A0A087XFB9_POEFO Loading...

Cyclic AMP-responsive element-binding protein 5

Binds to the cAMP response element and activates transcription.

AlphaFold DB , UniProt , Accession A0A087XFB9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 491 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
1M38.7Very low67.4Low243 Ų243122.6 Ų122.6100%1.19763%0.63SS**  01390-74.8155.9162.200107.2
2N44.1Very low69Low138 Ų138124.8 Ų124.874%0.73864%0.644SS**  trans-80.4141.7-166.4-70.317.9000112.9D4N2-D4 HydrophobicContact CB-CB 4.47Å; N2-D4 VanDerWaalsContact CB-OD2 3.28Å; N2-D4 WeakPolarHBondContact CB-OD2 3.41Å; N2-D4 PolarHBondContact ND2-OD2 3.37Å
3S51Low70.2Confident123 Ų123116.8 Ų116.886%0.8661%0.608SS**  trans-102.135.4169.645.80000112.2Q5S3-Q5 PolarHBondContact O-N 3.08Å
4D54.3Low71.1Confident132 Ų132118.3 Ų118.371%0.70663%0.628SS**  trans-74.416.1178-68.8-52.4000113.9N2N2-D4 HydrophobicContact CB-CB 4.47Å; N2-D4 VanDerWaalsContact CB-OD2 3.28Å; N2-D4 WeakPolarHBondContact CB-OD2 3.41Å; N2-D4 PolarHBondContact ND2-OD2 3.37Å
5Q61.6Low71.8Confident182 Ų182116.6 Ų116.685%0.8565%0.65SS**  trans-128.164.1-166.3-63.8-168.91400113.9S3S3-Q5 PolarHBondContact O-N 3.08Å
6E65.6Low72.7Confident164 Ų164111.1 Ų111.177%0.76662%0.622SS**SBendtrans-148.542.2158.7-143.2167.5-139.600112.8P21E6-P21 WeakPolarHBondContact O-CA 3.4Å
7R77.1Confident73.4Confident148 Ų148110.9 Ų110.956%0.55863%0.629SS**  trans-136.968.1169.8-61.9-166.2-177.9-159.86.8111.9F9 R19 F20 P21R7-F9 VanDerWaalsContact C-N 3.3Å; R7-F9 PolarHBondContact O-N 3.17Å; R7-R19 HydrophobicContact CB-CB 3.89Å; R7-R19 WeakPolarHBondContact CD-O 3.47Å; R7-R19 PolarHBondContact NH1-O 2.69Å; R7-R19 VanDerWaalsContact NH1-O 3.1Å; R7-F20 CarbonylContact C-O 3.56Å; R7-F20 VanDerWaalsContact CA-O 3.27Å; R7-F20 WeakPolarHBondContact CA-O 3.26Å; R7-P21 HydrophobicContact CG-CG 4.15Å
8P83.6Confident74.2Confident89 Ų89110.3 Ų110.358%0.57862%0.621SS**  trans-72.8-23.1-176.529.9-33.7000112.8V10P8-V10 PolarHBondContact O-N 3.33Å
9F86.7Confident75Confident68 Ų68112.4 Ų112.430%0.29862%0.618SS.*EExtended strand (participates in β ladder)trans-83.7115.4-175.7-55.1-75.5000111R7 R19 F20 P21 T22 E23 L26R7-F9 VanDerWaalsContact C-N 3.3Å; R7-F9 PolarHBondContact O-N 3.17Å; F9-R19 CarbonylContact O-C 3.58Å; F9-R19 VanDerWaalsContact O-CA 3.32Å; F9-R19 WeakPolarHBondContact O-CA 3.39Å; F9-F20 HydrophobicContact CB-CB 4.39Å; F9-F20 PolarHBondContact N-O 3.04Å; F9-F20 PolarHBondContact O-N 3.5Å; F9-P21 WeakPolarHBondContact CD2-O 3.17Å; F9-P21 WeakPolarHBondContact CE2-O 3.44Å; F9-T22 VanDerWaalsContact CD2-CA 3.43Å; F9-E23 HydrophobicContact CD1-CB 3.98Å; F9-E23 WeakPolarHBondContact CD1-OE2 3.49Å; F9-E23 HydrophobicContact CE1-CB 3.86Å; F9-E23 HydrophobicContact CG-CB 4.48Å; F9-E23 HydrophobicContact CZ-CB 4.28Å; F9-L26 HydrophobicContact CB-CB 4.14Å; F9-L26 HydrophobicContact CB-CD2 3.87Å
10V88.3Confident75.8Confident53 Ų53108.1 Ų108.132%0.32159%0.593SS.*EExtended strand (participates in β ladder)trans-111.4138.1-175.2-100.90000111.8P8 N12 R19 L26P8-V10 PolarHBondContact O-N 3.33Å; V10-N12 PolarHBondContact O-N 3.5Å; V10-R19 HydrophobicContact CG1-CG 3.68Å; V10-L26 WeakPolarHBondContact O-CD2 3.13Å
11C90.7Very high76.4Confident9 Ų9105.9 Ų105.96%0.06158%0.584CS.*  trans-79.9118.1169.7-168.30000111.3A13 C16 Q18 L26 H29C11-A13 VanDerWaalsContact C-N 3.33Å; C11-A13 PolarHBondContact O-N 2.94Å; C11-C16 HydrophobicContact CB-CB 4.45Å; C11-Q18 PolarHBondContact N-O 3.06Å; C11-L26 HydrophobicContact CB-CD1 3.84Å; C11-H29 VanDerWaalsContact SG-CD2 3.57Å
12N86.1Confident78.8Confident148 Ų14897.1 Ų97.179%0.79154%0.544SS*.  trans-92.318179.9-62.3-16.5000113.3V10V10-N12 PolarHBondContact O-N 3.5Å
13A85Confident80.9Confident22 Ų2294.2 Ų94.218%0.18253%0.526CS..SBendtrans-73.6135.4176.600000110.5C11 G15 C16C11-A13 VanDerWaalsContact C-N 3.33Å; C11-A13 PolarHBondContact O-N 2.94Å; A13-G15 PolarHBondContact O-N 3.49Å; A13-C16 HydrophobicContact CB-CB 4Å; A13-C16 WeakPolarHBondContact O-CB 3.34Å; A13-C16 PolarHBondContact O-N 3.14Å
14P83.2Confident82.7Confident137 Ų13793.3 Ų93.389%0.8951%0.511SS*.THydrogen-bonded Turntrans-55.1124.5179.3-27.235.3000112.4C16P14-C16 VanDerWaalsContact C-N 3.32Å
15G80.8Confident84.5Confident93 Ų9392.2 Ų92.296%0.95950%0.501SS*.THydrogen-bonded Turntrans82.4-0.2-175.900000115.4A13A13-G15 PolarHBondContact O-N 3.49Å
16C87Confident85.9Confident28 Ų2884.4 Ų84.419%0.18947%0.466CS..  trans-103.6141.5172.4-158.40000111.8C11 A13 P14 H29C11-C16 HydrophobicContact CB-CB 4.45Å; A13-C16 HydrophobicContact CB-CB 4Å; A13-C16 WeakPolarHBondContact O-CB 3.34Å; A13-C16 PolarHBondContact O-N 3.14Å; P14-C16 VanDerWaalsContact C-N 3.32Å; C16-H29 PolarHBondContact SG-NE2 3.13Å
17S84.1Confident87Confident108 Ų10881.1 Ų81.176%0.75545%0.451SS*.  trans-132.213.5-18057.90000113.4
18Q88.2Confident87.5Confident101 Ų10179.6 Ų79.647%0.47245%0.453SS..  trans-70143-176.2-64.2-162.110.800112.4C11 F20 H29C11-Q18 PolarHBondContact N-O 3.06Å; Q18-F20 HydrophobicContact CB-CE2 3.77Å; Q18-F20 HydrophobicContact CB-CZ 3.65Å; Q18-H29 VanDerWaalsContact CD-CE1 3.45Å; Q18-H29 PolarHBondContact OE1-CE1 3.17Å; Q18-H29 PolarHBondContact OE1-ND1 2.89Å
19R90Very high87.8Confident149 Ų14976.5 Ų76.556%0.56243%0.431SS*.EExtended strand (participates in β ladder)trans-124141.8178.6-51.8-160.3174.3-143.6-0.6111.2R7 F9 V10R7-R19 HydrophobicContact CB-CB 3.89Å; R7-R19 WeakPolarHBondContact CD-O 3.47Å; R7-R19 PolarHBondContact NH1-O 2.69Å; R7-R19 VanDerWaalsContact NH1-O 3.1Å; F9-R19 CarbonylContact O-C 3.58Å; F9-R19 VanDerWaalsContact O-CA 3.32Å; F9-R19 WeakPolarHBondContact O-CA 3.39Å; V10-R19 HydrophobicContact CG1-CG 3.68Å
20F90.2Very high87.7Confident27 Ų2781.9 Ų81.912%0.11845%0.449CS..EExtended strand (participates in β ladder)trans-127.1147.9-172.1-59.5-77.1000112R7 F9 Q18 H25 L26 H29R7-F20 CarbonylContact C-O 3.56Å; R7-F20 VanDerWaalsContact CA-O 3.27Å; R7-F20 WeakPolarHBondContact CA-O 3.26Å; F9-F20 HydrophobicContact CB-CB 4.39Å; F9-F20 PolarHBondContact N-O 3.04Å; F9-F20 PolarHBondContact O-N 3.5Å; Q18-F20 HydrophobicContact CB-CE2 3.77Å; Q18-F20 HydrophobicContact CB-CZ 3.65Å; F20-H25 HydrophobicContact CB-CB 3.91Å; F20-H25 HydrophobicContact CD1-CB 3.77Å; F20-H25 HydrophobicContact CG-CB 4.02Å; F20-L26 HydrophobicContact CB-CB 4.43Å; F20-L26 HydrophobicContact CD2-CB 3.91Å; F20-L26 HydrophobicContact CD2-CD1 4.01Å; F20-L26 HydrophobicContact CE2-CD1 4.21Å; F20-L26 HydrophobicContact CG-CB 4.41Å; F20-H29 HydrophobicContact CE1-CB 4.27Å; F20-H29 HydrophobicContact CE2-CB 3.82Å; F20-H29 AromaticContact CE2-CD2 3.83Å; F20-H29 AromaticContact CE2-CG 3.68Å; F20-H29 HydrophobicContact CZ-CB 3.59Å; F20-H29 AromaticContact CZ-CD2 3.92Å; F20-H29 AromaticContact CZ-CG 3.38Å; F20-H29 AromaticContact CZ-ND1 3.48Å; F20-H29 WeakPolarHBondContact CZ-ND1 3.4Å
21P89.3Confident87.5Confident62 Ų6284 Ų8440%0.40346%0.456SS..SBendtrans-70.7-27.5175.7-17.931.6000114.1E6 R7 F9E6-P21 WeakPolarHBondContact O-CA 3.4Å; R7-P21 HydrophobicContact CG-CG 4.15Å; F9-P21 WeakPolarHBondContact CD2-O 3.17Å; F9-P21 WeakPolarHBondContact CE2-O 3.44Å
22T87.3Confident87.1Confident58 Ų5890.3 Ų90.336%0.35648%0.482SS..SBendtrans-134.6154-179.567.60000111.8F9 D24 H25 L26F9-T22 VanDerWaalsContact CD2-CA 3.43Å; T22-D24 VanDerWaalsContact C-N 3.32Å; T22-D24 PolarHBondContact O-N 3.44Å; T22-H25 PolarHBondContact O-N 3.39Å; T22-H25 PolarHBondContact OG1-ND1 3.32Å; T22-L26 PolarHBondContact O-N 3.27Å
23E88.8Confident86.9Confident78 Ų7886.6 Ų86.636%0.36446%0.459SS..Hα-helixtrans-60-38.5178.1-174.657.6-127.900112.1F9 H25 L26 M27F9-E23 HydrophobicContact CD1-CB 3.98Å; F9-E23 WeakPolarHBondContact CD1-OE2 3.49Å; F9-E23 HydrophobicContact CE1-CB 3.86Å; F9-E23 HydrophobicContact CG-CB 4.48Å; F9-E23 HydrophobicContact CZ-CB 4.28Å; E23-H25 VanDerWaalsContact C-N 3.27Å; E23-H25 PolarHBondContact O-N 3.41Å; E23-L26 CarbonylContact O-C 3.48Å; E23-L26 WeakPolarHBondContact O-CA 3.37Å; E23-L26 WeakPolarHBondContact O-CB 3.23Å; E23-L26 PolarHBondContact O-N 3.34Å; E23-M27 HydrophobicContact CG-CE 4.28Å; E23-M27 HydrophobicContact CG-CG 4.13Å; E23-M27 HydrophobicContact CG-SD 4.41Å; E23-M27 PolarHBondContact O-N 3.05Å
24D89.6Confident86.4Confident103 Ų10392.3 Ų92.355%0.55148%0.483SS*.Hα-helixtrans-55.2-41.8178.3-63.8-23.1000112.9T22 L26 M27 I28T22-D24 VanDerWaalsContact C-N 3.32Å; T22-D24 PolarHBondContact O-N 3.44Å; D24-L26 VanDerWaalsContact C-N 3.33Å; D24-L26 PolarHBondContact O-N 3.15Å; D24-M27 PolarHBondContact O-N 3.18Å; D24-M27 VanDerWaalsContact OD1-CE 3.32Å; D24-M27 WeakPolarHBondContact OD1-CE 3.22Å; D24-I28 WeakPolarHBondContact O-CB 3.07Å; D24-I28 WeakPolarHBondContact O-CD1 3.42Å; D24-I28 VanDerWaalsContact O-CG1 3.25Å; D24-I28 WeakPolarHBondContact O-CG1 3.36Å; D24-I28 PolarHBondContact O-N 3.28Å
25H91.1Very high85.4Confident109 Ų10992.3 Ų92.351%0.50547%0.472SS..Hα-helixtrans-68-33.7176.2-70.1107.1000112F20 T22 E23 H29F20-H25 HydrophobicContact CB-CB 3.91Å; F20-H25 HydrophobicContact CD1-CB 3.77Å; F20-H25 HydrophobicContact CG-CB 4.02Å; T22-H25 PolarHBondContact O-N 3.39Å; T22-H25 PolarHBondContact OG1-ND1 3.32Å; E23-H25 VanDerWaalsContact C-N 3.27Å; E23-H25 PolarHBondContact O-N 3.41Å; H25-H29 WeakPolarHBondContact O-CB 3.44Å; H25-H29 PolarHBondContact O-N 3.18Å
26L90.8Very high84.6Confident19 Ų1992.2 Ų92.210%0.09945%0.453CS..Hα-helixtrans-68.7-42.4172.2173.558.4000111.6F9 V10 C11 F20 T22 E23 D24 H29 R30F9-L26 HydrophobicContact CB-CB 4.14Å; F9-L26 HydrophobicContact CB-CD2 3.87Å; V10-L26 WeakPolarHBondContact O-CD2 3.13Å; C11-L26 HydrophobicContact CB-CD1 3.84Å; F20-L26 HydrophobicContact CB-CB 4.43Å; F20-L26 HydrophobicContact CD2-CB 3.91Å; F20-L26 HydrophobicContact CD2-CD1 4.01Å; F20-L26 HydrophobicContact CE2-CD1 4.21Å; F20-L26 HydrophobicContact CG-CB 4.41Å; T22-L26 PolarHBondContact O-N 3.27Å; E23-L26 CarbonylContact O-C 3.48Å; E23-L26 WeakPolarHBondContact O-CA 3.37Å; E23-L26 WeakPolarHBondContact O-CB 3.23Å; E23-L26 PolarHBondContact O-N 3.34Å; D24-L26 VanDerWaalsContact C-N 3.33Å; D24-L26 PolarHBondContact O-N 3.15Å; L26-H29 CarbonylContact O-C 3.48Å; L26-H29 PolarHBondContact O-N 3.03Å; L26-R30 VanDerWaalsContact O-CB 3.31Å; L26-R30 WeakPolarHBondContact O-CB 3.45Å; L26-R30 PolarHBondContact O-N 3.26Å
27M88.6Confident82.8Confident95 Ų9596.7 Ų96.747%0.46848%0.475SS..Hα-helixtrans-63-47.7177-69.9-166-70.500111.8E23 D24 H29 R30 H31E23-M27 HydrophobicContact CG-CE 4.28Å; E23-M27 HydrophobicContact CG-CG 4.13Å; E23-M27 HydrophobicContact CG-SD 4.41Å; E23-M27 PolarHBondContact O-N 3.05Å; D24-M27 PolarHBondContact O-N 3.18Å; D24-M27 VanDerWaalsContact OD1-CE 3.32Å; D24-M27 WeakPolarHBondContact OD1-CE 3.22Å; M27-H29 VanDerWaalsContact C-N 3.28Å; M27-H29 PolarHBondContact O-N 2.95Å; M27-R30 PolarHBondContact O-N 3.36Å; M27-H31 PolarHBondContact O-N 2.69Å
28I87.6Confident81.3Confident116 Ų116101.2 Ų101.260%0.59548%0.481SS*.Hα-helixtrans-59.5-41.6174.8-66.6163.5000110.5D24 H31 K32D24-I28 WeakPolarHBondContact O-CB 3.07Å; D24-I28 WeakPolarHBondContact O-CD1 3.42Å; D24-I28 VanDerWaalsContact O-CG1 3.25Å; D24-I28 WeakPolarHBondContact O-CG1 3.36Å; D24-I28 PolarHBondContact O-N 3.28Å; I28-H31 PolarHBondContact O-N 3.01Å; I28-K32 PolarHBondContact O-N 2.95Å
29H89.6Confident79.3Confident23 Ų23104.2 Ų104.211%0.10649%0.492CS..Hα-helixtrans-67.3-39.4176-179.489.6000112.8C11 C16 Q18 F20 H25 L26 M27 H31 K32 H33C11-H29 VanDerWaalsContact SG-CD2 3.57Å; C16-H29 PolarHBondContact SG-NE2 3.13Å; Q18-H29 VanDerWaalsContact CD-CE1 3.45Å; Q18-H29 PolarHBondContact OE1-CE1 3.17Å; Q18-H29 PolarHBondContact OE1-ND1 2.89Å; F20-H29 HydrophobicContact CE1-CB 4.27Å; F20-H29 HydrophobicContact CE2-CB 3.82Å; F20-H29 AromaticContact CE2-CD2 3.83Å; F20-H29 AromaticContact CE2-CG 3.68Å; F20-H29 HydrophobicContact CZ-CB 3.59Å; F20-H29 AromaticContact CZ-CD2 3.92Å; F20-H29 AromaticContact CZ-CG 3.38Å; F20-H29 AromaticContact CZ-ND1 3.48Å; F20-H29 WeakPolarHBondContact CZ-ND1 3.4Å; H25-H29 WeakPolarHBondContact O-CB 3.44Å; H25-H29 PolarHBondContact O-N 3.18Å; L26-H29 CarbonylContact O-C 3.48Å; L26-H29 PolarHBondContact O-N 3.03Å; M27-H29 VanDerWaalsContact C-N 3.28Å; M27-H29 PolarHBondContact O-N 2.95Å; H29-H31 VanDerWaalsContact C-N 3.34Å; H29-H31 PolarHBondContact O-N 3.35Å; H29-K32 WeakPolarHBondContact O-CB 3.25Å; H29-K32 PolarHBondContact O-N 3.07Å; H29-K32 VanDerWaalsContact O-N 3.14Å; H29-H33 AromaticContact CD2-CD2 3.78Å; H29-H33 AromaticContact CD2-NE2 3.49Å; H29-H33 PolarHBondContact CD2-NE2 3.36Å; H29-H33 AromaticContact CE1-NE2 3.81Å; H29-H33 AromaticContact NE2-CD2 3.72Å; H29-H33 AromaticContact NE2-NE2 2.95Å; H29-H33 PolarHBondContact NE2-NE2 2.98Å; H29-H33 PolarHBondContact O-CD2 3.07Å
30R85.8Confident76.8Confident182 Ų182102.6 Ų102.669%0.68750%0.501SS*.Hα-helixtrans-62.1-41.2176-177.7177.9175.1179.7-2.6111.3L26 M27 K32 H33 E34L26-R30 VanDerWaalsContact O-CB 3.31Å; L26-R30 WeakPolarHBondContact O-CB 3.45Å; L26-R30 PolarHBondContact O-N 3.26Å; M27-R30 PolarHBondContact O-N 3.36Å; R30-K32 PolarHBondContact O-N 3.3Å; R30-H33 WeakPolarHBondContact O-CB 3.37Å; R30-H33 PolarHBondContact O-N 3.01Å; R30-E34 PolarHBondContact O-N 3.32Å
31H84.6Confident74.4Confident98 Ų98106.4 Ų106.445%0.45453%0.531SS..Hα-helixtrans-64.5-25.5176.2-163.257.1000112.6M27 I28 H29 E34 M35M27-H31 PolarHBondContact O-N 2.69Å; I28-H31 PolarHBondContact O-N 3.01Å; H29-H31 VanDerWaalsContact C-N 3.34Å; H29-H31 PolarHBondContact O-N 3.35Å; H31-E34 IonicContact CE1-OE2 2.65Å; H31-E34 IonicContact CG-OE2 3.66Å; H31-E34 IonicContact ND1-OE2 2.71Å; H31-E34 PolarHBondContact ND1-OE2 3.47Å; H31-E34 PolarHBondContact O-N 3.34Å; H31-M35 WeakPolarHBondContact CE1-CE 3.4Å; H31-M35 WeakPolarHBondContact O-CB 3.48Å; H31-M35 WeakPolarHBondContact O-CG 3.23Å; H31-M35 PolarHBondContact O-N 3.06Å
32K82Confident72.4Confident140 Ų140110.7 Ų110.761%0.60955%0.549SS*.Hα-helixtrans-66.5-34.1169-65.9-175.263.5174.90113I28 H29 R30 E34 T36I28-K32 PolarHBondContact O-N 2.95Å; H29-K32 WeakPolarHBondContact O-CB 3.25Å; H29-K32 PolarHBondContact O-N 3.07Å; H29-K32 VanDerWaalsContact O-N 3.14Å; R30-K32 PolarHBondContact O-N 3.3Å; K32-E34 VanDerWaalsContact C-N 3.34Å; K32-T36 WeakPolarHBondContact O-CB 3.33Å; K32-T36 PolarHBondContact O-N 3.26Å; K32-T36 VanDerWaalsContact O-N 3.1Å; K32-T36 PolarHBondContact O-OG1 3.05Å
33H81.3Confident70.2Confident70 Ų70117.4 Ų117.432%0.32457%0.573SS.*Hα-helixtrans-71.9-31.1174.8-68.4-81.1000112.1H29 R30H29-H33 AromaticContact CD2-CD2 3.78Å; H29-H33 AromaticContact CD2-NE2 3.49Å; H29-H33 PolarHBondContact CD2-NE2 3.36Å; H29-H33 AromaticContact CE1-NE2 3.81Å; H29-H33 AromaticContact NE2-CD2 3.72Å; H29-H33 AromaticContact NE2-NE2 2.95Å; H29-H33 PolarHBondContact NE2-NE2 2.98Å; H29-H33 PolarHBondContact O-CD2 3.07Å; R30-H33 WeakPolarHBondContact O-CB 3.37Å; R30-H33 PolarHBondContact O-N 3.01Å
34E74.6Confident67.7Low143 Ų143120.7 Ų120.767%0.66859%0.594SS**Hα-helixtrans-70.4-42.1174.3-176.2172.1-148.600112R30 H31 K32 T36R30-E34 PolarHBondContact O-N 3.32Å; H31-E34 IonicContact CE1-OE2 2.65Å; H31-E34 IonicContact CG-OE2 3.66Å; H31-E34 IonicContact ND1-OE2 2.71Å; H31-E34 PolarHBondContact ND1-OE2 3.47Å; H31-E34 PolarHBondContact O-N 3.34Å; K32-E34 VanDerWaalsContact C-N 3.34Å; E34-T36 VanDerWaalsContact C-N 3.32Å; E34-T36 PolarHBondContact O-N 3.45Å
35M62.1Low65.1Low137 Ų137123 Ų12368%0.67561%0.606SS**SBendtrans-83.1-1177.6-67.4-68.5168.500114.3H31H31-M35 WeakPolarHBondContact CE1-CE 3.4Å; H31-M35 WeakPolarHBondContact O-CB 3.48Å; H31-M35 WeakPolarHBondContact O-CG 3.23Å; H31-M35 PolarHBondContact O-N 3.06Å
36T63.5Low62.9Low90 Ų90124.3 Ų124.355%0.55262%0.617SS**SBendtrans-98.2110173.9-59.70000109.6K32 E34 K38K32-T36 WeakPolarHBondContact O-CB 3.33Å; K32-T36 PolarHBondContact O-N 3.26Å; K32-T36 VanDerWaalsContact O-N 3.1Å; K32-T36 PolarHBondContact O-OG1 3.05Å; E34-T36 VanDerWaalsContact C-N 3.32Å; E34-T36 PolarHBondContact O-N 3.45Å; T36-K38 PolarHBondContact O-N 3.25Å
37L50.5Low60.6Low123 Ų123130.7 Ų130.764%0.64465%0.648SS**  trans-55.5126.7175.6-64.6175.7000110.8F39L37-F39 VanDerWaalsContact C-N 3.29Å; L37-F39 HydrophobicContact CB-CD2 4.14Å; L37-F39 HydrophobicContact CB-CE2 3.64Å; L37-F39 HydrophobicContact CB-CZ 4.22Å; L37-F39 HydrophobicContact CD1-CE2 4.18Å; L37-F39 HydrophobicContact CD1-CZ 4.21Å; L37-F39 WeakPolarHBondContact O-CD2 3.37Å; L37-F39 PolarHBondContact O-N 3.14Å
38K52.5Low58.6Low203 Ų203133.2 Ų133.288%0.88366%0.663SS**  trans-75.275.5-178.7-72.5-177.4178.4174.50112.1T36T36-K38 PolarHBondContact O-N 3.25Å
39F45.9Very low56.6Low163 Ų163133.1 Ų133.172%0.71567%0.672SS**  trans-70.5141.3161.2-62.3-74.2000110L37L37-F39 VanDerWaalsContact C-N 3.29Å; L37-F39 HydrophobicContact CB-CD2 4.14Å; L37-F39 HydrophobicContact CB-CE2 3.64Å; L37-F39 HydrophobicContact CB-CZ 4.22Å; L37-F39 HydrophobicContact CD1-CE2 4.18Å; L37-F39 HydrophobicContact CD1-CZ 4.21Å; L37-F39 WeakPolarHBondContact O-CD2 3.37Å; L37-F39 PolarHBondContact O-N 3.14Å
40P37.9Very low54.3Low115 Ų115139.4 Ų139.475%0.74771%0.707SS**  trans-54.3141.1170.4-25.435000110.9I42P40-I42 PolarHBondContact O-N 3.19Å
41S39.5Very low52.3Low108 Ų108137.8 Ų137.876%0.75571%0.707SS**  trans-69.191.3-175-176.70000111.6K43S41-K43 PolarHBondContact O-N 3.05Å
42I46.6Very low50.8Low152 Ų152139.2 Ų139.278%0.77972%0.723SS**PPolyproline II helixtrans-60.2129.5158.2-55.4177.2000106.4P40 N44P40-I42 PolarHBondContact O-N 3.19Å; I42-N44 PolarHBondContact O-N 3.42Å
43K41.2Very low49.3Very low198 Ų198135.4 Ų135.486%0.86171%0.712SS**PPolyproline II helixtrans-57.9131.6-171.2-66.9174.8-179.7174.30110.6S41 D45S41-K43 PolarHBondContact O-N 3.05Å; K43-D45 PolarHBondContact O-N 3.42Å
44N36.7Very low48.2Very low148 Ų148136.2 Ų136.279%0.79172%0.722SS**PPolyproline II helixtrans-60.3126.6-171.7-64.4-21000112.7I42I42-N44 PolarHBondContact O-N 3.42Å
45D34.3Very low47.5Very low152 Ų152133.9 Ų133.981%0.81372%0.719SS**  trans-122.364.3157-131.6-41.8000111K43 M47K43-D45 PolarHBondContact O-N 3.42Å; D45-M47 VanDerWaalsContact C-N 3.29Å; D45-M47 PolarHBondContact O-N 3.44Å
46N44.8Very low47.5Very low136 Ų136132.5 Ų132.573%0.72772%0.719SS**SBendtrans42.91.4148.3-150.640.9000123.3
47M43.6Very low47.6Very low153 Ų153135.8 Ų135.875%0.75472%0.721SS**  trans-13427.6-162.7-73.1-67.5147.700116.6D45D45-M47 VanDerWaalsContact C-N 3.29Å; D45-M47 PolarHBondContact O-N 3.44Å
48L46.5Very low48.4Very low148 Ų148135.4 Ų135.478%0.77571%0.714SS**  trans-131.622.3-175.3-72.8175.9000116.3D50L48-D50 VanDerWaalsContact C-N 3.33Å; L48-D50 PolarHBondContact O-N 3.21Å
49S44.3Very low49.3Very low114 Ų114130.3 Ų130.380%0.79770%0.696SS**THydrogen-bonded Turntrans-78.91.2-174.9570000116.9
50D42.3Very low50.3Low155 Ų155128.7 Ų128.783%0.82969%0.689SS**THydrogen-bonded Turntrans-135.520.9-173.6-97.3-51.2000114.5L48L48-D50 VanDerWaalsContact C-N 3.33Å; L48-D50 PolarHBondContact O-N 3.21Å
51Q43.5Very low51.7Low147 Ų147126.4 Ų126.469%0.68767%0.671SS**  trans-10386.3172.5-75-74.6000110.9P53Q51-P53 VanDerWaalsContact O-CD 3.27Å; Q51-P53 WeakPolarHBondContact O-CD 3.32Å; Q51-P53 VanDerWaalsContact O-N 3.14Å
52T53Low53Low129 Ų129122 Ų12279%0.79164%0.64SS**  trans-59.2113.4157.1-58.10000107T54T52-T54 PolarHBondContact O-N 3.42Å
53P49.8Very low54Low60 Ų60121.2 Ų121.239%0.3963%0.633SS.*  trans-65.2117.2-174.526.1-33.1000108.9Q51Q51-P53 VanDerWaalsContact O-CD 3.27Å; Q51-P53 WeakPolarHBondContact O-CD 3.32Å; Q51-P53 VanDerWaalsContact O-N 3.14Å
54T59.4Low55.3Low87 Ų87118.7 Ų118.753%0.53462%0.624SS.*  trans-45133.3169.9-49.80000108.4T52 T56 R57 F58T52-T54 PolarHBondContact O-N 3.42Å; T54-T56 PolarHBondContact O-N 3.04Å; T54-R57 WeakPolarHBondContact O-CA 3.49Å; T54-R57 WeakPolarHBondContact O-CB 3.13Å; T54-R57 PolarHBondContact O-N 3.4Å; T54-F58 PolarHBondContact O-N 3.45Å
55P60.1Low56.9Low94 Ų94116.8 Ų116.861%0.6162%0.617SS**Hα-helixtrans-55-29.4-170.615.5-30.1000113.6R57 F58 L59P55-R57 VanDerWaalsContact C-N 3.35Å; P55-R57 PolarHBondContact O-N 3.5Å; P55-F58 PolarHBondContact O-N 3.08Å; P55-L59 WeakPolarHBondContact O-CB 3.22Å; P55-L59 VanDerWaalsContact O-CG 3.31Å; P55-L59 WeakPolarHBondContact O-CG 3.4Å; P55-L59 PolarHBondContact O-N 3.31Å
56T60.7Low58.3Low107 Ų107111.1 Ų111.166%0.65659%0.594SS**Hα-helixtrans-57.9-39170.5-40.60000114T54 K60T54-T56 PolarHBondContact O-N 3.04Å; T56-K60 WeakPolarHBondContact O-CB 3.49Å; T56-K60 PolarHBondContact O-N 3.41Å; T56-K60 VanDerWaalsContact O-N 3.09Å
57R66.6Low59.4Low159 Ų159110.1 Ų110.160%0.659%0.588SS**Hα-helixtrans-74.7-38.6175.2-171.3178.6-173-84.10.6111.1T54 P55 K60 N61T54-R57 WeakPolarHBondContact O-CA 3.49Å; T54-R57 WeakPolarHBondContact O-CB 3.13Å; T54-R57 PolarHBondContact O-N 3.4Å; P55-R57 VanDerWaalsContact C-N 3.35Å; P55-R57 PolarHBondContact O-N 3.5Å; R57-K60 PolarHBondContact O-N 3.46Å; R57-N61 WeakPolarHBondContact O-CB 3.21Å; R57-N61 PolarHBondContact O-N 3.17Å; R57-N61 PolarHBondContact O-OD1 3.47Å
58F66.6Low60.2Low115 Ų115107.1 Ų107.150%0.50457%0.571SS.*Hα-helixtrans-62.5-47.3175-176.6-94.3000111.5T54 P55 N61 C62T54-F58 PolarHBondContact O-N 3.45Å; P55-F58 PolarHBondContact O-N 3.08Å; F58-N61 PolarHBondContact O-N 3.07Å; F58-C62 VanDerWaalsContact CE1-SG 3.52Å; F58-C62 PolarHBondContact O-N 3.5Å; F58-C62 PolarHBondContact O-SG 3.18Å
59L72.8Confident61Low96 Ų96103.3 Ų103.350%0.50356%0.557SS.*Hα-helixtrans-59.2-48175.9-73.3166.7000111.9P55 N61 C62 E63 F68P55-L59 WeakPolarHBondContact O-CB 3.22Å; P55-L59 VanDerWaalsContact O-CG 3.31Å; P55-L59 WeakPolarHBondContact O-CG 3.4Å; P55-L59 PolarHBondContact O-N 3.31Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-N61 PolarHBondContact O-N 3.26Å; L59-C62 WeakPolarHBondContact O-CB 3.44Å; L59-C62 PolarHBondContact O-N 2.94Å; L59-E63 WeakPolarHBondContact O-CB 3.49Å; L59-E63 PolarHBondContact O-N 3.33Å; L59-F68 HydrophobicContact CD2-CZ 4.35Å
60K65.3Low61.7Low129 Ų129104.5 Ų104.556%0.56156%0.555SS**Hα-helixtrans-60.7-40.1176.3-171.9175.6-178.5-176.60112.4T56 R57 C62 E63 E64T56-K60 WeakPolarHBondContact O-CB 3.49Å; T56-K60 PolarHBondContact O-N 3.41Å; T56-K60 VanDerWaalsContact O-N 3.09Å; R57-K60 PolarHBondContact O-N 3.46Å; K60-C62 VanDerWaalsContact C-N 3.26Å; K60-C62 PolarHBondContact O-N 2.9Å; K60-E63 WeakPolarHBondContact O-CB 3.38Å; K60-E63 PolarHBondContact O-N 3.45Å; K60-E64 VanDerWaalsContact O-CB 3.22Å; K60-E64 WeakPolarHBondContact O-CB 3.36Å; K60-E64 PolarHBondContact O-N 3.25Å
61N67.3Low62.5Low68 Ų68101.6 Ų101.636%0.36454%0.539SS..Hα-helixtrans-65.7-26.9174.4-83.968.2000112.9R57 F58 L59 V65R57-N61 WeakPolarHBondContact O-CB 3.21Å; R57-N61 PolarHBondContact O-N 3.17Å; R57-N61 PolarHBondContact O-OD1 3.47Å; F58-N61 PolarHBondContact O-N 3.07Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-N61 PolarHBondContact O-N 3.26Å; N61-V65 WeakPolarHBondContact O-CG2 3.48Å; N61-V65 PolarHBondContact O-N 3.37Å
62C67.4Low63.4Low16 Ų1699.4 Ų99.411%0.10853%0.532CS..Hα-helixtrans-78.8-41.1174.7-64.90000111.8F58 L59 K60 E64 V65 G66 L67 F68F58-C62 VanDerWaalsContact CE1-SG 3.52Å; F58-C62 PolarHBondContact O-N 3.5Å; F58-C62 PolarHBondContact O-SG 3.18Å; L59-C62 WeakPolarHBondContact O-CB 3.44Å; L59-C62 PolarHBondContact O-N 2.94Å; K60-C62 VanDerWaalsContact C-N 3.26Å; K60-C62 PolarHBondContact O-N 2.9Å; C62-E64 VanDerWaalsContact C-N 3.34Å; C62-V65 WeakPolarHBondContact O-CG2 3.38Å; C62-V65 PolarHBondContact O-N 3.02Å; C62-G66 PolarHBondContact O-N 3.35Å; C62-L67 HydrophobicContact CB-CB 4.22Å; C62-L67 HydrophobicContact CB-CD1 4.27Å; C62-L67 WeakPolarHBondContact O-CB 3.37Å; C62-L67 PolarHBondContact O-N 2.97Å; C62-L67 VanDerWaalsContact O-N 3.08Å; C62-F68 HydrophobicContact CB-CE2 3.84Å
63E68.6Low63.6Low135 Ų13597.4 Ų97.463%0.63152%0.522SS*.Hα-helixtrans-57-45.8170.3-177.6-179.5-147.100110.9L59 K60 V65 G66L59-E63 WeakPolarHBondContact O-CB 3.49Å; L59-E63 PolarHBondContact O-N 3.33Å; K60-E63 WeakPolarHBondContact O-CB 3.38Å; K60-E63 PolarHBondContact O-N 3.45Å; E63-V65 VanDerWaalsContact C-N 3.26Å; E63-V65 PolarHBondContact O-N 3.35Å; E63-G66 PolarHBondContact O-N 3.39Å; E63-G66 VanDerWaalsContact O-N 3.07Å
64E67.7Low64.2Low145 Ų14597.4 Ų97.468%0.67852%0.523SS*.THydrogen-bonded Turntrans-67.8-16.6178.7-171168.8-161.900114.4K60 C62K60-E64 VanDerWaalsContact O-CB 3.22Å; K60-E64 WeakPolarHBondContact O-CB 3.36Å; K60-E64 PolarHBondContact O-N 3.25Å; C62-E64 VanDerWaalsContact C-N 3.34Å
65V70Confident64.6Low108 Ų10897.5 Ų97.566%0.65552%0.52SS*.THydrogen-bonded Turntrans-105.214.5171.3-56.20000113.6N61 C62 E63 L67N61-V65 WeakPolarHBondContact O-CG2 3.48Å; N61-V65 PolarHBondContact O-N 3.37Å; C62-V65 WeakPolarHBondContact O-CG2 3.38Å; C62-V65 PolarHBondContact O-N 3.02Å; E63-V65 VanDerWaalsContact C-N 3.26Å; E63-V65 PolarHBondContact O-N 3.35Å; V65-L67 VanDerWaalsContact C-N 3.29Å; V65-L67 HydrophobicContact CG2-CB 4.27Å; V65-L67 HydrophobicContact CG2-CD1 4.27Å; V65-L67 PolarHBondContact O-N 2.66Å
66G64.8Low64.9Low32 Ų3298.8 Ų98.833%0.3352%0.518SS..THydrogen-bonded Turntrans72.414.817400000115.3C62 E63 F68 S69C62-G66 PolarHBondContact O-N 3.35Å; E63-G66 PolarHBondContact O-N 3.39Å; E63-G66 VanDerWaalsContact O-N 3.07Å; G66-F68 PolarHBondContact O-N 3.39Å; G66-S69 PolarHBondContact O-N 3.06Å; G66-S69 PolarHBondContact O-OG 2.83Å
67L66.1Low65.2Low115 Ų11599.1 Ų99.160%0.60251%0.512SS*.THydrogen-bonded Turntrans-67.6-1.3-172-127.5170.8000114.6C62 V65C62-L67 HydrophobicContact CB-CB 4.22Å; C62-L67 HydrophobicContact CB-CD1 4.27Å; C62-L67 WeakPolarHBondContact O-CB 3.37Å; C62-L67 PolarHBondContact O-N 2.97Å; C62-L67 VanDerWaalsContact O-N 3.08Å; V65-L67 VanDerWaalsContact C-N 3.29Å; V65-L67 HydrophobicContact CG2-CB 4.27Å; V65-L67 HydrophobicContact CG2-CD1 4.27Å; V65-L67 PolarHBondContact O-N 2.66Å
68F60.8Low65.3Low90 Ų9096 Ų9640%0.39551%0.507SS..THydrogen-bonded Turntrans-114.8-10.5176-63.9-79.1000113.6L59 C62 G66 D70 L71 D72L59-F68 HydrophobicContact CD2-CZ 4.35Å; C62-F68 HydrophobicContact CB-CE2 3.84Å; G66-F68 PolarHBondContact O-N 3.39Å; F68-D70 VanDerWaalsContact C-N 3.3Å; F68-D70 PolarHBondContact O-N 2.96Å; F68-L71 HydrophobicContact CD1-CD1 3.94Å; F68-L71 WeakPolarHBondContact O-CB 3.41Å; F68-L71 PolarHBondContact O-N 3.41Å; F68-D72 PolarHBondContact O-N 3.03Å
69S64.8Low65.3Low68 Ų6898 Ų9848%0.47652%0.516SS..Hα-helixtrans-62.3-34.9-173.4-58.90000113.4G66 L71 C73G66-S69 PolarHBondContact O-N 3.06Å; G66-S69 PolarHBondContact O-OG 2.83Å; S69-L71 VanDerWaalsContact C-N 3.3Å; S69-L71 PolarHBondContact O-N 2.65Å; S69-C73 PolarHBondContact O-N 3.46Å
70D59Low65.1Low140 Ų14097.2 Ų97.275%0.74952%0.517SS*.Hα-helixtrans-69.3-27.7175-61.3-36.1000112.6F68 S74F68-D70 VanDerWaalsContact C-N 3.3Å; F68-D70 PolarHBondContact O-N 2.96Å; D70-S74 WeakPolarHBondContact O-CB 3.44Å; D70-S74 PolarHBondContact O-N 3.19Å; D70-S74 VanDerWaalsContact O-N 3.08Å
71L58.5Low65.3Low93 Ų9396.1 Ų96.149%0.48751%0.513SS..Hα-helixtrans-76.5-41.8-179.3-70.7167.8000111.5F68 S69 S74 I75F68-L71 HydrophobicContact CD1-CD1 3.94Å; F68-L71 WeakPolarHBondContact O-CB 3.41Å; F68-L71 PolarHBondContact O-N 3.41Å; S69-L71 VanDerWaalsContact C-N 3.3Å; S69-L71 PolarHBondContact O-N 2.65Å; L71-S74 PolarHBondContact O-N 3.08Å; L71-I75 WeakPolarHBondContact O-CB 3.35Å; L71-I75 WeakPolarHBondContact O-CD1 3.33Å; L71-I75 WeakPolarHBondContact O-CG1 3.4Å; L71-I75 PolarHBondContact O-N 2.92Å
72D61.2Low65.4Low101 Ų10195.7 Ų95.754%0.5452%0.518SS..Hα-helixtrans-59.6-49.5176.4-65.2-36000110.3F68 S74 I75 E76F68-D72 PolarHBondContact O-N 3.03Å; D72-S74 PolarHBondContact O-N 3.11Å; D72-I75 PolarHBondContact O-N 3.32Å; D72-E76 WeakPolarHBondContact O-CG 3.44Å; D72-E76 PolarHBondContact O-N 3.02Å
73C57.3Low65.5Low87 Ų87101.2 Ų101.259%0.58854%0.542SS*.Hα-helixtrans-64.2-35.6177.1-66.40000113.9S69 Q77S69-C73 PolarHBondContact O-N 3.46Å; C73-Q77 WeakPolarHBondContact O-CB 3.39Å; C73-Q77 PolarHBondContact O-N 3.24Å
74S62.7Low65.4Low60 Ų60101.1 Ų101.142%0.4254%0.542SS..Hα-helixtrans-68.3-42.7176-169.30000111.7D70 L71 D72 Q77 D78D70-S74 WeakPolarHBondContact O-CB 3.44Å; D70-S74 PolarHBondContact O-N 3.19Å; D70-S74 VanDerWaalsContact O-N 3.08Å; L71-S74 PolarHBondContact O-N 3.08Å; D72-S74 PolarHBondContact O-N 3.11Å; S74-Q77 PolarHBondContact O-N 3.4Å; S74-D78 PolarHBondContact O-N 3.35Å; S74-D78 VanDerWaalsContact O-N 3.08Å
75I67.9Low65.5Low89 Ų8999.7 Ų99.746%0.45654%0.535SS..Hα-helixtrans-67-45.6-178.2-70.6165.7000110.5L71 D72 Q77 D78 F79L71-I75 WeakPolarHBondContact O-CB 3.35Å; L71-I75 WeakPolarHBondContact O-CD1 3.33Å; L71-I75 WeakPolarHBondContact O-CG1 3.4Å; L71-I75 PolarHBondContact O-N 2.92Å; D72-I75 PolarHBondContact O-N 3.32Å; I75-Q77 VanDerWaalsContact C-N 3.33Å; I75-Q77 PolarHBondContact O-N 3.37Å; I75-D78 PolarHBondContact O-N 3.29Å; I75-F79 HydrophobicContact CG2-CD2 3.91Å; I75-F79 HydrophobicContact CG2-CE2 3.97Å; I75-F79 WeakPolarHBondContact O-CD2 3.46Å; I75-F79 PolarHBondContact O-N 2.75Å; I75-F79 VanDerWaalsContact O-N 3.11Å
76E67.5Low65.3Low122 Ų12299.2 Ų99.257%0.5753%0.526SS*.Hα-helixtrans-61.3-41.1176.7-70.3-174142.900111.8D72 D78 F79 C80D72-E76 WeakPolarHBondContact O-CG 3.44Å; D72-E76 PolarHBondContact O-N 3.02Å; E76-D78 PolarHBondContact O-N 3.22Å; E76-F79 PolarHBondContact O-N 2.94Å; E76-C80 PolarHBondContact O-N 2.71Å; E76-C80 PolarHBondContact O-SG 2.91Å
77Q66.6Low65.3Low114 Ų114102.7 Ų102.753%0.53354%0.537SS..Hα-helixtrans-65.5-39178.2-173.8174.6105.900113.1C73 S74 I75 C80 K81C73-Q77 WeakPolarHBondContact O-CB 3.39Å; C73-Q77 PolarHBondContact O-N 3.24Å; S74-Q77 PolarHBondContact O-N 3.4Å; I75-Q77 VanDerWaalsContact C-N 3.33Å; I75-Q77 PolarHBondContact O-N 3.37Å; Q77-C80 PolarHBondContact O-N 2.86Å; Q77-K81 HydrophobicContact CG-CD 4.37Å; Q77-K81 PolarHBondContact O-N 3.08Å
78D69.3Low65.4Low92 Ų92100.2 Ų100.249%0.49253%0.529SS..Hα-helixtrans-69.7-35.7178.1-75.2-24000112S74 I75 E76 A82S74-D78 PolarHBondContact O-N 3.35Å; S74-D78 VanDerWaalsContact O-N 3.08Å; I75-D78 PolarHBondContact O-N 3.29Å; E76-D78 PolarHBondContact O-N 3.22Å; D78-A82 WeakPolarHBondContact O-CB 3.49Å; D78-A82 PolarHBondContact O-N 2.87Å
79F66.4Low65.5Low158 Ų158101.3 Ų101.369%0.69353%0.534SS*.Hα-helixtrans-65-41.4171.6-89.6-74.3000112.6I75 E76 A82 Q83I75-F79 HydrophobicContact CG2-CD2 3.91Å; I75-F79 HydrophobicContact CG2-CE2 3.97Å; I75-F79 WeakPolarHBondContact O-CD2 3.46Å; I75-F79 PolarHBondContact O-N 2.75Å; I75-F79 VanDerWaalsContact O-N 3.11Å; E76-F79 PolarHBondContact O-N 2.94Å; F79-A82 PolarHBondContact O-N 3.31Å; F79-Q83 PolarHBondContact O-N 3.29Å
80C67.5Low65.2Low79 Ų79103.1 Ų103.153%0.53454%0.535SS..Hα-helixtrans-61.2-48.2174.8-73.10000112.1E76 Q77 A82 Q83 E84E76-C80 PolarHBondContact O-N 2.71Å; E76-C80 PolarHBondContact O-SG 2.91Å; Q77-C80 PolarHBondContact O-N 2.86Å; C80-A82 PolarHBondContact O-N 2.93Å; C80-Q83 PolarHBondContact O-N 3.34Å; C80-E84 PolarHBondContact O-N 3.27Å
81K69.9Low64.6Low107 Ų107102 Ų10247%0.46553%0.529SS..Hα-helixtrans-59.5-43.1177.5-78.4168.1174.3160.70112.6Q77 Q83 E84 E85Q77-K81 HydrophobicContact CG-CD 4.37Å; Q77-K81 PolarHBondContact O-N 3.08Å; K81-Q83 VanDerWaalsContact C-N 3.26Å; K81-Q83 PolarHBondContact O-N 3.05Å; K81-E84 PolarHBondContact O-N 3.2Å; K81-E85 WeakPolarHBondContact O-CB 3.46Å; K81-E85 PolarHBondContact O-N 3.02Å
82A68.8Low64.4Low58 Ų58103.9 Ų103.948%0.47954%0.538SS..Hα-helixtrans-61.8-35178.600000112.5D78 F79 C80 E86D78-A82 WeakPolarHBondContact O-CB 3.49Å; D78-A82 PolarHBondContact O-N 2.87Å; F79-A82 PolarHBondContact O-N 3.31Å; C80-A82 PolarHBondContact O-N 2.93Å; A82-E86 PolarHBondContact O-N 2.88Å
83Q69.8Low63.9Low132 Ų132103 Ų10362%0.61755%0.545SS*.Hα-helixtrans-71.8-44.5176.5-169.866.334.200111.9F79 C80 K81 E85 E86 D87F79-Q83 PolarHBondContact O-N 3.29Å; C80-Q83 PolarHBondContact O-N 3.34Å; K81-Q83 VanDerWaalsContact C-N 3.26Å; K81-Q83 PolarHBondContact O-N 3.05Å; Q83-E85 VanDerWaalsContact C-N 3.32Å; Q83-E85 PolarHBondContact O-N 3.26Å; Q83-E86 PolarHBondContact O-N 3.36Å; Q83-D87 PolarHBondContact O-N 3.07Å; Q83-D87 VanDerWaalsContact O-N 3.14Å
84E67.3Low63.4Low133 Ų133106 Ų10662%0.62156%0.555SS**Hα-helixtrans-63.7-35.5177-70.2-179.1154.100112.3C80 K81 E86 S88C80-E84 PolarHBondContact O-N 3.27Å; K81-E84 PolarHBondContact O-N 3.2Å; E84-E86 VanDerWaalsContact C-N 3.31Å; E84-E86 PolarHBondContact O-N 3.48Å; E84-S88 VanDerWaalsContact O-CB 3.23Å; E84-S88 WeakPolarHBondContact O-CB 3.44Å; E84-S88 PolarHBondContact O-N 2.89Å; E84-S88 PolarHBondContact O-OG 3.44Å
85E69Low62.7Low116 Ų116111.9 Ų111.954%0.54258%0.575SS.*Hα-helixtrans-72.1-22.4177.6-147.1-157.4143.100113.1K81 Q83 K89K81-E85 WeakPolarHBondContact O-CB 3.46Å; K81-E85 PolarHBondContact O-N 3.02Å; Q83-E85 VanDerWaalsContact C-N 3.32Å; Q83-E85 PolarHBondContact O-N 3.26Å; E85-K89 WeakPolarHBondContact O-CD 3.34Å; E85-K89 VanDerWaalsContact O-CE 3.25Å; E85-K89 WeakPolarHBondContact O-CE 3.46Å; E85-K89 WeakPolarHBondContact O-CG 3.35Å; E85-K89 VanDerWaalsContact OE1-CE 3.22Å; E85-K89 WeakPolarHBondContact OE1-CE 3.38Å; E85-K89 IonicContact OE1-NZ 2.65Å; E85-K89 PolarHBondContact OE1-NZ 3.45Å; E85-K89 IonicContact OE2-NZ 3.85Å
86E67Low61Low98 Ų98110.7 Ų110.746%0.45858%0.584SS.*Hα-helixtrans-79.8-50.7174.3-131.6-89.310100110.5A82 Q83 E84 S88 K89 Q90A82-E86 PolarHBondContact O-N 2.88Å; Q83-E86 PolarHBondContact O-N 3.36Å; E84-E86 VanDerWaalsContact C-N 3.31Å; E84-E86 PolarHBondContact O-N 3.48Å; E86-S88 VanDerWaalsContact C-N 3.31Å; E86-S88 PolarHBondContact O-N 2.81Å; E86-K89 WeakPolarHBondContact O-CB 3.28Å; E86-K89 PolarHBondContact O-N 3.37Å; E86-Q90 PolarHBondContact O-N 3.49Å; E86-Q90 PolarHBondContact OE1-NE2 3.41Å; E86-Q90 PolarHBondContact OE2-NE2 2.99Å
87D63.1Low59.5Low104 Ų104114.3 Ų114.356%0.55660%0.601SS**Hα-helixtrans-60.1-40.5178.1-163.351.2000111.6Q83 K89 Q90 N91Q83-D87 PolarHBondContact O-N 3.07Å; Q83-D87 VanDerWaalsContact O-N 3.14Å; D87-K89 VanDerWaalsContact C-N 3.29Å; D87-K89 PolarHBondContact O-N 3.38Å; D87-Q90 PolarHBondContact O-N 3.5Å; D87-N91 WeakPolarHBondContact O-CB 3.19Å; D87-N91 PolarHBondContact O-N 2.97Å
88S68.6Low57.9Low64 Ų64114.1 Ų114.145%0.44862%0.619SS.*Hα-helixtrans-59.1-36.4173.5-62.90000113.2E84 E86 I92E84-S88 VanDerWaalsContact O-CB 3.23Å; E84-S88 WeakPolarHBondContact O-CB 3.44Å; E84-S88 PolarHBondContact O-N 2.89Å; E84-S88 PolarHBondContact O-OG 3.44Å; E86-S88 VanDerWaalsContact C-N 3.31Å; E86-S88 PolarHBondContact O-N 2.81Å; S88-I92 WeakPolarHBondContact O-CD1 3.47Å; S88-I92 WeakPolarHBondContact O-CG1 3.42Å; S88-I92 PolarHBondContact O-N 3.13Å
89K63.2Low56.1Low112 Ų112113 Ų11349%0.48763%0.63SS.*Hα-helixtrans-75.5-37.7178.5-72.3163.8-167.1155.90111.7E85 E86 D87 N91 A93E85-K89 WeakPolarHBondContact O-CD 3.34Å; E85-K89 VanDerWaalsContact O-CE 3.25Å; E85-K89 WeakPolarHBondContact O-CE 3.46Å; E85-K89 WeakPolarHBondContact O-CG 3.35Å; E85-K89 VanDerWaalsContact OE1-CE 3.22Å; E85-K89 WeakPolarHBondContact OE1-CE 3.38Å; E85-K89 IonicContact OE1-NZ 2.65Å; E85-K89 PolarHBondContact OE1-NZ 3.45Å; E85-K89 IonicContact OE2-NZ 3.85Å; E86-K89 WeakPolarHBondContact O-CB 3.28Å; E86-K89 PolarHBondContact O-N 3.37Å; D87-K89 VanDerWaalsContact C-N 3.29Å; D87-K89 PolarHBondContact O-N 3.38Å; K89-N91 VanDerWaalsContact C-N 3.33Å; K89-A93 PolarHBondContact O-N 3Å
90Q58.3Low54.6Low106 Ų106115.5 Ų115.550%0.49564%0.643SS.*Hα-helixtrans-67.1-35.1175.4-64.8-172.12500111.8E86 D87E86-Q90 PolarHBondContact O-N 3.49Å; E86-Q90 PolarHBondContact OE1-NE2 3.41Å; E86-Q90 PolarHBondContact OE2-NE2 2.99Å; D87-Q90 PolarHBondContact O-N 3.5Å
91N47.7Very low52.8Low116 Ų116115.2 Ų115.262%0.6265%0.654SS**Hα-helixtrans-64.9-48.6176.3-159-67.5000112.5D87 K89 A93 L94D87-N91 WeakPolarHBondContact O-CB 3.19Å; D87-N91 PolarHBondContact O-N 2.97Å; K89-N91 VanDerWaalsContact C-N 3.33Å; N91-A93 VanDerWaalsContact C-N 3.26Å; N91-A93 PolarHBondContact O-N 3.09Å; N91-L94 PolarHBondContact O-N 3.49Å; N91-L94 VanDerWaalsContact O-N 3.13Å
92I53.8Low51Low133 Ų133118.7 Ų118.768%0.68267%0.672SS**Hα-helixtrans-62.2-32.1-178.8-69.2166.1000112.2S88 L94S88-I92 WeakPolarHBondContact O-CD1 3.47Å; S88-I92 WeakPolarHBondContact O-CG1 3.42Å; S88-I92 PolarHBondContact O-N 3.13Å; I92-L94 PolarHBondContact O-N 3Å; I92-L94 VanDerWaalsContact O-N 3.17Å
93A50.1Low49.2Very low83 Ų83123.1 Ų123.169%0.68668%0.683SS**THydrogen-bonded Turntrans-64.1-17.3178.400000114.2K89 N91K89-A93 PolarHBondContact O-N 3Å; N91-A93 VanDerWaalsContact C-N 3.26Å; N91-A93 PolarHBondContact O-N 3.09Å
94L47.6Very low47.5Very low151 Ų151123.4 Ų123.479%0.79168%0.684SS**THydrogen-bonded Turntrans-99.74.9-173.5-99.5159.6000115.2N91 I92N91-L94 PolarHBondContact O-N 3.49Å; N91-L94 VanDerWaalsContact O-N 3.13Å; I92-L94 PolarHBondContact O-N 3Å; I92-L94 VanDerWaalsContact O-N 3.17Å
95H47.2Very low45.8Very low182 Ų182124.5 Ų124.584%0.84369%0.689SS**SBendtrans-130.713.1177.9-131.863.7000114.9Q97H95-Q97 PolarHBondContact O-N 3.04Å
96G33Very low44.1Very low64 Ų64122.9 Ų122.966%0.6669%0.691SS**  trans-85.790.8-174.700000115.7
97Q36.2Very low42.6Very low198 Ų198127.1 Ų127.193%0.92571%0.71SS**  trans64.7124.7158.3-58.1-175.15.200120.3H95H95-Q97 PolarHBondContact O-N 3.04Å
98A31.7Very low41.2Very low110 Ų110125.4 Ų125.491%0.90971%0.71SS**  trans-133128.1140.400000108.8
99G31.6Very low39.6Very low69 Ų69133.3 Ų133.371%0.71173%0.73SS**  trans140.784.7163.500000119.9
100Q35.4Very low38.1Very low210 Ų210135.8 Ų135.898%0.98175%0.745SS**  trans68.3145.5144.6-49.4-177.61100119.6
101G29.4Very low36.9Very low74 Ų74135.2 Ų135.276%0.76376%0.759SS**  trans-174.9-34.2179.900000121.6
102Q31.4Very low36.2Very low179 Ų179135.4 Ų135.484%0.83676%0.76SS**  trans69153.9179.5-53.7-164.510.300120.5
103H31.8Very low35.6Very low152 Ų152137 Ų13770%0.70476%0.764SS**  trans61152.8169.4-86.765.9000117.6
104Q33.3Very low34.8Very low138 Ų138138.6 Ų138.665%0.64576%0.761SS**  cis-174.1135.1-25.1179.6169.8105.600103.9
105Q32.8Very low34.2Very low156 Ų156138.5 Ų138.573%0.72977%0.767SS**  cis-165.5172.244.8-139.5162.923.200111.6
106S32.9Very low33.4Very low82 Ų82134.8 Ų134.857%0.57376%0.761SS**  trans-10.3149.4155.450.90000120.1
107H35.3Very low33.4Very low187 Ų187138.2 Ų138.287%0.86676%0.763SS**  cis-171.8174.218.6-111.85.5000109.5
108A33.6Very low33.2Very low68 Ų68135.2 Ų135.256%0.56276%0.758SS**  cis-171.6149.9-16.600000112.5
109R35.4Very low33.4Very low229 Ų229136.3 Ų136.386%0.86475%0.748SS**  trans55151.3145.1-68.9-175.4175.7176.1-0.9122.6
110M32.2Very low33.2Very low164 Ų164142 Ų14281%0.80876%0.755SS**  cis-176.4176.6-37.9-126.8-156-72.100112.1
111A33.2Very low33Very low94 Ų94140.5 Ų140.578%0.77775%0.749SS**  trans81.9149.6157.500000119.1
112N32.7Very low32.8Very low121 Ų121141.7 Ų141.765%0.64775%0.751SS**  cis-174137.2-25.3175.9-107000106.2D114N112-D114 PolarHBondContact ND2-OD2 3.45Å
113H41.8Very low32.7Very low167 Ų167141.3 Ų141.377%0.77375%0.754SS**  -153.3166.367.736.7-71.5000109.8
114D32.1Very low33.4Very low116 Ų116139.1 Ų139.162%0.6275%0.753SS**  cis70.6127.243.8-58-68.5000113.9N112N112-D114 PolarHBondContact ND2-OD2 3.45Å
115T34.3Very low33.2Very low148 Ų148137.9 Ų137.991%0.90876%0.76SS**  cis-142.5-170.648.435.40000115.3
116S30.8Very low34Very low104 Ų104135.8 Ų135.873%0.72776%0.759SS**  trans-134.2145.9-145.2-169.10000117.2
117I33.6Very low33.9Very low136 Ų136140.8 Ų140.870%0.69777%0.774SS**  trans30.6127.8145.3-57.3-68000121.2
118V32.8Very low33.7Very low135 Ų135136.6 Ų136.682%0.81877%0.765SS**  -142.3143.1129.5177.80000109.4
119I34.3Very low33.6Very low134 Ų134138.3 Ų138.369%0.68777%0.774SS**  trans-124140.6168.7-64172.8000108.7
120Q28.8Very low33.4Very low187 Ų187133 Ų13387%0.87477%0.771SS**  trans-141.5155.1159.9-155.273.486.900109.9
121Q29.4Very low33.4Very low180 Ų180130.9 Ų130.984%0.84177%0.767SS**  trans-138.6122.4-159.5176.9-17518.200110.9
122A25.9Very low33.3Very low98 Ų98133.2 Ų133.281%0.8177%0.765SS**  trans-164.8151.7166.200000112.6
123L29.4Very low33.1Very low171 Ų171132.7 Ų132.790%0.89577%0.766SS**  trans-156.3166.5173.8-82.1179.9000107.2
124P46.3Very low32.6Very low107 Ų107133.1 Ų133.170%0.69577%0.769SS**  cis-132.5-160.2-7.838.3-19000113.6
125S29.3Very low32.7Very low112 Ų112132 Ų13278%0.78378%0.776SS**  trans92156.8151.1-87.10000120
126P50.2Low32.8Very low111 Ų111130.7 Ų130.772%0.72177%0.77SS**  trans-132.9176-131.444.5-31000116.5
127Q30.5Very low32.9Very low188 Ų188131.3 Ų131.388%0.87977%0.774SS**  trans-165.9138.5149.6-110.1162.82200116.2
128S31.1Very low32.9Very low98 Ų98131.6 Ų131.669%0.68578%0.782SS**  trans53.1103.5137.2-54.70000124.7
129S32.3Very low32.9Very low105 Ų105131 Ų13173%0.73478%0.775SS**  41.1116121.964.10000123.6
130S30.4Very low32.9Very low117 Ų117135.6 Ų135.682%0.81878%0.783SS**  trans-176.3142.4131.2-79.90000109
131V31.8Very low33.1Very low119 Ų119134.6 Ų134.672%0.72178%0.779SS**  cis108.3100.225.2170.30000112.6
132I30.9Very low33.4Very low143 Ų143133.2 Ų133.273%0.73378%0.776SS**  trans82.6136149.1-65170.9000121.6
133T29.8Very low33.7Very low110 Ų110131.5 Ų131.568%0.67577%0.768SS**  trans86.1137.5156.4380000125.6
134Q29.9Very low34.9Very low176 Ų176129.1 Ų129.182%0.82276%0.762SS**  trans80.7113.9141.4-76.9172.2111.800120.9
135A34.5Very low34.4Very low93 Ų93130.2 Ų130.277%0.76977%0.767SS**  trans-87.7163.2149.900000110.2
136P36.8Very low35.1Very low120 Ų120130.7 Ų130.778%0.77977%0.768SS**  trans-125134.9145.835.1-25.5000112.2
137S32.8Very low34.2Very low117 Ų117128.9 Ų128.982%0.81877%0.769SS**  trans-74147.2161.9-60.70000110.2
138T34.6Very low34.4Very low142 Ų142125.7 Ų125.787%0.87177%0.767SS**  trans-152.2126.8146.2-11.90000112.7
139N32.3Very low34.9Very low124 Ų124129.1 Ų129.166%0.66378%0.777SS**  trans-72.7136.2172.8173.35.2000110.5
140R35.2Very low35Very low229 Ų229129.5 Ų129.586%0.86478%0.779SS**  trans-136.9132.2149.5-95.2-170.8173.1-103-2.5110.9
141Q32.6Very low35.2Very low167 Ų167130 Ų13078%0.7878%0.783SS**  trans-142.6105.5-172.7-179.6-17810.600109.6
142I34.2Very low35.5Very low150 Ų150130.7 Ų130.777%0.76978%0.782SS**  trans-146.7137.2172.3-51.6179.9000107.1
143G32.8Very low35.9Very low63 Ų63132 Ų13265%0.64979%0.789SS**  trans-123.2-144171.800000110.4
144P54.6Low36.4Very low120 Ų120134.4 Ų134.478%0.77979%0.793SS**  cis-131.9-152.9-26.929.9-6.9000111.2
145V36.9Very low36.5Very low130 Ų130134.3 Ų134.379%0.78880%0.797SS**  trans80140.3163.9-166.20000115.7
146P43.4Very low36.6Very low123 Ų123140.7 Ų140.780%0.79980%0.801SS**  cis-132-176-43.839.9-22.2000112.6
147G30.6Very low36.8Very low72 Ų72142.3 Ų142.374%0.74280%0.803SS**  trans148.9120.5152.500000118.7
148S36.1Very low36.7Very low121 Ų121147.7 Ų147.785%0.84681%0.805SS**  trans46.9116.2157.1-152.90000120.7
149L39.8Very low36.9Very low171 Ų171149.9 Ų149.990%0.89581%0.806SS**  trans-92.2132.7165.3-68.8171.9000111
150S35.5Very low37.4Very low112 Ų112154.9 Ų154.978%0.78382%0.816SS**  trans-15993.6160.5-81.60000110.8L152S150-L152 PolarHBondContact O-N 2.92Å
151S34.5Very low37.5Very low127 Ų127151.8 Ų151.889%0.88881%0.811SS**  trans-73.3110.1173.9-75.20000110.8
152L38.8Very low38Very low134 Ų134149.2 Ų149.270%0.70281%0.809SS**  trans-13958.5172.8-137.9168.5000111S150 H154S150-L152 PolarHBondContact O-N 2.92Å; L152-H154 VanDerWaalsContact C-N 3.29Å; L152-H154 WeakPolarHBondContact CD2-CE1 3.22Å; L152-H154 WeakPolarHBondContact CD2-ND1 3.49Å; L152-H154 PolarHBondContact O-N 2.93Å
153L38.1Very low38.6Very low171 Ų171149.8 Ų149.890%0.89581%0.812SS**  trans-68.184.1175.1-77.6173.4000111.1L155L153-L155 PolarHBondContact O-N 3.38Å; L153-L155 VanDerWaalsContact O-N 3.13Å
154H41.3Very low39.2Very low160 Ų160152.7 Ų152.774%0.74182%0.82SS**  trans-56.1114156.1-7990.8000108.5L152 R156L152-H154 VanDerWaalsContact C-N 3.29Å; L152-H154 WeakPolarHBondContact CD2-CE1 3.22Å; L152-H154 WeakPolarHBondContact CD2-ND1 3.49Å; L152-H154 PolarHBondContact O-N 2.93Å; H154-R156 PolarHBondContact O-N 2.89Å
155L31.9Very low38.5Very low174 Ų174151.8 Ų151.891%0.91182%0.822SS**  trans-72.680.1176.8-170.967.9000109.4L153 N157L153-L155 PolarHBondContact O-N 3.38Å; L153-L155 VanDerWaalsContact O-N 3.13Å; L155-N157 PolarHBondContact O-N 3.41Å
156R36.7Very low38.6Very low227 Ų227151.4 Ų151.486%0.85783%0.826SS**  trans-54.9113.8179.7-176.7176.4-177170.51.9109.1H154 R158H154-R156 PolarHBondContact O-N 2.89Å; R156-R158 PolarHBondContact O-N 2.9Å
157N40Very low38.9Very low154 Ų154153.8 Ų153.882%0.82483%0.828SS**  trans-53.5112.2177.9-174.5-4.7000109.1L155 Q159L155-N157 PolarHBondContact O-N 3.41Å; N157-Q159 PolarHBondContact O-N 3.2Å
158R31.9Very low39.6Very low230 Ų230155.5 Ų155.587%0.86883%0.826SS**  trans-93.895.4-174-147.1-179.5-173-160.50.2107.6R156 R160R156-R158 PolarHBondContact O-N 2.9Å; R158-R160 PolarHBondContact O-N 3.01Å
159Q37.6Very low39.6Very low188 Ų188153 Ų15388%0.87982%0.82SS**  trans-52.4108.4175.6-172.6166.3-3.900109.2N157N157-Q159 PolarHBondContact O-N 3.2Å
160R42.3Very low39.9Very low230 Ų230151.9 Ų151.987%0.86882%0.82SS**PPolyproline II helixtrans-80.1124.8-179.2-171-167.2-74.9-118.17.6107.5R158R158-R160 PolarHBondContact O-N 3.01Å
161Q38.3Very low40Very low164 Ų164154.5 Ų154.577%0.76683%0.825SS**PPolyproline II helixtrans-54.1132.4168.9-72-75.613.400109.5
162P42.1Very low40.6Very low113 Ų113153.9 Ų153.973%0.73482%0.817SS**PPolyproline II helixtrans-67.5143.9169.529.9-33.1000109.7
163L47.3Very low40.9Very low162 Ų162153.4 Ų153.485%0.84882%0.816SS**PPolyproline II helixtrans-96.7146.3164.5-67.7172.3000107.8A165L163-A165 PolarHBondContact O-N 2.98Å
164P45.3Very low41.2Very low124 Ų124150.9 Ų150.981%0.80581%0.809SS**PPolyproline II helixtrans-63.4136.7-18026.6-34.4000111
165A39.7Very low41.2Very low100 Ų100148.4 Ų148.483%0.82681%0.806SS**PPolyproline II helixtrans-85.2146.2171.900000110.5L163L163-A165 PolarHBondContact O-N 2.98Å
166S39.3Very low41.6Very low123 Ų123147.8 Ų147.886%0.8680%0.8SS**PPolyproline II helixtrans-96.6143.1170.4-63.60000110.4
167M50.2Low41.9Very low172 Ų172142.2 Ų142.285%0.84779%0.793SS**PPolyproline II helixtrans-61.6154.2-173.4-68.4-65-75.100114.3
168P45.5Very low41.6Very low108 Ų108138.4 Ų138.470%0.70179%0.791SS**PPolyproline II helixtrans-66.3146.1170.529.5-35.4000111.7
169G34.8Very low41.6Very low70 Ų70133.8 Ų133.872%0.72279%0.793SS**  trans-126.9119.3173.600000110.7L171G169-L171 PolarHBondContact O-N 3.39Å
170T47.7Very low41.5Very low146 Ų146130.6 Ų130.690%0.89679%0.792SS**PPolyproline II helixtrans-68.9120178.5500000111
171L37.7Very low41.2Very low168 Ų168124.2 Ų124.288%0.8879%0.788SS**PPolyproline II helixtrans-82.8136.7172.5-69.9171.7000111G169G169-L171 PolarHBondContact O-N 3.39Å
172P47Very low40.9Very low113 Ų113122.3 Ų122.373%0.73479%0.788SS**PPolyproline II helixtrans-76144.9164.932.3-33.1000110.9P174P172-P174 WeakPolarHBondContact O-CD 3.41Å
173D44.1Very low40.7Very low125 Ų125125 Ų12567%0.66880%0.795SS**PPolyproline II helixtrans-71.3130.5172.7177.456.1000111.8T175D173-T175 PolarHBondContact OD2-N 3.39Å; D173-T175 PolarHBondContact OD2-OG1 3.25Å
174P45.7Very low40Very low117 Ų117125.1 Ų125.176%0.7679%0.793SS**  trans-102.382.116936.4-27.3000111.1P172P172-P174 WeakPolarHBondContact O-CD 3.41Å
175T40.1Very low39.8Very low108 Ų108125 Ų12566%0.66379%0.792SS**  trans-70.3151169.6-10.70000111.5D173D173-T175 PolarHBondContact OD2-N 3.39Å; D173-T175 PolarHBondContact OD2-OG1 3.25Å
176M39.6Very low39.8Very low161 Ų161129.2 Ų129.279%0.79380%0.797SS**  trans71.5167.2167.9-54.9-73.4-77.800116.9
177P44.1Very low39.8Very low110 Ų110132.6 Ų132.671%0.71480%0.8SS**  -124.1169-61.537.5-24.6000112.1
178G34Very low39.3Very low75 Ų75134.4 Ų134.477%0.77380%0.797SS**  trans-72.6155.9-174.500000115.9
179S31.6Very low38.7Very low132 Ų132138.4 Ų138.492%0.92381%0.806SS**  trans-144.3133.3160.2-80.50000109.2
180S36.3Very low38.7Very low122 Ų122142.5 Ų142.585%0.85381%0.809SS**  trans-100.7136.5-167.6-1700000111.9
181A34.4Very low38Very low95 Ų95141 Ų14179%0.78580%0.803SS**  trans-126.3130.4173.100000110.2
182V33.3Very low38.3Very low125 Ų125141.8 Ų141.876%0.75881%0.805SS**  trans-80.7130.9-172.9172.90000111.3
183L36.2Very low37.6Very low170 Ų170139.8 Ų139.889%0.8981%0.805SS**  trans-80120.8168.1-71.4173.1000110.5
184M33Very low37.3Very low164 Ų164139.7 Ų139.781%0.80881%0.814SS**  trans-106.2127.6165.2-76.4-71.3-162.100109.2
185P41.1Very low36.9Very low121 Ų121141.4 Ų141.479%0.78682%0.817SS**  trans-79.8135171.831.9-32000110.7
186M39.2Very low36.7Very low189 Ų189144.6 Ų144.693%0.93183%0.826SS**  trans-117.6111.5171.6-82.5-171.5164.200110.7
187E40Very low36.6Very low194 Ų194145.9 Ų145.991%0.90783%0.833SS**  trans-96.6124.9165.8-64.9-176-179.300109.6
188R39.1Very low36.1Very low210 Ų210144.2 Ų144.279%0.79284%0.835SS**  trans-152.9108165.4-166.3169.9-173.883.4-0111.9M190R188-M190 HydrophobicContact CB-CE 4.38Å; R188-M190 HydrophobicContact CG-CE 4.3Å; R188-M190 HydrophobicContact CG-SD 4.25Å
189Q34.3Very low36.4Very low192 Ų192149.4 Ų149.490%0.89784%0.842SS**  trans-69.2141.4164.4-64.1-178.8-76.900109.8
190M35Very low37.1Very low156 Ų156148.1 Ų148.177%0.76883%0.831SS**  trans-101.1137.6172.1-49.6-57.3173.600108.6R188R188-M190 HydrophobicContact CB-CE 4.38Å; R188-M190 HydrophobicContact CG-CE 4.3Å; R188-M190 HydrophobicContact CG-SD 4.25Å
191S33.2Very low36.8Very low113 Ų113147.7 Ų147.779%0.7983%0.828SS**  trans-127.4132.8178.8-175.30000110.7
192M43.1Very low37.2Very low186 Ų186149 Ų14992%0.91683%0.828SS**  trans-144.8145169.2-60.9-67.9176.900106
193G33Very low37Very low71 Ų71146.8 Ų146.873%0.73282%0.823SS**  cis139.1893.600000109.7
194S36.7Very low36.9Very low123 Ų123147 Ų14786%0.8682%0.819SS**  trans-141.4140.7-176.7-65.10000111.5
195N37.2Very low36.7Very low153 Ų153143.6 Ų143.682%0.81881%0.811SS**  trans-105.9146.7-172.6-59.6-22.9000112.3
196M35.5Very low36.2Very low174 Ų174145.6 Ų145.686%0.85782%0.815SS**  178.7146.1107.465.8-179.387.700114.7
197M38.3Very low35.9Very low188 Ų188142.5 Ų142.593%0.92681%0.812SS**  trans29.9122.6141.6-58.9-70.6-82.800121.2
198G33.3Very low35.2Very low75 Ų75139 Ų13977%0.77381%0.808SS**  trans168130.7158.200000115.3
199M40.3Very low34.8Very low185 Ų185135.1 Ų135.191%0.91181%0.813SS**  trans-151.9157.9177.9-73.7-76.7-173.600109.1
200P47Very low34.7Very low105 Ų105131.5 Ų131.568%0.68280%0.804SS**  cis-135.2170.5-26.839.3-23.7000114.6
201S28.5Very low34.7Very low113 Ų113131.9 Ų131.979%0.7980%0.804SS**  trans68.7158.4153.6-68.40000120.5
202P44.8Very low34.9Very low121 Ų121133.3 Ų133.379%0.78680%0.801SS**  cis-137.8178.7-29.637.7-20.5000115.7
203A29Very low34.7Very low80 Ų80129.4 Ų129.466%0.66179%0.79SS**  trans95.5157.9150.100000121.5
204H32.5Very low35Very low173 Ų173130.5 Ų130.580%0.80179%0.786SS**  trans78.379.2169.2-56.1-68.8000120.9
205S30.4Very low35.4Very low93 Ų93131.8 Ų131.865%0.6578%0.781SS**  35.5110.9123.759.50000120.7
206N29.8Very low35.6Very low163 Ų163132.3 Ų132.387%0.87278%0.778SS**  -174.915299.1-98.2-18.2000113.3
207S32Very low36.3Very low124 Ų124127.7 Ų127.787%0.86776%0.763SS**  trans-94.2132.6172.6-65.60000111.6
208C26.5Very low36.9Very low122 Ų122122.9 Ų122.982%0.82474%0.738SS**  trans-148.6146.9148.262.30000109.7
209S31.1Very low38.1Very low127 Ų127122.3 Ų122.389%0.88873%0.726SS**  trans-105.8132.3-179-176.10000109.7
210T30.8Very low38.9Very low117 Ų117121.5 Ų121.572%0.71872%0.717SS**  trans-112107.6-174-53.10000111.1
211H35.8Very low39.6Very low164 Ų164122.5 Ų122.576%0.75972%0.716SS**PPolyproline II helixtrans-81.8122.7173.7175.7-62.6000110.5P213H211-P213 VanDerWaalsContact O-CD 3.29Å; H211-P213 WeakPolarHBondContact O-CD 3.42Å
212I36.7Very low41.1Very low142 Ų142125.4 Ų125.473%0.72871%0.71SS**PPolyproline II helixtrans-70.1122.2177.9-58.6-65.3000111
213P40.3Very low41.6Very low104 Ų104125.3 Ų125.368%0.67570%0.702SS**PPolyproline II helixtrans-82.8150.6171.8-10.929.8000112.3H211H211-P213 VanDerWaalsContact O-CD 3.29Å; H211-P213 WeakPolarHBondContact O-CD 3.42Å
214S38.9Very low42.6Very low95 Ų95129.4 Ų129.466%0.66471%0.705SS**PPolyproline II helixtrans-77.3127.4177.1-179.60000112.5H216S214-H216 PolarHBondContact O-N 2.94Å
215M44.1Very low43.5Very low150 Ų150123.8 Ų123.874%0.73969%0.688SS**THydrogen-bonded Turntrans-58.4-16-178.7-70.3-66.7-68.200115.3S217M215-S217 VanDerWaalsContact C-N 3.35Å; M215-S217 PolarHBondContact O-N 3.49Å
216H42.9Very low44.4Very low163 Ų163122.6 Ų122.676%0.75568%0.684SS**THydrogen-bonded Turntrans-79.7-12.4-164.8-136.9-53.3000115.1S214S214-H216 PolarHBondContact O-N 2.94Å
217S49.7Very low45.2Very low78 Ų78121.1 Ų121.155%0.54568%0.675SS.*THydrogen-bonded Turntrans-87.1-39.3177.558.10000112.7M215 A219 K220 L221M215-S217 VanDerWaalsContact C-N 3.35Å; M215-S217 PolarHBondContact O-N 3.49Å; S217-A219 PolarHBondContact O-N 2.89Å; S217-K220 PolarHBondContact O-N 2.9Å; S217-K220 VanDerWaalsContact O-N 3.14Å; S217-L221 PolarHBondContact O-N 3.48Å
218E51.3Low46Very low87 Ų87119 Ų11941%0.40766%0.661SS.*Hα-helixtrans-66.9-41.4-169-158.3-163.9125.300112.4K220 L221 R222E218-K220 PolarHBondContact O-N 2.81Å; E218-K220 VanDerWaalsContact O-N 3.16Å; E218-L221 PolarHBondContact O-N 2.72Å; E218-R222 HydrophobicContact CG-CG 4.49Å; E218-R222 WeakPolarHBondContact O-CG 3.45Å; E218-R222 PolarHBondContact O-N 3.4Å; E218-R222 WeakPolarHBondContact OE1-CD 3.37Å; E218-R222 IonicContact OE1-CZ 3.61Å; E218-R222 IonicContact OE1-NE 2.78Å; E218-R222 IonicContact OE1-NH1 3.64Å; E218-R222 PolarHBondContact OE1-NH1 3.4Å
219A58.2Low46.9Very low62 Ų62120.7 Ų120.751%0.51266%0.656SS.*Hα-helixtrans-54.9-35175.300000112.5S217 L223S217-A219 PolarHBondContact O-N 2.89Å; A219-L223 PolarHBondContact O-N 3.22Å; A219-L223 VanDerWaalsContact O-N 3.15Å
220K57.1Low47.3Very low168 Ų168122 Ų12273%0.7365%0.648SS**Hα-helixtrans-77.1-25.2178.8-156.9168.469.3-179.60112.9S217 E218 K224S217-K220 PolarHBondContact O-N 2.9Å; S217-K220 VanDerWaalsContact O-N 3.14Å; E218-K220 PolarHBondContact O-N 2.81Å; E218-K220 VanDerWaalsContact O-N 3.16Å; K220-K224 PolarHBondContact O-N 2.88Å
221L60.2Low47.8Very low127 Ų127122.8 Ų122.867%0.66566%0.655SS**Hα-helixtrans-76.5-42.5168.7-99.775.5000111.9S217 E218 L223 K224 A225S217-L221 PolarHBondContact O-N 3.48Å; E218-L221 PolarHBondContact O-N 2.72Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 3.3Å; L221-K224 WeakPolarHBondContact O-CA 3.38Å; L221-K224 VanDerWaalsContact O-CB 3.3Å; L221-K224 WeakPolarHBondContact O-CB 3.4Å; L221-K224 PolarHBondContact O-N 2.89Å; L221-A225 PolarHBondContact O-N 2.98Å
222R59.9Low47.6Very low173 Ų173119 Ų11965%0.65366%0.66SS**Hα-helixtrans-63-38.1-179.6-65.4178.298.9143.5-3.4111.7E218 K224 A225 A226E218-R222 HydrophobicContact CG-CG 4.49Å; E218-R222 WeakPolarHBondContact O-CG 3.45Å; E218-R222 PolarHBondContact O-N 3.4Å; E218-R222 WeakPolarHBondContact OE1-CD 3.37Å; E218-R222 IonicContact OE1-CZ 3.61Å; E218-R222 IonicContact OE1-NE 2.78Å; E218-R222 IonicContact OE1-NH1 3.64Å; E218-R222 PolarHBondContact OE1-NH1 3.4Å; R222-K224 VanDerWaalsContact C-N 3.33Å; R222-K224 PolarHBondContact O-N 3.37Å; R222-A225 PolarHBondContact O-N 3.38Å; R222-A226 WeakPolarHBondContact O-CB 3.33Å; R222-A226 PolarHBondContact O-N 2.74Å
223L55.5Low47.6Very low120 Ų120116.9 Ų116.963%0.62866%0.663SS**Hα-helixtrans-64.6-31.5170.2-108.7157000113.7A219 L221A219-L223 PolarHBondContact O-N 3.22Å; A219-L223 VanDerWaalsContact O-N 3.15Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 3.3Å
224K50.9Low47.7Very low166 Ų166119.9 Ų119.972%0.72267%0.672SS**Hα-helixtrans-72-41.1175.8-16778.2175-175.50111.4K220 L221 R222 L227K220-K224 PolarHBondContact O-N 2.88Å; L221-K224 WeakPolarHBondContact O-CA 3.38Å; L221-K224 VanDerWaalsContact O-CB 3.3Å; L221-K224 WeakPolarHBondContact O-CB 3.4Å; L221-K224 PolarHBondContact O-N 2.89Å; R222-K224 VanDerWaalsContact C-N 3.33Å; R222-K224 PolarHBondContact O-N 3.37Å; K224-L227 PolarHBondContact O-N 2.99Å
225A51.6Low48.5Very low54 Ų54120.8 Ų120.845%0.44668%0.676SS.*Hα-helixtrans-74.1-31.518000000113.5L221 R222 L227 S228L221-A225 PolarHBondContact O-N 2.98Å; R222-A225 PolarHBondContact O-N 3.38Å; A225-L227 PolarHBondContact O-N 3.49Å; A225-S228 PolarHBondContact O-N 3.24Å; A225-S228 PolarHBondContact O-OG 3.06Å
226A49.9Very low48.4Very low68 Ų68121.6 Ų121.656%0.56268%0.683SS**Hα-helixtrans-62.2-27173.800000113R222R222-A226 WeakPolarHBondContact O-CB 3.33Å; R222-A226 PolarHBondContact O-N 2.74Å
227L44.8Very low48.3Very low132 Ų132117.1 Ų117.169%0.69168%0.681SS**THydrogen-bonded Turntrans-90-3.1-178.4-70169.3000114.3K224 A225K224-L227 PolarHBondContact O-N 2.99Å; A225-L227 PolarHBondContact O-N 3.49Å
228S49.4Very low48Very low80 Ų80119.9 Ų119.956%0.55969%0.69SS**SBendtrans-98.51.7-177.852.40000115.2A225A225-S228 PolarHBondContact O-N 3.24Å; A225-S228 PolarHBondContact O-OG 3.06Å
229H44.8Very low47.5Very low157 Ų157124.1 Ų124.173%0.72771%0.712SS**  trans-112.843.2-177.1-74.5-70.2000114.2
230H40.1Very low47.2Very low156 Ų156127.6 Ų127.672%0.72272%0.722SS**  trans-124.8116165.7-60.3-25.4000109.2
231P40.7Very low47Very low133 Ų133124.6 Ų124.686%0.86472%0.722SS**  trans-79.3140.817931.8-33.5000111.4
232G33.3Very low46.8Very low83 Ų83125.6 Ų125.686%0.85673%0.725SS**  trans106.494.3169.800000114.6
233A36.5Very low46.4Very low98 Ų98119.8 Ų119.881%0.8172%0.719SS**  trans-123.6112.1166.400000109.7
234I42.1Very low46.2Very low167 Ų167120.2 Ų120.286%0.85672%0.718SS**  trans-136.3141.4169.8-67.3-64000106.5
235P54.2Low46.1Very low114 Ų114118.8 Ų118.874%0.7472%0.715SS**  trans-101.1157.8-145.637.5-36.5000116.5
236N43.4Very low46.2Very low167 Ų167123.5 Ų123.589%0.89373%0.73SS**  trans5382.4144-170.258.4000118.2
237G40.1Very low46.2Very low70 Ų70126.2 Ų126.272%0.72273%0.731SS**  trans-177.5126.816300000115.3
238N44.1Very low46.6Very low136 Ų136126.6 Ų126.673%0.72773%0.731SS**  trans51.8103.6157.9-163.943.6000119.6N240N238-N240 PolarHBondContact O-N 3.14Å
239M40.5Very low46.6Very low176 Ų176130.9 Ų130.987%0.86774%0.744SS**  trans-91.586.5177.6-68-1727600114.2S241M239-S241 VanDerWaalsContact C-N 3.3Å; M239-S241 PolarHBondContact O-N 3.48Å
240N51.8Low46.7Very low135 Ų135128.1 Ų128.172%0.72274%0.743SS**  trans-90.348.5169.1-81.6-9.6000113N238 M242N238-N240 PolarHBondContact O-N 3.14Å; N240-M242 VanDerWaalsContact C-N 3.26Å; N240-M242 PolarHBondContact O-N 2.89Å
241S53Low46.9Very low105 Ų105126.3 Ų126.373%0.73474%0.743SS**THydrogen-bonded Turntrans-81.862.2-175.5-157.50000113.3M239M239-S241 VanDerWaalsContact C-N 3.3Å; M239-S241 PolarHBondContact O-N 3.48Å
242M55.7Low47.1Very low147 Ų147131.3 Ų131.372%0.72474%0.744SS**THydrogen-bonded Turntrans-140.4-22174.8-172.2161.5-79.200114.1N240 M245N240-M242 VanDerWaalsContact C-N 3.26Å; N240-M242 PolarHBondContact O-N 2.89Å; M242-M245 WeakPolarHBondContact O-CG 3.31Å
243G52.7Low47.5Very low51 Ų51136.2 Ų136.253%0.52675%0.745SS.*SBendtrans-69.9-44.217700000113.6M245 M246G243-M245 VanDerWaalsContact C-N 3.27Å; G243-M245 PolarHBondContact O-N 3.23Å; G243-M245 VanDerWaalsContact O-N 3.17Å; G243-M246 WeakPolarHBondContact O-CB 3.31Å; G243-M246 PolarHBondContact O-N 3.16Å
244H49.7Very low47.3Very low129 Ų129139.8 Ų139.860%0.59775%0.745SS**Hα-helixtrans-65.6-24.6-168.8-162.949.9000114.4M246 E247H244-M246 VanDerWaalsContact C-N 3.28Å; H244-M246 PolarHBondContact O-N 3.48Å; H244-E247 IonicContact CE1-OE2 3.96Å; H244-E247 IonicContact ND1-OE2 3.19Å; H244-E247 PolarHBondContact ND1-OE2 3.49Å
245M48.9Very low47Very low137 Ų137141.4 Ų141.468%0.67575%0.749SS**Hα-helixtrans-73.7-16.8173.155.6172.2-78.300113.8M242 G243M242-M245 WeakPolarHBondContact O-CG 3.31Å; G243-M245 VanDerWaalsContact C-N 3.27Å; G243-M245 PolarHBondContact O-N 3.23Å; G243-M245 VanDerWaalsContact O-N 3.17Å
246M55.3Low45.9Very low153 Ų153139.1 Ų139.175%0.75475%0.746SS**Hα-helixtrans-91.2-24.8-179.7-140.8166.7-169.800112.2G243 H244G243-M246 WeakPolarHBondContact O-CB 3.31Å; G243-M246 PolarHBondContact O-N 3.16Å; H244-M246 VanDerWaalsContact C-N 3.28Å; H244-M246 PolarHBondContact O-N 3.48Å
247E49.7Very low45.2Very low124 Ų124137.1 Ų137.158%0.57975%0.745SS**Hα-helixtrans-73.3-39.8-178.1-170170.7-153.200112.5H244 M249 S250H244-E247 IonicContact CE1-OE2 3.96Å; H244-E247 IonicContact ND1-OE2 3.19Å; H244-E247 PolarHBondContact ND1-OE2 3.49Å; E247-M249 PolarHBondContact O-N 2.95Å; E247-S250 PolarHBondContact O-N 3.2Å
248M52.2Low45Very low141 Ų141142.2 Ų142.270%0.69575%0.75SS**THydrogen-bonded Turntrans-61.1-10.8179.5-76.2-73-154.800115.5
249M50Low44.5Very low169 Ų169145.4 Ų145.483%0.83376%0.76SS**THydrogen-bonded Turntrans-104.9-6.9179.8-55.9-160.28300113.9E247E247-M249 PolarHBondContact O-N 2.95Å
250S46.6Very low44.2Very low100 Ų100145.2 Ų145.270%0.69976%0.757SS**SBendtrans-93.9-6.6-176.6-64.90000114.4E247 R252E247-S250 PolarHBondContact O-N 3.2Å; S250-R252 PolarHBondContact O-N 2.98Å
251T44.4Very low43.3Very low118 Ų118145.1 Ų145.172%0.72475%0.753SS**SBendtrans-97.527.1-168.649.10000114.7
252R44.9Very low42.4Very low237 Ų237149.4 Ų149.489%0.89476%0.761SS**SBendtrans-134.336.6-177.5-149.3178.8-176.6-94.8-0.7116.3S250S250-R252 PolarHBondContact O-N 2.98Å
253Q41.8Very low41.2Very low187 Ų187146.4 Ų146.487%0.87476%0.755SS**  trans-15072.7163.3-165.3167.7400112.7
254E32.7Very low40.3Very low173 Ų173152.4 Ų152.481%0.80877%0.769SS**  trans-154111.8161.6-122.7-67.96700111.4
255Q34.8Very low40.7Very low201 Ų201152.3 Ų152.394%0.93978%0.78SS**  trans178.698.9163.6-113.9-172.376.200107.3
256G31.2Very low40.1Very low66 Ų66154.6 Ų154.668%0.6879%0.788SS**  trans-163.741.1-166.300000117.4
257S29.4Very low39.1Very low125 Ų125154.6 Ų154.687%0.87479%0.786SS**  trans69131.4170.7-65.50000119.1
258H35.7Very low38.3Very low177 Ų177155.8 Ų155.882%0.81979%0.792SS**  trans-76.3154168.4-55.1-104.1000112
259H33Very low37.4Very low202 Ų202154.4 Ų154.494%0.93579%0.786SS**  trans-152.5162.4135.3-87.5-57.6000110
260H33.9Very low36.5Very low173 Ų173154.7 Ų154.780%0.80179%0.786SS**  trans-141.4129-158.4-178.585.9000113.6
261M33.8Very low35.8Very low133 Ų133154 Ų15466%0.65579%0.786SS**  trans57.1118.3158.7-63.9-67.9-85.200121.7
262H32.8Very low36.1Very low195 Ų195154 Ų15490%0.90379%0.788SS**  trans-149.5158.9135.8-121.166.3000110.9
263S30.6Very low36.7Very low83 Ų83147 Ų14758%0.5877%0.773SS**  trans-155.2155.3-166.453.70000115.5
264H34.7Very low36.4Very low178 Ų178146 Ų14682%0.82477%0.768SS**  trans72.4159.8169.3-74.140.9000117.8
265P57.1Low36.3Very low127 Ų127144 Ų14483%0.82577%0.768SS**  cis-129.9-168.4-8.531.3-8.7000115.6
266H38.3Very low36.2Very low185 Ų185144.3 Ų144.386%0.85676%0.762SS**  trans-82.1154.3-178.1-107.6-73000116.9
267Q32.4Very low36.3Very low152 Ų152149.7 Ų149.771%0.7177%0.77SS**  -163.4161.9125-84-132.783.500109.2
268H33.2Very low36.6Very low150 Ų150151.3 Ų151.369%0.69476%0.763SS**  cis113.6153.7-0.8-172.3-113.4000116.2
269L33.4Very low36.6Very low112 Ų112151.5 Ų151.559%0.58676%0.764SS**  trans68.5140.2-168.6-68.9103.3000116.7
270Q32.4Very low36.7Very low175 Ų175144.9 Ų144.982%0.81875%0.75SS**  cis-159.7163.8-16.9-158.515747.400111.6
271A31.7Very low36.7Very low85 Ų85146.1 Ų146.170%0.70276%0.756SS**  trans-105.6-154170.800000109.6
272P50.1Low36.8Very low119 Ų119147.4 Ų147.477%0.77376%0.76SS**  cis-143.7-141.78.440.3-13.9000113.5
273P56.8Low36.8Very low89 Ų89146 Ų14658%0.57875%0.753SS**  -127.5-162.3-6327.8-5.3000115.2
274H36Very low36.9Very low165 Ų165149.8 Ų149.876%0.76476%0.762SS**  trans96.3134162.6-50.4-66.7000116.6
275T31.6Very low36.8Very low133 Ų133145.2 Ų145.282%0.81675%0.75SS**  cis-152.6169-3.40.70000112.4
276Y32.8Very low35.8Very low207 Ų207148.9 Ų148.981%0.81276%0.756SS**  trans-71.6152.6-179.6-91.6-110.4000115.4
277Q31.8Very low35.5Very low179 Ų179143.7 Ų143.784%0.83675%0.752SS**  -156.5141.9124.8-141.6167.11.300114
278H35.9Very low35.9Very low158 Ų158146.2 Ų146.273%0.73176%0.764SS**  trans-83.4151.2171.7-99.4-109.1000111.5
279H36.8Very low35.8Very low182 Ų182142.6 Ų142.684%0.84377%0.767SS**  trans-153.8147.2149.3-94.7100.1000111.5
280G34.7Very low36Very low62 Ų62146.9 Ų146.964%0.63978%0.784SS**  trans-177136.7169.800000111.6
281H33.7Very low36Very low199 Ų199142.4 Ų142.492%0.92178%0.784SS**  trans-156.6-179.9170.5-99.8-53.8000111
282H35.1Very low36.2Very low161 Ų161143 Ų14375%0.74578%0.779SS**  trans-146.2155.8-156.2-136.855.9000112.7
283H32.9Very low35.5Very low165 Ų165145.9 Ų145.976%0.76478%0.782SS**  trans67.4163.5178.9-60.1-68.3000115.8
284H33.8Very low34.5Very low163 Ų163148.9 Ų148.976%0.75579%0.788SS**  cis-152.1168.920.3-163.762.7000115
285S31.5Very low34.5Very low82 Ų82149.3 Ų149.357%0.57379%0.79SS**  trans40.3109.6157.5590000124.1
286Q36.9Very low35.6Very low203 Ų203148.1 Ų148.195%0.94979%0.785SS**  38.3122.9105.7-171174.967.500121
287G32.8Very low35.8Very low76 Ų76147.7 Ų147.778%0.78479%0.79SS**  trans-178.5144.3165.700000114.7
288H40.5Very low35.8Very low206 Ų206141.9 Ų141.995%0.95478%0.778SS**  trans-78.1158.7-172.1-82.4-80000116.5
289G30.8Very low35.8Very low74 Ų74143.7 Ų143.776%0.76379%0.786SS**  trans-155.9148158.700000111.2
290Q37.3Very low35.8Very low202 Ų202141.9 Ų141.994%0.94478%0.783SS**  trans-110.1159.2-174.8-67.6-177.1-3.700113.2
291G33.2Very low36.5Very low80 Ų80144.6 Ų144.683%0.82579%0.789SS**  trans-155.3124.2167.400000111.4
292T35Very low36.7Very low98 Ų98144 Ų14460%0.60179%0.787SS**  trans-97.7152.4-175.150.50000112.6
293H36.2Very low36.9Very low180 Ų180144.2 Ų144.283%0.83379%0.788SS**  trans-164.8170.3148.2-93.2-40.5000113.5
294H35.8Very low36.8Very low152 Ų152143.2 Ų143.270%0.70479%0.788SS**  trans-141.6172.6-150.9-35.6121.7000111.8
295H35.5Very low36.8Very low174 Ų174139.1 Ų139.181%0.80678%0.778SS**  cis-134.5-76.58.2-178.116.6000117.2
296P53.9Low36.9Very low108 Ų108143.7 Ų143.770%0.70179%0.789SS**  trans-128.1165-144.535.3-15000118
297Q38.4Very low36.9Very low198 Ų198141.2 Ų141.293%0.92578%0.783SS**  trans-98.4165.1172.8-175.81575.400111.3
298G30.2Very low37.7Very low56 Ų56142.9 Ų142.958%0.57778%0.78SS**  trans-164.5131.6160.600000112.6
299H36.8Very low37.4Very low196 Ų196141.4 Ų141.491%0.90777%0.773SS**  trans-179.8152.6133.6-97.983.6000110.2
300N37.1Very low37.7Very low145 Ų145145 Ų14578%0.77577%0.774SS**  trans-80.8155.3-171.7-81.8-9.6000114.1
301P50Low37.5Very low119 Ų119143.1 Ų143.177%0.77377%0.769SS**  trans-77.7147.915634.6-32.4000110.6
302H37.3Very low37.8Very low186 Ų186144.8 Ų144.886%0.86177%0.766SS**  trans-124.3128.6162.8-114.9-88000110.4
303H38.6Very low37.5Very low165 Ų165143.3 Ų143.376%0.76477%0.77SS**  trans-94.7133178.7169.3-78.7000109.3
304N32.1Very low37.5Very low144 Ų144143.9 Ų143.977%0.7777%0.773SS**  trans-142139.8155-1567.9000111.2
305S33.2Very low38.1Very low77 Ų77141.5 Ų141.554%0.53877%0.771SS.*  trans-97.1169171.2-173.80000109
306H34.2Very low37.9Very low178 Ų178142.2 Ų142.282%0.82477%0.774SS**  -168.6160.4127.4-101.683.9000110.2
307N35.8Very low36.9Very low152 Ų152145.3 Ų145.381%0.81378%0.779SS**  trans-94164.1-166.3-131.212.9000112.5
308P50.9Low36.6Very low111 Ų111142.7 Ų142.772%0.72178%0.777SS**  trans-86.3165.3-174.936.4-35.4000113.2
309H33.7Very low36.6Very low174 Ų174145 Ų14581%0.80678%0.784SS**  trans-123.6129162.8-151.4-59.2000110.2
310L37.6Very low36.7Very low150 Ų150141.4 Ų141.479%0.78578%0.778SS**  trans-97.7148.8169.3-67.1165000109
311L31.9Very low36.6Very low162 Ų162143 Ų14385%0.84878%0.781SS**  trans-169.9158.7136.6-117.7107.7000109.5
312P40.2Very low36.6Very low116 Ų116142.7 Ų142.775%0.75378%0.779SS**  trans-129.4162.7-155.641.2-26.7000117.6
313G28Very low37Very low66 Ų66139.9 Ų139.968%0.6878%0.777SS**  trans95.8129.814700000117.9
314H35.5Very low36.6Very low193 Ų193140.6 Ų140.689%0.89478%0.783SS**  -177.4163.599.3-97.3-80.3000111.1
315P48.3Very low36.9Very low102 Ų102142.2 Ų142.266%0.66279%0.785SS**  trans-118.9147.6-166.439.4-28.2000116.5
316H33Very low36.7Very low189 Ų189144.3 Ų144.388%0.87580%0.8SS**  trans-144.9138.7154.3-87.5-92.7000107.8
317Q31.5Very low36.6Very low172 Ų172143.6 Ų143.680%0.80480%0.797SS**  cis75.683.826.8-79.2-74.195.500117.2
318T32.9Very low36.3Very low143 Ų143144.3 Ų144.388%0.87780%0.797SS**  trans-154152144.938.30000112
319S30.9Very low35.9Very low106 Ų106144 Ų14474%0.74180%0.798SS**  trans-63.3160.9-170.6-89.70000118.3
320P38.5Very low36.3Very low120 Ų120141.1 Ų141.178%0.77980%0.795SS**  trans-87.3153.5166.936.6-34.2000113.4
321H34.4Very low36.1Very low179 Ų179138.8 Ų138.883%0.82980%0.797SS**  trans-122.7141.6163.4-79.2-100.6000110.2
322P50.8Low36.4Very low112 Ų112137.4 Ų137.473%0.72780%0.795SS**PPolyproline II helixtrans-88.5144.6-177.534.2-34.3000113.1
323P44Very low36.6Very low126 Ų126141.4 Ų141.482%0.81880%0.804SS**PPolyproline II helixtrans-76.9147.1167.332.3-33.6000111.5
324M31.4Very low37.2Very low181 Ų181146 Ų14689%0.89281%0.808SS**PPolyproline II helixtrans-75.4141.8179.5-73-94.375.700112.5S326M324-S326 PolarHBondContact O-N 3.29Å
325H37.7Very low37.4Very low177 Ų177145.3 Ų145.382%0.81981%0.807SS**  trans-84.6107.6178.1-143.7-108.4000110
326S29.4Very low37Very low121 Ų121148 Ų14885%0.84681%0.811SS**  trans-101.1116.2174.6-1630000110.1M324M324-S326 PolarHBondContact O-N 3.29Å
327Q32Very low37.3Very low164 Ų164144.6 Ų144.677%0.76681%0.806SS**  trans-83.3138.6-175.2-65-175.8-2.300111.8
328M30.4Very low37.5Very low167 Ų167142.4 Ų142.482%0.82380%0.804SS**  trans-134.2126159.86596.176.200109
329S40.7Very low38.1Very low104 Ų104143.9 Ų143.973%0.72780%0.801SS**  trans-116.1119.5-170.9-62.50000111
330P42.8Very low38.5Very low114 Ų114144.9 Ų144.974%0.7480%0.803SS**  trans-74.7120.3161.8-12.429000109.4T332P330-T332 PolarHBondContact O-N 3.18Å
331A33.6Very low39Very low101 Ų101146.7 Ų146.784%0.83581%0.805SS**  trans-67.6125.3178.800000111.4Q333A331-Q333 PolarHBondContact O-N 3.34Å
332T37.5Very low39.3Very low133 Ų133147 Ų14782%0.81681%0.807SS**  trans-71.6108.9176.3510000110.7P330 Q334P330-T332 PolarHBondContact O-N 3.18Å; T332-Q334 PolarHBondContact O-N 2.75Å
333Q44.9Very low38.5Very low199 Ų199147.1 Ų147.193%0.9381%0.81SS**  trans-74.6111.3171.5-140.2174.8110.400109.3A331 M335A331-Q333 PolarHBondContact O-N 3.34Å; Q333-M335 PolarHBondContact O-N 3.14Å
334Q41.3Very low38.5Very low163 Ų163146.5 Ų146.576%0.76281%0.806SS**  trans-82.9105.7-167.6-174.7-172.6101.300111.4T332T332-Q334 PolarHBondContact O-N 2.75Å
335M39.9Very low39.2Very low179 Ų179143.4 Ų143.488%0.88280%0.8SS**  trans-93119.8166.3-73.4-71.4-74.700109.4Q333Q333-M335 PolarHBondContact O-N 3.14Å
336Q38.7Very low39.7Very low157 Ų157140 Ų14073%0.73480%0.803SS**  trans-74136.4178.5-63.5-179.15.300111.3T338Q336-T338 PolarHBondContact O-N 2.93Å
337P39.4Very low40.5Very low119 Ų119139.7 Ų139.777%0.77380%0.8SS**  trans-81.7109.1165.631.5-30.1000110Q339P337-Q339 PolarHBondContact O-N 3.36Å
338T36.6Very low41.1Very low126 Ų126134.9 Ų134.977%0.77380%0.795SS**  trans-62.5120.6171-57.70000110.1Q336 T340Q336-T338 PolarHBondContact O-N 2.93Å; T338-T340 PolarHBondContact O-N 2.64Å; T338-T340 VanDerWaalsContact O-N 3.15Å
339Q46.2Very low41.5Very low173 Ų173130.7 Ų130.781%0.80879%0.794SS**  trans-69.4105.9180-71.7-108.888.800111.6P337P337-Q339 PolarHBondContact O-N 3.36Å
340T38.4Very low41.6Very low127 Ų127136.9 Ų136.978%0.77980%0.802SS**  trans-113.9103.3163.246.10000110.2T338 Q342T338-T340 PolarHBondContact O-N 2.64Å; T338-T340 VanDerWaalsContact O-N 3.15Å; T340-Q342 PolarHBondContact O-N 3.1Å
341L48.2Very low42Very low158 Ų158142.6 Ų142.683%0.82781%0.808SS**  trans-68.599.7177.1-80.4155000110.8
342Q40.8Very low42.8Very low186 Ų186149.1 Ų149.187%0.86981%0.811SS**  trans-161.283.7159.3-113.6155101.700111T340 P344T340-Q342 PolarHBondContact O-N 3.1Å; Q342-P344 WeakPolarHBondContact O-CD 3.47Å
343S35.4Very low43.5Very low114 Ų114153.9 Ų153.980%0.79782%0.815SS**PPolyproline II helixtrans-70.2121.8168.351.10000110.2
344P44.2Very low44.2Very low113 Ų113149.1 Ų149.173%0.73480%0.799SS**PPolyproline II helixtrans-59.7143.3167.2-19.632.6000109.7Q342 A346Q342-P344 WeakPolarHBondContact O-CD 3.47Å; P344-A346 PolarHBondContact O-N 3.36Å
345P44.2Very low45.1Very low117 Ų117147.9 Ų147.976%0.7680%0.802SS**PPolyproline II helixtrans-61.4133.1-179.325.1-33.7000110.4S347P345-S347 PolarHBondContact O-N 2.86Å
346A49.2Very low46.2Very low106 Ų106145.9 Ų145.988%0.87680%0.795SS**  trans-70.970.2175.400000110.9P344 G348P344-A346 PolarHBondContact O-N 3.36Å; A346-G348 VanDerWaalsContact C-N 3.34Å; A346-G348 PolarHBondContact O-N 3.26Å
347S45.6Very low47.7Very low114 Ų114141.5 Ų141.580%0.79777%0.774SS**  trans-63.897.6170.1-1710000107.8P345 G349P345-S347 PolarHBondContact O-N 2.86Å; S347-G349 PolarHBondContact O-N 3.24Å
348G44.7Very low50Low63 Ų63139.6 Ų139.665%0.64976%0.758SS**  trans-50.5126.8-171.900000110.4A346 R350A346-G348 VanDerWaalsContact C-N 3.34Å; A346-G348 PolarHBondContact O-N 3.26Å; G348-R350 PolarHBondContact O-N 3.09Å
349G40.2Very low52.6Low79 Ų79138.1 Ų138.181%0.81475%0.751SS**  trans-67.464.6-168.500000114.4S347 R351S347-G349 PolarHBondContact O-N 3.24Å; G349-R351 PolarHBondContact O-N 3.43Å
350R42.4Very low54.9Low233 Ų233134.8 Ų134.888%0.87974%0.738SS**  trans-45.9110.6164.7-179.3-172.6-164.5-139.47.2106.1G348 R352G348-R350 PolarHBondContact O-N 3.09Å; R350-R352 PolarHBondContact O-N 3.49Å
351R50.8Low57.5Low234 Ų234131.6 Ų131.688%0.88371%0.714SS**  trans-42.8107.6-173-63.3-175.6-174.4-158.82.2108.5G349 R353G349-R351 PolarHBondContact O-N 3.43Å; R351-R353 PolarHBondContact O-N 2.84Å
352R50.6Low59.7Low238 Ų238130.3 Ų130.390%0.89870%0.698SS**  trans-61101161.5-85.2-172.5174.9-179.6-1.1103.5R350 V354R350-R352 PolarHBondContact O-N 3.49Å; R352-V354 VanDerWaalsContact C-N 3.27Å; R352-V354 PolarHBondContact O-N 3.48Å
353R52.4Low62.3Low234 Ų234128.8 Ų128.888%0.88369%0.685SS**  trans-54.8109.3157.3-62.8-170.6-149.2-168.27102.9R351 V355R351-R353 PolarHBondContact O-N 2.84Å; R353-V355 PolarHBondContact O-N 3Å; R353-V355 VanDerWaalsContact O-N 3.12Å
354V57.9Low65.3Low98 Ų98131.2 Ų131.259%0.59468%0.676SS**  trans-51.8122.6169.2177.50000104.3R352 D356 E357R352-V354 VanDerWaalsContact C-N 3.27Å; R352-V354 PolarHBondContact O-N 3.48Å; V354-D356 WeakPolarHBondContact O-CA 3.43Å; V354-D356 PolarHBondContact O-N 2.95Å; V354-D356 VanDerWaalsContact O-N 3.1Å; V354-E357 HydrophobicContact CG1-CB 4Å; V354-E357 HydrophobicContact CG1-CG 3.77Å
355V61.5Low67.8Low137 Ų137128.7 Ų128.783%0.8365%0.654SS**SBendtrans-49122.5174.7171.80000105.9R353 E357R353-V355 PolarHBondContact O-N 3Å; R353-V355 VanDerWaalsContact O-N 3.12Å; V355-E357 PolarHBondContact O-N 3.28Å
356D61.8Low70.3Confident138 Ų138129.5 Ų129.574%0.73865%0.646SS**  trans-55.498-145.7-153.7-0.1000111.3V354 D358V354-D356 WeakPolarHBondContact O-CA 3.43Å; V354-D356 PolarHBondContact O-N 2.95Å; V354-D356 VanDerWaalsContact O-N 3.1Å; D356-D358 VanDerWaalsContact C-N 3.33Å; D356-D358 PolarHBondContact O-N 3.49Å
357E70.6Confident72.6Confident64 Ų64128.2 Ų128.230%0.29962%0.624SS.*  trans-71.697.8-174.1-103.7-109.7176.900105.8V354 V355 R362 K365V354-E357 HydrophobicContact CG1-CB 4Å; V354-E357 HydrophobicContact CG1-CG 3.77Å; V355-E357 PolarHBondContact O-N 3.28Å; E357-R362 PolarHBondContact O-NE 2.99Å; E357-R362 PolarHBondContact O-NH2 3.43Å; E357-K365 IonicContact OE1-NZ 2.65Å; E357-K365 PolarHBondContact OE1-NZ 3.32Å; E357-K365 IonicContact OE2-NZ 3.56Å; E357-K365 PolarHBondContact OE2-NZ 3.42Å
358D89.1Confident75.1Confident80 Ų80127.4 Ų127.443%0.42861%0.607SS.*  trans-29.3122.9-176.4160.140.9000110.6D356 D360 E361 R362D356-D358 VanDerWaalsContact C-N 3.33Å; D356-D358 PolarHBondContact O-N 3.49Å; D358-D360 PolarHBondContact O-N 3.3Å; D358-D360 VanDerWaalsContact O-N 3.08Å; D358-D360 PolarHBondContact OD1-N 2.73Å; D358-D360 VanDerWaalsContact OD1-N 3.13Å; D358-E361 HydrophobicContact CB-CB 4.17Å; D358-E361 PolarHBondContact O-N 2.76Å; D358-E361 PolarHBondContact OD2-N 2.72Å; D358-R362 PolarHBondContact O-N 3.47Å
359P91.2Very high77.7Confident95 Ų95132.3 Ų132.362%0.61761%0.606SS**Hα-helixtrans-53.8-32.2-177.420.7-33.1000112.6R363P359-R363 WeakPolarHBondContact O-CB 3.36Å; P359-R363 PolarHBondContact O-N 3.21Å
360D92.9Very high80.4Confident102 Ų102132.9 Ų132.955%0.54559%0.591SS.*Hα-helixtrans-74.9-39.8176-87.4-40.2000113.1D358 R362 R363 R364D358-D360 PolarHBondContact O-N 3.3Å; D358-D360 VanDerWaalsContact O-N 3.08Å; D358-D360 PolarHBondContact OD1-N 2.73Å; D358-D360 VanDerWaalsContact OD1-N 3.13Å; D360-R362 PolarHBondContact O-N 2.92Å; D360-R363 CarbonylContact O-C 3.6Å; D360-R363 WeakPolarHBondContact O-CB 3.33Å; D360-R363 PolarHBondContact O-N 2.91Å; D360-R364 WeakPolarHBondContact O-CB 3.42Å; D360-R364 PolarHBondContact O-N 3.39Å
361E94.4Very high83.1Confident60 Ų60128.9 Ų128.928%0.2858%0.575SS.*Hα-helixtrans-63-40.7169.1179.9163-13300112.1D358 R363 R364 K365D358-E361 HydrophobicContact CB-CB 4.17Å; D358-E361 PolarHBondContact O-N 2.76Å; D358-E361 PolarHBondContact OD2-N 2.72Å; E361-R363 VanDerWaalsContact C-N 3.28Å; E361-R363 PolarHBondContact O-N 3Å; E361-R364 WeakPolarHBondContact O-CB 3.4Å; E361-R364 PolarHBondContact O-N 2.98Å; E361-R364 IonicContact OE1-CZ 3.91Å; E361-R364 IonicContact OE1-NE 3.52Å; E361-R364 IonicContact OE1-NH2 2.73Å; E361-R364 PolarHBondContact OE1-NH2 3.5Å; E361-K365 HydrophobicContact CG-CD 3.87Å; E361-K365 VanDerWaalsContact CG-CE 3.4Å; E361-K365 HydrophobicContact CG-CG 4.23Å; E361-K365 VanDerWaalsContact CG-NZ 3.35Å; E361-K365 WeakPolarHBondContact O-CB 3.39Å; E361-K365 WeakPolarHBondContact O-CG 3.36Å; E361-K365 PolarHBondContact O-N 3.42Å; E361-K365 VanDerWaalsContact OE1-CE 3.23Å; E361-K365 WeakPolarHBondContact OE1-CE 3.31Å; E361-K365 IonicContact OE1-NZ 3.38Å; E361-K365 PolarHBondContact OE1-NZ 3.25Å; E361-K365 IonicContact OE2-NZ 3.81Å; E361-K365 PolarHBondContact OE2-NZ 3.42Å
362R93.8Very high85.4Confident131 Ų131119.3 Ų119.349%0.49455%0.547SS..Hα-helixtrans-61.1-41.4175.5-166.3179.9-52.6174.911.8111E357 D358 D360 K365 F366E357-R362 PolarHBondContact O-NE 2.99Å; E357-R362 PolarHBondContact O-NH2 3.43Å; D358-R362 PolarHBondContact O-N 3.47Å; D360-R362 PolarHBondContact O-N 2.92Å; R362-K365 PolarHBondContact O-N 3.13Å; R362-F366 PolarHBondContact O-N 3.34Å
363R96Very high87.7Confident155 Ų155110 Ų11059%0.58552%0.521SS*.Hα-helixtrans-64.5-42.9174.4-173.8171.2-179-92.3-2.9111.7P359 D360 E361 F366 L367P359-R363 WeakPolarHBondContact O-CB 3.36Å; P359-R363 PolarHBondContact O-N 3.21Å; D360-R363 CarbonylContact O-C 3.6Å; D360-R363 WeakPolarHBondContact O-CB 3.33Å; D360-R363 PolarHBondContact O-N 2.91Å; E361-R363 VanDerWaalsContact C-N 3.28Å; E361-R363 PolarHBondContact O-N 3Å; R363-F366 PolarHBondContact O-N 2.78Å; R363-L367 HydrophobicContact CG-CD1 4.14Å; R363-L367 WeakPolarHBondContact O-CB 3.33Å; R363-L367 WeakPolarHBondContact O-CG 3.32Å; R363-L367 PolarHBondContact O-N 3.32Å
364R96.9Very high89.9Confident164 Ų164100.6 Ų100.662%0.61949%0.493SS*.Hα-helixtrans-56.9-50.5172.1-178.6175.577.9154.30.6111.4D360 E361 F366 L367 E368D360-R364 WeakPolarHBondContact O-CB 3.42Å; D360-R364 PolarHBondContact O-N 3.39Å; E361-R364 WeakPolarHBondContact O-CB 3.4Å; E361-R364 PolarHBondContact O-N 2.98Å; E361-R364 IonicContact OE1-CZ 3.91Å; E361-R364 IonicContact OE1-NE 3.52Å; E361-R364 IonicContact OE1-NH2 2.73Å; E361-R364 PolarHBondContact OE1-NH2 3.5Å; R364-F366 VanDerWaalsContact C-N 3.28Å; R364-F366 PolarHBondContact O-N 3.29Å; R364-L367 PolarHBondContact O-N 3.04Å; R364-E368 PolarHBondContact O-N 3.22Å
365K97Very high91.8Very high61 Ų6199.9 Ų99.927%0.26549%0.489SS..Hα-helixtrans-62.6-31.4177-70.6167.5-179.4156.90112.1E357 E361 R362 R369E357-K365 IonicContact OE1-NZ 2.65Å; E357-K365 PolarHBondContact OE1-NZ 3.32Å; E357-K365 IonicContact OE2-NZ 3.56Å; E357-K365 PolarHBondContact OE2-NZ 3.42Å; E361-K365 HydrophobicContact CG-CD 3.87Å; E361-K365 VanDerWaalsContact CG-CE 3.4Å; E361-K365 HydrophobicContact CG-CG 4.23Å; E361-K365 VanDerWaalsContact CG-NZ 3.35Å; E361-K365 WeakPolarHBondContact O-CB 3.39Å; E361-K365 WeakPolarHBondContact O-CG 3.36Å; E361-K365 PolarHBondContact O-N 3.42Å; E361-K365 VanDerWaalsContact OE1-CE 3.23Å; E361-K365 WeakPolarHBondContact OE1-CE 3.31Å; E361-K365 IonicContact OE1-NZ 3.38Å; E361-K365 PolarHBondContact OE1-NZ 3.25Å; E361-K365 IonicContact OE2-NZ 3.81Å; E361-K365 PolarHBondContact OE2-NZ 3.42Å; R362-K365 PolarHBondContact O-N 3.13Å; K365-R369 VanDerWaalsContact C-NH1 3.25Å; K365-R369 WeakPolarHBondContact O-CG 3.44Å; K365-R369 PolarHBondContact O-NH1 2.97Å
366F97.1Very high93.6Very high133 Ų133101 Ų10158%0.58348%0.478SS*.Hα-helixtrans-73-49.8172.8178.1-95.6000112.2R362 R363 R364 E368 R369 N370R362-F366 PolarHBondContact O-N 3.34Å; R363-F366 PolarHBondContact O-N 2.78Å; R364-F366 VanDerWaalsContact C-N 3.28Å; R364-F366 PolarHBondContact O-N 3.29Å; F366-E368 VanDerWaalsContact C-N 3.27Å; F366-E368 PolarHBondContact O-N 3.5Å; F366-R369 PolarHBondContact O-N 2.91Å; F366-N370 PolarHBondContact O-N 3.38Å
367L98.1Very high95.3Very high79 Ų7998.7 Ų98.741%0.41447%0.471SS..Hα-helixtrans-58.6-37.9-179.6-73170.2000112.1R363 R364 N370 R371R363-L367 HydrophobicContact CG-CD1 4.14Å; R363-L367 WeakPolarHBondContact O-CB 3.33Å; R363-L367 WeakPolarHBondContact O-CG 3.32Å; R363-L367 PolarHBondContact O-N 3.32Å; R364-L367 PolarHBondContact O-N 3.04Å; L367-N370 WeakPolarHBondContact O-CB 3.32Å; L367-N370 PolarHBondContact O-N 2.94Å; L367-R371 PolarHBondContact O-N 2.95Å
368E98.1Very high96.7Very high98 Ų98104.9 Ų104.946%0.45849%0.492SS..Hα-helixtrans-73-36.3178.9-16349.7-133.500112.8R364 F366 N370 R371 A372R364-E368 PolarHBondContact O-N 3.22Å; F366-E368 VanDerWaalsContact C-N 3.27Å; F366-E368 PolarHBondContact O-N 3.5Å; E368-N370 VanDerWaalsContact C-N 3.3Å; E368-N370 PolarHBondContact O-N 2.95Å; E368-R371 PolarHBondContact O-N 3.45Å; E368-R371 WeakPolarHBondContact OE1-CD 3.26Å; E368-R371 IonicContact OE1-NE 2.61Å; E368-R371 IonicContact OE2-CZ 3.83Å; E368-R371 IonicContact OE2-NE 2.67Å; E368-R371 PolarHBondContact OE2-NE 3.1Å; E368-R371 IonicContact OE2-NH2 2.74Å; E368-A372 WeakPolarHBondContact O-CB 3.33Å; E368-A372 PolarHBondContact O-N 3.07Å
369R98.3Very high97.1Very high166 Ų166106.1 Ų106.163%0.62650%0.495SS*.Hα-helixtrans-62.7-38.3169.4-69.1-179.6-164105.2-12.8111.6K365 F366 A373K365-R369 VanDerWaalsContact C-NH1 3.25Å; K365-R369 WeakPolarHBondContact O-CG 3.44Å; K365-R369 PolarHBondContact O-NH1 2.97Å; F366-R369 PolarHBondContact O-N 2.91Å; R369-A373 WeakPolarHBondContact O-CB 3.43Å; R369-A373 PolarHBondContact O-N 2.78Å
370N98.4Very high97.5Very high90 Ų90109.6 Ų109.648%0.48150%0.501SS..Hα-helixtrans-65.6-45.6175-175.7-83.3000111.5F366 L367 E368 A372 A373 A374F366-N370 PolarHBondContact O-N 3.38Å; L367-N370 WeakPolarHBondContact O-CB 3.32Å; L367-N370 PolarHBondContact O-N 2.94Å; E368-N370 VanDerWaalsContact C-N 3.3Å; E368-N370 PolarHBondContact O-N 2.95Å; N370-A372 PolarHBondContact O-N 2.74Å; N370-A373 PolarHBondContact O-N 3.21Å; N370-A373 VanDerWaalsContact O-N 3.15Å; N370-A374 WeakPolarHBondContact O-CB 3.33Å; N370-A374 PolarHBondContact O-N 3.37Å
371R98.7Very high97.8Very high149 Ų149113.1 Ų113.156%0.56251%0.506SS*.Hα-helixtrans-55.2-50.2174-168.2-167-52.4-81.3-0.9111.2L367 E368 A373 A374 T375L367-R371 PolarHBondContact O-N 2.95Å; E368-R371 PolarHBondContact O-N 3.45Å; E368-R371 WeakPolarHBondContact OE1-CD 3.26Å; E368-R371 IonicContact OE1-NE 2.61Å; E368-R371 IonicContact OE2-CZ 3.83Å; E368-R371 IonicContact OE2-NE 2.67Å; E368-R371 PolarHBondContact OE2-NE 3.1Å; E368-R371 IonicContact OE2-NH2 2.74Å; R371-A373 VanDerWaalsContact C-N 3.34Å; R371-A373 PolarHBondContact O-N 3.49Å; R371-A374 PolarHBondContact O-N 2.95Å; R371-T375 PolarHBondContact O-N 3.42Å; R371-T375 PolarHBondContact O-OG1 3.05Å
372A98.4Very high98Very high34 Ų34116.2 Ų116.228%0.28152%0.519SS..Hα-helixtrans-62.7-38.2177.700000112.6E368 N370 R376E368-A372 WeakPolarHBondContact O-CB 3.33Å; E368-A372 PolarHBondContact O-N 3.07Å; N370-A372 PolarHBondContact O-N 2.74Å; A372-R376 WeakPolarHBondContact O-CG 3.07Å; A372-R376 PolarHBondContact O-N 2.91Å
373A98.4Very high98.2Very high43 Ų43114.1 Ų114.136%0.35552%0.521SS..Hα-helixtrans-67.5-42.517500000112.4R369 N370 R371 R376 C377R369-A373 WeakPolarHBondContact O-CB 3.43Å; R369-A373 PolarHBondContact O-N 2.78Å; N370-A373 PolarHBondContact O-N 3.21Å; N370-A373 VanDerWaalsContact O-N 3.15Å; R371-A373 VanDerWaalsContact C-N 3.34Å; R371-A373 PolarHBondContact O-N 3.49Å; A373-R376 PolarHBondContact O-N 3.37Å; A373-C377 WeakPolarHBondContact O-CB 3.35Å; A373-C377 PolarHBondContact O-N 2.99Å
374A98.6Very high98.3Very high35 Ų35114.3 Ų114.329%0.28952%0.521SS..Hα-helixtrans-62.9-42.3175.900000111.6N370 R371 C377 R378N370-A374 WeakPolarHBondContact O-CB 3.33Å; N370-A374 PolarHBondContact O-N 3.37Å; R371-A374 PolarHBondContact O-N 2.95Å; A374-C377 PolarHBondContact O-N 2.88Å; A374-R378 WeakPolarHBondContact O-CB 3.41Å; A374-R378 VanDerWaalsContact O-CG 3.3Å; A374-R378 WeakPolarHBondContact O-CG 3.35Å; A374-R378 PolarHBondContact O-N 3.42Å
375T98.6Very high98.4Very high84 Ų84108.9 Ų108.952%0.51551%0.506SS..Hα-helixtrans-61.7-45.7173.6-63.60000111.6R371 C377 R378 Q379R371-T375 PolarHBondContact O-N 3.42Å; R371-T375 PolarHBondContact O-OG1 3.05Å; T375-C377 PolarHBondContact O-N 3.14Å; T375-R378 PolarHBondContact O-N 3.46Å; T375-Q379 WeakPolarHBondContact O-CB 3.48Å; T375-Q379 PolarHBondContact O-N 3.12Å
376R98.7Very high98.5Very high161 Ų161111.2 Ų111.261%0.60852%0.519SS*.Hα-helixtrans-62.8-39.1175-73.5-172-60.7-91.80.7112.7A372 A373 Q379 K380A372-R376 WeakPolarHBondContact O-CG 3.07Å; A372-R376 PolarHBondContact O-N 2.91Å; A373-R376 PolarHBondContact O-N 3.37Å; R376-Q379 PolarHBondContact O-N 3.28Å; R376-K380 WeakPolarHBondContact O-CB 3.21Å; R376-K380 PolarHBondContact O-N 2.93Å
377C98.8Very high98.6Very high88 Ų88108.4 Ų108.460%0.59552%0.516SS*.Hα-helixtrans-62.8-49.3175.8-177.80000111.5A373 A374 T375 Q379 K380 R381A373-C377 WeakPolarHBondContact O-CB 3.35Å; A373-C377 PolarHBondContact O-N 2.99Å; A374-C377 PolarHBondContact O-N 2.88Å; T375-C377 PolarHBondContact O-N 3.14Å; C377-Q379 VanDerWaalsContact C-N 3.34Å; C377-Q379 PolarHBondContact O-N 2.9Å; C377-K380 PolarHBondContact O-N 3.44Å; C377-R381 PolarHBondContact O-N 3.07Å
378R98.8Very high98.6Very high194 Ų194109 Ų10973%0.73252%0.52SS*.Hα-helixtrans-60.3-42175.6-70.9171.8-178.7-170.9-0.3111.9A374 T375 R381 K382A374-R378 WeakPolarHBondContact O-CB 3.41Å; A374-R378 VanDerWaalsContact O-CG 3.3Å; A374-R378 WeakPolarHBondContact O-CG 3.35Å; A374-R378 PolarHBondContact O-N 3.42Å; T375-R378 PolarHBondContact O-N 3.46Å; R378-R381 PolarHBondContact O-N 3.26Å; R378-K382 PolarHBondContact O-N 2.67Å
379Q98.8Very high98.6Very high106 Ų106109.4 Ų109.450%0.49552%0.522SS..Hα-helixtrans-66-44.8177-168.465-9300111.8T375 R376 C377 R381 K382 V383T375-Q379 WeakPolarHBondContact O-CB 3.48Å; T375-Q379 PolarHBondContact O-N 3.12Å; R376-Q379 PolarHBondContact O-N 3.28Å; C377-Q379 VanDerWaalsContact C-N 3.34Å; C377-Q379 PolarHBondContact O-N 2.9Å; Q379-R381 VanDerWaalsContact C-N 3.31Å; Q379-R381 PolarHBondContact O-N 3.04Å; Q379-K382 PolarHBondContact O-N 3.21Å; Q379-V383 WeakPolarHBondContact O-CG2 3.36Å; Q379-V383 PolarHBondContact O-N 3.27Å
380K98.7Very high98.7Very high168 Ų168107.1 Ų107.173%0.7352%0.516SS*.Hα-helixtrans-59.5-41.3174.9-172.9177.6179.6-178.30111.5R376 C377 W384R376-K380 WeakPolarHBondContact O-CB 3.21Å; R376-K380 PolarHBondContact O-N 2.93Å; C377-K380 PolarHBondContact O-N 3.44Å; K380-W384 WeakPolarHBondContact O-CB 3.45Å; K380-W384 PolarHBondContact O-N 2.84Å
381R98.7Very high98.7Very high176 Ų176107.4 Ų107.466%0.66451%0.513SS*.Hα-helixtrans-64.9-41.4174.7-173.2171.9179.1162.40112.1C377 R378 Q379 W384 V385C377-R381 PolarHBondContact O-N 3.07Å; R378-R381 PolarHBondContact O-N 3.26Å; Q379-R381 VanDerWaalsContact C-N 3.31Å; Q379-R381 PolarHBondContact O-N 3.04Å; R381-W384 PolarHBondContact O-N 3.06Å; R381-V385 HydrophobicContact CG-CG2 4.45Å; R381-V385 WeakPolarHBondContact O-CG2 3.42Å; R381-V385 PolarHBondContact O-N 2.95Å
382K98.8Very high98.7Very high126 Ų126103 Ų10355%0.54851%0.508SS..Hα-helixtrans-59.5-52.2174.6173.6174.6-75.1-159.10111.4R378 Q379 W384 V385 M386R378-K382 PolarHBondContact O-N 2.67Å; Q379-K382 PolarHBondContact O-N 3.21Å; K382-W384 VanDerWaalsContact C-N 3.29Å; K382-W384 PolarHBondContact O-N 3Å; K382-V385 PolarHBondContact O-N 3.02Å; K382-M386 HydrophobicContact CD-SD 4.17Å; K382-M386 HydrophobicContact CG-CG 4.34Å; K382-M386 HydrophobicContact CG-SD 3.73Å; K382-M386 WeakPolarHBondContact O-CG 3.27Å; K382-M386 PolarHBondContact O-N 2.96Å
383V98.6Very high98.7Very high87 Ų87107.7 Ų107.753%0.52752%0.524SS..Hα-helixtrans-61-39179.8173.60000111.4Q379 S387Q379-V383 WeakPolarHBondContact O-CG2 3.36Å; Q379-V383 PolarHBondContact O-N 3.27Å; V383-S387 VanDerWaalsContact O-CB 3.32Å; V383-S387 WeakPolarHBondContact O-CB 3.25Å; V383-S387 PolarHBondContact O-N 3.23Å
384W98.6Very high98.7Very high158 Ų158108.6 Ų108.660%0.59852%0.521SS*.Hα-helixtrans-64.5-45.6175.3178.558.6000112.6K380 R381 K382 S387 L388K380-W384 WeakPolarHBondContact O-CB 3.45Å; K380-W384 PolarHBondContact O-N 2.84Å; R381-W384 PolarHBondContact O-N 3.06Å; K382-W384 VanDerWaalsContact C-N 3.29Å; K382-W384 PolarHBondContact O-N 3Å; W384-S387 WeakPolarHBondContact O-CB 3.48Å; W384-S387 PolarHBondContact O-N 3.22Å; W384-L388 HydrophobicContact CD2-CD1 4.15Å; W384-L388 HydrophobicContact CH2-CD1 4.29Å; W384-L388 HydrophobicContact CZ2-CD1 3.78Å; W384-L388 WeakPolarHBondContact O-CG 3.27Å; W384-L388 PolarHBondContact O-N 2.96Å
385V98.8Very high98.7Very high50 Ų50111.7 Ų111.730%0.30353%0.532SS..Hα-helixtrans-61.5-49.2175.7169.60000111R381 K382 S387 L388 E389R381-V385 HydrophobicContact CG-CG2 4.45Å; R381-V385 WeakPolarHBondContact O-CG2 3.42Å; R381-V385 PolarHBondContact O-N 2.95Å; K382-V385 PolarHBondContact O-N 3.02Å; V385-S387 PolarHBondContact O-N 3.39Å; V385-L388 WeakPolarHBondContact O-CA 3.46Å; V385-L388 WeakPolarHBondContact O-CB 3.45Å; V385-L388 PolarHBondContact O-N 3.39Å; V385-E389 HydrophobicContact CG1-CG 4.23Å; V385-E389 WeakPolarHBondContact CG1-OE1 3.26Å; V385-E389 WeakPolarHBondContact O-CG 3.28Å; V385-E389 PolarHBondContact O-N 3.43Å
386M98.6Very high98.7Very high110 Ų110112 Ų11254%0.54253%0.534SS..Hα-helixtrans-58.9-33.7176.1-68.9175.366.400112.9K382 E389 K390K382-M386 HydrophobicContact CD-SD 4.17Å; K382-M386 HydrophobicContact CG-CG 4.34Å; K382-M386 HydrophobicContact CG-SD 3.73Å; K382-M386 WeakPolarHBondContact O-CG 3.27Å; K382-M386 PolarHBondContact O-N 2.96Å; M386-E389 WeakPolarHBondContact CA-OE2 3.48Å; M386-K390 WeakPolarHBondContact O-CB 3.42Å; M386-K390 PolarHBondContact O-N 2.95Å
387S98.8Very high98.7Very high74 Ų74110.2 Ų110.252%0.51753%0.533SS..Hα-helixtrans-71.4-28.8175-172.20000113.1V383 W384 V385 K391V383-S387 VanDerWaalsContact O-CB 3.32Å; V383-S387 WeakPolarHBondContact O-CB 3.25Å; V383-S387 PolarHBondContact O-N 3.23Å; W384-S387 WeakPolarHBondContact O-CB 3.48Å; W384-S387 PolarHBondContact O-N 3.22Å; V385-S387 PolarHBondContact O-N 3.39Å; S387-K391 WeakPolarHBondContact O-CB 3.48Å; S387-K391 PolarHBondContact O-N 2.98Å
388L98.8Very high98.7Very high93 Ų93109 Ų10949%0.48752%0.523SS..Hα-helixtrans-79.1-42.6174.6-69173.8000111.1W384 V385 K391 A392W384-L388 HydrophobicContact CD2-CD1 4.15Å; W384-L388 HydrophobicContact CH2-CD1 4.29Å; W384-L388 HydrophobicContact CZ2-CD1 3.78Å; W384-L388 WeakPolarHBondContact O-CG 3.27Å; W384-L388 PolarHBondContact O-N 2.96Å; V385-L388 WeakPolarHBondContact O-CA 3.46Å; V385-L388 WeakPolarHBondContact O-CB 3.45Å; V385-L388 PolarHBondContact O-N 3.39Å; L388-K391 PolarHBondContact O-N 3.23Å; L388-K391 VanDerWaalsContact O-N 3.14Å; L388-A392 PolarHBondContact O-N 3.25Å
389E98.8Very high98.7Very high106 Ų106104 Ų10450%0.49551%0.51SS..Hα-helixtrans-55.3-54.1173.7-69.8166.9154.600110.1V385 M386 K391 A392 E393V385-E389 HydrophobicContact CG1-CG 4.23Å; V385-E389 WeakPolarHBondContact CG1-OE1 3.26Å; V385-E389 WeakPolarHBondContact O-CG 3.28Å; V385-E389 PolarHBondContact O-N 3.43Å; M386-E389 WeakPolarHBondContact CA-OE2 3.48Å; E389-K391 VanDerWaalsContact C-N 3.29Å; E389-K391 PolarHBondContact O-N 3.37Å; E389-A392 WeakPolarHBondContact O-CB 3.38Å; E389-A392 PolarHBondContact O-N 3.36Å; E389-A392 VanDerWaalsContact O-N 3.12Å; E389-E393 WeakPolarHBondContact O-CG 3.38Å; E389-E393 PolarHBondContact O-N 3.13Å
390K98.8Very high98.7Very high118 Ų118103.9 Ų103.951%0.51351%0.511SS..Hα-helixtrans-58.4-36.6174.9-174.5174.4-174.1-77.20113.3M386 E393 E394M386-K390 WeakPolarHBondContact O-CB 3.42Å; M386-K390 PolarHBondContact O-N 2.95Å; K390-E393 PolarHBondContact O-N 2.91Å; K390-E394 IonicContact NZ-OE1 3.55Å; K390-E394 PolarHBondContact NZ-OE1 2.91Å; K390-E394 WeakPolarHBondContact O-CB 3.46Å; K390-E394 WeakPolarHBondContact O-CG 3.45Å; K390-E394 PolarHBondContact O-N 3.33Å
391K98.6Very high98.7Very high96 Ų96100.7 Ų100.742%0.41750%0.499SS..Hα-helixtrans-70.8-33.6178.8-167.966.8-125.6170.60111.9S387 L388 E389 E394 L395S387-K391 WeakPolarHBondContact O-CB 3.48Å; S387-K391 PolarHBondContact O-N 2.98Å; L388-K391 PolarHBondContact O-N 3.23Å; L388-K391 VanDerWaalsContact O-N 3.14Å; E389-K391 VanDerWaalsContact C-N 3.29Å; E389-K391 PolarHBondContact O-N 3.37Å; K391-E394 WeakPolarHBondContact CE-OE2 3.34Å; K391-E394 IonicContact NZ-OE2 2.66Å; K391-E394 PolarHBondContact NZ-OE2 3.17Å; K391-L395 HydrophobicContact CG-CD1 4.33Å; K391-L395 WeakPolarHBondContact O-CB 3.32Å; K391-L395 VanDerWaalsContact O-CG 3.26Å; K391-L395 WeakPolarHBondContact O-CG 3.48Å; K391-L395 PolarHBondContact O-N 2.61Å
392A98.8Very high98.7Very high55 Ų5597.1 Ų97.146%0.45549%0.493SS..Hα-helixtrans-69.2-40.3172.600000111.7L388 E389 L395 T396L388-A392 PolarHBondContact O-N 3.25Å; E389-A392 WeakPolarHBondContact O-CB 3.38Å; E389-A392 PolarHBondContact O-N 3.36Å; E389-A392 VanDerWaalsContact O-N 3.12Å; A392-L395 PolarHBondContact O-N 2.8Å; A392-T396 WeakPolarHBondContact O-CB 3.44Å; A392-T396 PolarHBondContact O-N 2.92Å; A392-T396 PolarHBondContact O-OG1 2.89Å
393E98.8Very high98.7Very high133 Ų13396.1 Ų96.162%0.62149%0.49SS*.Hα-helixtrans-59.9-50.4172.3-68.7171.3167.500111.6E389 K390 L395 T396 Q397E389-E393 WeakPolarHBondContact O-CG 3.38Å; E389-E393 PolarHBondContact O-N 3.13Å; K390-E393 PolarHBondContact O-N 2.91Å; E393-L395 PolarHBondContact O-N 3.4Å; E393-T396 PolarHBondContact O-N 3.45Å; E393-Q397 PolarHBondContact O-N 2.86Å
394E98.8Very high98.7Very high63 Ų6396.2 Ų96.229%0.29449%0.487SS..Hα-helixtrans-55.5-48.8175.6-77.3172.4-165.300112K390 K391 T396 Q397 T398K390-E394 IonicContact NZ-OE1 3.55Å; K390-E394 PolarHBondContact NZ-OE1 2.91Å; K390-E394 WeakPolarHBondContact O-CB 3.46Å; K390-E394 WeakPolarHBondContact O-CG 3.45Å; K390-E394 PolarHBondContact O-N 3.33Å; K391-E394 WeakPolarHBondContact CE-OE2 3.34Å; K391-E394 IonicContact NZ-OE2 2.66Å; K391-E394 PolarHBondContact NZ-OE2 3.17Å; E394-T396 VanDerWaalsContact C-N 3.34Å; E394-T396 PolarHBondContact O-N 3.44Å; E394-Q397 PolarHBondContact O-N 3.3Å; E394-T398 PolarHBondContact O-N 3.37Å; E394-T398 PolarHBondContact O-OG1 3.02Å
395L98.8Very high98.7Very high99 Ų9993.5 Ų93.552%0.51848%0.481SS..Hα-helixtrans-65.2-38.1-179.8-73.7169.7000112K391 A392 E393 T398 N399K391-L395 HydrophobicContact CG-CD1 4.33Å; K391-L395 WeakPolarHBondContact O-CB 3.32Å; K391-L395 VanDerWaalsContact O-CG 3.26Å; K391-L395 WeakPolarHBondContact O-CG 3.48Å; K391-L395 PolarHBondContact O-N 2.61Å; A392-L395 PolarHBondContact O-N 2.8Å; E393-L395 PolarHBondContact O-N 3.4Å; L395-T398 WeakPolarHBondContact CA-OG1 3.47Å; L395-T398 PolarHBondContact O-N 2.91Å; L395-T398 PolarHBondContact O-OG1 3.32Å; L395-N399 VanDerWaalsContact O-CB 3.26Å; L395-N399 WeakPolarHBondContact O-CB 3.34Å; L395-N399 PolarHBondContact O-N 2.88Å
396T98.7Very high98.7Very high91 Ų9194.4 Ų94.456%0.55849%0.487SS*.Hα-helixtrans-63.5-42.9174.6-57.80000111.1A392 E393 E394 N399 M400A392-T396 WeakPolarHBondContact O-CB 3.44Å; A392-T396 PolarHBondContact O-N 2.92Å; A392-T396 PolarHBondContact O-OG1 2.89Å; E393-T396 PolarHBondContact O-N 3.45Å; E394-T396 VanDerWaalsContact C-N 3.34Å; E394-T396 PolarHBondContact O-N 3.44Å; T396-N399 PolarHBondContact O-N 3.45Å; T396-M400 WeakPolarHBondContact O-CB 3.47Å; T396-M400 PolarHBondContact O-N 3.43Å
397Q98.8Very high98.7Very high123 Ų12392.6 Ų92.658%0.57548%0.482SS*.Hα-helixtrans-63.3-45.8175.9-173.6179.28.200111.9E393 E394 N399 M400 Q401E393-Q397 PolarHBondContact O-N 2.86Å; E394-Q397 PolarHBondContact O-N 3.3Å; Q397-N399 PolarHBondContact O-N 3.24Å; Q397-M400 PolarHBondContact O-N 3.18Å; Q397-Q401 WeakPolarHBondContact O-CG 3.33Å; Q397-Q401 PolarHBondContact O-N 2.94Å
398T98.7Very high98.7Very high63 Ų6395.1 Ų95.139%0.38749%0.487SS..Hα-helixtrans-67-35.6177.751.40000112.6E394 L395 Q401 L402E394-T398 PolarHBondContact O-N 3.37Å; E394-T398 PolarHBondContact O-OG1 3.02Å; L395-T398 WeakPolarHBondContact CA-OG1 3.47Å; L395-T398 PolarHBondContact O-N 2.91Å; L395-T398 PolarHBondContact O-OG1 3.32Å; T398-Q401 PolarHBondContact O-N 3.35Å; T398-L402 WeakPolarHBondContact O-CG 3.49Å; T398-L402 PolarHBondContact O-N 2.83Å
399N98.7Very high98.7Very high88 Ų8894.8 Ų94.847%0.47149%0.486SS..Hα-helixtrans-65.8-44.2176-166.5-16.2000110.6L395 T396 Q397 Q401 L402 Q403L395-N399 VanDerWaalsContact O-CB 3.26Å; L395-N399 WeakPolarHBondContact O-CB 3.34Å; L395-N399 PolarHBondContact O-N 2.88Å; T396-N399 PolarHBondContact O-N 3.45Å; Q397-N399 PolarHBondContact O-N 3.24Å; N399-Q401 VanDerWaalsContact C-N 3.33Å; N399-Q401 PolarHBondContact O-N 2.87Å; N399-L402 PolarHBondContact O-N 3.3Å; N399-Q403 WeakPolarHBondContact O-CB 3.38Å; N399-Q403 VanDerWaalsContact O-CG 3.31Å; N399-Q403 WeakPolarHBondContact O-CG 3.32Å; N399-Q403 PolarHBondContact O-N 2.81Å; N399-Q403 PolarHBondContact OD1-NE2 2.94Å
400M98.7Very high98.7Very high104 Ų10496.1 Ų96.151%0.51249%0.49SS..Hα-helixtrans-58.1-42.1172.6-173.165.565.800112.3T396 Q397 Q403 N404T396-M400 WeakPolarHBondContact O-CB 3.47Å; T396-M400 PolarHBondContact O-N 3.43Å; Q397-M400 PolarHBondContact O-N 3.18Å; M400-Q403 PolarHBondContact O-N 3.15Å; M400-N404 VanDerWaalsContact O-CG 3.25Å; M400-N404 PolarHBondContact O-N 3.44Å; M400-N404 PolarHBondContact O-ND2 3.3Å; M400-N404 VanDerWaalsContact O-ND2 3.13Å
401Q98.8Very high98.7Very high101 Ų10194.8 Ų94.847%0.47249%0.488SS..Hα-helixtrans-62.7-47.8176.4-73.5166.9-1700112Q397 T398 N399 Q403 N404 E405Q397-Q401 WeakPolarHBondContact O-CG 3.33Å; Q397-Q401 PolarHBondContact O-N 2.94Å; T398-Q401 PolarHBondContact O-N 3.35Å; N399-Q401 VanDerWaalsContact C-N 3.33Å; N399-Q401 PolarHBondContact O-N 2.87Å; Q401-Q403 PolarHBondContact O-N 3.43Å; Q401-N404 WeakPolarHBondContact O-CB 3.47Å; Q401-N404 PolarHBondContact O-N 3.19Å; Q401-E405 PolarHBondContact O-N 2.95Å
402L98.8Very high98.7Very high102 Ų10295.2 Ų95.253%0.53449%0.492SS..Hα-helixtrans-65.9-36.3178.2-68.4168.6000112.4T398 N399 E405 V406T398-L402 WeakPolarHBondContact O-CG 3.49Å; T398-L402 PolarHBondContact O-N 2.83Å; N399-L402 PolarHBondContact O-N 3.3Å; L402-E405 PolarHBondContact O-N 2.95Å; L402-V406 WeakPolarHBondContact O-CB 3.33Å; L402-V406 VanDerWaalsContact O-CG2 3.28Å; L402-V406 WeakPolarHBondContact O-CG2 3.3Å; L402-V406 PolarHBondContact O-N 3.04Å
403Q98.7Very high98.7Very high104 Ų10496 Ų9649%0.48649%0.491SS..Hα-helixtrans-63.6-40173.2-74.1178.432.900112.1N399 M400 Q401 T407N399-Q403 WeakPolarHBondContact O-CB 3.38Å; N399-Q403 VanDerWaalsContact O-CG 3.31Å; N399-Q403 WeakPolarHBondContact O-CG 3.32Å; N399-Q403 PolarHBondContact O-N 2.81Å; N399-Q403 PolarHBondContact OD1-NE2 2.94Å; M400-Q403 PolarHBondContact O-N 3.15Å; Q401-Q403 PolarHBondContact O-N 3.43Å; Q403-T407 WeakPolarHBondContact O-CB 3.37Å; Q403-T407 PolarHBondContact O-N 3.46Å; Q403-T407 PolarHBondContact O-OG1 3.47Å
404N98.8Very high98.6Very high89 Ų8993.9 Ų93.948%0.47649%0.487SS..Hα-helixtrans-64.9-44.7174.3-70.2-31000111.5M400 Q401 T407 M408M400-N404 VanDerWaalsContact O-CG 3.25Å; M400-N404 PolarHBondContact O-N 3.44Å; M400-N404 PolarHBondContact O-ND2 3.3Å; M400-N404 VanDerWaalsContact O-ND2 3.13Å; Q401-N404 WeakPolarHBondContact O-CB 3.47Å; Q401-N404 PolarHBondContact O-N 3.19Å; N404-T407 WeakPolarHBondContact O-CB 3.47Å; N404-T407 PolarHBondContact O-N 2.95Å; N404-T407 VanDerWaalsContact O-N 3.16Å; N404-M408 WeakPolarHBondContact O-CG 3.37Å; N404-M408 PolarHBondContact O-N 3.38Å
405E98.6Very high98.6Very high101 Ų10197.3 Ų97.347%0.47250%0.503SS..Hα-helixtrans-60.8-49176.3-173.1177.8177.100112.2Q401 L402 T407 M408 L409Q401-E405 PolarHBondContact O-N 2.95Å; L402-E405 PolarHBondContact O-N 2.95Å; E405-T407 PolarHBondContact O-N 3.15Å; E405-M408 PolarHBondContact O-N 3.15Å; E405-M408 VanDerWaalsContact O-N 3.14Å; E405-L409 HydrophobicContact CG-CD1 4.09Å; E405-L409 WeakPolarHBondContact O-CG 3.32Å; E405-L409 PolarHBondContact O-N 3.27Å
406V98.8Very high98.6Very high70 Ų7096.9 Ų96.942%0.42450%0.501SS..Hα-helixtrans-57.5-34.6173.8166.90000111.7L402 K410L402-V406 WeakPolarHBondContact O-CB 3.33Å; L402-V406 VanDerWaalsContact O-CG2 3.28Å; L402-V406 WeakPolarHBondContact O-CG2 3.3Å; L402-V406 PolarHBondContact O-N 3.04Å; V406-K410 HydrophobicContact CG1-CD 4.05Å; V406-K410 WeakPolarHBondContact O-CB 3.45Å; V406-K410 WeakPolarHBondContact O-CD 3.38Å; V406-K410 WeakPolarHBondContact O-CG 3.43Å; V406-K410 PolarHBondContact O-N 3.3Å
407T98.7Very high98.4Very high72 Ų7299.3 Ų99.344%0.44250%0.503SS..Hα-helixtrans-72.1-43176.8-58.30000111.7Q403 N404 E405 K410 N411Q403-T407 WeakPolarHBondContact O-CB 3.37Å; Q403-T407 PolarHBondContact O-N 3.46Å; Q403-T407 PolarHBondContact O-OG1 3.47Å; N404-T407 WeakPolarHBondContact O-CB 3.47Å; N404-T407 PolarHBondContact O-N 2.95Å; N404-T407 VanDerWaalsContact O-N 3.16Å; E405-T407 PolarHBondContact O-N 3.15Å; T407-K410 PolarHBondContact O-N 3.16Å; T407-N411 PolarHBondContact O-N 3.2Å; T407-N411 PolarHBondContact O-ND2 3.14Å; T407-N411 PolarHBondContact O-OD1 3.22Å
408M98.6Very high98.3Very high126 Ų12698.5 Ų98.562%0.62150%0.5SS*.Hα-helixtrans-60.8-47.5174.5-68.9-171.2-61.800111.6N404 E405 K410 N411 E412N404-M408 WeakPolarHBondContact O-CG 3.37Å; N404-M408 PolarHBondContact O-N 3.38Å; E405-M408 PolarHBondContact O-N 3.15Å; E405-M408 VanDerWaalsContact O-N 3.14Å; M408-K410 PolarHBondContact O-N 2.78Å; M408-N411 WeakPolarHBondContact O-CB 3.42Å; M408-N411 PolarHBondContact O-N 2.95Å; M408-N411 VanDerWaalsContact O-N 3.13Å; M408-E412 PolarHBondContact O-N 2.78Å
409L98.8Very high98.2Very high87 Ų87100 Ų10046%0.45551%0.505SS..Hα-helixtrans-64.1-38.2178.6-67.2170.6000112.3E405 N411 E412 V413E405-L409 HydrophobicContact CG-CD1 4.09Å; E405-L409 WeakPolarHBondContact O-CG 3.32Å; E405-L409 PolarHBondContact O-N 3.27Å; L409-N411 VanDerWaalsContact C-N 3.34Å; L409-E412 PolarHBondContact O-N 2.87Å; L409-V413 WeakPolarHBondContact O-CB 3.42Å; L409-V413 WeakPolarHBondContact O-CG2 3.37Å; L409-V413 PolarHBondContact O-N 3.41Å
410K98.4Very high97.9Very high133 Ų133102 Ų10258%0.57852%0.515SS*.Hα-helixtrans-62.5-40.2171.9-79.1170.6179.8177.20112.1V406 T407 M408 T414V406-K410 HydrophobicContact CG1-CD 4.05Å; V406-K410 WeakPolarHBondContact O-CB 3.45Å; V406-K410 WeakPolarHBondContact O-CD 3.38Å; V406-K410 WeakPolarHBondContact O-CG 3.43Å; V406-K410 PolarHBondContact O-N 3.3Å; T407-K410 PolarHBondContact O-N 3.16Å; M408-K410 PolarHBondContact O-N 2.78Å; K410-T414 WeakPolarHBondContact O-CB 3.34Å; K410-T414 PolarHBondContact O-N 2.92Å; K410-T414 PolarHBondContact O-OG1 2.85Å
411N98.5Very high97.6Very high90 Ų90102 Ų10248%0.48152%0.517SS..Hα-helixtrans-68.5-38.1177-67.8-15.4000111.8T407 M408 L409 T414 Q415T407-N411 PolarHBondContact O-N 3.2Å; T407-N411 PolarHBondContact O-ND2 3.14Å; T407-N411 PolarHBondContact O-OD1 3.22Å; M408-N411 WeakPolarHBondContact O-CB 3.42Å; M408-N411 PolarHBondContact O-N 2.95Å; M408-N411 VanDerWaalsContact O-N 3.13Å; L409-N411 VanDerWaalsContact C-N 3.34Å; N411-T414 PolarHBondContact O-N 3.36Å; N411-Q415 WeakPolarHBondContact O-CG 3.47Å; N411-Q415 PolarHBondContact O-N 3.43Å; N411-Q415 PolarHBondContact O-NE2 2.84Å
412E98.4Very high97.2Very high106 Ų106101.5 Ų101.550%0.49552%0.52SS..Hα-helixtrans-64.7-50.3173.8-174177.8-179.100111.6M408 L409 T414 Q415 L416M408-E412 PolarHBondContact O-N 2.78Å; L409-E412 PolarHBondContact O-N 2.87Å; E412-T414 PolarHBondContact O-N 3.01Å; E412-Q415 PolarHBondContact O-N 2.79Å; E412-Q415 VanDerWaalsContact O-N 3.09Å; E412-L416 HydrophobicContact CG-CD1 4.08Å; E412-L416 HydrophobicContact CG-CG 4.44Å; E412-L416 WeakPolarHBondContact O-CG 3.29Å; E412-L416 PolarHBondContact O-N 3.42Å
413V98.4Very high96.7Very high72 Ų72101.4 Ų101.444%0.43652%0.517SS..Hα-helixtrans-57-35.1175.2168.40000111.6L409 K417L409-V413 WeakPolarHBondContact O-CB 3.42Å; L409-V413 WeakPolarHBondContact O-CG2 3.37Å; L409-V413 PolarHBondContact O-N 3.41Å; V413-K417 HydrophobicContact CG1-CD 4.11Å; V413-K417 WeakPolarHBondContact O-CB 3.33Å; V413-K417 VanDerWaalsContact O-CG 3.23Å; V413-K417 WeakPolarHBondContact O-CG 3.36Å; V413-K417 PolarHBondContact O-N 3.3Å
414T98.1Very high96Very high88 Ų88102.4 Ų102.454%0.5452%0.52SS..Hα-helixtrans-70.6-43.5176.5-570000111.7K410 N411 E412 K417 Q418K410-T414 WeakPolarHBondContact O-CB 3.34Å; K410-T414 PolarHBondContact O-N 2.92Å; K410-T414 PolarHBondContact O-OG1 2.85Å; N411-T414 PolarHBondContact O-N 3.36Å; E412-T414 PolarHBondContact O-N 3.01Å; T414-K417 PolarHBondContact O-N 3.31Å; T414-Q418 WeakPolarHBondContact O-CB 3.2Å; T414-Q418 PolarHBondContact O-N 2.83Å
415Q98.1Very high95.1Very high135 Ų135103.7 Ų103.763%0.63153%0.526SS*.Hα-helixtrans-62.7-43.7174.6-74.216796.200112.2N411 E412 Q418 L419N411-Q415 WeakPolarHBondContact O-CG 3.47Å; N411-Q415 PolarHBondContact O-N 3.43Å; N411-Q415 PolarHBondContact O-NE2 2.84Å; E412-Q415 PolarHBondContact O-N 2.79Å; E412-Q415 VanDerWaalsContact O-N 3.09Å; Q415-Q418 PolarHBondContact O-N 3.47Å; Q415-L419 WeakPolarHBondContact O-CB 3.41Å; Q415-L419 PolarHBondContact O-N 3.49Å
416L97.8Very high94.3Very high90 Ų90100.3 Ų100.347%0.47151%0.514SS..Hα-helixtrans-64-41.7177-68.3172.9000111.7E412 L419 L420E412-L416 HydrophobicContact CG-CD1 4.08Å; E412-L416 HydrophobicContact CG-CG 4.44Å; E412-L416 WeakPolarHBondContact O-CG 3.29Å; E412-L416 PolarHBondContact O-N 3.42Å; L416-L419 PolarHBondContact O-N 3.39Å; L416-L420 WeakPolarHBondContact O-CB 3.49Å; L416-L420 VanDerWaalsContact O-CG 3.32Å; L416-L420 WeakPolarHBondContact O-CG 3.35Å; L416-L420 PolarHBondContact O-N 3.41Å
417K96.2Very high93.1Very high141 Ų141101.5 Ų101.561%0.61352%0.523SS*.Hα-helixtrans-62-42172.5-77.5173179.1-1800112.2V413 T414 L420 L421V413-K417 HydrophobicContact CG1-CD 4.11Å; V413-K417 WeakPolarHBondContact O-CB 3.33Å; V413-K417 VanDerWaalsContact O-CG 3.23Å; V413-K417 WeakPolarHBondContact O-CG 3.36Å; V413-K417 PolarHBondContact O-N 3.3Å; T414-K417 PolarHBondContact O-N 3.31Å; K417-L420 PolarHBondContact O-N 2.82Å; K417-L421 WeakPolarHBondContact O-CB 3.47Å; K417-L421 PolarHBondContact O-N 2.92Å
418Q96.8Very high92Very high107 Ų107103.6 Ų103.650%0.553%0.53SS..Hα-helixtrans-64.6-41.7176.8-175.858.442.800111.6T414 Q415 L421 T422T414-Q418 WeakPolarHBondContact O-CB 3.2Å; T414-Q418 PolarHBondContact O-N 2.83Å; Q415-Q418 PolarHBondContact O-N 3.47Å; Q418-L421 PolarHBondContact O-N 2.67Å; Q418-T422 PolarHBondContact O-N 2.89Å; Q418-T422 PolarHBondContact O-OG1 2.98Å
419L95.4Very high90.6Very high94 Ų94100.8 Ų100.849%0.49252%0.52SS..Hα-helixtrans-62.5-48.1176.8-176.363.1000111.4Q415 L416 L421 T422 H423Q415-L419 WeakPolarHBondContact O-CB 3.41Å; Q415-L419 PolarHBondContact O-N 3.49Å; L416-L419 PolarHBondContact O-N 3.39Å; L419-L421 VanDerWaalsContact C-N 3.28Å; L419-L421 PolarHBondContact O-N 3.24Å; L419-T422 WeakPolarHBondContact CA-OG1 3.44Å; L419-T422 PolarHBondContact O-N 2.75Å; L419-T422 PolarHBondContact O-OG1 3.34Å; L419-H423 PolarHBondContact O-CD2 3.01Å; L419-H423 VanDerWaalsContact O-CD2 3.31Å; L419-H423 PolarHBondContact O-N 3.05Å
420L92.8Very high89Confident130 Ų130100 Ų10068%0.68152%0.52SS*.Hα-helixtrans-58.6-39.4174.1-71.6170.3000111.9L416 K417 H423 K424L416-L420 WeakPolarHBondContact O-CB 3.49Å; L416-L420 VanDerWaalsContact O-CG 3.32Å; L416-L420 WeakPolarHBondContact O-CG 3.35Å; L416-L420 PolarHBondContact O-N 3.41Å; K417-L420 PolarHBondContact O-N 2.82Å; L420-H423 PolarHBondContact O-N 2.83Å; L420-K424 PolarHBondContact O-N 2.65Å
421L92.7Very high87.4Confident105 Ų10599 Ų9955%0.5552%0.518SS..Hα-helixtrans-66.8-39.8176.2-172.760.8000112.2K417 Q418 L419 H423 K424K417-L421 WeakPolarHBondContact O-CB 3.47Å; K417-L421 PolarHBondContact O-N 2.92Å; Q418-L421 PolarHBondContact O-N 2.67Å; L419-L421 VanDerWaalsContact C-N 3.28Å; L419-L421 PolarHBondContact O-N 3.24Å; L421-H423 VanDerWaalsContact C-N 3.3Å; L421-H423 PolarHBondContact O-N 2.98Å; L421-K424 HydrophobicContact CD1-CD 4.34Å; L421-K424 VanDerWaalsContact O-CB 3.26Å; L421-K424 WeakPolarHBondContact O-CB 3.36Å; L421-K424 PolarHBondContact O-N 2.9Å
422T91Very high86Confident89 Ų89100.3 Ų100.355%0.54652%0.521SS..Hα-helixtrans-67.7-28174.950.90000113.6Q418 L419Q418-T422 PolarHBondContact O-N 2.89Å; Q418-T422 PolarHBondContact O-OG1 2.98Å; L419-T422 WeakPolarHBondContact CA-OG1 3.44Å; L419-T422 PolarHBondContact O-N 2.75Å; L419-T422 PolarHBondContact O-OG1 3.34Å
423H86.9Confident84.4Confident101 Ų101103.6 Ų103.647%0.46853%0.534SS..Hα-helixtrans-91.8-1.5176.2-74.1-68.3000114.5L419 L420 L421 D425 C426L419-H423 PolarHBondContact O-CD2 3.01Å; L419-H423 VanDerWaalsContact O-CD2 3.31Å; L419-H423 PolarHBondContact O-N 3.05Å; L420-H423 PolarHBondContact O-N 2.83Å; L421-H423 VanDerWaalsContact C-N 3.3Å; L421-H423 PolarHBondContact O-N 2.98Å; H423-D425 PolarHBondContact O-N 3.5Å; H423-D425 VanDerWaalsContact O-N 3.15Å; H423-C426 HydrophobicContact CB-CB 4.46Å; H423-C426 WeakPolarHBondContact O-CB 3.48Å; H423-C426 PolarHBondContact O-N 2.84Å; H423-C426 VanDerWaalsContact O-N 3.07Å
424K84Confident82.8Confident124 Ų124106.9 Ų106.954%0.53955%0.545SS..THydrogen-bonded Turntrans-48-45.6-178.4175.1179.5158.5-78.20113.2L420 L421L420-K424 PolarHBondContact O-N 2.65Å; L421-K424 HydrophobicContact CD1-CD 4.34Å; L421-K424 VanDerWaalsContact O-CB 3.26Å; L421-K424 WeakPolarHBondContact O-CB 3.36Å; L421-K424 PolarHBondContact O-N 2.9Å
425D79.2Confident81.2Confident116 Ų116107.3 Ų107.362%0.6255%0.551SS**THydrogen-bonded Turntrans-108.826.6-173.5-54.1-60.5000111.3H423H423-D425 PolarHBondContact O-N 3.5Å; H423-D425 VanDerWaalsContact O-N 3.15Å
426C83.9Confident79.5Confident31 Ų31109 Ų10921%0.20956%0.559CS.*  trans-67.5133.1177.6-179.50000111.5H423 I428 T429 T430H423-C426 HydrophobicContact CB-CB 4.46Å; H423-C426 WeakPolarHBondContact O-CB 3.48Å; H423-C426 PolarHBondContact O-N 2.84Å; H423-C426 VanDerWaalsContact O-N 3.07Å; C426-I428 VanDerWaalsContact C-N 3.25Å; C426-I428 PolarHBondContact O-N 3.08Å; C426-T429 WeakPolarHBondContact O-CA 3.48Å; C426-T429 WeakPolarHBondContact O-CB 3.39Å; C426-T429 PolarHBondContact O-N 3.03Å; C426-T430 PolarHBondContact O-N 2.88Å
427P72.7Confident77.1Confident95 Ų95106.7 Ų106.762%0.61756%0.557SS**Hα-helixtrans-63.1-26.4-17623.2-33.9000114.2T430 M431P427-T430 WeakPolarHBondContact CA-OG1 3.36Å; P427-T430 PolarHBondContact O-OG1 2.73Å; P427-M431 WeakPolarHBondContact O-CB 3.3Å; P427-M431 WeakPolarHBondContact O-CG 3.44Å; P427-M431 PolarHBondContact O-N 3.13Å; P427-M431 VanDerWaalsContact O-N 3.07Å
428I75Confident74.8Confident115 Ų115111.4 Ų111.459%0.5957%0.573SS**Hα-helixtrans-69.4-40.1173.2-64.4176.5000110.3C426 M431 Q432C426-I428 VanDerWaalsContact C-N 3.25Å; C426-I428 PolarHBondContact O-N 3.08Å; I428-M431 PolarHBondContact O-N 2.65Å; I428-Q432 WeakPolarHBondContact O-CB 3.42Å; I428-Q432 WeakPolarHBondContact O-CG 3.41Å; I428-Q432 PolarHBondContact O-N 3.1Å
429T69.1Low72.5Confident67 Ų67114.3 Ų114.341%0.41159%0.591SS.*Hα-helixtrans-70.1-36.5180-52.40000111.7C426 K433C426-T429 WeakPolarHBondContact O-CA 3.48Å; C426-T429 WeakPolarHBondContact O-CB 3.39Å; C426-T429 PolarHBondContact O-N 3.03Å; T429-K433 WeakPolarHBondContact O-CB 3.35Å; T429-K433 PolarHBondContact O-N 3.12Å
430T65.6Low70.1Confident72 Ų72114.9 Ų114.944%0.44260%0.603SS.*Hα-helixtrans-68-45.7172.657.20000111.5C426 P427 Q432 K433 E434C426-T430 PolarHBondContact O-N 2.88Å; P427-T430 WeakPolarHBondContact CA-OG1 3.36Å; P427-T430 PolarHBondContact O-OG1 2.73Å; T430-Q432 VanDerWaalsContact C-N 3.33Å; T430-Q432 PolarHBondContact O-N 2.76Å; T430-K433 PolarHBondContact O-N 3.28Å; T430-K433 VanDerWaalsContact O-N 3.14Å; T430-E434 WeakPolarHBondContact O-CB 3.18Å; T430-E434 PolarHBondContact O-N 3.47Å
431M65.8Low68.1Low111 Ų111114.9 Ų114.955%0.54761%0.611SS.*Hα-helixtrans-62.5-35.9176.6-68.2-97.372.600112.8P427 I428 E434 S435P427-M431 WeakPolarHBondContact O-CB 3.3Å; P427-M431 WeakPolarHBondContact O-CG 3.44Å; P427-M431 PolarHBondContact O-N 3.13Å; P427-M431 VanDerWaalsContact O-N 3.07Å; I428-M431 PolarHBondContact O-N 2.65Å; M431-E434 WeakPolarHBondContact CE-OE2 3.23Å; M431-E434 PolarHBondContact O-N 2.95Å; M431-S435 WeakPolarHBondContact O-CB 3.36Å; M431-S435 PolarHBondContact O-N 2.71Å; M431-S435 PolarHBondContact O-OG 3.3Å
432Q67.3Low65.8Low117 Ų117118.1 Ų118.155%0.54762%0.623SS.*Hα-helixtrans-67.2-40172.7-79-176.5-44.100112.5I428 T430 E434 S435 Q436I428-Q432 WeakPolarHBondContact O-CB 3.42Å; I428-Q432 WeakPolarHBondContact O-CG 3.41Å; I428-Q432 PolarHBondContact O-N 3.1Å; T430-Q432 VanDerWaalsContact C-N 3.33Å; T430-Q432 PolarHBondContact O-N 2.76Å; Q432-E434 VanDerWaalsContact C-N 3.31Å; Q432-E434 PolarHBondContact O-N 3.32Å; Q432-S435 WeakPolarHBondContact CA-OG 3.45Å; Q432-S435 PolarHBondContact O-N 2.94Å; Q432-S435 PolarHBondContact O-OG 3.17Å; Q432-Q436 PolarHBondContact O-N 2.92Å
433K65.9Low63.6Low175 Ų175118.1 Ų118.176%0.76163%0.627SS**Hα-helixtrans-66.5-34176.4-170.4178.3-179.6-176.20112.4T429 T430T429-K433 WeakPolarHBondContact O-CB 3.35Å; T429-K433 PolarHBondContact O-N 3.12Å; T430-K433 PolarHBondContact O-N 3.28Å; T430-K433 VanDerWaalsContact O-N 3.14Å
434E63.9Low61.3Low142 Ų142119 Ų11966%0.66464%0.644SS**Hα-helixtrans-75.5-32.5177.5-167.7164.9-159.100112.3T430 M431 Q432T430-E434 WeakPolarHBondContact O-CB 3.18Å; T430-E434 PolarHBondContact O-N 3.47Å; M431-E434 WeakPolarHBondContact CE-OE2 3.23Å; M431-E434 PolarHBondContact O-N 2.95Å; Q432-E434 VanDerWaalsContact C-N 3.31Å; Q432-E434 PolarHBondContact O-N 3.32Å
435S66.3Low60.5Low97 Ų97119.1 Ų119.168%0.67866%0.657SS**Hα-helixtrans-86.7-6.5-179.351.70000115.8M431 Q432M431-S435 WeakPolarHBondContact O-CB 3.36Å; M431-S435 PolarHBondContact O-N 2.71Å; M431-S435 PolarHBondContact O-OG 3.3Å; Q432-S435 WeakPolarHBondContact CA-OG 3.45Å; Q432-S435 PolarHBondContact O-N 2.94Å; Q432-S435 PolarHBondContact O-OG 3.17Å
436Q60.3Low58.8Low170 Ų170118.7 Ų118.779%0.79467%0.67SS**THydrogen-bonded Turntrans-92.45.8175.8-78.8-168.6-17.100115.3Q432Q432-Q436 PolarHBondContact O-N 2.92Å
437G48.2Very low56.5Low42 Ų42121.2 Ų121.243%0.43370%0.701SS.*  trans94.7148.5178.500000112.9L439G437-L439 VanDerWaalsContact C-N 3.3Å
438Y47.5Very low54.9Low240 Ų240122.3 Ų122.394%0.94171%0.711SS**  cis62.126.419.4-114-74.6000115.2
439L49.7Very low53.6Low167 Ų167122.5 Ų122.587%0.87472%0.72SS**  trans-125.272.5162.1-71178.9000110.5G437G437-L439 VanDerWaalsContact C-N 3.3Å
440S45.3Very low52.6Low106 Ų106125.7 Ų125.774%0.74174%0.74SS**SBendtrans-137132.4162.6-174.20000108.1
441P50.4Low51.4Low131 Ų131128 Ų12885%0.85176%0.755SS**  trans-62154.1-177.6-25.735.8000114.6
442E43.1Very low50.2Low172 Ų172128.9 Ų128.980%0.80477%0.767SS**  trans-90.1152.4-167.1167.765.513700113.8
443S45.4Very low48.7Very low90 Ų90129.6 Ų129.663%0.62978%0.784SS**  trans63.3119.7161.364.30000121.3
444S39.1Very low47.3Very low120 Ų120125.8 Ų125.884%0.83978%0.779SS**  -160150.5106.5-79.50000111.5
445P67Low46.5Very low125 Ų125128.1 Ų128.181%0.81279%0.79SS**  trans-119.1178.6-161.342.5-31.9000116.5
446A43Very low45.3Very low108 Ų108131.9 Ų131.989%0.89380%0.797SS**  trans82.3127.416600000118.5
447G36.4Very low44.6Very low83 Ų83131.5 Ų131.586%0.85680%0.795SS**  trans140.999.8176.400000112.9
448S38.5Very low44.1Very low119 Ų119138.7 Ų138.783%0.83282%0.817SS**  trans-95.3170.6176.254.30000111.8
449P48.9Very low43.7Very low118 Ų118132.2 Ų132.277%0.76680%0.802SS**  cis-121-174.2-3.141.8-28.5000113.7
450T47.3Very low43.4Very low135 Ų135131.4 Ų131.483%0.82880%0.797SS**PPolyproline II helixtrans-76.4143.317443.10000113.6
451P40.3Very low43.2Very low119 Ų119134.4 Ų134.477%0.77380%0.799SS**PPolyproline II helixtrans-98.1150.3143.434.4-29.8000110.7C453P451-C453 PolarHBondContact O-N 3.47Å
452V40Very low42.6Very low131 Ų131135.3 Ų135.379%0.79479%0.792SS**PPolyproline II helixtrans-74117.8177.4175.90000110.4S454V452-S454 PolarHBondContact O-N 2.66Å; V452-S454 VanDerWaalsContact O-N 3.08Å
453C35.3Very low42.3Very low132 Ų132134.5 Ų134.589%0.89279%0.793SS**  trans-80.882.7171.6-168.50000110.4P451P451-C453 PolarHBondContact O-N 3.47Å
454S38.4Very low42Very low94 Ų94135.4 Ų135.466%0.65780%0.795SS**  trans-68.8147.8168.4-67.90000111V452 Q456V452-S454 PolarHBondContact O-N 2.66Å; V452-S454 VanDerWaalsContact O-N 3.08Å; S454-Q456 PolarHBondContact O-N 3.38Å
455Q46.8Very low41.8Very low191 Ų191137.3 Ų137.389%0.89379%0.794SS**  trans-65.1122.3174.9-57.417435.100110.9
456Q40.4Very low40.3Very low177 Ų177137.1 Ų137.183%0.82779%0.791SS**  trans-165.3100.2133-112.2167.8-9.600114.2S454S454-Q456 PolarHBondContact O-N 3.38Å
457Q44.8Very low39.8Very low162 Ų162138 Ų13876%0.75779%0.786SS**  43.386.6126.1-164167.110.200118.4V459Q457-V459 HydrophobicContact CG-CG2 4.24Å
458Q38.8Very low39.5Very low193 Ų193139.6 Ų139.690%0.90278%0.784SS**  trans-74.7123155.6-76.7-166.9-26.300110.4I460Q458-I460 PolarHBondContact O-N 2.93Å
459V38.8Very low39.2Very low104 Ų104140.2 Ų140.263%0.6378%0.783SS**  trans-88.4106.4179.1178.20000109.8Q457 Q461Q457-V459 HydrophobicContact CG-CG2 4.24Å; V459-Q461 HydrophobicContact CG1-CG 4.48Å; V459-Q461 PolarHBondContact O-N 3.36Å
460I44.2Very low38.3Very low150 Ų150141.3 Ų141.377%0.76979%0.787SS**  trans-74.7103.4164.2-62.2179000107.7Q458 H462Q458-I460 PolarHBondContact O-N 2.93Å; I460-H462 PolarHBondContact O-N 3.17Å; I460-H462 PolarHBondContact O-ND1 3.02Å
461Q40.5Very low37.7Very low168 Ų168140.5 Ų140.579%0.78578%0.782SS**  trans-63.2123.7-178.4-60.3179.817.600110.5V459V459-Q461 HydrophobicContact CG1-CG 4.48Å; V459-Q461 PolarHBondContact O-N 3.36Å
462H38.6Very low37.5Very low151 Ų151141.8 Ų141.870%0.69979%0.788SS**  trans-130.5118.716652.3-76.9000107.6I460 T464I460-H462 PolarHBondContact O-N 3.17Å; I460-H462 PolarHBondContact O-ND1 3.02Å; H462-T464 PolarHBondContact O-N 3.19Å
463N36.4Very low37Very low155 Ų155139.1 Ų139.183%0.82979%0.787SS**  trans-70.6105.6-170.7-80.3-13.4000111.7
464T38.1Very low36.8Very low109 Ų109137.1 Ų137.167%0.66979%0.788SS**  trans-110.899.1162.958.50000109.3H462 T466H462-T464 PolarHBondContact O-N 3.19Å; T464-T466 PolarHBondContact O-N 3.46Å; T464-T466 VanDerWaalsContact O-N 3.17Å
465I35Very low36.4Very low160 Ų160136.4 Ų136.482%0.82180%0.796SS**  trans-76.6101.7171.5-59176.5000107.9
466T34.9Very low35.9Very low121 Ų121133.9 Ų133.974%0.74279%0.794SS**  trans-124.1109.1169.7-57.10000108.3T464T464-T466 PolarHBondContact O-N 3.46Å; T464-T466 VanDerWaalsContact O-N 3.17Å
467T32.4Very low35.6Very low127 Ų127132.5 Ų132.578%0.77980%0.797SS**  trans-76.5119.9179.350.10000111.5
468S31.1Very low35.1Very low116 Ų116133.6 Ų133.681%0.81180%0.801SS**  trans-148132.4164.2-85.50000110.3
469T31.5Very low34.6Very low132 Ų132127.5 Ų127.581%0.8179%0.79SS**  trans-103.9130.9-169.6-45.20000112.4
470T30.8Very low34.3Very low141 Ų141131.3 Ų131.387%0.86580%0.802SS**  trans-150.4164.3153-1.40000111.6
471T35.3Very low33.6Very low118 Ų118127.4 Ų127.472%0.72479%0.792SS**  trans-107.3174.6-159.847.90000114.4
472V34.9Very low33.1Very low146 Ų146125.6 Ų125.689%0.88579%0.787SS**  trans74.9139.4174.4-35.30000116.6
473G30.9Very low32.8Very low75 Ų75126 Ų12677%0.77379%0.789SS**  cis161.9120.4-14.100000115
474G31.1Very low32.5Very low89 Ų89129.8 Ų129.892%0.91879%0.792SS**  trans70.1124.315700000119
475G29.9Very low32.4Very low80 Ų80131.5 Ų131.583%0.82580%0.802SS**  trans168.769.8171.800000115.7
476T35.6Very low32.4Very low138 Ų138130.6 Ų130.685%0.84780%0.799SS**  trans-77.8142.5176.145.50000113.2
477V33.8Very low32.5Very low147 Ų147130.7 Ų130.789%0.89180%0.799SS**  trans-119.8143.5159.1-178.10000108.1
478H34.9Very low32.5Very low185 Ų185131 Ų13186%0.85680%0.796SS**  trans-134.3145.9-167.8-14887.5000111.7
479G28.7Very low33.7Very low65 Ų65130.4 Ų130.467%0.6779%0.789SS**  trans93155.917100000116
480Q31.3Very low34Very low185 Ų185131.5 Ų131.586%0.86479%0.789SS**  cis-166.4161.9-16.1-136.6-175.724.400110.2
481A30.2Very low34.4Very low68 Ų68136.4 Ų136.456%0.56280%0.801SS**  trans66.2117.2145.500000121.5
482N29.4Very low34.4Very low129 Ų129137.4 Ų137.469%0.6981%0.805SS**  92137.4116.5-77.8-6000123.8
483H31.8Very low34.3Very low160 Ų160136.9 Ų136.974%0.74180%0.801SS**  trans70.8112.1153-50.6-26.5000116.5
484R30.5Very low34.5Very low235 Ų235140.3 Ų140.389%0.88780%0.803SS**  91.799.564.1-177.4-158.9176-169.9-1.2111.7
485T35.9Very low34.7Very low144 Ų144143.4 Ų143.488%0.88380%0.796SS**  trans-140.8139.9153-23.80000109.3
486D35.9Very low35Very low142 Ų142147.3 Ų147.376%0.75979%0.794SS**  trans-139.7173.9176.2-161.2-28.4000105.8
487V37Very low35Very low122 Ų122147.9 Ų147.974%0.73979%0.79SS**  trans72.1130178.7-176.70000113.7
488N32.7Very low35.1Very low135 Ų135148 Ų14872%0.72278%0.783SS**  cis-158.4168.1-10-123.96.1000110.4
489P55.1Low35.1Very low102 Ų102145.2 Ų145.266%0.66278%0.778SS**  trans-99.7151154.337.3-29.5000112.1
490I37.2Very low35.6Very low156 Ų156151.8 Ų151.880%0.879%0.787SS**  trans69.2136.4173.8-45.8172.4000112.5
491H40.2Very low36Very low244 Ų244148.8 Ų148.8100%1.1378%0.78SS**  cis-129.4011.6-160.3-48.2000111.7

Retrieved 491 of 491 residues in 94.5 ms (Link to these results)