Å
268L39.2Very low39.4Very low164 Ų164154.9 Ų154.986%0.85982%0.819SS**  trans-65.8113.8178.4-70.2175.6000111.1P266P266-L268 PolarHBondContact O-N 3.45Å
269V45.5Very low39.4Very low123 Ų123155 Ų15575%0.74582%0.816SS**  trans-91.3111.2176.61790000109.5H267 I271H267-V269 PolarHBondContact O-N 3.07Å; H267-V269 VanDerWaalsContact O-N 3.15Å; V269-I271 PolarHBondContact O-N 3.3Å
270L41.6Very low39.4Very low165 Ų165155.9 Ų155.986%0.86482%0.82SS**  trans-71.2107.2173.8-82.5165.7000111P272L270-P272 WeakPolarHBondContact O-CD 3.36Å
271I46.5Very low39.9Very low146 Ų146162.3 Ų162.375%0.74983%0.829SS**  trans-69.3120173.2-59.6175.5000109.4V269 C273V269-I271 PolarHBondContact O-N 3.3Å; I271-C273 PolarHBondContact O-N 2.75Å; I271-C273 VanDerWaalsContact O-N 3.16Å
272P45.9Very low39.9Very low113 Ų113159.1 Ų159.173%0.73483%0.827SS**  trans-85.292-17432.8-34.2000112.4L270 Q274L270-P272 WeakPolarHBondContact O-CD 3.36Å; P272-Q274 PolarHBondContact O-N 2.82Å
273C40.8Very low40.2Very low123 Ų123158 Ų15883%0.83182%0.822SS**  trans-55.3134.8168.2-82.70000111.6I271I271-C273 PolarHBondContact O-N 2.75Å; I271-C273 VanDerWaalsContact O-N 3.16Å
274Q44.3Very low40.3Very low194 Ų194157 Ų15791%0.90782%0.823SS**  trans-72.5134.4-164.4-63.9-170.32.100113.6P272 S276P272-Q274 PolarHBondContact O-N 2.82Å; Q274-S276 PolarHBondContact O-N 3.13Å
275R36.3Very low40.2Very low225 Ų225161.4 Ų161.485%0.84983%0.831SS**  trans-62.1114.3176.4-80.4175.7158.5175.6-5.8112.4K277R275-K277 HydrophobicContact CB-CG 4.48Å; R275-K277 PolarHBondContact O-N 2.94Å
276S37.5Very low40Very low121 Ų121167 Ų16785%0.84684%0.837SS**  trans-64.1115.9156.5-175.80000109.9Q274Q274-S276 PolarHBondContact O-N 3.13Å
277K36.6Very low39.7Very low182 Ų182169 Ų16979%0.79184%0.841SS**  trans-99.592-173.6-68.7174.2-174.21660111.7R275R275-K277 HydrophobicContact CB-CG 4.48Å; R275-K277 PolarHBondContact O-N 2.94Å
278R42.1Very low39.7Very low241 Ų241166.8 Ų166.891%0.90984%0.842SS**  trans-122.8113.1159.2-75.8-170.2169.5172.2-1.4111.5
279K34.4Very low39.7Very low208 Ų208165.6 Ų165.690%0.90484%0.841SS**  trans-87.1120.1179.5-66.9173.1177.5173.40109.8
280C35.6Very low39.3Very low124 Ų124169.2 Ų169.284%0.83885%0.847SS**  trans-111.1121.4161.1-710000109
281R37.4Very low38.8Very low245 Ų245172.9 Ų172.993%0.92585%0.849SS**PPolyproline II helixtrans-78.2121.8-177.5-78.2170.4158.6161.4-8.8110.7P283R281-P283 WeakPolarHBondContact O-CD 3.45Å
282T38.5Very low38.3Very low136 Ų136174.6 Ų174.683%0.83485%0.854SS**PPolyproline II helixtrans-76.9123.6161.4-21.30000109.4
283P40.2Very low37.7Very low120 Ų120174 Ų17478%0.77985%0.852SS**PPolyproline II helixtrans-75.2131.9-179-18.232.9000113.1R281R281-P283 WeakPolarHBondContact O-CD 3.45Å
284T40.6Very low37.5Very low135 Ų135180.2 Ų180.283%0.82886%0.858SS**PPolyproline II helixtrans-65.8131.3177.8-48.40000112R286T284-R286 PolarHBondContact O-N 3.19Å
285K36.1Very low37.1Very low203 Ų203180.4 Ų180.488%0.88386%0.856SS**PPolyproline II helixtrans-59125.6172.8-68.8-172.7177.2-175.60110.8
286R37.4Very low37.1Very low244 Ų244179.5 Ų179.592%0.92186%0.858SS**PPolyproline II helixtrans-97.6138.7163.4-83.7-176.5164.6169.5-4.5109.9T284T284-R286 PolarHBondContact O-N 3.19Å
287L37.2Very low37.1Very low163 Ų163179.1 Ų179.185%0.85385%0.853SS**PPolyproline II helixtrans-80.6129.6-175.3-64.2163.6000111.5
288P39.2Very low37.2Very low128 Ų128177.2 Ų177.283%0.83186%0.857SS**PPolyproline II helixtrans-72.7143.8158.6-14.430.9000110.6
289V40.4Very low36.9Very low139 Ų139172.6 Ų172.684%0.84285%0.85SS**PPolyproline II helixtrans-94.2164.3-175.8174.70000111.4
290K37.2Very low37.2Very low198 Ų198169 Ų16986%0.86185%0.846SS**PPolyproline II helixtrans-49.5154.5-171.3-66179.3176.4-179.60116
291R30.9Very low37.4Very low243 Ų243168.5 Ų168.592%0.91784%0.839SS**  trans-33.3139.1156.8-58.6159.9106.9109.5-7.6112.8
292E36.1Very low37.6Very low181 Ų181162.1 Ų162.185%0.84683%0.829SS**  trans-140.4144.2149.4-166.760.4-93.500108.2
293S32.6Very low37.6Very low100 Ų100161.3 Ų161.370%0.69982%0.824SS**  trans-99.3145.1-16968.60000113.6
294R36.7Very low37.6Very low254 Ų254161.4 Ų161.496%0.95882%0.823SS**  trans-152142.4155.3-120.8170.4-171.2-170.40.8114.6
295K35.6Very low37.5Very low198 Ų198166.2 Ų166.286%0.86183%0.826SS**  trans-91.4151-176.2-50.3168.8-179178.40110.9
296K36.1Very low37.6Very low207 Ų207163.6 Ų163.690%0.982%0.817SS**  -172.9135.8124.7-108.1179.2178.2-171.30112.6
297P37.5Very low37.6Very low112 Ų112161.9 Ų161.973%0.72781%0.81SS**  trans-104.6164.1168.839.2-32.5000112.6
298T40.5Very low37.5Very low143 Ų143161.6 Ų161.688%0.87781%0.809SS**  trans-145.9145.8164.9-43.20000110.2
299N35.8Very low37.8Very low144 Ų144160.7 Ų160.777%0.7780%0.804SS**  trans-106.6164.6-174.7-56.8-50.1000113.2
300T40.5Very low37.6Very low132 Ų132159.7 Ų159.781%0.8180%0.803SS**  -162.8110.8126.924.80000109
301T39.1Very low37.8Very low114 Ų114154.1 Ų154.170%0.69979%0.794SS**  54.8153.586.837.10000116.8
302P42.1Very low38.3Very low111 Ų111150.1 Ų150.172%0.72179%0.791SS**  cis-123.11455.214.611.3000115.6
303T39.1Very low38.4Very low118 Ų118146.7 Ų146.772%0.72479%0.787SS**  62140.485.271.30000117.3
304T39.5Very low39Very low123 Ų123146 Ų14676%0.75578%0.782SS**  -172.4158.373.2-54.20000114.6
305R37.2Very low39.2Very low236 Ų236143.3 Ų143.389%0.89178%0.777SS**  trans87.2143.7171.4-62.5-170.3169.7-155.9-2.6118.6
306Q38.3Very low39.5Very low147 Ų147145.4 Ų145.469%0.68778%0.78SS**  cis-169150.8-39.2-124.3-168.222.300113.1
307R37.9Very low39.9Very low209 Ų209141.7 Ų141.779%0.78978%0.775SS**  trans6397.8152.5-68.6176.6168.8173.8-4.2123.6
308N36.5Very low40.3Very low156 Ų156141.8 Ų141.883%0.83478%0.775SS**  30.1167.498-55.88.3000121.7
309P44.4Very low40.2Very low110 Ų110139.1 Ų139.171%0.71477%0.768SS**  cis-147.1-172.7-47.844.3-26.5000116.8
310S36.4Very low40.4Very low118 Ų118137.4 Ų137.483%0.82577%0.767SS**  trans77.7161.6157.585.30000119.7
311A40.8Very low40.3Very low81 Ų81136.6 Ų136.667%0.66976%0.762SS**  cis-158.4166.72.400000115.6
312N41Very low40.2Very low159 Ų159136.4 Ų136.485%0.8577%0.765SS**  trans76.1115.4140.6-73.7-0.1000127.5
313S39.9Very low39.9Very low108 Ų108135.5 Ų135.576%0.75577%0.767SS**  106.5127.8112.7-158.90000125
314S43.5Very low40Very low87 Ų87141.2 Ų141.261%0.60878%0.775SS**  trans89.5108.8137.7-74.90000126.5
315K42.7Very low40Very low197 Ų197141 Ų14186%0.85777%0.774SS**  89.8140.2116.8-73.1176.9178.9175.70124.4
316R41Very low40.4Very low242 Ų242135.9 Ų135.991%0.91377%0.771SS**  trans94.695.5150.8-93.5-175.4168.9-172.8-4.6122.3
317T43.4Very low40.2Very low129 Ų129140.1 Ų140.179%0.79178%0.781SS**  trans-61.1-173.5146.238.10000113.5
318P47.8Very low40.3Very low114 Ų114136.2 Ų136.274%0.7479%0.786SS**  cis-144.1-173.211.243-22.6000119
319A37.1Very low40.3Very low87 Ų87133.3 Ų133.372%0.71978%0.777SS**  trans75.1149.414400000119.7
320S39.4Very low39.9Very low108 Ų108135.7 Ų135.776%0.75578%0.784SS**  cis-170.1176.2-5-107.30000110.3
321T40.3Very low40Very low114 Ų114141.9 Ų141.970%0.69979%0.79SS**  cis-176.9151.8-31.9-82.50000109.1
322S36.4Very low39.9Very low110 Ų110143.5 Ų143.577%0.76980%0.796SS**  trans72138.1175.6-66.70000117.7
323A36.2Very low39.6Very low92 Ų92147.3 Ų147.376%0.7680%0.798SS**  cis103118.25.500000118
324R39.7Very low39.4Very low239 Ų239146.7 Ų146.790%0.90279%0.794SS**  -178122.7129.8-102.8174.7167.6170.6-3.3115.3
325T41.1Very low39.3Very low119 Ų119150.6 Ų150.673%0.7380%0.802SS**  7.7145.9129.752.10000119.6
326P44Very low39Very low128 Ų128146.9 Ų146.983%0.83180%0.796SS**  -146.2168.462.140-21.2000119.7
327R35.2Very low38.9Very low236 Ų236142.2 Ų142.289%0.89179%0.788SS**  trans-99.3163.3167.2-62.2163.384.6179.68.6109.9
328S39.9Very low38.6Very low126 Ų126142.2 Ų142.288%0.88179%0.788SS**  trans126.1150.1133.574.90000115
329S36.8Very low38.2Very low95 Ų95141.9 Ų141.966%0.66479%0.788SS**  trans-144.2153.1-168.959.60000110.5
330N34.9Very low38.6Very low161 Ų161143.4 Ų143.486%0.86179%0.791SS**  trans72.4117.3165.6-48.9-21.6000116.4
331R39.6Very low38.6Very low248 Ų248146.2 Ų146.294%0.93680%0.797SS**  trans-132.1123155.1-168.6175.5-172.7175.62.1108
332S37.4Very low38.6Very low114 Ų114144.6 Ų144.680%0.79780%0.795SS**  trans-69.4154.7176.5-61.60000111.3
333R35.7Very low38.5Very low240 Ų240147.7 Ų147.791%0.90680%0.804SS**  trans-53.7144.8168.2-76.2174.5163.3163.8-6.8111.2
334S35.2Very low38.7Very low94 Ų94148 Ų14866%0.65780%0.8SS**  -169.1155.7107.7-870000112.5
335H41.4Very low38.8Very low170 Ų170143.4 Ų143.479%0.78779%0.792SS**  trans77.1117.1164.7-50.1-58.9000121.1
336T35.7Very low38.8Very low119 Ų119145.3 Ų145.373%0.7379%0.791SS**  trans79115.7133.944.90000124.4
337I39.6Very low38.6Very low143 Ų143146.5 Ų146.573%0.73379%0.785SS**  trans93122130.5-66.3165.6000119.7
338T37.9Very low38.9Very low129 Ų129144.7 Ų144.779%0.79178%0.784SS**  trans57.6146.3167.544.70000119
339S39.4Very low38.9Very low108 Ų108143 Ų14376%0.75577%0.772SS**  cis-158.6163.9-13.336.60000109.3
340P45.4Very low39.2Very low118 Ų118143.8 Ų143.877%0.76677%0.773SS**  trans-104.1155.4-162.938.6-34.7000115.9
341N38.4Very low39.4Very low167 Ų167143.7 Ų143.789%0.89377%0.771SS**  trans-172.7159.2146-112.2-10.7000110.5
342A40.1Very low39.2Very low80 Ų80136.1 Ų136.166%0.66176%0.756SS**  -160.1134.1-57.200000108.6
343N35.2Very low39.3Very low176 Ų176138.9 Ų138.994%0.94176%0.757SS**  trans-104138.7163.8-86-1.7000108.7
344S39.9Very low39.2Very low98 Ų98133.6 Ų133.669%0.68575%0.752SS**  trans-123.9124.4-172.699.50000112.1
345L43.1Very low39.1Very low142 Ų142133.9 Ų133.974%0.74375%0.753SS**  trans66.7147.9159.1-69.362.8000115.9
346K40.4Very low38.8Very low159 Ų159132.3 Ų132.369%0.69176%0.756SS**  cis-160.2150.1-9.7-117.6169.6178.4-178.50111.2
347Q39.9Very low38.6Very low154 Ų154131.6 Ų131.672%0.7276%0.756SS**  trans47.2131.8145.1-65.5164.3-71.100119.9
348K41Very low38.4Very low198 Ų198131 Ų13186%0.86176%0.759SS**  53.8139.363.6-87.8-163.6171.1-170.50114.1
349S40.9Very low38.3Very low89 Ų89136.9 Ų136.962%0.62277%0.767SS**  cis-170.9-170-21.846.70000106.1
350T41.4Very low38.1Very low113 Ų113135.5 Ų135.569%0.69377%0.769SS**  cis-167.9172.619.1-24.80000108.9
351L40.2Very low37.7Very low158 Ų158139.1 Ų139.183%0.82778%0.776SS**  trans69.9156.9165.4-60159.7000116.7
352S35.9Very low37.6Very low89 Ų89135.9 Ų135.962%0.62277%0.766SS**  cis-166.6169.8-40.946.80000110.2
353E38.4Very low37.7Very low172 Ų172141.1 Ų141.180%0.80477%0.774SS**  trans75.4120.9170.1-57.1-176.316800116.5
354T33.2Very low37.8Very low130 Ų130144.9 Ų144.980%0.79878%0.775SS**  55.3127.195.36.60000114.3
355S33.7Very low37.7Very low99 Ų99151.9 Ų151.969%0.69279%0.787SS**  cis-149.8162.321.7-59.80000114.2
356T35Very low37.5Very low138 Ų138150 Ų15085%0.84779%0.791SS**  trans11.5110.5153.154.20000120.4
357S32.5Very low37.3Very low104 Ų104149.7 Ų149.773%0.72780%0.797SS**  trans-175.5137.2130.1-164.90000113.5
358T35Very low37.8Very low129 Ų129149 Ų14979%0.79180%0.804SS**  trans54.2149.5157.754.90000122.3
359R35.3Very low37.9Very low254 Ų254145.1 Ų145.196%0.95879%0.793SS**  trans62.9110.8146.5-166.9-179-169.7177.43.6117.8
360G36Very low38Very low78 Ų78146.7 Ų146.780%0.80480%0.803SS**  trans-177.987.6172.100000114
361E36Very low38.1Very low195 Ų195148.9 Ų148.991%0.91180%0.803SS**  trans-73.3178165.9-63.6177.788.800112.1
362S37.3Very low38Very low99 Ų99152.7 Ų152.769%0.69281%0.807SS**  trans86.2104.9155.1-152.90000118.6
363K40.9Very low38Very low189 Ų189154.7 Ų154.782%0.82282%0.819SS**  trans43.7106.1131.2-61.6166.4-177.8160.80117.5
364R38.9Very low37.9Very low255 Ų255154.3 Ų154.396%0.96282%0.822SS**  trans-136.9117.2133.5-105.9164.9-160.7-153.51.7111.5
365R36Very low38.3Very low246 Ų246155.6 Ų155.693%0.92882%0.819SS**  trans-80.1135.3174.2-66.9179173.5-174-2.2109.4
366A39.3Very low38.4Very low102 Ų102162.4 Ų162.484%0.84383%0.829SS**  trans-121.7113.9160.800000107.9
367N37.5Very low38.4Very low153 Ų153166.1 Ų166.182%0.81883%0.828SS**  trans-111.7110.8-167.1-153.422.6000110
368T50.3Low38.8Very low140 Ų140166.2 Ų166.286%0.85983%0.829SS**  trans-141.599.1167.242.60000110.6
369D42.4Very low39.1Very low116 Ų116166.8 Ų166.862%0.6283%0.832SS**  trans-73.5125.8177.3-161.9-10.2000110.2K371D369-K371 WeakPolarHBondContact OD1-CE 3.23Å; D369-K371 WeakPolarHBondContact OD1-CG 3.35Å; D369-K371 IonicContact OD1-NZ 2.76Å; D369-K371 PolarHBondContact OD1-NZ 3.47Å; D369-K371 WeakPolarHBondContact OD2-CE 3.1Å; D369-K371 IonicContact OD2-NZ 3.5Å; D369-K371 PolarHBondContact OD2-NZ 3.01Å
370S42.8Very low39.4Very low121 Ų121163 Ų16385%0.84682%0.824SS**  trans-144.592.7173.1-168.90000111.5
371K44.1Very low39.8Very low160 Ų160168.3 Ų168.370%0.69683%0.828SS**  trans-88.1116.4-174.8-67.9163.6-176.6139.20111.6D369D369-K371 WeakPolarHBondContact OD1-CE 3.23Å; D369-K371 WeakPolarHBondContact OD1-CG 3.35Å; D369-K371 IonicContact OD1-NZ 2.76Å; D369-K371 PolarHBondContact OD1-NZ 3.47Å; D369-K371 WeakPolarHBondContact OD2-CE 3.1Å; D369-K371 IonicContact OD2-NZ 3.5Å; D369-K371 PolarHBondContact OD2-NZ 3.01Å
372R38.4Very low40.7Very low238 Ų238165.3 Ų165.390%0.89882%0.824SS**  175.2116.6116.3-96.6167.4175.6-164-2.7112.8N374R372-N374 PolarHBondContact O-N 3.19Å
373C35Very low41.7Very low130 Ų130164.2 Ų164.288%0.87881%0.814SS**  trans-69.8126.3166.4-67.10000110.5
374N36.5Very low42.1Very low164 Ų164158.5 Ų158.588%0.87779%0.793SS**  trans-162.841.7162.7-115.4-25.7000113.2R372R372-N374 PolarHBondContact O-N 3.19Å
375H41.1Very low43.2Very low157 Ų157152 Ų15273%0.72778%0.783SS**  trans-101.5108.8174.5-167.871.6000110.8R377H375-R377 PolarHBondContact O-N 2.86Å
376R35.7Very low44.4Very low242 Ų242148.2 Ų148.291%0.91378%0.776SS**  trans-69.895175.9-69.5179.3172.1-168.5-2.4110.3
377R36.7Very low45.6Very low216 Ų216151.9 Ų151.982%0.81577%0.773SS**  trans-78.3136.6163.9-89.1-179.6176.4-119.1-2.6110.7H375H375-R377 PolarHBondContact O-N 2.86Å
378S38.9Very low47.2Very low107 Ų107146 Ų14675%0.74874%0.744SS**  trans-67.1132.1-174.8-173.10000111.3H380S378-H380 VanDerWaalsContact C-N 3.29Å; S378-H380 PolarHBondContact O-N 3.26Å
379V42.1Very low48.5Very low140 Ų140146.3 Ų146.385%0.84873%0.73SS**SBendtrans-83.576174.3-175.50000108.9
380H41Very low50.5Low174 Ų174143.9 Ų143.981%0.80672%0.721SS**  trans-146.438.4178-109.148.9000113.4S378S378-H380 VanDerWaalsContact C-N 3.29Å; S378-H380 PolarHBondContact O-N 3.26Å
381E44.8Very low52.2Low190 Ų190148.8 Ų148.889%0.88872%0.721SS**  trans-104.198.3159.3-84.2-179.5143.600109.3P383E381-P383 WeakPolarHBondContact O-CD 3.47Å
382T54.4Low54Low132 Ų132149 Ų14981%0.8172%0.718SS**PPolyproline II helixtrans-68.9118.5160.435.70000108.3N384T382-N384 PolarHBondContact O-N 3.21Å
383P58.3Low56.1Low76 Ų76140.4 Ų140.449%0.49469%0.688SS.*PPolyproline II helixtrans-57.9134177.9-25.936.9000110.8E381 S388E381-P383 WeakPolarHBondContact O-CD 3.47Å; P383-S388 VanDerWaalsContact CB-OG 3.28Å; P383-S388 WeakPolarHBondContact CB-OG 3.45Å
384N50.8Low58.5Low70 Ų70138.9 Ų138.937%0.37466%0.664SS.*PPolyproline II helixtrans-54.8124.4-179.3179-13.9000109.7T382 E386 K387 S388T382-N384 PolarHBondContact O-N 3.21Å; N384-E386 PolarHBondContact O-N 2.94Å; N384-E386 WeakPolarHBondContact OD1-CB 3.29Å; N384-E386 PolarHBondContact OD1-N 3.05Å; N384-K387 HydrophobicContact CB-CB 4.34Å; N384-K387 PolarHBondContact O-N 2.96Å; N384-S388 WeakPolarHBondContact O-CB 3.41Å; N384-S388 PolarHBondContact O-N 3.19Å; N384-S388 VanDerWaalsContact O-N 3.1Å; N384-S388 PolarHBondContact O-OG 2.85Å
385P61.8Low60.6Low117 Ų117133.9 Ų133.976%0.7665%0.645SS**THydrogen-bonded Turntrans-61.9-30.4-179.625.2-35.1000113.3K387P385-K387 VanDerWaalsContact C-N 3.31Å; P385-K387 PolarHBondContact O-N 3.35Å
386E59.8Low62.6Low168 Ų168133.4 Ų133.479%0.78564%0.641SS**THydrogen-bonded Turntrans-76.6-17.3179.8-57.6170.4163.200113.1N384N384-E386 PolarHBondContact O-N 2.94Å; N384-E386 WeakPolarHBondContact OD1-CB 3.29Å; N384-E386 PolarHBondContact OD1-N 3.05Å
387K65.6Low65Low179 Ų179126.5 Ų126.578%0.77862%0.622SS**SBendtrans-128.113.6-171.8-60.6-169.1178.3-172.70113.9N384 P385N384-K387 HydrophobicContact CB-CB 4.34Å; N384-K387 PolarHBondContact O-N 2.96Å; P385-K387 VanDerWaalsContact C-N 3.31Å; P385-K387 PolarHBondContact O-N 3.35Å
388S71.8Confident67.2Low30 Ų30118.2 Ų118.221%0.2160%0.599CS.*SBendtrans-142.8118.9177.971.20000113.1P383 N384 R394P383-S388 VanDerWaalsContact CB-OG 3.28Å; P383-S388 WeakPolarHBondContact CB-OG 3.45Å; N384-S388 WeakPolarHBondContact O-CB 3.41Å; N384-S388 PolarHBondContact O-N 3.19Å; N384-S388 VanDerWaalsContact O-N 3.1Å; N384-S388 PolarHBondContact O-OG 2.85Å; S388-R394 PolarHBondContact O-NH2 3.27Å; S388-R394 PolarHBondContact OG-NH2 2.85Å
389Y77.1Confident69.2Low145 Ų145115.6 Ų115.657%0.56958%0.584SS**  trans-45.1142.3178.9-65.5-72.5000112.9E393 R394 L397Y389-E393 HydrophobicContact CD1-CG 4.2Å; Y389-E393 VanDerWaalsContact CD1-OE2 3.27Å; Y389-E393 WeakPolarHBondContact CD1-OE2 3.22Å; Y389-E393 HydrophobicContact CG-CG 4.34Å; Y389-R394 PolarHBondContact O-NE 2.96Å; Y389-R394 PolarHBondContact O-NH2 3.14Å; Y389-L397 HydrophobicContact CD2-CD1 4.17Å; Y389-L397 HydrophobicContact CE2-CD1 4.33Å
390P83.2Confident71Confident66 Ų66111.7 Ų111.743%0.42957%0.566SS.*  trans-42150.1171.5-33.536.6000114.5W392 E393 R394P390-W392 HydrophobicContact CB-CG 4.39Å; P390-W392 PolarHBondContact O-N 3.18Å; P390-W392 VanDerWaalsContact O-N 3.13Å; P390-E393 HydrophobicContact CB-CB 4.47Å; P390-E393 WeakPolarHBondContact CD-OE2 3.2Å; P390-E393 WeakPolarHBondContact O-CB 3.31Å; P390-E393 PolarHBondContact O-N 3.1Å; P390-R394 PolarHBondContact O-N 3.13Å
391R78.4Confident72.8Confident224 Ų224110.5 Ų110.585%0.84556%0.561SS**Hα-helixtrans-56.2-35.1-174.2-176.4-179.3175-155.7-2.4113.2A395R391-A395 PolarHBondContact O-N 3.15Å
392W82.9Confident74.5Confident164 Ų164109.2 Ų109.262%0.62155%0.553SS**Hα-helixtrans-69.5-34.6177.765.8-99.3000112.2P390 A395 K396P390-W392 HydrophobicContact CB-CG 4.39Å; P390-W392 PolarHBondContact O-N 3.18Å; P390-W392 VanDerWaalsContact O-N 3.13Å; W392-A395 WeakPolarHBondContact O-CB 2.81Å; W392-A395 PolarHBondContact O-N 2.73Å; W392-K396 HydrophobicContact CZ3-CD 4.42Å; W392-K396 PolarHBondContact O-N 2.91Å
393E82.3Confident75.5Confident57 Ų57106.2 Ų106.227%0.26653%0.534SS..Hα-helixtrans-78.4-39.6-177.7-171.9161.1-132.800111.6Y389 P390 A395 K396 L397Y389-E393 HydrophobicContact CD1-CG 4.2Å; Y389-E393 VanDerWaalsContact CD1-OE2 3.27Å; Y389-E393 WeakPolarHBondContact CD1-OE2 3.22Å; Y389-E393 HydrophobicContact CG-CG 4.34Å; P390-E393 HydrophobicContact CB-CB 4.47Å; P390-E393 WeakPolarHBondContact CD-OE2 3.2Å; P390-E393 WeakPolarHBondContact O-CB 3.31Å; P390-E393 PolarHBondContact O-N 3.1Å; E393-A395 PolarHBondContact O-N 3.22Å; E393-K396 WeakPolarHBondContact O-CB 3.41Å; E393-K396 PolarHBondContact O-N 3.18Å; E393-K396 VanDerWaalsContact O-N 3.13Å; E393-L397 WeakPolarHBondContact O-CG 3.28Å; E393-L397 PolarHBondContact O-N 3.05Å
394R85.4Confident76.2Confident99 Ų99110.8 Ų110.837%0.37455%0.546SS..Hα-helixtrans-55.4-38.8164-89.4-179.3-85.3-156.5-15.2112.4S388 Y389 P390 A398S388-R394 PolarHBondContact O-NH2 3.27Å; S388-R394 PolarHBondContact OG-NH2 2.85Å; Y389-R394 PolarHBondContact O-NE 2.96Å; Y389-R394 PolarHBondContact O-NH2 3.14Å; P390-R394 PolarHBondContact O-N 3.13Å; R394-A398 VanDerWaalsContact O-CB 3.31Å; R394-A398 WeakPolarHBondContact O-CB 3.44Å; R394-A398 PolarHBondContact O-N 2.91Å
395A81Confident76.9Confident59 Ų59114.7 Ų114.749%0.48857%0.567SS.*Hα-helixtrans-70.7-36.517600000112.6R391 W392 E393 A399R391-A395 PolarHBondContact O-N 3.15Å; W392-A395 WeakPolarHBondContact O-CB 2.81Å; W392-A395 PolarHBondContact O-N 2.73Å; E393-A395 PolarHBondContact O-N 3.22Å; A395-A399 WeakPolarHBondContact O-CB 3.27Å; A395-A399 PolarHBondContact O-N 3.23Å
396K83.7Confident77Confident146 Ų146116.3 Ų116.364%0.63556%0.562SS**Hα-helixtrans-62.8-47.7174.1-173.1-178.8178.1-175.10111.5W392 E393 A399 A400W392-K396 HydrophobicContact CZ3-CD 4.42Å; W392-K396 PolarHBondContact O-N 2.91Å; E393-K396 WeakPolarHBondContact O-CB 3.41Å; E393-K396 PolarHBondContact O-N 3.18Å; E393-K396 VanDerWaalsContact O-N 3.13Å; K396-A399 PolarHBondContact O-N 3.44Å; K396-A400 PolarHBondContact O-N 3.34Å
397L84.3Confident76.5Confident98 Ų98113.3 Ų113.351%0.51357%0.566SS.*Hα-helixtrans-61.5-48.7176.3-68.6170.7000111.7Y389 E393 A399 A400 E401Y389-L397 HydrophobicContact CD2-CD1 4.17Å; Y389-L397 HydrophobicContact CE2-CD1 4.33Å; E393-L397 WeakPolarHBondContact O-CG 3.28Å; E393-L397 PolarHBondContact O-N 3.05Å; L397-A399 PolarHBondContact O-N 2.99Å; L397-A400 PolarHBondContact O-N 3.37Å; L397-E401 WeakPolarHBondContact O-CB 3.12Å; L397-E401 PolarHBondContact O-N 2.78Å
398A82.7Confident75.8Confident41 Ų41109.6 Ų109.634%0.33955%0.554SS.*Hα-helixtrans-69.2-12.217800000114.5R394 K402R394-A398 VanDerWaalsContact O-CB 3.31Å; R394-A398 WeakPolarHBondContact O-CB 3.44Å; R394-A398 PolarHBondContact O-N 2.91Å; A398-K402 WeakPolarHBondContact O-CD 3.18Å; A398-K402 WeakPolarHBondContact O-CG 3.4Å
399A81.9Confident74.6Confident53 Ų53115 Ų11544%0.43858%0.579SS.*Hα-helixtrans-84.7-47.916900000111A395 K396 L397 E401 K402 T403A395-A399 WeakPolarHBondContact O-CB 3.27Å; A395-A399 PolarHBondContact O-N 3.23Å; K396-A399 PolarHBondContact O-N 3.44Å; L397-A399 PolarHBondContact O-N 2.99Å; A399-E401 VanDerWaalsContact C-N 3.33Å; A399-E401 PolarHBondContact O-N 2.65Å; A399-K402 PolarHBondContact O-N 3.12Å; A399-T403 PolarHBondContact O-N 2.81Å
400A80.9Confident73.4Confident57 Ų57113.5 Ų113.547%0.47159%0.585SS.*Hα-helixtrans-60.9-39.317700000112.6K396 L397 K402 T403 K404K396-A400 PolarHBondContact O-N 3.34Å; L397-A400 PolarHBondContact O-N 3.37Å; A400-K402 PolarHBondContact O-N 3.35Å; A400-T403 PolarHBondContact O-N 3.22Å; A400-T403 PolarHBondContact O-OG1 2.78Å; A400-K404 PolarHBondContact O-N 3.46Å
401E77.9Confident71.9Confident150 Ų150116.5 Ų116.570%0.70160%0.597SS**Hα-helixtrans-58.9-35173.9-173.7177.6-151.400112.3L397 A399L397-E401 WeakPolarHBondContact O-CB 3.12Å; L397-E401 PolarHBondContact O-N 2.78Å; A399-E401 VanDerWaalsContact C-N 3.33Å; A399-E401 PolarHBondContact O-N 2.65Å
402K79.7Confident70Confident162 Ų162115.1 Ų115.170%0.70460%0.6SS**Hα-helixtrans-80.3-18.1179.4-71.6177.5-177178.70114.4A398 A399 A400A398-K402 WeakPolarHBondContact O-CD 3.18Å; A398-K402 WeakPolarHBondContact O-CG 3.4Å; A399-K402 PolarHBondContact O-N 3.12Å; A400-K402 PolarHBondContact O-N 3.35Å
403T76Confident67.9Low69 Ų69111.9 Ų111.942%0.42360%0.603SS.*Hα-helixtrans-99.2-16.6176.356.90000113.2A399 A400 N405 K406 I408A399-T403 PolarHBondContact O-N 2.81Å; A400-T403 PolarHBondContact O-N 3.22Å; A400-T403 PolarHBondContact O-OG1 2.78Å; T403-N405 PolarHBondContact O-N 2.92Å; T403-K406 PolarHBondContact O-N 2.89Å; T403-I408 HydrophobicContact CG2-CD1 3.85Å
404K72.4Confident65.9Low173 Ų173115 Ų11575%0.75263%0.628SS**THydrogen-bonded Turntrans-49.2-32.1-176-168.2174.3-179.4179.90115.2A400A400-K404 PolarHBondContact O-N 3.46Å
405N66.1Low64Low152 Ų152118.4 Ų118.481%0.81365%0.652SS**THydrogen-bonded Turntrans-11424.6-179.6-61.212.6000112.9T403T403-N405 PolarHBondContact O-N 2.92Å
406K64.9Low62.4Low150 Ų150124.5 Ų124.565%0.65267%0.667SS**  trans-132.8115.2177.7-67.7-167.5175.6-165.90110.9T403 I408T403-K406 PolarHBondContact O-N 2.89Å; K406-I408 HydrophobicContact CB-CG1 4.16Å; K406-I408 PolarHBondContact O-N 2.81Å
407A48Very low60.4Low105 Ų105123.1 Ų123.187%0.86867%0.673SS**  trans-69.678.1167.900000110I409A407-I409 PolarHBondContact O-N 2.96Å
408I50.6Low58.4Low102 Ų102123.7 Ų123.752%0.52368%0.683SS.*  trans-77102.1168.6-57177.6000106.2T403 K406 V410T403-I408 HydrophobicContact CG2-CD1 3.85Å; K406-I408 HydrophobicContact CB-CG1 4.16Å; K406-I408 PolarHBondContact O-N 2.81Å; I408-V410 HydrophobicContact CG2-CG2 3.86Å; I408-V410 PolarHBondContact O-N 3.21Å; I408-V410 VanDerWaalsContact O-N 3.09Å
409I46.6Very low56.4Low143 Ų143129.8 Ų129.873%0.73371%0.709SS**  trans-64.2108.8164-59.8174.8000105.9A407 D411A407-I409 PolarHBondContact O-N 2.96Å; I409-D411 PolarHBondContact O-N 2.96Å
410V53.6Low54.7Low114 Ų114131.8 Ų131.869%0.69172%0.716SS**  trans-93.391.3172.8-179.20000106.5I408 E412I408-V410 HydrophobicContact CG2-CG2 3.86Å; I408-V410 PolarHBondContact O-N 3.21Å; I408-V410 VanDerWaalsContact O-N 3.09Å; V410-E412 PolarHBondContact O-N 2.85Å
411D49.8Very low53.4Low128 Ų128136.4 Ų136.468%0.68474%0.738SS**  trans-57.7126.3163.6-66.2-34.8000108I409 S413I409-D411 PolarHBondContact O-N 2.96Å; D411-S413 VanDerWaalsContact C-N 3.26Å; D411-S413 PolarHBondContact O-N 3.36Å; D411-S413 PolarHBondContact O-OG 3.48Å
412E38.7Very low52.1Low195 Ų195131.6 Ų131.691%0.91172%0.719SS**  trans-68.880-173.3-69.2-164126.400112.1V410V410-E412 PolarHBondContact O-N 2.85Å
413S39.1Very low51.4Low97 Ų97127.1 Ų127.168%0.67871%0.708SS**PPolyproline II helixtrans-71.8129.8172.9-64.30000110D411 I415D411-S413 VanDerWaalsContact C-N 3.26Å; D411-S413 PolarHBondContact O-N 3.36Å; D411-S413 PolarHBondContact O-OG 3.48Å; S413-I415 PolarHBondContact O-N 2.88Å
414P41.6Very low51.1Low123 Ų123128.4 Ų128.480%0.79972%0.717SS**PPolyproline II helixtrans-58.6136.5-177.221.3-32.2000112.2K416P414-K416 PolarHBondContact O-N 2.85Å
415I43.8Very low51Low169 Ų169125 Ų12587%0.86771%0.707SS**PPolyproline II helixtrans-65.9127.4-165.3-63.4170.5000111.3S413S413-I415 PolarHBondContact O-N 2.88Å
416K48.4Very low51Low187 Ų187124 Ų12481%0.81369%0.692SS**PPolyproline II helixtrans-74.8137.3176.5-72.3170.1-179.8162.20111.1P414P414-K416 PolarHBondContact O-N 2.85Å
417P42.5Very low51.2Low117 Ų117123.9 Ų123.976%0.7669%0.687SS**PPolyproline II helixtrans-69.3150.8174.130-35.5000111.5
418P40.9Very low52.3Low110 Ų110123.8 Ų123.871%0.71467%0.671SS**SBendtrans-75.9164.2178.732.6-36.2000113
419L42Very low53.4Low170 Ų170127.6 Ų127.689%0.8968%0.679SS**  trans68.250.1155.5-64.4157.3000119.5
420T46.1Very low54.5Low95 Ų95129 Ų12958%0.58368%0.675SS**  trans-137.5122.4144.962.60000113V422T420-V422 PolarHBondContact O-N 3.13Å
421T52.1Low55.2Low154 Ų154125.4 Ų125.495%0.94566%0.658SS**  trans-77.423.9176.148.60000113.9
422V51Low56.2Low48 Ų48123.4 Ų123.429%0.29165%0.647SS.*SBendtrans-134.3120.7-171.71800000108.6T420 R426 R427T420-V422 PolarHBondContact O-N 3.13Å; V422-R426 HydrophobicContact CG1-CB 3.89Å; V422-R426 HydrophobicContact CG1-CG 4.27Å; V422-R427 HydrophobicContact CG1-CG 4.3Å
423S65.2Low57.8Low69 Ų69117.9 Ų117.948%0.48363%0.63SS.*  trans-60.7144.8-177.561.60000112L425 R426 R427S423-L425 PolarHBondContact O-N 3.17Å; S423-L425 VanDerWaalsContact O-N 3.15Å; S423-R426 WeakPolarHBondContact O-CA 3.48Å; S423-R426 WeakPolarHBondContact O-CB 3.38Å; S423-R426 PolarHBondContact O-N 3.17Å; S423-R427 PolarHBondContact O-N 3.4Å
424P69.2Low59.1Low95 Ų95119 Ų11962%0.61763%0.626SS**Hα-helixtrans-53.2-38.5-179.7-2935.8000113.1R426 R427 L428P424-R426 VanDerWaalsContact C-N 3.27Å; P424-R426 PolarHBondContact O-N 3.38Å; P424-R427 WeakPolarHBondContact O-CA 3.41Å; P424-R427 WeakPolarHBondContact O-CB 3.32Å; P424-R427 PolarHBondContact O-N 3.37Å; P424-L428 PolarHBondContact O-N 2.79Å
425L71.3Confident60.4Low101 Ų101117.9 Ų117.953%0.52961%0.613SS.*Hα-helixtrans-59.8-33.5175.9-146.375.3000113.1S423 R429S423-L425 PolarHBondContact O-N 3.17Å; S423-L425 VanDerWaalsContact O-N 3.15Å; L425-R429 WeakPolarHBondContact O-CG 3.36Å; L425-R429 PolarHBondContact O-N 3.33Å
426R66.8Low61.5Low132 Ų132115.2 Ų115.250%0.49860%0.6SS.*Hα-helixtrans-77.6-26.6176.4-155.7177.6-161.11775.3111.7V422 S423 P424 R430V422-R426 HydrophobicContact CG1-CB 3.89Å; V422-R426 HydrophobicContact CG1-CG 4.27Å; S423-R426 WeakPolarHBondContact O-CA 3.48Å; S423-R426 WeakPolarHBondContact O-CB 3.38Å; S423-R426 PolarHBondContact O-N 3.17Å; P424-R426 VanDerWaalsContact C-N 3.27Å; P424-R426 PolarHBondContact O-N 3.38Å; R426-R430 WeakPolarHBondContact O-CG 3.5Å; R426-R430 PolarHBondContact O-N 2.98Å
427R67.2Low62.2Low148 Ų148109.1 Ų109.156%0.55858%0.582SS**Hα-helixtrans-68.4-48.8167.5-50.7-164.2-49.1-156.58.9110.8V422 S423 P424 R429 R430 A431V422-R427 HydrophobicContact CG1-CG 4.3Å; S423-R427 PolarHBondContact O-N 3.4Å; P424-R427 WeakPolarHBondContact O-CA 3.41Å; P424-R427 WeakPolarHBondContact O-CB 3.32Å; P424-R427 PolarHBondContact O-N 3.37Å; R427-R429 PolarHBondContact O-N 3.26Å; R427-R430 WeakPolarHBondContact O-CB 3.43Å; R427-R430 PolarHBondContact O-N 3.3Å; R427-A431 PolarHBondContact O-N 2.72Å
428L72.8Confident63.2Low102 Ų102108.6 Ų108.653%0.53457%0.572SS.*Hα-helixtrans-59.4-45-179.7-169.668.5000112P424 R430 A431 N432P424-L428 PolarHBondContact O-N 2.79Å; L428-R430 VanDerWaalsContact C-N 3.31Å; L428-R430 PolarHBondContact O-N 3.03Å; L428-A431 PolarHBondContact O-N 3.28Å; L428-N432 PolarHBondContact O-N 3.16Å
429R73.1Confident64.3Low183 Ų183108.3 Ų108.369%0.69156%0.564SS**Hα-helixtrans-61.6-34.8174.1-71.9176.5-172.5173.83.6113.2L425 R427 S433L425-R429 WeakPolarHBondContact O-CG 3.36Å; L425-R429 PolarHBondContact O-N 3.33Å; R427-R429 PolarHBondContact O-N 3.26Å; R429-S433 WeakPolarHBondContact O-CB 3.39Å; R429-S433 PolarHBondContact O-N 3.3Å; R429-S433 VanDerWaalsContact O-N 3.16Å
430R69.9Low65.4Low171 Ų171107.7 Ų107.765%0.64555%0.551SS**Hα-helixtrans-69.9-42.8173.4-79-177.3174.5-173.3-1.1112R426 R427 L428 S433 M434R426-R430 WeakPolarHBondContact O-CG 3.5Å; R426-R430 PolarHBondContact O-N 2.98Å; R427-R430 WeakPolarHBondContact O-CB 3.43Å; R427-R430 PolarHBondContact O-N 3.3Å; L428-R430 VanDerWaalsContact C-N 3.31Å; L428-R430 PolarHBondContact O-N 3.03Å; R430-S433 WeakPolarHBondContact O-CB 3.25Å; R430-S433 PolarHBondContact O-N 2.93Å; R430-M434 WeakPolarHBondContact O-CG 3.37Å; R430-M434 PolarHBondContact O-N 3.15Å
431A68.5Low66.4Low40 Ų40107.5 Ų107.533%0.33155%0.545SS..Hα-helixtrans-59.1-50.2177.200000111.8R427 L428 S433 M434 L435R427-A431 PolarHBondContact O-N 2.72Å; L428-A431 PolarHBondContact O-N 3.28Å; A431-S433 VanDerWaalsContact C-N 3.28Å; A431-S433 PolarHBondContact O-N 3.31Å; A431-M434 PolarHBondContact O-N 2.99Å; A431-L435 PolarHBondContact O-N 3.19Å
432N71Confident66.8Low86 Ų86106.1 Ų106.146%0.4653%0.528SS..Hα-helixtrans-63.7-33.6177.7-68.77.1000112.3L428 M434 L435 N436L428-N432 PolarHBondContact O-N 3.16Å; N432-M434 VanDerWaalsContact C-N 3.32Å; N432-M434 PolarHBondContact O-N 3.43Å; N432-L435 PolarHBondContact O-N 3.21Å; N432-N436 PolarHBondContact O-N 2.84Å
433S71.3Confident67.4Low79 Ų79107 Ų10755%0.55254%0.54SS*.Hα-helixtrans-65.8-32.2173.5-169.30000113.1R429 R430 A431 S437R429-S433 WeakPolarHBondContact O-CB 3.39Å; R429-S433 PolarHBondContact O-N 3.3Å; R429-S433 VanDerWaalsContact O-N 3.16Å; R430-S433 WeakPolarHBondContact O-CB 3.25Å; R430-S433 PolarHBondContact O-N 2.93Å; A431-S433 VanDerWaalsContact C-N 3.28Å; A431-S433 PolarHBondContact O-N 3.31Å; S433-S437 PolarHBondContact O-N 3.12Å; S433-S437 PolarHBondContact O-OG 3.21Å
434M66.5Low67.3Low120 Ų120108.5 Ų108.559%0.59154%0.539SS*.Hα-helixtrans-76.2-38.9176-67.1-172.3-55.300111.9R430 A431 N432 N436 S437 L438R430-M434 WeakPolarHBondContact O-CG 3.37Å; R430-M434 PolarHBondContact O-N 3.15Å; A431-M434 PolarHBondContact O-N 2.99Å; N432-M434 VanDerWaalsContact C-N 3.32Å; N432-M434 PolarHBondContact O-N 3.43Å; M434-N436 PolarHBondContact O-N 3.41Å; M434-S437 WeakPolarHBondContact CA-OG 3.31Å; M434-S437 PolarHBondContact O-N 2.91Å; M434-S437 PolarHBondContact O-OG 3.41Å; M434-L438 WeakPolarHBondContact O-CG 3.44Å; M434-L438 PolarHBondContact O-N 2.97Å
435L69.6Low66.9Low100 Ų100109 Ų10952%0.52453%0.534SS..Hα-helixtrans-58.9-45.6173.4-71.2170.6000111.5A431 N432 S437 L438 L439A431-L435 PolarHBondContact O-N 3.19Å; N432-L435 PolarHBondContact O-N 3.21Å; L435-S437 VanDerWaalsContact C-N 3.31Å; L435-S437 PolarHBondContact O-N 3.41Å; L435-L438 PolarHBondContact O-N 3.22Å; L435-L438 VanDerWaalsContact O-N 3.16Å; L435-L439 PolarHBondContact O-N 3.26Å
436N66.5Low66.4Low112 Ų112106.8 Ų106.860%0.59953%0.53SS*.Hα-helixtrans-63-34.7176.5-72.91.7000113N432 M434 Y440N432-N436 PolarHBondContact O-N 2.84Å; M434-N436 PolarHBondContact O-N 3.41Å; N436-Y440 PolarHBondContact O-N 2.95Å
437S63.7Low66Low60 Ų60103.2 Ų103.242%0.4253%0.529SS..Hα-helixtrans-71.9-32.8173.953.60000113.3S433 M434 L435 Y440 I441S433-S437 PolarHBondContact O-N 3.12Å; S433-S437 PolarHBondContact O-OG 3.21Å; M434-S437 WeakPolarHBondContact CA-OG 3.31Å; M434-S437 PolarHBondContact O-N 2.91Å; M434-S437 PolarHBondContact O-OG 3.41Å; L435-S437 VanDerWaalsContact C-N 3.31Å; L435-S437 PolarHBondContact O-N 3.41Å; S437-Y440 PolarHBondContact O-N 3.41Å; S437-I441 WeakPolarHBondContact O-CD1 3.27Å; S437-I441 VanDerWaalsContact O-CG1 3.31Å; S437-I441 WeakPolarHBondContact O-CG1 3.44Å; S437-I441 PolarHBondContact O-N 3.44Å; S437-I441 VanDerWaalsContact O-N 3.16Å
438L62.4Low65.5Low106 Ų106100.7 Ų100.756%0.55553%0.526SS*.Hα-helixtrans-69.2-45.5176.2-73.7166.3000111.2M434 L435 Y440 I441 E442M434-L438 WeakPolarHBondContact O-CG 3.44Å; M434-L438 PolarHBondContact O-N 2.97Å; L435-L438 PolarHBondContact O-N 3.22Å; L435-L438 VanDerWaalsContact O-N 3.16Å; L438-Y440 VanDerWaalsContact C-N 3.25Å; L438-Y440 PolarHBondContact O-N 3.44Å; L438-I441 PolarHBondContact O-N 2.9Å; L438-I441 VanDerWaalsContact O-N 3.1Å; L438-E442 WeakPolarHBondContact O-CB 3.41Å; L438-E442 PolarHBondContact O-N 3.42Å
439L64.9Low64.7Low103 Ų10399.9 Ų99.954%0.53952%0.521SS..Hα-helixtrans-57.1-36.5173.7-84.7160.9000113L435 A443L435-L439 PolarHBondContact O-N 3.26Å; L439-A443 WeakPolarHBondContact O-CB 3.44Å; L439-A443 PolarHBondContact O-N 3.34Å; L439-A443 VanDerWaalsContact O-N 3.09Å
440Y63.8Low63.7Low158 Ų15895.3 Ų95.362%0.6251%0.514SS*.Hα-helixtrans-70.1-37.6176.2-172.5-95.3000112.7N436 S437 L438 Q444N436-Y440 PolarHBondContact O-N 2.95Å; S437-Y440 PolarHBondContact O-N 3.41Å; L438-Y440 VanDerWaalsContact C-N 3.25Å; L438-Y440 PolarHBondContact O-N 3.44Å; Y440-Q444 WeakPolarHBondContact O-CB 3.36Å; Y440-Q444 PolarHBondContact O-N 3.45Å
441I68.1Low62.7Low91 Ų9190.2 Ų90.247%0.46751%0.508SS..Hα-helixtrans-68.8-45.6175.4-67.3163.5000110.2S437 L438 A443 Q444 E445S437-I441 WeakPolarHBondContact O-CD1 3.27Å; S437-I441 VanDerWaalsContact O-CG1 3.31Å; S437-I441 WeakPolarHBondContact O-CG1 3.44Å; S437-I441 PolarHBondContact O-N 3.44Å; S437-I441 VanDerWaalsContact O-N 3.16Å; L438-I441 PolarHBondContact O-N 2.9Å; L438-I441 VanDerWaalsContact O-N 3.1Å; I441-A443 PolarHBondContact O-N 2.95Å; I441-Q444 CarbonylContact O-C 3.51Å; I441-Q444 PolarHBondContact O-N 3.06Å; I441-E445 WeakPolarHBondContact O-CB 3.42Å; I441-E445 PolarHBondContact O-N 3.17Å
442E60.2Low61.7Low124 Ų12495.3 Ų95.358%0.57953%0.525SS*.Hα-helixtrans-57.8-45.5178.6-176.8168.8-144.900112L438 Q444 E445 A446L438-E442 WeakPolarHBondContact O-CB 3.41Å; L438-E442 PolarHBondContact O-N 3.42Å; E442-Q444 VanDerWaalsContact C-N 3.32Å; E442-Q444 PolarHBondContact O-N 3.42Å; E442-E445 PolarHBondContact O-N 3.01Å; E442-A446 WeakPolarHBondContact O-CB 3.4Å; E442-A446 PolarHBondContact O-N 3.49Å
443A63.2Low60.6Low66 Ų6696 Ų9655%0.54553%0.533SS..Hα-helixtrans-64.1-33.9174.100000113.3L439 I441 A447L439-A443 WeakPolarHBondContact O-CB 3.44Å; L439-A443 PolarHBondContact O-N 3.34Å; L439-A443 VanDerWaalsContact O-N 3.09Å; I441-A443 PolarHBondContact O-N 2.95Å; A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 3.11Å
444Q64Low59.4Low101 Ų10199.9 Ų99.947%0.47254%0.542SS..Hα-helixtrans-79.5-32.7179.7-168.6168.191.400112.5Y440 I441 E442 N448Y440-Q444 WeakPolarHBondContact O-CB 3.36Å; Y440-Q444 PolarHBondContact O-N 3.45Å; I441-Q444 CarbonylContact O-C 3.51Å; I441-Q444 PolarHBondContact O-N 3.06Å; E442-Q444 VanDerWaalsContact C-N 3.32Å; E442-Q444 PolarHBondContact O-N 3.42Å; Q444-N448 PolarHBondContact O-N 3.17Å; Q444-N448 VanDerWaalsContact O-N 3.08Å; Q444-N448 PolarHBondContact O-ND2 3.1Å
445E61Low57.9Low106 Ų10698.8 Ų98.850%0.49555%0.546SS..Hα-helixtrans-72-43.9175-169.3163.9-149.200111I441 E442 A447 N448 I449I441-E445 WeakPolarHBondContact O-CB 3.42Å; I441-E445 PolarHBondContact O-N 3.17Å; E442-E445 PolarHBondContact O-N 3.01Å; E445-A447 VanDerWaalsContact C-N 3.34Å; E445-A447 PolarHBondContact O-N 3.41Å; E445-N448 PolarHBondContact O-N 3.28Å; E445-N448 VanDerWaalsContact O-N 3.17Å; E445-I449 HydrophobicContact CG-CD1 4.31Å; E445-I449 WeakPolarHBondContact O-CG1 3.4Å; E445-I449 PolarHBondContact O-N 2.99Å
446A60.1Low56.2Low54 Ų5497.8 Ų97.845%0.44656%0.56SS.*Hα-helixtrans-57.4-44.8171.800000112.1E442 N448 I449 T450E442-A446 WeakPolarHBondContact O-CB 3.4Å; E442-A446 PolarHBondContact O-N 3.49Å; A446-N448 VanDerWaalsContact C-N 3.35Å; A446-N448 PolarHBondContact O-N 3.05Å; A446-I449 PolarHBondContact O-N 3.24Å; A446-T450 PolarHBondContact O-N 3.24Å; A446-T450 VanDerWaalsContact O-N 3.1Å; A446-T450 PolarHBondContact O-OG1 3.33Å; A446-T450 VanDerWaalsContact O-OG1 3.06Å
447A58.7Low54.4Low58 Ų5896.7 Ų96.748%0.47958%0.575SS.*Hα-helixtrans-62.6-38.517600000112.9A443 E445 A451A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 3.11Å; E445-A447 VanDerWaalsContact C-N 3.34Å; E445-A447 PolarHBondContact O-N 3.41Å; A447-A451 WeakPolarHBondContact O-CB 3.31Å; A447-A451 PolarHBondContact O-N 2.9Å
448N55.6Low52.8Low94 Ų9498 Ų9850%0.50360%0.598SS.*Hα-helixtrans-68.8-38.3176.6-79.9-29.2000112.7Q444 E445 A446 A451 Q452Q444-N448 PolarHBondContact O-N 3.17Å; Q444-N448 VanDerWaalsContact O-N 3.08Å; Q444-N448 PolarHBondContact O-ND2 3.1Å; E445-N448 PolarHBondContact O-N 3.28Å; E445-N448 VanDerWaalsContact O-N 3.17Å; A446-N448 VanDerWaalsContact C-N 3.35Å; A446-N448 PolarHBondContact O-N 3.05Å; N448-A451 PolarHBondContact O-N 3.2Å; N448-Q452 WeakPolarHBondContact O-CG 3.42Å; N448-Q452 PolarHBondContact O-N 3.21Å
449I55.6Low51.2Low85 Ų8596.8 Ų96.844%0.43661%0.612SS.*Hα-helixtrans-62.4-48.4175.6-67.9163.9000109.9E445 A446 A451 Q452 T453E445-I449 HydrophobicContact CG-CD1 4.31Å; E445-I449 WeakPolarHBondContact O-CG1 3.4Å; E445-I449 PolarHBondContact O-N 2.99Å; A446-I449 PolarHBondContact O-N 3.24Å; I449-A451 PolarHBondContact O-N 3.47Å; I449-Q452 PolarHBondContact O-N 3.04Å; I449-Q452 VanDerWaalsContact O-N 3.11Å; I449-T453 PolarHBondContact O-N 2.99Å; I449-T453 PolarHBondContact O-OG1 2.98Å
450T53.4Low49.7Very low87 Ų8799.3 Ų99.353%0.53463%0.625SS.*Hα-helixtrans-61.9-29.9176.1-48.80000112.8A446 T453 H454A446-T450 PolarHBondContact O-N 3.24Å; A446-T450 VanDerWaalsContact O-N 3.1Å; A446-T450 PolarHBondContact O-OG1 3.33Å; A446-T450 VanDerWaalsContact O-OG1 3.06Å; T450-T453 PolarHBondContact O-OG1 2.99Å; T450-H454 PolarHBondContact O-CD2 3.32Å
451A49.3Very low48.4Very low64 Ų6497.7 Ų97.753%0.52963%0.633SS.*Hα-helixtrans-75.2-31.2174.800000113.3A447 N448 I449A447-A451 WeakPolarHBondContact O-CB 3.31Å; A447-A451 PolarHBondContact O-N 2.9Å; N448-A451 PolarHBondContact O-N 3.2Å; I449-A451 PolarHBondContact O-N 3.47Å
452Q46.9Very low46.8Very low147 Ų14798.1 Ų98.169%0.68764%0.641SS**Hα-helixtrans-78.1-30.1179-74.6-178.3-4.100113.2N448 I449 H454 S455N448-Q452 WeakPolarHBondContact O-CG 3.42Å; N448-Q452 PolarHBondContact O-N 3.21Å; I449-Q452 PolarHBondContact O-N 3.04Å; I449-Q452 VanDerWaalsContact O-N 3.11Å; Q452-H454 PolarHBondContact O-N 3.49Å; Q452-S455 PolarHBondContact O-N 2.76Å
453T47.1Very low45.5Very low101 Ų101100.3 Ų100.362%0.6266%0.656SS**THydrogen-bonded Turntrans-66.80.8178.544.60000115.2I449 T450I449-T453 PolarHBondContact O-N 2.99Å; I449-T453 PolarHBondContact O-OG1 2.98Å; T450-T453 PolarHBondContact O-OG1 2.99Å
454H45.9Very low44Very low160 Ų160104.8 Ų104.874%0.74167%0.669SS**THydrogen-bonded Turntrans-117.29.3179.1-66.9-52000114.6T450 Q452T450-H454 PolarHBondContact O-CD2 3.32Å; Q452-H454 PolarHBondContact O-N 3.49Å
455S36.5Very low42.3Very low97 Ų97104.3 Ų104.368%0.67868%0.677SS**SBendtrans-145.170.6-177.962.30000114.4Q452Q452-S455 PolarHBondContact O-N 2.76Å
456G32.8Very low40.9Very low80 Ų80107 Ų10783%0.82570%0.695SS**  trans158.1101.4171.900000111.7
457G29.7Very low39.3Very low88 Ų88109.2 Ų109.291%0.90771%0.707SS**  trans-95.4152.8-177.600000113.9
458G28.7Very low38Very low88 Ų88111.6 Ų111.691%0.90772%0.72SS**  trans135.2100.9168.300000113.8
459G29.4Very low37Very low81 Ų81112 Ų11284%0.83573%0.73SS**  trans109.284.7168.100000115.9
460L33.3Very low36Very low155 Ų155115.7 Ų115.781%0.81275%0.75SS**  trans-123.8152.8155.4-87.8169.1000107.5
461P36.5Very low35.3Very low124 Ų124116.3 Ų116.381%0.80576%0.756SS**  -126114.3101.534.5-29.5000114.1
462T34.1Very low34.6Very low101 Ų101119.7 Ų119.762%0.6276%0.764SS**  41101.6114-41.40000118.4L464T462-L464 HydrophobicContact CG2-CB 4.48Å
463L32.7Very low33.9Very low170 Ų170119.6 Ų119.689%0.8977%0.768SS**  trans-65134.2142.2-66.2166.3000108.8
464L31.7Very low33.4Very low159 Ų159119.2 Ų119.283%0.83277%0.77SS**  trans-170.5147.9146.1-107.6161000112.9T462T462-L464 HydrophobicContact CG2-CB 4.48Å
465S29.1Very low33Very low92 Ų92118.2 Ų118.264%0.64377%0.77SS**  trans-66.8156.2-179.2-39.90000114
466N31.2Very low33.4Very low161 Ų161120.7 Ų120.786%0.86178%0.776SS**  -177.4170.7109.6-91.9-16.2000114.7
467S28.1Very low33.7Very low102 Ų102124.6 Ų124.671%0.71378%0.778SS**  trans-92.4167-165-46.70000115.7
468S29.6Very low34.1Very low107 Ų107128.2 Ų128.275%0.74878%0.776SS**  trans75.5142142.250.10000122.7
469S34.7Very low34.6Very low102 Ų102131.7 Ų131.771%0.71377%0.769SS**  trans63.5105.1154.750.70000121.3
470L35.4Very low35.1Very low163 Ų163134 Ų13485%0.85376%0.762SS**  45.1158.8103.3-66.8179.7000120.6
471P39.1Very low35.3Very low100 Ų100132.2 Ų132.265%0.64975%0.754SS**  cis-138.4-157.1-12.827.5-1.2000113.6
472L33.4Very low35.2Very low136 Ų136132.7 Ų132.771%0.71275%0.749SS**  trans87.5107.3159.8-55.8164.2000116.4
473N32Very low35Very low144 Ų144138.8 Ų138.877%0.7776%0.761SS**  86143.895.7-70.521.9000112
474S38.2Very low34.9Very low94 Ų94138.5 Ų138.566%0.65776%0.759SS**  cis-149.1139.619.750.70000113.7
475D37.3Very low34.8Very low139 Ų139136.6 Ų136.674%0.74376%0.755SS**  trans63159.3131.1-45.4-21.1000123.3
476D44.1Very low35Very low149 Ų149143.5 Ų143.580%0.79777%0.766SS**  trans67.382.8164.3-60.3-11.5000120.9
477D38.4Very low35Very low161 Ų161144.7 Ų144.786%0.86177%0.767SS**  10.6117.7120.5-60.5-17.4000118
478N38.9Very low35.3Very low164 Ų164144.7 Ų144.788%0.87777%0.767SS**  -154.1151.8116.1-147.7-6.6000112
479E38.6Very low35.3Very low162 Ų162144.7 Ų144.776%0.75777%0.767SS**  trans-84.2178.9173.4-97.5-73.6-172.200112.1
480D40.6Very low35.3Very low129 Ų129148 Ų14869%0.6978%0.776SS**  trans85.6139148.6-113.4-29.1000120.9
481N38.3Very low34.9Very low118 Ų118147.8 Ų147.863%0.63177%0.77SS**  trans67.781.3157.3-67.2-60.5000122.2
482N33.7Very low34.4Very low133 Ų133151.9 Ų151.971%0.71178%0.778SS**  56.7128.2110.2-81.5-59.8000121.6
483R28.8Very low34.1Very low229 Ų229150.6 Ų150.686%0.86478%0.781SS**  trans55.6110.2149-70.2176.1143.2-146-2.4117.6
484L32.2Very low34.1Very low164 Ų164151.1 Ų151.186%0.85978%0.778SS**  -153.9118.6126.7-107.9157.7000112
485T29.7Very low33.6Very low120 Ų120155.3 Ų155.374%0.73679%0.788SS**  trans11.6125.715454.90000119.7
486R33.3Very low33.3Very low236 Ų236156 Ų15689%0.89179%0.79SS**  trans-139.970150.1-160.2172.8-172163.83.8112.9
487E29.6Very low32.5Very low187 Ų187154 Ų15487%0.87479%0.785SS**  trans-67.9134.5155.1-66.2-171.5149.300109.3
488S35.9Very low32.4Very low101 Ų101152.5 Ų152.571%0.70678%0.776SS**  trans-162.789.8165.8-74.50000108.1L490S488-L490 PolarHBondContact O-N 3.29Å
489S28.1Very low31.9Very low108 Ų108151.4 Ų151.476%0.75577%0.766SS**  trans-62.6132.6178.5178.80000111.5
490L34.8Very low31.8Very low171 Ų171153.4 Ų153.490%0.89577%0.768SS**  trans-141.2111.2141.7-98.9-178.1000109.8S488S488-L490 PolarHBondContact O-N 3.29Å
491Q27.2Very low31.7Very low158 Ų158154.6 Ų154.674%0.73877%0.767SS**  trans-85.8125.8-176.8-177.9179.717.300110.1
492F30.1Very low31.7Very low186 Ų186156.4 Ų156.482%0.81678%0.777SS**  trans-144.589.8168.9-124.6-81.5000112.4Q494F492-Q494 PolarHBondContact O-N 3.1Å
493S27.1Very low32Very low109 Ų109155.6 Ų155.676%0.76278%0.781SS**  trans-76.7115.5166.1-55.60000109.3
494Q31.1Very low32.6Very low155 Ų155150 Ų15072%0.72478%0.776SS**  trans-152135.9156.8-151.3158.935.300112.9F492 L496F492-Q494 PolarHBondContact O-N 3.1Å; Q494-L496 PolarHBondContact O-N 2.85Å
495E27Very low33.4Very low183 Ų183146.1 Ų146.186%0.85576%0.756SS**  trans-61.2120.5168.1-58.5161.9107.200109.2P497E495-P497 WeakPolarHBondContact O-CD 3.42Å
496L31.4Very low34.1Very low152 Ų152143.4 Ų143.480%0.79674%0.742SS**  trans-107.4102.5172.1-79175.2000110Q494 I498Q494-L496 PolarHBondContact O-N 2.85Å; L496-I498 PolarHBondContact O-N 3.16Å
497P27.5Very low35.2Very low107 Ų107136.2 Ų136.270%0.69572%0.724SS**  trans-68.8119.6176.528-33.1000109.3E495 Q499E495-P497 WeakPolarHBondContact O-CD 3.42Å; P497-Q499 PolarHBondContact O-N 3.43Å
498I35.8Very low36.9Very low130 Ų130132 Ų13267%0.66772%0.721SS**  trans-67.497.1175.9-58.9178.5000108.5L496 Y500L496-I498 PolarHBondContact O-N 3.16Å; I498-Y500 VanDerWaalsContact C-N 3.32Å; I498-Y500 HydrophobicContact CB-CD2 4.39Å; I498-Y500 HydrophobicContact CB-CE2 4.1Å; I498-Y500 HydrophobicContact CG2-CD2 3.82Å; I498-Y500 HydrophobicContact CG2-CE1 4.43Å; I498-Y500 HydrophobicContact CG2-CE2 3.51Å; I498-Y500 HydrophobicContact CG2-CG 4.41Å; I498-Y500 PolarHBondContact O-N 3.09Å
499Q29.2Very low38.7Very low142 Ų142128.3 Ų128.366%0.66469%0.693SS**  trans-65.490.3171.6-71.3-170.5-5.700109.8P497 K501P497-Q499 PolarHBondContact O-N 3.43Å; Q499-K501 HydrophobicContact CB-CG 4.38Å; Q499-K501 PolarHBondContact O-N 3.42Å
500Y36.4Very low40.9Very low204 Ų204127 Ų12780%0.868%0.684SS**  trans-68.973.6165.7-78.1-76.7000110.4I498 D502I498-Y500 VanDerWaalsContact C-N 3.32Å; I498-Y500 HydrophobicContact CB-CD2 4.39Å; I498-Y500 HydrophobicContact CB-CE2 4.1Å; I498-Y500 HydrophobicContact CG2-CD2 3.82Å; I498-Y500 HydrophobicContact CG2-CE1 4.43Å; I498-Y500 HydrophobicContact CG2-CE2 3.51Å; I498-Y500 HydrophobicContact CG2-CG 4.41Å; I498-Y500 PolarHBondContact O-N 3.09Å; Y500-D502 PolarHBondContact O-N 3.45Å
501K38.6Very low42.8Very low154 Ų154129.7 Ų129.767%0.6768%0.682SS**  trans-63.9101173.1-74.9176.9177.5164.90110.4Q499 S503Q499-K501 HydrophobicContact CB-CG 4.38Å; Q499-K501 PolarHBondContact O-N 3.42Å; K501-S503 PolarHBondContact O-N 2.98Å
502D38.1Very low45.3Very low156 Ų156125.1 Ų125.183%0.83467%0.671SS**  trans41.133.8145.9-56.5-36.5000117.6Y500 C504Y500-D502 PolarHBondContact O-N 3.45Å; D502-C504 PolarHBondContact O-N 3.34Å; D502-C504 VanDerWaalsContact O-N 3.1Å
503S40.4Very low47.5Very low115 Ų115119.1 Ų119.180%0.80465%0.646SS**  trans-8296.1178.8-161.30000109.1K501K501-S503 PolarHBondContact O-N 2.98Å
504C40.9Very low50.2Low111 Ų111118.1 Ų118.175%0.7563%0.625SS**  trans-44.1144.4178.8-57.50000112.4D502 S506D502-C504 PolarHBondContact O-N 3.34Å; D502-C504 VanDerWaalsContact O-N 3.1Å; C504-S506 WeakPolarHBondContact O-CA 3.45Å; C504-S506 PolarHBondContact O-N 2.89Å
505L49.8Very low52.7Low83 Ų83118.3 Ų118.344%0.43562%0.619SS.*  trans-49.790.8-179.1-71.5170000112.6
506S44.1Very low55.4Low64 Ų64116.4 Ų116.445%0.44860%0.604SS.*  trans-66141.2-164.6-178.40000112.5C504 A508 M509C504-S506 WeakPolarHBondContact O-CA 3.45Å; C504-S506 PolarHBondContact O-N 2.89Å; S506-A508 PolarHBondContact O-N 3.33Å; S506-A508 VanDerWaalsContact O-N 3.15Å; S506-M509 WeakPolarHBondContact O-CB 3.45Å; S506-M509 PolarHBondContact O-N 3.16Å
507V55.7Low57.8Low84 Ų84115.1 Ų115.151%0.50959%0.589SS.*THydrogen-bonded Turntrans-58.9-29.5-178-177.50000111.8M509 R514V507-M509 PolarHBondContact O-N 2.8Å; V507-R514 PolarHBondContact O-NH2 3.33Å
508A66.5Low60.6Low98 Ų98116 Ų11681%0.8158%0.578SS**THydrogen-bonded Turntrans-64-16.3175.600000114.4S506S506-A508 PolarHBondContact O-N 3.33Å; S506-A508 VanDerWaalsContact O-N 3.15Å
509M73.2Confident62.9Low25 Ų25112.9 Ų112.912%0.12356%0.561CS.*SBendtrans-76.6132.3176.8-65171.164.700111.6S506 V507 E513 R514 R517S506-M509 WeakPolarHBondContact O-CB 3.45Å; S506-M509 PolarHBondContact O-N 3.16Å; V507-M509 PolarHBondContact O-N 2.8Å; M509-E513 HydrophobicContact CE-CB 4.43Å; M509-E513 HydrophobicContact CE-CG 3.8Å; M509-R514 HydrophobicContact CB-CG 3.58Å; M509-R514 HydrophobicContact CE-CG 4.17Å; M509-R514 PolarHBondContact O-NE 3.05Å; M509-R514 PolarHBondContact O-NH2 3.23Å; M509-R514 HydrophobicContact SD-CG 4.43Å; M509-R517 HydrophobicContact CE-CB 4.31Å; M509-R517 HydrophobicContact CE-CG 3.87Å
510S74.6Confident65.5Low81 Ų81110.9 Ų110.957%0.56655%0.554SS**  trans-54.5151.2169.51750000112.2A512 E513 R514S510-A512 VanDerWaalsContact C-N 3.25Å; S510-A512 PolarHBondContact O-N 3.3Å; S510-E513 WeakPolarHBondContact O-CB 3.49Å; S510-E513 PolarHBondContact O-N 3.43Å; S510-R514 PolarHBondContact O-N 3.08Å
511R74.8Confident67.6Low227 Ų227106.4 Ų106.486%0.85754%0.544SS*.Hα-helixtrans-55.9-38.5178.7-178.3174.2176.5152.6-2.6112.8W515R511-W515 PolarHBondContact O-N 3.23Å
512A79.1Confident69.7Low62 Ų62104 Ų10451%0.51254%0.535SS..Hα-helixtrans-66.6-41.1175.500000111.7S510 W515 R516S510-A512 VanDerWaalsContact C-N 3.25Å; S510-A512 PolarHBondContact O-N 3.3Å; A512-W515 PolarHBondContact O-N 2.93Å; A512-R516 PolarHBondContact O-N 3.41Å
513E77.1Confident71.6Confident60 Ų60101.7 Ų101.728%0.2852%0.519SS..Hα-helixtrans-68.7-38.5-179.5-171.260.5-164.500112.1M509 S510 W515 R516 R517M509-E513 HydrophobicContact CE-CB 4.43Å; M509-E513 HydrophobicContact CE-CG 3.8Å; S510-E513 WeakPolarHBondContact O-CB 3.49Å; S510-E513 PolarHBondContact O-N 3.43Å; E513-W515 VanDerWaalsContact C-N 3.29Å; E513-W515 PolarHBondContact O-N 3.42Å; E513-R516 PolarHBondContact O-N 3.13Å; E513-R516 IonicContact OE2-CZ 2.72Å; E513-R516 IonicContact OE2-NH1 3.95Å; E513-R516 PolarHBondContact OE2-NH1 3.43Å; E513-R517 PolarHBondContact O-N 3.06Å; E513-R517 IonicContact OE1-NE 3.44Å; E513-R517 IonicContact OE1-NH2 2.73Å
514R83Confident73.3Confident88 Ų8898.7 Ų98.733%0.33250%0.501SS..Hα-helixtrans-66.1-29.6171.5-61.6-170.7-143.51738.3112.9V507 M509 S510 R518V507-R514 PolarHBondContact O-NH2 3.33Å; M509-R514 HydrophobicContact CB-CG 3.58Å; M509-R514 HydrophobicContact CE-CG 4.17Å; M509-R514 PolarHBondContact O-NE 3.05Å; M509-R514 PolarHBondContact O-NH2 3.23Å; M509-R514 HydrophobicContact SD-CG 4.43Å; S510-R514 PolarHBondContact O-N 3.08Å; R514-R518 PolarHBondContact O-N 3.03Å
515W83.4Confident74.9Confident158 Ų15896.5 Ų96.560%0.59849%0.487SS*.Hα-helixtrans-76.3-45.8175.1-177.184.4000111.5R511 A512 E513 R517 R518 Q519R511-W515 PolarHBondContact O-N 3.23Å; A512-W515 PolarHBondContact O-N 2.93Å; E513-W515 VanDerWaalsContact C-N 3.29Å; E513-W515 PolarHBondContact O-N 3.42Å; W515-R517 PolarHBondContact O-N 2.91Å; W515-R518 WeakPolarHBondContact O-CA 3.44Å; W515-R518 WeakPolarHBondContact O-CB 3.46Å; W515-R518 PolarHBondContact O-N 2.95Å; W515-Q519 HydrophobicContact CD2-CG 4.3Å; W515-Q519 HydrophobicContact CE3-CG 4.28Å; W515-Q519 HydrophobicContact CH2-CG 4.03Å; W515-Q519 HydrophobicContact CZ2-CG 4.04Å; W515-Q519 HydrophobicContact CZ3-CG 4.15Å; W515-Q519 PolarHBondContact O-N 3.18Å
516R83.4Confident75.8Confident143 Ų14398.6 Ų98.654%0.5450%0.498SS..Hα-helixtrans-56.2-46.3174.7-176.7-175.8-73135.6-10112.1A512 E513 R518 Q519 L520A512-R516 PolarHBondContact O-N 3.41Å; E513-R516 PolarHBondContact O-N 3.13Å; E513-R516 IonicContact OE2-CZ 2.72Å; E513-R516 IonicContact OE2-NH1 3.95Å; E513-R516 PolarHBondContact OE2-NH1 3.43Å; R516-R518 VanDerWaalsContact C-N 3.25Å; R516-R518 PolarHBondContact O-N 3.28Å; R516-Q519 PolarHBondContact O-N 3.04Å; R516-L520 HydrophobicContact CG-CD1 4.41Å; R516-L520 PolarHBondContact O-N 2.95Å; R516-L520 VanDerWaalsContact O-N 3.15Å
517R82.5Confident76.6Confident125 Ų12599 Ų9947%0.47250%0.501SS..Hα-helixtrans-67.3-22.3174.6-68-154.8-163.6169.70.7114M509 E513 W515 L521M509-R517 HydrophobicContact CE-CB 4.31Å; M509-R517 HydrophobicContact CE-CG 3.87Å; E513-R517 PolarHBondContact O-N 3.06Å; E513-R517 IonicContact OE1-NE 3.44Å; E513-R517 IonicContact OE1-NH2 2.73Å; W515-R517 PolarHBondContact O-N 2.91Å; R517-L521 WeakPolarHBondContact O-CB 3.37Å; R517-L521 WeakPolarHBondContact O-CD1 3.28Å; R517-L521 VanDerWaalsContact O-CG 3.23Å; R517-L521 WeakPolarHBondContact O-CG 3.48Å; R517-L521 PolarHBondContact O-N 3.05Å
518R85.9Confident76.2Confident125 Ų125101.9 Ų101.947%0.47251%0.509SS..Hα-helixtrans-72.9-44.6172.2-176.5175.8-61.4150.74111.2R514 W515 R516 L521 E522R514-R518 PolarHBondContact O-N 3.03Å; W515-R518 WeakPolarHBondContact O-CA 3.44Å; W515-R518 WeakPolarHBondContact O-CB 3.46Å; W515-R518 PolarHBondContact O-N 2.95Å; R516-R518 VanDerWaalsContact C-N 3.25Å; R516-R518 PolarHBondContact O-N 3.28Å; R518-L521 PolarHBondContact O-N 3.24Å; R518-L521 VanDerWaalsContact O-N 3.14Å; R518-E522 VanDerWaalsContact CD-OE1 3.23Å; R518-E522 WeakPolarHBondContact CD-OE1 3.37Å; R518-E522 HydrophobicContact CG-CG 4.34Å; R518-E522 WeakPolarHBondContact CG-OE1 3.49Å; R518-E522 WeakPolarHBondContact O-CG 3.48Å; R518-E522 PolarHBondContact O-N 3.02Å
519Q83.9Confident75.6Confident66 Ų66105.2 Ų105.231%0.30851%0.505SS..Hα-helixtrans-57.4-51.2175.9-65.4-68.528.500111.3W515 R516 L521 E522 E523W515-Q519 HydrophobicContact CD2-CG 4.3Å; W515-Q519 HydrophobicContact CE3-CG 4.28Å; W515-Q519 HydrophobicContact CH2-CG 4.03Å; W515-Q519 HydrophobicContact CZ2-CG 4.04Å; W515-Q519 HydrophobicContact CZ3-CG 4.15Å; W515-Q519 PolarHBondContact O-N 3.18Å; R516-Q519 PolarHBondContact O-N 3.04Å; Q519-L521 PolarHBondContact O-N 3.38Å; Q519-L521 VanDerWaalsContact O-N 3.13Å; Q519-E522 PolarHBondContact O-N 3.33Å; Q519-E523 WeakPolarHBondContact O-CB 3.47Å; Q519-E523 WeakPolarHBondContact O-CG 3.45Å; Q519-E523 PolarHBondContact O-N 3.07Å
520L83.9Confident74.5Confident100 Ų100108.1 Ų108.152%0.52453%0.528SS..Hα-helixtrans-56.9-32176.6-69.3167.9000113.6R516 A524R516-L520 HydrophobicContact CG-CD1 4.41Å; R516-L520 PolarHBondContact O-N 2.95Å; R516-L520 VanDerWaalsContact O-N 3.15Å; L520-A524 WeakPolarHBondContact O-CB 3.46Å; L520-A524 PolarHBondContact O-N 3.03Å
521L81.4Confident73Confident110 Ų110109.4 Ų109.458%0.57653%0.533SS*.Hα-helixtrans-78.9-33175.3-74.4170.5000112.9R517 R518 Q519 S525R517-L521 WeakPolarHBondContact O-CB 3.37Å; R517-L521 WeakPolarHBondContact O-CD1 3.28Å; R517-L521 VanDerWaalsContact O-CG 3.23Å; R517-L521 WeakPolarHBondContact O-CG 3.48Å; R517-L521 PolarHBondContact O-N 3.05Å; R518-L521 PolarHBondContact O-N 3.24Å; R518-L521 VanDerWaalsContact O-N 3.14Å; Q519-L521 PolarHBondContact O-N 3.38Å; Q519-L521 VanDerWaalsContact O-N 3.13Å; L521-S525 VanDerWaalsContact O-CB 3.29Å; L521-S525 WeakPolarHBondContact O-CB 3.35Å; L521-S525 PolarHBondContact O-N 3.1Å; L521-S525 PolarHBondContact O-OG 2.92Å
522E81.4Confident71.6Confident103 Ų103106.5 Ų106.548%0.48153%0.529SS..Hα-helixtrans-71.5-43174.4-72.1177.8-155.200110.5R518 Q519 S525 L526R518-E522 VanDerWaalsContact CD-OE1 3.23Å; R518-E522 WeakPolarHBondContact CD-OE1 3.37Å; R518-E522 HydrophobicContact CG-CG 4.34Å; R518-E522 WeakPolarHBondContact CG-OE1 3.49Å; R518-E522 WeakPolarHBondContact O-CG 3.48Å; R518-E522 PolarHBondContact O-N 3.02Å; Q519-E522 PolarHBondContact O-N 3.33Å; E522-S525 WeakPolarHBondContact O-CB 3.4Å; E522-S525 PolarHBondContact O-N 2.73Å; E522-L526 WeakPolarHBondContact O-CG 3.47Å; E522-L526 PolarHBondContact O-N 3.39Å
523E79.5Confident69.9Low107 Ų107110.4 Ų110.450%0.554%0.54SS..Hα-helixtrans-59.7-50.5171.3-71.1159.7-165.500112.3Q519 S525 L526 S527Q519-E523 WeakPolarHBondContact O-CB 3.47Å; Q519-E523 WeakPolarHBondContact O-CG 3.45Å; Q519-E523 PolarHBondContact O-N 3.07Å; E523-S525 PolarHBondContact O-N 3.45Å; E523-L526 PolarHBondContact O-N 3.46Å; E523-L526 VanDerWaalsContact O-N 3.1Å; E523-S527 PolarHBondContact O-N 2.83Å
524A75.9Confident68.2Low52 Ų52112.8 Ų112.843%0.4356%0.563SS.*Hα-helixtrans-63.5-27.4176.500000113L520L520-A524 WeakPolarHBondContact O-CB 3.46Å; L520-A524 PolarHBondContact O-N 3.03Å
525S74.5Confident66Low66 Ų66115.9 Ų115.946%0.46259%0.586SS.*Hα-helixtrans-76-33.8173.6-61.70000112.5L521 E522 E523 F529L521-S525 VanDerWaalsContact O-CB 3.29Å; L521-S525 WeakPolarHBondContact O-CB 3.35Å; L521-S525 PolarHBondContact O-N 3.1Å; L521-S525 PolarHBondContact O-OG 2.92Å; E522-S525 WeakPolarHBondContact O-CB 3.4Å; E522-S525 PolarHBondContact O-N 2.73Å; E523-S525 PolarHBondContact O-N 3.45Å; S525-F529 WeakPolarHBondContact O-CD2 3.46Å
526L68.1Low63.9Low126 Ų126115.4 Ų115.466%0.6659%0.594SS**Hα-helixtrans-74.2-37.7176.3-72.1166.3000112E522 E523 Q528 F529E522-L526 WeakPolarHBondContact O-CG 3.47Å; E522-L526 PolarHBondContact O-N 3.39Å; E523-L526 PolarHBondContact O-N 3.46Å; E523-L526 VanDerWaalsContact O-N 3.1Å; L526-Q528 PolarHBondContact O-N 2.76Å; L526-F529 PolarHBondContact O-N 3.25Å
527S60.3Low61.6Low73 Ų73117.7 Ų117.751%0.5161%0.611SS.*Hα-helixtrans-55.5-33.6178.3-174.80000113.3E523 F529 S530E523-S527 PolarHBondContact O-N 2.83Å; S527-F529 PolarHBondContact O-N 3.07Å; S527-F529 VanDerWaalsContact O-N 3.09Å; S527-S530 PolarHBondContact O-N 3.33Å; S527-S530 VanDerWaalsContact O-N 3.1Å
528Q47.8Very low59.1Low144 Ų144117.3 Ų117.367%0.67363%0.627SS**THydrogen-bonded Turntrans-63.3-14.7177.5-66.1179.930.300114.5L526L526-Q528 PolarHBondContact O-N 2.76Å
529F53.6Low56.6Low168 Ų168119.6 Ų119.674%0.73765%0.649SS**THydrogen-bonded Turntrans-98-8177.1-67.2-81.9000114S525 L526 S527S525-F529 WeakPolarHBondContact O-CD2 3.46Å; L526-F529 PolarHBondContact O-N 3.25Å; S527-F529 PolarHBondContact O-N 3.07Å; S527-F529 VanDerWaalsContact O-N 3.09Å
530S51.1Low54.2Low87 Ų87122 Ų12261%0.60867%0.672SS**THydrogen-bonded Turntrans-87-34.1-176.2-160.60000113.1S527 Q532S527-S530 PolarHBondContact O-N 3.33Å; S527-S530 VanDerWaalsContact O-N 3.1Å; S530-Q532 VanDerWaalsContact C-N 3.31Å; S530-Q532 PolarHBondContact O-N 3.37Å; S530-Q532 VanDerWaalsContact O-N 3.13Å
531T42.3Very low52Low107 Ų107123.6 Ų123.666%0.65669%0.686SS**THydrogen-bonded Turntrans-79.911-165.940.70000116.8
532Q45.4Very low49.6Very low167 Ų167125.6 Ų125.678%0.7869%0.692SS**THydrogen-bonded Turntrans-109.3-1.7178.2-69-163.5-6.400115.5S530S530-Q532 VanDerWaalsContact C-N 3.31Å; S530-Q532 PolarHBondContact O-N 3.37Å; S530-Q532 VanDerWaalsContact O-N 3.13Å
533I43.6Very low47.5Very low143 Ų143128.6 Ų128.673%0.73371%0.71SS**SBendtrans-93.5-25.2-170.4-61177.7000113.1N535I533-N535 PolarHBondContact O-N 3.38Å
534S41.5Very low45.4Very low111 Ų111128.8 Ų128.878%0.77671%0.714SS**SBendtrans-79.8-9.7-170.749.80000116.2
535N37.1Very low43.4Very low152 Ų152132.6 Ų132.681%0.81373%0.727SS**SBendtrans-102.923.2-162.1-1433.6000115I533I533-N535 PolarHBondContact O-N 3.38Å
536I38.5Very low41.5Very low148 Ų148135.5 Ų135.576%0.75974%0.738SS**SBendtrans-139.347.8-175.3-37.3179.9000113.1
537Q35.1Very low40Very low192 Ų192136.2 Ų136.290%0.89774%0.742SS**  trans-164.175.5162.2-116.9167.119.100113.6
538S31.2Very low38.8Very low116 Ų116139.4 Ų139.481%0.81175%0.752SS**  trans-160.6106.4166.3-80.10000110.6
539N33.4Very low38.1Very low174 Ų174139.3 Ų139.393%0.9376%0.756SS**  trans-175.2103.7169.4-104.9-28.6000110.7
540S33.5Very low37.2Very low115 Ų115139.4 Ų139.480%0.80476%0.758SS**  trans-176.3151.5146.9-159.20000112.3
541V36.2Very low36.2Very low134 Ų134141 Ų14181%0.81276%0.76SS**  trans73.1102.4167.9-161.60000118.3
542H32.6Very low36Very low152 Ų152143.1 Ų143.170%0.70477%0.773SS**  trans-46.4157.2162.9-81.4-103.6000116.3N544H542-N544 PolarHBondContact ND1-OD1 3.26Å
543I35.8Very low35.3Very low167 Ų167141.6 Ų141.686%0.85677%0.77SS**  -155.6125.5103.1-91.6149.6000111.4
544N35.6Very low35Very low110 Ų110140.1 Ų140.159%0.58877%0.77SS**  trans-37.7157.4164.6-49.8-1.3000114H542H542-N544 PolarHBondContact ND1-OD1 3.26Å
545N33.6Very low34.7Very low132 Ų132140.7 Ų140.771%0.70677%0.773SS**  cis-156.1-165.13.3-126.234.5000107.6
546D35.1Very low34.5Very low127 Ų127139.5 Ų139.568%0.67977%0.772SS**  cis-157.8-159.614.1-145.2-64.6000110.4
547L36.2Very low34.1Very low141 Ų141137.9 Ų137.974%0.73877%0.771SS**  trans77.277.7157.3-73.3146.9000120
548I36.5Very low34.2Very low141 Ų141135 Ų13572%0.72377%0.769SS**  71110.1129.3-61.2176.2000120
549N31.8Very low34.1Very low142 Ų142140.3 Ų140.376%0.75977%0.771SS**  18.2152.4126.5-53.3-6.5000120.6
550E35.7Very low34.4Very low169 Ų169140.6 Ų140.679%0.7977%0.772SS**  cis-136.8149.420.8-80.5-165.6142.900111
551N30.4Very low34.3Very low122 Ų122142.5 Ų142.565%0.65277%0.772SS**  cis87.280.843.3-177.243000115.8
552V37.6Very low34.1Very low151 Ų151147.2 Ų147.292%0.91578%0.775SS**  trans-139.2145.7152-177.60000108.8
553N31.2Very low34.2Very low134 Ų134150.7 Ų150.772%0.71778%0.782SS**  trans-133.3-157.5-163.8-151.6-11.2000112.4
554P37.3Very low33.9Very low113 Ų113150.1 Ų150.173%0.73478%0.781SS**  -110.3169.6-119.638.5-25.3000116.7
555S34.1Very low34.1Very low122 Ų122149.7 Ų149.785%0.85379%0.787SS**  trans-146138.8166.5-168.80000114.8
556T32.9Very low34.5Very low127 Ų127151 Ų15178%0.77979%0.794SS**PPolyproline II helixtrans-58.6152.9-167.739.70000119.7
557P29.5Very low34.6Very low114 Ų114151.3 Ų151.374%0.7479%0.794SS**PPolyproline II helixtrans-92.3153.1174.637.1-35.4000114.8
558P37.6Very low34.7Very low131 Ų131151.7 Ų151.785%0.85180%0.797SS**PPolyproline II helixtrans-81.8132.5175.232.3-33.7000113.3
559R29.6Very low34.4Very low229 Ų229149 Ų14986%0.86480%0.795SS**PPolyproline II helixtrans-84.3129173-70173.2168.8143.1-5.7111.5
560L38.7Very low34.6Very low180 Ų180150.2 Ų150.294%0.94280%0.802SS**  trans-129.8120.7155.1-77179.1000111.6
561L31.8Very low34.5Very low155 Ų155149.4 Ų149.481%0.81280%0.8SS**  trans-95.5134.8-175.3-70.6142.9000111.4
562R32.9Very low34.6Very low232 Ų232151.3 Ų151.388%0.87581%0.808SS**  trans-16286.4142.4-109.7156.7-161.7-158.24.7116
563R35Very low34.3Very low225 Ų225149.6 Ų149.685%0.84980%0.803SS**  trans58.794.8141.2-66-175.5165.5124.32.6119.5
564N29.5Very low34.2Very low155 Ų155147.9 Ų147.983%0.82980%0.801SS**  trans-84143145.1-67.6-20.7000110.4
565S40.1Very low33.9Very low102 Ų102147.4 Ų147.471%0.71380%0.801SS**  trans-160.8136.5161.754.90000110.9
566N41.2Very low33.8Very low160 Ų160147.8 Ų147.886%0.85679%0.794SS**  cis-120.7137.8-4-69-61.4000110.5
567L36.7Very low33.8Very low132 Ų132149.5 Ų149.569%0.69179%0.792SS**  trans-78.3155.9178-83.9150.6000112.5A569L567-A569 PolarHBondContact O-N 3.47Å
568L38.4Very low33.8Very low150 Ų150152.2 Ų152.279%0.78580%0.795SS**  trans-2.1101.9142.1-57.3171.5000114.8
569A31Very low33.4Very low84 Ų84157 Ų15769%0.69480%0.796SS**  trans-118.4132.7162.500000108.2L567L567-A569 PolarHBondContact O-N 3.47Å
570N35.8Very low33.6Very low167 Ų167153 Ų15389%0.89379%0.791SS**SBendtrans98.815.3-175.3-52.7-18000117.5
571M32.3Very low33.3Very low153 Ų153151.1 Ų151.175%0.75478%0.782SS**  trans-121.6136.1132.5-49.2-164.2-48.500104.7
572I33.8Very low33.3Very low161 Ų161149.1 Ų149.183%0.82678%0.776SS**  cis-125.3160.314.5-44.991.8000109.1
573S30.2Very low33.4Very low116 Ų116143.6 Ų143.681%0.81177%0.768SS**  trans-144.2104.2156.9-169.60000110.1
574S30.3Very low33.3Very low97 Ų97140 Ų14068%0.67877%0.765SS**  trans-89.9136.8167.150.30000110.2
575S30.8Very low33.5Very low103 Ų103139.3 Ų139.372%0.7276%0.76SS**  trans174.7148.5150.322.40000107.3
576D32.1Very low33.2Very low131 Ų131142.9 Ų142.970%0.70177%0.765SS**  cis153151.3-17-94.9-38.8000104.7
577H31.5Very low32.7Very low163 Ų163141.7 Ų141.776%0.75576%0.758SS**  trans30.7118.8167.1-59.7-47000121.5
578H30.8Very low32.7Very low171 Ų171142.5 Ų142.579%0.79276%0.762SS**  12.9120.7125.1-67.6-72.5000118.8
579R28.7Very low32.5Very low231 Ų231143.4 Ų143.487%0.87276%0.762SS**  trans56.5124.8130.6-111-178.3178-167.5-1.6118.8
580L34.1Very low32.7Very low144 Ų144144 Ų14475%0.75476%0.761SS**  trans97.6105.9158.2-53.1174.3000117.9
581N31.9Very low32.9Very low142 Ų142142.4 Ų142.476%0.75976%0.76SS**  71.8114.8125.9-67.22.4000122.5
582T32.5Very low33.2Very low113 Ų113144.8 Ų144.869%0.69377%0.766SS**  101.386.1122.1-59.20000121.1
583T34Very low33.2Very low116 Ų116147.3 Ų147.371%0.71277%0.765SS**  trans75152.8131.863.60000123.9
584L34.4Very low33.7Very low150 Ų150149.7 Ų149.779%0.78577%0.767SS**  trans67113163.6-65156.9000116.1
585I32.4Very low33.9Very low139 Ų139152.3 Ų152.371%0.71377%0.766SS**  cis77.99843.2-52.2168.5000114.5
586Q34.9Very low34.3Very low177 Ų177153.8 Ų153.883%0.82777%0.771SS**  trans179.6125133.4-95.5166.618.200107.9
587L30.8Very low34.4Very low136 Ų136152.8 Ų152.871%0.71277%0.771SS**  67.2114.367.5-81.5163.5000115.1
588I35.8Very low34.6Very low149 Ų149156.6 Ų156.676%0.76478%0.779SS**  178.8115.7120.7-89.9154.9000113.5
589H34.2Very low35.1Very low168 Ų168157.6 Ų157.678%0.77878%0.781SS**  trans36.8147.6143.2-5595.7000126.3
590S35Very low35.3Very low98 Ų98153.7 Ų153.769%0.68578%0.778SS**  trans-117.7155.2178.856.40000114.5
591P40.9Very low35.5Very low133 Ų133154.7 Ų154.786%0.86478%0.782SS**  trans-74.5164.6170.2-17.432.9000114.4
592K39.1Very low35.5Very low202 Ų202156.3 Ų156.388%0.87878%0.783SS**  trans-119.2159.9-162.9-70173.7-177.3167.30116.3
593R33.1Very low35.4Very low214 Ų214157.7 Ų157.781%0.80879%0.786SS**  trans-62.6143.3176.6-155.2-173.5-155.8167.96.5114.1
594I40.2Very low35.3Very low167 Ų167158.8 Ų158.886%0.85679%0.792SS**  trans-126.7160.8155.7-62.7-176.5000108.6
595K34.6Very low35.2Very low152 Ų152157.6 Ų157.666%0.66179%0.791SS**  trans-133.3177.1-168.6-77.7-175.5174.9-179.50112.7
596T38.7Very low35.5Very low133 Ų133156.8 Ų156.882%0.81680%0.795SS**  trans94.8162.3156.977.10000116.5
597P35Very low35.2Very low110 Ų110157.6 Ų157.671%0.71480%0.796SS**  -134169.8-56.938-24.1000114.3
598R36.6Very low35.3Very low244 Ų244156.6 Ų156.692%0.92180%0.799SS**  trans-63.5142.8168.1-82.5178.1163.6162.1-6.6112.2
599K40.2Very low35.2Very low192 Ų192155.8 Ų155.884%0.83580%0.801SS**  trans-140.7147.3151-77.3-167.2176.6-179.90110.7
600N33.6Very low35.2Very low149 Ų149153.2 Ų153.280%0.79780%0.802SS**  trans-72.5163.7162-56.7-21.4000109.5
601I37.6Very low35.1Very low165 Ų165156.7 Ų156.785%0.84681%0.813SS**  trans-163.3148.9131.8-102.2150000109.2
602F31.3Very low34.6Very low176 Ų176154 Ų15477%0.77280%0.802SS**  trans-76.1173176.2-87.6-116.2000111.5
603N30.6Very low34.5Very low141 Ų141154 Ų15475%0.75480%0.802SS**  trans14.6125.1149.5-55.8-1.1000118.5
604V33.2Very low34.6Very low139 Ų139150.3 Ų150.384%0.84280%0.798SS**  -169.6132.9117.1139.70000109.6
605T32.3Very low34.5Very low125 Ų125149.6 Ų149.677%0.76780%0.796SS**  trans-82128.1169.347.90000110.4K607T605-K607 PolarHBondContact O-N 3.39Å
606P38.2Very low34.2Very low122 Ų122147.8 Ų147.879%0.79280%0.801SS**  trans-75.5119.6172.229.8-32000110.9
607K29.2Very low34.1Very low194 Ų194146 Ų14684%0.84380%0.795SS**  trans-105.6108.5162.9-88.8-170.9173.4-175.20109.1T605T605-K607 PolarHBondContact O-N 3.39Å
608C31.7Very low34.2Very low115 Ų115149 Ų14978%0.77780%0.799SS**  trans-134.793.9163-64.10000107.2
609T34.9Very low34Very low132 Ų132144.3 Ų144.381%0.8179%0.791SS**  65.1106.888.260.60000113.3
610S32.8Very low33.8Very low115 Ų115139.9 Ų139.980%0.80478%0.784SS**  trans-67.5143.5172.651.30000112.9
611N32.5Very low33.9Very low171 Ų171138.3 Ų138.391%0.91478%0.781SS**  trans-154156.2139.8-130.6-31.4000111.6
612A31.7Very low33.8Very low77 Ų77137.2 Ų137.264%0.63678%0.782SS**  trans-95.8153.4-172.300000113.1
613K36.4Very low33.9Very low201 Ų201134.1 Ų134.187%0.87478%0.777SS**  -177.5137.8122.1-98158.4-174.7-179.80114.2
614N35.6Very low34.1Very low136 Ų136134.1 Ų134.173%0.72778%0.783SS**  trans-28.1146.1165-38.1-9.2000116.3
615N37.3Very low34.1Very low153 Ų153134.6 Ų134.682%0.81878%0.776SS**  -175.4160.4104.4-90.8-17.8000114.3
616C29.4Very low34.3Very low113 Ų113136 Ų13676%0.76478%0.777SS**  trans-29.8157.5173.1-59.90000117.9
617S36.5Very low34Very low97 Ų97135.9 Ų135.968%0.67877%0.769SS**  cis-160.6148.345-68.70000115.2
618Q37Very low34.3Very low171 Ų171132 Ų13280%0.79976%0.762SS**  42.1140.1129.5-52.4-175.311.900119.4
619L31.9Very low34.3Very low147 Ų147133.3 Ų133.377%0.7776%0.762SS**  cis-162.5174.51.4-13757.3000105.6
620S36.4Very low34.1Very low98 Ų98131.9 Ų131.969%0.68576%0.756SS**  cis-148.6166.917.8-74.90000114.3
621T35.1Very low34.2Very low117 Ų117131.2 Ų131.272%0.71875%0.751SS**  trans-44.6154.9155.650.50000115.5
622T36.8Very low34.3Very low142 Ų142130.4 Ų130.487%0.87175%0.747SS**  -141.6159.858.58.80000117.2
623T31.6Very low34.7Very low110 Ų110132 Ų13268%0.67575%0.75SS**  trans-135.6150.2-176.2-54.30000109.2Q625T623-Q625 HydrophobicContact CG2-CG 4.15Å
624T36.8Very low34.7Very low142 Ų142129.2 Ų129.287%0.87175%0.75SS**  trans-130.9127.9157.2-42.50000109
625Q31.3Very low34.6Very low148 Ų148130.8 Ų130.869%0.69275%0.753SS**  trans-104.4164.6176.2-63.8174.9-18.700110T623T623-Q625 HydrophobicContact CG2-CG 4.15Å
626I37.7Very low34.4Very low156 Ų156131.1 Ų131.180%0.875%0.753SS**  trans-166.6108.9134.8-97.2146.6000107.9
627N32.1Very low34.6Very low118 Ų118131 Ų13163%0.63175%0.749SS**  36149.2108.5-65.513.9000118.5
628T34.8Very low34.3Very low113 Ų113132.7 Ų132.769%0.69376%0.756SS**  cis-176.4153.82.5230000106.3
629D31.6Very low34.1Very low143 Ų143130.5 Ų130.577%0.76575%0.754SS**  cis-171.7-161.8-14.4-147.9-72.2000108.1
630C30Very low34.2Very low102 Ų102127.7 Ų127.769%0.68975%0.745SS**  trans83.5122.2149.3-740000122.4
631S36.2Very low34.1Very low101 Ų101129.5 Ų129.571%0.70675%0.754SS**  trans79.2136.7136-61.40000120.2
632N34.6Very low34Very low154 Ų154131.3 Ų131.382%0.82476%0.758SS**  cis-159.3159-19.4-120.9-16.4000110.1
633P40.2Very low33.4Very low109 Ų109129.7 Ų129.771%0.70875%0.751SS**  trans-104.1158.3-165.638.7-35.2000115.5
634V35.6Very low33.3Very low144 Ų144130 Ų13087%0.87375%0.753SS**  trans-131.2134.9155.5-176.70000111
635Q33Very low33Very low169 Ų169129.4 Ų129.479%0.7974%0.742SS**  trans-53.3161.8178.4-58.7160.37.700112.5
636I34.9Very low32.9Very low159 Ų159129.8 Ų129.882%0.81574%0.741SS**  -149.1124.570.8-80.4158.1000113.2
637T33Very low32.6Very low111 Ų111128.1 Ų128.168%0.68174%0.74SS**  trans39.897.6143.2-45.90000120.9
638T29.2Very low32.6Very low133 Ų133131.7 Ų131.782%0.81675%0.751SS**  trans-76.3146.4144.752.40000111.7
639T32.8Very low32.3Very low124 Ų124133.6 Ų133.676%0.76176%0.756SS**  trans-168.8162.2152.19.70000110.1
640P34.2Very low32.3Very low89 Ų89134.3 Ų134.358%0.57875%0.754SS**  -122.3171.1-118.739-24.5000115.4I642P640-I642 PolarHBondContact O-N 3.41Å
641P34.8Very low32.3Very low135 Ų135134.6 Ų134.688%0.87775%0.749SS**  trans-65.9123169.527.8-35.2000111.3
642I32.1Very low32Very low156 Ų156136.1 Ų136.180%0.875%0.749SS**  trans-113134.2171.7-65.6-177.8000109.6P640P640-I642 PolarHBondContact O-N 3.41Å
643C26Very low32Very low108 Ų108135.5 Ų135.573%0.7375%0.751SS**  trans-96.8177-170.4-173.60000112
644T28.7Very low32Very low115 Ų115137.9 Ų137.971%0.70675%0.753SS**  trans101.6154.7152.678.80000119.8
645M29.5Very low32.1Very low130 Ų130136.4 Ų136.464%0.6475%0.746SS**  trans87.974159.9-61.3-5998.600121
646K29.9Very low32.3Very low157 Ų157136 Ų13668%0.68375%0.746SS**  78.8143.2122.1-72.4166.9-179.9156.70119.9
647P31.9Very low32.3Very low121 Ų121132.8 Ų132.879%0.78674%0.737SS**  trans-82.7136.1164.134.5-31.5000110.8
648F31.7Very low32.3Very low193 Ų193134.1 Ų134.185%0.84674%0.741SS**  trans-143.7155.4162.6-99.9-80.4000111.6
649L29.4Very low32.6Very low152 Ų152133.1 Ų133.180%0.79673%0.734SS**  trans-83.6179.2175.5-64.5161000110.6
650Q30Very low32.7Very low158 Ų158133.8 Ų133.874%0.73873%0.733SS**  trans93.8106.2148.1-138.672.963.700118.4
651N29.9Very low32.7Very low108 Ų108134.5 Ų134.558%0.57874%0.736SS**  trans77.2134.4137.5-78.846000124.1
652D30.5Very low32.8Very low133 Ų133134.8 Ų134.871%0.71174%0.735SS**  trans58.9145.5137.9-46-25.8000119
653V35.5Very low33Very low141 Ų141130.3 Ų130.386%0.85573%0.727SS**  cis-148.8163.545.4166.20000111.6
654Q38.5Very low33.3Very low160 Ų160130.2 Ų130.275%0.74873%0.727SS**  trans-74.2-169.8176.6-60.7-170.2-26.500114.2
655P38.6Very low33.4Very low113 Ų113132 Ų13273%0.73473%0.731SS**  -137.9140.988.735.4-22000116.3
656M37.2Very low33.8Very low160 Ų160130.9 Ų130.979%0.78873%0.733SS**  trans69148.9146.1-67.1174.37000118.5
657S34.6Very low33.7Very low91 Ų91134.9 Ų134.964%0.63674%0.744SS**  cis-168.4169.7-15.964.70000107.4
658N32.6Very low33.5Very low140 Ų140135 Ų13575%0.74975%0.748SS**  cis-159.5167.83.6-141.6-10.6000109
659V36.8Very low33.7Very low112 Ų112131.9 Ų131.968%0.67975%0.745SS**  trans62.1131.7151.5166.10000117.5
660N34.9Very low34Very low137 Ų137129.7 Ų129.773%0.73374%0.74SS**  cis-169.3166.4-6.2-104.6-3.8000106
661T34.3Very low34Very low105 Ų105132.9 Ų132.964%0.64475%0.745SS**  cis-161.71432.2-117.50000109.2
662V37.1Very low34Very low141 Ų141136.1 Ų136.186%0.85575%0.749SS**  trans49132.3157.5177.40000119.9
663G34.7Very low34.2Very low62 Ų62141.3 Ų141.364%0.63976%0.759SS**  cis160156-7.500000115
664S32.6Very low34Very low105 Ų105138.6 Ų138.673%0.73474%0.742SS**  trans66.1107.9146.4-58.40000122.8
665I31.7Very low33.6Very low154 Ų154139.9 Ų139.979%0.7974%0.742SS**  60.3137.4110.5-65.1158000119.2
666P37.9Very low33.6Very low105 Ų105143.8 Ų143.868%0.68275%0.747SS**  cis-142.5-163.6-2641.3-20.1000114.2
667R27.6Very low33.6Very low241 Ų241140.7 Ų140.791%0.90974%0.741SS**  trans30.4103151.2-77.9177.3155.8174.4-5.2119.3
668S27.3Very low33.6Very low123 Ų123145.6 Ų145.686%0.8675%0.751SS**  trans177.3167.3132.141.10000113.2
669T35Very low33.6Very low129 Ų129143.8 Ų143.879%0.79174%0.742SS**  trans-92.8177.5165.663.50000109.3
670P37.4Very low33.6Very low105 Ų105145.1 Ų145.168%0.68274%0.744SS**  cis-139.4-1504.139.2-16.1000113.3
671R29.5Very low33.5Very low226 Ų226145.9 Ų145.985%0.85375%0.747SS**  trans73.1163.6163.4-76.9173.8171.9-176.6-2.3117.7
672R29.5Very low33.5Very low175 Ų175147.3 Ų147.366%0.6675%0.751SS**  cis162.6114.4-33176.5-168.5-169.2-144.28.9107.3T674R672-T674 HydrophobicContact CG-CG2 4.11Å
673R34.3Very low33.2Very low243 Ų243144.8 Ų144.892%0.91774%0.74SS**  trans-115.3113.1152.8-82178.2164.5161.1-5.7106.3
674T31.5Very low33.2Very low83 Ų83149.9 Ų149.951%0.50975%0.747SS.*  70.6129.351.770.20000113.5R672R672-T674 HydrophobicContact CG-CG2 4.11Å
675Y31.4Very low33.3Very low187 Ų187150.3 Ų150.373%0.73375%0.747SS**  cis-147.6168.4-3.9-103.5-170000105.3
676K38.7Very low33.3Very low195 Ų195148.1 Ų148.185%0.84874%0.74SS**  cis-14114825.8-64.2173.1178.8175.60111
677S36.8Very low32.9Very low95 Ų95149.9 Ų149.966%0.66474%0.744SS**  trans-100.7152.7144.4179.30000107.4D679S677-D679 PolarHBondContact OG-OD1 3.43Å
678K34Very low33Very low195 Ų195143.5 Ų143.585%0.84873%0.732SS**  trans-149.995152.9-158.2173.3-178-1790105.5
679D31.9Very low33.3Very low102 Ų102143.6 Ų143.655%0.54573%0.728SS.*  64.999.679.9-54.5-13.2000108.8S677S677-D679 PolarHBondContact OG-OD1 3.43Å
680I36.5Very low33Very low140 Ų140142 Ų14272%0.71873%0.728SS**  85.3113.994.2-74.5158.4000110.3
681D33.2Very low33Very low152 Ų152143.8 Ų143.881%0.81374%0.737SS**  trans169.7160.2134.1-88.5-21.8000109.6
682D33.9Very low33.1Very low135 Ų135138.1 Ų138.172%0.72273%0.732SS**  -158.6163.6-62.1-158.7-4.9000107.3
683S32Very low33.4Very low88 Ų88140.4 Ų140.462%0.61574%0.74SS**  trans66.5160.616288.90000116.7
684H34Very low33.4Very low169 Ų169137.2 Ų137.278%0.78273%0.728SS**  cis-136.1159.2-13.3-103.8-40000109.3
685P36.2Very low33.5Very low114 Ų114142.2 Ų142.274%0.7474%0.738SS**  trans-90.9-131.5178.539-35.6000111
686V30.7Very low33.8Very low108 Ų108138 Ų13866%0.65573%0.731SS**  trans100.993.8162.8-169.70000117
687N28.9Very low33.8Very low143 Ų143138.3 Ų138.377%0.76573%0.727SS**  trans80162.7136.9-68-3.4000122.6
688T29.6Very low34Very low106 Ų106140.9 Ų140.965%0.6573%0.729SS**  cis-173.3171.3-34.7-85.50000107.3
689T34Very low34.2Very low126 Ų126136.8 Ų136.877%0.77372%0.724SS**  trans74.4121.9179.675.60000114.1
690A29.9Very low34.3Very low95 Ų95137.3 Ų137.379%0.78574%0.736SS**  cis79.297.61000000117.5
691T37.1Very low34.3Very low142 Ų142134.1 Ų134.187%0.87174%0.738SS**  trans-164.8125.1147.917.50000105.8
692S30.1Very low34.2Very low107 Ų107136.3 Ų136.375%0.74874%0.74SS**  cis84.293.931.1-166.60000114.9
693R37.3Very low34.2Very low224 Ų224134.4 Ų134.485%0.84573%0.733SS**  trans168.5146.3154.5-95.7157.3-169.5-145.14.7109.7
694R32.9Very low34.3Very low175 Ų175138.9 Ų138.966%0.6675%0.745SS**  cis-168.8141.3-13-142.7-173.7-175.5-173.92.9111
695R35.3Very low34.4Very low188 Ų188135.5 Ų135.571%0.70974%0.74SS**  trans62.3160.7150.3-82.5175.4172.4-176.3-4.4118.4
696T37.3Very low34.3Very low98 Ų98136.7 Ų136.760%0.60174%0.74SS**  cis-150.4140.6-2.5-1.30000112
697R38.6Very low34.6Very low202 Ų202137.7 Ų137.776%0.76275%0.747SS**  trans32.2155.1130.9-56.7175.1170.7-175.2-8.1120.8
698H41.5Very low34.9Very low150 Ų150140.8 Ų140.869%0.69475%0.747SS**  cis-152.3150.434.7-75.3-103.1000115
699S36.7Very low35.1Very low108 Ų108142.9 Ų142.976%0.75575%0.75SS**  trans29.4157.4131.9-54.40000124.6
700S34.1Very low34.9Very low114 Ų114143.7 Ų143.780%0.79776%0.755SS**  cis-179.8153.5-18.153.30000113.7
701G36.1Very low35.2Very low72 Ų72146.7 Ų146.774%0.74276%0.756SS**  trans89.5162.9164.800000116.6
702F31.7Very low35.1Very low199 Ų199145.6 Ų145.687%0.87375%0.749SS**  cis-174.6162.9-7.5-149.3-113.3000108.8
703V34.6Very low35.2Very low94 Ų94146.2 Ų146.257%0.5775%0.753SS**  -158.1153.8-55.5107.30000110.8
704Q34.3Very low35.4Very low183 Ų183140.4 Ų140.486%0.85574%0.744SS**  trans64.5158.5165.6-84.8167.6-13.900119.9
705S35.2Very low35.7Very low97 Ų97140.3 Ų140.368%0.67875%0.751SS**  cis-153.9167.1-3.648.50000114
706N35.2Very low35.9Very low139 Ų139139.4 Ų139.474%0.74376%0.759SS**  trans53.3112.7161.2-61.8-9.3000120.4
707T36Very low35.8Very low130 Ų130143.8 Ų143.880%0.79877%0.77SS**  65.4130.86769.90000113.8
708R35.3Very low36.2Very low208 Ų208139.7 Ų139.779%0.78576%0.763SS**  -16312758.1-179.3176.3-176.2163.311.3115.4
709E33.6Very low36.7Very low150 Ų150139.7 Ų139.770%0.70176%0.763SS**  trans50.2134145.6-57.4167.8156.400122.8
710T29.6Very low37.3Very low142 Ų142143 Ų14387%0.87177%0.767SS**  trans-144.2143.3160.3-68.30000108.3
711I36Very low38.2Very low159 Ų159141.8 Ų141.882%0.81576%0.764SS**  trans-99.5114.5-164.5-55.9176.4000112.3
712V34.8Very low38.7Very low119 Ų119143 Ų14372%0.72175%0.752SS**  trans5.7129.7153.5-173.20000119
713S33.3Very low39.4Very low119 Ų119141.9 Ų141.983%0.83275%0.746SS**  trans-112.3138.5144.5-64.20000109.1
714P41.7Very low40.2Very low102 Ų102145 Ų14566%0.66276%0.759SS**  trans-98.3152-169.336.3-35.3000116
715Q39.1Very low40.5Very low173 Ų173137.7 Ų137.781%0.80873%0.733SS**  trans59.792.7152.4-78.6160.2-62.100120.1
716I39.2Very low41.2Very low170 Ų170144.2 Ų144.287%0.87274%0.743SS**PPolyproline II helixtrans-75.2142.1144.8-58.8166.8000107.8
717F35.4Very low42Very low190 Ų190145.3 Ų145.383%0.83374%0.744SS**PPolyproline II helixtrans-82.9148.7176.6-79.7-95.7000112.1
718D46.3Very low42.9Very low116 Ų116144.6 Ų144.662%0.6273%0.731SS**PPolyproline II helixtrans-74.8134.3178.3-153.3-27.7000111.3E720D718-E720 PolarHBondContact OD1-N 3.34Å
719E52.8Low43.6Very low149 Ų149142 Ų14270%0.69673%0.726SS**SBendtrans-81.4-27.3-172.6-162.4164.7-141.600111.5A721 M722E719-A721 PolarHBondContact O-N 3.49Å; E719-M722 HydrophobicContact CG-CE 4.33Å; E719-M722 PolarHBondContact O-N 2.96Å
720E49.5Very low44.5Very low177 Ų177140.5 Ų140.583%0.82772%0.722SS**G310 helixtrans-70.7-17.6178.9-142.7164.1-135.500112.3D718D718-E720 PolarHBondContact OD1-N 3.34Å
721A53.1Low45.3Very low89 Ų89140 Ų14074%0.73671%0.714SS**G310 helixtrans-84.50.1177.100000114.6E719E719-A721 PolarHBondContact O-N 3.49Å
722M46.7Very low46Very low99 Ų99140.8 Ų140.849%0.48872%0.715SS.*G310 helixtrans-97.4-5.5-178.1-71.3-158.2-6700115.2E719E719-M722 HydrophobicContact CG-CE 4.33Å; E719-M722 PolarHBondContact O-N 2.96Å
723F45.5Very low46.4Very low174 Ų174139.3 Ų139.376%0.76371%0.706SS**  trans-130.6111.2-178.6-65.6-80.7000111.2
724L50.7Low46.8Very low159 Ų159138.3 Ų138.383%0.83270%0.695SS**  trans-64.5166.4170.2-81.1161.6000111.6R726L724-R726 PolarHBondContact O-N 2.9Å
725G40.9Very low46.8Very low31 Ų31139.2 Ų139.232%0.3270%0.7SS.*  trans-58.9128-167.900000113E727 E728 F729G725-E727 PolarHBondContact O-N 3.09Å; G725-E728 WeakPolarHBondContact CA-OE2 3.34Å; G725-E728 PolarHBondContact N-OE2 3.5Å; G725-E728 WeakPolarHBondContact O-CB 3.4Å; G725-E728 PolarHBondContact O-N 3.31Å; G725-F729 PolarHBondContact O-N 2.73Å
726R50.3Low46.5Very low234 Ų234138.4 Ų138.488%0.88370%0.702SS**THydrogen-bonded Turntrans-58.8-19172.9-157.6-176.2-149.7147.98.1113.2L724L724-R726 PolarHBondContact O-N 2.9Å
727E52Low46.5Very low161 Ų161137.2 Ų137.275%0.75270%0.702SS**THydrogen-bonded Turntrans-91-18.4179.8-163161.5-123.300112.4G725 N731G725-E727 PolarHBondContact O-N 3.09Å; E727-N731 PolarHBondContact O-ND2 3.02Å
728E55.9Low46.2Very low115 Ų115132.8 Ų132.854%0.53770%0.695SS.*THydrogen-bonded Turntrans-82.6-45.9179.3-61.5169.8153.100110.5G725 L730 N731G725-E728 WeakPolarHBondContact CA-OE2 3.34Å; G725-E728 PolarHBondContact N-OE2 3.5Å; G725-E728 WeakPolarHBondContact O-CB 3.4Å; G725-E728 PolarHBondContact O-N 3.31Å; E728-L730 PolarHBondContact O-N 3.48Å; E728-L730 VanDerWaalsContact O-N 3.11Å; E728-N731 PolarHBondContact O-N 3.22Å; E728-N731 VanDerWaalsContact O-N 3.11Å
729F48.6Very low45.7Very low155 Ų155134.1 Ų134.168%0.6870%0.702SS**THydrogen-bonded Turntrans-62.3-20.9-177.3-163.9-94.9000114.6G725 T733G725-F729 PolarHBondContact O-N 2.73Å; F729-T733 PolarHBondContact O-OG1 3.21Å; F729-T733 VanDerWaalsContact O-OG1 3.06Å
730L52.2Low44.7Very low117 Ų117132.8 Ų132.861%0.61370%0.704SS**THydrogen-bonded Turntrans-88.2-11.4179.7-76.1168.6000114E728E728-L730 PolarHBondContact O-N 3.48Å; E728-L730 VanDerWaalsContact O-N 3.11Å
731N47.6Very low44.1Very low132 Ų132130.3 Ų130.371%0.70670%0.701SS**THydrogen-bonded Turntrans-99.2-8.6-178.1-64.2-27000113.3E727 E728E727-N731 PolarHBondContact O-ND2 3.02Å; E728-N731 PolarHBondContact O-N 3.22Å; E728-N731 VanDerWaalsContact O-N 3.11Å
732E51.3Low43.2Very low176 Ų176133.2 Ų133.282%0.82270%0.704SS**SBendtrans-109.2-2-173.9-162.4168.4-150.200113.1
733T42.1Very low42.4Very low88 Ų88132.8 Ų132.854%0.5472%0.716SS.*SBendtrans-120.16.1-169.648.70000115.4F729F729-T733 PolarHBondContact O-OG1 3.21Å; F729-T733 VanDerWaalsContact O-OG1 3.06Å
734T42.8Very low42Very low98 Ų98129.9 Ų129.960%0.60172%0.716SS**  trans-119121.6178.641.40000112.2N736T734-N736 PolarHBondContact O-N 3.24Å
735P40Very low41.5Very low120 Ų120128.9 Ų128.978%0.77971%0.71SS**  trans-72.8127.3170.529.6-32.3000110.2V737P735-V737 PolarHBondContact O-N 3.01Å
736N34.2Very low41.4Very low157 Ų157135.5 Ų135.584%0.8473%0.733SS**  trans-68.4123.7176-80.2-46.6000111.2T734T734-N736 PolarHBondContact O-N 3.24Å
737V38.7Very low41Very low144 Ų144130.9 Ų130.987%0.87373%0.726SS**  trans-119.693.2158.9-176.40000107.9P735P735-V737 PolarHBondContact O-N 3.01Å
738S30.1Very low40.4Very low98 Ų98130.5 Ų130.569%0.68573%0.729SS**  trans-91.6123.7173.653.90000110.6
739N35.7Very low39.3Very low144 Ų144128.5 Ų128.577%0.7774%0.739SS**  trans179.3101.5152.8-90.9-16.8000107.4
740T31.5Very low38.8Very low121 Ų121126.3 Ų126.374%0.74275%0.749SS**  89.5147.478.150.40000114.1
741V35.5Very low38Very low125 Ų125129.8 Ų129.876%0.75876%0.763SS**  trans78.284.4172.4-1600000117.9
742D34.1Very low37.3Very low149 Ų149133.8 Ų133.880%0.79777%0.774SS**  32.9123.7123.5-58-63.8000123.6
743A31.8Very low36.4Very low91 Ų91127.9 Ų127.975%0.75276%0.76SS**  81.8161.6127.300000122.2
744C35.9Very low35.9Very low112 Ų112128.6 Ų128.676%0.75778%0.776SS**  trans67.7107.8179.2-59.90000115.5
745I40.1Very low35.7Very low139 Ų139131.5 Ų131.571%0.71379%0.786SS**  83.8117.862-70.4165.8000111.7
746E38.9Very low35.3Very low170 Ų170132.8 Ų132.879%0.79479%0.786SS**  trans39.8145.4142.2-58.5159.5-175.600119.1
747D41.2Very low35.4Very low136 Ų136132.3 Ų132.373%0.72778%0.78SS**  cis-158.6-176.328-147.7-7.2000114.1
748D40.9Very low35Very low154 Ų154131 Ų13182%0.82478%0.778SS**  trans-17.9156.2167-84.4-24.7000121
749G32.9Very low35.4Very low73 Ų73136.4 Ų136.475%0.75378%0.783SS**  trans157.479.5148.800000120.1
750A37.6Very low35.3Very low108 Ų108138.6 Ų138.689%0.89379%0.786SS**  trans40.7146.314500000124.1
751E35.1Very low35.5Very low191 Ų191142.7 Ų142.789%0.89379%0.788SS**  trans-49.6133.8177.5-59.7168.8103.400117.5
752F32.9Very low35.5Very low215 Ų215146.8 Ų146.894%0.94379%0.789SS**  trans-148.9147.6139.4-131.5-103.2000107
753G33.5Very low35.5Very low52 Ų52149.1 Ų149.154%0.53679%0.793SS.*  cis139.2117.210.900000106.9L755G753-L755 PolarHBondContact O-N 3.06Å
754A31.3Very low35.7Very low104 Ų104152.7 Ų152.786%0.8680%0.797SS**  trans-65124.5-152.100000116.6
755L37.3Very low35.5Very low158 Ų158151.3 Ų151.383%0.82779%0.789SS**  trans-135.4120.2154-67.1174.4000106.6G753G753-L755 PolarHBondContact O-N 3.06Å
756L32.7Very low35.5Very low148 Ų148150.4 Ų150.478%0.77579%0.792SS**  cis73.7148.944-154.875.4000113.1
757M35Very low35.3Very low146 Ų146148.6 Ų148.672%0.71979%0.792SS**  trans84.581.4175.2-57.7-77.196.500118.1
758S31.3Very low34.9Very low116 Ų116147.5 Ų147.581%0.81179%0.794SS**  23.8112.5119.5-51.30000118.7
759R39.1Very low34.7Very low213 Ų213145 Ų14580%0.80478%0.784SS**  trans-127.476.5165.6-143.5171.7-158.5-171.96.3115.3R761R759-R761 PolarHBondContact O-N 2.92Å
760K32.8Very low34.6Very low189 Ų189148.1 Ų148.182%0.82279%0.791SS**  trans-80.395.5171.9-172.9173.4-173.8168.70111.4
761R34.8Very low34.6Very low208 Ų208148.9 Ų148.979%0.78579%0.785SS**  trans-119.9117.3162.7-77.4-178.1162.6-166.8-6.6106.8R759R759-R761 PolarHBondContact O-N 2.92Å
762R35.7Very low34.7Very low210 Ų210147.8 Ų147.879%0.79278%0.78SS**  cis79.692.620.5-131-172.6-162.9-1735.3114.1
763K34.4Very low35.2Very low199 Ų199142.6 Ų142.687%0.86577%0.768SS**  trans69.1153.6170-58.5-166.4176-168.30113.5
764I37Very low35.6Very low166 Ų166145.1 Ų145.185%0.85178%0.775SS**  cis-129.315730.2-67.1149.5000111.7
765S30.7Very low35.9Very low82 Ų82145.5 Ų145.557%0.57377%0.766SS**  trans-105.5145.5167.864.30000111.2V767S765-V767 PolarHBondContact O-N 3.13Å
766P41.4Very low35.8Very low121 Ų121147.3 Ų147.379%0.78677%0.768SS**  trans-69124.1158.130.2-31000108.8
767V33.3Very low35.8Very low131 Ų131149.7 Ų149.779%0.79477%0.766SS**  trans-91.7101.6170.41750000107.9S765S765-V767 PolarHBondContact O-N 3.13Å
768C34.4Very low35.8Very low114 Ų114151 Ų15177%0.7778%0.775SS**  trans-100.2102.1167.1-73.20000109.6
769T36.2Very low36Very low100 Ų100151.9 Ų151.961%0.61377%0.771SS**  trans13.6128154.654.30000119.4T771T769-T771 PolarHBondContact O-N 2.89Å
770P30.7Very low35.5Very low140 Ų140147.8 Ų147.891%0.90977%0.77SS**  trans-7683.4172.733.3-35000111.6
771T36.9Very low35.6Very low123 Ų123146.8 Ų146.876%0.75577%0.773SS**PPolyproline II helixtrans-84132170.8-290000109.5T769T769-T771 PolarHBondContact O-N 2.89Å
772Q37.1Very low35.4Very low169 Ų169140.4 Ų140.479%0.7976%0.764SS**PPolyproline II helixtrans-52.9144.7-165.5-64.1171.6-40.600114.9
773P44Very low35.5Very low105 Ų105137.4 Ų137.468%0.68277%0.769SS**PPolyproline II helixtrans-63142.2155.330.6-33.5000109V775P773-V775 PolarHBondContact O-N 3.15Å
774P41.3Very low35.4Very low105 Ų105133.6 Ų133.668%0.68276%0.763SS**  trans-63.7112.4178.625.6-33.3000110.1F776P774-F776 HydrophobicContact CG-CE2 4.44Å; P774-F776 PolarHBondContact O-N 3.24Å
775V38.2Very low35.5Very low112 Ų112132.2 Ų132.268%0.67976%0.762SS**  trans-72.991.7177.7-175.90000108.7P773 R777P773-V775 PolarHBondContact O-N 3.15Å; V775-R777 HydrophobicContact CG1-CG 3.97Å; V775-R777 PolarHBondContact O-N 2.87Å
776F35.8Very low35.8Very low197 Ų197134.3 Ų134.386%0.86477%0.772SS**  trans-65.886.2162.8-79.6-76.6000109.2P774 L778P774-F776 HydrophobicContact CG-CE2 4.44Å; P774-F776 PolarHBondContact O-N 3.24Å; F776-L778 PolarHBondContact O-N 3.06Å
777R32.4Very low35.6Very low198 Ų198136.3 Ų136.375%0.74777%0.772SS**  trans-60.7122.6169.1-72.9-174.7171.2165.9-2.3108.5V775 N779V775-R777 HydrophobicContact CG1-CG 3.97Å; V775-R777 PolarHBondContact O-N 2.87Å; R777-N779 WeakPolarHBondContact CB-OD1 3.35Å; R777-N779 PolarHBondContact O-N 3.04Å
778L33.5Very low35.8Very low173 Ų173135.4 Ų135.491%0.90677%0.769SS**  trans-65.583.5159-81.3163.2000108.2F776 T780F776-L778 PolarHBondContact O-N 3.06Å; L778-T780 PolarHBondContact O-N 3.32Å; L778-T780 VanDerWaalsContact O-N 3.13Å
779N35.6Very low35.7Very low134 Ų134134.1 Ų134.172%0.71777%0.767SS**  trans-72.8102.6171.1-84.88.5000108.4R777 L781R777-N779 WeakPolarHBondContact CB-OD1 3.35Å; R777-N779 PolarHBondContact O-N 3.04Å; N779-L781 PolarHBondContact O-N 3.3Å; N779-L781 VanDerWaalsContact O-N 3.14Å
780T30.4Very low35.8Very low128 Ų128135 Ų13579%0.78577%0.772SS**  trans-49.5113.1172.5-52.60000111.6L778 A782L778-T780 PolarHBondContact O-N 3.32Å; L778-T780 VanDerWaalsContact O-N 3.13Å; T780-A782 HydrophobicContact CG2-CB 4.45Å
781L34.8Very low36.3Very low168 Ų168134.1 Ų134.188%0.8876%0.764SS**  trans-87.799155.9-88.8169.5000108N779N779-L781 PolarHBondContact O-N 3.3Å; N779-L781 VanDerWaalsContact O-N 3.14Å
782A30.4Very low36.3Very low74 Ų74134.3 Ų134.361%0.61276%0.761SS**  trans-74.6135.5170.100000109.7T780T780-A782 HydrophobicContact CG2-CB 4.45Å
783V38.1Very low36.4Very low147 Ų147132.7 Ų132.789%0.89176%0.756SS**  trans-114.3127163.8177.70000107.2
784T31.8Very low36Very low119 Ų119135.4 Ų135.473%0.7376%0.759SS**  trans-111.3123.5-161.249.90000113.2
785T38Very low35.8Very low136 Ų136137.2 Ų137.283%0.83476%0.759SS**  trans-168.8140.4158.433.60000109.1
786T37.8Very low35.8Very low127 Ų127140.3 Ų140.378%0.77977%0.765SS**  cis-151158.7-19.9-65.60000108.5
787M36.2Very low35.7Very low162 Ų162136.9 Ų136.980%0.79876%0.761SS**  trans-66.2-178.8174.5-67.4-928400113.4
788P37.7Very low35.6Very low112 Ų112132 Ų13273%0.72776%0.757SS**  cis-142.4159.98.337.7-17000119.8
789A33.5Very low35.6Very low87 Ų87130.4 Ų130.472%0.71975%0.754SS**  trans57.9164136.700000120.8
790T38.6Very low35.5Very low118 Ų118127.7 Ų127.772%0.72476%0.758SS**  cis-151.3149.126.540.30000114.8
791T40.6Very low35.7Very low122 Ų122127.2 Ų127.275%0.74876%0.76SS**  trans61.1148.9149.653.40000119.9
792N36.4Very low36.2Very low127 Ų127124 Ų12468%0.67975%0.749SS**  cis-148.2136.28.2-123-2.3000113
793I39Very low36.5Very low136 Ų136127.8 Ų127.870%0.69776%0.759SS**  34.2120.7128-56.5175.2000116.9
794H36.8Very low36.2Very low161 Ų161124.9 Ų124.975%0.74575%0.745SS**  -159.5167.471.5-156.4-88.5000115.5
795H36.5Very low36.4Very low144 Ų144129.7 Ų129.767%0.66775%0.75SS**  trans-64.8170.2167.6-50.7-100.7000112.1
796Q37.1Very low36.2Very low176 Ų176128.8 Ų128.882%0.82274%0.74SS**  cis-159.4161.523.2-151.9150.619.300115.5
797V33.6Very low36.2Very low126 Ų126130.1 Ų130.176%0.76474%0.741SS**  trans-58.8154170165.70000114.7
798S30.9Very low36.2Very low96 Ų96127.4 Ų127.467%0.67174%0.739SS**  trans95.8138.3150.3-94.20000123.2
799T34.8Very low36.2Very low139 Ų139125.1 Ų125.185%0.85374%0.735SS**  trans60.4127.1145.453.70000121.8
800G33.6Very low36.4Very low76 Ų76127.9 Ų127.978%0.78474%0.738SS**  trans119.5109.3139.600000117.4
801S32.8Very low36.3Very low119 Ų119129.6 Ų129.683%0.83274%0.737SS**  trans-69161133.6-74.20000108.7
802P45.2Very low36.1Very low100 Ų100129.9 Ų129.965%0.64974%0.739SS**  cis-139.2-179.523.238.1-17.7000115.2
803N38.1Very low36.3Very low153 Ų153128.4 Ų128.482%0.81874%0.736SS**  179.2157.4108.8-93.9-44.1000113.9
804S32.1Very low36.1Very low87 Ų87132.6 Ų132.661%0.60875%0.745SS**  trans-92159.3172.760.20000111.8
805R34.5Very low35.7Very low220 Ų220128.7 Ų128.783%0.8374%0.736SS**  trans70.4155.4157.3-76.9174.6179.4156.30.8115.1
806D35.1Very low35.6Very low117 Ų117131.6 Ų131.663%0.62675%0.747SS**  cis-155.7162.84.6-124.8-27.7000111.3
807L37.2Very low35.3Very low154 Ų154126 Ų12681%0.80674%0.737SS**  trans63163.2154.9-62.4164.9000117.5
808S36.6Very low35.4Very low106 Ų106125 Ų12574%0.74174%0.736SS**  cis-166.3150.7-2551.30000111.5
809G37.6Very low35.6Very low64 Ų64127.2 Ų127.266%0.6674%0.74SS**  trans81.6171.2159.100000117.3
810N36.8Very low35.4Very low145 Ų145127.1 Ų127.178%0.77573%0.734SS**  cis168.8122.1-38.5-100.17.3000107.9
811H37.3Very low35.3Very low153 Ų153132.5 Ų132.571%0.70874%0.736SS**  trans55.5100.7148.8-58.4-65.3000123.4
812T36.6Very low35.3Very low129 Ų129132.8 Ų132.879%0.79173%0.733SS**  63.6-174.9127.667.20000119
813P40.7Very low34.7Very low95 Ų95131.3 Ų131.362%0.61773%0.729SS**  cis-130.8-177.8-21.725.6-2.6000114.4
814Y33.9Very low34.6Very low224 Ų224130.2 Ų130.288%0.87872%0.723SS**  trans56.9162.1163.6-68.1-75.9000117.7
815S29.3Very low34.8Very low80 Ų80133 Ų13356%0.55973%0.726SS**  cis161.7159.8-25.9-179.20000105.9
816F34.8Very low34.8Very low204 Ų204129.2 Ų129.290%0.89572%0.722SS**  trans64.8146.4-169.4-49.7-88.3000113.3
817G31Very low35Very low59 Ų59131.2 Ų131.261%0.60873%0.731SS**  cis166164.7-8.900000112.2
818S34.6Very low35.1Very low106 Ų106131.2 Ų131.274%0.74173%0.732SS**  trans60120.5160.844.80000120.8
819N35Very low34.9Very low141 Ų141130 Ų13075%0.75473%0.729SS**  74.9113.8129.5-55-9.4000121
820N31.1Very low35.4Very low137 Ų137133.2 Ų133.273%0.73374%0.738SS**  38.5154.2112.9-60.8-8.3000121.8
821F31.9Very low35.3Very low189 Ų189136 Ų13683%0.82974%0.743SS**  trans80.3144.1170.9-64-90.3000116.2
822V32.3Very low35.5Very low125 Ų125140.9 Ų140.976%0.75876%0.755SS**  cis-168.4175-32.7102.10000109.1
823A32.6Very low35.4Very low69 Ų69141.6 Ų141.657%0.5775%0.754SS**  trans80.4154.8157.200000120.9
824D35.7Very low35.3Very low131 Ų131144.3 Ų144.370%0.70176%0.762SS**  trans72.8134.6145.6-58.2-17.4000121.5
825H36.9Very low35.4Very low144 Ų144139.4 Ų139.467%0.66775%0.751SS**  cis-154.4141.1-1-121.813.7000112.5
826L33.2Very low35.7Very low142 Ų142141.1 Ų141.174%0.74376%0.762SS**  trans35.9157.8137.7-59.8173.5000124.2
827I40.3Very low35.8Very low158 Ų158137.8 Ų137.881%0.8175%0.751SS**  trans101.7120.8166.4-61.4173.2000113
828N40.3Very low36Very low154 Ų154139.9 Ų139.982%0.82476%0.757SS**  cis-149.1169.2-1.9-149.4-12.4000112.8
829A31.3Very low36Very low82 Ų82141.2 Ų141.268%0.67876%0.756SS**  trans-154.7154.5171.400000113.2
830P47.7Very low36.1Very low131 Ų131138.4 Ų138.485%0.85175%0.747SS**  trans-123.6127.2155.534.1-21.7000112.6
831K35.9Very low36.4Very low202 Ų202139.3 Ų139.388%0.87875%0.752SS**  trans-78.5152.1172.7-64.2177.2178.91780111.3
832R41Very low36.5Very low256 Ų256135.5 Ų135.597%0.96675%0.749SS**  trans-124156.4145.5-83-173.2169.6157.5-1.4109.5
833N33.2Very low36.8Very low144 Ų144134.7 Ų134.777%0.7775%0.749SS**  trans-139.7146.3-157.4179.427.9000109.5
834I39.7Very low36.8Very low153 Ų153139 Ų13979%0.78576%0.762SS**  trans-167.7132.9157.1-97.3142.8000108.9
835N35.3Very low36.8Very low120 Ų120142.9 Ų142.964%0.64277%0.769SS**  trans1.6149.9156.6-51.5-8.5000119.4
836C35.9Very low36.7Very low117 Ų117140.5 Ų140.579%0.79177%0.768SS**  cis-140.8132.846.6-72.70000112.6
837I36.5Very low36.8Very low133 Ų133139.4 Ų139.468%0.68277%0.767SS**  75.4106.784-63.1165.6000114.5
838S35.5Very low36.6Very low103 Ų103138.9 Ų138.972%0.7277%0.765SS**  trans62.1147.8151.3-69.50000120.9
839N35.3Very low36.3Very low135 Ų135137.9 Ų137.972%0.72276%0.76SS**  cis-153.8154.32.7-12824.2000113.6
840S37.2Very low36.5Very low82 Ų82139.4 Ų139.457%0.57376%0.761SS**  trans32.2111.8151.356.20000120.1
841N36.2Very low36Very low155 Ų155138.7 Ų138.783%0.82975%0.754SS**  73.8126.586.3-61.3-6.6000113.6
842S34.4Very low36.1Very low109 Ų109136.2 Ų136.276%0.76275%0.749SS**  cis71.391.746.3-179.10000114.9
843S38.7Very low35.9Very low109 Ų109128.6 Ų128.676%0.76274%0.735SS**  170.6137.1119.854.10000112.2
844D32.6Very low36.2Very low159 Ų159127.7 Ų127.785%0.8574%0.735SS**  trans-73.1129.5163.5-57.5-77.2000110.7
845Y36.2Very low36.2Very low213 Ų213126.6 Ų126.684%0.83574%0.736SS**  trans-158.1103152.8-111-73.4000112.9
846S34.6Very low36.4Very low94 Ų94124.5 Ų124.566%0.65774%0.735SS**  trans61.8136.1139.969.40000122.9
847T35.7Very low36.5Very low119 Ų119125.9 Ų125.973%0.7374%0.735SS**  trans90.1117.9146.6-26.50000118.7
848L34.8Very low36.7Very low146 Ų146125.3 Ų125.376%0.76474%0.738SS**  trans15.6143.1141.5-49.3167.9000118.3
849D33.8Very low36.8Very low133 Ų133125.9 Ų125.971%0.71174%0.737SS**  cis-171.3162.648.2-132.9-34.5000113.6
850T35.4Very low36.9Very low115 Ų115124.5 Ų124.571%0.70674%0.738SS**  trans63.8140160-53.10000116.9
851T39Very low36.9Very low115 Ų115125.3 Ų125.371%0.70674%0.743SS**  cis-149.7126.319.4-5.70000107.2
852I37.8Very low37Very low151 Ų151123.6 Ų123.677%0.77474%0.738SS**  65.6120.687.8-63.9176.7000116.9
853S36.9Very low37Very low96 Ų96124.3 Ų124.367%0.67174%0.738SS**  trans95.2122.9149.6-77.60000124.1
854T39Very low36.9Very low124 Ų124125.6 Ų125.676%0.76174%0.736SS**  trans65.6143.4140.554.80000119.5
855T39.4Very low36.8Very low131 Ų131123.5 Ų123.580%0.80473%0.733SS**  cis-170.5164.92.519.70000106.8
856A39.6Very low36.9Very low76 Ų76120.5 Ų120.563%0.62873%0.73SS**  cis-174.5-171.7-21.500000107.8
857N38.7Very low37.1Very low146 Ų146121.2 Ų121.278%0.78174%0.735SS**  trans81.8112.1-177.3-46.6-18.5000113.3
858T39.1Very low37.3Very low121 Ų121122.6 Ų122.674%0.74274%0.738SS**  cis69.7142.330.188.20000113.7
859T38.6Very low37.8Very low114 Ų114119.6 Ų119.670%0.69973%0.727SS**  cis-161.2156.825.2-31.30000113
860S37.6Very low37.9Very low106 Ų106122.5 Ų122.574%0.74173%0.734SS**  trans63.4154.9148.344.80000121.8
861S37.5Very low38Very low99 Ų99126.1 Ų126.169%0.69274%0.743SS**  cis-177.2162.4-20.154.30000113.6
862T37.4Very low38Very low119 Ų119125.8 Ų125.873%0.7375%0.745SS**  trans83.3128.4154.2-42.60000117.4
863T34.2Very low37.9Very low124 Ų124125.6 Ų125.676%0.76175%0.745SS**  cis123.7148.12-58.30000111.8
864I37.6Very low38Very low137 Ų137128.9 Ų128.970%0.70375%0.752SS**  trans80.8125.7176.1-43.4179.1000115I866I864-I866 HydrophobicContact CG2-CG1 4.47Å
865S29.6Very low38.1Very low114 Ų114129.2 Ų129.280%0.79775%0.748SS**  cis96.587.1-0.6-40.10000120.1
866I39.8Very low38.1Very low150 Ų150129.6 Ų129.677%0.76975%0.745SS**  trans-150.4119.9161.6-59.4-173.9000105.7I864I864-I866 HydrophobicContact CG2-CG1 4.47Å
867S38.6Very low38Very low110 Ų110132.5 Ų132.577%0.76975%0.75SS**  78.7141.561.6-550000115
868D39.5Very low37.9Very low147 Ų147131.9 Ų131.979%0.78676%0.755SS**  cis-150.4-129.6-25.7-164.520.1000111.3
869P43.9Very low37.7Very low83 Ų83135.6 Ų135.654%0.53976%0.761SS.*  trans-137.9166.2-138.945.3-25.3000121.5
870K35.9Very low37.6Very low195 Ų195136.3 Ų136.385%0.84877%0.768SS**  trans74.2167.2142-78.4162.8-176.6170.80122
871Q37.6Very low37.6Very low191 Ų191136.3 Ų136.389%0.89377%0.768SS**  trans73.5144172.7-74.2178.7-16.800116.7
872S39.2Very low37.6Very low107 Ų107136.6 Ų136.675%0.74877%0.765SS**  cis-153.1172.2-5.848.80000112.4
873D36Very low37.4Very low148 Ų148139.8 Ų139.879%0.79177%0.769SS**  trans-60154.9-175.5-47.4-99.4000116.1
874M40Very low37.3Very low165 Ų165139.6 Ų139.681%0.81377%0.768SS**  -178.1113.2120.2-98.7176.16800115.3
875I39.5Very low36.9Very low130 Ų130139.1 Ų139.167%0.66777%0.772SS**  44.6102.6128-49.9171000119
876N40Very low37Very low140 Ų140139.8 Ų139.875%0.74978%0.775SS**  -178.6138.6108.4-108.9-47.6000118
877N37.1Very low36.7Very low136 Ų136137.8 Ų137.873%0.72778%0.775SS**  trans-28138.4164-58.2-77.9000120.6
878C37.1Very low36.3Very low133 Ų133139.3 Ų139.390%0.89978%0.779SS**  -166.3127108.4-115.60000116.6
879K34.5Very low36.3Very low199 Ų199139 Ų13987%0.86578%0.782SS**  trans-38.4153.6-176.1-64.6169.4176177.30121.9
880P37.4Very low35.8Very low130 Ų130144 Ų14484%0.84480%0.795SS**  trans-105.1-179.6164.641.8-35000114.8
881S37Very low35.9Very low105 Ų105140.2 Ų140.273%0.73479%0.79SS**  trans-148.3119.7165.9-166.70000109.2
882V36.9Very low35.8Very low105 Ų105139 Ų13964%0.63679%0.788SS**  34.2140.480.7-85.10000115.9
883F33.1Very low35.7Very low187 Ų187142.5 Ų142.582%0.8279%0.792SS**  cis-144.5176.111.4-90.5-60.9000108.9
884T33.7Very low35.7Very low120 Ų120145.1 Ų145.174%0.73680%0.8SS**  cis-158.7169.10.3-122.20000110.4
885T29.6Very low35.3Very low126 Ų126142.2 Ų142.277%0.77380%0.796SS**  trans-111.6139.2175.451.20000114.9
886C30.6Very low35.1Very low128 Ų128143.8 Ų143.887%0.86580%0.8SS**  trans-162.3160.7156.5-93.90000110.2
887S32.9Very low34.9Very low109 Ų109147.2 Ų147.276%0.76281%0.809SS**  cis-177.4147.6-41.3-99.10000107.4
888V31.2Very low35Very low141 Ų141145 Ų14586%0.85581%0.81SS**  trans-81.2135.2-170.2176.90000113.4
889V38.5Very low35.1Very low140 Ų140144.4 Ų144.485%0.84880%0.804SS**  trans-139.6142.6156.9-175.20000109.4
890K34.9Very low35.2Very low189 Ų189142.9 Ų142.982%0.82281%0.805SS**  trans-108.4165.2177.3-106.6-167.3174.1-175.80111.7
891P37.2Very low35.1Very low115 Ų115144.3 Ų144.375%0.74780%0.8SS**  trans-90.3168.3-15136.3-39.8000116.1
892I35.9Very low35.3Very low165 Ų165145.5 Ų145.585%0.84680%0.802SS**  trans-130.8137.3165.2-62.7179.6000108.8
893H36.6Very low35.2Very low181 Ų181148.6 Ų148.684%0.83881%0.808SS**  trans-77142.5172.7-79.5-114.8000111.7
894Q35.5Very low35.5Very low204 Ų204147.2 Ų147.295%0.95381%0.809SS**  trans-160.7-179.8138-113.4165.93900112.9
895S31.8Very low35.5Very low104 Ų104152.3 Ų152.373%0.72781%0.814SS**  trans-108.7171.5-149.5-160.50000116
896Q34.9Very low36.3Very low163 Ų163152.6 Ų152.676%0.76282%0.818SS**  trans-29.7134.3171.8-58.7166.8-1000116.1
897F36.1Very low36.4Very low211 Ų211151.7 Ų151.793%0.92581%0.814SS**  -168168.8120.5-94.6-63.3000109.4
898A38.6Very low36.7Very low91 Ų91153.5 Ų153.575%0.75282%0.82SS**  trans-134.8-174.3-174.400000110
899P39.3Very low37Very low119 Ų119150.7 Ų150.777%0.77381%0.811SS**  cis-120.4175.3-43.837.1-25.1000111.4
900L37Very low36.8Very low168 Ų168150.2 Ų150.288%0.8881%0.808SS**  trans-158.7140.5157.4-115.3166000113.2
901H35.4Very low36.9Very low159 Ų159147 Ų14774%0.73681%0.809SS**  trans-86142.5171.2-96.3-98.5000110.9
902V41.5Very low36.9Very low130 Ų130149 Ų14979%0.78881%0.814SS**  trans-133.7122.9157.9-177.60000108.9
903F34.1Very low36.8Very low171 Ų171145.9 Ų145.975%0.7581%0.807SS**  trans-94.1136.3170-87.5-93.5000109.5
904N40.4Very low37.1Very low158 Ų158144.1 Ų144.185%0.84580%0.802SS**  trans-114.9126.9159.8-82.9-15.5000109.5
905R33.5Very low37.3Very low227 Ų227140.4 Ų140.486%0.85779%0.789SS**  trans-119.9137.3165.6-80.2-173.8172.7-164.7-1108.5
906P45.6Very low37.4Very low132 Ų132141.4 Ų141.486%0.85779%0.786SS**  trans-80.8150.8156.533.9-31.4000110.5
907S34.3Very low37.4Very low109 Ų109139.2 Ų139.276%0.76278%0.784SS**  trans-158.6133.3174.5570000110.6
908V37.8Very low37.4Very low147 Ų147134.7 Ų134.789%0.89177%0.774SS**  trans-170.1153.7159.7129.60000109.8
909A38.6Very low37.2Very low81 Ų81136.7 Ų136.767%0.66978%0.777SS**  trans13.7127.6168.500000120
910V33.3Very low36.9Very low131 Ų131138.8 Ų138.879%0.79478%0.778SS**  cis69.2102.341.3-172.30000114.3
911S38Very low36.8Very low120 Ų120138.5 Ų138.584%0.83978%0.778SS**  trans-162.4149.4143.1-86.50000108.2
912D36.7Very low36.7Very low157 Ų157136 Ų13684%0.8478%0.778SS**  trans-87.2157.6-165-48.3-88.1000114.7
913S34.2Very low36.2Very low101 Ų101135.3 Ų135.371%0.70678%0.779SS**  170.9115.7123.1-167.30000113.6
914I43.3Very low36.4Very low144 Ų144135 Ų13574%0.73878%0.78SS**  trans67.5108137.7-67.5176.6000120.1
915D38.9Very low36.6Very low125 Ų125132.9 Ų132.967%0.66878%0.777SS**  trans93.9120.6133.1-79.231.5000125
916N34.6Very low37.1Very low126 Ų126127.6 Ų127.667%0.67477%0.766SS**  trans68.6122.2137.3-56-26.7000119.9
917T34.8Very low37.1Very low117 Ų117124.3 Ų124.372%0.71875%0.746SS**  cis-158.8160.3-7.1-90000112
918T34.9Very low37.8Very low116 Ų116124.8 Ų124.871%0.71274%0.739SS**  trans-19.4148.3156.254.10000118
919T36.1Very low38.1Very low133 Ų133121.3 Ų121.382%0.81672%0.72SS**  cis-162.4164.312.4-0.50000112.8
920M31.8Very low38.9Very low163 Ų163122.1 Ų122.180%0.80371%0.712SS**  trans-58.2147.3165.8-70.8-102.6-71.600113.9
921N35.9Very low40.2Very low162 Ų162118.4 Ų118.487%0.86670%0.695SS**  -173153.5117.8-96.7-32000114.1
922S31.6Very low41Very low107 Ų107117.1 Ų117.175%0.74868%0.679SS**  trans-90.9129.1-175.656.20000113.8
923S32.8Very low42.1Very low115 Ų115118.6 Ų118.680%0.80467%0.673SS**  trans-177.4110.7150.8-86.10000112.4
924Q38Very low43.5Very low163 Ų163120.5 Ų120.576%0.76267%0.67SS**  trans-134.60.5165.1-75.6-157.31.100115.5N926 S927Q924-N926 PolarHBondContact O-N 3.16Å; Q924-S927 PolarHBondContact O-N 3.39Å; Q924-S927 PolarHBondContact O-OG 2.83Å; Q924-S927 VanDerWaalsContact O-OG 3.05Å
925S44Very low44.6Very low114 Ų114124.3 Ų124.380%0.79768%0.675SS**THydrogen-bonded Turntrans-63-6.2179.7-42.80000115.6
926N43Very low45.6Very low117 Ų117124.5 Ų124.563%0.62668%0.676SS**THydrogen-bonded Turntrans-99.4-16.8178.8-74.6-21.5000114.4Q924 C929 I930Q924-N926 PolarHBondContact O-N 3.16Å; N926-C929 PolarHBondContact O-N 3.23Å; N926-I930 WeakPolarHBondContact O-CG1 3.31Å; N926-I930 PolarHBondContact O-N 2.97Å
927S46.3Very low46.9Very low63 Ų63126.5 Ų126.544%0.44168%0.679SS.*Hα-helixtrans-66.1-43.6-175.358.90000111.9Q924 C929 I930 A931Q924-S927 PolarHBondContact O-N 3.39Å; Q924-S927 PolarHBondContact O-OG 2.83Å; Q924-S927 VanDerWaalsContact O-OG 3.05Å; S927-C929 PolarHBondContact O-N 3.01Å; S927-I930 PolarHBondContact O-N 2.9Å; S927-A931 WeakPolarHBondContact O-CB 3.49Å; S927-A931 PolarHBondContact O-N 3.42Å
928I48.8Very low47.3Very low119 Ų119124.1 Ų124.161%0.6168%0.677SS**Hα-helixtrans-60.6-42.6177.4-70173.1000111.4I930 A931 L932I928-I930 VanDerWaalsContact C-N 3.32Å; I928-I930 PolarHBondContact O-N 3.24Å; I928-A931 PolarHBondContact O-N 3.16Å; I928-L932 HydrophobicContact CG2-CD1 3.89Å; I928-L932 HydrophobicContact CG2-CG 4.43Å; I928-L932 WeakPolarHBondContact O-CB 3.35Å; I928-L932 VanDerWaalsContact O-CG 3.32Å; I928-L932 WeakPolarHBondContact O-CG 3.36Å; I928-L932 PolarHBondContact O-N 3.05Å
929C45.6Very low47.6Very low73 Ų73122.1 Ų122.149%0.49368%0.679SS.*Hα-helixtrans-67.9-30.3178.8-63.50000113.2N926 S927 R933N926-C929 PolarHBondContact O-N 3.23Å; S927-C929 PolarHBondContact O-N 3.01Å; C929-R933 WeakPolarHBondContact O-CG 3.38Å; C929-R933 PolarHBondContact O-N 3.21Å
930I55Low47.8Very low98 Ų98123.2 Ų123.250%0.50368%0.679SS.*Hα-helixtrans-75.5-45.2174.6-66.3168.2000110.3N926 S927 I928 L932 R933 Q934N926-I930 WeakPolarHBondContact O-CG1 3.31Å; N926-I930 PolarHBondContact O-N 2.97Å; S927-I930 PolarHBondContact O-N 2.9Å; I928-I930 VanDerWaalsContact C-N 3.32Å; I928-I930 PolarHBondContact O-N 3.24Å; I930-L932 VanDerWaalsContact C-N 3.34Å; I930-L932 PolarHBondContact O-N 3.31Å; I930-R933 PolarHBondContact O-N 3.07Å; I930-R933 VanDerWaalsContact O-N 3.12Å; I930-Q934 PolarHBondContact O-N 2.93Å
931A59.3Low48.2Very low53 Ų53123.1 Ų123.144%0.43868%0.682SS.*Hα-helixtrans-59.9-41.3176.100000112.3S927 I928 Q934 R935S927-A931 WeakPolarHBondContact O-CB 3.49Å; S927-A931 PolarHBondContact O-N 3.42Å; I928-A931 PolarHBondContact O-N 3.16Å; A931-Q934 PolarHBondContact O-N 3.32Å; A931-R935 VanDerWaalsContact O-CB 3.31Å; A931-R935 WeakPolarHBondContact O-CB 3.15Å; A931-R935 PolarHBondContact O-N 3.3Å
932L56.1Low48.2Very low94 Ų94123.8 Ų123.849%0.49268%0.68SS.*Hα-helixtrans-64.5-37.8174.2-74.8170.3000112.3I928 I930 R935 L936I928-L932 HydrophobicContact CG2-CD1 3.89Å; I928-L932 HydrophobicContact CG2-CG 4.43Å; I928-L932 WeakPolarHBondContact O-CB 3.35Å; I928-L932 VanDerWaalsContact O-CG 3.32Å; I928-L932 WeakPolarHBondContact O-CG 3.36Å; I928-L932 PolarHBondContact O-N 3.05Å; I930-L932 VanDerWaalsContact C-N 3.34Å; I930-L932 PolarHBondContact O-N 3.31Å; L932-R935 PolarHBondContact O-N 3.47Å; L932-L936 VanDerWaalsContact O-CB 3.31Å; L932-L936 WeakPolarHBondContact O-CB 3.45Å; L932-L936 VanDerWaalsContact O-CG 3.25Å; L932-L936 WeakPolarHBondContact O-CG 3.45Å; L932-L936 PolarHBondContact O-N 3.32Å
933R58.9Low48.4Very low188 Ų188127.4 Ų127.471%0.70969%0.689SS**Hα-helixtrans-65.5-45.6174.2-78.2-177-179.9-159.20.6112.3C929 I930 R935 L936 F937C929-R933 WeakPolarHBondContact O-CG 3.38Å; C929-R933 PolarHBondContact O-N 3.21Å; I930-R933 PolarHBondContact O-N 3.07Å; I930-R933 VanDerWaalsContact O-N 3.12Å; R933-R935 VanDerWaalsContact C-N 3.29Å; R933-R935 PolarHBondContact O-N 2.85Å; R933-L936 PolarHBondContact O-N 3.45Å; R933-F937 PolarHBondContact O-N 3.29Å
934Q63.3Low48.5Very low141 Ų141126.3 Ų126.366%0.65968%0.682SS**Hα-helixtrans-62.2-36.4176.6-73177.6-26.900112I930 A931I930-Q934 PolarHBondContact O-N 2.93Å; A931-Q934 PolarHBondContact O-N 3.32Å
935R67.6Low48.3Very low224 Ų224126.2 Ų126.285%0.84569%0.687SS**Hα-helixtrans-76.8-24.2178.7-163.7170.5-174.1136.6-0114.4A931 L932 R933A931-R935 VanDerWaalsContact O-CB 3.31Å; A931-R935 WeakPolarHBondContact O-CB 3.15Å; A931-R935 PolarHBondContact O-N 3.3Å; L932-R935 PolarHBondContact O-N 3.47Å; R933-R935 VanDerWaalsContact C-N 3.29Å; R933-R935 PolarHBondContact O-N 2.85Å
936L59.5Low47.8Very low129 Ų129126.4 Ų126.468%0.67569%0.688SS**Hα-helixtrans-96.5-24.2-179.7-71.1170.5000114.2L932 R933L932-L936 VanDerWaalsContact O-CB 3.31Å; L932-L936 WeakPolarHBondContact O-CB 3.45Å; L932-L936 VanDerWaalsContact O-CG 3.25Å; L932-L936 WeakPolarHBondContact O-CG 3.45Å; L932-L936 PolarHBondContact O-N 3.32Å; R933-L936 PolarHBondContact O-N 3.45Å
937F62.5Low47.4Very low168 Ų168128.8 Ų128.874%0.73770%0.699SS**SBendtrans-129.447.5-175.1-61.4-79.4000111.7R933 G939R933-F937 PolarHBondContact O-N 3.29Å; F937-G939 PolarHBondContact O-N 3.39Å
938G42.2Very low46.9Very low66 Ų66131.2 Ų131.268%0.6872%0.716SS**  trans-50.9100.6-170.800000114.5
939G41.5Very low46Very low74 Ų74130.4 Ų130.476%0.76372%0.72SS**  trans-92.2135.4164.600000109.6F937F937-G939 PolarHBondContact O-N 3.39Å
940I39.5Very low45.6Very low157 Ų157135.1 Ų135.181%0.80574%0.735SS**  trans-111.1112.1178.7-54.6167.6000107
941D40.2Very low44.7Very low161 Ų161138 Ų13886%0.86174%0.744SS**  trans-133132.4162.1-80.3-56.7000107.1
942E36.3Very low43.6Very low176 Ų176142.5 Ų142.582%0.82276%0.76SS**  trans-79.9136-170.8-64.618011100112.2
943L36.8Very low42.5Very low182 Ų182141.5 Ų141.595%0.95376%0.761SS**  trans-129.574.5169.7-104.8167.6000110.2
944S34.8Very low41.4Very low92 Ų92140.5 Ų140.564%0.64376%0.764SS**  trans-101.599.917344.20000110.7
945N33.6Very low40.2Very low162 Ų162139.5 Ų139.587%0.86676%0.763SS**  trans-163.893.6150.2-103.3-31.9000110
946S33.4Very low38.8Very low117 Ų117136.4 Ų136.482%0.81876%0.758SS**  trans-76.8123.9171.251.10000110.6
947I33.8Very low37.9Very low168 Ų168137.8 Ų137.886%0.86276%0.761SS**  trans-116.8103.7161.6-61.8178.6000107.3
948S37.3Very low37Very low113 Ų113135.8 Ų135.879%0.7976%0.758SS**  trans-87.5144.3167.2540000109.9
949S30.2Very low36.9Very low102 Ų102138.5 Ų138.571%0.71376%0.757SS**  trans-94.1164.3-177.449.80000113.3
950H36.6Very low37Very low173 Ų173141.2 Ų141.280%0.80175%0.753SS**  trans102.4152.4172.9-72.2-123000117.8
951K35.8Very low37Very low157 Ų157139.4 Ų139.468%0.68375%0.746SS**  cis-178111.2-36.1-176.4-177.1-175-161.30109.3
952L35.8Very low37Very low149 Ų149138.3 Ų138.378%0.7874%0.739SS**  trans61.3164.9164.6-62.9170.4000115.4
953S32.9Very low37.3Very low72 Ų72137 Ų13750%0.50373%0.733SS.*  cis-165.2163.5-26.846.30000108.9
954E36.6Very low37.3Very low167 Ų167133.9 Ų133.978%0.7872%0.717SS**  trans63.9156.2160.8-67.2134.9164.200116.6
955D36.6Very low37.6Very low121 Ų121136.3 Ų136.365%0.64772%0.722SS**  cis-153.6165.8-11.2-137.3-36.1000111.8
956H39.1Very low37.9Very low158 Ų158135.8 Ų135.873%0.73172%0.718SS**  trans60.6172.3156.7-72.323.3000119.3
957H41.3Very low38.4Very low159 Ų159135 Ų13574%0.73671%0.711SS**  -163.2170.2-59.9-139-95.1000108.7
958D43.4Very low38.5Very low125 Ų125134.5 Ų134.567%0.66871%0.71SS**  trans66.4150.6163.7-57.1-19000117.8
959N40.1Very low38.8Very low124 Ų124133.9 Ų133.966%0.66370%0.703SS**  cis-158173.5-22-118.3-35.4000109.5
960D42.7Very low39.3Very low130 Ų130136.2 Ų136.270%0.69571%0.707SS**  trans63.9144.1160.3-58.7-29.3000118.6
961N40.3Very low39.3Very low120 Ų120134.8 Ų134.864%0.64271%0.705SS**  cis-157.9160.2-19.8-114.8-42.9000109.6
962L40.2Very low39.2Very low137 Ų137132.6 Ų132.672%0.71771%0.71SS**  trans29.7137145.6-59.8160.5000119.3
963E41.4Very low39.6Very low149 Ų149131.7 Ų131.770%0.69671%0.713SS**  cis-168.4169.829.1-147.2173-132.200113.8
964N38.6Very low39.8Very low116 Ų116131.9 Ų131.962%0.6272%0.719SS**  trans86.2106.1150.8-70.1-46.8000123.2
965I40.5Very low39.9Very low144 Ų144129.4 Ų129.474%0.73872%0.72SS**  trans84.379.4130.9-55166.4000117.9
966D39.2Very low39.9Very low150 Ų150128.5 Ų128.580%0.80272%0.723SS**  52.8136.7122.6-81.6-35.6000124
967P45Very low39.8Very low102 Ų102126.1 Ų126.166%0.66272%0.724SS**  trans-99.7175.5168.941.5-35.6000113.2
968N35.7Very low39.5Very low156 Ų156123.5 Ų123.583%0.83472%0.724SS**  -166.2147.3129.8-105.5-55.9000112.8
969P43.6Very low39.1Very low101 Ų101122 Ų12266%0.65672%0.723SS**  trans-95.9175.8170.439.6-33.8000111.7
970L39Very low38.4Very low150 Ų150121.8 Ų121.879%0.78573%0.73SS**  trans-169.9165.7140.5-128.868000113.6
971N37.7Very low37.8Very low143 Ų143120.4 Ų120.477%0.76573%0.731SS**  trans76.384.1157.9-59.3-20.8000120.7
972S33.5Very low37.2Very low112 Ų112122.7 Ų122.778%0.78374%0.742SS**  trans-66.2-171.5137.4-22.70000110.7
973P43.9Very low36.9Very low129 Ų129121.8 Ų121.884%0.83875%0.747SS**  cis-126.4-150.424.733-6.8000111.3
974A37.9Very low36.6Very low77 Ų77119.1 Ų119.164%0.63675%0.745SS**  cis-1601728.700000113
975S37.9Very low36.3Very low115 Ų115123.2 Ų123.280%0.80476%0.757SS**  trans61136.8161.248.40000119.5
976S37.8Very low36.1Very low102 Ų102121.5 Ų121.571%0.71376%0.758SS**  cis-168.7143.3-6.847.10000112.5
977S35.7Very low35.8Very low108 Ų108122.7 Ų122.776%0.75576%0.759SS**  trans52.7139.5146.756.90000121.3
978S35.3Very low35.4Very low104 Ų104123.5 Ų123.573%0.72776%0.756SS**  cis-173.4163.9-3.1450000112
979S34.1Very low35.3Very low93 Ų93124.5 Ų124.565%0.6576%0.756SS**  trans7127.6154560000119.6
980C27.2Very low34.9Very low119 Ų119124.5 Ų124.580%0.80476%0.758SS**  71.2138.660.3-63.50000116.6
981S28.3Very low34.6Very low102 Ų102124.2 Ų124.271%0.71376%0.757SS**  trans71.3120152.145.90000123.4
982L28.9Very low34.2Very low167 Ų167122.3 Ų122.387%0.87475%0.751SS**  trans50.1115.1139.1-73.783.1000121.9
983S34.3Very low34.2Very low118 Ų118125.4 Ų125.483%0.82575%0.75SS**  trans-167.2152.9142.5-174.50000109.3
984S33.4Very low33.6Very low94 Ų94125.8 Ų125.866%0.65774%0.741SS**  cis168.9109.8-40.2-970000107.4
985K34Very low33.2Very low201 Ų201127.5 Ų127.587%0.87474%0.739SS**  trans62.8154.6157.2-72.1179.1172.91760121.5
986S34.7Very low32.9Very low108 Ų108127.8 Ų127.876%0.75573%0.732SS**  trans76.2147.3148.6620000120.4
987Q34.4Very low32.5Very low175 Ų175129.6 Ų129.682%0.81873%0.733SS**  cis-174.2172.1-22.3-170.9179.1-35.800109.3
988I35.6Very low32.4Very low120 Ų120131.1 Ų131.162%0.61573%0.733SS**  trans100.3103.1152.3-58.2-172.9000118.9
989Q34Very low32.2Very low177 Ų177132.8 Ų132.883%0.82773%0.734SS**  trans63.8158.8141.3-60.8170.211.100119.1
990S34.4Very low32.2Very low100 Ų100135.8 Ų135.870%0.69974%0.742SS**  cis-141.9149.113.754.90000115.1
991L33.8Very low32.5Very low144 Ų144135 Ų13575%0.75474%0.738SS**  trans32.3148.1139-78.375.9000122.1
992T29.3Very low32.9Very low104 Ų104141.8 Ų141.864%0.63875%0.748SS**  cis174155.8-29.924.90000108.4
993K33.5Very low33.2Very low177 Ų177140.7 Ų140.777%0.7774%0.738SS**  trans67.2158.7157.2-71.1173.9174.2-178.40116.7
994Q30.5Very low33.2Very low137 Ų137142.2 Ų142.264%0.6474%0.736SS**  cis-161.5163.8-22.6-118.8178.7-71.300111
995N29.6Very low33.5Very low112 Ų112148.8 Ų148.860%0.59975%0.747SS**  trans64.5129.2143.6-73.815.3000123.2
996N32.2Very low33.5Very low122 Ų122145.3 Ų145.365%0.65274%0.738SS**  73.1112127.4-59.6-0.6000122.4
997N29.8Very low33.3Very low139 Ų139149 Ų14974%0.74374%0.743SS**  60.4150.9118-59.8-4.4000122.8
998N33.4Very low33.2Very low140 Ų140148.1 Ų148.175%0.74974%0.744SS**  trans79.1104.2157.9-60.8-16.9000118.8
999N30.5Very low33.2Very low140 Ų140147.9 Ų147.975%0.74975%0.753SS**  29.5105.5115.4-55.5-9.8000117.4
1000N35Very low33.4Very low156 Ų156146.2 Ų146.283%0.83475%0.748SS**  169.3111.6123.8-84.5-26.3000108.6
1001S32Very low33.2Very low102 Ų102148.3 Ų148.371%0.71375%0.751SS**  76.6110.587.3-173.10000113.9
1002R36.6Very low33.6Very low245 Ų245149.3 Ų149.393%0.92576%0.757SS**  trans-158.9122.9130.8-103.1149.4-166.8-88.3-1.7109.8
1003H35.2Very low33.9Very low144 Ų144149.8 Ų149.867%0.66776%0.762SS**  trans-76.6157.4173.9-140.2-119.7000109.7D1006H1003-D1006 IonicContact CE1-OD1 2.67Å; H1003-D1006 IonicContact CG-OD1 2.75Å; H1003-D1006 IonicContact ND1-OD1 3.43Å; H1003-D1006 PolarHBondContact ND1-OD1 2.96Å
1004L36Very low33.8Very low150 Ų150149.4 Ų149.479%0.78577%0.767SS**  trans-151.8132.5155-108.8167.7000108.3
1005W39Very low33.9Very low232 Ų232146.9 Ų146.988%0.87977%0.765SS**  trans84103.4178.2-50.4-1.8000113.2
1006D34Very low34.2Very low128 Ų128146.6 Ų146.668%0.68477%0.769SS**  trans-105.3159.7-171.6-56.5-57.8000112.1H1003 N1008H1003-D1006 IonicContact CE1-OD1 2.67Å; H1003-D1006 IonicContact CG-OD1 2.75Å; H1003-D1006 IonicContact ND1-OD1 3.43Å; H1003-D1006 PolarHBondContact ND1-OD1 2.96Å; D1006-N1008 PolarHBondContact O-N 3.06Å
1007E31Very low34.4Very low186 Ų186146.2 Ų146.287%0.86977%0.771SS**SBendtrans-76.4109.9163.3-65.7-177.4161.700109.4
1008N31Very low34.9Very low155 Ų155146.6 Ų146.683%0.82977%0.771SS**  trans172.187.4145.6-89.4-30.4000111.8D1006D1006-N1008 PolarHBondContact O-N 3.06Å
1009S36.5Very low35.1Very low115 Ų115148 Ų14880%0.80477%0.773SS**  trans-157.591.7161.2-76.60000107.6
1010I37.4Very low35.4Very low143 Ų143149.5 Ų149.573%0.73378%0.776SS**  85.995.884.1-71.9161.4000111.3
1011D31.4Very low35.3Very low143 Ų143149.6 Ų149.677%0.76578%0.775SS**  trans56.7161.7139.8-55.1-33.9000123.3
1012L41.6Very low35.5Very low165 Ų165150.2 Ų150.286%0.86478%0.777SS**  trans90.5139.1170.4-54.9164.1000116.7
1013P36.6Very low35.1Very low115 Ų115149.5 Ų149.575%0.74777%0.774SS**  -131.3157.8-62.228.3-10.6000113.3
1014L31.2Very low34.9Very low169 Ų169149 Ų14989%0.88578%0.776SS**  trans-64.8138.8170.2-70.8168.6000111.4
1015S32.7Very low34.6Very low83 Ų83148.4 Ų148.458%0.5877%0.773SS**  trans-69.5126.9175.9-176.50000111V1017S1015-V1017 PolarHBondContact O-N 3.11Å
1016P34.6Very low34.1Very low107 Ų107144.8 Ų144.870%0.69577%0.765SS**G310 helixtrans-65.4-5.7-171.8-25.335.3000116.9I1018P1016-I1018 VanDerWaalsContact C-N 3.28Å; P1016-I1018 PolarHBondContact O-N 3.48Å
1017V36.6Very low33.9Very low113 Ų113144.1 Ų144.169%0.68577%0.766SS**G310 helixtrans-80.5-4.2-165.6-166.20000113.4S1015 H1019S1015-V1017 PolarHBondContact O-N 3.11Å; V1017-H1019 VanDerWaalsContact C-N 3.29Å; V1017-H1019 PolarHBondContact O-N 3.04Å
1018I41.5Very low33.7Very low148 Ų148141.3 Ų141.376%0.75977%0.767SS**G310 helixtrans-77.4-11.9176.4-68.5176.1000112.7P1016P1016-I1018 VanDerWaalsContact C-N 3.28Å; P1016-I1018 PolarHBondContact O-N 3.48Å
1019H37.7Very low33.7Very low168 Ų168138.5 Ų138.578%0.77876%0.759SS**G310 helixtrans-105.713.9-173-72.3-76.7000116.3V1017V1017-H1019 VanDerWaalsContact C-N 3.29Å; V1017-H1019 PolarHBondContact O-N 3.04Å
1020Q35.6Very low33.2Very low173 Ų173138.6 Ų138.681%0.80876%0.76SS**  trans-127.719-175.4-70.8-166.8-3.400116.4
1021L34.2Very low33Very low157 Ų157138.3 Ų138.382%0.82276%0.759SS**  trans-104.7110167.6-75.8173.2000110.5W1023L1021-W1023 PolarHBondContact O-N 2.88Å
1022P34.9Very low32.9Very low115 Ų115140.1 Ų140.175%0.74776%0.763SS**  trans-64.9133.2174.8-20.532.9000111.5N1024P1022-N1024 VanDerWaalsContact C-N 3.29Å; P1022-N1024 PolarHBondContact O-N 3.35Å
1023W28.7Very low32.5Very low231 Ų231139.6 Ų139.688%0.87576%0.76SS**  trans-68.885.6166.7-88.569.8000109.9L1021 I1025L1021-W1023 PolarHBondContact O-N 2.88Å; W1023-I1025 HydrophobicContact CE3-CD1 3.68Å; W1023-I1025 HydrophobicContact CE3-CG1 4.23Å; W1023-I1025 HydrophobicContact CZ3-CD1 3.75Å; W1023-I1025 PolarHBondContact O-N 3.06Å
1024N31.1Very low32.2Very low132 Ų132143 Ų14371%0.70676%0.763SS**  trans-83.755.7-178.8-154.21.3000112.2P1022 Q1026P1022-N1024 VanDerWaalsContact C-N 3.29Å; P1022-N1024 PolarHBondContact O-N 3.35Å; N1024-Q1026 PolarHBondContact O-N 3.38Å
1025I28.9Very low32Very low139 Ų139140.6 Ų140.671%0.71376%0.756SS**  trans-88.784.2162.7-57.7-177000106.5W1023W1023-I1025 HydrophobicContact CE3-CD1 3.68Å; W1023-I1025 HydrophobicContact CE3-CG1 4.23Å; W1023-I1025 HydrophobicContact CZ3-CD1 3.75Å; W1023-I1025 PolarHBondContact O-N 3.06Å
1026Q29.8Very low31.9Very low155 Ų155144.6 Ų144.672%0.72477%0.77SS**  trans-133.591.3-179.9-146.4169.410.200112.7N1024N1024-Q1026 PolarHBondContact O-N 3.38Å
1027T28.2Very low31.5Very low114 Ų114146.8 Ų146.870%0.69978%0.776SS**  trans35.8115.614358.50000119.4
1028S28.2Very low31.4Very low128 Ų128149.3 Ų149.390%0.89579%0.786SS**SBendtrans-133.2128.2138.6-690000107.2
1029S30.8Very low30.8Very low95 Ų95149.4 Ų149.466%0.66478%0.783SS**  cis-154.4125.3-1.351.40000110.7
1030S26.3Very low30.7Very low117 Ų117149.1 Ų149.182%0.81879%0.785SS**  trans-77.5123.4165.9-59.20000109.4
1031I33.3Very low30.3Very low137 Ų137148 Ų14870%0.70378%0.78SS**  trans-111.3105.9169.1-63.7178.8000107.5L1033I1031-L1033 HydrophobicContact CG2-CG 4.31Å; I1031-L1033 PolarHBondContact O-N 3.49Å
1032E27.7Very low30Very low181 Ų181145.5 Ų145.585%0.84678%0.776SS**  trans-74.6120.3170.1-65.2-176.1120.300110.2
1033L33.9Very low29.8Very low154 Ų154146.6 Ų146.681%0.80678%0.775SS**  trans-127.481163.5-81.2176.3000111I1031I1031-L1033 HydrophobicContact CG2-CG 4.31Å; I1031-L1033 PolarHBondContact O-N 3.49Å
1034K31.2Very low29.6Very low186 Ų186145.8 Ų145.881%0.80977%0.774SS**  trans22.8102.7146.5-64.4179.5179.8178.10117
1035T26.4Very low29.6Very low120 Ų120148.3 Ų148.374%0.73677%0.774SS**  19.8116.2128.756.10000117.7
1036N30.8Very low29.4Very low166 Ų166147.3 Ų147.389%0.88878%0.775SS**  trans-140.9105.8137.8-108.4-18.7000108.5
1037N26.5Very low29.4Very low154 Ų154148.4 Ų148.482%0.82478%0.778SS**  trans-70.2130.5171-77-16.3000108.9
1038N34.2Very low29.5Very low165 Ų165148.3 Ų148.388%0.88278%0.777SS**  trans-143.4143.5153-99.8-39.1000109.3
1039H29.3Very low29.6Very low150 Ų150149 Ų14969%0.69477%0.771SS**  trans-124.191.8-148.9-176.5-54.5000111.9
1040I34.3Very low29.8Very low162 Ų162152.2 Ų152.283%0.83178%0.775SS**  trans-137.892.9177-53.3177.3000105.4
1041Q28.3Very low30.1Very low150 Ų150153.6 Ų153.670%0.70177%0.773SS**  58.813564.5-101.8-169.2700115.2
1042S28Very low30.1Very low104 Ų104152.4 Ų152.473%0.72778%0.777SS**  trans67.3139.2-178.276.60000116
1043N29.8Very low30.3Very low138 Ų138149.9 Ų149.974%0.73877%0.774SS**  cis-145.7145.8-11.4-100.4-19.3000110.6
1044Y25.2Very low30.2Very low215 Ų215153.7 Ų153.784%0.84378%0.779SS**  trans-78139.1158.1-86.4-104.1000109.1
1045Y29.6Very low30.2Very low184 Ų184151.7 Ų151.772%0.72278%0.778SS**  trans-140.891.9158-101.5-69.4000111F1047Y1045-F1047 AromaticContact CD1-CD2 3.7Å; Y1045-F1047 HydrophobicContact CD1-CD2 3.7Å; Y1045-F1047 AromaticContact CD1-CE2 3.5Å; Y1045-F1047 HydrophobicContact CD1-CE2 3.5Å; Y1045-F1047 VanDerWaalsContact CD1-CE2 3.5Å; Y1045-F1047 HydrophobicContact CE1-CD2 4.29Å; Y1045-F1047 AromaticContact CE1-CE2 3.62Å; Y1045-F1047 HydrophobicContact CE1-CE2 3.62Å; Y1045-F1047 HydrophobicContact CE1-CZ 4.4Å
1046T25.8Very low30.5Very low119 Ų119151 Ų15173%0.7378%0.777SS**  trans-84.3116162.8-22.40000107.6
1047F29.9Very low30.7Very low177 Ų177152.3 Ų152.378%0.77678%0.775SS**  trans-111.7113.6174.2-108.9-72.5000111Y1045Y1045-F1047 AromaticContact CD1-CD2 3.7Å; Y1045-F1047 HydrophobicContact CD1-CD2 3.7Å; Y1045-F1047 AromaticContact CD1-CE2 3.5Å; Y1045-F1047 HydrophobicContact CD1-CE2 3.5Å; Y1045-F1047 VanDerWaalsContact CD1-CE2 3.5Å; Y1045-F1047 HydrophobicContact CE1-CD2 4.29Å; Y1045-F1047 AromaticContact CE1-CE2 3.62Å; Y1045-F1047 HydrophobicContact CE1-CE2 3.62Å; Y1045-F1047 HydrophobicContact CE1-CZ 4.4Å
1048T29Very low30.9Very low112 Ų112155.4 Ų155.469%0.68778%0.775SS**  trans-125.7102.5174.350.80000109.8
1049N32.2Very low30.9Very low144 Ų144155.7 Ų155.777%0.7778%0.775SS**  trans-169119.6156.5-92.2-34.4000106.7
1050H33.9Very low31.1Very low161 Ų161153.1 Ų153.175%0.74577%0.765SS**  77.3117.271-82.1-69.5000114.9
1051N33.2Very low31.1Very low146 Ų146151.2 Ų151.278%0.78176%0.764SS**  trans71.784.1151.4-55.3-1.1000120.2
1052S33.1Very low31.3Very low112 Ų112150.5 Ų150.578%0.78376%0.763SS**  -175.1121.1123.925.30000108.5
1053V31.1Very low31.4Very low129 Ų129151.9 Ų151.978%0.78276%0.761SS**  54.39281.9-175.70000112.6
1054Y32.9Very low31.5Very low234 Ų234154.6 Ų154.692%0.91877%0.769SS**  -153.9168.3127.9-105.2-69.3000110.1
1055N31.5Very low31.8Very low144 Ų144151.4 Ų151.477%0.7777%0.767SS**  trans-125.3177.6-157.8-136.8-27.7000112.4
1056S32Very low32Very low104 Ų104152.1 Ų152.173%0.72778%0.777SS**  trans78.4120179.8-520000114.3
1057K34.9Very low32.3Very low194 Ų194151.8 Ų151.884%0.84378%0.779SS**  cis72.6125.145.1-64.3-171.4173.6-178.90114.4
1058R30.4Very low32.3Very low219 Ų219148.2 Ų148.283%0.82678%0.775SS**  trans57.8103.7174.8-73.7-177.1169.8-171.5-1.6115.9I1060R1058-I1060 HydrophobicContact CG-CD1 4.39Å
1059I33.6Very low32.5Very low172 Ų172149.7 Ų149.788%0.88278%0.779SS**  trans-101.3122.3140.1-63.8176.9000105.9
1060I33.7Very low32.5Very low95 Ų95149.5 Ų149.549%0.48778%0.778SS.*  trans-118122.7169.7-62.6165.6000105.5R1058 I1062R1058-I1060 HydrophobicContact CG-CD1 4.39Å; I1060-I1062 HydrophobicContact CB-CG1 4.35Å; I1060-I1062 HydrophobicContact CG2-CG1 3.8Å; I1060-I1062 PolarHBondContact O-N 3.11Å; I1060-I1062 VanDerWaalsContact O-N 3.16Å
1061P35.4Very low32.6Very low123 Ų123148.6 Ų148.680%0.79978%0.779SS**  trans-73.2102.2164.629.9-29.7000107.9I1063P1061-I1063 PolarHBondContact O-N 2.98Å
1062I32.7Very low32.5Very low135 Ų135148.9 Ų148.969%0.69278%0.78SS**  trans-81.1116.9177.9-69.4-179.7000109.1I1060I1060-I1062 HydrophobicContact CB-CG1 4.35Å; I1060-I1062 HydrophobicContact CG2-CG1 3.8Å; I1060-I1062 PolarHBondContact O-N 3.11Å; I1060-I1062 VanDerWaalsContact O-N 3.16Å
1063I30.1Very low32.6Very low133 Ų133150.7 Ų150.768%0.68278%0.781SS**  trans30.2118136.8-51.1167.5000116.4P1061P1061-I1063 PolarHBondContact O-N 2.98Å
1064E31.9Very low32.8Very low195 Ų195152.2 Ų152.291%0.91178%0.783SS**  -144.8135.8119.2-137.1170.9-156.300112.3
1065N30.8Very low32.9Very low147 Ų147148.7 Ų148.779%0.78678%0.779SS**  trans-92129.4-177.9-77.5-37.6000110.5
1066Q33.5Very low32.9Very low200 Ų200150.6 Ų150.694%0.93578%0.783SS**  trans-130.6148.2144-68.8-161.610.900109.7
1067S32.9Very low33.2Very low112 Ų112153.7 Ų153.778%0.78379%0.791SS**  trans-109.9174.1-152.2-165.60000114
1068C30.3Very low33.2Very low101 Ų101155.1 Ų155.168%0.68279%0.791SS**  trans88116.6161.2-55.40000119.1
1069N33.3Very low33.5Very low144 Ų144156.2 Ų156.277%0.7780%0.795SS**  trans80.297.5141.2-58.7-12.8000120.6
1070N31.4Very low33.9Very low140 Ų140154.9 Ų154.975%0.74979%0.789SS**  37.2107.5125.8-57.4-1.2000118.5
1071N34.9Very low33.9Very low142 Ų142157.2 Ų157.276%0.75980%0.802SS**  -176.7136.4100.2-90.9-42.2000113.6
1072N32.1Very low34.1Very low151 Ų151161.4 Ų161.481%0.80781%0.808SS**  trans7.2107.3156.9-57.5-17.2000118.4
1073N34.2Very low34.1Very low151 Ų151167 Ų16781%0.80783%0.831SS**  trans-140105.9157.7-92.5-65.5000111L1075N1073-L1075 PolarHBondContact O-N 3.49Å
1074I35.6Very low34.3Very low161 Ų161168.7 Ų168.783%0.82684%0.839SS**  trans-80.8105.3176.3-63.3172000108.6H1076I1074-H1076 PolarHBondContact O-N 2.97Å
1075L35.3Very low34.4Very low159 Ų159167.3 Ų167.383%0.83284%0.835SS**  trans-81.9103.5178.4-79.6169.7000111.8N1073 L1077N1073-L1075 PolarHBondContact O-N 3.49Å; L1075-L1077 PolarHBondContact O-N 2.67Å
1076H32.8Very low34.6Very low184 Ų184168.4 Ų168.485%0.85284%0.837SS**  trans-65.2100165-87.3-62.5000111.1I1074 R1078I1074-H1076 PolarHBondContact O-N 2.97Å; H1076-R1078 PolarHBondContact O-N 3.43Å
1077L36.8Very low34.7Very low170 Ų170166.5 Ų166.589%0.8983%0.832SS**PPolyproline II helixtrans-75.8123.7170.7-144.276.5000110.6L1075L1075-L1077 PolarHBondContact O-N 2.67Å
1078R36.5Very low34.8Very low224 Ų224169.9 Ų169.985%0.84584%0.835SS**PPolyproline II helixtrans-75.6143.8178.3-71.1-178.5173.6-176.1-1.1111.4H1076 N1080H1076-R1078 PolarHBondContact O-N 3.43Å; R1078-N1080 PolarHBondContact O-N 3.17Å
1079R35.3Very low35.1Very low241 Ų241174.5 Ų174.591%0.90985%0.845SS**PPolyproline II helixtrans-60.6128155.6-85.3-179.3158.9118.9-6.1109.2
1080N42.3Very low35.2Very low144 Ų144176.7 Ų176.777%0.7785%0.85SS**  trans-104.7134.5157.6-80.2-22.8000108.7R1078R1078-N1080 PolarHBondContact O-N 3.17Å
1081L34.4Very low35.5Very low144 Ų144179.5 Ų179.575%0.75486%0.858SS**  trans-77.6146.8164.2-94.668000109.2
1082F38.3Very low35.5Very low211 Ų211182.7 Ų182.793%0.92587%0.866SS**  trans-150.863.5157.8-103.8-68000111.6
1083Q33Very low35.9Very low252 Ų252185.5 Ų185.5100%1.17887%0.872SS**  -155.50124.5-161.5157.723.500109.8

Retrieved 1,083 of 1,083 residues in 460.1 ms (Link to these results)