A0A077Z0Z7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z0Z7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.9Very low49.4Very low239 Ų239139.5 Ų139.5100%1.17772%0.718SS**  0110.20-65.6166.5171.700109.5
2K48.7Very low49.3Very low210 Ų210133.2 Ų133.291%0.91369%0.694SS**  trans-152.166.8-180-72.6-170.5178.4177.10112.3
3T50.6Low49.6Very low128 Ų128127.9 Ų127.979%0.78568%0.676SS**  trans-130.9-24-177.342.30000115.4R5T3-R5 VanDerWaalsContact C-N 3.33Å; T3-R5 PolarHBondContact O-N 3.32Å
4S51.9Low50.4Low97 Ų97124.8 Ų124.868%0.67867%0.665SS**THydrogen-bonded Turntrans-76.2-0.8-168.7-44.50000117.3
5R49.4Very low51.3Low240 Ų240122.1 Ų122.191%0.90665%0.654SS**THydrogen-bonded Turntrans-81.5-24-174.8-75.7-170.8174.4-168.4-3.2114.8T3T3-R5 VanDerWaalsContact C-N 3.33Å; T3-R5 PolarHBondContact O-N 3.32Å
6S49.7Very low52.2Low86 Ų86120.1 Ų120.160%0.60165%0.648SS**Hα-helixtrans-71.6-43.5-173.9-1780000113.5N8 A9S6-N8 PolarHBondContact O-N 2.93Å; S6-A9 PolarHBondContact O-N 3.11Å
7T49.9Very low53.2Low85 Ų85118.8 Ų118.852%0.52164%0.64SS.*Hα-helixtrans-69.6-27.9-169.248.20000114.3K11T7-K11 WeakPolarHBondContact O-CG 3.41Å; T7-K11 PolarHBondContact O-N 3.16Å
8N48.8Very low54.1Low94 Ų94119.2 Ų119.250%0.50364%0.635SS.*Hα-helixtrans-76-36.7179.1-74.9-9.5000112.5S6 F10 K11 C12S6-N8 PolarHBondContact O-N 2.93Å; N8-F10 VanDerWaalsContact C-N 3.29Å; N8-F10 PolarHBondContact O-N 3.45Å; N8-K11 PolarHBondContact O-N 3.01Å; N8-C12 PolarHBondContact O-N 3.26Å; N8-C12 PolarHBondContact O-SG 3.26Å; N8-C12 VanDerWaalsContact O-SG 3.38Å
9A49.3Very low54.9Low68 Ų68117.9 Ų117.956%0.56263%0.627SS**Hα-helixtrans-59.9-40.4175.400000112S6 K11 C12 S13S6-A9 PolarHBondContact O-N 3.11Å; A9-K11 PolarHBondContact O-N 3.43Å; A9-C12 PolarHBondContact O-N 2.81Å; A9-S13 PolarHBondContact O-N 3.39Å
10F46Very low55.5Low155 Ų155118.4 Ų118.468%0.6863%0.626SS**Hα-helixtrans-65.3-36.6176.7-124.8-83.6000113.1N8 T14N8-F10 VanDerWaalsContact C-N 3.29Å; N8-F10 PolarHBondContact O-N 3.45Å; F10-T14 PolarHBondContact O-N 3Å; F10-T14 PolarHBondContact O-OG1 3.36Å
11K52.1Low56.3Low132 Ų132116 Ų11657%0.57462%0.616SS**Hα-helixtrans-66.2-49174.9-71.6173.7-179.5178.30111.3T7 N8 A9 S13 T14 V15T7-K11 WeakPolarHBondContact O-CG 3.41Å; T7-K11 PolarHBondContact O-N 3.16Å; N8-K11 PolarHBondContact O-N 3.01Å; A9-K11 PolarHBondContact O-N 3.43Å; K11-S13 PolarHBondContact O-N 3.28Å; K11-T14 PolarHBondContact O-N 2.79Å; K11-V15 WeakPolarHBondContact O-CG2 3.42Å; K11-V15 PolarHBondContact O-N 2.75Å
12C47.8Very low57.3Low64 Ų64109.8 Ų109.843%0.43258%0.583SS.*Hα-helixtrans-59.8-46.1179.3-62.70000111.9N8 A9 T14 V15 V16N8-C12 PolarHBondContact O-N 3.26Å; N8-C12 PolarHBondContact O-SG 3.26Å; N8-C12 VanDerWaalsContact O-SG 3.38Å; A9-C12 PolarHBondContact O-N 2.81Å; C12-T14 PolarHBondContact O-N 3.47Å; C12-V15 PolarHBondContact O-N 2.81Å; C12-V16 WeakPolarHBondContact O-CG2 3.2Å; C12-V16 PolarHBondContact O-N 2.75Å
13S53.2Low58.1Low65 Ų65109.2 Ų109.246%0.45558%0.575SS.*Hα-helixtrans-57.2-47.4176.9-173.50000112.3A9 K11 V15 V16 L17A9-S13 PolarHBondContact O-N 3.39Å; K11-S13 PolarHBondContact O-N 3.28Å; S13-V15 VanDerWaalsContact C-N 3.34Å; S13-V15 PolarHBondContact O-N 3.47Å; S13-V16 PolarHBondContact O-N 3.47Å; S13-L17 WeakPolarHBondContact O-CG 3.41Å; S13-L17 PolarHBondContact O-N 3.02Å
14T61.9Low58.9Low84 Ų84106.5 Ų106.552%0.51556%0.561SS.*Hα-helixtrans-59.9-41.3177.6-53.70000112.5F10 K11 C12 F18F10-T14 PolarHBondContact O-N 3Å; F10-T14 PolarHBondContact O-OG1 3.36Å; K11-T14 PolarHBondContact O-N 2.79Å; C12-T14 PolarHBondContact O-N 3.47Å; T14-F18 WeakPolarHBondContact O-CB 3.38Å; T14-F18 PolarHBondContact O-N 3.3Å
15V63.5Low59.5Low84 Ų84107.8 Ų107.851%0.50956%0.555SS.*Hα-helixtrans-68.9-41.2179.61720000111.8K11 C12 S13 F18 L19K11-V15 WeakPolarHBondContact O-CG2 3.42Å; K11-V15 PolarHBondContact O-N 2.75Å; C12-V15 PolarHBondContact O-N 2.81Å; S13-V15 VanDerWaalsContact C-N 3.34Å; S13-V15 PolarHBondContact O-N 3.47Å; V15-F18 PolarHBondContact O-N 3.26Å; V15-L19 HydrophobicContact CG1-CD1 3.92Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 2.61Å
16V66.1Low60.2Low91 Ų91101.4 Ų101.455%0.55254%0.536SS*.Hα-helixtrans-61.8-49.2176.3172.20000110.8C12 S13 F18 L19 E20C12-V16 WeakPolarHBondContact O-CG2 3.2Å; C12-V16 PolarHBondContact O-N 2.75Å; S13-V16 PolarHBondContact O-N 3.47Å; V16-F18 VanDerWaalsContact C-N 3.29Å; V16-F18 PolarHBondContact O-N 3.08Å; V16-L19 PolarHBondContact O-N 2.83Å; V16-E20 WeakPolarHBondContact O-CB 3.18Å; V16-E20 PolarHBondContact O-N 3.17Å
17L67.9Low60.8Low98 Ų98100.8 Ų100.851%0.51353%0.532SS..Hα-helixtrans-61.5-36.2177.9-69.4170.5000112.5S13 T21S13-L17 WeakPolarHBondContact O-CG 3.41Å; S13-L17 PolarHBondContact O-N 3.02Å; L17-T21 VanDerWaalsContact O-CB 3.26Å; L17-T21 WeakPolarHBondContact O-CB 3.31Å; L17-T21 PolarHBondContact O-N 3.42Å; L17-T21 PolarHBondContact O-OG1 3.09Å
18F69.2Low61.4Low126 Ų126102.5 Ų102.555%0.55353%0.534SS*.Hα-helixtrans-65.8-47.6174.2-179.5-94000111.8T14 V15 V16 E20 T21 F22T14-F18 WeakPolarHBondContact O-CB 3.38Å; T14-F18 PolarHBondContact O-N 3.3Å; V15-F18 PolarHBondContact O-N 3.26Å; V16-F18 VanDerWaalsContact C-N 3.29Å; V16-F18 PolarHBondContact O-N 3.08Å; F18-E20 PolarHBondContact O-N 2.78Å; F18-T21 PolarHBondContact O-N 3.31Å; F18-F22 VanDerWaalsContact O-CB 3.28Å; F18-F22 WeakPolarHBondContact O-CB 3.29Å; F18-F22 PolarHBondContact O-N 3.44Å
19L69.6Low62Low94 Ų94101 Ų10149%0.49253%0.531SS..Hα-helixtrans-63.6-40.6179.3-73.9169.4000112.3V15 V16 F22 R23V15-L19 HydrophobicContact CG1-CD1 3.92Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 2.61Å; V16-L19 PolarHBondContact O-N 2.83Å; L19-F22 PolarHBondContact O-N 3.04Å; L19-R23 WeakPolarHBondContact O-CB 3.4Å; L19-R23 WeakPolarHBondContact O-CG 3.4Å; L19-R23 PolarHBondContact O-N 2.65Å
20E68.5Low62.8Low127 Ų127106.9 Ų106.959%0.59354%0.538SS*.Hα-helixtrans-65.7-46.1175.7-174169.4-149.700111.5V16 F18 F22 R23 S24V16-E20 WeakPolarHBondContact O-CB 3.18Å; V16-E20 PolarHBondContact O-N 3.17Å; F18-E20 PolarHBondContact O-N 2.78Å; E20-F22 VanDerWaalsContact C-N 3.29Å; E20-F22 PolarHBondContact O-N 2.66Å; E20-R23 PolarHBondContact O-N 2.98Å; E20-S24 WeakPolarHBondContact O-CB 3.3Å; E20-S24 PolarHBondContact O-N 2.86Å
21T71Confident63.7Low70 Ų70107.8 Ų107.843%0.42954%0.537SS..Hα-helixtrans-59.6-39.8173.8-60.20000111.8L17 F18 K25L17-T21 VanDerWaalsContact O-CB 3.26Å; L17-T21 WeakPolarHBondContact O-CB 3.31Å; L17-T21 PolarHBondContact O-N 3.42Å; L17-T21 PolarHBondContact O-OG1 3.09Å; F18-T21 PolarHBondContact O-N 3.31Å; T21-K25 HydrophobicContact CG2-CD 4.16Å; T21-K25 WeakPolarHBondContact O-CB 3.48Å; T21-K25 WeakPolarHBondContact O-CG 3.42Å; T21-K25 PolarHBondContact O-N 3.26Å
22F67.6Low64.4Low107 Ų107104.9 Ų104.947%0.46953%0.526SS..Hα-helixtrans-68.3-46.3178.5-172.9-96.3000111.7F18 L19 E20 S24 K25 M26F18-F22 VanDerWaalsContact O-CB 3.28Å; F18-F22 WeakPolarHBondContact O-CB 3.29Å; F18-F22 PolarHBondContact O-N 3.44Å; L19-F22 PolarHBondContact O-N 3.04Å; E20-F22 VanDerWaalsContact C-N 3.29Å; E20-F22 PolarHBondContact O-N 2.66Å; F22-S24 VanDerWaalsContact C-N 3.34Å; F22-S24 PolarHBondContact O-N 3.18Å; F22-K25 PolarHBondContact O-N 2.96Å; F22-M26 HydrophobicContact CD1-CG 4.04Å; F22-M26 HydrophobicContact CE1-CG 3.68Å; F22-M26 HydrophobicContact CE2-CG 4.39Å; F22-M26 HydrophobicContact CZ-CG 3.87Å; F22-M26 HydrophobicContact CZ-SD 4.29Å; F22-M26 WeakPolarHBondContact O-CB 3.09Å; F22-M26 WeakPolarHBondContact O-CG 3.34Å; F22-M26 PolarHBondContact O-N 3.49Å
23R66.8Low65.2Low198 Ų198107.5 Ų107.575%0.74753%0.533SS*.Hα-helixtrans-59.6-43.8174-74.818070.4174.81.6111.6L19 E20 M26 S27L19-R23 WeakPolarHBondContact O-CB 3.4Å; L19-R23 WeakPolarHBondContact O-CG 3.4Å; L19-R23 PolarHBondContact O-N 2.65Å; E20-R23 PolarHBondContact O-N 2.98Å; R23-M26 PolarHBondContact O-N 2.83Å; R23-S27 WeakPolarHBondContact O-CB 3.38Å; R23-S27 PolarHBondContact O-N 3.27Å; R23-S27 PolarHBondContact O-OG 3.21Å
24S65.8Low65.8Low71 Ų71108.7 Ų108.750%0.49753%0.531SS..Hα-helixtrans-58.2-54.7175.4-176.90000111.4E20 F22 M26 S27 H28E20-S24 WeakPolarHBondContact O-CB 3.3Å; E20-S24 PolarHBondContact O-N 2.86Å; F22-S24 VanDerWaalsContact C-N 3.34Å; F22-S24 PolarHBondContact O-N 3.18Å; S24-M26 PolarHBondContact O-N 3.47Å; S24-S27 PolarHBondContact O-N 3.39Å; S24-S27 PolarHBondContact O-OG 3.46Å; S24-H28 PolarHBondContact O-N 3.05Å
25K65.7Low66.2Low125 Ų125110 Ų11054%0.54353%0.53SS..Hα-helixtrans-60.1-41.2177.6-73.4178-179.7179.40113.2T21 F22 H28 S29T21-K25 HydrophobicContact CG2-CD 4.16Å; T21-K25 WeakPolarHBondContact O-CB 3.48Å; T21-K25 WeakPolarHBondContact O-CG 3.42Å; T21-K25 PolarHBondContact O-N 3.26Å; F22-K25 PolarHBondContact O-N 2.96Å; K25-H28 PolarHBondContact O-N 3.38Å; K25-S29 VanDerWaalsContact O-CB 3.32Å; K25-S29 WeakPolarHBondContact O-CB 3.16Å; K25-S29 PolarHBondContact O-N 3.1Å
26M64.9Low66.1Low106 Ų106114.1 Ų114.152%0.52254%0.536SS..Hα-helixtrans-65.8-40.1176.8-78.1-65.4-74.800112.4F22 R23 S24 H28 S29 R30F22-M26 HydrophobicContact CD1-CG 4.04Å; F22-M26 HydrophobicContact CE1-CG 3.68Å; F22-M26 HydrophobicContact CE2-CG 4.39Å; F22-M26 HydrophobicContact CZ-CG 3.87Å; F22-M26 HydrophobicContact CZ-SD 4.29Å; F22-M26 WeakPolarHBondContact O-CB 3.09Å; F22-M26 WeakPolarHBondContact O-CG 3.34Å; F22-M26 PolarHBondContact O-N 3.49Å; R23-M26 PolarHBondContact O-N 2.83Å; S24-M26 PolarHBondContact O-N 3.47Å; M26-H28 VanDerWaalsContact C-N 3.35Å; M26-S29 PolarHBondContact O-N 2.99Å; M26-R30 WeakPolarHBondContact O-CB 3.29Å; M26-R30 PolarHBondContact O-N 3.36Å
27S61.9Low65.8Low72 Ų72112.9 Ų112.950%0.50353%0.529SS..Hα-helixtrans-64.9-38.3175.173.90000112.5R23 S24 R31R23-S27 WeakPolarHBondContact O-CB 3.38Å; R23-S27 PolarHBondContact O-N 3.27Å; R23-S27 PolarHBondContact O-OG 3.21Å; S24-S27 PolarHBondContact O-N 3.39Å; S24-S27 PolarHBondContact O-OG 3.46Å; S27-R31 WeakPolarHBondContact O-CB 3.23Å; S27-R31 PolarHBondContact O-N 3.45Å
28H61.5Low65.3Low122 Ų122116 Ų11657%0.56553%0.534SS*.Hα-helixtrans-68.3-43.8176-138.192.5000111.3S24 K25 M26 R31 E32S24-H28 PolarHBondContact O-N 3.05Å; K25-H28 PolarHBondContact O-N 3.38Å; M26-H28 VanDerWaalsContact C-N 3.35Å; H28-R31 PolarHBondContact O-N 3.03Å; H28-E32 PolarHBondContact O-N 3.36Å
29S61.6Low64.8Low63 Ų63113.7 Ų113.744%0.44153%0.53SS..Hα-helixtrans-60.5-45.8175.1-173.70000112.1K25 M26 R31 E32 M33K25-S29 VanDerWaalsContact O-CB 3.32Å; K25-S29 WeakPolarHBondContact O-CB 3.16Å; K25-S29 PolarHBondContact O-N 3.1Å; M26-S29 PolarHBondContact O-N 2.99Å; S29-R31 PolarHBondContact O-N 3.25Å; S29-E32 PolarHBondContact O-N 3.09Å; S29-M33 WeakPolarHBondContact O-CB 3.45Å; S29-M33 PolarHBondContact O-N 3.3Å
30R65.3Low64.1Low191 Ų191115.4 Ų115.472%0.72154%0.536SS*.Hα-helixtrans-60.5-42.7174.9-178.2175.8173.8173.6-0.8111.9M26 M33 E34M26-R30 WeakPolarHBondContact O-CB 3.29Å; M26-R30 PolarHBondContact O-N 3.36Å; R30-M33 PolarHBondContact O-N 3.09Å; R30-E34 WeakPolarHBondContact O-CB 3.47Å; R30-E34 PolarHBondContact O-N 2.93Å
31R66.4Low63.4Low173 Ų173115.7 Ų115.765%0.65354%0.537SS*.Hα-helixtrans-66.5-36.9177.5-176.8176.6-81.3-179.1-5.3112.3S27 H28 S29 K35S27-R31 WeakPolarHBondContact O-CB 3.23Å; S27-R31 PolarHBondContact O-N 3.45Å; H28-R31 PolarHBondContact O-N 3.03Å; S29-R31 PolarHBondContact O-N 3.25Å; R31-K35 WeakPolarHBondContact O-CG 3.46Å; R31-K35 PolarHBondContact O-N 3.26Å; R31-K35 VanDerWaalsContact O-N 3.16Å
32E66.9Low62.6Low71 Ų71115 Ų11533%0.33254%0.539SS..Hα-helixtrans-69.2-39.9172.7-79.2-61.811700112.7H28 S29 K35 R36H28-E32 PolarHBondContact O-N 3.36Å; S29-E32 PolarHBondContact O-N 3.09Å; E32-K35 PolarHBondContact O-N 3.39Å; E32-K35 WeakPolarHBondContact OE1-CD 3.06Å; E32-K35 WeakPolarHBondContact OE1-CE 3.39Å; E32-K35 IonicContact OE1-NZ 2.66Å; E32-K35 PolarHBondContact OE1-NZ 3.44Å; E32-R36 WeakPolarHBondContact O-CG 3.25Å; E32-R36 PolarHBondContact O-N 2.92Å; E32-R36 VanDerWaalsContact O-N 3.13Å
33M63.4Low61.9Low119 Ų119115.8 Ų115.859%0.58655%0.545SS*.Hα-helixtrans-61.8-47.2174-172.7-172.7-65.400111S29 R30 K35 R36 T37S29-M33 WeakPolarHBondContact O-CB 3.45Å; S29-M33 PolarHBondContact O-N 3.3Å; R30-M33 PolarHBondContact O-N 3.09Å; M33-K35 VanDerWaalsContact C-N 3.34Å; M33-K35 PolarHBondContact O-N 3.09Å; M33-R36 WeakPolarHBondContact O-CB 3.31Å; M33-R36 PolarHBondContact O-N 3.4Å; M33-T37 PolarHBondContact O-N 3.42Å; M33-T37 PolarHBondContact O-OG1 3.04Å
34E65.5Low60.8Low90 Ų90108.2 Ų108.242%0.42153%0.529SS..Hα-helixtrans-61.6-39.1179-167.6-174.1157.200112.4R30 R36 T37 R38R30-E34 WeakPolarHBondContact O-CB 3.47Å; R30-E34 PolarHBondContact O-N 2.93Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 3.47Å; E34-T37 PolarHBondContact O-N 3.5Å; E34-R38 WeakPolarHBondContact O-CB 3.44Å; E34-R38 WeakPolarHBondContact O-CG 3.45Å; E34-R38 PolarHBondContact O-N 3.26Å; E34-R38 IonicContact OE1-CZ 3.17Å; E34-R38 IonicContact OE1-NE 2.78Å; E34-R38 PolarHBondContact OE1-NE 3.01Å; E34-R38 IonicContact OE1-NH2 2.9Å; E34-R38 PolarHBondContact OE1-NH2 2.98Å
35K71.8Confident59.8Low112 Ų112108.4 Ų108.449%0.48753%0.534SS..Hα-helixtrans-58.1-45.2170.9-74.2174.2-173.2175.70111.7R31 E32 M33 T39R31-K35 WeakPolarHBondContact O-CG 3.46Å; R31-K35 PolarHBondContact O-N 3.26Å; R31-K35 VanDerWaalsContact O-N 3.16Å; E32-K35 PolarHBondContact O-N 3.39Å; E32-K35 WeakPolarHBondContact OE1-CD 3.06Å; E32-K35 WeakPolarHBondContact OE1-CE 3.39Å; E32-K35 IonicContact OE1-NZ 2.66Å; E32-K35 PolarHBondContact OE1-NZ 3.44Å; M33-K35 VanDerWaalsContact C-N 3.34Å; M33-K35 PolarHBondContact O-N 3.09Å; K35-T39 WeakPolarHBondContact O-CB 3.29Å; K35-T39 PolarHBondContact O-N 3.4Å; K35-T39 PolarHBondContact O-OG1 3.12Å
36R61.7Low58.8Low170 Ų170112.2 Ų112.264%0.64255%0.546SS*.Hα-helixtrans-63.8-50.4179.5-70175.1-172.8-152.40.3110.9E32 M33 E34 R38 T39 E40E32-R36 WeakPolarHBondContact O-CG 3.25Å; E32-R36 PolarHBondContact O-N 2.92Å; E32-R36 VanDerWaalsContact O-N 3.13Å; M33-R36 WeakPolarHBondContact O-CB 3.31Å; M33-R36 PolarHBondContact O-N 3.4Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 3.47Å; R36-R38 VanDerWaalsContact C-N 3.33Å; R36-R38 PolarHBondContact O-N 3.47Å; R36-T39 CarbonylContact O-C 3.55Å; R36-T39 WeakPolarHBondContact O-CA 3.48Å; R36-T39 WeakPolarHBondContact O-CB 3.23Å; R36-T39 PolarHBondContact O-N 2.92Å; R36-E40 WeakPolarHBondContact O-CG 3.37Å; R36-E40 PolarHBondContact O-N 2.89Å
37T58.9Low57.6Low65 Ų65113.4 Ų113.440%0.39955%0.553SS.*Hα-helixtrans-60.6-39.8179.3-500000112.3M33 E34 T39 E40 Q41M33-T37 PolarHBondContact O-N 3.42Å; M33-T37 PolarHBondContact O-OG1 3.04Å; E34-T37 PolarHBondContact O-N 3.5Å; T37-T39 VanDerWaalsContact C-N 3.35Å; T37-E40 PolarHBondContact O-N 2.9Å; T37-Q41 WeakPolarHBondContact O-CB 3.38Å; T37-Q41 WeakPolarHBondContact O-CG 3.44Å; T37-Q41 PolarHBondContact O-N 3.01Å
38R57.1Low56.8Low164 Ų164116 Ų11662%0.61957%0.566SS**Hα-helixtrans-64.8-37.1172-71.8-174.2-169.6-147.16.2112.6E34 R36 A42E34-R38 WeakPolarHBondContact O-CB 3.44Å; E34-R38 WeakPolarHBondContact O-CG 3.45Å; E34-R38 PolarHBondContact O-N 3.26Å; E34-R38 IonicContact OE1-CZ 3.17Å; E34-R38 IonicContact OE1-NE 2.78Å; E34-R38 PolarHBondContact OE1-NE 3.01Å; E34-R38 IonicContact OE1-NH2 2.9Å; E34-R38 PolarHBondContact OE1-NH2 2.98Å; R36-R38 VanDerWaalsContact C-N 3.33Å; R36-R38 PolarHBondContact O-N 3.47Å; R38-A42 VanDerWaalsContact O-CB 3.3Å; R38-A42 WeakPolarHBondContact O-CB 3.29Å; R38-A42 PolarHBondContact O-N 3.15Å
39T58.8Low55.9Low77 Ų77116.3 Ų116.347%0.47258%0.576SS.*Hα-helixtrans-70.3-39.8178.1-54.10000111.6K35 R36 T37 A42 M43K35-T39 WeakPolarHBondContact O-CB 3.29Å; K35-T39 PolarHBondContact O-N 3.4Å; K35-T39 PolarHBondContact O-OG1 3.12Å; R36-T39 CarbonylContact O-C 3.55Å; R36-T39 WeakPolarHBondContact O-CA 3.48Å; R36-T39 WeakPolarHBondContact O-CB 3.23Å; R36-T39 PolarHBondContact O-N 2.92Å; T37-T39 VanDerWaalsContact C-N 3.35Å; T39-A42 PolarHBondContact O-N 3.04Å; T39-M43 HydrophobicContact CG2-CE 4.25Å; T39-M43 PolarHBondContact O-N 3.18Å
40E55.7Low55.1Low130 Ų130117.2 Ų117.261%0.60758%0.583SS**Hα-helixtrans-67.1-41.8174.4-71.9173.6142.600111.6R36 T37 A42 M43 G44R36-E40 WeakPolarHBondContact O-CG 3.37Å; R36-E40 PolarHBondContact O-N 2.89Å; T37-E40 PolarHBondContact O-N 2.9Å; E40-A42 PolarHBondContact O-N 3.37Å; E40-M43 PolarHBondContact O-N 2.88Å; E40-G44 PolarHBondContact O-N 3.39Å
41Q53.3Low53.9Low134 Ų134119 Ų11963%0.62659%0.59SS**Hα-helixtrans-62.6-40.2171.7-77-176.8-19.900112.1T37 M43 G44 A45T37-Q41 WeakPolarHBondContact O-CB 3.38Å; T37-Q41 WeakPolarHBondContact O-CG 3.44Å; T37-Q41 PolarHBondContact O-N 3.01Å; Q41-M43 VanDerWaalsContact C-N 3.33Å; Q41-M43 PolarHBondContact O-N 2.98Å; Q41-G44 PolarHBondContact O-N 2.77Å; Q41-A45 VanDerWaalsContact O-CB 3.22Å; Q41-A45 WeakPolarHBondContact O-CB 3.39Å; Q41-A45 PolarHBondContact O-N 2.72Å
42A54.5Low52.8Low56 Ų56116.9 Ų116.946%0.46360%0.598SS.*Hα-helixtrans-67.3-29.2177.400000113.7R38 T39 E40R38-A42 VanDerWaalsContact O-CB 3.3Å; R38-A42 WeakPolarHBondContact O-CB 3.29Å; R38-A42 PolarHBondContact O-N 3.15Å; T39-A42 PolarHBondContact O-N 3.04Å; E40-A42 PolarHBondContact O-N 3.37Å
43M51.9Low51.8Low122 Ų122119.3 Ų119.360%0.60162%0.618SS**Hα-helixtrans-85.4-38.7173.4-68.9-157.8-75.600112.5T39 E40 Q41 R46 L47T39-M43 HydrophobicContact CG2-CE 4.25Å; T39-M43 PolarHBondContact O-N 3.18Å; E40-M43 PolarHBondContact O-N 2.88Å; Q41-M43 VanDerWaalsContact C-N 3.33Å; Q41-M43 PolarHBondContact O-N 2.98Å; M43-R46 PolarHBondContact O-N 3.26Å; M43-R46 VanDerWaalsContact O-N 3.12Å; M43-L47 PolarHBondContact O-N 2.96Å
44G45.2Very low50.8Low39 Ų39122 Ų12240%0.40263%0.629SS.*Hα-helixtrans-60.8-46.7174.500000112.4E40 Q41 R46 L47E40-G44 PolarHBondContact O-N 3.39Å; Q41-G44 PolarHBondContact O-N 2.77Å; G44-R46 PolarHBondContact O-N 2.94Å; G44-R46 VanDerWaalsContact O-N 3.16Å; G44-L47 PolarHBondContact O-N 3.14Å; G44-L47 VanDerWaalsContact O-N 3.13Å
45A44.9Very low50Low75 Ų75123.6 Ų123.662%0.6264%0.644SS**Hα-helixtrans-64-18.3175.600000113.7Q41Q41-A45 VanDerWaalsContact O-CB 3.22Å; Q41-A45 WeakPolarHBondContact O-CB 3.39Å; Q41-A45 PolarHBondContact O-N 2.72Å
46R43.5Very low48.5Very low206 Ų206122.9 Ų122.978%0.77765%0.653SS**Hα-helixtrans-92.2-11.5175.7-83.7-177.2163.4-177.1-4.5114.6M43 G44M43-R46 PolarHBondContact O-N 3.26Å; M43-R46 VanDerWaalsContact O-N 3.12Å; G44-R46 PolarHBondContact O-N 2.94Å; G44-R46 VanDerWaalsContact O-N 3.16Å
47L40.9Very low47.7Very low131 Ų131120.3 Ų120.369%0.68666%0.656SS**Hα-helixtrans-92.9-16178.2-116.971.3000114M43 G44 T49 S50M43-L47 PolarHBondContact O-N 2.96Å; G44-L47 PolarHBondContact O-N 3.14Å; G44-L47 VanDerWaalsContact O-N 3.13Å; L47-T49 VanDerWaalsContact C-N 3.26Å; L47-T49 PolarHBondContact O-N 2.99Å; L47-S50 PolarHBondContact O-OG 3.1Å
48V44.5Very low46.8Very low127 Ų127127 Ų12777%0.7768%0.68SS**THydrogen-bonded Turntrans-83.42-175.7-177.80000112.8
49T42.9Very low46.3Very low127 Ų127125.7 Ų125.778%0.77968%0.684SS**THydrogen-bonded Turntrans-117.516.3176.152.80000114.2L47L47-T49 VanDerWaalsContact C-N 3.26Å; L47-T49 PolarHBondContact O-N 2.99Å
50S43.4Very low45.5Very low82 Ų82127 Ų12757%0.57370%0.703SS**SBendtrans-100.2129.6169.727.30000111.7L47L47-S50 PolarHBondContact O-OG 3.1Å
51R41.7Very low44.6Very low230 Ų230125.3 Ų125.387%0.86871%0.705SS**  trans-57.2147.1-177.4-68.8175.9173.2172.7-3.7112.4V53R51-V53 PolarHBondContact O-N 3.29Å
52P43Very low43.8Very low128 Ų128124.7 Ų124.783%0.83172%0.715SS**  trans-66.7102.6168.728.8-33.7000110Q54P52-Q54 PolarHBondContact O-N 2.88Å
53V44.6Very low43.3Very low122 Ų122128.1 Ų128.174%0.73973%0.731SS**  trans-74.4114.6169.21770000107.8R51 V55R51-V53 PolarHBondContact O-N 3.29Å; V53-V55 PolarHBondContact O-N 2.82Å
54Q44Very low42.8Very low176 Ų176127.4 Ų127.482%0.82275%0.745SS**  trans-66.8102.6171.8-72.9-176-17.300109.6P52 S56P52-Q54 PolarHBondContact O-N 2.88Å; Q54-S56 VanDerWaalsContact C-N 3.34Å; Q54-S56 PolarHBondContact O-N 3.08Å; Q54-S56 VanDerWaalsContact O-N 3.12Å
55V48Very low42.4Very low122 Ų122128.7 Ų128.774%0.73976%0.757SS**  trans-81.885.1169.8-174.80000108V53 T57V53-V55 PolarHBondContact O-N 2.82Å; V55-T57 PolarHBondContact O-N 3.07Å
56S39.2Very low42.3Very low98 Ų98133.4 Ų133.469%0.68577%0.771SS**  trans-6696.5174.9-62.50000110.8Q54 K58Q54-S56 VanDerWaalsContact C-N 3.34Å; Q54-S56 PolarHBondContact O-N 3.08Å; Q54-S56 VanDerWaalsContact O-N 3.12Å; S56-K58 PolarHBondContact O-N 3.2Å
57T45.1Very low42.2Very low115 Ų115129.6 Ų129.671%0.70678%0.776SS**  trans-63.5102.9165.336.10000109.3V55 I59V55-T57 PolarHBondContact O-N 3.07Å; T57-I59 VanDerWaalsContact C-N 3.29Å; T57-I59 PolarHBondContact O-N 2.87Å
58K41.1Very low42Very low205 Ų205128.9 Ų128.989%0.89178%0.782SS**  trans-67.387.3171.3-76.9-171.7174.7-175.90110S56 A60S56-K58 PolarHBondContact O-N 3.2Å; K58-A60 PolarHBondContact O-N 2.71Å
59I46.5Very low42.2Very low138 Ų138128 Ų12871%0.70878%0.779SS**  trans-71115.8163.1-49.4176.6000106.5T57 S61T57-I59 VanDerWaalsContact C-N 3.29Å; T57-I59 PolarHBondContact O-N 2.87Å; I59-S61 PolarHBondContact O-N 2.74Å
60A41.1Very low42.2Very low104 Ų104131 Ų13186%0.8678%0.784SS**  trans-79.263.7-177.300000111.8K58 S62K58-A60 PolarHBondContact O-N 2.71Å; A60-S62 VanDerWaalsContact C-N 3.33Å; A60-S62 PolarHBondContact O-N 3.05Å
61S37.6Very low42.2Very low95 Ų95134.7 Ų134.766%0.66479%0.792SS**  trans-7977.5176.8-59.60000111I59I59-S61 PolarHBondContact O-N 2.74Å
62S36.7Very low42.4Very low120 Ų120132.8 Ų132.884%0.83979%0.79SS**  trans-79.8117.7171.6-161.90000110A60A60-S62 VanDerWaalsContact C-N 3.33Å; A60-S62 PolarHBondContact O-N 3.05Å
63T43.4Very low42.4Very low128 Ų128133 Ų13379%0.78579%0.788SS**  trans-125.5160.5176.942.90000111
64A41.3Very low42.3Very low108 Ų108130.4 Ų130.489%0.89379%0.786SS**  trans69.6134.1-166.400000114.9
65G37.6Very low42.3Very low65 Ų65129.4 Ų129.467%0.6779%0.786SS**  cis179.5167.8-8.600000115.5
66I41.2Very low42.2Very low175 Ų175129.4 Ų129.490%0.89779%0.786SS**  trans46.595.4156.158.5154.1000121.1
67S42.3Very low42.5Very low126 Ų126129.7 Ų129.788%0.88179%0.788SS**  -159153128.756.90000110.4
68S37.1Very low42.4Very low116 Ų116130.7 Ų130.781%0.81180%0.797SS**  trans-122.6-166.5-169.7-150.40000111.1
69P48.3Very low42.4Very low109 Ų109124.4 Ų124.471%0.70879%0.79SS**  -130.2168.7-102.642.4-26.4000115.4
70E42.4Very low42.2Very low190 Ų190123 Ų12389%0.88879%0.792SS**  trans-176.8155.9158.8-105.1169.2150.600106.6
71E43.4Very low42.6Very low158 Ų158125.1 Ų125.174%0.73879%0.788SS**  cis-177.2158.7-33.5179.3176.8-132.700103.9
72K46.2Very low43Very low191 Ų191126.2 Ų126.283%0.8379%0.792SS**  trans96.598.8-177.5-59.5163.1179.8166.10113.1
73V44.4Very low43.2Very low131 Ų131126.5 Ų126.579%0.79479%0.793SS**  cis85123.748.9-178.90000112.9L75V73-L75 HydrophobicContact CG1-CD1 4.28Å
74G41.1Very low43.3Very low68 Ų68126.8 Ų126.870%0.70180%0.798SS**  trans129.379.5-17300000111.1
75L44.2Very low43.1Very low155 Ų155125.1 Ų125.181%0.81279%0.791SS**  58.4119.956.4-57.3-179.8000111.7V73V73-L75 HydrophobicContact CG1-CD1 4.28Å
76T46.6Very low43Very low122 Ų122127.8 Ų127.875%0.74880%0.799SS**  cis-144.8-168.61.468.70000109.3
77S44.5Very low43Very low104 Ų104123.9 Ų123.973%0.72779%0.787SS**  cis-155.3140.35.1-950000110
78P43.3Very low43.1Very low137 Ų137124.4 Ų124.489%0.8978%0.78SS**  trans-119.3143.116436.8-26000114.1
79G41.8Very low43.3Very low73 Ų73127 Ų12775%0.75378%0.78SS**  trans167.4153.1176.200000109.6
80S41.5Very low42.9Very low107 Ų107127 Ų12775%0.74878%0.779SS**  cis-138.7147.410.5-76.40000109
81L50.8Low43Very low149 Ų149124.7 Ų124.778%0.7878%0.778SS**  53.5135.672.6-49.2173.1000113.1
82T44.8Very low42.7Very low119 Ų119127.5 Ų127.573%0.7378%0.782SS**  cis-172.9157.4-5.6160000109
83S41.3Very low42.8Very low125 Ų125123.9 Ų123.987%0.87478%0.778SS**  trans-175.7124.6142.9-840000113.4
84P44.7Very low42.5Very low135 Ų135122.4 Ų122.488%0.87777%0.774SS**  trans-120.3169.6174.741-30.9000114.9
85G37.5Very low42.5Very low73 Ų73124.1 Ų124.175%0.75378%0.781SS**  trans147.6124.4169.400000111
86S36Very low41.9Very low121 Ų121119.4 Ų119.485%0.84677%0.77SS**  cis92.510430.8-172.10000114.5
87S41.7Very low41.6Very low92 Ų92124.3 Ų124.364%0.64378%0.776SS**  -176.9149.5115-126.30000113.1
88D43.3Very low41.4Very low138 Ų138129.8 Ų129.874%0.73878%0.781SS**  trans49.5152.3144.8-57-46.6000122.7
89Q41.2Very low41.1Very low171 Ų171134.3 Ų134.380%0.79978%0.78SS**  cis-169.3165.4-33.2-112.1-110.5-20.600106.4
90P40.7Very low41.1Very low107 Ų107136.3 Ų136.370%0.69578%0.782SS**  trans-103.1140.6-163.936.5-29.9000115.4
91V43.8Very low41Very low142 Ų142141.4 Ų141.486%0.86179%0.791SS**  trans-137.1132.2166.7-176.80000111.6
92R37.5Very low40.8Very low217 Ų217138.5 Ų138.582%0.81979%0.789SS**  trans-119.8112173.4174.5-167.9176.8-173.11.7109.9
93P48.7Very low40.9Very low116 Ų116138.1 Ų138.175%0.75379%0.789SS**  trans-74.9149.5167.2-15.631.5000111.6
94S36.8Very low41Very low100 Ų100144.8 Ų144.870%0.69979%0.794SS**  trans-141.193.1169.4-72.90000110.9
95A41.8Very low40.6Very low103 Ų103141.3 Ų141.385%0.85177%0.774SS**  trans-160.9153.8165.300000105.5
96G32.6Very low41.1Very low56 Ų56143 Ų14358%0.57777%0.774SS**  cis144.8154.410.800000107.5
97Y39Very low41.8Very low226 Ų226144.6 Ų144.689%0.88677%0.772SS**  trans66.6153.9-175.9-47.1-81.4000115.9
98R40.9Very low42.2Very low218 Ų218144.2 Ų144.282%0.82377%0.774SS**  -178.9127.1-52-103.9-89-162.4-177.55.8106.2
99R36.6Very low42.5Very low232 Ų232143.9 Ų143.988%0.87577%0.768SS**  trans67.6157.9177.3-62.1178.3174.5166.5-2112.9
100S41.3Very low42.6Very low115 Ų115139 Ų13980%0.80476%0.757SS**  cis-122.6158.116.7-70.80000115.1
101K40.5Very low43Very low214 Ų214143.2 Ų143.293%0.9376%0.76SS**  trans-74.7133.2171.3-63.2179.5177.6-177.30109.5
102A45.3Very low43.4Very low89 Ų89143.2 Ų143.274%0.73676%0.756SS**  trans-121.6124.6158.700000107.7
103P47.7Very low44Very low111 Ų111140.6 Ų140.672%0.72176%0.757SS**  trans-78133.2-17432-34.8000111.1S105P103-S105 PolarHBondContact O-N 3.45Å
104R44.2Very low44Very low264 Ų264140.6 Ų140.6100%0.99676%0.755SS**  trans-79.366.7171.7-73.8177.858.6130.8-1.7110.3
105S36.4Very low44.3Very low63 Ų63139 Ų13944%0.44175%0.754SS.*  trans-144.591.4-176.557.50000111.6P103P103-S105 PolarHBondContact O-N 3.45Å
106S47.7Very low44.5Very low109 Ų109141.6 Ų141.676%0.76275%0.753SS**SBendtrans-151.6-1816961.70000114.8
107L49.1Very low45Very low154 Ų154145.1 Ų145.181%0.80677%0.768SS**SBendtrans-93.1-25.7178.6-151.577.2000114
108A51.3Low45.2Very low83 Ų83137.5 Ų137.569%0.68676%0.759SS**SBendtrans-83.2-26.9-17600000113.8A110A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.91Å
109Q49.5Very low45.1Very low132 Ų132136.7 Ų136.762%0.61776%0.764SS**THydrogen-bonded Turntrans-83.9-2.9-177.1-71.6177-50.600113.9Y111Q109-Y111 PolarHBondContact O-N 3.11Å
110A42.8Very low45.2Very low67 Ų67131.4 Ų131.455%0.55476%0.763SS**THydrogen-bonded Turntrans-71.1-12.7-179.200000114A108A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.91Å
111Y50Low45.3Very low197 Ų197132.1 Ų132.177%0.77377%0.768SS**SBendtrans-98.6-21.5-175.5-69.5-82.2000114.3Q109 L113Q109-Y111 PolarHBondContact O-N 3.11Å; Y111-L113 VanDerWaalsContact C-N 3.3Å; Y111-L113 PolarHBondContact O-N 3.29Å
112D50.8Low45.3Very low142 Ų142125.1 Ų125.176%0.75976%0.756SS**THydrogen-bonded Turntrans-79.2-6.5-178.3-73-34.8000114.1
113L51Low45.2Very low161 Ų161126.2 Ų126.284%0.84376%0.759SS**THydrogen-bonded Turntrans-98.61.4-172.3-13877.1000115.2Y111 G115Y111-L113 VanDerWaalsContact C-N 3.3Å; Y111-L113 PolarHBondContact O-N 3.29Å; L113-G115 PolarHBondContact O-N 2.79Å; L113-G115 VanDerWaalsContact O-N 3.16Å
114V49.6Very low45Very low117 Ų117129.7 Ų129.771%0.70977%0.765SS**  trans-88.642.7174.7-1630000110.7L116V114-L116 PolarHBondContact O-N 3.24Å
115G41.9Very low44.7Very low66 Ų66121 Ų12168%0.6876%0.758SS**  trans-79.661.1174.400000112.1L113 S117L113-G115 PolarHBondContact O-N 2.79Å; L113-G115 VanDerWaalsContact O-N 3.16Å; G115-S117 PolarHBondContact O-N 2.62Å
116L46.5Very low45.2Very low158 Ų158126.2 Ų126.283%0.82778%0.775SS**  trans-88.8101.2175.8-69.5-179000110.7V114V114-L116 PolarHBondContact O-N 3.24Å
117S42Very low45.3Very low129 Ų129130.4 Ų130.490%0.90278%0.783SS**  trans-51138.6169-49.10000111.9G115G115-S117 PolarHBondContact O-N 2.62Å
118G43.6Very low45.6Very low67 Ų67132.3 Ų132.369%0.69179%0.787SS**  trans-167.937.6-17300000115.2S120G118-S120 PolarHBondContact O-N 3.11Å
119E38.5Very low46.2Very low201 Ų201130.5 Ų130.594%0.93978%0.777SS**  trans-1.4104.1156.445.3-177.237.500117.9
120S40.3Very low47.2Very low121 Ų121126.3 Ų126.385%0.84676%0.762SS**  trans-148.3124.6158.8-171.90000110.1G118G118-S120 PolarHBondContact O-N 3.11Å
121S42.6Very low49Very low130 Ų130132 Ų13291%0.90977%0.769SS**  trans-102.7123.8179.6-66.80000110.6
122G40.8Very low50.4Low66 Ų66125.3 Ų125.368%0.6875%0.749SS**  trans170.2123.1168.100000116.7
123S42.4Very low51.9Low113 Ų113123.3 Ų123.379%0.7974%0.738SS**  trans63.2132.3156.456.30000121.3
124E44.5Very low53.4Low183 Ų183121.4 Ų121.486%0.85573%0.725SS**  trans46.186.8144.1-65.3-176.584.800120.1H126E124-H126 VanDerWaalsContact C-N 3.32Å; E124-H126 PolarHBondContact O-N 2.8Å
125G37Very low54.8Low82 Ų82119.9 Ų119.985%0.84571%0.713SS**  75.79.194.400000118.2
126H47.2Very low56.8Low173 Ų173121.2 Ų121.280%0.80170%0.702SS**  trans-85.1137.9153-90.743.1000109.9E124 E128E124-H126 VanDerWaalsContact C-N 3.32Å; E124-H126 PolarHBondContact O-N 2.8Å; H126-E128 PolarHBondContact O-N 2.92Å; H126-E128 VanDerWaalsContact O-N 3.11Å
127Q50.6Low58.4Low197 Ų197120 Ų12092%0.92169%0.69SS**  trans-70.5105162.5-77.9-170.3-11.900107.7G129Q127-G129 PolarHBondContact O-N 3.43Å
128E53.9Low60.1Low194 Ų194117.3 Ų117.391%0.90767%0.665SS**  trans-69.562.4161.5-64.4-167.6132.500109.9H126 S130H126-E128 PolarHBondContact O-N 2.92Å; H126-E128 VanDerWaalsContact O-N 3.11Å; E128-S130 PolarHBondContact O-N 3.09Å
129G64Low61.8Low45 Ų45119.5 Ų119.546%0.46467%0.665SS.*  trans-58.4122.9154.500000106.3Q127 W131Q127-G129 PolarHBondContact O-N 3.43Å; G129-W131 PolarHBondContact O-N 3.09Å
130S71Confident63.9Low44 Ų44117.7 Ų117.731%0.30865%0.654SS.*  trans-55.1146.1-172.9177.20000109.9E128 T132 D133 E134E128-S130 PolarHBondContact O-N 3.09Å; S130-T132 VanDerWaalsContact CB-OG1 3.31Å; S130-T132 WeakPolarHBondContact CB-OG1 3.48Å; S130-T132 PolarHBondContact O-N 3.42Å; S130-T132 PolarHBondContact OG-N 3.12Å; S130-T132 PolarHBondContact OG-OG1 3.35Å; S130-D133 WeakPolarHBondContact CB-OD2 3.46Å; S130-D133 PolarHBondContact N-OD2 3.43Å; S130-D133 WeakPolarHBondContact O-CA 3.34Å; S130-D133 WeakPolarHBondContact O-CB 3.31Å; S130-D133 PolarHBondContact O-N 3.24Å; S130-E134 PolarHBondContact O-N 2.9Å
131W80.5Confident65.7Low186 Ų186113.8 Ų113.871%0.70562%0.622SS**Hα-helixtrans-55.4-24.9172.264.6-88.6000111.5G129 L135G129-W131 PolarHBondContact O-N 3.09Å; W131-L135 HydrophobicContact CE3-CD1 3.59Å; W131-L135 HydrophobicContact CZ3-CD1 3.63Å; W131-L135 WeakPolarHBondContact O-CB 3.49Å; W131-L135 VanDerWaalsContact O-CG 3.29Å; W131-L135 WeakPolarHBondContact O-CG 3.47Å; W131-L135 PolarHBondContact O-N 3Å
132T79.8Confident67.5Low57 Ų57110.6 Ų110.635%0.3560%0.599SS.*Hα-helixtrans-67.9-37.6169.256.50000113.1S130 L135 M136S130-T132 VanDerWaalsContact CB-OG1 3.31Å; S130-T132 WeakPolarHBondContact CB-OG1 3.48Å; S130-T132 PolarHBondContact O-N 3.42Å; S130-T132 PolarHBondContact OG-N 3.12Å; S130-T132 PolarHBondContact OG-OG1 3.35Å; T132-L135 PolarHBondContact O-N 3.23Å; T132-M136 VanDerWaalsContact O-CB 3.31Å; T132-M136 WeakPolarHBondContact O-CB 3.32Å; T132-M136 WeakPolarHBondContact O-CG 3.31Å; T132-M136 PolarHBondContact O-N 2.93Å
133D83.3Confident69.4Low100 Ų100113.8 Ų113.854%0.53560%0.597SS.*Hα-helixtrans-73.5-37.7177.4-63.6-44.1000111.5S130 M136 K137S130-D133 WeakPolarHBondContact CB-OD2 3.46Å; S130-D133 PolarHBondContact N-OD2 3.43Å; S130-D133 WeakPolarHBondContact O-CA 3.34Å; S130-D133 WeakPolarHBondContact O-CB 3.31Å; S130-D133 PolarHBondContact O-N 3.24Å; D133-M136 PolarHBondContact O-N 2.83Å; D133-K137 WeakPolarHBondContact O-CB 3.31Å; D133-K137 PolarHBondContact O-N 3.46Å
134E81Confident71.2Confident120 Ų120112.9 Ų112.956%0.56159%0.588SS**Hα-helixtrans-60.4-47.1168.8-71.4-127.2118.400111.3S130 M136 K137 I138S130-E134 PolarHBondContact O-N 2.9Å; E134-M136 PolarHBondContact O-N 3.34Å; E134-K137 WeakPolarHBondContact O-CB 3.3Å; E134-K137 PolarHBondContact O-N 3.02Å; E134-I138 WeakPolarHBondContact O-CD1 3.14Å; E134-I138 VanDerWaalsContact O-CG1 3.25Å; E134-I138 WeakPolarHBondContact O-CG1 3.23Å; E134-I138 PolarHBondContact O-N 3.43Å
135L79.8Confident72.8Confident86 Ų86109 Ų10945%0.4557%0.571SS.*Hα-helixtrans-62.4-41.9174.5-76.7177.1000112.4W131 T132 K137 I138 V139W131-L135 HydrophobicContact CE3-CD1 3.59Å; W131-L135 HydrophobicContact CZ3-CD1 3.63Å; W131-L135 WeakPolarHBondContact O-CB 3.49Å; W131-L135 VanDerWaalsContact O-CG 3.29Å; W131-L135 WeakPolarHBondContact O-CG 3.47Å; W131-L135 PolarHBondContact O-N 3Å; T132-L135 PolarHBondContact O-N 3.23Å; L135-K137 VanDerWaalsContact C-N 3.31Å; L135-K137 PolarHBondContact O-N 3.45Å; L135-I138 HydrophobicContact CD2-CD1 4.41Å; L135-I138 PolarHBondContact O-N 3.45Å; L135-V139 WeakPolarHBondContact O-CB 3.48Å; L135-V139 VanDerWaalsContact O-CG2 3.31Å; L135-V139 WeakPolarHBondContact O-CG2 3.42Å; L135-V139 PolarHBondContact O-N 3.04Å
136M83.4Confident74.8Confident94 Ų94106.8 Ų106.846%0.46354%0.54SS..Hα-helixtrans-69.3-29.6177.5-73.1-61.3-70.200112.1T132 D133 E134 K140T132-M136 VanDerWaalsContact O-CB 3.31Å; T132-M136 WeakPolarHBondContact O-CB 3.32Å; T132-M136 WeakPolarHBondContact O-CG 3.31Å; T132-M136 PolarHBondContact O-N 2.93Å; D133-M136 PolarHBondContact O-N 2.83Å; E134-M136 PolarHBondContact O-N 3.34Å; M136-K140 VanDerWaalsContact O-CB 3.29Å; M136-K140 WeakPolarHBondContact O-CB 3.4Å; M136-K140 WeakPolarHBondContact O-CD 3.48Å; M136-K140 WeakPolarHBondContact O-CG 3.37Å; M136-K140 PolarHBondContact O-N 3.41Å
137K81.1Confident76.4Confident131 Ų131102.2 Ų102.257%0.5752%0.521SS*.Hα-helixtrans-67.4-42.6168.6-175.6-179.7-178.9-177.70110.7D133 E134 L135 K140 E141D133-K137 WeakPolarHBondContact O-CB 3.31Å; D133-K137 PolarHBondContact O-N 3.46Å; E134-K137 WeakPolarHBondContact O-CB 3.3Å; E134-K137 PolarHBondContact O-N 3.02Å; L135-K137 VanDerWaalsContact C-N 3.31Å; L135-K137 PolarHBondContact O-N 3.45Å; K137-K140 PolarHBondContact O-N 3.07Å; K137-E141 WeakPolarHBondContact O-CB 3.37Å; K137-E141 PolarHBondContact O-N 3.38Å; K137-E141 VanDerWaalsContact O-N 3.09Å
138I76.3Confident77.9Confident74 Ų7496 Ų9638%0.37950%0.495SS..Hα-helixtrans-63.2-42174-65.4157.5000111.9E134 L135 E141E134-I138 WeakPolarHBondContact O-CD1 3.14Å; E134-I138 VanDerWaalsContact O-CG1 3.25Å; E134-I138 WeakPolarHBondContact O-CG1 3.23Å; E134-I138 PolarHBondContact O-N 3.43Å; L135-I138 HydrophobicContact CD2-CD1 4.41Å; L135-I138 PolarHBondContact O-N 3.45Å; I138-E141 PolarHBondContact O-N 3.36Å
139V79.4Confident79.1Confident113 Ų11389.4 Ų89.469%0.68546%0.461SS*.Hα-helixtrans-72.3-28.4-179.9169.80000112.9L135L135-V139 WeakPolarHBondContact O-CB 3.48Å; L135-V139 VanDerWaalsContact O-CG2 3.31Å; L135-V139 WeakPolarHBondContact O-CG2 3.42Å; L135-V139 PolarHBondContact O-N 3.04Å
140K83.9Confident79.9Confident162 Ų16292.9 Ų92.970%0.70447%0.467SS*.Hα-helixtrans-85.2-18.7176.4-73.2169.7-177.1172.40113.9M136 K137M136-K140 VanDerWaalsContact O-CB 3.29Å; M136-K140 WeakPolarHBondContact O-CB 3.4Å; M136-K140 WeakPolarHBondContact O-CD 3.48Å; M136-K140 WeakPolarHBondContact O-CG 3.37Å; M136-K140 PolarHBondContact O-N 3.41Å; K137-K140 PolarHBondContact O-N 3.07Å
141E77Confident80.4Confident39 Ų3997.3 Ų97.318%0.18248%0.481CS..SBendtrans-75.7138-174.7-164.8-176.1-91.500111.7K137 I138 M143 E145 T146 R149K137-E141 WeakPolarHBondContact O-CB 3.37Å; K137-E141 PolarHBondContact O-N 3.38Å; K137-E141 VanDerWaalsContact O-N 3.09Å; I138-E141 PolarHBondContact O-N 3.36Å; E141-M143 PolarHBondContact O-N 3.34Å; E141-E145 HydrophobicContact CG-CB 3.66Å; E141-E145 VanDerWaalsContact CG-OE2 3.3Å; E141-E145 WeakPolarHBondContact CG-OE2 3.39Å; E141-E145 WeakPolarHBondContact OE2-CB 3.32Å; E141-T146 WeakPolarHBondContact OE2-CA 3.48Å; E141-T146 WeakPolarHBondContact OE2-CB 3.22Å; E141-T146 PolarHBondContact OE2-N 3.45Å; E141-T146 PolarHBondContact OE2-OG1 3.03Å; E141-R149 IonicContact OE1-CZ 3.73Å; E141-R149 IonicContact OE1-NE 3.4Å; E141-R149 PolarHBondContact OE1-NE 3.18Å; E141-R149 IonicContact OE1-NH1 3.92Å; E141-R149 PolarHBondContact OE1-NH1 3.26Å; E141-R149 IonicContact OE1-NH2 3.47Å; E141-R149 PolarHBondContact OE1-NH2 2.72Å; E141-R149 IonicContact OE2-CZ 3.39Å; E141-R149 IonicContact OE2-NE 2.72Å; E141-R149 PolarHBondContact OE2-NE 3.28Å; E141-R149 VanDerWaalsContact OE2-NE 3.17Å; E141-R149 IonicContact OE2-NH1 3.26Å; E141-R149 IonicContact OE2-NH2 2.66Å; E141-R149 PolarHBondContact OE2-NH2 3.37Å
142P80.3Confident80.3Confident64 Ų6494.5 Ų94.542%0.41647%0.474SS..  trans-63.5134174.827.6-36.1000111.2P144 E145 T146P142-P144 VanDerWaalsContact C-N 3.34Å; P142-P144 HydrophobicContact CB-CG 4.33Å; P142-P144 WeakPolarHBondContact O-CD 3.45Å; P142-E145 HydrophobicContact CG-CB 4.48Å; P142-E145 VanDerWaalsContact CG-CD 3.44Å; P142-E145 HydrophobicContact CG-CG 4.18Å; P142-E145 WeakPolarHBondContact CG-OE1 3.43Å; P142-E145 PolarHBondContact O-N 2.91Å; P142-T146 PolarHBondContact O-N 3.37Å
143M81Confident79.7Confident133 Ų13399.4 Ų99.466%0.65549%0.487SS*.Hα-helixtrans-36-46179.7-170.563.352.200116.8E141 E145 T146 L147E141-M143 PolarHBondContact O-N 3.34Å; M143-E145 VanDerWaalsContact C-N 3.35Å; M143-E145 PolarHBondContact O-N 3.42Å; M143-T146 PolarHBondContact O-N 3.04Å; M143-L147 HydrophobicContact CG-CD1 4.28Å; M143-L147 WeakPolarHBondContact O-CG 3.36Å; M143-L147 PolarHBondContact O-N 2.75Å
144P80Confident78.7Confident93 Ų9398 Ų9860%0.60449%0.485SS*.Hα-helixtrans-58.5-38177.222-35.6000114.9P142 L147 D148P142-P144 VanDerWaalsContact C-N 3.34Å; P142-P144 HydrophobicContact CB-CG 4.33Å; P142-P144 WeakPolarHBondContact O-CD 3.45Å; P144-L147 PolarHBondContact O-N 3.42Å; P144-D148 PolarHBondContact O-N 3.23Å; P144-D148 VanDerWaalsContact O-N 3.09Å
145E79.2Confident77.6Confident103 Ų10396.2 Ų96.248%0.48148%0.482SS..Hα-helixtrans-71.1-38.1178.6-71.3165.1-155.100110.6E141 P142 M143 L147 D148 R149E141-E145 HydrophobicContact CG-CB 3.66Å; E141-E145 VanDerWaalsContact CG-OE2 3.3Å; E141-E145 WeakPolarHBondContact CG-OE2 3.39Å; E141-E145 WeakPolarHBondContact OE2-CB 3.32Å; P142-E145 HydrophobicContact CG-CB 4.48Å; P142-E145 VanDerWaalsContact CG-CD 3.44Å; P142-E145 HydrophobicContact CG-CG 4.18Å; P142-E145 WeakPolarHBondContact CG-OE1 3.43Å; P142-E145 PolarHBondContact O-N 2.91Å; M143-E145 VanDerWaalsContact C-N 3.35Å; M143-E145 PolarHBondContact O-N 3.42Å; E145-L147 VanDerWaalsContact C-N 3.3Å; E145-L147 PolarHBondContact O-N 2.89Å; E145-D148 WeakPolarHBondContact O-CA 3.36Å; E145-D148 WeakPolarHBondContact O-CB 3.43Å; E145-D148 PolarHBondContact O-N 2.88Å; E145-R149 PolarHBondContact O-N 2.94Å
146T77.8Confident76.5Confident34 Ų3495.6 Ų95.621%0.20949%0.485CS..Hα-helixtrans-67.2-34.9176.5-75.90000111.3E141 P142 M143 D148 R149 M150E141-T146 WeakPolarHBondContact OE2-CA 3.48Å; E141-T146 WeakPolarHBondContact OE2-CB 3.22Å; E141-T146 PolarHBondContact OE2-N 3.45Å; E141-T146 PolarHBondContact OE2-OG1 3.03Å; P142-T146 PolarHBondContact O-N 3.37Å; M143-T146 PolarHBondContact O-N 3.04Å; T146-D148 VanDerWaalsContact C-N 3.33Å; T146-R149 PolarHBondContact OG1-NH2 2.94Å; T146-M150 VanDerWaalsContact O-CB 3.23Å; T146-M150 WeakPolarHBondContact O-CB 3.44Å; T146-M150 PolarHBondContact O-N 3Å
147L81.9Confident75.1Confident77 Ų7796.9 Ų96.940%0.40349%0.493SS..Hα-helixtrans-66.3-32.2170.3-68.4174.3000112.5M143 P144 E145 M150 K151M143-L147 HydrophobicContact CG-CD1 4.28Å; M143-L147 WeakPolarHBondContact O-CG 3.36Å; M143-L147 PolarHBondContact O-N 2.75Å; P144-L147 PolarHBondContact O-N 3.42Å; E145-L147 VanDerWaalsContact C-N 3.3Å; E145-L147 PolarHBondContact O-N 2.89Å; L147-M150 HydrophobicContact CD2-CE 3.7Å; L147-K151 VanDerWaalsContact O-CG 3.29Å; L147-K151 WeakPolarHBondContact O-CG 3.43Å; L147-K151 PolarHBondContact O-N 3.45Å
148D81.9Confident73.8Confident67 Ų6795 Ų9536%0.35850%0.496SS..Hα-helixtrans-73.3-43.2175.7-17167.4000112.7P144 E145 T146 M150 K151 K152P144-D148 PolarHBondContact O-N 3.23Å; P144-D148 VanDerWaalsContact O-N 3.09Å; E145-D148 WeakPolarHBondContact O-CA 3.36Å; E145-D148 WeakPolarHBondContact O-CB 3.43Å; E145-D148 PolarHBondContact O-N 2.88Å; T146-D148 VanDerWaalsContact C-N 3.33Å; D148-M150 VanDerWaalsContact C-N 3.34Å; D148-M150 PolarHBondContact O-N 3.35Å; D148-K151 WeakPolarHBondContact O-CB 3.37Å; D148-K151 PolarHBondContact O-N 3.37Å; D148-K152 PolarHBondContact O-N 3.43Å; D148-K152 VanDerWaalsContact OD2-CE 3.23Å; D148-K152 WeakPolarHBondContact OD2-CE 3.38Å; D148-K152 IonicContact OD2-NZ 2.95Å; D148-K152 PolarHBondContact OD2-NZ 3.5Å
149R79.7Confident72.7Confident55 Ų5598.6 Ų98.621%0.20851%0.511CS..Hα-helixtrans-58.1-46.9169.6-64-168.5-54.7-154-7.8111.2E141 E145 T146 K151 K152 Y153E141-R149 IonicContact OE1-CZ 3.73Å; E141-R149 IonicContact OE1-NE 3.4Å; E141-R149 PolarHBondContact OE1-NE 3.18Å; E141-R149 IonicContact OE1-NH1 3.92Å; E141-R149 PolarHBondContact OE1-NH1 3.26Å; E141-R149 IonicContact OE1-NH2 3.47Å; E141-R149 PolarHBondContact OE1-NH2 2.72Å; E141-R149 IonicContact OE2-CZ 3.39Å; E141-R149 IonicContact OE2-NE 2.72Å; E141-R149 PolarHBondContact OE2-NE 3.28Å; E141-R149 VanDerWaalsContact OE2-NE 3.17Å; E141-R149 IonicContact OE2-NH1 3.26Å; E141-R149 IonicContact OE2-NH2 2.66Å; E141-R149 PolarHBondContact OE2-NH2 3.37Å; E145-R149 PolarHBondContact O-N 2.94Å; T146-R149 PolarHBondContact OG1-NH2 2.94Å; R149-K151 VanDerWaalsContact C-N 3.3Å; R149-K151 PolarHBondContact O-N 3.28Å; R149-K152 WeakPolarHBondContact O-CB 3.25Å; R149-K152 PolarHBondContact O-N 3.47Å; R149-K152 VanDerWaalsContact O-N 3.1Å; R149-Y153 HydrophobicContact CB-CE2 4.22Å; R149-Y153 WeakPolarHBondContact O-CD2 3.34Å; R149-Y153 PolarHBondContact O-N 2.93Å
150M78.9Confident71.4Confident118 Ų11898.7 Ų98.758%0.58151%0.507SS*.Hα-helixtrans-62.7-34.7179-169.6177.872.100112.4T146 L147 D148 S154T146-M150 VanDerWaalsContact O-CB 3.23Å; T146-M150 WeakPolarHBondContact O-CB 3.44Å; T146-M150 PolarHBondContact O-N 3Å; L147-M150 HydrophobicContact CD2-CE 3.7Å; D148-M150 VanDerWaalsContact C-N 3.34Å; D148-M150 PolarHBondContact O-N 3.35Å; M150-S154 VanDerWaalsContact O-CB 3.29Å; M150-S154 WeakPolarHBondContact O-CB 3.3Å; M150-S154 PolarHBondContact O-N 2.89Å
151K81.8Confident69.8Low137 Ų13796 Ų9660%0.59651%0.507SS*.Hα-helixtrans-61.3-49.9169.5-77.7169.1-177175.70111.5L147 D148 R149 Y153 S154 T155L147-K151 VanDerWaalsContact O-CG 3.29Å; L147-K151 WeakPolarHBondContact O-CG 3.43Å; L147-K151 PolarHBondContact O-N 3.45Å; D148-K151 WeakPolarHBondContact O-CB 3.37Å; D148-K151 PolarHBondContact O-N 3.37Å; R149-K151 VanDerWaalsContact C-N 3.3Å; R149-K151 PolarHBondContact O-N 3.28Å; K151-Y153 PolarHBondContact O-N 3.21Å; K151-S154 CarbonylContact O-C 3.56Å; K151-S154 WeakPolarHBondContact O-CA 3.34Å; K151-S154 WeakPolarHBondContact O-CB 3.28Å; K151-S154 PolarHBondContact O-N 3.24Å; K151-T155 PolarHBondContact O-N 3.01Å; K151-T155 PolarHBondContact O-OG1 3.35Å; K151-T155 VanDerWaalsContact O-OG1 3.12Å
152K79.1Confident68.6Low128 Ų128100.2 Ų100.256%0.55754%0.538SS*.Hα-helixtrans-55.2-48179.6-73.6161.1173.5160.40111.7D148 R149 S154 T155 S156D148-K152 PolarHBondContact O-N 3.43Å; D148-K152 VanDerWaalsContact OD2-CE 3.23Å; D148-K152 WeakPolarHBondContact OD2-CE 3.38Å; D148-K152 IonicContact OD2-NZ 2.95Å; D148-K152 PolarHBondContact OD2-NZ 3.5Å; R149-K152 WeakPolarHBondContact O-CB 3.25Å; R149-K152 PolarHBondContact O-N 3.47Å; R149-K152 VanDerWaalsContact O-N 3.1Å; K152-S154 PolarHBondContact O-N 3.37Å; K152-T155 PolarHBondContact O-N 3.37Å; K152-S156 PolarHBondContact O-N 3.38Å; K152-S156 PolarHBondContact O-OG 2.82Å
153Y67.8Low67Low160 Ų160101.7 Ų101.763%0.62755%0.549SS*.Hα-helixtrans-66-33.8174.8-62.5-62.8000113.3R149 K151 S156 L157R149-Y153 HydrophobicContact CB-CE2 4.22Å; R149-Y153 WeakPolarHBondContact O-CD2 3.34Å; R149-Y153 PolarHBondContact O-N 2.93Å; K151-Y153 PolarHBondContact O-N 3.21Å; Y153-S156 PolarHBondContact O-N 3.02Å; Y153-L157 PolarHBondContact O-N 3.06Å
154S61.1Low65.3Low71 Ų71101.2 Ų101.250%0.49756%0.556SS.*Hα-helixtrans-67.3-33174.6-171.10000112.8M150 K151 K152 S156 L157 S158M150-S154 VanDerWaalsContact O-CB 3.29Å; M150-S154 WeakPolarHBondContact O-CB 3.3Å; M150-S154 PolarHBondContact O-N 2.89Å; K151-S154 CarbonylContact O-C 3.56Å; K151-S154 WeakPolarHBondContact O-CA 3.34Å; K151-S154 WeakPolarHBondContact O-CB 3.28Å; K151-S154 PolarHBondContact O-N 3.24Å; K152-S154 PolarHBondContact O-N 3.37Å; S154-S156 VanDerWaalsContact C-N 3.34Å; S154-L157 PolarHBondContact O-N 3.23Å; S154-S158 PolarHBondContact O-N 2.96Å; S154-S158 VanDerWaalsContact O-N 3.15Å; S154-S158 PolarHBondContact O-OG 3.39Å
155T58.1Low63.7Low82 Ų82101.8 Ų101.850%0.50356%0.558SS.*Hα-helixtrans-70.6-28.6172.6-51.50000112.3K151 K152 S158 Q159K151-T155 PolarHBondContact O-N 3.01Å; K151-T155 PolarHBondContact O-OG1 3.35Å; K151-T155 VanDerWaalsContact O-OG1 3.12Å; K152-T155 PolarHBondContact O-N 3.37Å; T155-S158 WeakPolarHBondContact CA-OG 3.45Å; T155-S158 PolarHBondContact O-OG 3.35Å; T155-Q159 PolarHBondContact O-NE2 3.17Å; T155-Q159 VanDerWaalsContact O-NE2 3.09Å
156S56.2Low61.9Low73 Ų73100.2 Ų100.251%0.5156%0.562SS.*Hα-helixtrans-72-42.7170.2-55.50000112.1K152 Y153 S154 S158 Q159K152-S156 PolarHBondContact O-N 3.38Å; K152-S156 PolarHBondContact O-OG 2.82Å; Y153-S156 PolarHBondContact O-N 3.02Å; S154-S156 VanDerWaalsContact C-N 3.34Å; S156-S158 PolarHBondContact O-N 3.06Å; S156-Q159 PolarHBondContact O-N 3.3Å; S156-Q159 VanDerWaalsContact O-N 3.09Å
157L54.5Low60.1Low121 Ų121109 Ų10963%0.63459%0.593SS**Hα-helixtrans-63.4-27.2176.5-84.6162.4000113.7Y153 S154 Q159 L160Y153-L157 PolarHBondContact O-N 3.06Å; S154-L157 PolarHBondContact O-N 3.23Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-L160 HydrophobicContact CD2-CD1 3.98Å
158S54.9Low58.3Low90 Ų90111 Ų11163%0.62961%0.609SS**THydrogen-bonded Turntrans-86.9-0.1175.5390000114.3S154 T155 S156S154-S158 PolarHBondContact O-N 2.96Å; S154-S158 VanDerWaalsContact O-N 3.15Å; S154-S158 PolarHBondContact O-OG 3.39Å; T155-S158 WeakPolarHBondContact CA-OG 3.45Å; T155-S158 PolarHBondContact O-OG 3.35Å; S156-S158 PolarHBondContact O-N 3.06Å
159Q52.6Low56.2Low150 Ų150113.2 Ų113.270%0.70163%0.629SS**THydrogen-bonded Turntrans-97.3-1.4166.8-76.2172.882.300113.2T155 S156 L157T155-Q159 PolarHBondContact O-NE2 3.17Å; T155-Q159 VanDerWaalsContact O-NE2 3.09Å; S156-Q159 PolarHBondContact O-N 3.3Å; S156-Q159 VanDerWaalsContact O-N 3.09Å; L157-Q159 VanDerWaalsContact C-N 3.34Å
160L52.8Low54.6Low115 Ų115118.1 Ų118.160%0.60265%0.652SS**SBendtrans-60.2130.5162.6-67.8176.6000108.3L157L157-L160 HydrophobicContact CD2-CD1 3.98Å
161P49Very low53Low107 Ų107119.4 Ų119.470%0.69566%0.657SS**  trans-58.5143.317725.8-34.1000109.2S163P161-S163 PolarHBondContact O-N 2.77Å
162P52.6Low50.9Low127 Ų127124 Ų12483%0.82567%0.672SS**  trans-56.9113.6179.423.3-33000108.8
163S45.5Very low49.1Very low95 Ų95126.9 Ų126.966%0.66469%0.688SS**  trans-51132.6-179.61790000109.1P161 V165P161-S163 PolarHBondContact O-N 2.77Å; S163-V165 PolarHBondContact O-N 3.5Å
164P45.8Very low47.9Very low122 Ų122125.1 Ų125.179%0.79270%0.699SS**SBendtrans-75.849.4-169.731.5-37000113.5A166P164-A166 PolarHBondContact O-N 3.17Å
165V46.8Very low46.7Very low106 Ų106125 Ų12564%0.64271%0.708SS**  trans-73.962.1155-1690000107.6S163 Y167S163-V165 PolarHBondContact O-N 3.5Å; V165-Y167 HydrophobicContact CG1-CD2 4.35Å; V165-Y167 HydrophobicContact CG1-CE2 4.13Å; V165-Y167 PolarHBondContact O-N 2.91Å; V165-Y167 VanDerWaalsContact O-N 3.11Å
166A41.9Very low45.9Very low70 Ų70132.6 Ų132.658%0.57973%0.728SS**  trans-66.9110.9176.400000108.3P164 T168P164-A166 PolarHBondContact O-N 3.17Å; A166-T168 HydrophobicContact CB-CG2 4.1Å; A166-T168 PolarHBondContact O-N 3.38Å
167Y39.1Very low45.2Very low218 Ų218135.3 Ų135.386%0.85574%0.743SS**  trans-71.562.2172.3-91.5-97.8000110.5V165 S169V165-Y167 HydrophobicContact CG1-CD2 4.35Å; V165-Y167 HydrophobicContact CG1-CE2 4.13Å; V165-Y167 PolarHBondContact O-N 2.91Å; V165-Y167 VanDerWaalsContact O-N 3.11Å; Y167-S169 VanDerWaalsContact C-N 3.27Å; Y167-S169 PolarHBondContact O-N 3.49Å
168T44.7Very low44.4Very low118 Ų118133.2 Ų133.272%0.72475%0.751SS**  trans-80.276.317454.20000109.7A166 K170A166-T168 HydrophobicContact CB-CG2 4.1Å; A166-T168 PolarHBondContact O-N 3.38Å; T168-K170 VanDerWaalsContact C-N 3.25Å; T168-K170 PolarHBondContact O-N 3.35Å
169S37.6Very low43.8Very low114 Ų114140.6 Ų140.680%0.79777%0.765SS**  trans-73.675.317458.70000111Y167Y167-S169 VanDerWaalsContact C-N 3.27Å; Y167-S169 PolarHBondContact O-N 3.49Å
170K44.9Very low43.1Very low159 Ų159140.4 Ų140.469%0.69177%0.774SS**  trans-138.9133170.2-83.6-160149.1-82.40113.5T168T168-K170 VanDerWaalsContact C-N 3.25Å; T168-K170 PolarHBondContact O-N 3.35Å
171E46.2Very low42.8Very low144 Ų144139.9 Ų139.967%0.67378%0.778SS**  trans18.5116.9156.2-65.7111.7150.500119.2E173E171-E173 PolarHBondContact O-N 2.95Å
172Y36.8Very low42.5Very low234 Ų234142.2 Ų142.292%0.91879%0.79SS**  trans-59.3124.6146.1-89.4-114.1000108.6
173E42.8Very low42.2Very low189 Ų189145.4 Ų145.488%0.88379%0.79SS**  -162.3141.9123.4-114.3175.9148.900114.7E171E171-E173 PolarHBondContact O-N 2.95Å
174S41.1Very low42.1Very low123 Ų123148.7 Ų148.786%0.8680%0.796SS**  trans26.7128.5149-156.60000121.6
175G37.2Very low41.9Very low67 Ų67149.1 Ų149.169%0.69180%0.796SS**  11859.712700000120
176R40.2Very low42.1Very low243 Ų243150.5 Ų150.592%0.91780%0.798SS**  trans-164.6121.2140.1-114.3171.3-170.6-146.40.4113.6
177P43.4Very low42.4Very low129 Ų129153 Ų15384%0.83881%0.807SS**  trans-77.6158162.333.9-33.1000110.4
178G37Very low42.6Very low77 Ų77150.3 Ų150.379%0.79480%0.802SS**  trans103.247.4164.600000117.8
179R42.3Very low42.6Very low246 Ų246147.9 Ų147.993%0.92879%0.79SS**  trans-165.4115.4142.3-108.3169.2-166.2-149.71.5109.8P181R179-P181 WeakPolarHBondContact O-CD 3.5Å
180T37.8Very low42.7Very low146 Ų146151.2 Ų151.290%0.89679%0.786SS**  trans-87.5118176.434.30000110.8
181P46.6Very low42.4Very low104 Ų104147.5 Ų147.568%0.67578%0.78SS**  trans-86.7131.3159.7613.8000108.7R179 K183R179-P181 WeakPolarHBondContact O-CD 3.5Å; P181-K183 PolarHBondContact O-N 3.49Å; P181-K183 VanDerWaalsContact O-N 3.08Å
182V41.3Very low42.1Very low155 Ų155145.2 Ų145.294%0.93978%0.776SS**  trans-58.5113.1173.7-179.80000109.1
183K46.6Very low42.5Very low194 Ų194138.2 Ų138.284%0.84376%0.761SS**  trans-148.738.8-171.6-147.7179.5-175.5-177.30114.4P181P181-K183 PolarHBondContact O-N 3.49Å; P181-K183 VanDerWaalsContact O-N 3.08Å
184E44.2Very low42.3Very low165 Ų165137.8 Ų137.877%0.77175%0.753SS**  trans-127.9177.4177.9-64-177.3150.900110.8I186E184-I186 PolarHBondContact O-N 3.44Å
185T41.9Very low42.5Very low131 Ų131140.2 Ų140.280%0.80475%0.748SS**SBendtrans75-1.2163.2-21.70000120.5
186I50.5Low42.9Very low134 Ų134145.6 Ų145.669%0.68776%0.755SS**SBendtrans-105.3-28.8178.2-60.5-178000114.6E184 S189E184-I186 PolarHBondContact O-N 3.44Å; I186-S189 PolarHBondContact O-OG 2.97Å
187T47.5Very low43.1Very low124 Ų124138.8 Ų138.876%0.76174%0.741SS**SBendtrans-86.9-18-172.115.60000115.9
188E44.7Very low43.3Very low160 Ų160136.8 Ų136.875%0.74873%0.729SS**SBendtrans-89.1-30.1-177.1-65.2-164.3123.100113.8Y190 S191E188-Y190 VanDerWaalsContact C-N 3.27Å; E188-Y190 PolarHBondContact O-N 2.98Å; E188-S191 PolarHBondContact O-N 3.34Å
189S43.1Very low43.6Very low67 Ų67137.3 Ų137.347%0.46972%0.72SS.*Hα-helixtrans-62.9-28.6-177.644.90000113.8I186 T192I186-S189 PolarHBondContact O-OG 2.97Å; S189-T192 PolarHBondContact O-OG1 2.91Å
190Y39.7Very low44Very low185 Ų185131.7 Ų131.773%0.72570%0.704SS**Hα-helixtrans-78.8-14.8173.3-75.8-83.6000114.2E188E188-Y190 VanDerWaalsContact C-N 3.27Å; E188-Y190 PolarHBondContact O-N 2.98Å
191S39.4Very low44.7Very low80 Ų80127.4 Ų127.456%0.55968%0.68SS**Hα-helixtrans-94.4-14.3-175.9-66.30000114.4E188E188-S191 PolarHBondContact O-N 3.34Å
192T40.4Very low45.2Very low97 Ų97126.9 Ų126.960%0.59568%0.679SS**Hα-helixtrans-94.1-42.6-179.247.80000112.7S189 Y194 K195S189-T192 PolarHBondContact O-OG1 2.91Å; T192-Y194 VanDerWaalsContact C-N 3.26Å; T192-Y194 PolarHBondContact O-N 2.98Å; T192-Y194 VanDerWaalsContact O-N 3.1Å; T192-K195 PolarHBondContact O-N 3.49Å; T192-K195 VanDerWaalsContact O-N 3.14Å
193S43.9Very low46.1Very low86 Ų86122.3 Ų122.360%0.60165%0.654SS**THydrogen-bonded Turntrans-58.4-28.5-171.8-170.50000115.4
194Y39.4Very low46.9Very low181 Ų181116.5 Ų116.571%0.7163%0.632SS**THydrogen-bonded Turntrans-84.7-7.7-177.8-83.1-77.9000115T192 S198T192-Y194 VanDerWaalsContact C-N 3.26Å; T192-Y194 PolarHBondContact O-N 2.98Å; T192-Y194 VanDerWaalsContact O-N 3.1Å; Y194-S198 PolarHBondContact O-OG 3.15Å
195K46.1Very low47.8Very low173 Ų173112.7 Ų112.775%0.75262%0.616SS**SBendtrans-88.4-15.1-172.2-78.7-174.6175.31740115.7T192T192-K195 PolarHBondContact O-N 3.49Å; T192-K195 VanDerWaalsContact O-N 3.14Å
196E45.9Very low48.6Very low181 Ų181109.6 Ų109.685%0.84659%0.594SS**SBendtrans-116.6-11.1-166-149151.4-140.900114.7
197T43.7Very low49.2Very low100 Ų100107.3 Ų107.361%0.61358%0.583SS**SBendtrans-111.9-24.4-17551.70000115.1
198S46.7Very low49.9Very low86 Ų86109.3 Ų109.360%0.60158%0.582SS**THydrogen-bonded Turntrans-84.4-9.7-17557.40000114.9Y194Y194-S198 PolarHBondContact O-OG 3.15Å
199C44.1Very low50.7Low89 Ų89108.1 Ų108.160%0.60158%0.58SS**THydrogen-bonded Turntrans-97.627.2-176.3-68.90000114S201C199-S201 PolarHBondContact O-N 2.91Å
200H50.1Low51.5Low127 Ų127107.4 Ų107.459%0.58857%0.57SS**SBendtrans-59.1123.7151.8-74.735.6000106.4S202H200-S202 PolarHBondContact O-N 3.03Å
201S52.4Low53Low57 Ų57104.1 Ų104.140%0.39957%0.565SS.*  trans-59142.9-176.8-174.70000108.9C199 S203 D204 I205C199-S201 PolarHBondContact O-N 2.91Å; S201-S203 CarbonylContact O-C 3.46Å; S201-S203 PolarHBondContact O-N 3.48Å; S201-S203 VanDerWaalsContact O-N 3.11Å; S201-S203 WeakPolarHBondContact OG-CB 3.39Å; S201-S203 PolarHBondContact OG-N 3.45Å; S201-D204 VanDerWaalsContact CB-CG 3.45Å; S201-D204 VanDerWaalsContact CB-OD2 3.23Å; S201-D204 WeakPolarHBondContact CB-OD2 3.48Å; S201-D204 PolarHBondContact N-OD2 3.5Å; S201-D204 WeakPolarHBondContact O-CB 3.44Å; S201-D204 PolarHBondContact O-N 3.13Å; S201-I205 PolarHBondContact O-N 3.38Å
202S57Low54.8Low93 Ų93108.5 Ų108.565%0.6557%0.574SS**Hα-helixtrans-57.7-25.3169.3-51.10000110.8H200 L206H200-S202 PolarHBondContact O-N 3.03Å; S202-L206 WeakPolarHBondContact O-CB 3.3Å; S202-L206 VanDerWaalsContact O-CD1 3.3Å; S202-L206 WeakPolarHBondContact O-CD1 3.4Å; S202-L206 WeakPolarHBondContact O-CG 3.42Å; S202-L206 PolarHBondContact O-N 3.28Å
203S60.7Low56.5Low58 Ų58109.9 Ų109.941%0.40657%0.574SS.*Hα-helixtrans-58-59.3165-151.40000111.4S201 I205 L206 D207S201-S203 CarbonylContact O-C 3.46Å; S201-S203 PolarHBondContact O-N 3.48Å; S201-S203 VanDerWaalsContact O-N 3.11Å; S201-S203 WeakPolarHBondContact OG-CB 3.39Å; S201-S203 PolarHBondContact OG-N 3.45Å; S203-I205 CarbonylContact O-C 3.58Å; S203-I205 PolarHBondContact O-N 2.9Å; S203-L206 CarbonylContact O-C 3.56Å; S203-L206 WeakPolarHBondContact O-CA 3.22Å; S203-L206 PolarHBondContact O-N 2.86Å; S203-D207 WeakPolarHBondContact CB-OD2 3.39Å; S203-D207 VanDerWaalsContact O-CB 3.31Å; S203-D207 WeakPolarHBondContact O-CB 3.43Å; S203-D207 VanDerWaalsContact O-CG 3.26Å; S203-D207 PolarHBondContact O-N 3.16Å; S203-D207 PolarHBondContact OG-OD2 2.87Å
204D63.2Low57.9Low72 Ų72110.2 Ų110.239%0.38557%0.566SS.*Hα-helixtrans-54.3-22.7-174.6-48.3-26.8000114.8S201 K208S201-D204 VanDerWaalsContact CB-CG 3.45Å; S201-D204 VanDerWaalsContact CB-OD2 3.23Å; S201-D204 WeakPolarHBondContact CB-OD2 3.48Å; S201-D204 PolarHBondContact N-OD2 3.5Å; S201-D204 WeakPolarHBondContact O-CB 3.44Å; S201-D204 PolarHBondContact O-N 3.13Å; D204-K208 VanDerWaalsContact O-CD 3.31Å; D204-K208 WeakPolarHBondContact O-CD 3.49Å; D204-K208 VanDerWaalsContact O-CG 3.32Å; D204-K208 WeakPolarHBondContact O-CG 3.4Å
205I62.8Low59.4Low86 Ų86103 Ų10344%0.44154%0.539SS..Hα-helixtrans-87.1-46.2175-60.9175.9000110.7S201 S203 D207 K208 L209S201-I205 PolarHBondContact O-N 3.38Å; S203-I205 CarbonylContact O-C 3.58Å; S203-I205 PolarHBondContact O-N 2.9Å; I205-D207 PolarHBondContact O-N 2.66Å; I205-K208 PolarHBondContact O-N 2.94Å; I205-L209 HydrophobicContact CG2-CD1 3.72Å; I205-L209 HydrophobicContact CG2-CG 4.44Å; I205-L209 WeakPolarHBondContact O-CB 3.36Å; I205-L209 WeakPolarHBondContact O-CG 3.41Å; I205-L209 PolarHBondContact O-N 2.88Å
206L60.2Low60.9Low66 Ų6699.9 Ų99.935%0.34653%0.527SS..Hα-helixtrans-65.1-25.4172.6-63.7167000112.4S202 S203 K208 L210 Q215 V218S202-L206 WeakPolarHBondContact O-CB 3.3Å; S202-L206 VanDerWaalsContact O-CD1 3.3Å; S202-L206 WeakPolarHBondContact O-CD1 3.4Å; S202-L206 WeakPolarHBondContact O-CG 3.42Å; S202-L206 PolarHBondContact O-N 3.28Å; S203-L206 CarbonylContact O-C 3.56Å; S203-L206 WeakPolarHBondContact O-CA 3.22Å; S203-L206 PolarHBondContact O-N 2.86Å; L206-K208 VanDerWaalsContact C-N 3.3Å; L206-L210 HydrophobicContact CB-CD1 4.42Å; L206-L210 HydrophobicContact CD2-CD1 3.49Å; L206-L210 VanDerWaalsContact CD2-CD1 3.49Å; L206-L210 HydrophobicContact CD2-CG 4.34Å; L206-Q215 PolarHBondContact O-NE2 2.95Å; L206-V218 HydrophobicContact CD1-CG1 4.49Å
207D61.5Low62.5Low85 Ų8595.7 Ų95.746%0.45551%0.51SS..Hα-helixtrans-80.9-5.9176.2-69.4-47.4000113.5S203 I205 Q215S203-D207 WeakPolarHBondContact CB-OD2 3.39Å; S203-D207 VanDerWaalsContact O-CB 3.31Å; S203-D207 WeakPolarHBondContact O-CB 3.43Å; S203-D207 VanDerWaalsContact O-CG 3.26Å; S203-D207 PolarHBondContact O-N 3.16Å; S203-D207 PolarHBondContact OG-OD2 2.87Å; I205-D207 PolarHBondContact O-N 2.66Å; D207-Q215 VanDerWaalsContact CA-NE2 3.35Å; D207-Q215 PolarHBondContact OD1-NE2 3.23Å
208K63.8Low64.2Low167 Ų16793.4 Ų93.473%0.72650%0.496SS*.Hα-helixtrans-120.2-22.1177.1-68.9175.7-172.2172.20114.6D204 I205 L206D204-K208 VanDerWaalsContact O-CD 3.31Å; D204-K208 WeakPolarHBondContact O-CD 3.49Å; D204-K208 VanDerWaalsContact O-CG 3.32Å; D204-K208 WeakPolarHBondContact O-CG 3.4Å; I205-K208 PolarHBondContact O-N 2.94Å; L206-K208 VanDerWaalsContact C-N 3.3Å
209L60.2Low65.9Low135 Ų13594.2 Ų94.271%0.70749%0.489SS*.Hα-helixtrans-109.1-15.6-173.8-63.9-179.2000115.1I205I205-L209 HydrophobicContact CG2-CD1 3.72Å; I205-L209 HydrophobicContact CG2-CG 4.44Å; I205-L209 WeakPolarHBondContact O-CB 3.36Å; I205-L209 WeakPolarHBondContact O-CG 3.41Å; I205-L209 PolarHBondContact O-N 2.88Å
210L59.8Low67.9Low52 Ų5294.1 Ų94.127%0.27248%0.482SS..SBendtrans-114.8139.6-176.6-65.6-178.5000111.7L206 E214 Q215 V218L206-L210 HydrophobicContact CB-CD1 4.42Å; L206-L210 HydrophobicContact CD2-CD1 3.49Å; L206-L210 VanDerWaalsContact CD2-CD1 3.49Å; L206-L210 HydrophobicContact CD2-CG 4.34Å; L210-E214 HydrophobicContact CB-CB 4.04Å; L210-E214 HydrophobicContact CD2-CB 4.11Å; L210-E214 HydrophobicContact CG-CB 4.45Å; L210-Q215 HydrophobicContact CB-CG 4.09Å; L210-V218 HydrophobicContact CD1-CG2 4Å
211N72.6Confident69.3Low116 Ų11690.2 Ų90.262%0.6247%0.472SS*.  trans-67.7156170.3-163-10000109.9Q213 E214 Q215N211-Q213 PolarHBondContact O-N 3.39Å; N211-Q213 VanDerWaalsContact O-N 3.08Å; N211-E214 HydrophobicContact CB-CG 4.4Å; N211-E214 VanDerWaalsContact CB-OE2 3.31Å; N211-E214 WeakPolarHBondContact CB-OE2 3.42Å; N211-E214 PolarHBondContact N-OE2 2.93Å; N211-E214 WeakPolarHBondContact O-CB 3.43Å; N211-E214 PolarHBondContact O-N 3.44Å; N211-Q215 PolarHBondContact O-N 2.84Å
212K76.5Confident70.7Confident172 Ų17292.5 Ų92.575%0.74848%0.479SS*.Hα-helixtrans-53-38.4-174.5-73.7-173.7175.8-178.20113.1Q215 E216K212-Q215 PolarHBondContact O-N 3.41Å; K212-E216 PolarHBondContact O-N 2.82Å
213Q75.5Confident72Confident125 Ų12591.2 Ų91.258%0.58447%0.47SS*.Hα-helixtrans-65.5-38.2176.8-173.560.261.400112.9N211 E216 N217N211-Q213 PolarHBondContact O-N 3.39Å; N211-Q213 VanDerWaalsContact O-N 3.08Å; Q213-E216 PolarHBondContact O-N 2.73Å; Q213-N217 PolarHBondContact NE2-OD1 3.1Å; Q213-N217 VanDerWaalsContact NE2-OD1 3.09Å; Q213-N217 PolarHBondContact O-N 2.96Å; Q213-N217 VanDerWaalsContact O-N 3.12Å; Q213-N217 PolarHBondContact O-OD1 3.39Å; Q213-N217 VanDerWaalsContact O-OD1 3.09Å
214E74.1Confident73.1Confident93 Ų9393.6 Ų93.644%0.43548%0.475SS..Hα-helixtrans-72.7-34.1-179.5-61.2172.4126.800110.9L210 N211 N217 V218L210-E214 HydrophobicContact CB-CB 4.04Å; L210-E214 HydrophobicContact CD2-CB 4.11Å; L210-E214 HydrophobicContact CG-CB 4.45Å; N211-E214 HydrophobicContact CB-CG 4.4Å; N211-E214 VanDerWaalsContact CB-OE2 3.31Å; N211-E214 WeakPolarHBondContact CB-OE2 3.42Å; N211-E214 PolarHBondContact N-OE2 2.93Å; N211-E214 WeakPolarHBondContact O-CB 3.43Å; N211-E214 PolarHBondContact O-N 3.44Å; E214-N217 PolarHBondContact O-N 3.01Å; E214-V218 WeakPolarHBondContact O-CB 3.32Å; E214-V218 WeakPolarHBondContact O-CG2 3.44Å; E214-V218 PolarHBondContact O-N 2.96Å
215Q69.9Low74Confident29 Ų2995.4 Ų95.414%0.13648%0.484CS..Hα-helixtrans-60.2-46.8170.2-67-157.4-16.800113L206 D207 L210 N211 K212 N217 V218 K219L206-Q215 PolarHBondContact O-NE2 2.95Å; D207-Q215 VanDerWaalsContact CA-NE2 3.35Å; D207-Q215 PolarHBondContact OD1-NE2 3.23Å; L210-Q215 HydrophobicContact CB-CG 4.09Å; N211-Q215 PolarHBondContact O-N 2.84Å; K212-Q215 PolarHBondContact O-N 3.41Å; Q215-N217 VanDerWaalsContact C-N 3.33Å; Q215-V218 PolarHBondContact O-N 2.75Å; Q215-K219 WeakPolarHBondContact O-CB 3.42Å; Q215-K219 VanDerWaalsContact O-CG 3.22Å; Q215-K219 WeakPolarHBondContact O-CG 3.38Å; Q215-K219 PolarHBondContact O-N 2.96Å
216E78.1Confident75Confident108 Ų10899.4 Ų99.451%0.50549%0.494SS..Hα-helixtrans-60.9-45.1178.4-68.6-59.8103.500110.4K212 Q213 V218 K219 D220K212-E216 PolarHBondContact O-N 2.82Å; Q213-E216 PolarHBondContact O-N 2.73Å; E216-V218 VanDerWaalsContact C-N 3.32Å; E216-V218 PolarHBondContact O-N 3.37Å; E216-K219 PolarHBondContact O-N 2.94Å; E216-K219 WeakPolarHBondContact OE1-CD 3.45Å; E216-K219 IonicContact OE1-NZ 3.59Å; E216-K219 PolarHBondContact OE1-NZ 3.23Å; E216-D220 WeakPolarHBondContact O-CB 3.25Å; E216-D220 PolarHBondContact O-N 3.16Å
217N78.9Confident76Confident94 Ų94100.5 Ų100.550%0.50350%0.503SS..Hα-helixtrans-59-40.2175.3-62.3-2.9000112.3Q213 E214 Q215 A221Q213-N217 PolarHBondContact NE2-OD1 3.1Å; Q213-N217 VanDerWaalsContact NE2-OD1 3.09Å; Q213-N217 PolarHBondContact O-N 2.96Å; Q213-N217 VanDerWaalsContact O-N 3.12Å; Q213-N217 PolarHBondContact O-OD1 3.39Å; Q213-N217 VanDerWaalsContact O-OD1 3.09Å; E214-N217 PolarHBondContact O-N 3.01Å; Q215-N217 VanDerWaalsContact C-N 3.33Å; N217-A221 VanDerWaalsContact O-CB 3.3Å; N217-A221 WeakPolarHBondContact O-CB 3.19Å; N217-A221 PolarHBondContact O-N 3Å
218V79.4Confident76.9Confident52 Ų52100.4 Ų100.432%0.31550%0.502SS..Hα-helixtrans-71.4-39.9177168.10000111.9L206 L210 E214 Q215 E216 A221 L222L206-V218 HydrophobicContact CD1-CG1 4.49Å; L210-V218 HydrophobicContact CD1-CG2 4Å; E214-V218 WeakPolarHBondContact O-CB 3.32Å; E214-V218 WeakPolarHBondContact O-CG2 3.44Å; E214-V218 PolarHBondContact O-N 2.96Å; Q215-V218 PolarHBondContact O-N 2.75Å; E216-V218 VanDerWaalsContact C-N 3.32Å; E216-V218 PolarHBondContact O-N 3.37Å; V218-A221 PolarHBondContact O-N 3.12Å; V218-L222 HydrophobicContact CG1-CD1 3.92Å; V218-L222 HydrophobicContact CG1-CG 4.44Å; V218-L222 WeakPolarHBondContact O-CB 3.35Å; V218-L222 VanDerWaalsContact O-CG 3.25Å; V218-L222 WeakPolarHBondContact O-CG 3.4Å; V218-L222 PolarHBondContact O-N 2.79Å
219K83.1Confident77.4Confident103 Ų10394.7 Ų94.745%0.44849%0.485SS..Hα-helixtrans-63.3-44.1176-71.2163.1-163.9161.90111.1Q215 E216 L222 S223Q215-K219 WeakPolarHBondContact O-CB 3.42Å; Q215-K219 VanDerWaalsContact O-CG 3.22Å; Q215-K219 WeakPolarHBondContact O-CG 3.38Å; Q215-K219 PolarHBondContact O-N 2.96Å; E216-K219 PolarHBondContact O-N 2.94Å; E216-K219 WeakPolarHBondContact OE1-CD 3.45Å; E216-K219 IonicContact OE1-NZ 3.59Å; E216-K219 PolarHBondContact OE1-NZ 3.23Å; K219-L222 PolarHBondContact O-N 3.33Å; K219-S223 WeakPolarHBondContact O-CB 3.36Å; K219-S223 PolarHBondContact O-N 3.13Å
220D85.6Confident78.2Confident86 Ų8693.2 Ų93.246%0.4648%0.475SS..Hα-helixtrans-65.2-47.4175.9-175.358.7000111.6E216 L222 S223 Q224E216-D220 WeakPolarHBondContact O-CB 3.25Å; E216-D220 PolarHBondContact O-N 3.16Å; D220-L222 VanDerWaalsContact C-N 3.29Å; D220-L222 PolarHBondContact O-N 3.02Å; D220-S223 CarbonylContact O-C 3.56Å; D220-S223 WeakPolarHBondContact O-CA 3.28Å; D220-S223 VanDerWaalsContact O-CB 3.28Å; D220-S223 WeakPolarHBondContact O-CB 3.4Å; D220-S223 PolarHBondContact O-N 2.7Å; D220-Q224 WeakPolarHBondContact O-CG 3.28Å; D220-Q224 PolarHBondContact O-N 3.5Å; D220-Q224 PolarHBondContact OD2-NE2 2.85Å
221A80.3Confident79Confident45 Ų4595.8 Ų95.837%0.37249%0.486SS..Hα-helixtrans-57.7-39.4175.600000112.8N217 V218 L225N217-A221 VanDerWaalsContact O-CB 3.3Å; N217-A221 WeakPolarHBondContact O-CB 3.19Å; N217-A221 PolarHBondContact O-N 3Å; V218-A221 PolarHBondContact O-N 3.12Å; A221-L225 WeakPolarHBondContact O-CB 3.11Å; A221-L225 VanDerWaalsContact O-CG 3.25Å; A221-L225 WeakPolarHBondContact O-CG 3.39Å; A221-L225 PolarHBondContact O-N 2.95Å
222L82Confident79.3Confident105 Ų10595.8 Ų95.855%0.5548%0.48SS..Hα-helixtrans-68.3-33.3173.5-72.8170.5000112.7V218 K219 D220 R226V218-L222 HydrophobicContact CG1-CD1 3.92Å; V218-L222 HydrophobicContact CG1-CG 4.44Å; V218-L222 WeakPolarHBondContact O-CB 3.35Å; V218-L222 VanDerWaalsContact O-CG 3.25Å; V218-L222 WeakPolarHBondContact O-CG 3.4Å; V218-L222 PolarHBondContact O-N 2.79Å; K219-L222 PolarHBondContact O-N 3.33Å; D220-L222 VanDerWaalsContact C-N 3.29Å; D220-L222 PolarHBondContact O-N 3.02Å; L222-R226 PolarHBondContact O-N 3.38Å
223S83.7Confident79.1Confident66 Ų6693.3 Ų93.346%0.46247%0.469SS..Hα-helixtrans-67.2-49.1173.7-165.50000111.4K219 D220 L225 R226 V227K219-S223 WeakPolarHBondContact O-CB 3.36Å; K219-S223 PolarHBondContact O-N 3.13Å; D220-S223 CarbonylContact O-C 3.56Å; D220-S223 WeakPolarHBondContact O-CA 3.28Å; D220-S223 VanDerWaalsContact O-CB 3.28Å; D220-S223 WeakPolarHBondContact O-CB 3.4Å; D220-S223 PolarHBondContact O-N 2.7Å; S223-L225 VanDerWaalsContact C-N 3.34Å; S223-L225 PolarHBondContact O-N 3.48Å; S223-R226 WeakPolarHBondContact O-CB 3.26Å; S223-R226 PolarHBondContact O-N 2.92Å; S223-R226 VanDerWaalsContact O-N 3.1Å; S223-V227 PolarHBondContact O-N 2.8Å
224Q84.2Confident78.6Confident108 Ų10892.7 Ų92.751%0.50547%0.47SS..Hα-helixtrans-57.6-45.6174-65.5-174.433.600111.4D220 R226 V227 I228D220-Q224 WeakPolarHBondContact O-CG 3.28Å; D220-Q224 PolarHBondContact O-N 3.5Å; D220-Q224 PolarHBondContact OD2-NE2 2.85Å; Q224-R226 VanDerWaalsContact C-N 3.31Å; Q224-R226 PolarHBondContact O-N 2.99Å; Q224-V227 PolarHBondContact O-N 3.39Å; Q224-I228 VanDerWaalsContact O-CG1 3.3Å; Q224-I228 WeakPolarHBondContact O-CG1 3.46Å; Q224-I228 PolarHBondContact O-N 2.84Å
225L81.1Confident78.4Confident111 Ų11190.4 Ų90.458%0.58147%0.471SS*.Hα-helixtrans-62.1-34.9176.1-77170.5000112.8A221 S223 A229A221-L225 WeakPolarHBondContact O-CB 3.11Å; A221-L225 VanDerWaalsContact O-CG 3.25Å; A221-L225 WeakPolarHBondContact O-CG 3.39Å; A221-L225 PolarHBondContact O-N 2.95Å; S223-L225 VanDerWaalsContact C-N 3.34Å; S223-L225 PolarHBondContact O-N 3.48Å; L225-A229 WeakPolarHBondContact O-CB 3.42Å; L225-A229 PolarHBondContact O-N 3.1Å
226R83.7Confident78.5Confident169 Ų16992.7 Ų92.764%0.63849%0.487SS*.Hα-helixtrans-63.5-51.7171.6177.2-176.8-68.3-164.50.5111.1L222 S223 Q224 I228 A229 E230L222-R226 PolarHBondContact O-N 3.38Å; S223-R226 WeakPolarHBondContact O-CB 3.26Å; S223-R226 PolarHBondContact O-N 2.92Å; S223-R226 VanDerWaalsContact O-N 3.1Å; Q224-R226 VanDerWaalsContact C-N 3.31Å; Q224-R226 PolarHBondContact O-N 2.99Å; R226-I228 VanDerWaalsContact C-N 3.31Å; R226-I228 PolarHBondContact O-N 2.75Å; R226-A229 PolarHBondContact O-N 2.96Å; R226-A229 VanDerWaalsContact O-N 3.1Å; R226-E230 VanDerWaalsContact CD-OE1 3.28Å; R226-E230 WeakPolarHBondContact CD-OE1 3.29Å; R226-E230 HydrophobicContact CG-CG 4.27Å; R226-E230 WeakPolarHBondContact CG-OE1 3.49Å; R226-E230 WeakPolarHBondContact O-CG 3.43Å; R226-E230 PolarHBondContact O-N 3.06Å
227V82.2Confident78Confident90 Ų9090.7 Ų90.755%0.54548%0.482SS..Hα-helixtrans-58.8-44.4-178.5174.90000110.9S223 Q224 E230 E231S223-V227 PolarHBondContact O-N 2.8Å; Q224-V227 PolarHBondContact O-N 3.39Å; V227-E230 PolarHBondContact O-N 3.43Å; V227-E231 WeakPolarHBondContact O-CB 3.3Å; V227-E231 PolarHBondContact O-N 3.37Å
228I80.1Confident77.7Confident83 Ų8389.5 Ų89.543%0.42647%0.473SS..Hα-helixtrans-63.5-43.3175.6-65.2164.7000110.9Q224 R226 E230 E231 K232Q224-I228 VanDerWaalsContact O-CG1 3.3Å; Q224-I228 WeakPolarHBondContact O-CG1 3.46Å; Q224-I228 PolarHBondContact O-N 2.84Å; R226-I228 VanDerWaalsContact C-N 3.31Å; R226-I228 PolarHBondContact O-N 2.75Å; I228-E230 PolarHBondContact O-N 2.96Å; I228-E231 PolarHBondContact O-N 3.38Å; I228-K232 HydrophobicContact CG2-CG 4.32Å; I228-K232 WeakPolarHBondContact O-CB 3.35Å; I228-K232 VanDerWaalsContact O-CG 3.29Å; I228-K232 WeakPolarHBondContact O-CG 3.45Å; I228-K232 PolarHBondContact O-N 2.9Å
229A74.2Confident77.7Confident46 Ų4693 Ų9338%0.3848%0.484SS..Hα-helixtrans-63.4-40.9177.800000112.3L225 R226 F233L225-A229 WeakPolarHBondContact O-CB 3.42Å; L225-A229 PolarHBondContact O-N 3.1Å; R226-A229 PolarHBondContact O-N 2.96Å; R226-A229 VanDerWaalsContact O-N 3.1Å; A229-F233 WeakPolarHBondContact O-CB 3.13Å; A229-F233 PolarHBondContact O-N 3.42Å
230E76.9Confident77.2Confident105 Ų10593.8 Ų93.849%0.49149%0.49SS..Hα-helixtrans-67.1-45.7176.8-73174.1-168.500111.5R226 V227 I228 F233 L234R226-E230 VanDerWaalsContact CD-OE1 3.28Å; R226-E230 WeakPolarHBondContact CD-OE1 3.29Å; R226-E230 HydrophobicContact CG-CG 4.27Å; R226-E230 WeakPolarHBondContact CG-OE1 3.49Å; R226-E230 WeakPolarHBondContact O-CG 3.43Å; R226-E230 PolarHBondContact O-N 3.06Å; V227-E230 PolarHBondContact O-N 3.43Å; I228-E230 PolarHBondContact O-N 2.96Å; E230-F233 PolarHBondContact O-N 3.28Å; E230-L234 WeakPolarHBondContact O-CB 3.46Å; E230-L234 VanDerWaalsContact O-CG 3.27Å; E230-L234 WeakPolarHBondContact O-CG 3.39Å; E230-L234 PolarHBondContact O-N 2.86Å
231E76.9Confident76.9Confident106 Ų10695.9 Ų95.950%0.49549%0.494SS..Hα-helixtrans-59.3-48.5175.8-172.1-123.9125.100111.7V227 I228 G235V227-E231 WeakPolarHBondContact O-CB 3.3Å; V227-E231 PolarHBondContact O-N 3.37Å; I228-E231 PolarHBondContact O-N 3.38Å; E231-G235 PolarHBondContact O-N 3.35Å
232K78.7Confident76.6Confident115 Ų115100.8 Ų100.850%0.550%0.503SS..Hα-helixtrans-68.4-36177.1-61.2-47.7-179.5-113.90112.1I228 G235 T236I228-K232 HydrophobicContact CG2-CG 4.32Å; I228-K232 WeakPolarHBondContact O-CB 3.35Å; I228-K232 VanDerWaalsContact O-CG 3.29Å; I228-K232 WeakPolarHBondContact O-CG 3.45Å; I228-K232 PolarHBondContact O-N 2.9Å; K232-G235 PolarHBondContact O-N 3.37Å; K232-T236 WeakPolarHBondContact O-CG2 3.27Å; K232-T236 PolarHBondContact O-N 3.18Å; K232-T236 PolarHBondContact O-OG1 3.03Å
233F72.6Confident76.3Confident120 Ų120100 Ų10053%0.52650%0.497SS..Hα-helixtrans-66-49176.7-170.1-103.2000111.3A229 E230 G235 T236 V237A229-F233 WeakPolarHBondContact O-CB 3.13Å; A229-F233 PolarHBondContact O-N 3.42Å; E230-F233 PolarHBondContact O-N 3.28Å; F233-G235 VanDerWaalsContact C-N 3.3Å; F233-G235 PolarHBondContact O-N 3.39Å; F233-T236 PolarHBondContact O-N 3.43Å; F233-T236 PolarHBondContact O-OG1 3.31Å; F233-V237 HydrophobicContact CD1-CG2 3.95Å; F233-V237 HydrophobicContact CE1-CG2 3.65Å; F233-V237 HydrophobicContact CZ-CG2 3.96Å; F233-V237 WeakPolarHBondContact O-CG2 3.34Å; F233-V237 PolarHBondContact O-N 2.96Å
234L64.7Low75.7Confident113 Ų113101.7 Ų101.759%0.59250%0.501SS*.Hα-helixtrans-55.4-44.9173.3-73.2167.1000111.4E230 T236 V237 E238E230-L234 WeakPolarHBondContact O-CB 3.46Å; E230-L234 VanDerWaalsContact O-CG 3.27Å; E230-L234 WeakPolarHBondContact O-CG 3.39Å; E230-L234 PolarHBondContact O-N 2.86Å; L234-T236 PolarHBondContact O-N 3.03Å; L234-V237 PolarHBondContact O-N 2.85Å; L234-E238 WeakPolarHBondContact O-CB 3.32Å; L234-E238 PolarHBondContact O-N 3.21Å
235G70.3Confident75.3Confident44 Ų44102 Ų10245%0.45450%0.502SS..Hα-helixtrans-57.8-42.1173.800000113.5E231 K232 F233 K239E231-G235 PolarHBondContact O-N 3.35Å; K232-G235 PolarHBondContact O-N 3.37Å; F233-G235 VanDerWaalsContact C-N 3.3Å; F233-G235 PolarHBondContact O-N 3.39Å; G235-K239 WeakPolarHBondContact O-CB 3.33Å; G235-K239 PolarHBondContact O-N 3.03Å
236T71.4Confident75Confident77 Ų77103.4 Ų103.447%0.47250%0.504SS..Hα-helixtrans-70.2-39.2175.256.80000113.4K232 F233 L234 K239 Q240K232-T236 WeakPolarHBondContact O-CG2 3.27Å; K232-T236 PolarHBondContact O-N 3.18Å; K232-T236 PolarHBondContact O-OG1 3.03Å; F233-T236 PolarHBondContact O-N 3.43Å; F233-T236 PolarHBondContact O-OG1 3.31Å; L234-T236 PolarHBondContact O-N 3.03Å; T236-K239 PolarHBondContact O-N 3.04Å; T236-Q240 WeakPolarHBondContact O-CB 3.4Å; T236-Q240 PolarHBondContact O-N 3.36Å
237V69.2Low74.2Confident67 Ų6798.7 Ų98.741%0.40649%0.493SS..Hα-helixtrans-65.5-46.1178.1170.70000110.6F233 L234 Q240 K241F233-V237 HydrophobicContact CD1-CG2 3.95Å; F233-V237 HydrophobicContact CE1-CG2 3.65Å; F233-V237 HydrophobicContact CZ-CG2 3.96Å; F233-V237 WeakPolarHBondContact O-CG2 3.34Å; F233-V237 PolarHBondContact O-N 2.96Å; L234-V237 PolarHBondContact O-N 2.85Å; V237-Q240 PolarHBondContact O-N 2.86Å; V237-K241 VanDerWaalsContact O-CB 3.22Å; V237-K241 WeakPolarHBondContact O-CB 3.22Å; V237-K241 PolarHBondContact O-N 3.39Å
238E72.6Confident73.1Confident69 Ų6997.5 Ų97.532%0.32249%0.489SS..Hα-helixtrans-64.4-38.8175.2-91-66.5135.100112.4L234 K241 R242L234-E238 WeakPolarHBondContact O-CB 3.32Å; L234-E238 PolarHBondContact O-N 3.21Å; E238-K241 VanDerWaalsContact OE1-CD 3.28Å; E238-K241 WeakPolarHBondContact OE1-CD 3.26Å; E238-K241 WeakPolarHBondContact OE1-CE 3.48Å; E238-K241 IonicContact OE1-NZ 3.45Å; E238-K241 PolarHBondContact OE1-NZ 3.46Å; E238-R242 VanDerWaalsContact O-CG 3.24Å; E238-R242 WeakPolarHBondContact O-CG 2.86Å; E238-R242 PolarHBondContact O-N 3.19Å; E238-R242 IonicContact OE2-CZ 3.42Å; E238-R242 IonicContact OE2-NE 2.65Å; E238-R242 PolarHBondContact OE2-NE 3.42Å; E238-R242 IonicContact OE2-NH2 3.31Å; E238-R242 PolarHBondContact OE2-NH2 3.12Å
239K78.8Confident72Confident124 Ų124101.5 Ų101.554%0.53950%0.499SS..Hα-helixtrans-59.9-50.1172.1-178.9-176.5168.4-174.60111.2G235 T236 K241 R242 E243G235-K239 WeakPolarHBondContact O-CB 3.33Å; G235-K239 PolarHBondContact O-N 3.03Å; T236-K239 PolarHBondContact O-N 3.04Å; K239-K241 VanDerWaalsContact C-N 3.34Å; K239-K241 PolarHBondContact O-N 3.05Å; K239-R242 WeakPolarHBondContact O-CB 3.24Å; K239-R242 PolarHBondContact O-N 2.89Å; K239-E243 WeakPolarHBondContact CE-OE1 3.43Å; K239-E243 IonicContact NZ-OE1 2.68Å; K239-E243 PolarHBondContact O-N 3.27Å
240Q72.1Confident71.2Confident121 Ų121108.2 Ų108.257%0.56551%0.514SS*.Hα-helixtrans-69.4-32.3-176.3-166.5163.41.400112.2T236 V237 E243 N244T236-Q240 WeakPolarHBondContact O-CB 3.4Å; T236-Q240 PolarHBondContact O-N 3.36Å; V237-Q240 PolarHBondContact O-N 2.86Å; Q240-E243 PolarHBondContact O-N 2.92Å; Q240-N244 WeakPolarHBondContact O-CB 3.45Å; Q240-N244 PolarHBondContact O-N 2.84Å
241K80.1Confident70Confident129 Ų129111.2 Ų111.256%0.56153%0.526SS*.Hα-helixtrans-61-44.3169.1179.9-179.7169.4-169.60112V237 E238 K239 N244 Q245V237-K241 VanDerWaalsContact O-CB 3.22Å; V237-K241 WeakPolarHBondContact O-CB 3.22Å; V237-K241 PolarHBondContact O-N 3.39Å; E238-K241 VanDerWaalsContact OE1-CD 3.28Å; E238-K241 WeakPolarHBondContact OE1-CD 3.26Å; E238-K241 WeakPolarHBondContact OE1-CE 3.48Å; E238-K241 IonicContact OE1-NZ 3.45Å; E238-K241 PolarHBondContact OE1-NZ 3.46Å; K239-K241 VanDerWaalsContact C-N 3.34Å; K239-K241 PolarHBondContact O-N 3.05Å; K241-N244 PolarHBondContact O-N 3.03Å; K241-Q245 WeakPolarHBondContact O-CB 3.41Å; K241-Q245 PolarHBondContact O-N 3.4Å
242R74.2Confident68.8Low148 Ų148112.3 Ų112.356%0.55853%0.534SS*.Hα-helixtrans-65.6-36.8174.1-67167-158.9-169.35.1112.3E238 K239 K246E238-R242 VanDerWaalsContact O-CG 3.24Å; E238-R242 WeakPolarHBondContact O-CG 2.86Å; E238-R242 PolarHBondContact O-N 3.19Å; E238-R242 IonicContact OE2-CZ 3.42Å; E238-R242 IonicContact OE2-NE 2.65Å; E238-R242 PolarHBondContact OE2-NE 3.42Å; E238-R242 IonicContact OE2-NH2 3.31Å; E238-R242 PolarHBondContact OE2-NH2 3.12Å; K239-R242 WeakPolarHBondContact O-CB 3.24Å; K239-R242 PolarHBondContact O-N 2.89Å; R242-K246 WeakPolarHBondContact O-CG 3.42Å; R242-K246 PolarHBondContact O-N 2.98Å
243E75.8Confident67Low88 Ų88113.4 Ų113.441%0.41154%0.544SS..Hα-helixtrans-68.9-45.8175.8-73.8174.6177.900111.6K239 Q240 Q245 K246 V247K239-E243 WeakPolarHBondContact CE-OE1 3.43Å; K239-E243 IonicContact NZ-OE1 2.68Å; K239-E243 PolarHBondContact O-N 3.27Å; Q240-E243 PolarHBondContact O-N 2.92Å; E243-Q245 VanDerWaalsContact C-N 3.3Å; E243-Q245 PolarHBondContact O-N 3.13Å; E243-K246 WeakPolarHBondContact O-CB 3.45Å; E243-K246 PolarHBondContact O-N 3.36Å; E243-K246 VanDerWaalsContact O-N 3.13Å; E243-V247 WeakPolarHBondContact O-CG2 3.42Å; E243-V247 PolarHBondContact O-N 3.32Å
244N70.8Confident65.5Low102 Ų102118.1 Ų118.155%0.54556%0.559SS.*Hα-helixtrans-59.5-38.8172.5-75.9-6.5000112.2Q240 K241 V247 S248Q240-N244 WeakPolarHBondContact O-CB 3.45Å; Q240-N244 PolarHBondContact O-N 2.84Å; K241-N244 PolarHBondContact O-N 3.03Å; N244-V247 PolarHBondContact O-N 2.85Å; N244-S248 WeakPolarHBondContact O-CB 3.34Å; N244-S248 PolarHBondContact O-N 2.93Å
245Q75.1Confident64.4Low115 Ų115118.2 Ų118.254%0.53757%0.566SS.*Hα-helixtrans-65.7-38.6175.2-164.8-177.44300112.3K241 E243 R249K241-Q245 WeakPolarHBondContact O-CB 3.41Å; K241-Q245 PolarHBondContact O-N 3.4Å; E243-Q245 VanDerWaalsContact C-N 3.3Å; E243-Q245 PolarHBondContact O-N 3.13Å; Q245-R249 WeakPolarHBondContact O-CG 3.39Å; Q245-R249 PolarHBondContact O-N 3.5Å; Q245-R249 VanDerWaalsContact O-N 3.09Å
246K75.4Confident62.8Low140 Ų140122 Ų12261%0.60959%0.585SS**Hα-helixtrans-64.5-37.7172.3-74.4172.1-179.9-179.40112.2R242 E243 R250R242-K246 WeakPolarHBondContact O-CG 3.42Å; R242-K246 PolarHBondContact O-N 2.98Å; E243-K246 WeakPolarHBondContact O-CB 3.45Å; E243-K246 PolarHBondContact O-N 3.36Å; E243-K246 VanDerWaalsContact O-N 3.13Å; K246-R250 PolarHBondContact O-N 3.47Å
247V66.5Low61.3Low70 Ų70127.9 Ų127.942%0.42461%0.606SS.*Hα-helixtrans-68.6-48.9176.2172.50000110.6E243 N244 R249 R250 F251E243-V247 WeakPolarHBondContact O-CG2 3.42Å; E243-V247 PolarHBondContact O-N 3.32Å; N244-V247 PolarHBondContact O-N 2.85Å; V247-R249 PolarHBondContact O-N 3.27Å; V247-R250 WeakPolarHBondContact O-CA 3.28Å; V247-R250 VanDerWaalsContact O-CB 3.29Å; V247-R250 WeakPolarHBondContact O-CB 3.44Å; V247-R250 PolarHBondContact O-N 2.68Å; V247-F251 HydrophobicContact CG1-CD2 3.86Å; V247-F251 HydrophobicContact CG1-CE2 3.72Å; V247-F251 WeakPolarHBondContact O-CD2 3.48Å; V247-F251 PolarHBondContact O-N 3.36Å; V247-F251 VanDerWaalsContact O-N 3.15Å
248S59Low59.7Low65 Ų65127.9 Ų127.946%0.45562%0.62SS.*Hα-helixtrans-57.4-47.3178.9179.90000112.3N244 R250 F251 I252N244-S248 WeakPolarHBondContact O-CB 3.34Å; N244-S248 PolarHBondContact O-N 2.93Å; S248-R250 PolarHBondContact O-N 3.25Å; S248-R250 VanDerWaalsContact O-N 3.15Å; S248-F251 PolarHBondContact O-N 3.13Å; S248-I252 PolarHBondContact O-N 3.21Å
249R57.8Low57.9Low168 Ų168134.2 Ų134.263%0.63465%0.65SS**Hα-helixtrans-58.7-27.4173.2-73.4-177.4178.4-167.70.6113.6Q245 V247Q245-R249 WeakPolarHBondContact O-CG 3.39Å; Q245-R249 PolarHBondContact O-N 3.5Å; Q245-R249 VanDerWaalsContact O-N 3.09Å; V247-R249 PolarHBondContact O-N 3.27Å
250R56.2Low55.9Low187 Ų187132.8 Ų132.871%0.70666%0.661SS**Hα-helixtrans-80.3-23.4178.1-159.2-175.9-63.8-177.2-2.2113K246 V247 S248K246-R250 PolarHBondContact O-N 3.47Å; V247-R250 WeakPolarHBondContact O-CA 3.28Å; V247-R250 VanDerWaalsContact O-CB 3.29Å; V247-R250 WeakPolarHBondContact O-CB 3.44Å; V247-R250 PolarHBondContact O-N 2.68Å; S248-R250 PolarHBondContact O-N 3.25Å; S248-R250 VanDerWaalsContact O-N 3.15Å
251F51.1Low54.2Low167 Ų167139.1 Ų139.173%0.73268%0.679SS**Hα-helixtrans-82-31.6173.2-85.3-80.6000113V247 S248 L253V247-F251 HydrophobicContact CG1-CD2 3.86Å; V247-F251 HydrophobicContact CG1-CE2 3.72Å; V247-F251 WeakPolarHBondContact O-CD2 3.48Å; V247-F251 PolarHBondContact O-N 3.36Å; V247-F251 VanDerWaalsContact O-N 3.15Å; S248-F251 PolarHBondContact O-N 3.13Å; F251-L253 VanDerWaalsContact C-N 3.28Å; F251-L253 PolarHBondContact O-N 3.06Å
252I53.1Low52.3Low130 Ų130139.2 Ų139.267%0.66769%0.691SS**Hα-helixtrans-74-18.5-179.8-64.5167.1000112.4S248S248-I252 PolarHBondContact O-N 3.21Å
253L40.8Very low50.5Low137 Ų137138.1 Ų138.172%0.71771%0.706SS**THydrogen-bonded Turntrans-119.352.9-172.5-67.1173.4000113.9F251F251-L253 VanDerWaalsContact C-N 3.28Å; F251-L253 PolarHBondContact O-N 3.06Å
254R40.9Very low48.6Very low219 Ų219137.2 Ų137.283%0.82672%0.72SS**  trans-114.697.8158.2-83.3-167.5171.3-163.7-1.9110.8C256R254-C256 PolarHBondContact O-N 2.95Å
255P40.7Very low47.2Very low115 Ų115140.8 Ų140.875%0.74773%0.731SS**  trans-65.8126.7165.5-15.830.5000109.9H257P255-H257 VanDerWaalsContact C-N 3.32Å; P255-H257 PolarHBondContact O-N 3.04Å
256C37Very low45.2Very low125 Ų125141.8 Ų141.885%0.84575%0.749SS**  trans-77.477.3178.5-63.60000111.8R254 G258R254-C256 PolarHBondContact O-N 2.95Å; C256-G258 PolarHBondContact O-N 2.86Å
257H39.9Very low43.8Very low199 Ų199145 Ų14592%0.92176%0.759SS**  trans-83.193.5158.6-88.2-32.4000109.3P255P255-H257 VanDerWaalsContact C-N 3.32Å; P255-H257 PolarHBondContact O-N 3.04Å
258G36.6Very low42.7Very low68 Ų68144.9 Ų144.970%0.70177%0.772SS**SBendtrans177.8129178.600000111.1C256C256-G258 PolarHBondContact O-N 2.86Å
259Q33.5Very low42Very low202 Ų202151.5 Ų151.594%0.94479%0.793SS**  trans-70.1138.7-173.9-60162.1-8.900112.5
260A37.2Very low41.5Very low93 Ų93148.3 Ų148.377%0.76979%0.794SS**  trans-159.7114.114700000110.2
261R35.5Very low40.6Very low254 Ų254142.5 Ų142.596%0.95879%0.792SS**  trans-96.792.3170.3-79.6-178.4171179.7-2.6109.9
262T40.8Very low40.4Very low132 Ų132140.2 Ų140.281%0.8179%0.792SS**  trans-155.6143.4157.335.70000111.1
263S36.8Very low40.3Very low125 Ų125145 Ų14587%0.87480%0.802SS**  trans-32.2128.8172.650.60000117
264G36.1Very low40.6Very low68 Ų68145.1 Ų145.170%0.70180%0.803SS**SBendtrans143.985.315700000117.3
265K40.4Very low40.9Very low178 Ų178138.8 Ų138.877%0.77478%0.783SS**  trans46.871.3158-62.1-179.6179176.90116.8Y267K265-Y267 HydrophobicContact CB-CE2 4.22Å; K265-Y267 PolarHBondContact O-N 3.35Å
266C33.6Very low41Very low135 Ų135140.7 Ų140.791%0.91278%0.782SS**  trans-66.9109.9159-600000109.7
267Y46.9Very low41.5Very low207 Ų207138.4 Ų138.481%0.81277%0.772SS**PPolyproline II helixtrans-70.5129.7171.8-79.3-95.3000110.1K265K265-Y267 HydrophobicContact CB-CE2 4.22Å; K265-Y267 PolarHBondContact O-N 3.35Å
268G42.4Very low41.8Very low69 Ų69137.9 Ų137.971%0.71176%0.762SS**PPolyproline II helixtrans-71167.8-17500000114
269K44.3Very low42.2Very low204 Ų204140.3 Ų140.389%0.88776%0.757SS**PPolyproline II helixtrans-55.3134174.1-60.6173.9-179.1175.90110.1G271K269-G271 PolarHBondContact O-N 3.21Å
270P48Very low42.6Very low100 Ų100137.1 Ų137.165%0.64974%0.743SS**  trans-73.374.5172.730.8-34.8000110.6T272 E275P270-T272 VanDerWaalsContact C-N 3.33Å; P270-T272 PolarHBondContact O-N 3.06Å; P270-E275 HydrophobicContact CB-CB 4.27Å; P270-E275 HydrophobicContact CB-CG 4.35Å
271G37.2Very low42.6Very low66 Ų66139.7 Ų139.768%0.6874%0.736SS**  trans-86.261.9176.900000112.3K269K269-G271 PolarHBondContact O-N 3.21Å
272T45.9Very low43.2Very low118 Ų118133.5 Ų133.572%0.72473%0.727SS**SBendtrans-169.3155.3162.88.60000111.7P270 N274P270-T272 VanDerWaalsContact C-N 3.33Å; P270-T272 PolarHBondContact O-N 3.06Å; T272-N274 PolarHBondContact O-N 3.15Å
273R51.2Low43.5Very low232 Ų232134.5 Ų134.588%0.87573%0.725SS**THydrogen-bonded Turntrans-73.616.1-168.3-145.9177.5-169.3171.61.7115.8
274N48.8Very low43.9Very low139 Ų139138.3 Ų138.374%0.74372%0.721SS**THydrogen-bonded Turntrans-118.6-13.2-169.8-75.3-13000114.8T272T272-N274 PolarHBondContact O-N 3.15Å
275E45.7Very low43.8Very low85 Ų85138.5 Ų138.540%0.39772%0.723SS.*SBendtrans-75.8-24.1-176.4-150.677.8-121.600112.9P270 A277 R278P270-E275 HydrophobicContact CB-CB 4.27Å; P270-E275 HydrophobicContact CB-CG 4.35Å; E275-A277 PolarHBondContact O-N 3.15Å; E275-R278 PolarHBondContact O-N 2.93Å; E275-R278 WeakPolarHBondContact OE1-CD 3.29Å; E275-R278 IonicContact OE1-NH1 2.9Å; E275-R278 PolarHBondContact OE1-NH1 3.09Å
276E42.8Very low43.7Very low155 Ų155132.2 Ų132.272%0.72471%0.709SS**Hα-helixtrans-59.6-33.3-179.6-64.9-175.1121.400112.4R278 I279 E280E276-R278 PolarHBondContact O-N 3.41Å; E276-I279 PolarHBondContact O-N 3.18Å; E276-I279 VanDerWaalsContact O-N 3.13Å; E276-E280 PolarHBondContact O-N 3.45Å
277A47.4Very low43.9Very low77 Ų77136.5 Ų136.564%0.63671%0.707SS**Hα-helixtrans-63.4-21.7177.500000114E275E275-A277 PolarHBondContact O-N 3.15Å
278R46.5Very low43.8Very low188 Ų188135.1 Ų135.171%0.70971%0.708SS**Hα-helixtrans-81.6-27.6175.3-91.4177.9159.9172.5-5113.4E275 E276E275-R278 PolarHBondContact O-N 2.93Å; E275-R278 WeakPolarHBondContact OE1-CD 3.29Å; E275-R278 IonicContact OE1-NH1 2.9Å; E275-R278 PolarHBondContact OE1-NH1 3.09Å; E276-R278 PolarHBondContact O-N 3.41Å
279I46.3Very low43.8Very low119 Ų119137.1 Ų137.161%0.6171%0.709SS**Hα-helixtrans-84-33.6-175.2-57.6179.6000110.8E276 F281E276-I279 PolarHBondContact O-N 3.18Å; E276-I279 VanDerWaalsContact O-N 3.13Å; I279-F281 PolarHBondContact O-N 3.23Å
280E42.1Very low43.7Very low136 Ų136134.9 Ų134.964%0.63671%0.705SS**G310 helixtrans-61.6-25.3172.1-75.6-144.1137.600113.8E276 V282 I283E276-E280 PolarHBondContact O-N 3.45Å; E280-V282 PolarHBondContact O-N 2.9Å; E280-I283 VanDerWaalsContact O-CA 3.26Å; E280-I283 WeakPolarHBondContact O-CA 3.4Å; E280-I283 PolarHBondContact O-N 3.45Å
281F36.9Very low43.4Very low146 Ų146134.5 Ų134.564%0.6471%0.71SS**G310 helixtrans-69.1-32.9-173.6-152.1-94.3000113.1I279 I283 R284I279-F281 PolarHBondContact O-N 3.23Å; F281-I283 PolarHBondContact O-N 2.94Å; F281-R284 PolarHBondContact O-N 3.42Å
282V46.9Very low43.8Very low124 Ų124142.8 Ų142.875%0.75272%0.72SS**G310 helixtrans-69.9-21.6172.1-171.80000111.2E280 R284E280-V282 PolarHBondContact O-N 2.9Å; V282-R284 PolarHBondContact O-N 3.36Å
283I47.9Very low43.7Very low153 Ų153144 Ų14479%0.78573%0.728SS**G310 helixtrans-54.5-26171.922.4164.3000114.9E280 F281E280-I283 VanDerWaalsContact O-CA 3.26Å; E280-I283 WeakPolarHBondContact O-CA 3.4Å; E280-I283 PolarHBondContact O-N 3.45Å; F281-I283 PolarHBondContact O-N 2.94Å
284R45.5Very low43.3Very low205 Ų205136.2 Ų136.277%0.77472%0.72SS**G310 helixtrans-132.214.5-146-126.1171.7-178.5162.1-1.1116.8F281 V282 G286F281-R284 PolarHBondContact O-N 3.42Å; V282-R284 PolarHBondContact O-N 3.36Å; R284-G286 VanDerWaalsContact C-N 3.33Å; R284-G286 PolarHBondContact O-N 3.22Å
285G33.7Very low43.2Very low73 Ų73139.1 Ų139.175%0.75373%0.726SS**THydrogen-bonded Turntrans6825.5169.700000115.5
286G37.6Very low42.9Very low46 Ų46144.6 Ų144.647%0.47475%0.751SS.*PPolyproline II helixtrans-69.5133.917800000112.9R284R284-G286 VanDerWaalsContact C-N 3.33Å; R284-G286 PolarHBondContact O-N 3.22Å
287Y37.5Very low42.9Very low224 Ų224140.4 Ų140.488%0.87875%0.749SS**PPolyproline II helixtrans-61.1143.1176-94.2-120.9000112.4P289Y287-P289 WeakPolarHBondContact O-CD 3.43Å
288H44.5Very low42.8Very low178 Ų178145.7 Ų145.782%0.82478%0.782SS**PPolyproline II helixtrans-74.7121.9167.6-107.1-79.4000111
289P44Very low42.6Very low112 Ų112143.6 Ų143.673%0.72779%0.785SS**PPolyproline II helixtrans-74136.7154.231-31.2000109.4Y287 A291Y287-P289 WeakPolarHBondContact O-CD 3.43Å; P289-A291 PolarHBondContact O-N 2.95Å
290I41.4Very low42.4Very low157 Ų157144.8 Ų144.881%0.80579%0.794SS**PPolyproline II helixtrans-71.1124.7-177.6-64167.1000110R292I290-R292 PolarHBondContact O-N 3.38Å
291A42.6Very low42.4Very low92 Ų92145.3 Ų145.376%0.7680%0.803SS**  trans-71.397173.200000110.6P289 T293P289-A291 PolarHBondContact O-N 2.95Å; A291-T293 PolarHBondContact O-N 3.03Å
292R44.4Very low42.7Very low239 Ų239145.3 Ų145.390%0.90281%0.813SS**  trans-69.5106.9170.7-77.9-176.8169.2-178.2-3.4110.1I290 G294I290-R292 PolarHBondContact O-N 3.38Å; R292-G294 PolarHBondContact O-N 2.8Å
293T45Very low42.5Very low144 Ų144146.6 Ų146.688%0.88382%0.817SS**  trans-69.593.7168.648.40000110.2A291A291-T293 PolarHBondContact O-N 3.03Å
294G42.9Very low42.1Very low68 Ų68146.2 Ų146.270%0.70182%0.819SS**  trans-89.7108.4-178.900000113.3R292R292-G294 PolarHBondContact O-N 2.8Å
295K45.4Very low41.9Very low201 Ų201142 Ų14287%0.87482%0.822SS**  trans41.5108.4154-59.7-174.8177.6-173.20118.5
296H38.8Very low42.5Very low199 Ų199147.3 Ų147.392%0.92183%0.827SS**  -72.8146.7128.1-96.1-83.4000108.5
297G44.3Very low42.9Very low67 Ų67155.8 Ų155.869%0.69186%0.857SS**  trans171.1111.8178.500000111.6
298S44.3Very low43.4Very low188 Ų188149.5 Ų149.5100%1.31586%0.855SS**  trans63.90-159.4-163.90000114.5

Retrieved 298 of 298 residues in 340.6 ms (Link to these results)