A0A061AIT4_CAEEL Loading...

FERM domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AIT4, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 814 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
1M34.7Very low57.9Low230 Ų230100.9 Ų100.9100%1.13354%0.541SS*.  0162.60-72.9-173178.100109
2P43.2Very low58.2Low126 Ų126108.2 Ų108.282%0.81856%0.564SS**  trans-57.7142.1161.627.4-35000109.7S4P2-S4 PolarHBondContact O-N 3.39Å
3M49.5Very low58.9Low101 Ų101103.4 Ų103.450%0.49854%0.543SS..  trans-62.5126-178.8-64.8-81.1-75.200110.3H5 P7 L10M3-H5 WeakPolarHBondContact CB-O 3.35Å; M3-H5 PolarHBondContact O-N 3.27Å; M3-P7 HydrophobicContact CE-CB 4.3Å; M3-P7 HydrophobicContact CE-CG 4.22Å; M3-L10 HydrophobicContact CE-CD1 3.88Å
4S61Low60.4Low71 Ų71103 Ų10350%0.49754%0.541SS..SBendtrans-75.3-6.1178.452.90000113.5P2P2-S4 PolarHBondContact O-N 3.39Å
5H63.8Low61.4Low16 Ų1699.7 Ų99.77%0.07452%0.522CS..SBendtrans-152.5158.4-179.146.271.6000110.5M3 I9 Q15 V18M3-H5 WeakPolarHBondContact CB-O 3.35Å; M3-H5 PolarHBondContact O-N 3.27Å; H5-I9 HydrophobicContact CB-CD1 4.23Å; H5-Q15 PolarHBondContact CE1-OE1 3.33Å; H5-Q15 VanDerWaalsContact CE1-OE1 3.27Å; H5-Q15 PolarHBondContact NE2-NE2 3.32Å; H5-Q15 VanDerWaalsContact NE2-NE2 3.14Å; H5-Q15 PolarHBondContact NE2-OE1 2.88Å; H5-V18 HydrophobicContact CB-CG1 4.43Å; H5-V18 WeakPolarHBondContact CD2-CG1 3.49Å
6P72.4Confident62.4Low54 Ų5497.4 Ų97.435%0.35152%0.517SS..  trans-57.1146.3172.4-26.135.9000113Y8 I9P6-Y8 HydrophobicContact CB-CD1 3.64Å; P6-Y8 HydrophobicContact CB-CE1 3.24Å; P6-Y8 HydrophobicContact CB-CE2 4.32Å; P6-Y8 HydrophobicContact CB-CG 4.32Å; P6-Y8 HydrophobicContact CG-CE1 3.91Å; P6-Y8 PolarHBondContact O-N 3.37Å; P6-Y8 VanDerWaalsContact O-N 3.17Å; P6-I9 PolarHBondContact O-N 3.08Å
7P65.3Low63.5Low90 Ų9095.5 Ų95.558%0.58450%0.504SS*.G310 helixtrans-58.6-31.2-177.7-2634.1000114.5M3 I9 L10M3-P7 HydrophobicContact CE-CB 4.3Å; M3-P7 HydrophobicContact CE-CG 4.22Å; P7-I9 PolarHBondContact O-N 3.31Å; P7-I9 VanDerWaalsContact O-N 3.13Å; P7-L10 PolarHBondContact O-N 3.47Å; P7-L10 VanDerWaalsContact O-N 3.13Å
8Y64.6Low64.5Low153 Ų15391 Ų9160%0.648%0.481SS*.G310 helixtrans-66.9-12.7-178.364.8-106.7000114.4P6P6-Y8 HydrophobicContact CB-CD1 3.64Å; P6-Y8 HydrophobicContact CB-CE1 3.24Å; P6-Y8 HydrophobicContact CB-CE2 4.32Å; P6-Y8 HydrophobicContact CB-CG 4.32Å; P6-Y8 HydrophobicContact CG-CE1 3.91Å; P6-Y8 PolarHBondContact O-N 3.37Å; P6-Y8 VanDerWaalsContact O-N 3.17Å
9I62.5Low65.4Low61 Ų6191.5 Ų91.531%0.31348%0.481SS..G310 helixtrans-73.6-34.6174.7-59.7-166.5000110.3H5 P6 P7 L11 K12 T13 V18H5-I9 HydrophobicContact CB-CD1 4.23Å; P6-I9 PolarHBondContact O-N 3.08Å; P7-I9 PolarHBondContact O-N 3.31Å; P7-I9 VanDerWaalsContact O-N 3.13Å; I9-L11 PolarHBondContact O-N 3.17Å; I9-K12 PolarHBondContact O-N 3.2Å; I9-K12 VanDerWaalsContact O-N 3.13Å; I9-T13 PolarHBondContact O-N 3.45Å; I9-T13 PolarHBondContact O-OG1 2.96Å; I9-V18 HydrophobicContact CG2-CG2 4.11Å
10L60.8Low66.3Low60 Ų6094.9 Ų94.931%0.31449%0.487SS..THydrogen-bonded Turntrans-69.9-15.9176.3-59.6-176.9000114.1M3 P7 K12 T13 Q15 V18M3-L10 HydrophobicContact CE-CD1 3.88Å; P7-L10 PolarHBondContact O-N 3.47Å; P7-L10 VanDerWaalsContact O-N 3.13Å; L10-K12 PolarHBondContact O-N 2.92Å; L10-K12 VanDerWaalsContact O-N 3.14Å; L10-T13 WeakPolarHBondContact CA-O 3.42Å; L10-Q15 HydrophobicContact CD2-CB 4.2Å; L10-Q15 VanDerWaalsContact CD2-OE1 3.23Å; L10-V18 HydrophobicContact CD2-CG2 4.33Å
11L59.6Low67.1Low148 Ų14897 Ų9778%0.77549%0.488SS*.THydrogen-bonded Turntrans-70-1.2171.5-58.7175.8000112.8I9I9-L11 PolarHBondContact O-N 3.17Å
12K61.4Low69.5Low188 Ų18889.2 Ų89.282%0.81745%0.454SS*.THydrogen-bonded Turntrans-136.2-14.7-176.6-61.8-169.8177-171.70115.4I9 L10I9-K12 PolarHBondContact O-N 3.2Å; I9-K12 VanDerWaalsContact O-N 3.13Å; L10-K12 PolarHBondContact O-N 2.92Å; L10-K12 VanDerWaalsContact O-N 3.14Å
13T67.6Low71.4Confident46 Ų4688.6 Ų88.628%0.28244%0.439SS..SBendtrans-153.8147-17647.30000110.7I9 L10 V18I9-T13 PolarHBondContact O-N 3.45Å; I9-T13 PolarHBondContact O-OG1 2.96Å; L10-T13 WeakPolarHBondContact CA-O 3.42Å; T13-V18 WeakPolarHBondContact OG1-CG2 3.29Å
14D78.8Confident73.1Confident98 Ų9890.1 Ų90.152%0.52445%0.445SS..  trans-65146.2177.4176.347.1000113.3S16 E17 V18D14-S16 VanDerWaalsContact C-N 3.29Å; D14-S16 PolarHBondContact O-N 3.21Å; D14-S16 WeakPolarHBondContact OD2-CB 3.39Å; D14-S16 PolarHBondContact OD2-N 3.11Å; D14-S16 VanDerWaalsContact OD2-N 3.07Å; D14-S16 PolarHBondContact OD2-OG 3.33Å; D14-E17 PolarHBondContact O-N 3.25Å; D14-E17 VanDerWaalsContact O-N 3.09Å; D14-V18 WeakPolarHBondContact O-CG2 3.44Å; D14-V18 PolarHBondContact O-N 3.15Å; D14-V18 VanDerWaalsContact O-N 3.07Å
15Q76.4Confident74.1Confident53 Ų5393.6 Ų93.625%0.24845%0.451CS..Hα-helixtrans-52.8-46.3177.2-177.867.636.100111.3H5 L10 E17 V18 E19H5-Q15 PolarHBondContact CE1-OE1 3.33Å; H5-Q15 VanDerWaalsContact CE1-OE1 3.27Å; H5-Q15 PolarHBondContact NE2-NE2 3.32Å; H5-Q15 VanDerWaalsContact NE2-NE2 3.14Å; H5-Q15 PolarHBondContact NE2-OE1 2.88Å; L10-Q15 HydrophobicContact CD2-CB 4.2Å; L10-Q15 VanDerWaalsContact CD2-OE1 3.23Å; Q15-E17 PolarHBondContact O-N 3.39Å; Q15-V18 PolarHBondContact O-N 3.28Å; Q15-E19 PolarHBondContact NE2-OE1 3.5Å; Q15-E19 WeakPolarHBondContact O-CB 3.47Å; Q15-E19 WeakPolarHBondContact O-CG 3.48Å; Q15-E19 PolarHBondContact O-N 2.98Å
16S77Confident75.1Confident64 Ų6498.2 Ų98.245%0.44847%0.471SS..Hα-helixtrans-64.5-27.6-177.4-280000112.5D14 R20D14-S16 VanDerWaalsContact C-N 3.29Å; D14-S16 PolarHBondContact O-N 3.21Å; D14-S16 WeakPolarHBondContact OD2-CB 3.39Å; D14-S16 PolarHBondContact OD2-N 3.11Å; D14-S16 VanDerWaalsContact OD2-N 3.07Å; D14-S16 PolarHBondContact OD2-OG 3.33Å; S16-R20 WeakPolarHBondContact O-CB 3.45Å; S16-R20 PolarHBondContact O-N 2.91Å
17E81.6Confident75.6Confident64 Ų64104 Ų10430%0.29949%0.485SS..Hα-helixtrans-81-42.1176-154.6-160.5164.300112.1D14 Q15 E19 R20 R21D14-E17 PolarHBondContact O-N 3.25Å; D14-E17 VanDerWaalsContact O-N 3.09Å; Q15-E17 PolarHBondContact O-N 3.39Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-R20 PolarHBondContact O-N 3.22Å; E17-R21 WeakPolarHBondContact O-CG 3.45Å; E17-R21 PolarHBondContact O-N 3.4Å; E17-R21 IonicContact OE1-CZ 3.21Å; E17-R21 IonicContact OE1-NE 3.59Å; E17-R21 PolarHBondContact OE1-NE 3.38Å; E17-R21 IonicContact OE1-NH2 3.11Å; E17-R21 PolarHBondContact OE1-NH2 3.46Å
18V80.3Confident76.3Confident15 Ų15108.7 Ų108.79%0.09149%0.493CS..Hα-helixtrans-62-44.4175.4-176.70000110.3H5 I9 L10 T13 D14 Q15 R20 R21 V22H5-V18 HydrophobicContact CB-CG1 4.43Å; H5-V18 WeakPolarHBondContact CD2-CG1 3.49Å; I9-V18 HydrophobicContact CG2-CG2 4.11Å; L10-V18 HydrophobicContact CD2-CG2 4.33Å; T13-V18 WeakPolarHBondContact OG1-CG2 3.29Å; D14-V18 WeakPolarHBondContact O-CG2 3.44Å; D14-V18 PolarHBondContact O-N 3.15Å; D14-V18 VanDerWaalsContact O-N 3.07Å; Q15-V18 PolarHBondContact O-N 3.28Å; V18-R20 PolarHBondContact O-N 3.42Å; V18-R21 PolarHBondContact O-N 2.66Å; V18-V22 HydrophobicContact CG1-CG2 4.29Å; V18-V22 WeakPolarHBondContact O-CB 3.34Å; V18-V22 VanDerWaalsContact O-CG2 3.26Å; V18-V22 WeakPolarHBondContact O-CG2 3.37Å; V18-V22 PolarHBondContact O-N 3.41Å
19E82.4Confident77Confident101 Ų101107.8 Ų107.847%0.47249%0.489SS..Hα-helixtrans-61.3-42.2175.7-74.5-177-176.600112.5Q15 E17 V22 F23Q15-E19 PolarHBondContact NE2-OE1 3.5Å; Q15-E19 WeakPolarHBondContact O-CB 3.47Å; Q15-E19 WeakPolarHBondContact O-CG 3.48Å; Q15-E19 PolarHBondContact O-N 2.98Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E19-V22 PolarHBondContact O-N 3.2Å; E19-F23 VanDerWaalsContact O-CB 3.31Å; E19-F23 WeakPolarHBondContact O-CB 3.47Å; E19-F23 PolarHBondContact O-N 3.28Å
20R83.4Confident77.7Confident158 Ų158114.1 Ų114.160%0.59651%0.509SS*.Hα-helixtrans-60-48.8175.6-171.2-178.2-59.8105.45.2111.7S16 E17 V18 V22 F23 E24S16-R20 WeakPolarHBondContact O-CB 3.45Å; S16-R20 PolarHBondContact O-N 2.91Å; E17-R20 PolarHBondContact O-N 3.22Å; V18-R20 PolarHBondContact O-N 3.42Å; R20-V22 VanDerWaalsContact C-N 3.34Å; R20-V22 PolarHBondContact O-N 3.46Å; R20-F23 PolarHBondContact O-N 3.34Å; R20-E24 WeakPolarHBondContact O-CB 3.43Å; R20-E24 PolarHBondContact O-N 3.3Å
21R83.4Confident78.6Confident139 Ų139122.6 Ų122.653%0.52554%0.537SS..Hα-helixtrans-65.1-34.1177.9-68.4171177.4-138.47.2112.4E17 V18 K25E17-R21 WeakPolarHBondContact O-CG 3.45Å; E17-R21 PolarHBondContact O-N 3.4Å; E17-R21 IonicContact OE1-CZ 3.21Å; E17-R21 IonicContact OE1-NE 3.59Å; E17-R21 PolarHBondContact OE1-NE 3.38Å; E17-R21 IonicContact OE1-NH2 3.11Å; E17-R21 PolarHBondContact OE1-NH2 3.46Å; V18-R21 PolarHBondContact O-N 2.66Å; R21-K25 PolarHBondContact O-N 3.31Å
22V84.5Confident79.7Confident68 Ų68119.3 Ų119.341%0.41252%0.52SS..Hα-helixtrans-70.1-44.3173.9166.80000110.9V18 E19 R20 K25 F26V18-V22 HydrophobicContact CG1-CG2 4.29Å; V18-V22 WeakPolarHBondContact O-CB 3.34Å; V18-V22 VanDerWaalsContact O-CG2 3.26Å; V18-V22 WeakPolarHBondContact O-CG2 3.37Å; V18-V22 PolarHBondContact O-N 3.41Å; E19-V22 PolarHBondContact O-N 3.2Å; R20-V22 VanDerWaalsContact C-N 3.34Å; R20-V22 PolarHBondContact O-N 3.46Å; V22-K25 PolarHBondContact O-N 3.02Å; V22-F26 WeakPolarHBondContact O-CB 3.33Å; V22-F26 PolarHBondContact O-N 3.13Å
23F83.4Confident80.7Confident113 Ų113113.5 Ų113.550%0.49650%0.501SS..Hα-helixtrans-67.7-37-179.8-172.9-114.1000112.6E19 R20 F26 R27E19-F23 VanDerWaalsContact O-CB 3.31Å; E19-F23 WeakPolarHBondContact O-CB 3.47Å; E19-F23 PolarHBondContact O-N 3.28Å; R20-F23 PolarHBondContact O-N 3.34Å; F23-F26 HydrophobicContact CD2-CD1 4.33Å; F23-F26 HydrophobicContact CE2-CD1 4.41Å; F23-F26 WeakPolarHBondContact O-CB 3.27Å; F23-F26 PolarHBondContact O-N 3.34Å; F23-R27 WeakPolarHBondContact O-CG 3.26Å; F23-R27 PolarHBondContact O-N 2.95Å
24E85.6Confident81.5Confident133 Ų133115.6 Ų115.662%0.62151%0.514SS*.Hα-helixtrans-57.2-51.4171-179.6177-143.300111.6R20 F26 R27R20-E24 WeakPolarHBondContact O-CB 3.43Å; R20-E24 PolarHBondContact O-N 3.3Å; E24-F26 VanDerWaalsContact C-N 3.33Å; E24-F26 PolarHBondContact O-N 2.91Å; E24-R27 WeakPolarHBondContact O-CB 3.34Å; E24-R27 PolarHBondContact O-N 3.28Å
25K82.1Confident81.7Confident143 Ų143110.9 Ų110.962%0.62249%0.489SS*.Hα-helixtrans-64.5-36.1174.7-70.7-175.9177.7-175.90112.5R21 V22 R27 Y28 Y29R21-K25 PolarHBondContact O-N 3.31Å; V22-K25 PolarHBondContact O-N 3.02Å; K25-R27 VanDerWaalsContact C-N 3.31Å; K25-R27 PolarHBondContact O-N 3.22Å; K25-Y28 WeakPolarHBondContact O-CB 3.29Å; K25-Y28 PolarHBondContact O-N 3.49Å; K25-Y29 HydrophobicContact CB-CE2 4.49Å; K25-Y29 WeakPolarHBondContact O-CD2 3.45Å; K25-Y29 PolarHBondContact O-N 3.05Å
26F83.8Confident82.1Confident113 Ų113110.2 Ų110.250%0.49649%0.488SS..Hα-helixtrans-62.1-36.9175.2179.1-103.2000112.2V22 F23 E24 Y28 Y29 R30V22-F26 WeakPolarHBondContact O-CB 3.33Å; V22-F26 PolarHBondContact O-N 3.13Å; F23-F26 HydrophobicContact CD2-CD1 4.33Å; F23-F26 HydrophobicContact CE2-CD1 4.41Å; F23-F26 WeakPolarHBondContact O-CB 3.27Å; F23-F26 PolarHBondContact O-N 3.34Å; E24-F26 VanDerWaalsContact C-N 3.33Å; E24-F26 PolarHBondContact O-N 2.91Å; F26-Y28 VanDerWaalsContact C-N 3.28Å; F26-Y28 PolarHBondContact O-N 3.46Å; F26-Y29 CarbonylContact O-C 3.53Å; F26-Y29 PolarHBondContact O-N 3.4Å; F26-Y29 VanDerWaalsContact O-N 3.16Å; F26-R30 HydrophobicContact CE1-CB 4.44Å; F26-R30 HydrophobicContact CE1-CG 4.43Å; F26-R30 WeakPolarHBondContact O-CB 3.49Å; F26-R30 PolarHBondContact O-N 3.49Å
27R82.8Confident82.5Confident175 Ų175108.6 Ų108.666%0.6648%0.482SS*.Hα-helixtrans-57.9-39.9174.7-73.6173.7171.2-162.6-5112.4F23 E24 K25F23-R27 WeakPolarHBondContact O-CG 3.26Å; F23-R27 PolarHBondContact O-N 2.95Å; E24-R27 WeakPolarHBondContact O-CB 3.34Å; E24-R27 PolarHBondContact O-N 3.28Å; K25-R27 VanDerWaalsContact C-N 3.31Å; K25-R27 PolarHBondContact O-N 3.22Å
28Y79.9Confident82.7Confident190 Ų190109.1 Ų109.175%0.74549%0.485SS*.Hα-helixtrans-65.3-44.1175.1-176-94.2000111.9K25 F26K25-Y28 WeakPolarHBondContact O-CB 3.29Å; K25-Y28 PolarHBondContact O-N 3.49Å; F26-Y28 VanDerWaalsContact C-N 3.28Å; F26-Y28 PolarHBondContact O-N 3.46Å
29Y80.3Confident83Confident133 Ų133108.6 Ų108.652%0.52248%0.482SS..Hα-helixtrans-83.5-10.2-178.1-62.6-59.9000115.3K25 F26 R31 L32K25-Y29 HydrophobicContact CB-CE2 4.49Å; K25-Y29 WeakPolarHBondContact O-CD2 3.45Å; K25-Y29 PolarHBondContact O-N 3.05Å; F26-Y29 CarbonylContact O-C 3.53Å; F26-Y29 PolarHBondContact O-N 3.4Å; F26-Y29 VanDerWaalsContact O-N 3.16Å; Y29-R31 PolarHBondContact O-N 3.24Å; Y29-L32 HydrophobicContact CD1-CD1 3.71Å; Y29-L32 HydrophobicContact CE1-CD1 4.43Å; Y29-L32 WeakPolarHBondContact O-CB 3.4Å; Y29-L32 PolarHBondContact O-N 3.26Å
30R76.8Confident83.2Confident194 Ų194106.7 Ų106.773%0.73248%0.48SS*.THydrogen-bonded Turntrans-55.5-23.9-176.1-178.6176.6175.6-164.4-1.3114.5F26F26-R30 HydrophobicContact CE1-CB 4.44Å; F26-R30 HydrophobicContact CE1-CG 4.43Å; F26-R30 WeakPolarHBondContact O-CB 3.49Å; F26-R30 PolarHBondContact O-N 3.49Å
31R79.3Confident83.4Confident239 Ų239106.1 Ų106.190%0.90248%0.482SS*.THydrogen-bonded Turntrans-92.9-2178.6-64.6-171.5-178.6-132.63.9114.3Y29Y29-R31 PolarHBondContact O-N 3.24Å
32L82.4Confident83.6Confident78 Ų78102.8 Ų102.841%0.40847%0.474SS..SBendtrans-82141.1176.3-65.5-172000111.7Y29Y29-L32 HydrophobicContact CD1-CD1 3.71Å; Y29-L32 HydrophobicContact CE1-CD1 4.43Å; Y29-L32 WeakPolarHBondContact O-CB 3.4Å; Y29-L32 PolarHBondContact O-N 3.26Å
33P84Confident83.7Confident66 Ų66103.8 Ų103.843%0.42947%0.473SS..  trans-57.7144.9166.7-2535.3000112.2G35 T36 G37 N217P33-G35 PolarHBondContact O-N 3.08Å; P33-T36 WeakPolarHBondContact O-CA 3.47Å; P33-T36 VanDerWaalsContact O-CB 3.29Å; P33-T36 WeakPolarHBondContact O-CB 3.45Å; P33-T36 PolarHBondContact O-N 2.98Å; P33-G37 PolarHBondContact O-N 3.44Å; P33-N217 HydrophobicContact CB-CB 4.5Å; P33-N217 VanDerWaalsContact CB-CG 3.45Å; P33-N217 WeakPolarHBondContact CB-ND2 3.44Å; P33-N217 WeakPolarHBondContact CB-OD1 3.28Å
34V82.9Confident83.9Confident90 Ų90104 Ų10455%0.54548%0.478SS..Hα-helixtrans-61.4-43.7-169.8-178.90000112.3T36 G37 M38 T220V34-T36 VanDerWaalsContact C-N 3.33Å; V34-T36 PolarHBondContact O-N 3.42Å; V34-G37 CarbonylContact O-C 3.03Å; V34-G37 WeakPolarHBondContact O-CA 3.42Å; V34-G37 PolarHBondContact O-N 3.29Å; V34-G37 VanDerWaalsContact O-N 3.12Å; V34-M38 HydrophobicContact CG1-CG 4.48Å; V34-M38 HydrophobicContact CG1-SD 4.25Å; V34-M38 WeakPolarHBondContact O-CG 3.44Å; V34-M38 PolarHBondContact O-N 2.98Å; V34-T220 HydrophobicContact CB-CG2 3.98Å; V34-T220 HydrophobicContact CG1-CG2 3.91Å
35G83.9Confident84Confident0 Ų098.7 Ų98.70%046%0.457CS..Hα-helixtrans-61.9-37.3174.300000113.2P33 G37 M38 I39 N217P33-G35 PolarHBondContact O-N 3.08Å; G35-G37 VanDerWaalsContact C-N 3.31Å; G35-G37 PolarHBondContact O-N 3.03Å; G35-M38 PolarHBondContact O-N 2.69Å; G35-I39 WeakPolarHBondContact O-CG1 3.28Å; G35-I39 PolarHBondContact O-N 3.12Å; G35-N217 WeakPolarHBondContact CA-OD1 3.45Å; G35-N217 PolarHBondContact N-OD1 2.87Å
36T85.3Confident84.1Confident38 Ų3896.1 Ų96.123%0.23345%0.447CS..Hα-helixtrans-63.1-40.1172.9-49.10000110.9P33 V34 S40 T213 N217P33-T36 WeakPolarHBondContact O-CA 3.47Å; P33-T36 VanDerWaalsContact O-CB 3.29Å; P33-T36 WeakPolarHBondContact O-CB 3.45Å; P33-T36 PolarHBondContact O-N 2.98Å; V34-T36 VanDerWaalsContact C-N 3.33Å; V34-T36 PolarHBondContact O-N 3.42Å; T36-S40 WeakPolarHBondContact O-CB 3.4Å; T36-S40 PolarHBondContact O-N 3.01Å; T36-S40 PolarHBondContact O-OG 3.26Å; T36-T213 HydrophobicContact CG2-CG2 4.43Å; T36-T213 WeakPolarHBondContact OG1-CG2 3.33Å; T36-N217 PolarHBondContact N-OD1 3.49Å; T36-N217 PolarHBondContact OG1-ND2 3.14Å
37G85.7Confident84.1Confident30 Ų3098.9 Ų98.931%0.30946%0.459SS..Hα-helixtrans-63.1-46.9172.800000112.6P33 V34 G35 I39 S40 F41P33-G37 PolarHBondContact O-N 3.44Å; V34-G37 CarbonylContact O-C 3.03Å; V34-G37 WeakPolarHBondContact O-CA 3.42Å; V34-G37 PolarHBondContact O-N 3.29Å; V34-G37 VanDerWaalsContact O-N 3.12Å; G35-G37 VanDerWaalsContact C-N 3.31Å; G35-G37 PolarHBondContact O-N 3.03Å; G37-I39 PolarHBondContact O-N 3.33Å; G37-S40 PolarHBondContact O-N 2.84Å; G37-F41 PolarHBondContact O-N 2.97Å
38M85.4Confident84.1Confident75 Ų7593.5 Ų93.537%0.36945%0.448SS..Hα-helixtrans-59.4-46.3177.3-69.8171.870.100112.2V34 G35 S40 F41 I42 L216V34-M38 HydrophobicContact CG1-CG 4.48Å; V34-M38 HydrophobicContact CG1-SD 4.25Å; V34-M38 WeakPolarHBondContact O-CG 3.44Å; V34-M38 PolarHBondContact O-N 2.98Å; G35-M38 PolarHBondContact O-N 2.69Å; M38-S40 VanDerWaalsContact C-N 3.34Å; M38-F41 PolarHBondContact O-N 3.3Å; M38-I42 WeakPolarHBondContact O-CG1 3.46Å; M38-I42 PolarHBondContact O-N 2.93Å; M38-L216 HydrophobicContact CB-CD1 4.45Å; M38-L216 HydrophobicContact CE-CD2 4.04Å; M38-L216 HydrophobicContact SD-CD2 4.44Å
39I86.3Confident83.9Confident5 Ų590.9 Ų90.93%0.02644%0.443CS..Hα-helixtrans-69-34.4178.7-66.7-64.2000111.6G35 G37 I42 K43 H209 L212 T213 L216G35-I39 WeakPolarHBondContact O-CG1 3.28Å; G35-I39 PolarHBondContact O-N 3.12Å; G37-I39 PolarHBondContact O-N 3.33Å; I39-I42 HydrophobicContact CD1-CD1 4.44Å; I39-I42 PolarHBondContact O-N 3.03Å; I39-K43 HydrophobicContact CG2-CD 4.14Å; I39-K43 WeakPolarHBondContact O-CB 3.38Å; I39-K43 VanDerWaalsContact O-CG 3.28Å; I39-K43 WeakPolarHBondContact O-CG 3.49Å; I39-K43 PolarHBondContact O-N 3.1Å; I39-H209 HydrophobicContact CG2-CB 4.03Å; I39-L212 HydrophobicContact CD1-CD2 3.59Å; I39-L212 HydrophobicContact CD1-CG 3.87Å; I39-T213 WeakPolarHBondContact CG1-OG1 3.22Å; I39-L216 HydrophobicContact CD1-CD1 3.85Å; I39-L216 HydrophobicContact CG1-CD1 3.82Å
40S85.5Confident83.7Confident61 Ų6188.1 Ų88.143%0.42744%0.443SS..Hα-helixtrans-65.1-39.6172.4-58.70000111.9T36 G37 M38 L44T36-S40 WeakPolarHBondContact O-CB 3.4Å; T36-S40 PolarHBondContact O-N 3.01Å; T36-S40 PolarHBondContact O-OG 3.26Å; G37-S40 PolarHBondContact O-N 2.84Å; M38-S40 VanDerWaalsContact C-N 3.34Å; S40-L44 PolarHBondContact O-N 2.88Å; S40-L44 VanDerWaalsContact O-N 3.11Å
41F87.4Confident84.1Confident146 Ų14683.8 Ų83.864%0.6443%0.427SS*.Hα-helixtrans-65-45.4174178.1-94.8000112.1G37 M38 K43 L44 A45G37-F41 PolarHBondContact O-N 2.97Å; M38-F41 PolarHBondContact O-N 3.3Å; F41-K43 PolarHBondContact O-N 3.33Å; F41-L44 WeakPolarHBondContact O-CB 3.41Å; F41-L44 PolarHBondContact O-N 3.38Å; F41-L44 VanDerWaalsContact O-N 3.08Å; F41-A45 WeakPolarHBondContact O-CB 3.31Å; F41-A45 PolarHBondContact O-N 3.22Å
42I87.9Confident84.5Confident69 Ų6974.4 Ų74.435%0.35441%0.405SS..Hα-helixtrans-62.7-42.4178.1-67.7166.3000111M38 I39 L44 A45 E46M38-I42 WeakPolarHBondContact O-CG1 3.46Å; M38-I42 PolarHBondContact O-N 2.93Å; I39-I42 HydrophobicContact CD1-CD1 4.44Å; I39-I42 PolarHBondContact O-N 3.03Å; I42-L44 PolarHBondContact O-N 2.98Å; I42-A45 PolarHBondContact O-N 3.26Å; I42-E46 PolarHBondContact O-N 2.91Å
43K86.6Confident84.7Confident89 Ų8972.4 Ų72.439%0.38739%0.392SS..Hα-helixtrans-64.5-21.8174.1-74.5174.7177.6179.50114I39 F41 H209I39-K43 HydrophobicContact CG2-CD 4.14Å; I39-K43 WeakPolarHBondContact O-CB 3.38Å; I39-K43 VanDerWaalsContact O-CG 3.28Å; I39-K43 WeakPolarHBondContact O-CG 3.49Å; I39-K43 PolarHBondContact O-N 3.1Å; F41-K43 PolarHBondContact O-N 3.33Å; K43-H209 VanDerWaalsContact CE-CD2 3.41Å; K43-H209 WeakPolarHBondContact CE-CD2 3.39Å; K43-H209 WeakPolarHBondContact CE-ND1 3.31Å
44L87.9Confident85.1Confident117 Ų11776.4 Ų76.461%0.61340%0.399SS*.Hα-helixtrans-84-41.4171.8-177.161000111S40 F41 I42 E46 K47S40-L44 PolarHBondContact O-N 2.88Å; S40-L44 VanDerWaalsContact O-N 3.11Å; F41-L44 WeakPolarHBondContact O-CB 3.41Å; F41-L44 PolarHBondContact O-N 3.38Å; F41-L44 VanDerWaalsContact O-N 3.08Å; I42-L44 PolarHBondContact O-N 2.98Å; L44-E46 PolarHBondContact O-N 3.33Å; L44-K47 WeakPolarHBondContact O-CB 3.27Å; L44-K47 PolarHBondContact O-N 3.2Å
45A87Confident85.5Confident22 Ų2276.1 Ų76.118%0.18239%0.393CS..Hα-helixtrans-62.8-39176.800000112.5F41 I42 K47 S48 Y51F41-A45 WeakPolarHBondContact O-CB 3.31Å; F41-A45 PolarHBondContact O-N 3.22Å; I42-A45 PolarHBondContact O-N 3.26Å; A45-K47 PolarHBondContact O-N 3.02Å; A45-K47 VanDerWaalsContact O-N 3.13Å; A45-S48 VanDerWaalsContact O-CB 3.28Å; A45-S48 WeakPolarHBondContact O-CB 3.39Å; A45-S48 PolarHBondContact O-N 3.34Å; A45-Y51 HydrophobicContact CB-CD2 3.9Å; A45-Y51 HydrophobicContact CB-CE2 3.93Å; A45-Y51 WeakPolarHBondContact O-CB 3.37Å
46E84.9Confident85.9Confident89 Ų8977.9 Ų77.942%0.41640%0.399SS..THydrogen-bonded Turntrans-59-23.8176.4-170.5-179.1177.100113.4I42 L44 S48 Y51I42-E46 PolarHBondContact O-N 2.91Å; L44-E46 PolarHBondContact O-N 3.33Å; E46-S48 VanDerWaalsContact C-N 3.25Å; E46-S48 PolarHBondContact O-N 3.39Å; E46-Y51 HydrophobicContact CB-CD1 4.33Å; E46-Y51 HydrophobicContact CB-CE1 4.36Å
47K84.1Confident86.2Confident171 Ų17178.9 Ų78.974%0.74340%0.402SS*.THydrogen-bonded Turntrans-76.5-10175.5-59.4-178-178.5-174.50113.5L44 A45L44-K47 WeakPolarHBondContact O-CB 3.27Å; L44-K47 PolarHBondContact O-N 3.2Å; A45-K47 PolarHBondContact O-N 3.02Å; A45-K47 VanDerWaalsContact O-N 3.13Å
48S82.7Confident86.5Confident62 Ų6277.6 Ų77.643%0.43439%0.388SS..SBendtrans-80.4130.7176.9-168.50000110.9A45 E46 S50 Y51A45-S48 VanDerWaalsContact O-CB 3.28Å; A45-S48 WeakPolarHBondContact O-CB 3.39Å; A45-S48 PolarHBondContact O-N 3.34Å; E46-S48 VanDerWaalsContact C-N 3.25Å; E46-S48 PolarHBondContact O-N 3.39Å; S48-S50 PolarHBondContact O-N 3.32Å; S48-S50 VanDerWaalsContact O-N 3.14Å; S48-S50 PolarHBondContact OG-OG 3.31Å; S48-Y51 WeakPolarHBondContact O-CB 3.42Å; S48-Y51 PolarHBondContact O-N 3.03Å
49E74.9Confident86.8Confident135 Ų13576 Ų7663%0.63138%0.381SS*.THydrogen-bonded Turntrans-61.6-23.9-177.4-61.2173.8147.100113.5Y53 I87E49-Y53 VanDerWaalsContact O-CD2 3.24Å; E49-Y53 WeakPolarHBondContact O-CD2 3.31Å; E49-I87 WeakPolarHBondContact OE2-CG2 3.44Å
50S77.2Confident86.9Confident75 Ų7577.5 Ų77.552%0.52439%0.389SS..THydrogen-bonded Turntrans-87-10.3175.961.10000114.1S48 G52 Y53S48-S50 PolarHBondContact O-N 3.32Å; S48-S50 VanDerWaalsContact O-N 3.14Å; S48-S50 PolarHBondContact OG-OG 3.31Å; S50-G52 PolarHBondContact O-N 3.31Å; S50-Y53 PolarHBondContact O-N 2.92Å
51Y85.8Confident87Confident102 Ų10281 Ų8140%0.440%0.398SS..THydrogen-bonded Turntrans-71.1129.3-174.1-178.6-94.3000112.3A45 E46 S48 Y53A45-Y51 HydrophobicContact CB-CD2 3.9Å; A45-Y51 HydrophobicContact CB-CE2 3.93Å; A45-Y51 WeakPolarHBondContact O-CB 3.37Å; E46-Y51 HydrophobicContact CB-CD1 4.33Å; E46-Y51 HydrophobicContact CB-CE1 4.36Å; S48-Y51 WeakPolarHBondContact O-CB 3.42Å; S48-Y51 PolarHBondContact O-N 3.03Å; Y51-Y53 VanDerWaalsContact O-CD2 3.23Å; Y51-Y53 WeakPolarHBondContact O-CD2 3.2Å; Y51-Y53 PolarHBondContact O-N 3.47Å
52G85.9Confident86.9Confident42 Ų4280.1 Ų80.143%0.43340%0.4SS..THydrogen-bonded Turntrans74.85.7-179.500000115S50S50-G52 PolarHBondContact O-N 3.31Å
53Y88.1Confident86.8Confident36 Ų3682.3 Ų82.314%0.14141%0.413CS..  trans-98.7138.4178.1-73.7-80.4000112.6E49 S50 Y51 S69 I70 Y72 K73 Y76E49-Y53 VanDerWaalsContact O-CD2 3.24Å; E49-Y53 WeakPolarHBondContact O-CD2 3.31Å; S50-Y53 PolarHBondContact O-N 2.92Å; Y51-Y53 VanDerWaalsContact O-CD2 3.23Å; Y51-Y53 WeakPolarHBondContact O-CD2 3.2Å; Y51-Y53 PolarHBondContact O-N 3.47Å; Y53-S69 WeakPolarHBondContact CB-OG 3.29Å; Y53-S69 WeakPolarHBondContact CD1-OG 3.34Å; Y53-I70 WeakPolarHBondContact CA-O 3.27Å; Y53-Y72 HydrophobicContact CE2-CD1 4.47Å; Y53-Y72 HydrophobicContact CE2-CE1 4.19Å; Y53-K73 WeakPolarHBondContact OH-CB 3.44Å; Y53-K73 WeakPolarHBondContact OH-CD 3.43Å; Y53-K73 WeakPolarHBondContact OH-CG 3.32Å; Y53-Y76 HydrophobicContact CD1-CD2 4.41Å; Y53-Y76 AromaticContact CE1-CD2 3.68Å; Y53-Y76 HydrophobicContact CE1-CD2 3.68Å; Y53-Y76 AromaticContact CE1-CE2 3.65Å; Y53-Y76 HydrophobicContact CE1-CE2 3.65Å; Y53-Y76 AromaticContact CZ-CE2 4Å
54R91.1Very high86.8Confident151 Ų15180.9 Ų80.957%0.5741%0.409SS*.EExtended strand (participates in β ladder)trans-112.7117.6174.7-63.5-175.2176.8-143.2-4.8109.7Y56 S69 I70R54-Y56 HydrophobicContact CB-CE2 3.57Å; R54-Y56 WeakPolarHBondContact O-CD2 3.27Å; R54-Y56 WeakPolarHBondContact O-CE2 3.33Å; R54-S69 CarbonylContact O-C 3.58Å; R54-S69 WeakPolarHBondContact O-CA 3.49Å; R54-I70 PolarHBondContact N-O 3.46Å; R54-I70 PolarHBondContact O-N 3.3Å
55M91.4Very high86.9Confident84 Ų8480.8 Ų80.841%0.41440%0.404SS..EExtended strand (participates in β ladder)trans-97.5135.8-177.3-67.3-177.6-178.600111.7I67 L68 L86M55-I67 HydrophobicContact CB-CG2 3.74Å; M55-I67 HydrophobicContact CG-CG2 4.08Å; M55-I67 HydrophobicContact SD-CG2 4.4Å; M55-L68 CarbonylContact C-O 3.55Å; M55-L68 WeakPolarHBondContact CA-O 3.38Å; M55-L86 HydrophobicContact SD-CD2 4.04Å
56Y92.1Very high87.1Confident36 Ų3679.8 Ų79.814%0.14140%0.396CS..EExtended strand (participates in β ladder)trans-135133.9-177.8-59.4-86.1000110.6R54 I67 L68 I70 V173 T176 V177 S180R54-Y56 HydrophobicContact CB-CE2 3.57Å; R54-Y56 WeakPolarHBondContact O-CD2 3.27Å; R54-Y56 WeakPolarHBondContact O-CE2 3.33Å; Y56-I67 CarbonylContact O-C 3.59Å; Y56-I67 VanDerWaalsContact O-CA 3.29Å; Y56-I67 WeakPolarHBondContact O-CA 3.48Å; Y56-L68 PolarHBondContact N-O 3.08Å; Y56-L68 PolarHBondContact O-N 3.11Å; Y56-I70 HydrophobicContact CD2-CD1 3.95Å; Y56-I70 HydrophobicContact CD2-CG1 4.35Å; Y56-I70 HydrophobicContact CE2-CD1 3.79Å; Y56-I70 HydrophobicContact CE2-CG1 4.32Å; Y56-V173 HydrophobicContact CD1-CG1 4.35Å; Y56-T176 HydrophobicContact CE1-CG2 3.91Å; Y56-V177 HydrophobicContact CD1-CG2 3.68Å; Y56-V177 HydrophobicContact CD2-CG2 3.78Å; Y56-V177 HydrophobicContact CE1-CG2 4.25Å; Y56-V177 HydrophobicContact CE2-CG2 4.35Å; Y56-V177 HydrophobicContact CG-CG2 3.42Å; Y56-V177 VanDerWaalsContact CG-CG2 3.42Å; Y56-S180 PolarHBondContact OH-OG 2.9Å; Y56-S180 VanDerWaalsContact OH-OG 3.11Å
57E91.6Very high87.4Confident60 Ų6076.4 Ų76.428%0.2838%0.38SS..EExtended strand (participates in β ladder)trans-75.9129172.1-179169.5-179.200110.7K65 R80E57-K65 IonicContact OE1-NZ 2.69Å; E57-K65 PolarHBondContact OE1-NZ 2.95Å; E57-R80 IonicContact OE1-CZ 3.19Å; E57-R80 IonicContact OE1-NH1 2.95Å; E57-R80 IonicContact OE1-NH2 3.98Å; E57-R80 IonicContact OE2-CZ 2.88Å; E57-R80 IonicContact OE2-NH1 2.66Å; E57-R80 PolarHBondContact OE2-NH1 3.42Å; E57-R80 IonicContact OE2-NH2 3.93Å; E57-R80 PolarHBondContact OE2-NH2 3.28Å
58A92.1Very high87.7Confident2 Ų268.3 Ų68.32%0.01735%0.345CS..EExtended strand (participates in β ladder)trans-143.6174.9177.200000111C66 L68 F166A58-C66 PolarHBondContact N-O 2.98Å; A58-C66 VanDerWaalsContact N-O 3.11Å; A58-C66 PolarHBondContact O-N 2.74Å; A58-C66 PolarHBondContact O-SG 3.06Å; A58-L68 HydrophobicContact CB-CD1 4.36Å; A58-F166 HydrophobicContact CB-CB 4.36Å
59L92.4Very high88.2Confident43 Ų4365.3 Ų65.323%0.22532%0.324CS..EExtended strand (participates in β ladder)trans-118.3130.3176.9-54.9166.4000108.3N63 D64 K65 F166 T167L59-N63 WeakPolarHBondContact CD1-OD1 3.37Å; L59-D64 CarbonylContact C-O 3.6Å; L59-D64 WeakPolarHBondContact CA-O 3.27Å; L59-K65 HydrophobicContact CD2-CG 3.7Å; L59-F166 CarbonylContact O-C 3.59Å; L59-F166 VanDerWaalsContact O-CA 3.27Å; L59-F166 WeakPolarHBondContact O-CA 3.43Å; L59-T167 PolarHBondContact N-O 3.26Å; L59-T167 PolarHBondContact O-N 3.28Å
60N88.8Confident89.1Confident35 Ų3559 Ų5919%0.18730%0.295CS..  trans-70.1177.4172.7-70.1-10000111.2N62 N63 D64 C66 F166N60-N62 PolarHBondContact O-N 2.99Å; N60-N63 WeakPolarHBondContact O-CA 3.22Å; N60-N63 PolarHBondContact O-N 3.02Å; N60-D64 HydrophobicContact CB-CB 4.25Å; N60-D64 PolarHBondContact N-O 3.1Å; N60-C66 WeakPolarHBondContact OD1-CB 3.41Å; N60-C66 PolarHBondContact OD1-SG 3.31Å; N60-F166 WeakPolarHBondContact OD1-CD1 3.44Å; N60-F166 VanDerWaalsContact OD1-CE1 3.31Å; N60-F166 WeakPolarHBondContact OD1-CE1 3.4Å
61E86.8Confident89.8Confident134 Ų13455.4 Ų55.463%0.62627%0.27SS*.THydrogen-bonded Turntrans-50.5-42.8170.9-60.7-169.1110.700113.1N63 P165E61-N63 PolarHBondContact O-N 3.4Å; E61-P165 VanDerWaalsContact CD-CD 3.48Å; E61-P165 HydrophobicContact CG-CB 4.4Å; E61-P165 HydrophobicContact CG-CG 4.05Å; E61-P165 WeakPolarHBondContact OE1-CD 3.39Å; E61-P165 WeakPolarHBondContact OE1-CG 3.32Å
62N86.2Confident89.9Confident129 Ų12954.2 Ų54.269%0.6927%0.265SS*.THydrogen-bonded Turntrans-68.44.1176.5-60.3-5.7000113.9N60 D64N60-N62 PolarHBondContact O-N 2.99Å; N62-D64 HydrophobicContact CB-CB 4.39Å; N62-D64 PolarHBondContact O-N 3.46Å; N62-D64 VanDerWaalsContact O-N 3.12Å
63N85Confident90.1Very high115 Ų11557.4 Ų57.462%0.61527%0.267SS*.  trans60.611.7-168.7-152.132.7000114.4L59 N60 E61L59-N63 WeakPolarHBondContact CD1-OD1 3.37Å; N60-N63 WeakPolarHBondContact O-CA 3.22Å; N60-N63 PolarHBondContact O-N 3.02Å; E61-N63 PolarHBondContact O-N 3.4Å
64D87.9Confident90.2Very high59 Ų5955.7 Ų55.732%0.31626%0.26SS..  trans-63.6132.5174.2-99.3-42000111.2L59 N60 N62 C66 R79L59-D64 CarbonylContact C-O 3.6Å; L59-D64 WeakPolarHBondContact CA-O 3.27Å; N60-D64 HydrophobicContact CB-CB 4.25Å; N60-D64 PolarHBondContact N-O 3.1Å; N62-D64 HydrophobicContact CB-CB 4.39Å; N62-D64 PolarHBondContact O-N 3.46Å; N62-D64 VanDerWaalsContact O-N 3.12Å; D64-C66 PolarHBondContact O-N 3.47Å; D64-R79 IonicContact OD1-NH2 3.54Å; D64-R79 IonicContact OD2-NH2 3.7Å
65K89.3Confident90.3Very high115 Ų11548.5 Ų48.550%0.523%0.233SC..EExtended strand (participates in β ladder)trans-68.6118.9173.8-75.6-171.6171.8-130.50111.8E57 L59 R80E57-K65 IonicContact OE1-NZ 2.69Å; E57-K65 PolarHBondContact OE1-NZ 2.95Å; L59-K65 HydrophobicContact CD2-CG 3.7Å; K65-R80 HydrophobicContact CB-CB 4.11Å; K65-R80 VanDerWaalsContact O-CB 3.31Å; K65-R80 WeakPolarHBondContact O-CB 3.44Å; K65-R80 PolarHBondContact O-N 3.22Å
66C90.1Very high90.3Very high1 Ų146.4 Ų46.41%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-122.8170.4175.573.30000111.4A58 N60 D64 I77 Y78A58-C66 PolarHBondContact N-O 2.98Å; A58-C66 VanDerWaalsContact N-O 3.11Å; A58-C66 PolarHBondContact O-N 2.74Å; A58-C66 PolarHBondContact O-SG 3.06Å; N60-C66 WeakPolarHBondContact OD1-CB 3.41Å; N60-C66 PolarHBondContact OD1-SG 3.31Å; D64-C66 PolarHBondContact O-N 3.47Å; C66-I77 HydrophobicContact CB-CG2 3.86Å; C66-Y78 CarbonylContact C-O 3.59Å; C66-Y78 WeakPolarHBondContact CA-O 3.38Å
67I91Very high90.3Very high18 Ų1844.8 Ų44.89%0.09221%0.214CC..EExtended strand (participates in β ladder)trans-122.8115.5168.6-65.7173.1000107.9M55 Y56 I77 Y78 R80 L86M55-I67 HydrophobicContact CB-CG2 3.74Å; M55-I67 HydrophobicContact CG-CG2 4.08Å; M55-I67 HydrophobicContact SD-CG2 4.4Å; Y56-I67 CarbonylContact O-C 3.59Å; Y56-I67 VanDerWaalsContact O-CA 3.29Å; Y56-I67 WeakPolarHBondContact O-CA 3.48Å; I67-I77 WeakPolarHBondContact O-CA 3.39Å; I67-Y78 PolarHBondContact N-O 3.06Å; I67-Y78 PolarHBondContact O-N 3.24Å; I67-R80 HydrophobicContact CD1-CG 4.44Å; I67-L86 HydrophobicContact CD1-CD2 3.58Å
68L92.4Very high90.1Very high0 Ų042.9 Ų42.90%021%0.205CC..EExtended strand (participates in β ladder)trans-82.1119.2170.7-103.165.6000108.7M55 Y56 A58 I75 I77 F108 F166 V177M55-L68 CarbonylContact C-O 3.55Å; M55-L68 WeakPolarHBondContact CA-O 3.38Å; Y56-L68 PolarHBondContact N-O 3.08Å; Y56-L68 PolarHBondContact O-N 3.11Å; A58-L68 HydrophobicContact CB-CD1 4.36Å; L68-I75 HydrophobicContact CG-CG2 4.31Å; L68-I77 HydrophobicContact CD1-CG1 4.01Å; L68-I77 HydrophobicContact CD1-CG2 4.29Å; L68-I77 HydrophobicContact CG-CG1 4.44Å; L68-F108 HydrophobicContact CD2-CD1 3.8Å; L68-F108 HydrophobicContact CD2-CE1 3.69Å; L68-F166 HydrophobicContact CD1-CD1 3.62Å; L68-F166 HydrophobicContact CD1-CD2 4.47Å; L68-F166 HydrophobicContact CD1-CE1 3.85Å; L68-F166 HydrophobicContact CD1-CG 3.97Å; L68-F166 HydrophobicContact CD1-CZ 4.38Å; L68-F166 HydrophobicContact CD2-CB 4.49Å; L68-F166 HydrophobicContact CD2-CD2 4.09Å; L68-F166 HydrophobicContact CD2-CG 4.11Å; L68-V177 HydrophobicContact CD2-CG1 4.4Å
69S92.3Very high89.7Confident0 Ų049.1 Ų49.10%023%0.228CC..EExtended strand (participates in β ladder)trans-107.5121.3174.8-174.10000109.5Y53 R54 I75 Y76Y53-S69 WeakPolarHBondContact CB-OG 3.29Å; Y53-S69 WeakPolarHBondContact CD1-OG 3.34Å; R54-S69 CarbonylContact O-C 3.58Å; R54-S69 WeakPolarHBondContact O-CA 3.49Å; S69-I75 WeakPolarHBondContact O-CA 3.39Å; S69-Y76 PolarHBondContact N-O 2.94Å; S69-Y76 PolarHBondContact O-N 3.44Å
70I94.3Very high88.8Confident2 Ų252.9 Ų52.91%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-115.6126-175.2-53.1173000108.6Y53 R54 Y56 W95 V177 A181 Q184Y53-I70 WeakPolarHBondContact CA-O 3.27Å; R54-I70 PolarHBondContact N-O 3.46Å; R54-I70 PolarHBondContact O-N 3.3Å; Y56-I70 HydrophobicContact CD2-CD1 3.95Å; Y56-I70 HydrophobicContact CD2-CG1 4.35Å; Y56-I70 HydrophobicContact CE2-CD1 3.79Å; Y56-I70 HydrophobicContact CE2-CG1 4.32Å; I70-W95 HydrophobicContact CG2-CH2 4.24Å; I70-W95 HydrophobicContact CG2-CZ2 4.14Å; I70-V177 HydrophobicContact CD1-CB 4.42Å; I70-V177 HydrophobicContact CD1-CG1 4.08Å; I70-V177 WeakPolarHBondContact CD1-O 3.13Å; I70-A181 HydrophobicContact CD1-CB 4.29Å; I70-A181 HydrophobicContact CG2-CB 4.23Å; I70-Q184 HydrophobicContact CG2-CG 4.3Å
71G91.4Very high87.7Confident0 Ų054.1 Ų54.10%025%0.251CS..EExtended strand (participates in β ladder)trans-159.3-169.7177.700000113.5K73 G74 W95G71-K73 VanDerWaalsContact C-N 3.27Å; G71-K73 PolarHBondContact O-N 2.89Å; G71-G74 PolarHBondContact N-O 3.16Å; G71-G74 VanDerWaalsContact N-O 3.15Å; G71-G74 PolarHBondContact O-N 3.27Å; G71-W95 WeakPolarHBondContact O-CZ2 3.46Å; G71-W95 PolarHBondContact O-NE1 3.45Å
72Y88.4Confident86.2Confident77 Ų7758.9 Ų58.930%0.30226%0.263SS..THydrogen-bonded Turntrans-67.6-17.7-167.773.3-75.2000115.7Y53 Q184Y53-Y72 HydrophobicContact CE2-CD1 4.47Å; Y53-Y72 HydrophobicContact CE2-CE1 4.19Å; Y72-Q184 VanDerWaalsContact CA-OE1 3.31Å
73K88.6Confident84.5Confident109 Ų10961 Ų6147%0.47427%0.268SS..THydrogen-bonded Turntrans-91.6-30.5176.1-59.7-178.6-174.1171.50113.5Y53 G71 Y76 P94 W95Y53-K73 WeakPolarHBondContact OH-CB 3.44Å; Y53-K73 WeakPolarHBondContact OH-CD 3.43Å; Y53-K73 WeakPolarHBondContact OH-CG 3.32Å; G71-K73 VanDerWaalsContact C-N 3.27Å; G71-K73 PolarHBondContact O-N 2.89Å; K73-Y76 HydrophobicContact CB-CE2 4.17Å; K73-Y76 WeakPolarHBondContact CB-OH 3.49Å; K73-P94 WeakPolarHBondContact O-CA 3.3Å; K73-W95 PolarHBondContact O-N 2.96Å; K73-W95 VanDerWaalsContact O-N 3.12Å
74G91.9Very high83.1Confident0 Ų060.4 Ų60.40%026%0.262CS..EExtended strand (participates in β ladder)trans164.6-163.5-173.500000113.6G71 Y93G71-G74 PolarHBondContact N-O 3.16Å; G71-G74 VanDerWaalsContact N-O 3.15Å; G71-G74 PolarHBondContact O-N 3.27Å; G74-Y93 WeakPolarHBondContact CA-O 3.44Å
75I93.1Very high81.6Confident0 Ų063.3 Ų63.30%028%0.277CS..EExtended strand (participates in β ladder)trans-104.4132.5169.9-54.9177.5000108.4L68 S69 Y93 W95 I98 L101 F108 I110 A181L68-I75 HydrophobicContact CG-CG2 4.31Å; S69-I75 WeakPolarHBondContact O-CA 3.39Å; I75-Y93 PolarHBondContact N-O 2.94Å; I75-Y93 WeakPolarHBondContact O-CA 3.11Å; I75-Y93 PolarHBondContact O-N 2.9Å; I75-W95 HydrophobicContact CD1-CH2 3.82Å; I75-W95 HydrophobicContact CD1-CZ3 3.92Å; I75-W95 HydrophobicContact CG1-CH2 3.43Å; I75-W95 VanDerWaalsContact CG1-CH2 3.43Å; I75-W95 HydrophobicContact CG1-CZ2 4.16Å; I75-W95 HydrophobicContact CG1-CZ3 3.82Å; I75-I98 HydrophobicContact CB-CD1 4.44Å; I75-I98 HydrophobicContact CD1-CD1 4.05Å; I75-I98 HydrophobicContact CG1-CD1 4.09Å; I75-L101 HydrophobicContact CD1-CD2 4Å; I75-F108 HydrophobicContact CD1-CE1 4.45Å; I75-F108 HydrophobicContact CD1-CZ 4.09Å; I75-I110 HydrophobicContact CB-CD1 4.3Å; I75-I110 HydrophobicContact CD1-CD1 3.77Å; I75-I110 HydrophobicContact CD1-CG1 4.18Å; I75-I110 HydrophobicContact CG2-CD1 3.94Å; I75-A181 HydrophobicContact CD1-CB 4.15Å
76Y91.4Very high80.5Confident39 Ų3962.2 Ų62.215%0.15328%0.277CS..EExtended strand (participates in β ladder)trans-124.4143.6179.7-62.6-96000109.4Y53 S69 K73 P89 L91 A92Y53-Y76 HydrophobicContact CD1-CD2 4.41Å; Y53-Y76 AromaticContact CE1-CD2 3.68Å; Y53-Y76 HydrophobicContact CE1-CD2 3.68Å; Y53-Y76 AromaticContact CE1-CE2 3.65Å; Y53-Y76 HydrophobicContact CE1-CE2 3.65Å; Y53-Y76 AromaticContact CZ-CE2 4Å; S69-Y76 PolarHBondContact N-O 2.94Å; S69-Y76 PolarHBondContact O-N 3.44Å; K73-Y76 HydrophobicContact CB-CE2 4.17Å; K73-Y76 WeakPolarHBondContact CB-OH 3.49Å; Y76-P89 HydrophobicContact CD1-CB 4.14Å; Y76-P89 HydrophobicContact CD1-CG 3.91Å; Y76-L91 WeakPolarHBondContact CA-O 3.46Å; Y76-A92 HydrophobicContact CD1-CB 3.52Å; Y76-A92 HydrophobicContact CE1-CB 3.58Å
77I90.4Very high79.3Confident2 Ų266.6 Ų66.61%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-122.4124.8-175.4-53.8167.8000108.8C66 I67 L68 Y90 L91 Y93 F166C66-I77 HydrophobicContact CB-CG2 3.86Å; I67-I77 WeakPolarHBondContact O-CA 3.39Å; L68-I77 HydrophobicContact CD1-CG1 4.01Å; L68-I77 HydrophobicContact CD1-CG2 4.29Å; L68-I77 HydrophobicContact CG-CG1 4.44Å; I77-Y90 WeakPolarHBondContact O-CA 3.36Å; I77-Y90 WeakPolarHBondContact O-CB 3.48Å; I77-Y90 PolarHBondContact O-N 3.42Å; I77-L91 HydrophobicContact CB-CB 4.23Å; I77-L91 HydrophobicContact CD1-CB 4.24Å; I77-L91 HydrophobicContact CD1-CD1 4.23Å; I77-L91 PolarHBondContact N-O 3.48Å; I77-L91 PolarHBondContact O-N 2.78Å; I77-Y93 HydrophobicContact CD1-CD2 4.15Å; I77-Y93 HydrophobicContact CD1-CE2 3.61Å; I77-F166 HydrophobicContact CD1-CE1 3.7Å; I77-F166 HydrophobicContact CD1-CE2 4.44Å; I77-F166 HydrophobicContact CD1-CZ 3.41Å; I77-F166 VanDerWaalsContact CD1-CZ 3.41Å; I77-F166 HydrophobicContact CG1-CZ 4.47Å
78Y87.7Confident78.3Confident20 Ų2070 Ų708%0.07832%0.321CS..EExtended strand (participates in β ladder)trans-109.4140.2178.8-61.5-105.7000109.7C66 I67 L86 T88 P89C66-Y78 CarbonylContact C-O 3.59Å; C66-Y78 WeakPolarHBondContact CA-O 3.38Å; I67-Y78 PolarHBondContact N-O 3.06Å; I67-Y78 PolarHBondContact O-N 3.24Å; Y78-L86 HydrophobicContact CD1-CB 4.47Å; Y78-L86 WeakPolarHBondContact CE1-O 3.47Å; Y78-T88 WeakPolarHBondContact CD1-O 3.49Å; Y78-T88 VanDerWaalsContact CE1-C 3.49Å; Y78-P89 HydrophobicContact CD1-CB 4.31Å; Y78-P89 HydrophobicContact CD2-CB 4.4Å; Y78-P89 HydrophobicContact CE1-CB 3.94Å; Y78-P89 VanDerWaalsContact CE1-N 3.33Å; Y78-P89 HydrophobicContact CE2-CB 3.99Å
79R83.6Confident77.7Confident133 Ų13371.2 Ų71.250%0.50233%0.328SS..EExtended strand (participates in β ladder)trans-83.5127.1177.3-163.5174.1-162.8170.68.1109.9D64 S81D64-R79 IonicContact OD1-NH2 3.54Å; D64-R79 IonicContact OD2-NH2 3.7Å; R79-S81 VanDerWaalsContact C-N 3.25Å; R79-S81 PolarHBondContact O-N 3.35Å
80R73.8Confident77.1Confident122 Ų12275.9 Ų75.946%0.4635%0.347SS..  trans-83.863.5-176.1-163.2-174.7179.9133.5-21.6112.3E57 K65 I67E57-R80 IonicContact OE1-CZ 3.19Å; E57-R80 IonicContact OE1-NH1 2.95Å; E57-R80 IonicContact OE1-NH2 3.98Å; E57-R80 IonicContact OE2-CZ 2.88Å; E57-R80 IonicContact OE2-NH1 2.66Å; E57-R80 PolarHBondContact OE2-NH1 3.42Å; E57-R80 IonicContact OE2-NH2 3.93Å; E57-R80 PolarHBondContact OE2-NH2 3.28Å; K65-R80 HydrophobicContact CB-CB 4.11Å; K65-R80 VanDerWaalsContact O-CB 3.31Å; K65-R80 WeakPolarHBondContact O-CB 3.44Å; K65-R80 PolarHBondContact O-N 3.22Å; I67-R80 HydrophobicContact CD1-CG 4.44Å
81S66.3Low76.6Confident61 Ų6177 Ų7743%0.42735%0.353SS..  trans-82150.7170.8179.20000111.4R79 H83R79-S81 VanDerWaalsContact C-N 3.25Å; R79-S81 PolarHBondContact O-N 3.35Å; S81-H83 PolarHBondContact O-N 3.32Å
82R55.2Low76.5Confident235 Ų23578.2 Ų78.289%0.88736%0.362SS*.THydrogen-bonded Turntrans-63.7-18.5176-70.8-172-178.7-174.11.7113.9
83H49.4Very low76.6Confident173 Ų17375.2 Ų75.280%0.80135%0.351SS*.THydrogen-bonded Turntrans-124.712.5-171.6-57.4-72.1000113.8S81S81-H83 PolarHBondContact O-N 3.32Å
84Q57Low76.7Confident102 Ų10271 Ų7148%0.47733%0.334SS..  trans-113.7119-176.8-162.4161.322.300110.8
85N56.8Low76.7Confident121 Ų12171.1 Ų71.165%0.64734%0.335SS*.  trans-65.6140-179.9-62.6-54.9000110.8I87N85-I87 HydrophobicContact CB-CB 4.28Å; N85-I87 HydrophobicContact CB-CD1 3.85Å; N85-I87 HydrophobicContact CB-CG1 3.96Å; N85-I87 PolarHBondContact O-N 3.07Å
86L65.9Low76.5Confident92 Ų9276.6 Ų76.648%0.48236%0.355SS..THydrogen-bonded Turntrans-75.133.8177.7-61.281.9000112.8M55 I67 Y78M55-L86 HydrophobicContact SD-CD2 4.04Å; I67-L86 HydrophobicContact CD1-CD2 3.58Å; Y78-L86 HydrophobicContact CD1-CB 4.47Å; Y78-L86 WeakPolarHBondContact CE1-O 3.47Å
87I64.9Low76.3Confident93 Ų9375.6 Ų75.648%0.47735%0.353SS..THydrogen-bonded Turntrans-96.4-57.1-175.6-66174.6000108.1E49 N85 P89E49-I87 WeakPolarHBondContact OE2-CG2 3.44Å; N85-I87 HydrophobicContact CB-CB 4.28Å; N85-I87 HydrophobicContact CB-CD1 3.85Å; N85-I87 HydrophobicContact CB-CG1 3.96Å; N85-I87 PolarHBondContact O-N 3.07Å; I87-P89 WeakPolarHBondContact O-CD 3.41Å
88T70.6Confident76.4Confident89 Ų8975.8 Ų75.855%0.54635%0.354SS..SBendtrans-90.1118.8178.4-41.70000110.9Y78 I131Y78-T88 WeakPolarHBondContact CD1-O 3.49Å; Y78-T88 VanDerWaalsContact CE1-C 3.49Å; T88-I131 HydrophobicContact CG2-CD1 4.35Å
89P78.7Confident76.4Confident25 Ų2577.7 Ų77.716%0.16237%0.366CS..  trans-68.8152.4170.629.6-33.8000110.7Y76 Y78 I87 I131Y76-P89 HydrophobicContact CD1-CB 4.14Å; Y76-P89 HydrophobicContact CD1-CG 3.91Å; Y78-P89 HydrophobicContact CD1-CB 4.31Å; Y78-P89 HydrophobicContact CD2-CB 4.4Å; Y78-P89 HydrophobicContact CE1-CB 3.94Å; Y78-P89 VanDerWaalsContact CE1-N 3.33Å; Y78-P89 HydrophobicContact CE2-CB 3.99Å; I87-P89 WeakPolarHBondContact O-CD 3.41Å; P89-I131 WeakPolarHBondContact O-CD1 3.4Å
90Y78.9Confident76.8Confident99 Ų9974.5 Ų74.539%0.38836%0.359SS..SBendtrans-84.4-35.9172.7170.5-115000111.9I77I77-Y90 WeakPolarHBondContact O-CA 3.36Å; I77-Y90 WeakPolarHBondContact O-CB 3.48Å; I77-Y90 PolarHBondContact O-N 3.42Å
91L85.2Confident77.8Confident26 Ų2669.1 Ų69.114%0.13634%0.339CS..EExtended strand (participates in β ladder)trans-134.6146.2174-66.2163.3000110Y76 I77 Y93 L130Y76-L91 WeakPolarHBondContact CA-O 3.46Å; I77-L91 HydrophobicContact CB-CB 4.23Å; I77-L91 HydrophobicContact CD1-CB 4.24Å; I77-L91 HydrophobicContact CD1-CD1 4.23Å; I77-L91 PolarHBondContact N-O 3.48Å; I77-L91 PolarHBondContact O-N 2.78Å; L91-Y93 HydrophobicContact CB-CE2 4.42Å; L91-L130 HydrophobicContact CD2-CD2 3.67Å
92A88.1Confident79.1Confident24 Ų2471.1 Ų71.120%0.19834%0.338CS..EExtended strand (participates in β ladder)trans-132.9123.9179.900000110.5Y76Y76-A92 HydrophobicContact CD1-CB 3.52Å; Y76-A92 HydrophobicContact CE1-CB 3.58Å
93Y90.4Very high80.9Confident15 Ų1563.6 Ų63.66%0.05931%0.31CS..EExtended strand (participates in β ladder)trans-12490.2-179.3-57.9-45.5000110.1G74 I75 I77 L91 I98 I110 I112 F164G74-Y93 WeakPolarHBondContact CA-O 3.44Å; I75-Y93 PolarHBondContact N-O 2.94Å; I75-Y93 WeakPolarHBondContact O-CA 3.11Å; I75-Y93 PolarHBondContact O-N 2.9Å; I77-Y93 HydrophobicContact CD1-CD2 4.15Å; I77-Y93 HydrophobicContact CD1-CE2 3.61Å; L91-Y93 HydrophobicContact CB-CE2 4.42Å; Y93-I98 WeakPolarHBondContact O-CD1 3.36Å; Y93-I110 HydrophobicContact CD2-CD1 4.21Å; Y93-I112 HydrophobicContact CD1-CD1 3.28Å; Y93-I112 HydrophobicContact CD2-CD1 3.64Å; Y93-I112 HydrophobicContact CE1-CD1 3.5Å; Y93-I112 VanDerWaalsContact CE1-CD1 3.5Å; Y93-I112 HydrophobicContact CE2-CD1 3.83Å; Y93-I112 HydrophobicContact CG-CD1 3.34Å; Y93-F164 HydrophobicContact CE1-CE2 4.49Å; Y93-F164 HydrophobicContact CE2-CD2 4.44Å; Y93-F164 WeakPolarHBondContact OH-CE1 3.39Å; Y93-F164 WeakPolarHBondContact OH-CZ 3.36Å
94P91.1Very high83Confident19 Ų1964.5 Ų64.512%0.12331%0.306CS..EExtended strand (participates in β ladder)trans-63.9149.8178.1-21.934000112.2K73 R96 V97K73-P94 WeakPolarHBondContact O-CA 3.3Å; P94-R96 HydrophobicContact CB-CG 4.19Å; P94-R96 PolarHBondContact O-N 3.37Å; P94-V97 WeakPolarHBondContact O-CG2 3.46Å; P94-V97 PolarHBondContact O-N 2.84Å
95W92.8Very high84.8Confident3 Ų364.5 Ų64.51%0.01131%0.309CS..THydrogen-bonded Turntrans-57.4-15.1-178.2-65124.7000115.1I70 G71 K73 I75 I98 L101 A181 Q184 H185 F188I70-W95 HydrophobicContact CG2-CH2 4.24Å; I70-W95 HydrophobicContact CG2-CZ2 4.14Å; G71-W95 WeakPolarHBondContact O-CZ2 3.46Å; G71-W95 PolarHBondContact O-NE1 3.45Å; K73-W95 PolarHBondContact O-N 2.96Å; K73-W95 VanDerWaalsContact O-N 3.12Å; I75-W95 HydrophobicContact CD1-CH2 3.82Å; I75-W95 HydrophobicContact CD1-CZ3 3.92Å; I75-W95 HydrophobicContact CG1-CH2 3.43Å; I75-W95 VanDerWaalsContact CG1-CH2 3.43Å; I75-W95 HydrophobicContact CG1-CZ2 4.16Å; I75-W95 HydrophobicContact CG1-CZ3 3.82Å; W95-I98 HydrophobicContact CE3-CD1 3.74Å; W95-I98 HydrophobicContact CZ3-CD1 3.76Å; W95-L101 HydrophobicContact CZ3-CD1 4.18Å; W95-A181 HydrophobicContact CH2-CB 3.98Å; W95-A181 WeakPolarHBondContact CH2-O 3.2Å; W95-Q184 HydrophobicContact CH2-CB 4.33Å; W95-Q184 HydrophobicContact CZ2-CB 3.46Å; W95-Q184 VanDerWaalsContact CZ2-CB 3.46Å; W95-Q184 HydrophobicContact CZ2-CG 4.49Å; W95-H185 HydrophobicContact CD2-CB 4.11Å; W95-H185 HydrophobicContact CE3-CB 3.65Å; W95-H185 AromaticContact CE3-CG 3.76Å; W95-H185 HydrophobicContact CH2-CB 4.46Å; W95-H185 HydrophobicContact CZ3-CB 3.86Å; W95-F188 HydrophobicContact CB-CB 4.04Å; W95-F188 HydrophobicContact CB-CD1 3.41Å; W95-F188 VanDerWaalsContact CB-CD1 3.41Å; W95-F188 HydrophobicContact CB-CD2 3.87Å; W95-F188 HydrophobicContact CB-CE1 3.69Å; W95-F188 HydrophobicContact CB-CE2 4.13Å; W95-F188 HydrophobicContact CB-CG 3.49Å; W95-F188 VanDerWaalsContact CB-CG 3.49Å; W95-F188 HydrophobicContact CB-CZ 4.04Å; W95-F188 HydrophobicContact CG-CB 4.06Å; W95-F188 HydrophobicContact CG-CD1 4.31Å; W95-F188 HydrophobicContact CG-CD2 4.45Å; W95-F188 HydrophobicContact CG-CG 4.03Å
96R87.8Confident86.6Confident116 Ų11663.4 Ų63.444%0.43830%0.299SS..THydrogen-bonded Turntrans-75.5-19.8176.774.7-159.9155.3-178.7-2.3115.1P94 D127 F188P94-R96 HydrophobicContact CB-CG 4.19Å; P94-R96 PolarHBondContact O-N 3.37Å; R96-D127 IonicContact CZ-OD1 2.8Å; R96-D127 IonicContact CZ-OD2 3.6Å; R96-D127 IonicContact NE-OD1 2.75Å; R96-D127 IonicContact NE-OD2 3.77Å; R96-D127 PolarHBondContact NE-OD2 3.43Å; R96-D127 IonicContact NH1-OD1 2.74Å; R96-D127 PolarHBondContact NH1-OD1 3.39Å; R96-D127 IonicContact NH1-OD2 2.62Å; R96-D127 PolarHBondContact NH1-OD2 3.07Å; R96-D127 PolarHBondContact NH2-O 2.94Å; R96-D127 IonicContact NH2-OD1 3.49Å; R96-D127 PolarHBondContact NH2-OD1 2.67Å; R96-D127 IonicContact NH2-OD2 3.05Å; R96-F188 HydrophobicContact CB-CZ 4.1Å
97V88.9Confident87.9Confident17 Ų1765.2 Ų65.210%0.10330%0.303CS..THydrogen-bonded Turntrans-108.9-12.6-178-57.10000113.8P94 D99 I112 R113P94-V97 WeakPolarHBondContact O-CG2 3.46Å; P94-V97 PolarHBondContact O-N 2.84Å; V97-D99 PolarHBondContact O-N 3.19Å; V97-I112 HydrophobicContact CB-CG2 4.26Å; V97-I112 HydrophobicContact CG2-CG2 4.09Å; V97-I112 WeakPolarHBondContact O-CA 3.36Å; V97-R113 PolarHBondContact O-N 3.4Å; V97-R113 VanDerWaalsContact O-N 3.14Å
98I91.3Very high89.4Confident6 Ų660.8 Ų60.83%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-80.4114.1176.1-63.3172000108.1I75 Y93 W95 L101 I110 E111I75-I98 HydrophobicContact CB-CD1 4.44Å; I75-I98 HydrophobicContact CD1-CD1 4.05Å; I75-I98 HydrophobicContact CG1-CD1 4.09Å; Y93-I98 WeakPolarHBondContact O-CD1 3.36Å; W95-I98 HydrophobicContact CE3-CD1 3.74Å; W95-I98 HydrophobicContact CZ3-CD1 3.76Å; I98-L101 HydrophobicContact CG2-CD2 3.81Å; I98-L101 HydrophobicContact CG2-CG 4.04Å; I98-I110 HydrophobicContact CD1-CG2 4.12Å; I98-I110 HydrophobicContact CG1-CG2 3.89Å; I98-I110 HydrophobicContact CG2-CG2 3.96Å; I98-E111 CarbonylContact C-O 3.52Å; I98-E111 WeakPolarHBondContact CA-O 3.49Å
99D88.8Confident90.5Very high61 Ų6157.4 Ų57.433%0.32626%0.26SS..EExtended strand (participates in β ladder)trans-81.9-43176.9-98.4-1.3000111.2V97 E111 R113V97-D99 PolarHBondContact O-N 3.19Å; D99-E111 HydrophobicContact CB-CG 4.37Å; D99-E111 PolarHBondContact N-O 3.14Å; D99-R113 IonicContact OD1-CZ 3.34Å; D99-R113 IonicContact OD1-NE 2.75Å; D99-R113 PolarHBondContact OD1-NE 2.85Å; D99-R113 IonicContact OD1-NH2 3.56Å; D99-R113 PolarHBondContact OD1-NH2 2.88Å; D99-R113 IonicContact OD2-CZ 2.72Å; D99-R113 IonicContact OD2-NE 3.63Å; D99-R113 PolarHBondContact OD2-NE 2.82Å; D99-R113 IonicContact OD2-NH2 2.64Å; D99-R113 PolarHBondContact OD2-NH2 3.11Å
100N91.6Very high91.2Very high66 Ų6656.2 Ų56.235%0.35325%0.252SS..EExtended strand (participates in β ladder)trans-151.2162.7-173.2-153.4-4.3000112.9Y102 E111N100-Y102 HydrophobicContact CB-CE2 4.17Å; N100-Y102 WeakPolarHBondContact ND2-CE1 3.32Å; N100-Y102 PolarHBondContact ND2-OH 2.91Å; N100-E111 HydrophobicContact CB-CB 3.76Å; N100-E111 HydrophobicContact CB-CG 4.4Å; N100-E111 VanDerWaalsContact CB-OE2 3.27Å; N100-E111 WeakPolarHBondContact CB-OE2 3.41Å; N100-E111 PolarHBondContact N-O 2.86Å; N100-E111 PolarHBondContact O-N 3.44Å
101L94.4Very high91.9Very high8 Ų853 Ų534%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-137.5103.6-177.7-67.3174.9000110.4I75 W95 I98 F108 I110 W178 A181 I182I75-L101 HydrophobicContact CD1-CD2 4Å; W95-L101 HydrophobicContact CZ3-CD1 4.18Å; I98-L101 HydrophobicContact CG2-CD2 3.81Å; I98-L101 HydrophobicContact CG2-CG 4.04Å; L101-F108 HydrophobicContact CB-CE2 4.44Å; L101-F108 HydrophobicContact CD2-CE2 4.22Å; L101-F108 HydrophobicContact CD2-CZ 3.9Å; L101-I110 HydrophobicContact CD2-CB 4.36Å; L101-I110 HydrophobicContact CD2-CG1 4.13Å; L101-I110 HydrophobicContact CD2-CG2 4.04Å; L101-W178 PolarHBondContact O-NE1 2.88Å; L101-A181 HydrophobicContact CD1-CB 3.65Å; L101-I182 HydrophobicContact CB-CD1 4.16Å; L101-I182 HydrophobicContact CD1-CD1 4.05Å; L101-I182 HydrophobicContact CD1-CG1 4.46Å
102Y93.9Very high92.1Very high103 Ų10352.3 Ų52.340%0.40424%0.237SC..EExtended strand (participates in β ladder)trans-91148.1179.9-59-77000111.9N100 F108 S109 E111 L163N100-Y102 HydrophobicContact CB-CE2 4.17Å; N100-Y102 WeakPolarHBondContact ND2-CE1 3.32Å; N100-Y102 PolarHBondContact ND2-OH 2.91Å; Y102-F108 CarbonylContact O-C 3.51Å; Y102-F108 WeakPolarHBondContact O-CA 3.38Å; Y102-F108 WeakPolarHBondContact O-CD2 3.36Å; Y102-S109 PolarHBondContact N-O 3.08Å; Y102-S109 PolarHBondContact O-N 2.83Å; Y102-E111 HydrophobicContact CE2-CB 3.98Å; Y102-E111 HydrophobicContact CE2-CG 4.48Å; Y102-E111 WeakPolarHBondContact CE2-OE2 3.43Å; Y102-E111 VanDerWaalsContact CZ-OE2 3.26Å; Y102-E111 PolarHBondContact OH-OE2 2.91Å; Y102-L163 HydrophobicContact CD2-CD1 3.84Å; Y102-L163 HydrophobicContact CE2-CD1 4.04Å
103Y93.4Very high91.7Very high78 Ų7857.1 Ų57.131%0.30625%0.25SS..EExtended strand (participates in β ladder)trans-144.3132.9173.3162.1-113000110.1D105 K107 C174 R175 W178Y103-D105 WeakPolarHBondContact CE2-O 3.47Å; Y103-D105 PolarHBondContact OH-O 2.76Å; Y103-K107 WeakPolarHBondContact CA-O 3.32Å; Y103-C174 HydrophobicContact CD2-CB 4.15Å; Y103-C174 VanDerWaalsContact CD2-SG 3.53Å; Y103-C174 HydrophobicContact CE2-CB 3.63Å; Y103-C174 VanDerWaalsContact CE2-SG 3.56Å; Y103-R175 HydrophobicContact CE1-CB 4.24Å; Y103-R175 HydrophobicContact CE1-CG 4.35Å; Y103-W178 VanDerWaalsContact CB-CD1 3.43Å; Y103-W178 HydrophobicContact CG-CB 4.12Å; Y103-W178 HydrophobicContact CG-CG 4.16Å
104R93.1Very high90.8Very high191 Ų19159.6 Ų59.672%0.72126%0.262SS*.EExtended strand (participates in β ladder)trans-153.6124.4170.2177.5167.8179.7168.74.1110.5K106 K107R104-K106 PolarHBondContact O-N 3.21Å; R104-K107 PolarHBondContact N-O 3.18Å; R104-K107 PolarHBondContact O-N 2.95Å
105D93.5Very high89.2Confident102 Ų10262.6 Ų62.655%0.54528%0.282SS..THydrogen-bonded Turntrans55.8-97.2174.8-51.4-45.7000113.7Y103 P171Y103-D105 WeakPolarHBondContact CE2-O 3.47Å; Y103-D105 PolarHBondContact OH-O 2.76Å; D105-P171 VanDerWaalsContact O-CA 3.22Å; D105-P171 WeakPolarHBondContact O-CA 3.41Å; D105-P171 VanDerWaalsContact O-CB 3.28Å; D105-P171 WeakPolarHBondContact O-CB 3.34Å
106K94.6Very high87.2Confident99 Ų9970 Ų7043%0.4331%0.314SS..THydrogen-bonded Turntrans-109.6-1173.4-66.6-166.1-176.2-1640114R104 T167 C168 Q169 P171 C174R104-K106 PolarHBondContact O-N 3.21Å; K106-T167 HydrophobicContact CB-CG2 4.29Å; K106-T167 CarbonylContact O-C 3.59Å; K106-T167 WeakPolarHBondContact O-CA 3.45Å; K106-C168 PolarHBondContact O-N 3.27Å; K106-Q169 WeakPolarHBondContact CE-O 3.45Å; K106-Q169 PolarHBondContact NZ-O 3.04Å; K106-P171 HydrophobicContact CG-CG 4.01Å; K106-C174 PolarHBondContact O-SG 3.11Å; K106-C174 VanDerWaalsContact O-SG 3.4Å
107K94Very high85.2Confident129 Ų12974.2 Ų74.256%0.56134%0.336SS*.EExtended strand (participates in β ladder)trans-102.2132-177.4-65.3-170.8176.1-171.70110.9Y103 R104 F166 C174Y103-K107 WeakPolarHBondContact CA-O 3.32Å; R104-K107 PolarHBondContact N-O 3.18Å; R104-K107 PolarHBondContact O-N 2.95Å; K107-F166 WeakPolarHBondContact CA-O 3.27Å; K107-C174 VanDerWaalsContact C-SG 3.57Å
108F95.8Very high82.8Confident0 Ų078.7 Ų78.70%036%0.359CS..EExtended strand (participates in β ladder)trans-123.2128.3171.5166.8-104.1000107.4L68 I75 L101 Y102 I110 F166 V177 W178 A181L68-F108 HydrophobicContact CD2-CD1 3.8Å; L68-F108 HydrophobicContact CD2-CE1 3.69Å; I75-F108 HydrophobicContact CD1-CE1 4.45Å; I75-F108 HydrophobicContact CD1-CZ 4.09Å; L101-F108 HydrophobicContact CB-CE2 4.44Å; L101-F108 HydrophobicContact CD2-CE2 4.22Å; L101-F108 HydrophobicContact CD2-CZ 3.9Å; Y102-F108 CarbonylContact O-C 3.51Å; Y102-F108 WeakPolarHBondContact O-CA 3.38Å; Y102-F108 WeakPolarHBondContact O-CD2 3.36Å; F108-I110 HydrophobicContact CD1-CG1 4.49Å; F108-I110 HydrophobicContact CE1-CD1 4.11Å; F108-I110 HydrophobicContact CE1-CG1 3.69Å; F108-I110 HydrophobicContact CZ-CG1 4.06Å; F108-F166 HydrophobicContact CD1-CD2 4.07Å; F108-F166 PolarHBondContact N-O 3.31Å; F108-F166 PolarHBondContact O-N 3.49Å; F108-V177 HydrophobicContact CB-CG1 4.35Å; F108-V177 HydrophobicContact CD1-CG1 3.66Å; F108-V177 HydrophobicContact CD2-CG1 3.97Å; F108-V177 HydrophobicContact CE1-CG1 3.81Å; F108-V177 HydrophobicContact CE2-CG1 4.1Å; F108-V177 HydrophobicContact CG-CG1 3.73Å; F108-V177 HydrophobicContact CZ-CG1 4.02Å; F108-W178 HydrophobicContact CD2-CB 4.04Å; F108-W178 HydrophobicContact CE2-CB 4.21Å; F108-W178 AromaticContact CE2-CD1 4Å; F108-A181 HydrophobicContact CE2-CB 4.43Å; F108-A181 HydrophobicContact CZ-CB 4.18Å
109S94.4Very high80.3Confident18 Ų1887 Ų8713%0.12640%0.398CS..EExtended strand (participates in β ladder)trans-128.3132.7-177.6-49.90000111.8Y102 F164Y102-S109 PolarHBondContact N-O 3.08Å; Y102-S109 PolarHBondContact O-N 2.83Å; S109-F164 CarbonylContact C-O 3.18Å; S109-F164 VanDerWaalsContact CA-O 3.27Å; S109-F164 WeakPolarHBondContact CA-O 3.44Å
110I94.2Very high78Confident0 Ų088.9 Ų88.90%042%0.416CS..EExtended strand (participates in β ladder)trans-95.9125177.1-50.8173000108.3I75 Y93 I98 L101 F108 I112 L163 F164 F166I75-I110 HydrophobicContact CB-CD1 4.3Å; I75-I110 HydrophobicContact CD1-CD1 3.77Å; I75-I110 HydrophobicContact CD1-CG1 4.18Å; I75-I110 HydrophobicContact CG2-CD1 3.94Å; Y93-I110 HydrophobicContact CD2-CD1 4.21Å; I98-I110 HydrophobicContact CD1-CG2 4.12Å; I98-I110 HydrophobicContact CG1-CG2 3.89Å; I98-I110 HydrophobicContact CG2-CG2 3.96Å; L101-I110 HydrophobicContact CD2-CB 4.36Å; L101-I110 HydrophobicContact CD2-CG1 4.13Å; L101-I110 HydrophobicContact CD2-CG2 4.04Å; F108-I110 HydrophobicContact CD1-CG1 4.49Å; F108-I110 HydrophobicContact CE1-CD1 4.11Å; F108-I110 HydrophobicContact CE1-CG1 3.69Å; F108-I110 HydrophobicContact CZ-CG1 4.06Å; I110-I112 HydrophobicContact CG2-CD1 3.98Å; I110-I112 HydrophobicContact CG2-CG1 3.71Å; I110-L163 WeakPolarHBondContact O-CA 3.49Å; I110-F164 PolarHBondContact N-O 2.96Å; I110-F164 PolarHBondContact O-N 2.92Å; I110-F166 HydrophobicContact CD1-CD2 4.42Å; I110-F166 HydrophobicContact CD1-CE2 3.65Å; I110-F166 HydrophobicContact CD1-CZ 4.39Å; I110-F166 HydrophobicContact CG1-CD2 4.43Å; I110-F166 HydrophobicContact CG1-CE2 3.92Å
111E92.9Very high75.1Confident31 Ų3189.1 Ų89.115%0.14542%0.423CS..EExtended strand (participates in β ladder)trans-95.1124171.3-169-178.2154.100109.5I98 D99 N100 Y102 V161 L163I98-E111 CarbonylContact C-O 3.52Å; I98-E111 WeakPolarHBondContact CA-O 3.49Å; D99-E111 HydrophobicContact CB-CG 4.37Å; D99-E111 PolarHBondContact N-O 3.14Å; N100-E111 HydrophobicContact CB-CB 3.76Å; N100-E111 HydrophobicContact CB-CG 4.4Å; N100-E111 VanDerWaalsContact CB-OE2 3.27Å; N100-E111 WeakPolarHBondContact CB-OE2 3.41Å; N100-E111 PolarHBondContact N-O 2.86Å; N100-E111 PolarHBondContact O-N 3.44Å; Y102-E111 HydrophobicContact CE2-CB 3.98Å; Y102-E111 HydrophobicContact CE2-CG 4.48Å; Y102-E111 WeakPolarHBondContact CE2-OE2 3.43Å; Y102-E111 VanDerWaalsContact CZ-OE2 3.26Å; Y102-E111 PolarHBondContact OH-OE2 2.91Å; E111-V161 HydrophobicContact CG-CG1 3.37Å; E111-V161 WeakPolarHBondContact OE1-CG1 3.47Å; E111-L163 HydrophobicContact CB-CD1 4.35Å
112I89.9Confident72.5Confident12 Ų1297.5 Ų97.56%0.06246%0.462CS..EExtended strand (participates in β ladder)trans-125.4129.4-175.3-56-170.7000109.2Y93 V97 I110 L162 F164Y93-I112 HydrophobicContact CD1-CD1 3.28Å; Y93-I112 HydrophobicContact CD2-CD1 3.64Å; Y93-I112 HydrophobicContact CE1-CD1 3.5Å; Y93-I112 VanDerWaalsContact CE1-CD1 3.5Å; Y93-I112 HydrophobicContact CE2-CD1 3.83Å; Y93-I112 HydrophobicContact CG-CD1 3.34Å; V97-I112 HydrophobicContact CB-CG2 4.26Å; V97-I112 HydrophobicContact CG2-CG2 4.09Å; V97-I112 WeakPolarHBondContact O-CA 3.36Å; I110-I112 HydrophobicContact CG2-CD1 3.98Å; I110-I112 HydrophobicContact CG2-CG1 3.71Å; I112-L162 PolarHBondContact N-O 2.92Å; I112-L162 PolarHBondContact O-N 3.4Å; I112-F164 HydrophobicContact CB-CE2 4.3Å; I112-F164 HydrophobicContact CD1-CD2 3.73Å; I112-F164 HydrophobicContact CD1-CE2 3.8Å; I112-F164 HydrophobicContact CG1-CD2 4.07Å; I112-F164 HydrophobicContact CG1-CE2 4.23Å
113R80.1Confident69.7Low125 Ų125100.4 Ų100.447%0.47248%0.484SS..EExtended strand (participates in β ladder)trans-85.1122.3174-170.8179.3-64177.43109.2V97 D99 P159V97-R113 PolarHBondContact O-N 3.4Å; V97-R113 VanDerWaalsContact O-N 3.14Å; D99-R113 IonicContact OD1-CZ 3.34Å; D99-R113 IonicContact OD1-NE 2.75Å; D99-R113 PolarHBondContact OD1-NE 2.85Å; D99-R113 IonicContact OD1-NH2 3.56Å; D99-R113 PolarHBondContact OD1-NH2 2.88Å; D99-R113 IonicContact OD2-CZ 2.72Å; D99-R113 IonicContact OD2-NE 3.63Å; D99-R113 PolarHBondContact OD2-NE 2.82Å; D99-R113 IonicContact OD2-NH2 2.64Å; D99-R113 PolarHBondContact OD2-NH2 3.11Å; R113-P159 HydrophobicContact CG-CB 4.01Å; R113-P159 HydrophobicContact CG-CG 4.43Å
114E71.3Confident66.9Low67 Ų67101.2 Ų101.231%0.31350%0.497SS..PPolyproline II helixtrans-58.7126.9168.9-81.2-173.9-155.500109.5K116 R160 L162E114-K116 PolarHBondContact O-N 2.95Å; E114-R160 HydrophobicContact CB-CB 4.2Å; E114-R160 VanDerWaalsContact CD-CB 3.45Å; E114-R160 HydrophobicContact CG-CB 3.96Å; E114-R160 PolarHBondContact N-O 2.74Å; E114-R160 WeakPolarHBondContact OE1-CB 3.28Å; E114-R160 VanDerWaalsContact OE1-CD 3.28Å; E114-R160 WeakPolarHBondContact OE1-CD 3.44Å; E114-R160 WeakPolarHBondContact OE2-CD 3.4Å; E114-L162 HydrophobicContact CG-CD1 3.91Å; E114-L162 HydrophobicContact CG-CG 4.14Å
115P56.1Low64.3Low83 Ų8396.7 Ų96.754%0.53950%0.495SS..PPolyproline II helixtrans-64.4134.5171.327.7-33000108.8K117 V128P115-K117 PolarHBondContact O-N 2.89Å; P115-K117 VanDerWaalsContact O-N 3.09Å; P115-V128 HydrophobicContact CG-CG2 4.32Å
116K50.4Low61.9Low157 Ų15797.7 Ų97.768%0.68350%0.5SS*.PPolyproline II helixtrans-60.8117.3174.3-69.3-173.2176.1-172.80108.8E114 N118E114-K116 PolarHBondContact O-N 2.95Å; K116-N118 VanDerWaalsContact C-N 3.26Å; K116-N118 PolarHBondContact O-N 2.82Å
117K47Very low59.5Low206 Ų20696.1 Ų96.190%0.89650%0.496SS*.  trans-66.487168.7-70.5-167.9176.6-1700109.4P115P115-K117 PolarHBondContact O-N 2.89Å; P115-K117 VanDerWaalsContact O-N 3.09Å
118N38Very low57.3Low111 Ų11193.3 Ų93.359%0.59449%0.49SS*.  trans-83.5116.2167-69.7-3.5000107.9K116 S120K116-N118 VanDerWaalsContact C-N 3.26Å; K116-N118 PolarHBondContact O-N 2.82Å; N118-S120 PolarHBondContact O-N 3.01Å
119E39.3Very low54.8Low180 Ų18097.2 Ų97.284%0.84151%0.51SS*.SBendtrans-7437.5178.1-57.4172.8140.400112.4
120S39.1Very low52.3Low100 Ų100100.7 Ų100.770%0.69953%0.527SS*.  trans-155.547.5-168.171.90000113.5N118N118-S120 PolarHBondContact O-N 3.01Å
121S30.9Very low50Low71 Ų71104.2 Ų104.250%0.49755%0.545SS..  trans-159.587.7160.359.70000110.8
122E39.7Very low47.4Very low185 Ų185108.3 Ų108.386%0.86457%0.568SS**SBendtrans-55.8146.4147.9-63.8177.7140.900107.8
123N35.4Very low45.4Very low163 Ų163111.1 Ų111.187%0.87258%0.583SS**SBendtrans80.132.2-166.5-46.3-68.3000117.1
124V35.7Very low43.7Very low96 Ų96114.7 Ų114.758%0.58260%0.596SS**  trans-129.782.2157.2-171.60000110.7
125S38.5Very low42.5Very low96 Ų96119.2 Ų119.267%0.67162%0.617SS**  trans-80.8153.5174.7-510000112.6D127S125-D127 PolarHBondContact O-N 3.34Å
126D42.5Very low42Very low123 Ų123120.1 Ų120.166%0.65862%0.617SS**  trans64.424157-65.9-3.2000119.8I129D126-I129 HydrophobicContact CB-CD1 3.99Å; D126-I129 HydrophobicContact CB-CG1 4.23Å
127D44.3Very low42.1Very low66 Ų66116 Ų11635%0.35361%0.608SS.*SBendtrans-84.6-20.8-176.3-100.237.3000117R96 S125R96-D127 IonicContact CZ-OD1 2.8Å; R96-D127 IonicContact CZ-OD2 3.6Å; R96-D127 IonicContact NE-OD1 2.75Å; R96-D127 IonicContact NE-OD2 3.77Å; R96-D127 PolarHBondContact NE-OD2 3.43Å; R96-D127 IonicContact NH1-OD1 2.74Å; R96-D127 PolarHBondContact NH1-OD1 3.39Å; R96-D127 IonicContact NH1-OD2 2.62Å; R96-D127 PolarHBondContact NH1-OD2 3.07Å; R96-D127 PolarHBondContact NH2-O 2.94Å; R96-D127 IonicContact NH2-OD1 3.49Å; R96-D127 PolarHBondContact NH2-OD1 2.67Å; R96-D127 IonicContact NH2-OD2 3.05Å; S125-D127 PolarHBondContact O-N 3.34Å
128V46.8Very low42.2Very low70 Ų70112.1 Ų112.142%0.42459%0.593SS.*SBendtrans-142.294.1163.2-177.20000109.6P115 L130P115-V128 HydrophobicContact CG-CG2 4.32Å; V128-L130 PolarHBondContact O-N 3.02Å
129I44.4Very low42.7Very low82 Ų82109.2 Ų109.242%0.42159%0.585SS.*  trans-84.899178.3-48.3180000110.1D126 I131D126-I129 HydrophobicContact CB-CD1 3.99Å; D126-I129 HydrophobicContact CB-CG1 4.23Å; I129-I131 HydrophobicContact CB-CG1 4.47Å; I129-I131 HydrophobicContact CG2-CG1 3.65Å; I129-I131 PolarHBondContact O-N 3.07Å
130L42.5Very low42.9Very low91 Ų91107.5 Ų107.548%0.47658%0.575SS.*  trans-78.199.9156.1-67.6178.5000107.6L91 V128 N132 D133L91-L130 HydrophobicContact CD2-CD2 3.67Å; V128-L130 PolarHBondContact O-N 3.02Å; L130-N132 PolarHBondContact O-N 3.45Å; L130-D133 PolarHBondContact O-N 2.94Å
131I45.4Very low43.2Very low74 Ų74107.1 Ų107.138%0.37957%0.572SS.*G310 helixtrans-61.4-19.2-166.2-68.5164.9000113.4T88 P89 I129T88-I131 HydrophobicContact CG2-CD1 4.35Å; P89-I131 WeakPolarHBondContact O-CD1 3.4Å; I129-I131 HydrophobicContact CB-CG1 4.47Å; I129-I131 HydrophobicContact CG2-CG1 3.65Å; I129-I131 PolarHBondContact O-N 3.07Å
132N38.2Very low44Very low117 Ų117109.2 Ų109.263%0.62657%0.573SS**G310 helixtrans-78.6-22.2177.4-70.913.1000114.4L130 R134L130-N132 PolarHBondContact O-N 3.45Å; N132-R134 PolarHBondContact O-N 3.46Å
133D47.6Very low44.6Very low70 Ų70106.2 Ų106.237%0.37457%0.57SS.*G310 helixtrans-79.74.8-172.2-73.7-22000113.9L130 Q135 L136 S137L130-D133 PolarHBondContact O-N 2.94Å; D133-Q135 VanDerWaalsContact C-N 3.35Å; D133-Q135 PolarHBondContact O-N 3.02Å; D133-L136 PolarHBondContact O-N 3Å; D133-S137 PolarHBondContact O-N 3.23Å; D133-S137 PolarHBondContact O-OG 3.21Å
134R44.5Very low45.3Very low201 Ų201103.9 Ų103.976%0.75856%0.562SS**Hα-helixtrans-61.4-40.5-177.1-154.7173.3-167.5167.34.7112.6N132 S137 E138N132-R134 PolarHBondContact O-N 3.46Å; R134-S137 WeakPolarHBondContact O-CB 3.49Å; R134-S137 PolarHBondContact O-N 3.28Å; R134-E138 PolarHBondContact O-N 3.45Å; R134-E138 VanDerWaalsContact O-N 3.08Å
135Q46.6Very low46.1Very low161 Ų161102.2 Ų102.275%0.75255%0.552SS**Hα-helixtrans-69.5-32.8177.1-65.4-177.2-52.900112.9D133 A139D133-Q135 VanDerWaalsContact C-N 3.35Å; D133-Q135 PolarHBondContact O-N 3.02Å; Q135-A139 PolarHBondContact O-N 2.85Å
136L44.9Very low46.3Very low103 Ų103106.2 Ų106.254%0.53956%0.56SS.*Hα-helixtrans-71.9-36.4172.6-73.2171.4000111.3D133 A139 F140D133-L136 PolarHBondContact O-N 3Å; L136-A139 PolarHBondContact O-N 3.16Å; L136-F140 VanDerWaalsContact O-CD2 3.32Å; L136-F140 WeakPolarHBondContact O-CD2 3.12Å; L136-F140 PolarHBondContact O-N 2.75Å
137S51.8Low46Very low71 Ų71104.6 Ų104.650%0.49755%0.554SS.*Hα-helixtrans-61.8-44.3176.7-54.70000111.4D133 R134 A139 F140 S141D133-S137 PolarHBondContact O-N 3.23Å; D133-S137 PolarHBondContact O-OG 3.21Å; R134-S137 WeakPolarHBondContact O-CB 3.49Å; R134-S137 PolarHBondContact O-N 3.28Å; S137-A139 PolarHBondContact O-N 3.45Å; S137-F140 PolarHBondContact O-N 3.49Å; S137-S141 PolarHBondContact O-N 2.87Å; S137-S141 PolarHBondContact O-OG 3.29Å
138E50.4Low45.5Very low124 Ų124107.1 Ų107.158%0.57958%0.578SS**Hα-helixtrans-59.1-44174-73.8174.3130.900111.9R134 F140 S141 H142R134-E138 PolarHBondContact O-N 3.45Å; R134-E138 VanDerWaalsContact O-N 3.08Å; E138-F140 PolarHBondContact O-N 2.92Å; E138-S141 WeakPolarHBondContact CA-OG 3.43Å; E138-S141 PolarHBondContact O-N 3.39Å; E138-S141 VanDerWaalsContact O-N 3.16Å; E138-S141 PolarHBondContact O-OG 2.82Å; E138-H142 PolarHBondContact O-N 3.02Å
139A47.7Very low45.1Very low50 Ų50108.8 Ų108.841%0.41359%0.591SS.*Hα-helixtrans-64.5-34.3178.300000114Q135 L136 S137 T145Q135-A139 PolarHBondContact O-N 2.85Å; L136-A139 PolarHBondContact O-N 3.16Å; S137-A139 PolarHBondContact O-N 3.45Å; A139-T145 PolarHBondContact O-OG1 2.86Å
140F44.2Very low44.4Very low144 Ų144108.4 Ų108.463%0.63261%0.607SS**Hα-helixtrans-75-27.2173.1-84.9-71.3000113.4L136 S137 E138 H142 V147L136-F140 VanDerWaalsContact O-CD2 3.32Å; L136-F140 WeakPolarHBondContact O-CD2 3.12Å; L136-F140 PolarHBondContact O-N 2.75Å; S137-F140 PolarHBondContact O-N 3.49Å; E138-F140 PolarHBondContact O-N 2.92Å; F140-H142 VanDerWaalsContact C-N 3.31Å; F140-V147 HydrophobicContact CE1-CG2 4.31Å
141S46.2Very low44.3Very low92 Ų92113.6 Ų113.664%0.64362%0.62SS**Hα-helixtrans-80.6-6.9175.165.10000114.4S137 E138S137-S141 PolarHBondContact O-N 2.87Å; S137-S141 PolarHBondContact O-OG 3.29Å; E138-S141 WeakPolarHBondContact CA-OG 3.43Å; E138-S141 PolarHBondContact O-N 3.39Å; E138-S141 VanDerWaalsContact O-N 3.16Å; E138-S141 PolarHBondContact O-OG 2.82Å
142H46.9Very low43.7Very low114 Ų114121.7 Ų121.753%0.52865%0.646SS.*SBendtrans-71.1128.2-179.2-138.3-91.3000110.8E138 F140 T144 T145E138-H142 PolarHBondContact O-N 3.02Å; F140-H142 VanDerWaalsContact C-N 3.31Å; H142-T144 PolarHBondContact ND1-OG1 2.87Å; H142-T144 VanDerWaalsContact ND1-OG1 3.16Å; H142-T144 PolarHBondContact O-N 3.06Å; H142-T145 PolarHBondContact O-N 2.91Å; H142-T145 PolarHBondContact O-OG1 3.38Å
143P52.7Low43.7Very low122 Ų122126 Ų12679%0.79265%0.653SS**THydrogen-bonded Turntrans-66.1-5.9-173.826.3-35.8000114.5
144T49.4Very low42.9Very low114 Ų114126.6 Ų126.670%0.69966%0.664SS**THydrogen-bonded Turntrans-86.1-17.3176.5-25.20000112.9H142 Q146H142-T144 PolarHBondContact ND1-OG1 2.87Å; H142-T144 VanDerWaalsContact ND1-OG1 3.16Å; H142-T144 PolarHBondContact O-N 3.06Å; T144-Q146 PolarHBondContact O-N 3.31Å; T144-Q146 VanDerWaalsContact O-N 3.11Å
145T51.7Low42.7Very low62 Ų62124.6 Ų124.638%0.3867%0.668SS.*  trans-89.666-167.3-46.60000112.5A139 H142 V147A139-T145 PolarHBondContact O-OG1 2.86Å; H142-T145 PolarHBondContact O-N 2.91Å; H142-T145 PolarHBondContact O-OG1 3.38Å; T145-V147 PolarHBondContact O-N 2.94Å; T145-V147 VanDerWaalsContact O-N 3.17Å
146Q43.1Very low42.5Very low180 Ų180124.2 Ų124.284%0.84167%0.671SS**  trans-75104.4176.8-69-150.224.200112.6T144T144-Q146 PolarHBondContact O-N 3.31Å; T144-Q146 VanDerWaalsContact O-N 3.11Å
147V36.4Very low42.8Very low88 Ų88125.4 Ų125.453%0.53367%0.674SS.*  trans-115.6105.5174-74.40000111.6F140 T145 C149F140-V147 HydrophobicContact CE1-CG2 4.31Å; T145-V147 PolarHBondContact O-N 2.94Å; T145-V147 VanDerWaalsContact O-N 3.17Å; V147-C149 PolarHBondContact O-N 2.89Å
148S35Very low42.8Very low120 Ų120130 Ų13084%0.83969%0.688SS**  trans-71.690.1-177.3-58.90000112.8G150S148-G150 PolarHBondContact O-N 2.88Å
149C37.3Very low43.2Very low105 Ų105126.8 Ų126.871%0.70968%0.677SS**  trans-68.197.6-179.1-68.70000113.1V147 R151V147-C149 PolarHBondContact O-N 2.89Å; C149-R151 PolarHBondContact O-N 2.91Å; C149-R151 VanDerWaalsContact O-N 3.16Å
150G30.1Very low44.1Very low73 Ų73131.5 Ų131.575%0.75368%0.684SS**  trans-64.3108.5-177.800000114.3S148 R152S148-G150 PolarHBondContact O-N 2.88Å; G150-R152 VanDerWaalsContact C-N 3.34Å; G150-R152 PolarHBondContact O-N 2.76Å
151R39.7Very low45.7Very low200 Ų200128.5 Ų128.576%0.75568%0.677SS**  trans-72.962.7-168.4-156.7-174.2-155.8-173.911.6116.2C149 R153C149-R151 PolarHBondContact O-N 2.91Å; C149-R151 VanDerWaalsContact O-N 3.16Å; R151-R153 PolarHBondContact O-N 3.18Å
152R33.4Very low47.6Very low244 Ų244127.3 Ų127.392%0.92166%0.663SS**  trans-80.495.8169-75.6-168.2175.4-166.2-0.1111.6G150 S154G150-R152 VanDerWaalsContact C-N 3.34Å; G150-R152 PolarHBondContact O-N 2.76Å; R152-S154 PolarHBondContact O-N 3.17Å
153R37.3Very low49.6Very low207 Ų207126 Ų12678%0.78166%0.66SS**  trans-61.598.5176.3-76179.8164.1-178-4.8112.7R151 N155R151-R153 PolarHBondContact O-N 3.18Å; R153-N155 PolarHBondContact O-N 3.11Å
154S32Very low51.4Low84 Ų84122.7 Ų122.759%0.58763%0.633SS**  trans-96.771163.5-168.80000110.1R152 N156R152-S154 PolarHBondContact O-N 3.17Å; S154-N156 PolarHBondContact O-N 2.8Å
155N40.8Very low53.5Low159 Ų159118.6 Ų118.685%0.8561%0.609SS**THydrogen-bonded Turntrans-79.436.3-168.8-161.839.6000114.2R153R153-N155 PolarHBondContact O-N 3.11Å
156N41.5Very low55.5Low153 Ų153116 Ų11682%0.81859%0.592SS**THydrogen-bonded Turntrans-148.419.4-174.2-143.412.9000114.5S154S154-N156 PolarHBondContact O-N 2.8Å
157Q52.1Low58Low128 Ų128109.6 Ų109.660%0.59857%0.565SS**PPolyproline II helixtrans-76.4126.6166.7-64.1-171.529.800109.2
158Q50.7Low60.7Low168 Ų168105.5 Ų105.579%0.78554%0.541SS*.PPolyproline II helixtrans-62.6148.6166.9-64.1-173.316.100108.8R160Q158-R160 PolarHBondContact O-N 3.49Å
159P58.5Low63.4Low56 Ų56106.7 Ų106.736%0.36453%0.533SS..PPolyproline II helixtrans-57.3130.9176.426.4-34.4000108.9R113 V161R113-P159 HydrophobicContact CG-CB 4.01Å; R113-P159 HydrophobicContact CG-CG 4.43Å; P159-V161 PolarHBondContact O-N 2.95Å
160R66.8Low66.1Low149 Ų149104.1 Ų104.156%0.56251%0.514SS*.PPolyproline II helixtrans-65.6133.1178.6-69.4177.7177.8-172.6-0.1108.9E114 Q158E114-R160 HydrophobicContact CB-CB 4.2Å; E114-R160 VanDerWaalsContact CD-CB 3.45Å; E114-R160 HydrophobicContact CG-CB 3.96Å; E114-R160 PolarHBondContact N-O 2.74Å; E114-R160 WeakPolarHBondContact OE1-CB 3.28Å; E114-R160 VanDerWaalsContact OE1-CD 3.28Å; E114-R160 WeakPolarHBondContact OE1-CD 3.44Å; E114-R160 WeakPolarHBondContact OE2-CD 3.4Å; Q158-R160 PolarHBondContact O-N 3.49Å
161V77.8Confident69.2Low80 Ų80103.4 Ų103.449%0.48550%0.496SS..EExtended strand (participates in β ladder)trans-102.4117.7175.8175.70000106.9E111 P159E111-V161 HydrophobicContact CG-CG1 3.37Å; E111-V161 WeakPolarHBondContact OE1-CG1 3.47Å; P159-V161 PolarHBondContact O-N 2.95Å
162L86.1Confident71.8Confident67 Ų67100.1 Ų100.135%0.35149%0.493SS..EExtended strand (participates in β ladder)trans-99.4129.4175.5-58.8178.3000108.4I112 E114 F164I112-L162 PolarHBondContact N-O 2.92Å; I112-L162 PolarHBondContact O-N 3.4Å; E114-L162 HydrophobicContact CG-CD1 3.91Å; E114-L162 HydrophobicContact CG-CG 4.14Å; L162-F164 HydrophobicContact CB-CD2 4.36Å; L162-F164 HydrophobicContact CB-CE2 3.56Å; L162-F164 HydrophobicContact CB-CZ 3.98Å; L162-F164 HydrophobicContact CD1-CE2 4.25Å; L162-F164 HydrophobicContact CD1-CZ 4.09Å
163L89.8Confident74.7Confident88 Ų8890.9 Ų90.946%0.46146%0.463SS..EExtended strand (participates in β ladder)trans-109.9125176.1-172.870.1000108.2Y102 I110 E111 P165Y102-L163 HydrophobicContact CD2-CD1 3.84Å; Y102-L163 HydrophobicContact CE2-CD1 4.04Å; I110-L163 WeakPolarHBondContact O-CA 3.49Å; E111-L163 HydrophobicContact CB-CD1 4.35Å; L163-P165 WeakPolarHBondContact O-CD 3.47Å
164F90.1Very high77.4Confident51 Ų5181 Ų8122%0.22443%0.426CS..EExtended strand (participates in β ladder)trans-114.698.4178.5-64.8-81.4000110Y93 S109 I110 I112 L162 F166Y93-F164 HydrophobicContact CE1-CE2 4.49Å; Y93-F164 HydrophobicContact CE2-CD2 4.44Å; Y93-F164 WeakPolarHBondContact OH-CE1 3.39Å; Y93-F164 WeakPolarHBondContact OH-CZ 3.36Å; S109-F164 CarbonylContact C-O 3.18Å; S109-F164 VanDerWaalsContact CA-O 3.27Å; S109-F164 WeakPolarHBondContact CA-O 3.44Å; I110-F164 PolarHBondContact N-O 2.96Å; I110-F164 PolarHBondContact O-N 2.92Å; I112-F164 HydrophobicContact CB-CE2 4.3Å; I112-F164 HydrophobicContact CD1-CD2 3.73Å; I112-F164 HydrophobicContact CD1-CE2 3.8Å; I112-F164 HydrophobicContact CG1-CD2 4.07Å; I112-F164 HydrophobicContact CG1-CE2 4.23Å; L162-F164 HydrophobicContact CB-CD2 4.36Å; L162-F164 HydrophobicContact CB-CE2 3.56Å; L162-F164 HydrophobicContact CB-CZ 3.98Å; L162-F164 HydrophobicContact CD1-CE2 4.25Å; L162-F164 HydrophobicContact CD1-CZ 4.09Å; F164-F166 HydrophobicContact CB-CE2 3.84Å; F164-F166 HydrophobicContact CB-CZ 3.93Å; F164-F166 WeakPolarHBondContact O-CD2 3.41Å; F164-F166 WeakPolarHBondContact O-CE2 3.3Å
165P93Very high80.4Confident28 Ų2884.2 Ų84.218%0.18243%0.425CS..EExtended strand (participates in β ladder)trans-77.9141.5173.9-8.123.9000113.3E61 L163E61-P165 VanDerWaalsContact CD-CD 3.48Å; E61-P165 HydrophobicContact CG-CB 4.4Å; E61-P165 HydrophobicContact CG-CG 4.05Å; E61-P165 WeakPolarHBondContact OE1-CD 3.39Å; E61-P165 WeakPolarHBondContact OE1-CG 3.32Å; L163-P165 WeakPolarHBondContact O-CD 3.47Å
166F94.3Very high83Confident8 Ų879.8 Ų79.84%0.03540%0.404CS..EExtended strand (participates in β ladder)trans-130138.1172.4-54.9-82.5000109.6A58 L59 N60 L68 I77 K107 F108 I110 F164A58-F166 HydrophobicContact CB-CB 4.36Å; L59-F166 CarbonylContact O-C 3.59Å; L59-F166 VanDerWaalsContact O-CA 3.27Å; L59-F166 WeakPolarHBondContact O-CA 3.43Å; N60-F166 WeakPolarHBondContact OD1-CD1 3.44Å; N60-F166 VanDerWaalsContact OD1-CE1 3.31Å; N60-F166 WeakPolarHBondContact OD1-CE1 3.4Å; L68-F166 HydrophobicContact CD1-CD1 3.62Å; L68-F166 HydrophobicContact CD1-CD2 4.47Å; L68-F166 HydrophobicContact CD1-CE1 3.85Å; L68-F166 HydrophobicContact CD1-CG 3.97Å; L68-F166 HydrophobicContact CD1-CZ 4.38Å; L68-F166 HydrophobicContact CD2-CB 4.49Å; L68-F166 HydrophobicContact CD2-CD2 4.09Å; L68-F166 HydrophobicContact CD2-CG 4.11Å; I77-F166 HydrophobicContact CD1-CE1 3.7Å; I77-F166 HydrophobicContact CD1-CE2 4.44Å; I77-F166 HydrophobicContact CD1-CZ 3.41Å; I77-F166 VanDerWaalsContact CD1-CZ 3.41Å; I77-F166 HydrophobicContact CG1-CZ 4.47Å; K107-F166 WeakPolarHBondContact CA-O 3.27Å; F108-F166 HydrophobicContact CD1-CD2 4.07Å; F108-F166 PolarHBondContact N-O 3.31Å; F108-F166 PolarHBondContact O-N 3.49Å; I110-F166 HydrophobicContact CD1-CD2 4.42Å; I110-F166 HydrophobicContact CD1-CE2 3.65Å; I110-F166 HydrophobicContact CD1-CZ 4.39Å; I110-F166 HydrophobicContact CG1-CD2 4.43Å; I110-F166 HydrophobicContact CG1-CE2 3.92Å; F164-F166 HydrophobicContact CB-CE2 3.84Å; F164-F166 HydrophobicContact CB-CZ 3.93Å; F164-F166 WeakPolarHBondContact O-CD2 3.41Å; F164-F166 WeakPolarHBondContact O-CE2 3.3Å
167T95Very high85.6Confident46 Ų4672.5 Ų72.528%0.28237%0.365SS..EExtended strand (participates in β ladder)trans-104.1119.8175-56.70000110.1L59 K106L59-T167 PolarHBondContact N-O 3.26Å; L59-T167 PolarHBondContact O-N 3.28Å; K106-T167 HydrophobicContact CB-CG2 4.29Å; K106-T167 CarbonylContact O-C 3.59Å; K106-T167 WeakPolarHBondContact O-CA 3.45Å
168C94.4Very high87.7Confident2 Ų270 Ų701%0.01435%0.35CS..EExtended strand (participates in β ladder)trans-89.9153.2176.6-660000111.2K106 T170 V173 C174K106-C168 PolarHBondContact O-N 3.27Å; C168-T170 VanDerWaalsContact C-N 3.34Å; C168-T170 PolarHBondContact O-N 3.47Å; C168-V173 HydrophobicContact CB-CG1 4.32Å; C168-C174 HydrophobicContact CB-CB 3.66Å
169Q91.6Very high89.8Confident145 Ų14566.8 Ų66.868%0.67834%0.337SS*.SBendtrans-59.4-40.8-177.6-169.1-178.911.800113.2K106K106-Q169 WeakPolarHBondContact CE-O 3.45Å; K106-Q169 PolarHBondContact NZ-O 3.04Å
170T94.3Very high91.5Very high50 Ų5064.9 Ų64.931%0.30732%0.324SS..SBendtrans-132.7155.8179.672.20000111.6C168 L172 V173 C174C168-T170 VanDerWaalsContact C-N 3.34Å; C168-T170 PolarHBondContact O-N 3.47Å; T170-L172 PolarHBondContact O-N 3.32Å; T170-V173 PolarHBondContact O-N 2.98Å; T170-V173 WeakPolarHBondContact OG1-CG2 3.32Å; T170-V173 PolarHBondContact OG1-N 3.22Å; T170-C174 PolarHBondContact O-N 3.3Å; T170-C174 VanDerWaalsContact O-N 3.07Å
171P94.2Very high92.9Very high59 Ų5957.8 Ų57.838%0.38330%0.298SS..Hα-helixtrans-63.4-32176-22.235.1000112.9D105 K106 C174 R175D105-P171 VanDerWaalsContact O-CA 3.22Å; D105-P171 WeakPolarHBondContact O-CA 3.41Å; D105-P171 VanDerWaalsContact O-CB 3.28Å; D105-P171 WeakPolarHBondContact O-CB 3.34Å; K106-P171 HydrophobicContact CG-CG 4.01Å; P171-C174 WeakPolarHBondContact O-CB 3.04Å; P171-C174 PolarHBondContact O-N 3.04Å; P171-R175 WeakPolarHBondContact O-CB 3.48Å; P171-R175 PolarHBondContact O-N 2.89Å
172L94.3Very high93.7Very high131 Ų13157 Ų5769%0.68629%0.29SS*.Hα-helixtrans-62.6-49.5176.5-64.2175.8000111.2T170 C174 R175 T176T170-L172 PolarHBondContact O-N 3.32Å; L172-C174 VanDerWaalsContact C-N 3.3Å; L172-C174 PolarHBondContact O-N 3.06Å; L172-R175 PolarHBondContact O-N 2.72Å; L172-T176 PolarHBondContact O-N 3.26Å; L172-T176 PolarHBondContact O-OG1 3.17Å
173V93.8Very high94.1Very high49 Ų4956.6 Ų56.630%0.29730%0.297SS..Hα-helixtrans-60-43.1174.7171.20000110.7Y56 C168 T170 R175 T176 V177Y56-V173 HydrophobicContact CD1-CG1 4.35Å; C168-V173 HydrophobicContact CB-CG1 4.32Å; T170-V173 PolarHBondContact O-N 2.98Å; T170-V173 WeakPolarHBondContact OG1-CG2 3.32Å; T170-V173 PolarHBondContact OG1-N 3.22Å; V173-R175 PolarHBondContact O-N 3.24Å; V173-T176 PolarHBondContact O-N 2.99Å; V173-T176 VanDerWaalsContact O-N 3.16Å; V173-V177 HydrophobicContact CG1-CG2 4.44Å; V173-V177 WeakPolarHBondContact O-CG2 3.48Å; V173-V177 PolarHBondContact O-N 3.46Å
174C95.3Very high94.3Very high0 Ų054.9 Ų54.90%029%0.286CS..Hα-helixtrans-61.7-41.6179-155.50000112.8Y103 K106 K107 C168 T170 P171 L172 V177 W178Y103-C174 HydrophobicContact CD2-CB 4.15Å; Y103-C174 VanDerWaalsContact CD2-SG 3.53Å; Y103-C174 HydrophobicContact CE2-CB 3.63Å; Y103-C174 VanDerWaalsContact CE2-SG 3.56Å; K106-C174 PolarHBondContact O-SG 3.11Å; K106-C174 VanDerWaalsContact O-SG 3.4Å; K107-C174 VanDerWaalsContact C-SG 3.57Å; C168-C174 HydrophobicContact CB-CB 3.66Å; T170-C174 PolarHBondContact O-N 3.3Å; T170-C174 VanDerWaalsContact O-N 3.07Å; P171-C174 WeakPolarHBondContact O-CB 3.04Å; P171-C174 PolarHBondContact O-N 3.04Å; L172-C174 VanDerWaalsContact C-N 3.3Å; L172-C174 PolarHBondContact O-N 3.06Å; C174-V177 WeakPolarHBondContact O-CB 3.35Å; C174-V177 PolarHBondContact O-N 3.13Å; C174-W178 PolarHBondContact O-N 3.13Å
175R94.8Very high94.5Very high151 Ų15153.6 Ų53.657%0.5728%0.281SS*.Hα-helixtrans-65.7-40.4173-171.3179.9-177.9-1761.5111.5Y103 P171 L172 V173 W178 M179Y103-R175 HydrophobicContact CE1-CB 4.24Å; Y103-R175 HydrophobicContact CE1-CG 4.35Å; P171-R175 WeakPolarHBondContact O-CB 3.48Å; P171-R175 PolarHBondContact O-N 2.89Å; L172-R175 PolarHBondContact O-N 2.72Å; V173-R175 PolarHBondContact O-N 3.24Å; R175-W178 PolarHBondContact O-N 3Å; R175-M179 HydrophobicContact CG-CG 4.36Å; R175-M179 WeakPolarHBondContact O-CB 3.34Å; R175-M179 WeakPolarHBondContact O-CG 3.46Å; R175-M179 PolarHBondContact O-N 3.31Å
176T95.8Very high94.4Very high66 Ų6661.1 Ų61.141%0.40531%0.306SS..Hα-helixtrans-66.1-38.8176.8-57.40000112.4Y56 L172 V173 S180Y56-T176 HydrophobicContact CE1-CG2 3.91Å; L172-T176 PolarHBondContact O-N 3.26Å; L172-T176 PolarHBondContact O-OG1 3.17Å; V173-T176 PolarHBondContact O-N 2.99Å; V173-T176 VanDerWaalsContact O-N 3.16Å; T176-S180 VanDerWaalsContact O-CB 3.3Å; T176-S180 WeakPolarHBondContact O-CB 3.47Å; T176-S180 PolarHBondContact O-N 3.19Å; T176-S180 PolarHBondContact O-OG 3.39Å
177V95.5Very high94.2Very high1 Ų165.8 Ų65.81%0.00633%0.326CS..Hα-helixtrans-56.7-55.1170.6159.30000109.9Y56 L68 I70 F108 V173 C174 S180 A181Y56-V177 HydrophobicContact CD1-CG2 3.68Å; Y56-V177 HydrophobicContact CD2-CG2 3.78Å; Y56-V177 HydrophobicContact CE1-CG2 4.25Å; Y56-V177 HydrophobicContact CE2-CG2 4.35Å; Y56-V177 HydrophobicContact CG-CG2 3.42Å; Y56-V177 VanDerWaalsContact CG-CG2 3.42Å; L68-V177 HydrophobicContact CD2-CG1 4.4Å; I70-V177 HydrophobicContact CD1-CB 4.42Å; I70-V177 HydrophobicContact CD1-CG1 4.08Å; I70-V177 WeakPolarHBondContact CD1-O 3.13Å; F108-V177 HydrophobicContact CB-CG1 4.35Å; F108-V177 HydrophobicContact CD1-CG1 3.66Å; F108-V177 HydrophobicContact CD2-CG1 3.97Å; F108-V177 HydrophobicContact CE1-CG1 3.81Å; F108-V177 HydrophobicContact CE2-CG1 4.1Å; F108-V177 HydrophobicContact CG-CG1 3.73Å; F108-V177 HydrophobicContact CZ-CG1 4.02Å; V173-V177 HydrophobicContact CG1-CG2 4.44Å; V173-V177 WeakPolarHBondContact O-CG2 3.48Å; V173-V177 PolarHBondContact O-N 3.46Å; C174-V177 WeakPolarHBondContact O-CB 3.35Å; C174-V177 PolarHBondContact O-N 3.13Å; V177-S180 PolarHBondContact O-N 2.97Å; V177-A181 PolarHBondContact O-N 3.14Å
178W95.6Very high94.1Very high75 Ų7566.1 Ų66.128%0.28432%0.324SS..Hα-helixtrans-61.7-48.2-179.1-178.983000112.7L101 Y103 F108 C174 R175 S180 A181 I182L101-W178 PolarHBondContact O-NE1 2.88Å; Y103-W178 VanDerWaalsContact CB-CD1 3.43Å; Y103-W178 HydrophobicContact CG-CB 4.12Å; Y103-W178 HydrophobicContact CG-CG 4.16Å; F108-W178 HydrophobicContact CD2-CB 4.04Å; F108-W178 HydrophobicContact CE2-CB 4.21Å; F108-W178 AromaticContact CE2-CD1 4Å; C174-W178 PolarHBondContact O-N 3.13Å; R175-W178 PolarHBondContact O-N 3Å; W178-S180 VanDerWaalsContact C-N 3.28Å; W178-S180 PolarHBondContact O-N 2.89Å; W178-A181 PolarHBondContact O-N 3.13Å; W178-I182 HydrophobicContact CD2-CG1 3.93Å; W178-I182 HydrophobicContact CE3-CG1 4.43Å; W178-I182 HydrophobicContact CG-CG1 4.35Å; W178-I182 HydrophobicContact CH2-CG1 4.36Å; W178-I182 HydrophobicContact CZ2-CD1 4.1Å; W178-I182 HydrophobicContact CZ2-CG1 3.84Å; W178-I182 WeakPolarHBondContact O-CG1 3.3Å; W178-I182 PolarHBondContact O-N 3.18Å
179M95.1Very high93.9Very high101 Ų10169.3 Ų69.350%0.49834%0.34SS..Hα-helixtrans-57.5-40.5176.3-73.1-65.2-60.400112.2R175 A183R175-M179 HydrophobicContact CG-CG 4.36Å; R175-M179 WeakPolarHBondContact O-CB 3.34Å; R175-M179 WeakPolarHBondContact O-CG 3.46Å; R175-M179 PolarHBondContact O-N 3.31Å; M179-A183 WeakPolarHBondContact O-CB 3.43Å; M179-A183 PolarHBondContact O-N 2.87Å
180S94.8Very high93.7Very high15 Ų1567.8 Ų67.811%0.10533%0.333CS..Hα-helixtrans-68.9-39.9178.8-58.10000111.8Y56 T176 V177 W178 Q184Y56-S180 PolarHBondContact OH-OG 2.9Å; Y56-S180 VanDerWaalsContact OH-OG 3.11Å; T176-S180 VanDerWaalsContact O-CB 3.3Å; T176-S180 WeakPolarHBondContact O-CB 3.47Å; T176-S180 PolarHBondContact O-N 3.19Å; T176-S180 PolarHBondContact O-OG 3.39Å; V177-S180 PolarHBondContact O-N 2.97Å; W178-S180 VanDerWaalsContact C-N 3.28Å; W178-S180 PolarHBondContact O-N 2.89Å; S180-Q184 WeakPolarHBondContact O-CG 3.45Å; S180-Q184 PolarHBondContact O-N 2.77Å; S180-Q184 VanDerWaalsContact O-N 3.13Å
181A95.8Very high93.2Very high0 Ų069.9 Ų69.90%034%0.335CS..Hα-helixtrans-67.1-45.1176.700000112.1I70 I75 W95 L101 F108 V177 W178 A183 Q184 H185I70-A181 HydrophobicContact CD1-CB 4.29Å; I70-A181 HydrophobicContact CG2-CB 4.23Å; I75-A181 HydrophobicContact CD1-CB 4.15Å; W95-A181 HydrophobicContact CH2-CB 3.98Å; W95-A181 WeakPolarHBondContact CH2-O 3.2Å; L101-A181 HydrophobicContact CD1-CB 3.65Å; F108-A181 HydrophobicContact CE2-CB 4.43Å; F108-A181 HydrophobicContact CZ-CB 4.18Å; V177-A181 PolarHBondContact O-N 3.14Å; W178-A181 PolarHBondContact O-N 3.13Å; A181-A183 PolarHBondContact O-N 3.23Å; A181-Q184 PolarHBondContact O-N 2.91Å; A181-H185 WeakPolarHBondContact O-CB 3.24Å; A181-H185 PolarHBondContact O-N 2.99Å
182I94.8Very high92.7Very high64 Ų6471.2 Ų71.233%0.32834%0.335SS..Hα-helixtrans-61.7-41.9176.5-67.4-70.8000111.4L101 W178 H185 R186L101-I182 HydrophobicContact CB-CD1 4.16Å; L101-I182 HydrophobicContact CD1-CD1 4.05Å; L101-I182 HydrophobicContact CD1-CG1 4.46Å; W178-I182 HydrophobicContact CD2-CG1 3.93Å; W178-I182 HydrophobicContact CE3-CG1 4.43Å; W178-I182 HydrophobicContact CG-CG1 4.35Å; W178-I182 HydrophobicContact CH2-CG1 4.36Å; W178-I182 HydrophobicContact CZ2-CD1 4.1Å; W178-I182 HydrophobicContact CZ2-CG1 3.84Å; W178-I182 WeakPolarHBondContact O-CG1 3.3Å; W178-I182 PolarHBondContact O-N 3.18Å; I182-H185 PolarHBondContact O-N 2.62Å; I182-R186 VanDerWaalsContact O-CB 3.3Å; I182-R186 WeakPolarHBondContact O-CB 3.5Å; I182-R186 PolarHBondContact O-N 3.27Å
183A94.4Very high92.1Very high59 Ų5968.5 Ų68.549%0.48832%0.319SS..Hα-helixtrans-63.1-46177.500000112.5M179 A181 R186 F187M179-A183 WeakPolarHBondContact O-CB 3.43Å; M179-A183 PolarHBondContact O-N 2.87Å; A181-A183 PolarHBondContact O-N 3.23Å; A183-R186 PolarHBondContact O-N 2.84Å; A183-F187 PolarHBondContact O-N 2.81Å; A183-F187 VanDerWaalsContact O-N 3.1Å
184Q94.3Very high91.1Very high51 Ų5170.7 Ų70.724%0.23833%0.328CS..Hα-helixtrans-67.4-40.5177.6-68.6-66.1-23.200112.1I70 Y72 W95 S180 A181 F187 F188I70-Q184 HydrophobicContact CG2-CG 4.3Å; Y72-Q184 VanDerWaalsContact CA-OE1 3.31Å; W95-Q184 HydrophobicContact CH2-CB 4.33Å; W95-Q184 HydrophobicContact CZ2-CB 3.46Å; W95-Q184 VanDerWaalsContact CZ2-CB 3.46Å; W95-Q184 HydrophobicContact CZ2-CG 4.49Å; S180-Q184 WeakPolarHBondContact O-CG 3.45Å; S180-Q184 PolarHBondContact O-N 2.77Å; S180-Q184 VanDerWaalsContact O-N 3.13Å; A181-Q184 PolarHBondContact O-N 2.91Å; Q184-F187 PolarHBondContact O-N 2.83Å; Q184-F188 PolarHBondContact O-N 2.87Å
185H93.3Very high90.1Very high24 Ų2478.8 Ų78.811%0.11136%0.364CS..Hα-helixtrans-65.7-42.1176.2-166.3-175.2000111.6W95 A181 I182 F187 F188 L189W95-H185 HydrophobicContact CD2-CB 4.11Å; W95-H185 HydrophobicContact CE3-CB 3.65Å; W95-H185 AromaticContact CE3-CG 3.76Å; W95-H185 HydrophobicContact CH2-CB 4.46Å; W95-H185 HydrophobicContact CZ3-CB 3.86Å; A181-H185 WeakPolarHBondContact O-CB 3.24Å; A181-H185 PolarHBondContact O-N 2.99Å; I182-H185 PolarHBondContact O-N 2.62Å; H185-F187 PolarHBondContact O-N 2.88Å; H185-F188 AromaticContact CD2-CD1 3.98Å; H185-F188 WeakPolarHBondContact O-CB 3.23Å; H185-F188 PolarHBondContact O-N 3.41Å; H185-L189 WeakPolarHBondContact O-CG 3.48Å; H185-L189 PolarHBondContact O-N 3.36Å
186R91.4Very high88.9Confident186 Ų18677.9 Ų77.970%0.70236%0.364SS*.Hα-helixtrans-58.3-46.5174.8179.7174.3173.4161.4-0.8111.7I182 A183 F188 L189 E190I182-R186 VanDerWaalsContact O-CB 3.3Å; I182-R186 WeakPolarHBondContact O-CB 3.5Å; I182-R186 PolarHBondContact O-N 3.27Å; A183-R186 PolarHBondContact O-N 2.84Å; R186-F188 VanDerWaalsContact C-N 3.35Å; R186-F188 PolarHBondContact O-N 2.91Å; R186-L189 PolarHBondContact O-N 2.83Å; R186-E190 WeakPolarHBondContact O-CB 3.39Å; R186-E190 PolarHBondContact O-N 2.87Å
187F90.8Very high87.5Confident107 Ų10782.2 Ų82.247%0.46938%0.377SS..Hα-helixtrans-61.5-40.1176.1177.4-108000112.6A183 Q184 H185 R191A183-F187 PolarHBondContact O-N 2.81Å; A183-F187 VanDerWaalsContact O-N 3.1Å; Q184-F187 PolarHBondContact O-N 2.83Å; H185-F187 PolarHBondContact O-N 2.88Å; F187-R191 VanDerWaalsContact O-CB 3.31Å; F187-R191 WeakPolarHBondContact O-CB 3.35Å; F187-R191 PolarHBondContact O-N 2.99Å
188F91.1Very high85.5Confident52 Ų5284.7 Ų84.723%0.22840%0.403CS..Hα-helixtrans-62.3-44.1173169.2-96.2000112.5W95 R96 Q184 H185 R186 R191 K192W95-F188 HydrophobicContact CB-CB 4.04Å; W95-F188 HydrophobicContact CB-CD1 3.41Å; W95-F188 VanDerWaalsContact CB-CD1 3.41Å; W95-F188 HydrophobicContact CB-CD2 3.87Å; W95-F188 HydrophobicContact CB-CE1 3.69Å; W95-F188 HydrophobicContact CB-CE2 4.13Å; W95-F188 HydrophobicContact CB-CG 3.49Å; W95-F188 VanDerWaalsContact CB-CG 3.49Å; W95-F188 HydrophobicContact CB-CZ 4.04Å; W95-F188 HydrophobicContact CG-CB 4.06Å; W95-F188 HydrophobicContact CG-CD1 4.31Å; W95-F188 HydrophobicContact CG-CD2 4.45Å; W95-F188 HydrophobicContact CG-CG 4.03Å; R96-F188 HydrophobicContact CB-CZ 4.1Å; Q184-F188 PolarHBondContact O-N 2.87Å; H185-F188 AromaticContact CD2-CD1 3.98Å; H185-F188 WeakPolarHBondContact O-CB 3.23Å; H185-F188 PolarHBondContact O-N 3.41Å; R186-F188 VanDerWaalsContact C-N 3.35Å; R186-F188 PolarHBondContact O-N 2.91Å; F188-R191 PolarHBondContact O-N 3.38Å; F188-K192 HydrophobicContact CE1-CD 4.16Å; F188-K192 HydrophobicContact CZ-CD 4.44Å; F188-K192 WeakPolarHBondContact O-CB 3.33Å; F188-K192 PolarHBondContact O-N 3.35Å
189L90.1Very high83Confident70 Ų7087.9 Ų87.937%0.36642%0.421SS..Hα-helixtrans-66-43.5178.9-69.5172.3000111.8H185 R186 R191 K192 E193H185-L189 WeakPolarHBondContact O-CG 3.48Å; H185-L189 PolarHBondContact O-N 3.36Å; R186-L189 PolarHBondContact O-N 2.83Å; L189-R191 PolarHBondContact O-N 3.08Å; L189-K192 HydrophobicContact CD2-CD 4.49Å; L189-K192 CarbonylContact O-C 3.59Å; L189-K192 WeakPolarHBondContact O-CA 3.43Å; L189-K192 WeakPolarHBondContact O-CB 3.37Å; L189-K192 PolarHBondContact O-N 3.28Å; L189-E193 PolarHBondContact O-N 3.28Å
190E88.1Confident80.6Confident112 Ų11292.1 Ų92.152%0.52344%0.439SS..Hα-helixtrans-57-48173.5-178172-168.100111.5R186 K192 E193 L194R186-E190 WeakPolarHBondContact O-CB 3.39Å; R186-E190 PolarHBondContact O-N 2.87Å; E190-K192 PolarHBondContact O-N 3.26Å; E190-E193 PolarHBondContact O-N 3.04Å; E190-L194 HydrophobicContact CG-CD1 4.35Å; E190-L194 WeakPolarHBondContact O-CB 3.39Å; E190-L194 WeakPolarHBondContact O-CG 3.47Å; E190-L194 PolarHBondContact O-N 3.33Å
191R84.3Confident78.1Confident94 Ų94100 Ų10036%0.35547%0.474SS..Hα-helixtrans-63.5-23.5174.5-167.9174.9-170.772.43.9113.5F187 F188 L189 K195 A205F187-R191 VanDerWaalsContact O-CB 3.31Å; F187-R191 WeakPolarHBondContact O-CB 3.35Å; F187-R191 PolarHBondContact O-N 2.99Å; F188-R191 PolarHBondContact O-N 3.38Å; L189-R191 PolarHBondContact O-N 3.08Å; R191-K195 WeakPolarHBondContact O-CG 3.45Å; R191-A205 PolarHBondContact NH1-O 2.96Å
192K83.8Confident75.6Confident87 Ų87102.7 Ų102.738%0.37849%0.492SS..Hα-helixtrans-81.8-43176.1-173.2-179.4-178.21800111.7F188 L189 E190 K195 K196F188-K192 HydrophobicContact CE1-CD 4.16Å; F188-K192 HydrophobicContact CZ-CD 4.44Å; F188-K192 WeakPolarHBondContact O-CB 3.33Å; F188-K192 PolarHBondContact O-N 3.35Å; L189-K192 HydrophobicContact CD2-CD 4.49Å; L189-K192 CarbonylContact O-C 3.59Å; L189-K192 WeakPolarHBondContact O-CA 3.43Å; L189-K192 WeakPolarHBondContact O-CB 3.37Å; L189-K192 PolarHBondContact O-N 3.28Å; E190-K192 PolarHBondContact O-N 3.26Å; K192-K195 PolarHBondContact O-N 3.47Å; K192-K196 PolarHBondContact O-N 2.88Å
193E80.4Confident73.2Confident75 Ų75110.4 Ų110.435%0.3552%0.517SS..Hα-helixtrans-70.6-35.6177.3-61.4-45.7118.100112.3L189 E190 K195 K196 K197L189-E193 PolarHBondContact O-N 3.28Å; E190-E193 PolarHBondContact O-N 3.04Å; E193-K195 PolarHBondContact O-N 3.06Å; E193-K196 PolarHBondContact O-N 3.2Å; E193-K196 WeakPolarHBondContact OE1-CE 3.38Å; E193-K196 IonicContact OE1-NZ 2.69Å; E193-K196 PolarHBondContact OE1-NZ 3.26Å; E193-K196 WeakPolarHBondContact OE2-CD 3.42Å; E193-K196 WeakPolarHBondContact OE2-CE 3.43Å; E193-K196 IonicContact OE2-NZ 3.1Å; E193-K196 PolarHBondContact OE2-NZ 3.37Å; E193-K197 PolarHBondContact O-N 2.8Å
194L74.6Confident70.7Confident94 Ų94112.6 Ų112.649%0.49252%0.521SS..Hα-helixtrans-55.2-38.3171.2-78.8167000112.3E190E190-L194 HydrophobicContact CG-CD1 4.35Å; E190-L194 WeakPolarHBondContact O-CB 3.39Å; E190-L194 WeakPolarHBondContact O-CG 3.47Å; E190-L194 PolarHBondContact O-N 3.33Å
195K72.4Confident68.4Low170 Ų170111.9 Ų111.974%0.73952%0.523SS*.Hα-helixtrans-70.3-28.7176-71.9178.8175.6-168.80113.7R191 K192 E193R191-K195 WeakPolarHBondContact O-CG 3.45Å; K192-K195 PolarHBondContact O-N 3.47Å; E193-K195 PolarHBondContact O-N 3.06Å
196K71.3Confident66.4Low132 Ų132114.2 Ų114.257%0.57454%0.539SS*.Hα-helixtrans-77.2-31.4179.1-64.5-173.1-159.51570113.3K192 E193 G198K192-K196 PolarHBondContact O-N 2.88Å; E193-K196 PolarHBondContact O-N 3.2Å; E193-K196 WeakPolarHBondContact OE1-CE 3.38Å; E193-K196 IonicContact OE1-NZ 2.69Å; E193-K196 PolarHBondContact OE1-NZ 3.26Å; E193-K196 WeakPolarHBondContact OE2-CD 3.42Å; E193-K196 WeakPolarHBondContact OE2-CE 3.43Å; E193-K196 IonicContact OE2-NZ 3.1Å; E193-K196 PolarHBondContact OE2-NZ 3.37Å; K196-G198 PolarHBondContact O-N 3.07Å
197K65.4Low64.8Low158 Ų158109.8 Ų109.869%0.68753%0.533SS*.SBendtrans-74.420.5-170.8-73.4-173.6175.4-174.90115.4E193 H199E193-K197 PolarHBondContact O-N 2.8Å; K197-H199 PolarHBondContact O-N 3.25Å; K197-H199 PolarHBondContact O-ND1 3.31Å
198G53.4Low63.7Low53 Ų53107.8 Ų107.855%0.54653%0.527SS..  trans59.911.6165.500000117.1K196 H200K196-G198 PolarHBondContact O-N 3.07Å; G198-H200 PolarHBondContact O-CD2 3.29Å; G198-H200 PolarHBondContact O-N 3.43Å
199H42.5Very low62.7Low142 Ų142107.9 Ų107.966%0.65753%0.528SS*.  trans-76.285.1-175.6-91.355.5000111.4K197 H201 S202K197-H199 PolarHBondContact O-N 3.25Å; K197-H199 PolarHBondContact O-ND1 3.31Å; H199-H201 PolarHBondContact O-N 2.91Å; H199-S202 PolarHBondContact O-N 3.18Å
200H45.7Very low62Low190 Ų190110.6 Ų110.688%0.8854%0.539SS*.THydrogen-bonded Turntrans-57.4-12.8169.7-82.5-92.9000113.7G198 S202G198-H200 PolarHBondContact O-CD2 3.29Å; G198-H200 PolarHBondContact O-N 3.43Å; H200-S202 VanDerWaalsContact C-N 3.33Å
201H42.8Very low61.5Low181 Ų181109.7 Ų109.784%0.83854%0.535SS*.THydrogen-bonded Turntrans-84.611.4170.8-81.290000114.9H199H199-H201 PolarHBondContact O-N 2.91Å
202S42.3Very low61.4Low55 Ų55107.5 Ų107.539%0.38553%0.53SS..  trans-134.588.6177.6-165.90000114.3H199 H200 N204 A205H199-S202 PolarHBondContact O-N 3.18Å; H200-S202 VanDerWaalsContact C-N 3.33Å; S202-N204 PolarHBondContact OG-N 3.38Å; S202-A205 PolarHBondContact OG-N 3.47Å
203R44.2Very low61.3Low227 Ų227104.4 Ų104.486%0.85752%0.518SS*.SBendtrans-70.8-15.4145.9-70.2170.771.4130.2-6.3110.8A205 V206R203-A205 PolarHBondContact O-N 2.87Å; R203-A205 VanDerWaalsContact O-N 3.15Å; R203-V206 WeakPolarHBondContact O-CB 3.44Å; R203-V206 PolarHBondContact O-N 3.4Å
204N42.5Very low61.4Low104 Ų104104.8 Ų104.856%0.55652%0.52SS*.THydrogen-bonded Turntrans-74.32.1-171.8-49.225.6000114.4S202 V206S202-N204 PolarHBondContact OG-N 3.38Å; N204-V206 VanDerWaalsContact C-N 3.31Å; N204-V206 CarbonylContact C-O 3.59Å; N204-V206 VanDerWaalsContact CA-O 3.26Å; N204-V206 WeakPolarHBondContact CA-O 3.37Å; N204-V206 VanDerWaalsContact O-O 3.05Å
205A46.1Very low61.8Low36 Ų36105.2 Ų105.230%0.29852%0.518SS..THydrogen-bonded Turntrans-77.1-18.8162.900000111.9R191 S202 R203R191-A205 PolarHBondContact NH1-O 2.96Å; S202-A205 PolarHBondContact OG-N 3.47Å; R203-A205 PolarHBondContact O-N 2.87Å; R203-A205 VanDerWaalsContact O-N 3.15Å
206V51.9Low62.3Low73 Ų7398.3 Ų98.344%0.44249%0.489SS..SBendtrans-76.6129.1147-176.20000105.5R203 N204 D208R203-V206 WeakPolarHBondContact O-CB 3.44Å; R203-V206 PolarHBondContact O-N 3.4Å; N204-V206 VanDerWaalsContact C-N 3.31Å; N204-V206 CarbonylContact C-O 3.59Å; N204-V206 VanDerWaalsContact CA-O 3.26Å; N204-V206 WeakPolarHBondContact CA-O 3.37Å; N204-V206 VanDerWaalsContact O-O 3.05Å; V206-D208 PolarHBondContact O-N 3.33Å
207V58.1Low62.9Low94 Ų9493.3 Ų93.357%0.5747%0.469SS*.  trans-51.8115.4170.5172.90000106.8H209 L212V207-H209 PolarHBondContact O-N 3.41Å; V207-L212 HydrophobicContact CG1-CB 4.27Å; V207-L212 HydrophobicContact CG1-CD2 3.68Å
208D67.8Low63.7Low65 Ų6594 Ų9435%0.34847%0.467SS..  trans-64.5110.8-176176.929000108.6V206 Q210 E211 L212V206-D208 PolarHBondContact O-N 3.33Å; D208-Q210 PolarHBondContact O-N 2.93Å; D208-Q210 PolarHBondContact OD1-N 2.95Å; D208-E211 HydrophobicContact CB-CB 4.03Å; D208-E211 PolarHBondContact O-N 3.5Å; D208-E211 WeakPolarHBondContact OD2-CB 3.26Å; D208-E211 PolarHBondContact OD2-N 3.35Å; D208-L212 VanDerWaalsContact O-CB 3.29Å; D208-L212 WeakPolarHBondContact O-CB 3.5Å; D208-L212 PolarHBondContact O-N 2.75Å
209H68.9Low64.9Low53 Ų5396.6 Ų96.625%0.24547%0.468CS..Hα-helixtrans-66.6-21-179.1-67.7-67.3000111.2I39 K43 V207 T213I39-H209 HydrophobicContact CG2-CB 4.03Å; K43-H209 VanDerWaalsContact CE-CD2 3.41Å; K43-H209 WeakPolarHBondContact CE-CD2 3.39Å; K43-H209 WeakPolarHBondContact CE-ND1 3.31Å; V207-H209 PolarHBondContact O-N 3.41Å; H209-T213 WeakPolarHBondContact O-CB 3.37Å; H209-T213 PolarHBondContact O-N 3.27Å; H209-T213 PolarHBondContact O-OG1 2.63Å
210Q75.1Confident66.2Low128 Ų12892.2 Ų92.260%0.59845%0.451SS*.Hα-helixtrans-75.9-57.7172.5-177.1170.8-21.600110.8D208 L212 T213 E214D208-Q210 PolarHBondContact O-N 2.93Å; D208-Q210 PolarHBondContact OD1-N 2.95Å; Q210-L212 VanDerWaalsContact C-N 3.27Å; Q210-L212 PolarHBondContact O-N 3.4Å; Q210-T213 CarbonylContact O-C 3.57Å; Q210-T213 WeakPolarHBondContact O-CA 3.45Å; Q210-T213 WeakPolarHBondContact O-CB 3.47Å; Q210-T213 PolarHBondContact O-N 3.14Å; Q210-E214 PolarHBondContact NE2-OE1 3.25Å; Q210-E214 PolarHBondContact O-N 3.07Å
211E78.9Confident67.4Low92 Ų9287.5 Ų87.543%0.4344%0.439SS..Hα-helixtrans-53.7-42.2175.8-168-167.6-179.100112.3D208 E214 K215D208-E211 HydrophobicContact CB-CB 4.03Å; D208-E211 PolarHBondContact O-N 3.5Å; D208-E211 WeakPolarHBondContact OD2-CB 3.26Å; D208-E211 PolarHBondContact OD2-N 3.35Å; E211-E214 PolarHBondContact O-N 3.36Å; E211-K215 HydrophobicContact CG-CD 4.35Å; E211-K215 WeakPolarHBondContact O-CB 3.19Å; E211-K215 WeakPolarHBondContact O-CG 3.39Å; E211-K215 PolarHBondContact O-N 3.09Å; E211-K215 WeakPolarHBondContact OE1-CE 3.32Å; E211-K215 IonicContact OE1-NZ 2.94Å; E211-K215 PolarHBondContact OE1-NZ 2.9Å; E211-K215 IonicContact OE2-NZ 2.87Å
212L80.9Confident68.2Low49 Ų4983.6 Ų83.626%0.25743%0.428SS..Hα-helixtrans-70-36.9176.5-17759.5000112.5I39 V207 D208 Q210 K215 L216I39-L212 HydrophobicContact CD1-CD2 3.59Å; I39-L212 HydrophobicContact CD1-CG 3.87Å; V207-L212 HydrophobicContact CG1-CB 4.27Å; V207-L212 HydrophobicContact CG1-CD2 3.68Å; D208-L212 VanDerWaalsContact O-CB 3.29Å; D208-L212 WeakPolarHBondContact O-CB 3.5Å; D208-L212 PolarHBondContact O-N 2.75Å; Q210-L212 VanDerWaalsContact C-N 3.27Å; Q210-L212 PolarHBondContact O-N 3.4Å; L212-K215 PolarHBondContact O-N 3.32Å; L212-L216 HydrophobicContact CD1-CD1 4.29Å; L212-L216 HydrophobicContact CD1-CG 4.2Å; L212-L216 HydrophobicContact CG-CD1 4.08Å; L212-L216 HydrophobicContact CG-CG 4.45Å; L212-L216 WeakPolarHBondContact O-CB 3.42Å; L212-L216 VanDerWaalsContact O-CG 3.29Å; L212-L216 WeakPolarHBondContact O-CG 3.24Å; L212-L216 PolarHBondContact O-N 3.24Å
213T83.2Confident68.7Low22 Ų2284.7 Ų84.714%0.13544%0.436CS..Hα-helixtrans-62.2-44.3172.2-69.90000110.6T36 I39 H209 Q210 L216 N217T36-T213 HydrophobicContact CG2-CG2 4.43Å; T36-T213 WeakPolarHBondContact OG1-CG2 3.33Å; I39-T213 WeakPolarHBondContact CG1-OG1 3.22Å; H209-T213 WeakPolarHBondContact O-CB 3.37Å; H209-T213 PolarHBondContact O-N 3.27Å; H209-T213 PolarHBondContact O-OG1 2.63Å; Q210-T213 CarbonylContact O-C 3.57Å; Q210-T213 WeakPolarHBondContact O-CA 3.45Å; Q210-T213 WeakPolarHBondContact O-CB 3.47Å; Q210-T213 PolarHBondContact O-N 3.14Å; T213-L216 PolarHBondContact O-N 3.31Å; T213-N217 VanDerWaalsContact CG2-ND2 3.33Å; T213-N217 WeakPolarHBondContact CG2-ND2 3.28Å; T213-N217 VanDerWaalsContact O-CB 3.25Å; T213-N217 WeakPolarHBondContact O-CB 3.47Å; T213-N217 PolarHBondContact O-N 3.07Å; T213-N217 PolarHBondContact O-ND2 3.03Å
214E82.3Confident69Low82 Ų8278.7 Ų78.738%0.38343%0.429SS..Hα-helixtrans-64.1-42.6177.3-71.6-176-144.900112.2Q210 E211 N217 R218Q210-E214 PolarHBondContact NE2-OE1 3.25Å; Q210-E214 PolarHBondContact O-N 3.07Å; E211-E214 PolarHBondContact O-N 3.36Å; E214-N217 PolarHBondContact O-N 3.45Å; E214-R218 WeakPolarHBondContact O-CB 3.25Å; E214-R218 WeakPolarHBondContact O-CD 3.33Å; E214-R218 WeakPolarHBondContact O-CG 3.2Å; E214-R218 PolarHBondContact O-N 3.39Å
215K82.3Confident69.2Low104 Ų10481.2 Ų81.245%0.45244%0.442SS..Hα-helixtrans-61.9-47.5174.3-75.2171.5-176.7170.10111.9E211 L212 R218 L219E211-K215 HydrophobicContact CG-CD 4.35Å; E211-K215 WeakPolarHBondContact O-CB 3.19Å; E211-K215 WeakPolarHBondContact O-CG 3.39Å; E211-K215 PolarHBondContact O-N 3.09Å; E211-K215 WeakPolarHBondContact OE1-CE 3.32Å; E211-K215 IonicContact OE1-NZ 2.94Å; E211-K215 PolarHBondContact OE1-NZ 2.9Å; E211-K215 IonicContact OE2-NZ 2.87Å; L212-K215 PolarHBondContact O-N 3.32Å; K215-R218 PolarHBondContact O-N 3.13Å; K215-L219 VanDerWaalsContact O-CG 3.31Å; K215-L219 WeakPolarHBondContact O-CG 3.5Å; K215-L219 PolarHBondContact O-N 2.88Å
216L82.9Confident69.1Low24 Ų2483 Ų8313%0.12646%0.463CS..Hα-helixtrans-62.8-44.5177.2-73.2170000111.7M38 I39 L212 T213 R218 L219 T220M38-L216 HydrophobicContact CB-CD1 4.45Å; M38-L216 HydrophobicContact CE-CD2 4.04Å; M38-L216 HydrophobicContact SD-CD2 4.44Å; I39-L216 HydrophobicContact CD1-CD1 3.85Å; I39-L216 HydrophobicContact CG1-CD1 3.82Å; L212-L216 HydrophobicContact CD1-CD1 4.29Å; L212-L216 HydrophobicContact CD1-CG 4.2Å; L212-L216 HydrophobicContact CG-CD1 4.08Å; L212-L216 HydrophobicContact CG-CG 4.45Å; L212-L216 WeakPolarHBondContact O-CB 3.42Å; L212-L216 VanDerWaalsContact O-CG 3.29Å; L212-L216 WeakPolarHBondContact O-CG 3.24Å; L212-L216 PolarHBondContact O-N 3.24Å; T213-L216 PolarHBondContact O-N 3.31Å; L216-R218 PolarHBondContact O-N 3.46Å; L216-L219 PolarHBondContact O-N 3.38Å; L216-T220 WeakPolarHBondContact O-CG2 3.38Å; L216-T220 PolarHBondContact O-N 2.97Å; L216-T220 PolarHBondContact O-OG1 3.29Å; L216-T220 VanDerWaalsContact O-OG1 3.12Å
217N84Confident68.9Low28 Ų2885.7 Ų85.715%0.1549%0.485CS..Hα-helixtrans-60.1-45.2177-74-23.4000111.5P33 G35 T36 T213 E214 T220 S221P33-N217 HydrophobicContact CB-CB 4.5Å; P33-N217 VanDerWaalsContact CB-CG 3.45Å; P33-N217 WeakPolarHBondContact CB-ND2 3.44Å; P33-N217 WeakPolarHBondContact CB-OD1 3.28Å; G35-N217 WeakPolarHBondContact CA-OD1 3.45Å; G35-N217 PolarHBondContact N-OD1 2.87Å; T36-N217 PolarHBondContact N-OD1 3.49Å; T36-N217 PolarHBondContact OG1-ND2 3.14Å; T213-N217 VanDerWaalsContact CG2-ND2 3.33Å; T213-N217 WeakPolarHBondContact CG2-ND2 3.28Å; T213-N217 VanDerWaalsContact O-CB 3.25Å; T213-N217 WeakPolarHBondContact O-CB 3.47Å; T213-N217 PolarHBondContact O-N 3.07Å; T213-N217 PolarHBondContact O-ND2 3.03Å; E214-N217 PolarHBondContact O-N 3.45Å; N217-T220 WeakPolarHBondContact CA-OG1 3.37Å; N217-T220 PolarHBondContact O-N 3.14Å; N217-T220 PolarHBondContact O-OG1 3.35Å; N217-S221 WeakPolarHBondContact O-CB 3.44Å; N217-S221 PolarHBondContact O-N 3.18Å; N217-S221 PolarHBondContact O-OG 3.38Å; N217-S221 VanDerWaalsContact O-OG 3.11Å
218R81.8Confident68.1Low172 Ų17286.2 Ų86.265%0.64949%0.493SS*.Hα-helixtrans-57.5-50174.7-72.7165.3-171.3-98.43.5111.5E214 K215 L216 T220 S221 T222E214-R218 WeakPolarHBondContact O-CB 3.25Å; E214-R218 WeakPolarHBondContact O-CD 3.33Å; E214-R218 WeakPolarHBondContact O-CG 3.2Å; E214-R218 PolarHBondContact O-N 3.39Å; K215-R218 PolarHBondContact O-N 3.13Å; L216-R218 PolarHBondContact O-N 3.46Å; R218-T220 VanDerWaalsContact C-N 3.32Å; R218-T220 PolarHBondContact O-N 3.15Å; R218-S221 PolarHBondContact O-N 2.89Å; R218-S221 VanDerWaalsContact O-N 3.16Å; R218-T222 PolarHBondContact O-N 3.45Å; R218-T222 PolarHBondContact O-OG1 2.93Å; R218-T222 VanDerWaalsContact O-OG1 3.12Å
219L77.9Confident67.1Low108 Ų10890.9 Ų90.957%0.56552%0.517SS*.Hα-helixtrans-58.3-41.4178.7-72.1166.1000112.5K215 L216 T222K215-L219 VanDerWaalsContact O-CG 3.31Å; K215-L219 WeakPolarHBondContact O-CG 3.5Å; K215-L219 PolarHBondContact O-N 2.88Å; L216-L219 PolarHBondContact O-N 3.38Å; L219-T222 PolarHBondContact O-OG1 2.87Å
220T71.5Confident65.9Low49 Ų4993 Ų9330%0.30154%0.536SS..Hα-helixtrans-74.1-27.9177.553.70000113.7V34 L216 N217 R218 S223V34-T220 HydrophobicContact CB-CG2 3.98Å; V34-T220 HydrophobicContact CG1-CG2 3.91Å; L216-T220 WeakPolarHBondContact O-CG2 3.38Å; L216-T220 PolarHBondContact O-N 2.97Å; L216-T220 PolarHBondContact O-OG1 3.29Å; L216-T220 VanDerWaalsContact O-OG1 3.12Å; N217-T220 WeakPolarHBondContact CA-OG1 3.37Å; N217-T220 PolarHBondContact O-N 3.14Å; N217-T220 PolarHBondContact O-OG1 3.35Å; R218-T220 VanDerWaalsContact C-N 3.32Å; R218-T220 PolarHBondContact O-N 3.15Å; T220-S223 PolarHBondContact O-OG 3.04Å; T220-S223 VanDerWaalsContact O-OG 3.13Å
221S70.4Confident64.2Low91 Ų9191.1 Ų91.164%0.63654%0.536SS*.Hα-helixtrans-77.3-25.1175.6-65.10000112.9N217 R218N217-S221 WeakPolarHBondContact O-CB 3.44Å; N217-S221 PolarHBondContact O-N 3.18Å; N217-S221 PolarHBondContact O-OG 3.38Å; N217-S221 VanDerWaalsContact O-OG 3.11Å; R218-S221 PolarHBondContact O-N 2.89Å; R218-S221 VanDerWaalsContact O-N 3.16Å
222T58.7Low62.5Low100 Ų10093 Ų9361%0.61355%0.549SS*.SBendtrans-81.5-10.8176.945.90000114.5R218 L219 S224R218-T222 PolarHBondContact O-N 3.45Å; R218-T222 PolarHBondContact O-OG1 2.93Å; R218-T222 VanDerWaalsContact O-OG1 3.12Å; L219-T222 PolarHBondContact O-OG1 2.87Å; T222-S224 VanDerWaalsContact C-N 3.27Å; T222-S224 PolarHBondContact O-N 3.14Å
223S54.3Low60.6Low78 Ų7894.1 Ų94.155%0.54556%0.561SS.*THydrogen-bonded Turntrans-85.116-171.670.30000115.2T220T220-S223 PolarHBondContact O-OG 3.04Å; T220-S223 VanDerWaalsContact O-OG 3.13Å
224S49.4Very low58.6Low101 Ų10197.4 Ų97.471%0.70658%0.584SS**THydrogen-bonded Turntrans-84.5-10.1-179.751.30000114.3T222T222-S224 VanDerWaalsContact C-N 3.27Å; T222-S224 PolarHBondContact O-N 3.14Å
225L47.1Very low56.6Low157 Ų15799.5 Ų99.582%0.82260%0.598SS**SBendtrans-135.9119.2174.8-66.6174.6000110.4
226G43.2Very low54.6Low72 Ų72102.7 Ų102.774%0.74261%0.614SS**  trans89.3119.8172.200000115.2S228G226-S228 PolarHBondContact O-N 3.45Å
227S47.3Very low52.2Low130 Ų130105.2 Ų105.291%0.90963%0.633SS**  trans-85.986.9-177.956.50000113
228S42.1Very low50Low106 Ų106112.1 Ų112.174%0.74167%0.67SS**  trans-147.789.8165.361.60000111.8G226 P230G226-S228 PolarHBondContact O-N 3.45Å; S228-P230 WeakPolarHBondContact O-CD 3.41Å
229L46.8Very low48.2Very low162 Ų162108.9 Ų108.985%0.84867%0.674SS**PPolyproline II helixtrans-72.2120.2172.4-68.8173.6000110S231L229-S231 PolarHBondContact O-N 2.75Å
230P43.2Very low46.1Very low99 Ų99109.1 Ų109.164%0.64369%0.685SS**PPolyproline II helixtrans-66.6124.516328.8-32000108.1S228S228-P230 WeakPolarHBondContact O-CD 3.41Å
231S41Very low44.7Very low87 Ų87115.6 Ų115.661%0.60872%0.716SS**PPolyproline II helixtrans-61.5143.3-178.9-171.70000111.2L229 S233 S234L229-S231 PolarHBondContact O-N 2.75Å; S231-S233 PolarHBondContact O-N 2.7Å; S231-S233 PolarHBondContact O-OG 3.44Å; S231-S234 PolarHBondContact O-N 3.25Å; S231-S234 VanDerWaalsContact O-N 3.08Å
232L42.7Very low43.2Very low132 Ų132114.3 Ų114.369%0.69172%0.717SS**G310 helixtrans-62.1-8-174.9-65.2174.6000114S234 L235L232-S234 PolarHBondContact O-N 3.09Å; L232-L235 PolarHBondContact O-N 3.44Å
233S41.3Very low42.1Very low73 Ų73116.4 Ų116.451%0.5173%0.73SS.*G310 helixtrans-54.6-24.2166.647.80000114.2S231 L235 H236S231-S233 PolarHBondContact O-N 2.7Å; S231-S233 PolarHBondContact O-OG 3.44Å; S233-L235 PolarHBondContact O-N 2.9Å; S233-H236 PolarHBondContact O-N 2.94Å; S233-H236 VanDerWaalsContact O-N 3.13Å
234S41.2Very low41.1Very low90 Ų90121.1 Ų121.163%0.62975%0.746SS**G310 helixtrans-56.5-21.6177.8-170.30000114.2S231 L232 H236S231-S234 PolarHBondContact O-N 3.25Å; S231-S234 VanDerWaalsContact O-N 3.08Å; L232-S234 PolarHBondContact O-N 3.09Å; S234-H236 VanDerWaalsContact C-N 3.32Å; S234-H236 PolarHBondContact O-N 3.5Å
235L40.5Very low40.5Very low127 Ų127121.9 Ų121.967%0.66575%0.748SS**G310 helixtrans-80-5179.7-64.7174.8000114.7L232 S233L232-L235 PolarHBondContact O-N 3.44Å; S233-L235 PolarHBondContact O-N 2.9Å
236H39.1Very low39.7Very low171 Ų171120 Ų12079%0.79275%0.748SS**G310 helixtrans-117.214.5-172.8-61.9158.3000114.5S233 S234S233-H236 PolarHBondContact O-N 2.94Å; S233-H236 VanDerWaalsContact O-N 3.13Å; S234-H236 VanDerWaalsContact C-N 3.32Å; S234-H236 PolarHBondContact O-N 3.5Å
237S32.1Very low39.2Very low76 Ų76120.9 Ų120.953%0.53175%0.748SS.*  trans-139.660.7-167.7-58.30000115.1S239S237-S239 PolarHBondContact O-N 3.02Å
238N37.9Very low38.6Very low173 Ų173124.5 Ų124.593%0.92575%0.748SS**  trans-76.958.3162.1-78.921.8000111.1
239S43.6Very low38.2Very low104 Ų104126.8 Ų126.873%0.72775%0.75SS**  trans-161.959.8175.763.20000113.7S237S237-S239 PolarHBondContact O-N 3.02Å
240S34.3Very low37.5Very low114 Ų114122.2 Ų122.280%0.79774%0.742SS**  trans-175.2124.5149.650.80000110.6
241I42.1Very low37Very low184 Ų184125.5 Ų125.594%0.94475%0.754SS**  trans-103140.7162.6-65.8173.9000106.4
242G40.3Very low36.6Very low65 Ų65124.6 Ų124.667%0.6776%0.759SS**  trans137.160.1171.500000116.9
243T35.7Very low36Very low143 Ų143124.6 Ų124.688%0.87777%0.769SS**  trans178.2120140.222.90000109.5
244M32.3Very low35.8Very low178 Ų178127.9 Ų127.988%0.87779%0.787SS**  trans-104.6132170.1-77.7-72.8-72.600109.2
245P36.4Very low35.5Very low116 Ų116129.4 Ų129.475%0.75380%0.797SS**PPolyproline II helixtrans-69.2132.4170.729.1-32.7000110A247P245-A247 PolarHBondContact O-N 2.78Å
246S30Very low35.1Very low119 Ų119128.9 Ų128.983%0.83280%0.804SS**PPolyproline II helixtrans-76.3120.8-176.6-175.80000111.7
247A33.8Very low34.7Very low90 Ų90128.9 Ų128.974%0.74481%0.809SS**PPolyproline II helixtrans-88.4116.116500000109P245 I249P245-A247 PolarHBondContact O-N 2.78Å; A247-I249 PolarHBondContact O-N 3.35Å
248K33.6Very low35.1Very low206 Ų206131 Ų13190%0.89682%0.821SS**  trans-83.4106.4-174.9-166.2173-175.4177.90110.3
249I34.2Very low34.8Very low154 Ų154132.1 Ų132.179%0.7982%0.823SS**  trans-70141.3172.3-58.8174.4000108.6A247A247-I249 PolarHBondContact O-N 3.35Å
250G32.6Very low34.2Very low65 Ų65133 Ų13367%0.6783%0.83SS**  trans-115.1136.2169.400000110.3
251D33.3Very low34.2Very low168 Ų168133.2 Ų133.290%0.89883%0.831SS**  trans-75.2142.5-179.5-48.5-71.2000111.2
252G31Very low33.8Very low69 Ų69129.3 Ų129.371%0.71183%0.826SS**  trans-170.547.1-165.800000119
253S30.9Very low33.6Very low131 Ų131135.7 Ų135.792%0.91684%0.835SS**  trans64.3155.9154.6-620000120.8
254T37.9Very low33.9Very low142 Ų142134 Ų13487%0.87183%0.827SS**  trans-101.3144.9-175.452.40000113.3
255S33.3Very low33.8Very low122 Ų122133.6 Ų133.685%0.85383%0.825SS**  trans-145133.4153.159.30000110.4
256S32.4Very low33.6Very low116 Ų116133.1 Ų133.181%0.81182%0.824SS**  trans-83.1151.9-170.844.90000114.1
257L31.6Very low33.6Very low172 Ų172133.1 Ų133.190%0.90182%0.82SS**  trans-111.7135.4159.4-69175.1000108.9
258P39.9Very low33.5Very low121 Ų121137.1 Ų137.179%0.78682%0.823SS**  trans-85.7147.9-177.133.5-34.5000113
259M31.9Very low33.3Very low195 Ų195132.9 Ų132.996%0.96182%0.815SS**  trans-85.1140.3156.6-76.6163.146.300109.3
260S31.1Very low33.2Very low124 Ų124131.2 Ų131.287%0.86782%0.817SS**  trans-134138.9162.658.80000110.1
261S33.9Very low32.9Very low117 Ų117136.8 Ų136.882%0.81883%0.825SS**  trans-124.1167.7-176.255.70000111.2
262A34.4Very low33.6Very low103 Ų103133.3 Ų133.385%0.85181%0.812SS**  trans79.6143.3168.400000119.5
263K35.4Very low33.6Very low198 Ų198137.6 Ų137.686%0.86181%0.813SS**  trans-85.6172.8166.3-107.2176.6-179.21780108.7
264P42.6Very low33.9Very low109 Ų109138.4 Ų138.471%0.70881%0.806SS**  cis-155-173.144.243.5-21.1000119.4
265M28.7Very low34.5Very low169 Ų169136.5 Ų136.583%0.83380%0.796SS**  trans77.799.7147.7-85.116654.700123.4
266S32.5Very low34.4Very low105 Ų105137.9 Ų137.973%0.73479%0.794SS**  80.6162112.8-140.30000123.6
267T31.2Very low34.7Very low120 Ų120138.6 Ų138.674%0.73679%0.794SS**  trans69.8116.4168.1430000121.4
268Q31.9Very low35.5Very low174 Ų174136.1 Ų136.181%0.81379%0.788SS**  17.4148.8128.3-43.1178.510.200118.8
269T28.8Very low35.4Very low117 Ų117138.6 Ų138.672%0.71879%0.789SS**  cis-165.6170.426.8-24.70000112.3
270S31.6Very low36Very low119 Ų119133.7 Ų133.783%0.83277%0.772SS**  trans87.3142.4150.8-55.70000122.4
271E27.6Very low36.2Very low181 Ų181134.6 Ų134.685%0.84677%0.767SS**  trans-109.7-174.8173.9-121.1-166.2136.900109.5
272P47.3Very low36.6Very low95 Ų95138.4 Ų138.462%0.61777%0.772SS**  cis-137.7-171.6-15.427.7-2.9000115.7
273Q31.3Very low36.9Very low160 Ų160138.8 Ų138.875%0.74877%0.768SS**  trans101.9105.6151.3-59.2-163.3-94.300123.2
274L37.4Very low37.4Very low147 Ų147136.8 Ų136.877%0.7777%0.766SS**  67.1156.8129.1-57.3175.3000121.6
275P48.9Very low37.6Very low102 Ų102138.3 Ų138.366%0.66276%0.763SS**  cis-139.1176.2-42.740.4-24000115.4
276D32.3Very low38.5Very low152 Ų152138.4 Ų138.481%0.81377%0.767SS**  trans48.698.6153.4-63.2-17000123.3
277V39.5Very low39.6Very low131 Ų131139.4 Ų139.479%0.79476%0.758SS**  trans-149.1137.2133.2-1760000109.1
278P47.4Very low41.5Very low120 Ų120137.8 Ų137.878%0.77975%0.749SS**  trans-93.5133.8175.934.4-32.3000114.1
279E36.9Very low43.4Very low172 Ų172135.8 Ų135.880%0.80474%0.742SS**  trans-128.9151.3174-83.1-71.5148.900111.5
280P44.9Very low45.4Very low93 Ų93136 Ų13660%0.60474%0.739SS**  trans-94.4110.9-170.135-30.2000114.8E282P280-E282 PolarHBondContact O-N 3.04Å
281N35.7Very low47.4Very low142 Ų142134.9 Ų134.976%0.75972%0.72SS**  trans32.862.4148.377.3-50000120.6S283N281-S283 PolarHBondContact O-N 3.16Å
282E42Very low49.8Very low198 Ų198133.4 Ų133.493%0.92571%0.711SS**  trans-61.4130.1155.2-70.9-151129.600110.8P280P280-E282 PolarHBondContact O-N 3.04Å
283S42.1Very low51.3Low111 Ų111133.9 Ų133.978%0.77671%0.705SS**  trans-134.552.3-172.4-158.10000112.7N281N281-S283 PolarHBondContact O-N 3.16Å
284L44.8Very low53.9Low155 Ų155133.4 Ų133.481%0.81270%0.701SS**  trans-139.8144.4166.1-66169.8000105.7
285H46.6Very low56Low142 Ų142129.6 Ų129.666%0.65768%0.681SS**  cis-153.9131.915-151.782.5000108.9
286N48.7Very low57.9Low170 Ų170129.4 Ų129.491%0.90967%0.671SS**  trans-157.585.2168.7-102.8-32.4000110.3
287K54.3Low60.6Low126 Ų126127.5 Ų127.555%0.54866%0.658SS.*  trans-81.5127.3166.5-76-165.1163.4-163.70109.5E291 D295K287-E291 WeakPolarHBondContact CG-OE2 3.45Å; K287-D295 IonicContact NZ-OD2 3.51Å
288T72.5Confident63.1Low87 Ų87126 Ų12653%0.53464%0.64SS.*  trans-61147.1175.5-47.40000110.7D290 E291 F292T288-D290 HydrophobicContact CG2-CB 4.37Å; T288-D290 PolarHBondContact O-N 3.42Å; T288-D290 VanDerWaalsContact O-N 3.14Å; T288-E291 WeakPolarHBondContact O-CB 3.31Å; T288-E291 PolarHBondContact O-N 3.24Å; T288-F292 PolarHBondContact O-N 3.31Å
289I70Confident65.2Low132 Ų132123.1 Ų123.168%0.67762%0.623SS**Hα-helixtrans-53.1-37.1179.1-62.8171.7000111.2E291 F292 Q293I289-E291 VanDerWaalsContact C-N 3.29Å; I289-E291 PolarHBondContact O-N 2.83Å; I289-F292 WeakPolarHBondContact O-CB 3.44Å; I289-F292 PolarHBondContact O-N 3.24Å; I289-F292 VanDerWaalsContact O-N 3.08Å; I289-Q293 PolarHBondContact O-N 3.01Å
290D71.3Confident67.9Low121 Ų121118.1 Ų118.165%0.64760%0.601SS**Hα-helixtrans-60.7-31.5176.1-53.4-26000113.7T288 K294T288-D290 HydrophobicContact CG2-CB 4.37Å; T288-D290 PolarHBondContact O-N 3.42Å; T288-D290 VanDerWaalsContact O-N 3.14Å; D290-K294 WeakPolarHBondContact O-CB 3.34Å; D290-K294 PolarHBondContact O-N 3.17Å
291E73.8Confident70.2Confident96 Ų96121.1 Ų121.145%0.44960%0.601SS.*Hα-helixtrans-70-39.4174.2-65.1-151.9135.700111.4K287 T288 I289 K294 D295K287-E291 WeakPolarHBondContact CG-OE2 3.45Å; T288-E291 WeakPolarHBondContact O-CB 3.31Å; T288-E291 PolarHBondContact O-N 3.24Å; I289-E291 VanDerWaalsContact C-N 3.29Å; I289-E291 PolarHBondContact O-N 2.83Å; E291-K294 PolarHBondContact O-N 2.97Å; E291-D295 PolarHBondContact O-N 3.01Å
292F77.5Confident72.8Confident149 Ų149119.3 Ų119.365%0.65459%0.59SS**Hα-helixtrans-65.4-45.7176.5-176.6-90.2000111T288 I289 K294 D295 Q296T288-F292 PolarHBondContact O-N 3.31Å; I289-F292 WeakPolarHBondContact O-CB 3.44Å; I289-F292 PolarHBondContact O-N 3.24Å; I289-F292 VanDerWaalsContact O-N 3.08Å; F292-K294 VanDerWaalsContact C-N 3.31Å; F292-K294 PolarHBondContact O-N 3.38Å; F292-D295 PolarHBondContact O-N 2.93Å; F292-Q296 WeakPolarHBondContact O-CB 3.36Å; F292-Q296 PolarHBondContact O-N 2.92Å
293Q80Confident75.2Confident106 Ų106115.6 Ų115.650%0.49557%0.571SS.*Hα-helixtrans-53.5-48.1172.8-168.695.115.400111.1I289 Q296 E297I289-Q293 PolarHBondContact O-N 3.01Å; Q293-Q296 WeakPolarHBondContact O-CB 3.45Å; Q293-Q296 PolarHBondContact O-N 3.16Å; Q293-E297 PolarHBondContact O-N 3.16Å
294K84.7Confident77.7Confident150 Ų150113.4 Ų113.465%0.65256%0.56SS**Hα-helixtrans-68.7-36.5-178.8-173.9176.9-175175.40113.6D290 E291 F292 K298D290-K294 WeakPolarHBondContact O-CB 3.34Å; D290-K294 PolarHBondContact O-N 3.17Å; E291-K294 PolarHBondContact O-N 2.97Å; F292-K294 VanDerWaalsContact C-N 3.31Å; F292-K294 PolarHBondContact O-N 3.38Å; K294-K298 WeakPolarHBondContact O-CB 3.19Å; K294-K298 PolarHBondContact O-N 3.2Å; K294-K298 VanDerWaalsContact O-N 3.17Å
295D82.7Confident80Confident66 Ų66113.8 Ų113.835%0.35355%0.55SS.*Hα-helixtrans-72.6-30.4172.2-93.6-25.9000111.8K287 E291 F292 K298 C299K287-D295 IonicContact NZ-OD2 3.51Å; E291-D295 PolarHBondContact O-N 3.01Å; F292-D295 PolarHBondContact O-N 2.93Å; D295-K298 WeakPolarHBondContact OD1-CD 3.34Å; D295-K298 WeakPolarHBondContact OD1-CE 3.18Å; D295-K298 IonicContact OD1-NZ 2.96Å; D295-K298 PolarHBondContact OD1-NZ 3.39Å; D295-C299 WeakPolarHBondContact O-CB 3.42Å; D295-C299 PolarHBondContact O-N 3.36Å
296Q87.3Confident82.2Confident98 Ų98112.9 Ų112.946%0.45855%0.545SS..Hα-helixtrans-66.1-52.4172.1-177.7174.4-8.400111.8F292 Q293 K298 C299 D300F292-Q296 WeakPolarHBondContact O-CB 3.36Å; F292-Q296 PolarHBondContact O-N 2.92Å; Q293-Q296 WeakPolarHBondContact O-CB 3.45Å; Q293-Q296 PolarHBondContact O-N 3.16Å; Q296-K298 PolarHBondContact O-N 3.21Å; Q296-C299 CarbonylContact O-C 3.6Å; Q296-C299 WeakPolarHBondContact O-CA 3.2Å; Q296-C299 VanDerWaalsContact O-CB 3.25Å; Q296-C299 WeakPolarHBondContact O-CB 3.33Å; Q296-C299 PolarHBondContact O-N 3.38Å; Q296-D300 PolarHBondContact O-N 2.95Å
297E90.4Very high84.3Confident113 Ų113107.3 Ų107.353%0.52852%0.522SS..Hα-helixtrans-56.5-37.6175.2-71.9176.6-171.800112.7Q293 R301Q293-E297 PolarHBondContact O-N 3.16Å; E297-R301 VanDerWaalsContact O-CB 3.25Å; E297-R301 WeakPolarHBondContact O-CB 3.43Å; E297-R301 PolarHBondContact O-N 3.15Å; E297-R301 PolarHBondContact O-NH1 3.11Å
298K92.5Very high86.2Confident99 Ų99106 Ų10643%0.4352%0.518SS..Hα-helixtrans-68-39.2174.7171.5179.3151.9-154.70111.6K294 D295 Q296 L302K294-K298 WeakPolarHBondContact O-CB 3.19Å; K294-K298 PolarHBondContact O-N 3.2Å; K294-K298 VanDerWaalsContact O-N 3.17Å; D295-K298 WeakPolarHBondContact OD1-CD 3.34Å; D295-K298 WeakPolarHBondContact OD1-CE 3.18Å; D295-K298 IonicContact OD1-NZ 2.96Å; D295-K298 PolarHBondContact OD1-NZ 3.39Å; Q296-K298 PolarHBondContact O-N 3.21Å; K298-L302 HydrophobicContact CG-CD1 4.39Å; K298-L302 WeakPolarHBondContact O-CB 3.46Å; K298-L302 WeakPolarHBondContact O-CD1 3.46Å; K298-L302 VanDerWaalsContact O-CG 3.22Å; K298-L302 WeakPolarHBondContact O-CG 3.5Å; K298-L302 PolarHBondContact O-N 2.93Å; K298-L302 VanDerWaalsContact O-N 3.1Å
299C91Very high87.1Confident60 Ų60106.4 Ų106.441%0.40552%0.517SS..Hα-helixtrans-62.2-48.4173-165.50000111D295 Q296 L302 K303D295-C299 WeakPolarHBondContact O-CB 3.42Å; D295-C299 PolarHBondContact O-N 3.36Å; Q296-C299 CarbonylContact O-C 3.6Å; Q296-C299 WeakPolarHBondContact O-CA 3.2Å; Q296-C299 VanDerWaalsContact O-CB 3.25Å; Q296-C299 WeakPolarHBondContact O-CB 3.33Å; Q296-C299 PolarHBondContact O-N 3.38Å; C299-L302 CarbonylContact O-C 3.6Å; C299-L302 WeakPolarHBondContact O-CA 3.31Å; C299-L302 WeakPolarHBondContact O-CB 3.43Å; C299-L302 PolarHBondContact O-N 3.25Å; C299-L302 VanDerWaalsContact O-N 3.08Å; C299-K303 WeakPolarHBondContact O-CG 3.49Å; C299-K303 PolarHBondContact O-N 3.45Å; C299-K303 VanDerWaalsContact SG-CE 3.52Å
300D92.6Very high88.1Confident67 Ų67104.2 Ų104.236%0.35850%0.503SS..Hα-helixtrans-69.3-37.1-177.4-67.5-33.2000112.4Q296 L302 K303 A304Q296-D300 PolarHBondContact O-N 2.95Å; D300-L302 VanDerWaalsContact C-N 3.28Å; D300-L302 PolarHBondContact O-N 3.2Å; D300-K303 PolarHBondContact O-N 2.89Å; D300-K303 WeakPolarHBondContact OD1-CD 3.3Å; D300-K303 WeakPolarHBondContact OD1-CE 3.45Å; D300-K303 IonicContact OD1-NZ 2.92Å; D300-K303 PolarHBondContact OD1-NZ 2.93Å; D300-A304 WeakPolarHBondContact O-CB 3.46Å; D300-A304 PolarHBondContact O-N 3.32Å
301R92.8Very high89.1Confident155 Ų155104.5 Ų104.559%0.58550%0.502SS*.Hα-helixtrans-60.8-34.6168.7-177.8168.362.1-100.65.7112.8E297 R305E297-R301 VanDerWaalsContact O-CB 3.25Å; E297-R301 WeakPolarHBondContact O-CB 3.43Å; E297-R301 PolarHBondContact O-N 3.15Å; E297-R301 PolarHBondContact O-NH1 3.11Å; R301-R305 WeakPolarHBondContact O-CB 3.42Å; R301-R305 PolarHBondContact O-N 3.42Å; R301-R305 VanDerWaalsContact O-N 3.11Å
302L91.5Very high90Very high104 Ų104106.8 Ų106.855%0.54551%0.507SS..Hα-helixtrans-74.8-36.8174.6-72.2168.1000112.3K298 C299 D300 R305 K306K298-L302 HydrophobicContact CG-CD1 4.39Å; K298-L302 WeakPolarHBondContact O-CB 3.46Å; K298-L302 WeakPolarHBondContact O-CD1 3.46Å; K298-L302 VanDerWaalsContact O-CG 3.22Å; K298-L302 WeakPolarHBondContact O-CG 3.5Å; K298-L302 PolarHBondContact O-N 2.93Å; K298-L302 VanDerWaalsContact O-N 3.1Å; C299-L302 CarbonylContact O-C 3.6Å; C299-L302 WeakPolarHBondContact O-CA 3.31Å; C299-L302 WeakPolarHBondContact O-CB 3.43Å; C299-L302 PolarHBondContact O-N 3.25Å; C299-L302 VanDerWaalsContact O-N 3.08Å; D300-L302 VanDerWaalsContact C-N 3.28Å; D300-L302 PolarHBondContact O-N 3.2Å; L302-R305 PolarHBondContact O-N 3.14Å; L302-K306 WeakPolarHBondContact O-CB 3.29Å; L302-K306 PolarHBondContact O-N 3.3Å
303K92.6Very high90.7Very high121 Ų121104.9 Ų104.953%0.52650%0.503SS..Hα-helixtrans-61-47.3171.4-66.7171.7-162.11620111.2C299 D300 R305 K306 A307C299-K303 WeakPolarHBondContact O-CG 3.49Å; C299-K303 PolarHBondContact O-N 3.45Å; C299-K303 VanDerWaalsContact SG-CE 3.52Å; D300-K303 PolarHBondContact O-N 2.89Å; D300-K303 WeakPolarHBondContact OD1-CD 3.3Å; D300-K303 WeakPolarHBondContact OD1-CE 3.45Å; D300-K303 IonicContact OD1-NZ 2.92Å; D300-K303 PolarHBondContact OD1-NZ 2.93Å; K303-R305 PolarHBondContact O-N 3.36Å; K303-K306 WeakPolarHBondContact O-CB 3.39Å; K303-K306 PolarHBondContact O-N 2.88Å; K303-A307 PolarHBondContact O-N 3.35Å
304A94.2Very high91.1Very high65 Ų65108.7 Ų108.754%0.53751%0.513SS..Hα-helixtrans-59.3-47.6177.200000111.7D300 K306 A307 E308D300-A304 WeakPolarHBondContact O-CB 3.46Å; D300-A304 PolarHBondContact O-N 3.32Å; A304-K306 VanDerWaalsContact C-N 3.32Å; A304-K306 PolarHBondContact O-N 3.47Å; A304-A307 PolarHBondContact O-N 2.98Å; A304-E308 PolarHBondContact O-N 3.47Å
305R93.1Very high91.4Very high162 Ų162107 Ų10761%0.61151%0.507SS*.Hα-helixtrans-63.9-34.5176.2-170.3176.7-177.9-174.30.7112.9R301 L302 K303 L309R301-R305 WeakPolarHBondContact O-CB 3.42Å; R301-R305 PolarHBondContact O-N 3.42Å; R301-R305 VanDerWaalsContact O-N 3.11Å; L302-R305 PolarHBondContact O-N 3.14Å; K303-R305 PolarHBondContact O-N 3.36Å; R305-L309 HydrophobicContact CG-CD1 4.26Å; R305-L309 WeakPolarHBondContact O-CB 3.45Å; R305-L309 VanDerWaalsContact O-CG 3.26Å; R305-L309 WeakPolarHBondContact O-CG 3.36Å; R305-L309 PolarHBondContact O-N 3.27Å; R305-L309 VanDerWaalsContact O-N 3.1Å
306K92.9Very high91.9Very high124 Ų124108.8 Ų108.854%0.53951%0.512SS..Hα-helixtrans-62.1-50172.3178.2-175.7166.5-177.30110.6L302 K303 A304 E308 L309 E310L302-K306 WeakPolarHBondContact O-CB 3.29Å; L302-K306 PolarHBondContact O-N 3.3Å; K303-K306 WeakPolarHBondContact O-CB 3.39Å; K303-K306 PolarHBondContact O-N 2.88Å; A304-K306 VanDerWaalsContact C-N 3.32Å; A304-K306 PolarHBondContact O-N 3.47Å; K306-E308 VanDerWaalsContact C-N 3.34Å; K306-E308 PolarHBondContact O-N 2.83Å; K306-L309 PolarHBondContact O-N 3.32Å; K306-E310 VanDerWaalsContact CE-CD 3.41Å; K306-E310 WeakPolarHBondContact CE-OE1 3.41Å; K306-E310 HydrophobicContact CG-CG 4.43Å; K306-E310 IonicContact NZ-OE1 2.66Å; K306-E310 PolarHBondContact NZ-OE1 3.49Å; K306-E310 WeakPolarHBondContact O-CG 3.4Å; K306-E310 PolarHBondContact O-N 2.87Å
307A93.1Very high91.8Very high53 Ų53107.2 Ų107.244%0.43851%0.505SS..Hα-helixtrans-62.3-39179.600000112.6K303 A304 E310 M311K303-A307 PolarHBondContact O-N 3.35Å; A304-A307 PolarHBondContact O-N 2.98Å; A307-E310 PolarHBondContact O-N 3.41Å; A307-M311 VanDerWaalsContact O-CB 3.32Å; A307-M311 WeakPolarHBondContact O-CB 3.5Å; A307-M311 PolarHBondContact O-N 2.92Å
308E94.6Very high91.7Very high98 Ų98106.2 Ų106.246%0.45850%0.5SS..Hα-helixtrans-58.6-46.8172.5-168.8-154.1151.800111.6A304 K306 M311 R312A304-E308 PolarHBondContact O-N 3.47Å; K306-E308 VanDerWaalsContact C-N 3.34Å; K306-E308 PolarHBondContact O-N 2.83Å; E308-M311 PolarHBondContact O-N 3.23Å; E308-R312 VanDerWaalsContact O-CB 3.3Å; E308-R312 WeakPolarHBondContact O-CB 3.46Å; E308-R312 PolarHBondContact O-N 2.9Å
309L91.6Very high91.6Very high96 Ų96105.1 Ų105.150%0.50350%0.497SS..Hα-helixtrans-67.8-38.5179.3-70.9169.5000112.5R305 K306 R312 L313R305-L309 HydrophobicContact CG-CD1 4.26Å; R305-L309 WeakPolarHBondContact O-CB 3.45Å; R305-L309 VanDerWaalsContact O-CG 3.26Å; R305-L309 WeakPolarHBondContact O-CG 3.36Å; R305-L309 PolarHBondContact O-N 3.27Å; R305-L309 VanDerWaalsContact O-N 3.1Å; K306-L309 PolarHBondContact O-N 3.32Å; L309-R312 PolarHBondContact O-N 3.2Å; L309-L313 WeakPolarHBondContact O-CB 3.44Å; L309-L313 PolarHBondContact O-N 2.87Å
310E90.5Very high91.4Very high86 Ų86105.2 Ų105.240%0.40249%0.493SS..Hα-helixtrans-66.8-40.5175.4-73.2177.5158.500112K306 A307 L313 R314K306-E310 VanDerWaalsContact CE-CD 3.41Å; K306-E310 WeakPolarHBondContact CE-OE1 3.41Å; K306-E310 HydrophobicContact CG-CG 4.43Å; K306-E310 IonicContact NZ-OE1 2.66Å; K306-E310 PolarHBondContact NZ-OE1 3.49Å; K306-E310 WeakPolarHBondContact O-CG 3.4Å; K306-E310 PolarHBondContact O-N 2.87Å; A307-E310 PolarHBondContact O-N 3.41Å; E310-L313 PolarHBondContact O-N 3.1Å; E310-R314 WeakPolarHBondContact O-CG 3.5Å; E310-R314 PolarHBondContact O-N 3.44Å
311M92.8Very high91.1Very high126 Ų126104.2 Ų104.262%0.62149%0.486SS*.Hα-helixtrans-63.2-45.4172.7175.7167.854.200111.5A307 E308 L313 R314 Q315A307-M311 VanDerWaalsContact O-CB 3.32Å; A307-M311 WeakPolarHBondContact O-CB 3.5Å; A307-M311 PolarHBondContact O-N 2.92Å; E308-M311 PolarHBondContact O-N 3.23Å; M311-L313 VanDerWaalsContact C-N 3.32Å; M311-L313 PolarHBondContact O-N 2.93Å; M311-R314 PolarHBondContact O-N 2.64Å; M311-Q315 PolarHBondContact O-N 2.92Å
312R92.5Very high90.9Very high145 Ų145101.2 Ų101.255%0.54748%0.481SS..Hα-helixtrans-65.5-34.4177.5-165.6178.9-169.4114.74.3112.5E308 L309 K316E308-R312 VanDerWaalsContact O-CB 3.3Å; E308-R312 WeakPolarHBondContact O-CB 3.46Å; E308-R312 PolarHBondContact O-N 2.9Å; L309-R312 PolarHBondContact O-N 3.2Å; R312-K316 PolarHBondContact O-N 3.19Å; R312-K316 VanDerWaalsContact O-N 3.08Å
313L91.3Very high90.7Very high108 Ų108100 Ų10057%0.56548%0.478SS*.Hα-helixtrans-64.2-50.1172.5178.260.1000110.7L309 E310 M311 Q315 K316 M317L309-L313 WeakPolarHBondContact O-CB 3.44Å; L309-L313 PolarHBondContact O-N 2.87Å; E310-L313 PolarHBondContact O-N 3.1Å; M311-L313 VanDerWaalsContact C-N 3.32Å; M311-L313 PolarHBondContact O-N 2.93Å; L313-Q315 VanDerWaalsContact C-N 3.28Å; L313-Q315 PolarHBondContact O-N 3.43Å; L313-K316 PolarHBondContact O-N 3.13Å; L313-M317 HydrophobicContact CD1-CG 4.41Å; L313-M317 HydrophobicContact CD1-SD 4.47Å; L313-M317 WeakPolarHBondContact O-CG 3.34Å; L313-M317 PolarHBondContact O-N 2.85Å
314R88Confident90.3Very high186 Ų18694.5 Ų94.570%0.70245%0.454SS*.Hα-helixtrans-57-40.8176-70.5174.3-173170.94.5112.2E310 M311 K316 M317 Q318E310-R314 WeakPolarHBondContact O-CG 3.5Å; E310-R314 PolarHBondContact O-N 3.44Å; M311-R314 PolarHBondContact O-N 2.64Å; R314-K316 PolarHBondContact O-N 3.12Å; R314-M317 PolarHBondContact O-N 2.86Å; R314-Q318 PolarHBondContact O-N 3.22Å
315Q92.1Very high89.9Confident114 Ų11493 Ų9353%0.53344%0.438SS..Hα-helixtrans-59.4-44.9173.7-172.8-178.51300111.9M311 L313 Q318 E319M311-Q315 PolarHBondContact O-N 2.92Å; L313-Q315 VanDerWaalsContact C-N 3.28Å; L313-Q315 PolarHBondContact O-N 3.43Å; Q315-Q318 PolarHBondContact O-N 2.88Å; Q315-E319 WeakPolarHBondContact O-CG 3.5Å; Q315-E319 PolarHBondContact O-N 3.28Å
316K92.3Very high89.3Confident105 Ų10591.4 Ų91.446%0.45744%0.438SS..Hα-helixtrans-70.6-30.4177.8-68.4-44-171.1-168.70114.1R312 L313 R314 E319 L320R312-K316 PolarHBondContact O-N 3.19Å; R312-K316 VanDerWaalsContact O-N 3.08Å; L313-K316 PolarHBondContact O-N 3.13Å; R314-K316 PolarHBondContact O-N 3.12Å; K316-E319 WeakPolarHBondContact CD-OE1 3.46Å; K316-E319 WeakPolarHBondContact CD-OE2 3.14Å; K316-E319 IonicContact NZ-OE1 2.64Å; K316-E319 PolarHBondContact NZ-OE1 2.66Å; K316-E319 IonicContact NZ-OE2 3.14Å; K316-E319 PolarHBondContact NZ-OE2 3.31Å; K316-L320 WeakPolarHBondContact O-CB 3.41Å; K316-L320 PolarHBondContact O-N 2.88Å
317M86.4Confident88.9Confident64 Ų6490.4 Ų90.432%0.31544%0.435SS..Hα-helixtrans-64.9-43.7169.8-62.5-54.1-73.200110.9L313 R314 L320 K321 D340 V341L313-M317 HydrophobicContact CD1-CG 4.41Å; L313-M317 HydrophobicContact CD1-SD 4.47Å; L313-M317 WeakPolarHBondContact O-CG 3.34Å; L313-M317 PolarHBondContact O-N 2.85Å; R314-M317 PolarHBondContact O-N 2.86Å; M317-L320 PolarHBondContact O-N 2.72Å; M317-K321 PolarHBondContact O-N 2.82Å; M317-D340 WeakPolarHBondContact CE-O 3.32Å; M317-V341 HydrophobicContact CB-CG1 4.46Å; M317-V341 HydrophobicContact CE-CB 4.39Å; M317-V341 HydrophobicContact CE-CG2 3.86Å; M317-V341 WeakPolarHBondContact O-CG1 3.46Å
318Q86.7Confident88.3Confident92 Ų9287.9 Ų87.943%0.4341%0.414SS..Hα-helixtrans-65.3-44.8176.8-176.356.14800112.2R314 Q315 L320 K321 D322R314-Q318 PolarHBondContact O-N 3.22Å; Q315-Q318 PolarHBondContact O-N 2.88Å; Q318-L320 VanDerWaalsContact C-N 3.25Å; Q318-L320 PolarHBondContact O-N 3.33Å; Q318-K321 WeakPolarHBondContact O-CA 3.36Å; Q318-K321 VanDerWaalsContact O-CB 3.25Å; Q318-K321 WeakPolarHBondContact O-CB 3.39Å; Q318-K321 PolarHBondContact O-N 3.07Å; Q318-D322 VanDerWaalsContact NE2-CG 3.25Å; Q318-D322 PolarHBondContact NE2-OD1 2.72Å; Q318-D322 PolarHBondContact NE2-OD2 2.91Å; Q318-D322 PolarHBondContact O-N 3.08Å
319E90.8Very high87.6Confident76 Ų7684.7 Ų84.736%0.35540%0.4SS..Hα-helixtrans-55.9-40.3173-74.2176.3-141.400112Q315 K316 D322 V323Q315-E319 WeakPolarHBondContact O-CG 3.5Å; Q315-E319 PolarHBondContact O-N 3.28Å; K316-E319 WeakPolarHBondContact CD-OE1 3.46Å; K316-E319 WeakPolarHBondContact CD-OE2 3.14Å; K316-E319 IonicContact NZ-OE1 2.64Å; K316-E319 PolarHBondContact NZ-OE1 2.66Å; K316-E319 IonicContact NZ-OE2 3.14Å; K316-E319 PolarHBondContact NZ-OE2 3.31Å; E319-D322 PolarHBondContact O-N 3.42Å; E319-V323 WeakPolarHBondContact O-CG2 3.28Å; E319-V323 PolarHBondContact O-N 2.9Å
320L87.5Confident86.8Confident62 Ų6286 Ų8633%0.32541%0.407SS..Hα-helixtrans-66.6-38.3175.7-17760.2000112K316 M317 Q318 D322 V323 C324 E337 V341K316-L320 WeakPolarHBondContact O-CB 3.41Å; K316-L320 PolarHBondContact O-N 2.88Å; M317-L320 PolarHBondContact O-N 2.72Å; Q318-L320 VanDerWaalsContact C-N 3.25Å; Q318-L320 PolarHBondContact O-N 3.33Å; L320-D322 VanDerWaalsContact C-N 3.33Å; L320-D322 PolarHBondContact O-N 3.02Å; L320-V323 PolarHBondContact O-N 3.42Å; L320-C324 WeakPolarHBondContact O-CB 3.47Å; L320-C324 PolarHBondContact O-N 3.46Å; L320-C324 PolarHBondContact O-SG 3.5Å; L320-E337 HydrophobicContact CD1-CB 4.47Å; L320-V341 HydrophobicContact CB-CG2 4.21Å; L320-V341 HydrophobicContact CD2-CG2 3.69Å; L320-V341 HydrophobicContact CG-CG2 3.87Å
321K86.6Confident85.9Confident47 Ų4786 Ų8620%0.20441%0.412CS..Hα-helixtrans-55.8-49.8173.7-151.2171.3-173.5160.30110.7M317 Q318 C324 V325 I338 V341 D346M317-K321 PolarHBondContact O-N 2.82Å; Q318-K321 WeakPolarHBondContact O-CA 3.36Å; Q318-K321 VanDerWaalsContact O-CB 3.25Å; Q318-K321 WeakPolarHBondContact O-CB 3.39Å; Q318-K321 PolarHBondContact O-N 3.07Å; K321-C324 PolarHBondContact O-N 2.86Å; K321-V325 WeakPolarHBondContact O-CG2 3.46Å; K321-V325 PolarHBondContact O-N 2.89Å; K321-V325 VanDerWaalsContact O-N 3.13Å; K321-I338 HydrophobicContact CG-CD1 4.07Å; K321-V341 HydrophobicContact CB-CG1 3.57Å; K321-V341 HydrophobicContact CD-CG1 4.02Å; K321-V341 HydrophobicContact CG-CG1 3.77Å; K321-D346 IonicContact NZ-OD2 2.66Å
322D87.2Confident84.7Confident92 Ų9280.6 Ų80.649%0.49239%0.389SS..Hα-helixtrans-69.4-39.8-174.3-61.9-32.6000111.3Q318 E319 L320 V325 E326Q318-D322 VanDerWaalsContact NE2-CG 3.25Å; Q318-D322 PolarHBondContact NE2-OD1 2.72Å; Q318-D322 PolarHBondContact NE2-OD2 2.91Å; Q318-D322 PolarHBondContact O-N 3.08Å; E319-D322 PolarHBondContact O-N 3.42Å; L320-D322 VanDerWaalsContact C-N 3.33Å; L320-D322 PolarHBondContact O-N 3.02Å; D322-V325 PolarHBondContact O-N 3.08Å; D322-E326 PolarHBondContact O-N 3.06Å
323V87.6Confident83.8Confident79 Ų7981 Ų8148%0.47940%0.397SS..Hα-helixtrans-64.9-42.7173.7170.30000112E319 L320 V325 E326 E327E319-V323 WeakPolarHBondContact O-CG2 3.28Å; E319-V323 PolarHBondContact O-N 2.9Å; L320-V323 PolarHBondContact O-N 3.42Å; V323-V325 VanDerWaalsContact C-N 3.27Å; V323-V325 PolarHBondContact O-N 2.9Å; V323-E326 PolarHBondContact O-N 3.35Å; V323-E327 WeakPolarHBondContact O-CB 3.39Å; V323-E327 PolarHBondContact O-N 3.2Å
324C85.4Confident83.2Confident4 Ų477.8 Ų77.83%0.02738%0.38CS..Hα-helixtrans-62-36.7177.3-68.70000111.9L320 K321 G328 P335 I338L320-C324 WeakPolarHBondContact O-CB 3.47Å; L320-C324 PolarHBondContact O-N 3.46Å; L320-C324 PolarHBondContact O-SG 3.5Å; K321-C324 PolarHBondContact O-N 2.86Å; C324-G328 PolarHBondContact O-N 3.11Å; C324-P335 HydrophobicContact CB-CB 4.45Å; C324-P335 HydrophobicContact CB-CG 4.35Å; C324-P335 VanDerWaalsContact O-CD 3.31Å; C324-P335 WeakPolarHBondContact O-CD 3.4Å; C324-I338 HydrophobicContact CB-CB 4.27Å; C324-I338 HydrophobicContact CB-CD1 3.85Å
325V83.9Confident82.8Confident34 Ų3469.8 Ų69.821%0.20635%0.352CS..Hα-helixtrans-71.4-39.9175.6173.70000111.8K321 D322 V323 G328 D329 P349K321-V325 WeakPolarHBondContact O-CG2 3.46Å; K321-V325 PolarHBondContact O-N 2.89Å; K321-V325 VanDerWaalsContact O-N 3.13Å; D322-V325 PolarHBondContact O-N 3.08Å; V323-V325 VanDerWaalsContact C-N 3.27Å; V323-V325 PolarHBondContact O-N 2.9Å; V325-G328 PolarHBondContact O-N 3.12Å; V325-D329 WeakPolarHBondContact O-CB 3.31Å; V325-D329 PolarHBondContact O-N 3.22Å; V325-P349 HydrophobicContact CG2-CB 3.57Å; V325-P349 HydrophobicContact CG2-CG 3.92Å
326E82.1Confident82.1Confident129 Ų12969.4 Ų69.460%0.60336%0.357SS*.Hα-helixtrans-64.8-44.4174.7-176.3171.9-167.100111.7D322 V323 D329 I330D322-E326 PolarHBondContact O-N 3.06Å; V323-E326 PolarHBondContact O-N 3.35Å; E326-D329 PolarHBondContact O-N 3.25Å; E326-I330 HydrophobicContact CG-CD1 4.03Å; E326-I330 WeakPolarHBondContact O-CD1 3.4Å; E326-I330 VanDerWaalsContact O-CG1 3.3Å; E326-I330 WeakPolarHBondContact O-CG1 3.43Å; E326-I330 PolarHBondContact O-N 3.18Å; E326-I330 VanDerWaalsContact O-N 3.12Å
327E83.4Confident81.6Confident102 Ų10268.7 Ų68.748%0.47736%0.356SS..Hα-helixtrans-62.5-43.6175.7-177.4162.9-163.400111.2V323 D329 I330 T331 P335V323-E327 WeakPolarHBondContact O-CB 3.39Å; V323-E327 PolarHBondContact O-N 3.2Å; E327-D329 PolarHBondContact O-N 3.13Å; E327-I330 WeakPolarHBondContact O-CB 3.4Å; E327-I330 PolarHBondContact O-N 3.42Å; E327-I330 VanDerWaalsContact O-N 3.07Å; E327-T331 HydrophobicContact CG-CG2 3.99Å; E327-T331 WeakPolarHBondContact O-CG2 3.36Å; E327-T331 PolarHBondContact O-N 2.96Å; E327-T331 PolarHBondContact O-OG1 2.95Å; E327-P335 HydrophobicContact CB-CG 3.97Å; E327-P335 HydrophobicContact CG-CG 3.91Å
328G81.9Confident81.3Confident0 Ų065.7 Ų65.70%034%0.341CS..Hα-helixtrans-64.5-34.1174.400000114.5C324 V325 I330 G332 E333C324-G328 PolarHBondContact O-N 3.11Å; V325-G328 PolarHBondContact O-N 3.12Å; G328-I330 PolarHBondContact O-N 2.88Å; G328-G332 VanDerWaalsContact O-CA 3.24Å; G328-G332 WeakPolarHBondContact O-CA 3.03Å; G328-G332 PolarHBondContact O-N 3.35Å; G328-E333 WeakPolarHBondContact CA-O 3.46Å
329D79.9Confident80.7Confident31 Ų3166.2 Ų66.217%0.16635%0.346CS..Hα-helixtrans-67.1-25.1172.6-909.9000111.5V325 E326 E327 L351 K352V325-D329 WeakPolarHBondContact O-CB 3.31Å; V325-D329 PolarHBondContact O-N 3.22Å; E326-D329 PolarHBondContact O-N 3.25Å; E327-D329 PolarHBondContact O-N 3.13Å; D329-L351 WeakPolarHBondContact OD1-CA 3.13Å; D329-K352 PolarHBondContact OD1-N 2.94Å; D329-K352 IonicContact OD2-NZ 3.19Å; D329-K352 PolarHBondContact OD2-NZ 2.88Å
330I73.6Confident79.9Confident124 Ų12468.5 Ų68.564%0.63636%0.361SS*.Hα-helixtrans-88.2-49.1178.6-68.3165.7000112.3E326 E327 G328E326-I330 HydrophobicContact CG-CD1 4.03Å; E326-I330 WeakPolarHBondContact O-CD1 3.4Å; E326-I330 VanDerWaalsContact O-CG1 3.3Å; E326-I330 WeakPolarHBondContact O-CG1 3.43Å; E326-I330 PolarHBondContact O-N 3.18Å; E326-I330 VanDerWaalsContact O-N 3.12Å; E327-I330 WeakPolarHBondContact O-CB 3.4Å; E327-I330 PolarHBondContact O-N 3.42Å; E327-I330 VanDerWaalsContact O-N 3.07Å; G328-I330 PolarHBondContact O-N 2.88Å
331T71.4Confident79.3Confident85 Ų8566.5 Ų66.552%0.52135%0.351SS..Hα-helixtrans-81.3-32.5-176.661.20000112.3E327 E333E327-T331 HydrophobicContact CG-CG2 3.99Å; E327-T331 WeakPolarHBondContact O-CG2 3.36Å; E327-T331 PolarHBondContact O-N 2.96Å; E327-T331 PolarHBondContact O-OG1 2.95Å; T331-E333 PolarHBondContact OG1-N 2.94Å; T331-E333 PolarHBondContact OG1-O 2.99Å
332G68Low78.5Confident13 Ų1365.3 Ų65.313%0.13435%0.348CS..SBendtrans89.5-3.2-173.600000114.8G328 R353G328-G332 VanDerWaalsContact O-CA 3.24Å; G328-G332 WeakPolarHBondContact O-CA 3.03Å; G328-G332 PolarHBondContact O-N 3.35Å; G332-R353 PolarHBondContact O-NH1 2.97Å
333E73.9Confident77.5Confident153 Ų15366.7 Ų66.772%0.71536%0.355SS*.SBendtrans-127.2141.2177.7-65.8-178.8178.200108.9G328 T331G328-E333 WeakPolarHBondContact CA-O 3.46Å; T331-E333 PolarHBondContact OG1-N 2.94Å; T331-E333 PolarHBondContact OG1-O 2.99Å
334M77.4Confident75.5Confident42 Ų4269.6 Ų69.621%0.20738%0.376CS..  trans-79.9130.8-174-168.870.880.100110.9I338 F348 P349 L351M334-I338 HydrophobicContact CG-CB 4.01Å; M334-I338 HydrophobicContact CG-CG1 4.24Å; M334-I338 HydrophobicContact CG-CG2 3.66Å; M334-I338 HydrophobicContact SD-CB 4.43Å; M334-I338 HydrophobicContact SD-CG1 4.22Å; M334-F348 HydrophobicContact CB-CE1 4.14Å; M334-F348 HydrophobicContact CB-CZ 4.45Å; M334-F348 HydrophobicContact CE-CD1 4.18Å; M334-F348 HydrophobicContact CE-CE1 3.75Å; M334-F348 HydrophobicContact CG-CE1 3.81Å; M334-F348 HydrophobicContact CG-CZ 3.97Å; M334-P349 HydrophobicContact CE-CB 3.86Å; M334-P349 HydrophobicContact CE-CG 4.39Å; M334-P349 WeakPolarHBondContact CE-O 3.5Å; M334-L351 HydrophobicContact CB-CD1 4.27Å; M334-L351 HydrophobicContact CE-CD1 4.42Å; M334-L351 HydrophobicContact CE-CD2 3.42Å; M334-L351 VanDerWaalsContact CE-CD2 3.42Å; M334-L351 HydrophobicContact CE-CG 3.87Å; M334-L351 HydrophobicContact SD-CD2 3.87Å
335P80.5Confident74.1Confident17 Ų1773.3 Ų73.311%0.1142%0.415CS..  trans-56.3149.1171.2-25.836000112.5C324 E327 E337 I338C324-P335 HydrophobicContact CB-CB 4.45Å; C324-P335 HydrophobicContact CB-CG 4.35Å; C324-P335 VanDerWaalsContact O-CD 3.31Å; C324-P335 WeakPolarHBondContact O-CD 3.4Å; E327-P335 HydrophobicContact CB-CG 3.97Å; E327-P335 HydrophobicContact CG-CG 3.91Å; P335-E337 VanDerWaalsContact C-N 3.25Å; P335-E337 WeakPolarHBondContact CB-OE2 3.38Å; P335-E337 PolarHBondContact O-N 3.31Å; P335-I338 WeakPolarHBondContact O-CG2 3.48Å; P335-I338 PolarHBondContact O-N 3.47Å
336V77.9Confident73.2Confident107 Ų10775.2 Ų75.265%0.64842%0.424SS*.G310 helixtrans-72.5-23.9-176.2-64.80000112.3I338 N339V336-I338 PolarHBondContact O-N 2.84Å; V336-N339 WeakPolarHBondContact O-CB 3.31Å; V336-N339 PolarHBondContact O-N 3.35Å; V336-N339 VanDerWaalsContact O-N 3.17Å; V336-N339 PolarHBondContact O-ND2 2.98Å
337E82.1Confident71.9Confident90 Ų9075 Ų7542%0.42143%0.426SS..G310 helixtrans-61.2-20.4177.7-6676.4-174.300112.7L320 P335 N339 D340L320-E337 HydrophobicContact CD1-CB 4.47Å; P335-E337 VanDerWaalsContact C-N 3.25Å; P335-E337 WeakPolarHBondContact CB-OE2 3.38Å; P335-E337 PolarHBondContact O-N 3.31Å; E337-N339 PolarHBondContact O-N 3.46Å; E337-D340 PolarHBondContact O-N 3.45Å
338I80Confident70.6Confident1 Ų174.6 Ų74.61%0.00542%0.423CS..G310 helixtrans-59.5-29.7174.5-162.760.7000112.3K321 C324 M334 P335 V336 D340 V341 V342 F348 P349K321-I338 HydrophobicContact CG-CD1 4.07Å; C324-I338 HydrophobicContact CB-CB 4.27Å; C324-I338 HydrophobicContact CB-CD1 3.85Å; M334-I338 HydrophobicContact CG-CB 4.01Å; M334-I338 HydrophobicContact CG-CG1 4.24Å; M334-I338 HydrophobicContact CG-CG2 3.66Å; M334-I338 HydrophobicContact SD-CB 4.43Å; M334-I338 HydrophobicContact SD-CG1 4.22Å; P335-I338 WeakPolarHBondContact O-CG2 3.48Å; P335-I338 PolarHBondContact O-N 3.47Å; V336-I338 PolarHBondContact O-N 2.84Å; I338-D340 VanDerWaalsContact C-N 3.27Å; I338-D340 PolarHBondContact O-N 2.85Å; I338-V341 PolarHBondContact O-N 3.08Å; I338-V341 VanDerWaalsContact O-N 3.08Å; I338-V342 HydrophobicContact CD1-CG2 4.06Å; I338-V342 HydrophobicContact CG1-CG2 3.81Å; I338-V342 WeakPolarHBondContact O-CG2 3.13Å; I338-V342 PolarHBondContact O-N 2.9Å; I338-F348 HydrophobicContact CG2-CE2 3.98Å; I338-F348 HydrophobicContact CG2-CZ 3.62Å; I338-P349 HydrophobicContact CD1-CG 4.28Å
339N73.7Confident69.9Low102 Ų10276 Ų7655%0.54543%0.433SS..G310 helixtrans-73.1-19.9-176.1-60-72.3000112.5V336 E337 V341V336-N339 WeakPolarHBondContact O-CB 3.31Å; V336-N339 PolarHBondContact O-N 3.35Å; V336-N339 VanDerWaalsContact O-N 3.17Å; V336-N339 PolarHBondContact O-ND2 2.98Å; E337-N339 PolarHBondContact O-N 3.46Å; N339-V341 VanDerWaalsContact C-N 3.25Å
340D74.7Confident69Low125 Ų12583.8 Ų83.867%0.66846%0.46SS*.G310 helixtrans-78.9-12.1172.1-64.6-40.1000112.1M317 E337 I338M317-D340 WeakPolarHBondContact CE-O 3.32Å; E337-D340 PolarHBondContact O-N 3.45Å; I338-D340 VanDerWaalsContact C-N 3.27Å; I338-D340 PolarHBondContact O-N 2.85Å
341V74.9Confident68.7Low19 Ų1980 Ų8012%0.11544%0.44CS..THydrogen-bonded Turntrans-118.4-24.8-168-170.10000113.3M317 L320 K321 I338 N339M317-V341 HydrophobicContact CB-CG1 4.46Å; M317-V341 HydrophobicContact CE-CB 4.39Å; M317-V341 HydrophobicContact CE-CG2 3.86Å; M317-V341 WeakPolarHBondContact O-CG1 3.46Å; L320-V341 HydrophobicContact CB-CG2 4.21Å; L320-V341 HydrophobicContact CD2-CG2 3.69Å; L320-V341 HydrophobicContact CG-CG2 3.87Å; K321-V341 HydrophobicContact CB-CG1 3.57Å; K321-V341 HydrophobicContact CD-CG1 4.02Å; K321-V341 HydrophobicContact CG-CG1 3.77Å; I338-V341 PolarHBondContact O-N 3.08Å; I338-V341 VanDerWaalsContact O-N 3.08Å; N339-V341 VanDerWaalsContact C-N 3.25Å
342V69.8Low68.3Low22 Ų2281.9 Ų81.913%0.13344%0.441CS..SBendtrans-88.9122.2174.3173.50000108.7I338 D346I338-V342 HydrophobicContact CD1-CG2 4.06Å; I338-V342 HydrophobicContact CG1-CG2 3.81Å; I338-V342 WeakPolarHBondContact O-CG2 3.13Å; I338-V342 PolarHBondContact O-N 2.9Å; V342-D346 HydrophobicContact CG1-CB 3.66Å
343L64.9Low68Low121 Ų12188.8 Ų88.863%0.63446%0.463SS*.  trans-68.4148.9179.1-71.2164.1000110.6G345 D346L343-G345 PolarHBondContact O-N 3.19Å; L343-D346 PolarHBondContact N-OD2 3.4Å; L343-D346 PolarHBondContact O-N 3.29Å
344P46Very low67.3Low141 Ų14192 Ų9292%0.91647%0.469SS*.THydrogen-bonded Turntrans-61.394.4175.6-24.535.4000112.2
345G55.8Low66.2Low82 Ų8292.8 Ų92.885%0.84548%0.476SS*.THydrogen-bonded Turntrans128.6-11.1-175.100000115.2L343L343-G345 PolarHBondContact O-N 3.19Å
346D65.4Low65.1Low74 Ų7494.9 Ų94.940%0.39650%0.501SS..PPolyproline II helixtrans-73145175.4-88.2-5.4000112.3K321 V342 L343 F348K321-D346 IonicContact NZ-OD2 2.66Å; V342-D346 HydrophobicContact CG1-CB 3.66Å; L343-D346 PolarHBondContact N-OD2 3.4Å; L343-D346 PolarHBondContact O-N 3.29Å; D346-F348 PolarHBondContact O-N 3.03Å
347D55Low63.8Low123 Ų12394.3 Ų94.366%0.65850%0.498SS*.PPolyproline II helixtrans-68.8122.7179.6-145.532000111.1R350D347-R350 IonicContact OD2-CZ 2.7Å; D347-R350 IonicContact OD2-NH1 3.25Å; D347-R350 IonicContact OD2-NH2 3.23Å; D347-R350 PolarHBondContact OD2-NH2 3.45Å
348F56.8Low62.3Low95 Ų9595 Ų9542%0.41752%0.518SS..PPolyproline II helixtrans-69.8135.1-170.2-155.2-92.1000112.2M334 I338 D346 R350M334-F348 HydrophobicContact CB-CE1 4.14Å; M334-F348 HydrophobicContact CB-CZ 4.45Å; M334-F348 HydrophobicContact CE-CD1 4.18Å; M334-F348 HydrophobicContact CE-CE1 3.75Å; M334-F348 HydrophobicContact CG-CE1 3.81Å; M334-F348 HydrophobicContact CG-CZ 3.97Å; I338-F348 HydrophobicContact CG2-CE2 3.98Å; I338-F348 HydrophobicContact CG2-CZ 3.62Å; D346-F348 PolarHBondContact O-N 3.03Å; F348-R350 PolarHBondContact O-N 3.23Å
349P65.8Low61.2Low30 Ų30100.3 Ų100.320%0.19554%0.539CS..PPolyproline II helixtrans-62.7131-175.4-23.133.5000113.6V325 M334 I338V325-P349 HydrophobicContact CG2-CB 3.57Å; V325-P349 HydrophobicContact CG2-CG 3.92Å; M334-P349 HydrophobicContact CE-CB 3.86Å; M334-P349 HydrophobicContact CE-CG 4.39Å; M334-P349 WeakPolarHBondContact CE-O 3.5Å; I338-P349 HydrophobicContact CD1-CG 4.28Å
350R60.9Low60.2Low194 Ų194100.4 Ų100.473%0.73255%0.548SS*.  trans-90.5109.6-175.1-71.9179-99.9-96.7-7.3111.8D347 F348D347-R350 IonicContact OD2-CZ 2.7Å; D347-R350 IonicContact OD2-NH1 3.25Å; D347-R350 IonicContact OD2-NH2 3.23Å; D347-R350 PolarHBondContact OD2-NH2 3.45Å; F348-R350 PolarHBondContact O-N 3.23Å
351L67.9Low59.4Low43 Ų4397.7 Ų97.723%0.22553%0.533CS..  trans-67.7130-176.6-60.3-177.6000114D329 M334 R353D329-L351 WeakPolarHBondContact OD1-CA 3.13Å; M334-L351 HydrophobicContact CB-CD1 4.27Å; M334-L351 HydrophobicContact CE-CD1 4.42Å; M334-L351 HydrophobicContact CE-CD2 3.42Å; M334-L351 VanDerWaalsContact CE-CD2 3.42Å; M334-L351 HydrophobicContact CE-CG 3.87Å; M334-L351 HydrophobicContact SD-CD2 3.87Å; L351-R353 HydrophobicContact CB-CG 4.44Å; L351-R353 PolarHBondContact O-N 3.49Å
352K62Low58.8Low125 Ų12598.6 Ų98.654%0.54354%0.539SS..  trans-83.355.1176.7-53.5-171.1-156.883.40112.2D329 R354 N399D329-K352 PolarHBondContact OD1-N 2.94Å; D329-K352 IonicContact OD2-NZ 3.19Å; D329-K352 PolarHBondContact OD2-NZ 2.88Å; K352-R354 PolarHBondContact O-N 3.35Å; K352-R354 VanDerWaalsContact O-N 3.08Å; K352-N399 PolarHBondContact O-ND2 3.03Å
353R63.2Low58.2Low158 Ų158102.5 Ų102.560%0.59656%0.559SS**  trans-38.6114-177.3-69.6175.463.890.9-7.4112.6G332 L351 N399G332-R353 PolarHBondContact O-NH1 2.97Å; L351-R353 HydrophobicContact CB-CG 4.44Å; L351-R353 PolarHBondContact O-N 3.49Å; R353-N399 PolarHBondContact O-ND2 2.64Å
354R59.4Low57.9Low220 Ų220104.3 Ų104.383%0.8356%0.564SS**  trans-76.2120.6170.2-76.8-177.5164.9-140.11109.9K352 G356K352-R354 PolarHBondContact O-N 3.35Å; K352-R354 VanDerWaalsContact O-N 3.08Å; R354-G356 PolarHBondContact O-N 3.19Å
355V54.4Low58.5Low60 Ų6099.7 Ų99.736%0.36453%0.532SS..  trans-73.790.7172.3-174.80000109.3
356G55.8Low58.7Low61 Ų61101.5 Ų101.563%0.62952%0.521SS*.  trans-67.2151.8179.100000113.5R354 A358R354-G356 PolarHBondContact O-N 3.19Å; G356-A358 VanDerWaalsContact C-N 3.34Å; G356-A358 PolarHBondContact O-N 3.22Å
357T52.3Low58.4Low95 Ų95105.4 Ų105.458%0.58353%0.534SS*.  trans-95.123.1-175.664.10000113.7Y359 L394T357-Y359 WeakPolarHBondContact O-CD1 3.25Å; T357-Y359 PolarHBondContact O-N 2.79Å; T357-L394 HydrophobicContact CG2-CD1 3.72Å; T357-L394 HydrophobicContact CG2-CD2 3.92Å; T357-L394 HydrophobicContact CG2-CG 4.37Å
358A50.3Low58.4Low103 Ų103100.8 Ų100.885%0.85151%0.513SS*.  trans-75.312318000000110.3G356G356-A358 VanDerWaalsContact C-N 3.34Å; G356-A358 PolarHBondContact O-N 3.22Å
359Y57Low58.3Low113 Ų113103 Ų10344%0.44353%0.529SS..  trans-131.7135.3168.455.6-88.1000108.9T357 I361 L383T357-Y359 WeakPolarHBondContact O-CD1 3.25Å; T357-Y359 PolarHBondContact O-N 2.79Å; Y359-I361 HydrophobicContact CD2-CG1 3.92Å; Y359-I361 HydrophobicContact CE2-CD1 4.03Å; Y359-I361 HydrophobicContact CE2-CG1 3.77Å; Y359-L383 HydrophobicContact CE2-CD1 4.39Å
360S51.1Low57.9Low105 Ų105110.6 Ų110.673%0.73456%0.559SS**PPolyproline II helixtrans-75.9129.7169.8-1720000109.1
361I59.6Low57.9Low67 Ų67105.5 Ų105.534%0.34456%0.559SS.*PPolyproline II helixtrans-91.5119.3168.6-59.2176.3000106.1Y359 D363 L365 I366 L383Y359-I361 HydrophobicContact CD2-CG1 3.92Å; Y359-I361 HydrophobicContact CE2-CD1 4.03Å; Y359-I361 HydrophobicContact CE2-CG1 3.77Å; I361-D363 PolarHBondContact O-N 3.23Å; I361-L365 HydrophobicContact CG2-CB 4.24Å; I361-L365 HydrophobicContact CG2-CD1 4.06Å; I361-I366 HydrophobicContact CG2-CG1 4.4Å; I361-L383 HydrophobicContact CD1-CD1 4.08Å; I361-L383 HydrophobicContact CG1-CD1 4.28Å
362P62Low58.4Low39 Ų39108.8 Ų108.825%0.25358%0.577SS.*PPolyproline II helixtrans-54.1132.5174.4-27.833.5000112.3E364 L365 R386P362-E364 PolarHBondContact O-N 3.17Å; P362-L365 HydrophobicContact CG-CD1 4.41Å; P362-L365 WeakPolarHBondContact O-CB 3.38Å; P362-L365 PolarHBondContact O-N 3.19Å; P362-R386 VanDerWaalsContact CG-NH1 3.35Å
363D57.1Low59.3Low104 Ų104110.1 Ų110.156%0.55658%0.582SS**G310 helixtrans-58.8-19.2179.2-69.8-32.2000113.4I361 L365 I366 K367I361-D363 PolarHBondContact O-N 3.23Å; D363-L365 VanDerWaalsContact C-N 3.34Å; D363-I366 PolarHBondContact O-N 3.42Å; D363-I366 VanDerWaalsContact O-N 3.16Å; D363-K367 WeakPolarHBondContact O-CD 3.33Å; D363-K367 VanDerWaalsContact O-CG 3.29Å; D363-K367 WeakPolarHBondContact O-CG 3.47Å; D363-K367 PolarHBondContact O-N 3.39Å
364E59Low60.2Low159 Ų159105.6 Ų105.674%0.74357%0.569SS**G310 helixtrans-61.8-39.6173.8-64.2173.3162.600111.7P362 I366 K367P362-E364 PolarHBondContact O-N 3.17Å; E364-I366 PolarHBondContact O-N 3.21Å; E364-K367 PolarHBondContact O-N 3.01Å
365L58.1Low61.3Low43 Ų4397.2 Ų97.223%0.22554%0.544CS..G310 helixtrans-69.5-15.6175.6-64167.6000112.7I361 P362 D363 T379I361-L365 HydrophobicContact CG2-CB 4.24Å; I361-L365 HydrophobicContact CG2-CD1 4.06Å; P362-L365 HydrophobicContact CG-CD1 4.41Å; P362-L365 WeakPolarHBondContact O-CB 3.38Å; P362-L365 PolarHBondContact O-N 3.19Å; D363-L365 VanDerWaalsContact C-N 3.34Å; L365-T379 HydrophobicContact CD2-CG2 3.76Å
366I59.9Low62.7Low120 Ų12097.7 Ų97.762%0.61554%0.542SS*.G310 helixtrans-93.3-17.7179.5-54178.9000110.9I361 D363 E364I361-I366 HydrophobicContact CG2-CG1 4.4Å; D363-I366 PolarHBondContact O-N 3.42Å; D363-I366 VanDerWaalsContact O-N 3.16Å; E364-I366 PolarHBondContact O-N 3.21Å
367K58.4Low64.2Low156 Ų15696.2 Ų96.268%0.67852%0.52SS*.SBendtrans-1011.9-176.1-69.7166.8-172.2166.80114.4D363 E364 D369D363-K367 WeakPolarHBondContact O-CD 3.33Å; D363-K367 VanDerWaalsContact O-CG 3.29Å; D363-K367 WeakPolarHBondContact O-CG 3.47Å; D363-K367 PolarHBondContact O-N 3.39Å; E364-K367 PolarHBondContact O-N 3.01Å; K367-D369 PolarHBondContact O-N 3.27Å
368A55.4Low65.9Low26 Ų2695.1 Ų95.122%0.21551%0.508CS..  trans-62.1122.817500000110.5K370 T379A368-K370 PolarHBondContact O-N 3.12Å; A368-T379 HydrophobicContact CB-CG2 4.02Å
369D54.7Low67.5Low141 Ų14191.1 Ų91.175%0.75447%0.473SS*.  trans-65.4124.5176.7-88.2-49.4000110.2K367 A371 D372K367-D369 PolarHBondContact O-N 3.27Å; D369-A371 PolarHBondContact O-N 2.8Å; D369-D372 PolarHBondContact O-N 3.13Å
370K57.8Low69Low190 Ų19088.1 Ų88.183%0.82646%0.464SS*.THydrogen-bonded Turntrans-69.36.7-172.8-62.1178.1-177.9173.50114.5A368A368-K370 PolarHBondContact O-N 3.12Å
371A60.6Low70.9Confident88 Ų8883.2 Ų83.273%0.72743%0.43SS*.THydrogen-bonded Turntrans-72-43.2172.400000111.4D369 K373D369-A371 PolarHBondContact O-N 2.8Å; A371-K373 PolarHBondContact O-N 2.96Å
372D78.4Confident72.4Confident112 Ų11282.6 Ų82.660%0.59943%0.426SS*.  trans-90.293.7-170.7-78.1-22.7000112.6D369 M374 S375 Q376D369-D372 PolarHBondContact O-N 3.13Å; D372-M374 PolarHBondContact O-N 2.9Å; D372-M374 VanDerWaalsContact O-N 3.08Å; D372-S375 WeakPolarHBondContact O-CB 3.16Å; D372-S375 PolarHBondContact O-N 3.28Å; D372-Q376 PolarHBondContact O-N 3.43Å
373K81.9Confident73.6Confident153 Ų15382.9 Ų82.967%0.66543%0.425SS*.Hα-helixtrans-54.7-27176.5-171.4176-179.8-1780113.9A371 L377A371-K373 PolarHBondContact O-N 2.96Å; K373-L377 PolarHBondContact O-N 2.86Å
374M82.1Confident75.3Confident62 Ų6278.6 Ų78.631%0.30540%0.401SS..Hα-helixtrans-72.6-48.1173.2-165.5-176.6-59.700111.2D372 Q376 L377 E378 L426 R430 A433D372-M374 PolarHBondContact O-N 2.9Å; D372-M374 VanDerWaalsContact O-N 3.08Å; M374-Q376 VanDerWaalsContact C-N 3.35Å; M374-Q376 PolarHBondContact O-N 2.71Å; M374-L377 PolarHBondContact O-N 2.9Å; M374-L377 VanDerWaalsContact O-N 3.14Å; M374-E378 PolarHBondContact O-N 2.9Å; M374-E378 VanDerWaalsContact O-N 3.13Å; M374-L426 HydrophobicContact CG-CD1 4.32Å; M374-R430 HydrophobicContact SD-CG 4.22Å; M374-A433 HydrophobicContact CE-CB 3.63Å
375S81.3Confident76.9Confident44 Ų4476.2 Ų76.231%0.30839%0.386SS..Hα-helixtrans-59.5-43.5177.1-172.30000111.7D372 L377 E378 T379D372-S375 WeakPolarHBondContact O-CB 3.16Å; D372-S375 PolarHBondContact O-N 3.28Å; S375-L377 VanDerWaalsContact C-N 3.3Å; S375-L377 PolarHBondContact O-N 3.47Å; S375-E378 WeakPolarHBondContact O-CB 3.5Å; S375-E378 PolarHBondContact O-N 3.07Å; S375-T379 WeakPolarHBondContact O-CG2 3.47Å; S375-T379 PolarHBondContact O-N 3.4Å
376Q84.6Confident78.4Confident70 Ų7078.7 Ų78.733%0.32739%0.392SS..Hα-helixtrans-55.4-43.8175-17763.766.200112.1D372 M374 E378 T379 D380D372-Q376 PolarHBondContact O-N 3.43Å; M374-Q376 VanDerWaalsContact C-N 3.35Å; M374-Q376 PolarHBondContact O-N 2.71Å; Q376-E378 VanDerWaalsContact C-N 3.33Å; Q376-E378 PolarHBondContact O-N 3.02Å; Q376-T379 PolarHBondContact NE2-OG1 3.34Å; Q376-T379 PolarHBondContact O-N 3.05Å; Q376-T379 PolarHBondContact O-OG1 3.16Å; Q376-D380 PolarHBondContact NE2-OD1 3.49Å; Q376-D380 WeakPolarHBondContact O-CB 3.45Å; Q376-D380 PolarHBondContact O-N 2.89Å
377L86.4Confident79.8Confident31 Ų3175.3 Ų75.316%0.16238%0.375CS..Hα-helixtrans-66.2-33.4177.1-75.3168.5000112.7K373 M374 S375 D380 V381 L422 L426 M429K373-L377 PolarHBondContact O-N 2.86Å; M374-L377 PolarHBondContact O-N 2.9Å; M374-L377 VanDerWaalsContact O-N 3.14Å; S375-L377 VanDerWaalsContact C-N 3.3Å; S375-L377 PolarHBondContact O-N 3.47Å; L377-D380 PolarHBondContact O-N 3.26Å; L377-V381 WeakPolarHBondContact O-CB 3.17Å; L377-V381 VanDerWaalsContact O-CG2 3.26Å; L377-V381 WeakPolarHBondContact O-CG2 3.33Å; L377-V381 PolarHBondContact O-N 3.12Å; L377-L422 HydrophobicContact CD2-CD2 4.34Å; L377-L426 HydrophobicContact CB-CD1 4.22Å; L377-M429 HydrophobicContact CD1-CB 4.47Å; L377-M429 HydrophobicContact CD1-CG 3.7Å
378E87.3Confident81.5Confident72 Ų7268.9 Ų68.934%0.33635%0.348SS..Hα-helixtrans-67.5-42174-65-176.3157.300111.6M374 S375 Q376 V381 E382 L426 R430M374-E378 PolarHBondContact O-N 2.9Å; M374-E378 VanDerWaalsContact O-N 3.13Å; S375-E378 WeakPolarHBondContact O-CB 3.5Å; S375-E378 PolarHBondContact O-N 3.07Å; Q376-E378 VanDerWaalsContact C-N 3.33Å; Q376-E378 PolarHBondContact O-N 3.02Å; E378-V381 PolarHBondContact O-N 3.44Å; E378-E382 PolarHBondContact O-N 2.85Å; E378-E382 VanDerWaalsContact O-N 3.1Å; E378-L426 HydrophobicContact CG-CD1 3.39Å; E378-L426 HydrophobicContact CG-CD2 3.89Å; E378-L426 HydrophobicContact CG-CG 4.29Å; E378-R430 IonicContact OE1-CZ 3.41Å; E378-R430 IonicContact OE1-NE 3.34Å; E378-R430 PolarHBondContact OE1-NE 3.02Å; E378-R430 IonicContact OE1-NH2 2.66Å; E378-R430 PolarHBondContact OE1-NH2 3.15Å
379T86Confident83.2Confident19 Ų1970.3 Ų70.312%0.11736%0.361CS..Hα-helixtrans-64.5-40.2173.768.20000112.5L365 A368 S375 Q376 E382 L383L365-T379 HydrophobicContact CD2-CG2 3.76Å; A368-T379 HydrophobicContact CB-CG2 4.02Å; S375-T379 WeakPolarHBondContact O-CG2 3.47Å; S375-T379 PolarHBondContact O-N 3.4Å; Q376-T379 PolarHBondContact NE2-OG1 3.34Å; Q376-T379 PolarHBondContact O-N 3.05Å; Q376-T379 PolarHBondContact O-OG1 3.16Å; T379-E382 PolarHBondContact O-N 2.93Å; T379-L383 WeakPolarHBondContact O-CB 3.29Å; T379-L383 PolarHBondContact O-N 2.81Å
380D87.1Confident84.7Confident49 Ų4965 Ų6526%0.26234%0.336SS..Hα-helixtrans-66.4-41.6178.3-80.71000111.4Q376 L377 H384 L422Q376-D380 PolarHBondContact NE2-OD1 3.49Å; Q376-D380 WeakPolarHBondContact O-CB 3.45Å; Q376-D380 PolarHBondContact O-N 2.89Å; L377-D380 PolarHBondContact O-N 3.26Å; D380-H384 WeakPolarHBondContact O-CB 3.09Å; D380-H384 PolarHBondContact O-N 3.31Å; D380-H384 PolarHBondContact O-ND1 3.42Å; D380-L422 HydrophobicContact CB-CD1 4.36Å; D380-L422 HydrophobicContact CB-CD2 4.3Å
381V92.1Very high86.2Confident2 Ų256.6 Ų56.61%0.01230%0.302CS..Hα-helixtrans-60-51.4175.1161.40000110.7L377 E378 L383 H384 R385 L419 L422 E423 L426L377-V381 WeakPolarHBondContact O-CB 3.17Å; L377-V381 VanDerWaalsContact O-CG2 3.26Å; L377-V381 WeakPolarHBondContact O-CG2 3.33Å; L377-V381 PolarHBondContact O-N 3.12Å; E378-V381 PolarHBondContact O-N 3.44Å; V381-L383 PolarHBondContact O-N 3.27Å; V381-H384 PolarHBondContact O-N 2.95Å; V381-H384 VanDerWaalsContact O-N 3.07Å; V381-R385 VanDerWaalsContact CG1-CZ 3.41Å; V381-R385 VanDerWaalsContact CG1-NH2 3.3Å; V381-R385 PolarHBondContact O-N 3.43Å; V381-L419 HydrophobicContact CG1-CD1 4.19Å; V381-L422 HydrophobicContact CG2-CB 3.64Å; V381-E423 HydrophobicContact CB-CG 4.4Å; V381-E423 HydrophobicContact CG1-CG 3.61Å; V381-E423 HydrophobicContact CG2-CG 3.82Å; V381-L426 HydrophobicContact CG2-CB 4.46Å; V381-L426 HydrophobicContact CG2-CD2 4.27Å
382E89.4Confident87.7Confident54 Ų5454.2 Ų54.225%0.25228%0.28SS..Hα-helixtrans-65.3-38.4-177.8177.652.3-154.100112.2E378 T379 H384 R385 R386E378-E382 PolarHBondContact O-N 2.85Å; E378-E382 VanDerWaalsContact O-N 3.1Å; T379-E382 PolarHBondContact O-N 2.93Å; E382-H384 VanDerWaalsContact C-N 3.31Å; E382-H384 PolarHBondContact O-N 3.26Å; E382-R385 PolarHBondContact O-N 3.2Å; E382-R385 IonicContact OE2-NH1 3.58Å; E382-R385 PolarHBondContact OE2-NH1 3.33Å; E382-R386 PolarHBondContact O-N 3.11Å; E382-R386 IonicContact OE1-CZ 3.31Å; E382-R386 VanDerWaalsContact OE1-CZ 3.32Å; E382-R386 IonicContact OE1-NE 3.21Å; E382-R386 PolarHBondContact OE1-NE 3.25Å; E382-R386 IonicContact OE1-NH2 2.74Å; E382-R386 PolarHBondContact OE1-NH2 3.28Å
383L88.8Confident88.2Confident45 Ų4557.4 Ų57.424%0.23628%0.284CS..Hα-helixtrans-59-42.3170.5-17962.6000111.7Y359 I361 T379 V381 R386 I387Y359-L383 HydrophobicContact CE2-CD1 4.39Å; I361-L383 HydrophobicContact CD1-CD1 4.08Å; I361-L383 HydrophobicContact CG1-CD1 4.28Å; T379-L383 WeakPolarHBondContact O-CB 3.29Å; T379-L383 PolarHBondContact O-N 2.81Å; V381-L383 PolarHBondContact O-N 3.27Å; L383-R386 PolarHBondContact O-N 3.01Å; L383-I387 HydrophobicContact CG-CD1 4.17Å; L383-I387 WeakPolarHBondContact O-CG1 3.41Å; L383-I387 PolarHBondContact O-N 2.93Å; L383-I387 VanDerWaalsContact O-N 3.07Å
384H91.3Very high88.3Confident14 Ų1451.6 Ų51.67%0.06526%0.26CS..Hα-helixtrans-72.6-29.3179.7-76.677.6000113.7D380 V381 E382 R386 I387 V388 R418 L419 L422D380-H384 WeakPolarHBondContact O-CB 3.09Å; D380-H384 PolarHBondContact O-N 3.31Å; D380-H384 PolarHBondContact O-ND1 3.42Å; V381-H384 PolarHBondContact O-N 2.95Å; V381-H384 VanDerWaalsContact O-N 3.07Å; E382-H384 VanDerWaalsContact C-N 3.31Å; E382-H384 PolarHBondContact O-N 3.26Å; H384-R386 VanDerWaalsContact C-N 3.32Å; H384-R386 PolarHBondContact O-N 2.71Å; H384-I387 PolarHBondContact O-N 3.31Å; H384-V388 WeakPolarHBondContact O-CG2 3.47Å; H384-V388 PolarHBondContact O-N 3.04Å; H384-R418 WeakPolarHBondContact NE2-CD 3.26Å; H384-R418 PolarHBondContact NE2-NE 3.23Å; H384-L419 HydrophobicContact CB-CB 4.31Å; H384-L419 HydrophobicContact CB-CD1 4.05Å; H384-L422 HydrophobicContact CB-CD1 4.01Å; H384-L422 VanDerWaalsContact CG-CD1 3.46Å; H384-L422 VanDerWaalsContact ND1-CD1 3.27Å; H384-L422 WeakPolarHBondContact ND1-CD1 3.29Å
385R93.2Very high88.5Confident110 Ų11049.2 Ų49.242%0.41525%0.25SS..Hα-helixtrans-59.5-44169.1-68.7179.8-171141.5-3111.4V381 E382 V388 A389 L419 E423V381-R385 VanDerWaalsContact CG1-CZ 3.41Å; V381-R385 VanDerWaalsContact CG1-NH2 3.3Å; V381-R385 PolarHBondContact O-N 3.43Å; E382-R385 PolarHBondContact O-N 3.2Å; E382-R385 IonicContact OE2-NH1 3.58Å; E382-R385 PolarHBondContact OE2-NH1 3.33Å; R385-V388 PolarHBondContact O-N 3.22Å; R385-A389 PolarHBondContact O-N 3.4Å; R385-L419 HydrophobicContact CG-CD1 3.67Å; R385-L419 HydrophobicContact CG-CD2 3.88Å; R385-L419 HydrophobicContact CG-CG 4.44Å; R385-E423 IonicContact CZ-OE1 4Å; R385-E423 VanDerWaalsContact CZ-OE1 3.31Å; R385-E423 IonicContact NE-OE1 3.64Å; R385-E423 PolarHBondContact NE-OE1 2.62Å; R385-E423 IonicContact NH2-OE1 3.28Å; R385-E423 PolarHBondContact NH2-OE1 2.74Å
386R88.9Confident88.7Confident94 Ų9451.7 Ų51.736%0.35526%0.263SS..Hα-helixtrans-65.3-39.7177-64.3175.8-171.8-133.1-3.1112P362 E382 L383 H384 A389 A390P362-R386 VanDerWaalsContact CG-NH1 3.35Å; E382-R386 PolarHBondContact O-N 3.11Å; E382-R386 IonicContact OE1-CZ 3.31Å; E382-R386 VanDerWaalsContact OE1-CZ 3.32Å; E382-R386 IonicContact OE1-NE 3.21Å; E382-R386 PolarHBondContact OE1-NE 3.25Å; E382-R386 IonicContact OE1-NH2 2.74Å; E382-R386 PolarHBondContact OE1-NH2 3.28Å; L383-R386 PolarHBondContact O-N 3.01Å; H384-R386 VanDerWaalsContact C-N 3.32Å; H384-R386 PolarHBondContact O-N 2.71Å; R386-A389 PolarHBondContact O-N 2.99Å; R386-A390 WeakPolarHBondContact O-CB 3.49Å; R386-A390 PolarHBondContact O-N 3.32Å
387I90.5Very high88.7Confident49 Ų4949.2 Ų49.225%0.25125%0.252SS..Hα-helixtrans-62.4-43.4173.1-66.8166.2000111.2L383 H384 A390 A391 A415L383-I387 HydrophobicContact CG-CD1 4.17Å; L383-I387 WeakPolarHBondContact O-CG1 3.41Å; L383-I387 PolarHBondContact O-N 2.93Å; L383-I387 VanDerWaalsContact O-N 3.07Å; H384-I387 PolarHBondContact O-N 3.31Å; I387-A390 PolarHBondContact O-N 3.32Å; I387-A391 VanDerWaalsContact O-CB 3.3Å; I387-A391 WeakPolarHBondContact O-CB 3.4Å; I387-A391 PolarHBondContact O-N 3.01Å; I387-A415 HydrophobicContact CG2-CB 4.28Å
388V94.4Very high88.4Confident21 Ų2156.8 Ų56.813%0.12728%0.284CS..Hα-helixtrans-63.3-44.3176.2168.50000111.6H384 R385 A391 S392 L412 A415 R416 L419H384-V388 WeakPolarHBondContact O-CG2 3.47Å; H384-V388 PolarHBondContact O-N 3.04Å; R385-V388 PolarHBondContact O-N 3.22Å; V388-A391 PolarHBondContact O-N 3.24Å; V388-S392 WeakPolarHBondContact O-CB 3.47Å; V388-S392 PolarHBondContact O-N 3.39Å; V388-L412 HydrophobicContact CG1-CD1 4.27Å; V388-A415 VanDerWaalsContact CG2-C 3.47Å; V388-A415 HydrophobicContact CG2-CB 3.78Å; V388-A415 WeakPolarHBondContact CG2-O 3.48Å; V388-R416 HydrophobicContact CG1-CG 3.77Å; V388-R416 HydrophobicContact CG2-CG 4.23Å; V388-L419 HydrophobicContact CG2-CB 4.14Å; V388-L419 HydrophobicContact CG2-CD2 4.09Å
389A90.9Very high88Confident57 Ų5757.8 Ų57.847%0.47129%0.292SS..Hα-helixtrans-61.7-44.4176.900000112R385 R386 S392 R393R385-A389 PolarHBondContact O-N 3.4Å; R386-A389 PolarHBondContact O-N 2.99Å; A389-S392 WeakPolarHBondContact O-CB 3.17Å; A389-S392 PolarHBondContact O-N 3.3Å; A389-R393 PolarHBondContact O-N 2.75Å
390A86Confident87.8Confident29 Ų2958.8 Ų58.824%0.2430%0.298CS..Hα-helixtrans-63.4-46.1175.300000112.2R386 I387 S392 R393 L394R386-A390 WeakPolarHBondContact O-CB 3.49Å; R386-A390 PolarHBondContact O-N 3.32Å; I387-A390 PolarHBondContact O-N 3.32Å; A390-S392 PolarHBondContact O-N 3.13Å; A390-R393 PolarHBondContact O-N 3.17Å; A390-L394 WeakPolarHBondContact O-CG 3.46Å; A390-L394 PolarHBondContact O-N 2.93Å; A390-L394 VanDerWaalsContact O-N 3.07Å
391A90.3Very high87.6Confident14 Ų1461.6 Ų61.612%0.11631%0.313CS..Hα-helixtrans-60.4-33.8175.700000112.2I387 V388 L394 A395 L412 A415I387-A391 VanDerWaalsContact O-CB 3.3Å; I387-A391 WeakPolarHBondContact O-CB 3.4Å; I387-A391 PolarHBondContact O-N 3.01Å; V388-A391 PolarHBondContact O-N 3.24Å; A391-L394 PolarHBondContact O-N 3.27Å; A391-A395 WeakPolarHBondContact O-CB 3.25Å; A391-A395 PolarHBondContact O-N 2.63Å; A391-L412 HydrophobicContact CB-CB 4.18Å; A391-L412 HydrophobicContact CB-CD1 4Å; A391-A415 HydrophobicContact CB-CB 4.47Å
392S91.3Very high87.2Confident38 Ų3870.4 Ų70.427%0.26635%0.351SS..Hα-helixtrans-66.1-45.8177.2-155.90000111.6V388 A389 A390 L394 A395 T396V388-S392 WeakPolarHBondContact O-CB 3.47Å; V388-S392 PolarHBondContact O-N 3.39Å; A389-S392 WeakPolarHBondContact O-CB 3.17Å; A389-S392 PolarHBondContact O-N 3.3Å; A390-S392 PolarHBondContact O-N 3.13Å; S392-L394 VanDerWaalsContact C-N 3.28Å; S392-L394 PolarHBondContact O-N 2.82Å; S392-A395 PolarHBondContact O-N 3.1Å; S392-T396 PolarHBondContact O-N 2.9Å; S392-T396 VanDerWaalsContact O-N 3.15Å; S392-T396 PolarHBondContact O-OG1 3.31Å
393R88.3Confident87.1Confident178 Ų17871.6 Ų71.667%0.67237%0.366SS*.Hα-helixtrans-62.1-34.7174.9-65.5174.871.7-165.63.6112.4A389 A390 T396 D397A389-R393 PolarHBondContact O-N 2.75Å; A390-R393 PolarHBondContact O-N 3.17Å; R393-T396 PolarHBondContact O-OG1 2.91Å; R393-D397 PolarHBondContact O-N 3.05Å
394L83.6Confident87.1Confident32 Ų3272.4 Ų72.417%0.16837%0.372CS..Hα-helixtrans-71.7-38.1175.9-69.3169.4000112.6T357 A390 A391 S392 D397 R408T357-L394 HydrophobicContact CG2-CD1 3.72Å; T357-L394 HydrophobicContact CG2-CD2 3.92Å; T357-L394 HydrophobicContact CG2-CG 4.37Å; A390-L394 WeakPolarHBondContact O-CG 3.46Å; A390-L394 PolarHBondContact O-N 2.93Å; A390-L394 VanDerWaalsContact O-N 3.07Å; A391-L394 PolarHBondContact O-N 3.27Å; S392-L394 VanDerWaalsContact C-N 3.28Å; S392-L394 PolarHBondContact O-N 2.82Å; L394-D397 VanDerWaalsContact O-CB 3.25Å; L394-D397 WeakPolarHBondContact O-CB 3.44Å; L394-D397 PolarHBondContact O-N 2.89Å; L394-R408 HydrophobicContact CB-CG 4.48Å; L394-R408 WeakPolarHBondContact O-CD 3.41Å; L394-R408 PolarHBondContact O-NH1 3.34Å
395A88Confident86.9Confident12 Ų1275.9 Ų75.910%0.09939%0.385CS..Hα-helixtrans-68.9-34178.600000112.6A391 S392 Q409 L412A391-A395 WeakPolarHBondContact O-CB 3.25Å; A391-A395 PolarHBondContact O-N 2.63Å; S392-A395 PolarHBondContact O-N 3.1Å; A395-Q409 HydrophobicContact CB-CB 4.47Å; A395-L412 HydrophobicContact CB-CB 4.47Å; A395-L412 HydrophobicContact CB-CD2 3.95Å
396T85.4Confident86.8Confident95 Ų9578.5 Ų78.558%0.58340%0.399SS*.Hα-helixtrans-80.2-14.817853.90000114.4S392 R393 K398 R405S392-T396 PolarHBondContact O-N 2.9Å; S392-T396 VanDerWaalsContact O-N 3.15Å; S392-T396 PolarHBondContact O-OG1 3.31Å; R393-T396 PolarHBondContact O-OG1 2.91Å; T396-K398 PolarHBondContact O-N 3.38Å; T396-R405 PolarHBondContact O-NH2 3.03Å
397D83.2Confident87Confident18 Ų1880.6 Ų80.610%0.09641%0.411CS..  trans-48.2119.5177.8-175.6-7.2000112.2R393 L394 N399 T400 R405 R408R393-D397 PolarHBondContact O-N 3.05Å; L394-D397 VanDerWaalsContact O-CB 3.25Å; L394-D397 WeakPolarHBondContact O-CB 3.44Å; L394-D397 PolarHBondContact O-N 2.89Å; D397-N399 WeakPolarHBondContact OD1-CB 3.46Å; D397-N399 PolarHBondContact OD1-N 3.44Å; D397-T400 VanDerWaalsContact OD2-CG2 3.28Å; D397-T400 WeakPolarHBondContact OD2-CG2 3.2Å; D397-R405 PolarHBondContact O-NE 2.82Å; D397-R405 VanDerWaalsContact O-NE 3.11Å; D397-R405 PolarHBondContact O-NH2 3.06Å; D397-R408 VanDerWaalsContact CB-NH1 3.26Å; D397-R408 IonicContact OD2-CZ 3.84Å; D397-R408 IonicContact OD2-NH1 2.61Å; D397-R408 PolarHBondContact OD2-NH1 3.41Å; D397-R408 IonicContact OD2-NH2 2.71Å
398K81.4Confident87.1Confident190 Ų19080.7 Ų80.783%0.82641%0.408SS*.SBendtrans-87-15.7-179.6-67.9178.9-179.1177.90112.8T396 T400T396-K398 PolarHBondContact O-N 3.38Å; K398-T400 VanDerWaalsContact C-N 3.26Å; K398-T400 PolarHBondContact O-N 3.08Å
399N78.4Confident87.1Confident93 Ų9384.7 Ų84.750%0.49743%0.425SS..SBendtrans-87.922.9-175.1-166.221.4000112.8K352 R353 D397K352-N399 PolarHBondContact O-ND2 3.03Å; R353-N399 PolarHBondContact O-ND2 2.64Å; D397-N399 WeakPolarHBondContact OD1-CB 3.46Å; D397-N399 PolarHBondContact OD1-N 3.44Å
400T80.5Confident87.3Confident41 Ų4189 Ų8925%0.25243%0.433SS..SBendtrans-136.8150.5-172.959.20000114D397 K398D397-T400 VanDerWaalsContact OD2-CG2 3.28Å; D397-T400 WeakPolarHBondContact OD2-CG2 3.2Å; K398-T400 VanDerWaalsContact C-N 3.26Å; K398-T400 PolarHBondContact O-N 3.08Å
401N83Confident87.6Confident107 Ų10791.1 Ų91.157%0.57244%0.441SS*.  trans-57.6140.9-176.5-172.1-56.2000111.9S403 V404 R405N401-S403 PolarHBondContact O-N 3.23Å; N401-S403 VanDerWaalsContact O-N 3.07Å; N401-S403 PolarHBondContact OD1-N 2.96Å; N401-S403 PolarHBondContact OD1-OG 3.39Å; N401-V404 HydrophobicContact CB-CG2 4.26Å; N401-V404 WeakPolarHBondContact O-CA 3.36Å; N401-V404 WeakPolarHBondContact O-CB 3.42Å; N401-V404 PolarHBondContact O-N 3.24Å; N401-R405 PolarHBondContact O-N 3.12Å
402K85.4Confident87.8Confident187 Ų18791.1 Ų91.181%0.81344%0.439SS*.Hα-helixtrans-48.2-36.1178.9-169.3173-177.5175.20113.6K406K402-K406 WeakPolarHBondContact O-CB 3.35Å; K402-K406 PolarHBondContact O-N 3.05Å
403S86.8Confident88.1Confident80 Ų8095.3 Ų95.356%0.55945%0.454SS*.Hα-helixtrans-69.7-43175.663.20000112.9N401 K406 K407N401-S403 PolarHBondContact O-N 3.23Å; N401-S403 VanDerWaalsContact O-N 3.07Å; N401-S403 PolarHBondContact OD1-N 2.96Å; N401-S403 PolarHBondContact OD1-OG 3.39Å; S403-K406 PolarHBondContact O-N 2.95Å; S403-K407 PolarHBondContact O-N 3.48Å
404V87.4Confident88.4Confident62 Ų6289.7 Ų89.738%0.37645%0.446SS..Hα-helixtrans-66.6-43177.3177.40000110.6N401 K407 R408N401-V404 HydrophobicContact CB-CG2 4.26Å; N401-V404 WeakPolarHBondContact O-CA 3.36Å; N401-V404 WeakPolarHBondContact O-CB 3.42Å; N401-V404 PolarHBondContact O-N 3.24Å; V404-K407 WeakPolarHBondContact O-CB 3.45Å; V404-K407 PolarHBondContact O-N 2.93Å; V404-R408 HydrophobicContact CG1-CG 4.4Å; V404-R408 WeakPolarHBondContact O-CG 3.42Å; V404-R408 PolarHBondContact O-N 3.46Å
405R88.3Confident88.8Confident87 Ų8788.9 Ų88.933%0.32844%0.443SS..Hα-helixtrans-58.7-48.6172.9178179.2-91-152.2-16.6111.6T396 D397 N401 K407 R408 Q409T396-R405 PolarHBondContact O-NH2 3.03Å; D397-R405 PolarHBondContact O-NE 2.82Å; D397-R405 VanDerWaalsContact O-NE 3.11Å; D397-R405 PolarHBondContact O-NH2 3.06Å; N401-R405 PolarHBondContact O-N 3.12Å; R405-K407 VanDerWaalsContact C-N 3.29Å; R405-K407 PolarHBondContact O-N 2.94Å; R405-R408 PolarHBondContact O-N 3.13Å; R405-Q409 PolarHBondContact O-N 3.37Å
406K91.4Very high89.2Confident164 Ų16494.2 Ų94.271%0.71346%0.461SS*.Hα-helixtrans-60.1-37.3176.5-172.2173-177.7176.10112.1K402 S403 K410K402-K406 WeakPolarHBondContact O-CB 3.35Å; K402-K406 PolarHBondContact O-N 3.05Å; S403-K406 PolarHBondContact O-N 2.95Å; K406-K410 PolarHBondContact O-N 3.39Å
407K92.8Very high89.7Confident138 Ų13894.3 Ų94.360%0.646%0.458SS*.Hα-helixtrans-64.2-53.6172.5-171.4-168.9168.3-1770111.4S403 V404 R405 Q409 K410 D411S403-K407 PolarHBondContact O-N 3.48Å; V404-K407 WeakPolarHBondContact O-CB 3.45Å; V404-K407 PolarHBondContact O-N 2.93Å; R405-K407 VanDerWaalsContact C-N 3.29Å; R405-K407 PolarHBondContact O-N 2.94Å; K407-Q409 PolarHBondContact O-N 3.36Å; K407-K410 CarbonylContact O-C 3.59Å; K407-K410 WeakPolarHBondContact O-CA 3.4Å; K407-K410 WeakPolarHBondContact O-CB 3.26Å; K407-K410 PolarHBondContact O-N 3.05Å; K407-D411 VanDerWaalsContact O-CG 3.3Å; K407-D411 PolarHBondContact O-N 3.42Å
408R93.3Very high90.2Very high51 Ų51100.9 Ų100.919%0.19248%0.481CS..Hα-helixtrans-57.4-32.9-179.7-70.9171.4169.3-166.32.8112.8L394 D397 V404 R405 D411 L412L394-R408 HydrophobicContact CB-CG 4.48Å; L394-R408 WeakPolarHBondContact O-CD 3.41Å; L394-R408 PolarHBondContact O-NH1 3.34Å; D397-R408 VanDerWaalsContact CB-NH1 3.26Å; D397-R408 IonicContact OD2-CZ 3.84Å; D397-R408 IonicContact OD2-NH1 2.61Å; D397-R408 PolarHBondContact OD2-NH1 3.41Å; D397-R408 IonicContact OD2-NH2 2.71Å; V404-R408 HydrophobicContact CG1-CG 4.4Å; V404-R408 WeakPolarHBondContact O-CG 3.42Å; V404-R408 PolarHBondContact O-N 3.46Å; R405-R408 PolarHBondContact O-N 3.13Å; R408-D411 PolarHBondContact O-N 2.95Å; R408-L412 WeakPolarHBondContact O-CB 3.49Å; R408-L412 PolarHBondContact O-N 3.05Å
409Q93.4Very high90.9Very high106 Ų10692.7 Ų92.750%0.49545%0.446SS..Hα-helixtrans-69.3-35.4174.4-166.1171.37.200112.7A395 R405 K407 Q413A395-Q409 HydrophobicContact CB-CB 4.47Å; R405-Q409 PolarHBondContact O-N 3.37Å; K407-Q409 PolarHBondContact O-N 3.36Å; Q409-Q413 WeakPolarHBondContact O-CG 3.34Å; Q409-Q413 PolarHBondContact O-N 3.38Å; Q409-Q413 VanDerWaalsContact O-N 3.14Å
410K95.1Very high91.7Very high146 Ų14692.3 Ų92.364%0.63544%0.444SS*.Hα-helixtrans-69.1-39.6169-176.4175.6179.6175.30111.7K406 K407 L412 Q413 A414K406-K410 PolarHBondContact O-N 3.39Å; K407-K410 CarbonylContact O-C 3.59Å; K407-K410 WeakPolarHBondContact O-CA 3.4Å; K407-K410 WeakPolarHBondContact O-CB 3.26Å; K407-K410 PolarHBondContact O-N 3.05Å; K410-L412 VanDerWaalsContact C-N 3.31Å; K410-L412 PolarHBondContact O-N 3.16Å; K410-Q413 PolarHBondContact O-N 3.32Å; K410-A414 PolarHBondContact O-N 2.97Å
411D92.9Very high92.4Very high75 Ų7598.4 Ų98.440%0.40146%0.463SS..Hα-helixtrans-63-38.3176.7-59.1-28.1000110.8K407 R408 A414 A415K407-D411 VanDerWaalsContact O-CG 3.3Å; K407-D411 PolarHBondContact O-N 3.42Å; R408-D411 PolarHBondContact O-N 2.95Å; D411-A414 PolarHBondContact O-N 3.24Å; D411-A415 WeakPolarHBondContact O-CB 3.3Å; D411-A415 PolarHBondContact O-N 3.28Å
412L94.9Very high92.9Very high14 Ų1494.7 Ų94.77%0.07344%0.443CS..Hα-helixtrans-62-44.7170.5171.762.6000112.9V388 A391 A395 R408 K410 A414 A415 R416V388-L412 HydrophobicContact CG1-CD1 4.27Å; A391-L412 HydrophobicContact CB-CB 4.18Å; A391-L412 HydrophobicContact CB-CD1 4Å; A395-L412 HydrophobicContact CB-CB 4.47Å; A395-L412 HydrophobicContact CB-CD2 3.95Å; R408-L412 WeakPolarHBondContact O-CB 3.49Å; R408-L412 PolarHBondContact O-N 3.05Å; K410-L412 VanDerWaalsContact C-N 3.31Å; K410-L412 PolarHBondContact O-N 3.16Å; L412-A414 VanDerWaalsContact C-N 3.34Å; L412-A414 PolarHBondContact O-N 2.93Å; L412-A415 PolarHBondContact O-N 3.02Å; L412-R416 HydrophobicContact CD1-CG 4.25Å; L412-R416 WeakPolarHBondContact O-CG 2.77Å; L412-R416 PolarHBondContact O-N 2.94Å
413Q95.7Very high93.3Very high126 Ų12688.2 Ų88.259%0.58942%0.415SS*.Hα-helixtrans-61.2-42.8175.7-73.7171.9-26.500111.5Q409 K410 R416 L417Q409-Q413 WeakPolarHBondContact O-CG 3.34Å; Q409-Q413 PolarHBondContact O-N 3.38Å; Q409-Q413 VanDerWaalsContact O-N 3.14Å; K410-Q413 PolarHBondContact O-N 3.32Å; Q413-R416 PolarHBondContact O-N 3.39Å; Q413-L417 PolarHBondContact O-N 2.92Å
414A94.4Very high93.6Very high60 Ų6090.2 Ų90.250%0.49642%0.416SS..Hα-helixtrans-64.7-40176.100000112.6K410 D411 L412 L417 R418K410-A414 PolarHBondContact O-N 2.97Å; D411-A414 PolarHBondContact O-N 3.24Å; L412-A414 VanDerWaalsContact C-N 3.34Å; L412-A414 PolarHBondContact O-N 2.93Å; A414-L417 PolarHBondContact O-N 3.04Å; A414-R418 PolarHBondContact O-N 3.02Å
415A93.9Very high93.8Very high14 Ų1488.2 Ų88.212%0.11641%0.407CS..Hα-helixtrans-63-44.7174.800000112I387 V388 A391 D411 L412 R418 L419I387-A415 HydrophobicContact CG2-CB 4.28Å; V388-A415 VanDerWaalsContact CG2-C 3.47Å; V388-A415 HydrophobicContact CG2-CB 3.78Å; V388-A415 WeakPolarHBondContact CG2-O 3.48Å; A391-A415 HydrophobicContact CB-CB 4.47Å; D411-A415 WeakPolarHBondContact O-CB 3.3Å; D411-A415 PolarHBondContact O-N 3.28Å; L412-A415 PolarHBondContact O-N 3.02Å; A415-R418 PolarHBondContact O-N 3.47Å; A415-L419 PolarHBondContact O-N 2.81Å
416R95.6Very high93.9Very high124 Ų12484.6 Ų84.647%0.46840%0.395SS..Hα-helixtrans-60.6-46.7175.6-73.1177.2179.3-172.20.2111.6V388 L412 Q413 R418 L419 N420V388-R416 HydrophobicContact CG1-CG 3.77Å; V388-R416 HydrophobicContact CG2-CG 4.23Å; L412-R416 HydrophobicContact CD1-CG 4.25Å; L412-R416 WeakPolarHBondContact O-CG 2.77Å; L412-R416 PolarHBondContact O-N 2.94Å; Q413-R416 PolarHBondContact O-N 3.39Å; R416-R418 VanDerWaalsContact C-N 3.26Å; R416-R418 PolarHBondContact O-N 3.11Å; R416-L419 PolarHBondContact O-N 3.27Å; R416-N420 PolarHBondContact O-N 3.48Å; R416-N420 PolarHBondContact O-OD1 3.21Å
417L96.3Very high93.9Very high98 Ų9882 Ų8251%0.51339%0.385SS..Hα-helixtrans-59.8-36.8176.7-178.362.8000112.4Q413 A414 R421Q413-L417 PolarHBondContact O-N 2.92Å; A414-L417 PolarHBondContact O-N 3.04Å; L417-R421 WeakPolarHBondContact O-CG 3.45Å; L417-R421 PolarHBondContact O-N 3.42Å
418R94Very high93.8Very high155 Ų15582.4 Ų82.459%0.58539%0.389SS*.Hα-helixtrans-71.3-39.3177.1-172.3169.8178-173.5-7.5112.5H384 A414 A415 R416 R421 L422H384-R418 WeakPolarHBondContact NE2-CD 3.26Å; H384-R418 PolarHBondContact NE2-NE 3.23Å; A414-R418 PolarHBondContact O-N 3.02Å; A415-R418 PolarHBondContact O-N 3.47Å; R416-R418 VanDerWaalsContact C-N 3.26Å; R416-R418 PolarHBondContact O-N 3.11Å; R418-R421 PolarHBondContact O-N 3.37Å; R418-L422 HydrophobicContact CG-CD1 4.4Å; R418-L422 WeakPolarHBondContact O-CG 3.43Å; R418-L422 PolarHBondContact O-N 3.12Å
419L95.5Very high93.4Very high18 Ų1882.5 Ų82.59%0.09439%0.392CS..Hα-helixtrans-59-52.1173.1174.460.3000111V381 H384 R385 V388 A415 R416 R421 L422 E423V381-L419 HydrophobicContact CG1-CD1 4.19Å; H384-L419 HydrophobicContact CB-CB 4.31Å; H384-L419 HydrophobicContact CB-CD1 4.05Å; R385-L419 HydrophobicContact CG-CD1 3.67Å; R385-L419 HydrophobicContact CG-CD2 3.88Å; R385-L419 HydrophobicContact CG-CG 4.44Å; V388-L419 HydrophobicContact CG2-CB 4.14Å; V388-L419 HydrophobicContact CG2-CD2 4.09Å; A415-L419 PolarHBondContact O-N 2.81Å; R416-L419 PolarHBondContact O-N 3.27Å; L419-R421 VanDerWaalsContact C-N 3.26Å; L419-R421 PolarHBondContact O-N 2.92Å; L419-L422 PolarHBondContact O-N 2.84Å; L419-E423 HydrophobicContact CD1-CG 3.96Å; L419-E423 HydrophobicContact CG-CG 4.46Å; L419-E423 PolarHBondContact O-N 2.92Å
420N95.3Very high93Very high85 Ų8583.7 Ų83.746%0.45539%0.392SS..Hα-helixtrans-56.5-39.1-179.2-66.819.3000112.3R416 E423 Q424R416-N420 PolarHBondContact O-N 3.48Å; R416-N420 PolarHBondContact O-OD1 3.21Å; N420-E423 PolarHBondContact O-N 3.42Å; N420-Q424 WeakPolarHBondContact O-CB 3.32Å; N420-Q424 VanDerWaalsContact O-CG 3.27Å; N420-Q424 WeakPolarHBondContact O-CG 3.44Å; N420-Q424 PolarHBondContact O-N 2.94Å
421R94.8Very high92.4Very high170 Ų17083.2 Ų83.264%0.64239%0.392SS*.Hα-helixtrans-65.7-37.5176.5-74.8176.3177-167.3-2113L417 R418 L419 G425L417-R421 WeakPolarHBondContact O-CG 3.45Å; L417-R421 PolarHBondContact O-N 3.42Å; R418-R421 PolarHBondContact O-N 3.37Å; L419-R421 VanDerWaalsContact C-N 3.26Å; L419-R421 PolarHBondContact O-N 2.92Å; R421-G425 PolarHBondContact O-N 3.01Å
422L93.1Very high91.8Very high29 Ų2982.9 Ų82.915%0.15240%0.396CS..Hα-helixtrans-71.7-40.1176.8-68.9166.7000111.2L377 D380 V381 H384 R418 L419 G425 L426L377-L422 HydrophobicContact CD2-CD2 4.34Å; D380-L422 HydrophobicContact CB-CD1 4.36Å; D380-L422 HydrophobicContact CB-CD2 4.3Å; V381-L422 HydrophobicContact CG2-CB 3.64Å; H384-L422 HydrophobicContact CB-CD1 4.01Å; H384-L422 VanDerWaalsContact CG-CD1 3.46Å; H384-L422 VanDerWaalsContact ND1-CD1 3.27Å; H384-L422 WeakPolarHBondContact ND1-CD1 3.29Å; R418-L422 HydrophobicContact CG-CD1 4.4Å; R418-L422 WeakPolarHBondContact O-CG 3.43Å; R418-L422 PolarHBondContact O-N 3.12Å; L419-L422 PolarHBondContact O-N 2.84Å; L422-G425 PolarHBondContact O-N 3.45Å; L422-L426 WeakPolarHBondContact O-CB 3.43Å; L422-L426 PolarHBondContact O-N 2.99Å
423E93.8Very high90.7Very high50 Ų5085.5 Ų85.523%0.23442%0.419CS..Hα-helixtrans-66.6-36.4176.1-69.4-175.5143.700112.1V381 R385 L419 N420 L426 Q427V381-E423 HydrophobicContact CB-CG 4.4Å; V381-E423 HydrophobicContact CG1-CG 3.61Å; V381-E423 HydrophobicContact CG2-CG 3.82Å; R385-E423 IonicContact CZ-OE1 4Å; R385-E423 VanDerWaalsContact CZ-OE1 3.31Å; R385-E423 IonicContact NE-OE1 3.64Å; R385-E423 PolarHBondContact NE-OE1 2.62Å; R385-E423 IonicContact NH2-OE1 3.28Å; R385-E423 PolarHBondContact NH2-OE1 2.74Å; L419-E423 HydrophobicContact CD1-CG 3.96Å; L419-E423 HydrophobicContact CG-CG 4.46Å; L419-E423 PolarHBondContact O-N 2.92Å; N420-E423 PolarHBondContact O-N 3.42Å; E423-L426 PolarHBondContact O-N 3.48Å; E423-Q427 VanDerWaalsContact O-CG 3.27Å; E423-Q427 WeakPolarHBondContact O-CG 3.44Å; E423-Q427 PolarHBondContact O-N 3.07Å
424Q94.1Very high89.2Confident122 Ų12283.3 Ų83.357%0.5742%0.418SS*.Hα-helixtrans-63.8-44.6169.8-75.6171.3-12.500112.4N420 L426 Q427 Q428N420-Q424 WeakPolarHBondContact O-CB 3.32Å; N420-Q424 VanDerWaalsContact O-CG 3.27Å; N420-Q424 WeakPolarHBondContact O-CG 3.44Å; N420-Q424 PolarHBondContact O-N 2.94Å; Q424-L426 VanDerWaalsContact C-N 3.32Å; Q424-L426 PolarHBondContact O-N 3.04Å; Q424-Q427 PolarHBondContact O-N 3Å; Q424-Q428 WeakPolarHBondContact O-CB 3.44Å; Q424-Q428 PolarHBondContact O-N 2.89Å
425G92.2Very high87.3Confident20 Ų2088.7 Ų88.721%0.20643%0.43CS..Hα-helixtrans-62.4-37.9175.700000112.8R421 L422 Q428 M429R421-G425 PolarHBondContact O-N 3.01Å; L422-G425 PolarHBondContact O-N 3.45Å; G425-Q428 PolarHBondContact O-N 3.43Å; G425-M429 WeakPolarHBondContact O-CG 3.48Å; G425-M429 PolarHBondContact O-N 3.26Å
426L90.4Very high85.1Confident12 Ų1293 Ų936%0.06346%0.457CS..Hα-helixtrans-65.5-45.1173.9179.262.6000112M374 L377 E378 V381 L422 E423 Q424 Q428 M429 R430M374-L426 HydrophobicContact CG-CD1 4.32Å; L377-L426 HydrophobicContact CB-CD1 4.22Å; E378-L426 HydrophobicContact CG-CD1 3.39Å; E378-L426 HydrophobicContact CG-CD2 3.89Å; E378-L426 HydrophobicContact CG-CG 4.29Å; V381-L426 HydrophobicContact CG2-CB 4.46Å; V381-L426 HydrophobicContact CG2-CD2 4.27Å; L422-L426 WeakPolarHBondContact O-CB 3.43Å; L422-L426 PolarHBondContact O-N 2.99Å; E423-L426 PolarHBondContact O-N 3.48Å; Q424-L426 VanDerWaalsContact C-N 3.32Å; Q424-L426 PolarHBondContact O-N 3.04Å; L426-Q428 VanDerWaalsContact C-N 3.35Å; L426-Q428 PolarHBondContact O-N 2.59Å; L426-M429 PolarHBondContact O-N 3.23Å; L426-R430 WeakPolarHBondContact O-CG 3.47Å; L426-R430 PolarHBondContact O-N 2.88Å
427Q90.1Very high82.2Confident109 Ų10994 Ų9451%0.50947%0.471SS..Hα-helixtrans-59.5-45.2174.5-73.21676.100111.2E423 Q424 M429 R430 H431E423-Q427 VanDerWaalsContact O-CG 3.27Å; E423-Q427 WeakPolarHBondContact O-CG 3.44Å; E423-Q427 PolarHBondContact O-N 3.07Å; Q424-Q427 PolarHBondContact O-N 3Å; Q427-M429 VanDerWaalsContact C-N 3.34Å; Q427-M429 PolarHBondContact O-N 3.24Å; Q427-R430 PolarHBondContact O-N 2.98Å; Q427-H431 PolarHBondContact O-CD2 2.94Å; Q427-H431 PolarHBondContact O-N 3.2Å
428Q90.9Very high79.8Confident146 Ų14697.2 Ų97.268%0.68249%0.488SS*.Hα-helixtrans-60.2-41.3177.3-168.6177.730.900112.4Q424 G425 L426 H431 S432Q424-Q428 WeakPolarHBondContact O-CB 3.44Å; Q424-Q428 PolarHBondContact O-N 2.89Å; G425-Q428 PolarHBondContact O-N 3.43Å; L426-Q428 VanDerWaalsContact C-N 3.35Å; L426-Q428 PolarHBondContact O-N 2.59Å; Q428-H431 PolarHBondContact O-N 3.33Å; Q428-S432 PolarHBondContact O-N 2.86Å; Q428-S432 PolarHBondContact O-OG 2.79Å
429M84.4Confident77.4Confident53 Ų5394.5 Ų94.526%0.26149%0.492SS..Hα-helixtrans-67.7-35.3175-76-63-5500113.3L377 G425 L426 Q427 S432 A433L377-M429 HydrophobicContact CD1-CB 4.47Å; L377-M429 HydrophobicContact CD1-CG 3.7Å; G425-M429 WeakPolarHBondContact O-CG 3.48Å; G425-M429 PolarHBondContact O-N 3.26Å; L426-M429 PolarHBondContact O-N 3.23Å; Q427-M429 VanDerWaalsContact C-N 3.34Å; Q427-M429 PolarHBondContact O-N 3.24Å; M429-S432 WeakPolarHBondContact CA-OG 3.43Å; M429-S432 PolarHBondContact O-OG 2.98Å; M429-S432 VanDerWaalsContact O-OG 3.11Å; M429-A433 WeakPolarHBondContact O-CB 3.47Å; M429-A433 PolarHBondContact O-N 3.17Å; M429-A433 VanDerWaalsContact O-N 3.15Å
430R86.7Confident74.8Confident132 Ų13298.8 Ų98.850%0.49852%0.524SS..Hα-helixtrans-69.3-38.3174.8-72.6172.8173.4-168.7-3.6111.7M374 E378 L426 Q427 S434M374-R430 HydrophobicContact SD-CG 4.22Å; E378-R430 IonicContact OE1-CZ 3.41Å; E378-R430 IonicContact OE1-NE 3.34Å; E378-R430 PolarHBondContact OE1-NE 3.02Å; E378-R430 IonicContact OE1-NH2 2.66Å; E378-R430 PolarHBondContact OE1-NH2 3.15Å; L426-R430 WeakPolarHBondContact O-CG 3.47Å; L426-R430 PolarHBondContact O-N 2.88Å; Q427-R430 PolarHBondContact O-N 2.98Å; R430-S434 PolarHBondContact O-N 3.22Å
431H82.3Confident72.1Confident136 Ų136103 Ų10363%0.6355%0.545SS*.Hα-helixtrans-71-34.3174.9-68.7-53.5000113.6Q427 Q428 S434Q427-H431 PolarHBondContact O-CD2 2.94Å; Q427-H431 PolarHBondContact O-N 3.2Å; Q428-H431 PolarHBondContact O-N 3.33Å; H431-S434 PolarHBondContact O-N 3.28Å; H431-S434 PolarHBondContact O-OG 3.47Å
432S80.3Confident69.3Low68 Ų68101.2 Ų101.248%0.47655%0.553SS.*Hα-helixtrans-73.6-29.3176.262.60000112.8Q428 M429 S434Q428-S432 PolarHBondContact O-N 2.86Å; Q428-S432 PolarHBondContact O-OG 2.79Å; M429-S432 WeakPolarHBondContact CA-OG 3.43Å; M429-S432 PolarHBondContact O-OG 2.98Å; M429-S432 VanDerWaalsContact O-OG 3.11Å; S432-S434 VanDerWaalsContact C-N 3.33Å
433A70.3Confident66.5Low68 Ų68104.6 Ų104.656%0.56258%0.58SS**THydrogen-bonded Turntrans-77.2-11.9174.300000114.4M374 M429M374-A433 HydrophobicContact CE-CB 3.63Å; M429-A433 WeakPolarHBondContact O-CB 3.47Å; M429-A433 PolarHBondContact O-N 3.17Å; M429-A433 VanDerWaalsContact O-N 3.15Å
434S65.3Low63.6Low81 Ų81109.4 Ų109.457%0.56661%0.607SS**THydrogen-bonded Turntrans-99.927.3-17576.50000114.5R430 H431 S432R430-S434 PolarHBondContact O-N 3.22Å; H431-S434 PolarHBondContact O-N 3.28Å; H431-S434 PolarHBondContact O-OG 3.47Å; S432-S434 VanDerWaalsContact C-N 3.33Å
435K54.3Low60.6Low172 Ų172109.7 Ų109.775%0.74862%0.622SS**  trans-83.2124.5173.8-74.6-173.3173.5-173.60110.7
436P46.7Very low58Low106 Ų106113.6 Ų113.669%0.68865%0.646SS**  trans-78.4125.716331.4-30.8000109.9I438P436-I438 PolarHBondContact O-N 2.83Å; P436-I438 VanDerWaalsContact O-N 3.08Å
437D35.4Very low55.4Low143 Ų143120.7 Ų120.777%0.76569%0.685SS**  trans-75.393.8171.5-86.9-44.3000110.5S439D437-S439 VanDerWaalsContact C-N 3.35Å; D437-S439 PolarHBondContact O-N 2.96Å
438I46.5Very low52.6Low167 Ų167120.2 Ų120.286%0.85669%0.693SS**  trans-8781.3165.6-58.9179.7000107.7P436P436-I438 PolarHBondContact O-N 2.83Å; P436-I438 VanDerWaalsContact O-N 3.08Å
439S43.3Very low49.8Very low97 Ų97124 Ų12468%0.67870%0.701SS**  trans-149.724.7179.656.90000114.2D437D437-S439 VanDerWaalsContact C-N 3.35Å; D437-S439 PolarHBondContact O-N 2.96Å
440S40.8Very low47.5Very low108 Ų108127.2 Ų127.276%0.75572%0.724SS**  trans-142.889.4172.2540000113.9
441L38.3Very low45Very low174 Ų174125 Ų12591%0.91173%0.734SS**  trans-162.6146.6139.1-106.5166.4000108.9
442T36.6Very low42.8Very low132 Ų132123.3 Ų123.381%0.8174%0.738SS**  trans-93.9164.3-165.647.50000113.6
443S34.3Very low40.8Very low101 Ų101127.5 Ų127.571%0.70676%0.755SS**  trans-64173.4177.2-47.70000114.7
444D33.3Very low39.1Very low151 Ų151128.8 Ų128.881%0.80776%0.76SS**  trans74.497156.6-55.9-16.5000119.2
445S29.8Very low37.7Very low127 Ų127130.7 Ų130.789%0.88877%0.773SS**  -163.1143.1113.4-82.20000112.7
446S38.3Very low36.7Very low102 Ų102125.9 Ų125.971%0.71377%0.773SS**  trans-83.1140.4173169.10000111.2
447N36.2Very low36.9Very low162 Ų162127.4 Ų127.487%0.86678%0.782SS**  -173.9167.5117.7-89.3-17.6000113.4
448S31.1Very low37Very low99 Ų99128.5 Ų128.569%0.69279%0.785SS**  trans-111.4-169-167-171.80000112.6
449W31.1Very low36.7Very low224 Ų224127.3 Ų127.385%0.84878%0.779SS**  trans75.9131.7176.4-49.380.4000114.2
450T36.2Very low36.3Very low121 Ų121128.2 Ų128.274%0.74278%0.781SS**  cis-155.8162.2-0.7-1.50000113.9
451A34.4Very low36Very low86 Ų86131.1 Ų131.171%0.71179%0.785SS**  trans-25.7170163.400000120
452S36.8Very low35.8Very low101 Ų101126.7 Ų126.771%0.70677%0.773SS**  cis-160162.231.6-570000115.7
453N37Very low35.6Very low155 Ų155128 Ų12883%0.82977%0.772SS**  trans68.5144.6150.2-73.79.9000120.5
454S35.1Very low35.5Very low95 Ų95128.7 Ų128.766%0.66477%0.772SS**  cis-164.8155.1-7.246.10000114
455S37.3Very low35.6Very low121 Ų121131 Ų13185%0.84678%0.775SS**  trans77123.1155.6-54.70000120.2
456G31.4Very low35.6Very low72 Ų72130.3 Ų130.374%0.74277%0.77SS**  trans-94.9-160.7163.100000112.6
457P52.4Low35.3Very low137 Ų137130.6 Ų130.689%0.8977%0.771SS**  cis-132.4-158.143.140.2-22.3000116.2
458M37Very low35.6Very low167 Ų167128.9 Ų128.982%0.82377%0.769SS**  trans-75.5174.5-165.8-53.8171.584.700114.2
459L39.3Very low35.7Very low141 Ų141130.3 Ų130.374%0.73877%0.773SS**  cis-155.7142.737-82.4168000115.6
460T36.3Very low36.5Very low116 Ų116125.8 Ų125.871%0.71277%0.771SS**  65.3130.5128.5-51.80000125
461M33.6Very low37Very low169 Ų169125.3 Ų125.383%0.83377%0.77SS**  trans81.5122.3154.9-89.4-170.971.400124
462A33.7Very low37.1Very low81 Ų81133 Ų13367%0.66978%0.78SS**  trans-54.6156.1165.300000114.5
463M32.4Very low36.8Very low161 Ų161131.5 Ų131.579%0.79378%0.781SS**  -165.2154.778.8-87-168.2179.400115.2
464T32.1Very low36.7Very low114 Ų114130 Ų13070%0.69978%0.783SS**  trans49.4119.4150.256.80000123.1
465K36.3Very low36.5Very low199 Ų199131.7 Ų131.787%0.86579%0.789SS**  trans56.3101.7133.9-62.4-174.6178-178.40120.4
466S30.8Very low37Very low114 Ų114132 Ų13280%0.79779%0.788SS**  trans176.3163.514338.60000108.9
467C31Very low37Very low107 Ų107134.7 Ų134.772%0.72379%0.785SS**  cis-162.6156.8-29.7-96.30000106.9
468P41.7Very low36.1Very low126 Ų126134.2 Ų134.282%0.81877%0.774SS**  trans-75.1126.1158.131.1-30.3000109.7
469T34.4Very low35.8Very low129 Ų129136.2 Ų136.279%0.79177%0.773SS**  trans-72.6139.8-171.2-56.10000114.1
470T46.9Very low35.5Very low129 Ų129137 Ų13779%0.79178%0.778SS**  trans-113.1133.9150.644.70000110.4
471P47.5Very low35.1Very low112 Ų112135.3 Ų135.373%0.72778%0.783SS**  trans-77.9130.5161.230.8-29.5000109.3
472R36.1Very low35.5Very low247 Ų247134.9 Ų134.993%0.93278%0.783SS**  76.3117.960-176.4-173.3-172.9167.43.2111
473G29.7Very low35.5Very low70 Ų70138.2 Ų138.272%0.72279%0.79SS**  cis-155.3-161.4-2.600000109.5
474S35.5Very low36.1Very low123 Ų123138.2 Ų138.286%0.8679%0.793SS**  cis-156.4160.27.9-64.50000111
475V31.8Very low36.2Very low130 Ų130139.7 Ų139.779%0.78879%0.792SS**  trans-75.9161.4174.5-120.80000112
476P47.1Very low36.5Very low127 Ų127137.7 Ų137.783%0.82578%0.784SS**  -142.1-177.261.830.6-7.6000115.9
477D31.4Very low36.5Very low129 Ų129140.3 Ų140.369%0.6979%0.789SS**  cis-168.3163.9-38.9-167.314.6000110.1
478L34.1Very low37Very low127 Ų127143.8 Ų143.867%0.66579%0.794SS**  trans55.9112.5166.1-57.9-169.3000123.5
479R30.2Very low36.4Very low210 Ų210147.1 Ų147.179%0.79280%0.796SS**  85.8121.7121.3-75.7178.8163.1-157.2-5.9123.4
480N32.3Very low36.5Very low157 Ų157147.2 Ų147.284%0.8479%0.792SS**  trans52.7108.1132.8-61.729000120.4
481G29Very low35.7Very low80 Ų80149.1 Ų149.183%0.82579%0.792SS**  trans-152.5151.715500000109.7
482L42.1Very low35.2Very low160 Ų160150.8 Ų150.884%0.83880%0.795SS**  trans-109.9172.3178-83.9167.2000111.2
483D32.5Very low35.3Very low152 Ų152144.7 Ų144.781%0.81378%0.784SS**  trans82.5160.5155.9-54.7-41.5000120.1
484D45.4Very low35.5Very low160 Ų160147.1 Ų147.186%0.85678%0.777SS**  trans-68145.9-173.9-74.2-78.9000113.9
485E33.8Very low35.4Very low145 Ų145148.9 Ų148.968%0.67878%0.777SS**  -154.1172.7115.7-111.3-59.2169.200110.1
486K42.8Very low35.5Very low158 Ų158151 Ų15169%0.68777%0.771SS**  trans-70.5157.2162.8-52164.2-138.475.90108.6
487D31.6Very low34.8Very low169 Ų169151.1 Ų151.190%0.90477%0.769SS**  trans-143.8155.2132.9-118-35.1000112.5
488E40.3Very low34.8Very low179 Ų179149.6 Ų149.684%0.83677%0.768SS**  trans-122.2103.9-179.9171.6174.8-155.500106.9
489F29.7Very low34.7Very low197 Ų197154.4 Ų154.486%0.86478%0.777SS**  trans-143.6146.4165.2-138.9-100.5000113.1
490D36.2Very low34.6Very low130 Ų130156 Ų15670%0.69578%0.784SS**  trans-109143.1-178.6175.924.2000108
491E31Very low34.5Very low170 Ų170152.7 Ų152.779%0.79478%0.777SS**  trans-162.8145.5140.7-120.5177-161.100113.4
492N37.5Very low35.4Very low147 Ų147154.7 Ų154.779%0.78678%0.776SS**  trans-121.9117.8179.7161.8100000109.5
493V36.6Very low35Very low118 Ų118152.1 Ų152.172%0.71577%0.772SS**  trans-147.8134.1177.7174.30000107.4
494E34.8Very low35Very low121 Ų121149 Ų14957%0.56577%0.767SS**  cis-149.4155.6-13.9-133.3-169.4152.900106.4R496E494-R496 IonicContact OE1-CZ 3.19Å; E494-R496 IonicContact OE1-NE 3.01Å; E494-R496 PolarHBondContact OE1-NE 2.87Å; E494-R496 IonicContact OE1-NH2 2.89Å; E494-R496 PolarHBondContact OE1-NH2 2.8Å; E494-R496 IonicContact OE2-CZ 2.67Å; E494-R496 IonicContact OE2-NE 2.82Å; E494-R496 PolarHBondContact OE2-NE 3.35Å; E494-R496 IonicContact OE2-NH2 3.32Å; E494-R496 PolarHBondContact OE2-NH2 2.95Å; E494-R496 VanDerWaalsContact OE2-NH2 3.11Å
495D33.3Very low34.2Very low160 Ų160149.6 Ų149.686%0.85677%0.768SS**  trans-146.4150.1141.6-157.71.3000109.9
496R34.8Very low34Very low175 Ų175146.8 Ų146.866%0.6677%0.765SS**  trans-106.6158.2-173.7-65.9-176.7174.2173.95.3108.7E494E494-R496 IonicContact OE1-CZ 3.19Å; E494-R496 IonicContact OE1-NE 3.01Å; E494-R496 PolarHBondContact OE1-NE 2.87Å; E494-R496 IonicContact OE1-NH2 2.89Å; E494-R496 PolarHBondContact OE1-NH2 2.8Å; E494-R496 IonicContact OE2-CZ 2.67Å; E494-R496 IonicContact OE2-NE 2.82Å; E494-R496 PolarHBondContact OE2-NE 3.35Å; E494-R496 IonicContact OE2-NH2 3.32Å; E494-R496 PolarHBondContact OE2-NH2 2.95Å; E494-R496 VanDerWaalsContact OE2-NH2 3.11Å
497V30.5Very low33.4Very low130 Ų130149.7 Ų149.779%0.78877%0.772SS**  -167.8133.266.9162.60000110.5
498S33.3Very low33.3Very low96 Ų96149.6 Ų149.667%0.67177%0.765SS**  trans17.5136.1136.9-110.50000119.1
499R31.7Very low33Very low229 Ų229145.8 Ų145.886%0.86476%0.758SS**  cis-150.7177.916.4-56.6-177.4-175.4-143.6-2.1107.6
500R27.2Very low32.9Very low244 Ų244144.7 Ų144.792%0.92176%0.76SS**  cis-163.5148.227-167.3179.8-165.9156.62.3109.3
501A31.1Very low32.7Very low86 Ų86143.4 Ų143.471%0.71176%0.762SS**  trans-110.9-168179.900000110.8
502P47.7Very low32.7Very low122 Ų122144.2 Ų144.279%0.79277%0.765SS**  cis-113.3-150.5-3.943.8-28.3000111.2
503S32.5Very low32.4Very low107 Ų107147.9 Ų147.975%0.74877%0.768SS**  cis-168.1162.27.236.50000109.4
504A32.6Very low32Very low87 Ų87153.3 Ų153.372%0.71978%0.778SS**  cis-177.8-176.4-21.300000109.9
505I30Very low31.8Very low171 Ų171153 Ų15388%0.87779%0.789SS**  trans87.6141.8159.1-75.3167.4000119.1
506S28.6Very low31.6Very low87 Ų87148.9 Ų148.961%0.60878%0.784SS**  cis174.2162.3-34.9-174.20000107.9
507R30.7Very low31.3Very low219 Ų219147 Ų14783%0.82679%0.792SS**  trans74.3146.7164.8-44.8-166.3-174.9-141.1-1.1116.1
508H29.3Very low31.1Very low167 Ų167146.2 Ų146.277%0.77379%0.792SS**  cis-154.1160.8-20.5-134.5-87.1000109.9
509S33.1Very low30.8Very low99 Ų99147.6 Ų147.669%0.69280%0.802SS**  trans-100.4153.1162.256.70000111.5
510L29.6Very low30.6Very low173 Ų173142.1 Ų142.191%0.90680%0.798SS**  trans-156.3144.9145.8-151.272.3000110.8
511S30.8Very low30.8Very low103 Ų103135.4 Ų135.472%0.7279%0.789SS**  trans-96.9164.7176.4-44.50000111.1
512Q31.9Very low30.7Very low187 Ų187137.6 Ų137.687%0.87479%0.793SS**  -174.1-179.6109.7-99.2-171.63500113.2
513R29.8Very low30Very low225 Ų225136.9 Ų136.985%0.84979%0.791SS**  trans-100.2162.9-170.2-41.1173.6-166.9-163.61.5110.2
514Y28.8Very low30.1Very low232 Ų232137.2 Ų137.291%0.9179%0.793SS**  -169.6172.7116.9-108.6-73.8000110.5
515S30.2Very low30Very low115 Ų115136.5 Ų136.580%0.80480%0.795SS**  trans-126.7135.8-164.8-52.10000113.7
516G29Very low30.4Very low72 Ų72133.4 Ų133.474%0.74279%0.788SS**  trans104.2177138.500000120
517V29.1Very low30.7Very low137 Ų137136.6 Ų136.683%0.8380%0.798SS**  trans68.585.4168.2-56.30000120.9
518S26.8Very low30.9Very low113 Ų113130.1 Ų130.179%0.7979%0.787SS**  52.7153.4111.5-520000123.9
519S27.2Very low31.3Very low125 Ų125130.1 Ų130.187%0.87479%0.789SS**  trans90.6145.8170.9-34.30000114.8
520S26.2Very low31.3Very low114 Ų114128.2 Ų128.280%0.79779%0.785SS**  cis-146.1171.94.658.90000113.5
521S31.1Very low31.4Very low103 Ų103128.5 Ų128.572%0.7279%0.786SS**  trans-71.9168.5171.653.10000112.9
522T29.4Very low31.4Very low131 Ų131126.6 Ų126.680%0.80478%0.784SS**  -155.3172.984.834.90000116.3
523S33.3Very low31.4Very low107 Ų107126.2 Ų126.275%0.74879%0.786SS**  trans-45.5166175.551.30000117.6
524S35.4Very low32.5Very low114 Ų114120.8 Ų120.880%0.79778%0.78SS**  cis-137.9159.324.2-53.60000110.8
525G30.6Very low34.1Very low72 Ų72115.1 Ų115.174%0.74277%0.772SS**  cis119.8160.533.700000108.1
526S36.9Very low34.2Very low106 Ų106121.5 Ų121.574%0.74178%0.779SS**  cis169.6147.1-7.543.90000106
527D34.7Very low35.3Very low154 Ų154122.8 Ų122.882%0.82477%0.774SS**  cis-163.7-177.7-3.6-124.8-97.1000106.6
528S36.8Very low35.3Very low83 Ų83122.8 Ų122.858%0.5877%0.774SS**  cis-151.3-167.86.244.80000106.4
529M36.8Very low35.4Very low167 Ų167122.5 Ų122.582%0.82377%0.772SS**  cis-138.3-178.115.6-84.9-68.3-177.400108.4
530G32.1Very low35.6Very low59 Ų59127.4 Ų127.461%0.60877%0.772SS**  cis1141286.100000111.1
531L32.5Very low36.1Very low179 Ų179130.7 Ų130.794%0.93777%0.771SS**  cis-152.3169.7-0.1-66.2170.2000108.1
532G30Very low36.2Very low64 Ų64129.7 Ų129.766%0.6677%0.765SS**  cis162.6127.1-8.900000113.7
533L31.8Very low36.3Very low178 Ų178131.3 Ų131.393%0.93276%0.763SS**  trans69.4160.3165.9-60.6176.1000120.9
534P54Low36.4Very low111 Ų111133.5 Ų133.572%0.72176%0.761SS**  trans-120.7-153.6-176.246.9-33.2000112
535P62.6Low36.2Very low113 Ų113135.3 Ų135.373%0.73476%0.757SS**  cis-127.1162.8-30.936.9-22.2000114.4
536R31.2Very low36.3Very low250 Ų250140 Ų14094%0.94376%0.76SS**  trans-171.7170.4147.9-106-149160.9176.8-5.2114.3
537P52Low36Very low99 Ų99141.3 Ų141.364%0.64376%0.763SS**  trans-119-159.6-162.744.9-35.4000115.9
538T30.3Very low36Very low137 Ų137140.2 Ų140.284%0.8476%0.762SS**  trans88.4147176.673.10000115.9
539S29.6Very low37Very low107 Ų107141 Ų14175%0.74877%0.766SS**  cis-168.5174.3-17.7175.50000110.6
540R31.4Very low36.5Very low228 Ų228141.8 Ų141.886%0.8677%0.765SS**  trans93.7134.8173.2-61.2-177.8173.8-163-0.5117.2
541K35.3Very low36.4Very low182 Ų182145.6 Ų145.679%0.79177%0.772SS**  cis-161.8161.5-19.2-131.5-173.9178.3-167.60112.1
542S33.3Very low36.4Very low83 Ų83144.2 Ų144.258%0.5877%0.765SS**  trans-2.3151.5154.9520000120.4
543Q32.7Very low36.4Very low164 Ų164149.8 Ų149.877%0.76677%0.774SS**  cis-160.713828.8-138.1153.2-40.500108.5
544Q34.8Very low36.6Very low153 Ų153148.6 Ų148.672%0.71577%0.768SS**  60.2132.164.3-119.5-168.714.800113.6
545Q31.8Very low35.5Very low152 Ų152151.2 Ų151.271%0.7178%0.775SS**  cis-138.8153.922.3-71.7162-2.100111.1
546Q32.5Very low34.3Very low172 Ų172152.3 Ų152.380%0.80478%0.775SS**  45.3138.685.4-62.1-176.5-12.700115
547T29Very low34.9Very low132 Ų132146 Ų14681%0.8177%0.767SS**  cis-143.6-157.934.151.60000115.1
548T34.7Very low33.9Very low131 Ų131148.6 Ų148.680%0.80477%0.772SS**  trans-146.5-174.2-173.857.20000110.3
549P58.1Low34Very low101 Ų101150.1 Ų150.166%0.65677%0.773SS**  cis-125.3-144.9-36.136.9-16.7000112.4
550F27.8Very low34.1Very low182 Ų182149.4 Ų149.480%0.79877%0.768SS**  trans80.8146.7174.2-68.7-72.2000117.4
551D29.5Very low34Very low140 Ų140147.5 Ų147.575%0.74977%0.768SS**  cis-153.6-172.6-16.7-148.1-13.4000111.8
552D31.7Very low33.9Very low149 Ų149146.1 Ų146.180%0.79777%0.768SS**  trans-52.4150.8173.3-109.7-24.6000116.5
553Q29.3Very low34.7Very low182 Ų182147.5 Ų147.585%0.8578%0.775SS**  -176.2160.4121-162.8152.87.200111.8
554L36.3Very low35.5Very low153 Ų153145.3 Ų145.380%0.80178%0.775SS**  trans-85.7159.3-179-49.189.1000113.1
555D31.7Very low36.2Very low165 Ų165143.4 Ų143.488%0.88278%0.776SS**  -165.2166.2110.8-129.1-32000114.8
556N37.6Very low37Very low136 Ų136141.3 Ų141.373%0.72778%0.776SS**  trans-158.4115.3176.5173.293.1000113.3
557P44.2Very low36.8Very low119 Ų119137.8 Ų137.877%0.77377%0.77SS**  trans-110.314116835.3-26.4000113.9
558M30.7Very low36.9Very low153 Ų153137 Ų13775%0.75477%0.77SS**  trans-82.1159.3164.3-68.6-131.4-53.900111.5
559I32.3Very low36.6Very low168 Ų168135.4 Ų135.486%0.86277%0.77SS**  trans-146144.9143.9-101.5151.6000108.6
560C30.3Very low35.3Very low93 Ų93135.5 Ų135.563%0.62878%0.779SS**  trans-128148.5169.2-57.20000108.2
561E30.4Very low35.4Very low187 Ų187130.6 Ų130.687%0.87477%0.772SS**  trans-161.8165.5159.8-94.6-76.5102.100106.9
562I32.4Very low35.4Very low153 Ų153132.9 Ų132.979%0.78578%0.778SS**  trans-127.5-143.7-162.8-34-179.3000113.4
563P50.9Low35.8Very low112 Ų112131.3 Ų131.373%0.72778%0.776SS**  trans-111.7-161.5-140.842.8-22.7000112.8
564P49.2Very low35.8Very low118 Ų118130.8 Ų130.877%0.76678%0.778SS**  cis-141-129.612.843.2-16.8000115.9
565P49.2Very low35.7Very low114 Ų114134.9 Ų134.974%0.7479%0.785SS**  trans-125.1-150.1-14241.5-15.3000112.1
566P48.3Very low35.7Very low108 Ų108134.3 Ų134.370%0.70178%0.776SS**  cis-139-176.8-7.437.9-15.5000117.7
567S30.1Very low35.5Very low98 Ų98134 Ų13469%0.68578%0.775SS**  trans68.1112.7143.458.10000124.4
568S29.6Very low35Very low116 Ų116134.7 Ų134.781%0.81178%0.777SS**  86.2142.6124.2720000123.9
569A29.9Very low35Very low96 Ų96130.8 Ų130.879%0.79378%0.776SS**  trans81.3100.9154.200000121.6
570A29.5Very low35Very low103 Ų103133.2 Ų133.285%0.85178%0.775SS**  trans28.7136.8139.100000120.9
571A30.6Very low35.2Very low80 Ų80139.4 Ų139.466%0.66179%0.786SS**  -175.9135.455.900000115
572H29.3Very low35.4Very low188 Ų188135.9 Ų135.987%0.8778%0.782SS**  trans59168.2157.3-60.5-63.1000119.6
573P40.9Very low35.6Very low116 Ų116134.8 Ų134.875%0.75378%0.782SS**  cis-120.1176.3-8.340.6-27000115.3
574L29.2Very low35.1Very low170 Ų170134.1 Ų134.189%0.8978%0.78SS**  trans-12122.3165.6-64.7161000119.3
575Y32.9Very low34.9Very low240 Ų240139.4 Ų139.494%0.94179%0.787SS**  trans-140.6147.6132.8-144.2-93.7000110
576E32Very low35.2Very low152 Ų152138.1 Ų138.171%0.7177%0.767SS**  trans-103.3159.9-167.6-144.3-172.4126.500112.6
577N34.4Very low35.4Very low131 Ų131135.9 Ų135.970%0.70175%0.754SS**  trans65.870.4161-63.7-57000119.9
578V33Very low37Very low133 Ų133135.9 Ų135.981%0.80675%0.754SS**  trans-127.968.1145.6-1690000110.9Y580V578-Y580 PolarHBondContact O-N 3.45Å
579G31.3Very low38.7Very low71 Ų71137.8 Ų137.873%0.73274%0.744SS**  trans-78.597177.500000112.8R581G579-R581 PolarHBondContact O-N 2.71Å
580Y32.4Very low40.5Very low218 Ų218140 Ų14086%0.85573%0.732SS**  trans-63.185.2176.2-118.5-88.7000112.1V578 S582V578-Y580 PolarHBondContact O-N 3.45Å; Y580-S582 PolarHBondContact O-N 2.89Å
581R33.4Very low42.4Very low224 Ų224139.2 Ų139.285%0.84571%0.711SS**  trans-77.799.8167.7-74.6-163.2179.8-79.4-1.1109.5G579 T583G579-R581 PolarHBondContact O-N 2.71Å; R581-T583 PolarHBondContact O-N 3.34Å
582S34.7Very low44.2Very low113 Ų113138.9 Ų138.979%0.7971%0.708SS**  trans-65.591.3175.3-171.30000111.6Y580 S584Y580-S582 PolarHBondContact O-N 2.89Å; S582-S584 PolarHBondContact O-N 3.32Å
583T36.2Very low45.5Very low129 Ų129135.1 Ų135.179%0.79169%0.691SS**  trans-91.476.2173.544.30000110R581 Y585R581-T583 PolarHBondContact O-N 3.34Å; T583-Y585 PolarHBondContact O-N 3.03Å; T583-Y585 VanDerWaalsContact O-N 3.1Å
584S41.9Very low46.6Very low98 Ų98137.1 Ų137.169%0.68568%0.684SS**  trans-54.3117.6177.661.80000111.3S582 R586S582-S584 PolarHBondContact O-N 3.32Å; S584-R586 PolarHBondContact O-N 3.3Å
585Y43.7Very low48.6Very low230 Ų230133.4 Ų133.490%0.90267%0.67SS**  trans-58.8110.3-177.5-172.9-89000111.2T583T583-Y585 PolarHBondContact O-N 3.03Å; T583-Y585 VanDerWaalsContact O-N 3.1Å
586R55.9Low50.6Low86 Ų86124.7 Ų124.733%0.32564%0.642SS.*  trans-108.1119.7-175-152.2178.8-162.6-114.3-1.7108.7S584 R590 Y594 D599S584-R586 PolarHBondContact O-N 3.3Å; R586-R590 HydrophobicContact CG-CB 4.41Å; R586-Y594 PolarHBondContact NH1-O 2.69Å; R586-D599 IonicContact NH1-OD2 3.33Å; R586-D599 PolarHBondContact NH1-OD2 2.89Å
587S53Low51.9Low62 Ų62123.7 Ų123.743%0.43464%0.64SS.*  trans-64.6143-177.857.60000112.1Y589 R590 Q591S587-Y589 PolarHBondContact O-N 3.31Å; S587-Y589 VanDerWaalsContact O-N 3.17Å; S587-R590 WeakPolarHBondContact O-CB 3.22Å; S587-R590 PolarHBondContact O-N 3.26Å; S587-Q591 PolarHBondContact O-N 3.03Å
588S63.9Low53.3Low97 Ų97124.9 Ų124.968%0.67864%0.642SS**Hα-helixtrans-56.9-34.9-177.559.70000112.9R590 Q591 A592S588-R590 VanDerWaalsContact C-N 3.28Å; S588-R590 PolarHBondContact O-N 2.87Å; S588-Q591 PolarHBondContact O-N 3.02Å; S588-A592 PolarHBondContact O-N 3.08Å
589Y65.1Low55.1Low156 Ų156119.5 Ų119.561%0.61261%0.608SS**Hα-helixtrans-55.1-39.2172.9-172.5-93.2000112.9S587 H593S587-Y589 PolarHBondContact O-N 3.31Å; S587-Y589 VanDerWaalsContact O-N 3.17Å; Y589-H593 AromaticContact CD2-CD2 3.54Å; Y589-H593 AromaticContact CD2-NE2 3.81Å; Y589-H593 AromaticContact CE2-CD2 3.36Å; Y589-H593 WeakPolarHBondContact CE2-CD2 3.25Å; Y589-H593 AromaticContact CE2-NE2 3.51Å; Y589-H593 AromaticContact CG-CD2 3.94Å; Y589-H593 AromaticContact CZ-CD2 3.61Å; Y589-H593 PolarHBondContact O-CD2 2.94Å; Y589-H593 VanDerWaalsContact O-CD2 3.32Å; Y589-H593 PolarHBondContact O-N 3Å; Y589-H593 VanDerWaalsContact O-N 3.13Å
590R67.5Low56.6Low142 Ų142120.1 Ų120.154%0.53659%0.592SS.*Hα-helixtrans-70-33.7174.9-102.1-174.7177.5-91.86.7112.4R586 S587 S588 Y594R586-R590 HydrophobicContact CG-CB 4.41Å; S587-R590 WeakPolarHBondContact O-CB 3.22Å; S587-R590 PolarHBondContact O-N 3.26Å; S588-R590 VanDerWaalsContact C-N 3.28Å; S588-R590 PolarHBondContact O-N 2.87Å; R590-Y594 CarbonylContact O-C 3.59Å; R590-Y594 VanDerWaalsContact O-CA 3.31Å; R590-Y594 WeakPolarHBondContact O-CA 3.47Å; R590-Y594 PolarHBondContact O-N 2.61Å; R590-Y594 VanDerWaalsContact O-O 3.05Å
591Q69.8Low58.2Low88 Ų88114.9 Ų114.941%0.41158%0.575SS.*Hα-helixtrans-75.1-34.2177-65.7-175.9-63.200112.3S587 S588 P595 D599S587-Q591 PolarHBondContact O-N 3.03Å; S588-Q591 PolarHBondContact O-N 3.02Å; Q591-P595 WeakPolarHBondContact O-CG 3.47Å; Q591-D599 PolarHBondContact NE2-OD1 3.47Å
592A67.6Low59.8Low72 Ų72108.5 Ų108.560%0.59556%0.561SS**Hα-helixtrans-72.3-38.4177.700000113.3S588S588-A592 PolarHBondContact O-N 3.08Å
593H57.1Low61.2Low110 Ų110109.9 Ų109.951%0.50956%0.555SS.*Hα-helixtrans-106-16.8-174.6-61.4-64.8000114.9Y589Y589-H593 AromaticContact CD2-CD2 3.54Å; Y589-H593 AromaticContact CD2-NE2 3.81Å; Y589-H593 AromaticContact CE2-CD2 3.36Å; Y589-H593 WeakPolarHBondContact CE2-CD2 3.25Å; Y589-H593 AromaticContact CE2-NE2 3.51Å; Y589-H593 AromaticContact CG-CD2 3.94Å; Y589-H593 AromaticContact CZ-CD2 3.61Å; Y589-H593 PolarHBondContact O-CD2 2.94Å; Y589-H593 VanDerWaalsContact O-CD2 3.32Å; Y589-H593 PolarHBondContact O-N 3Å; Y589-H593 VanDerWaalsContact O-N 3.13Å
594Y64.1Low62.4Low158 Ų158110.8 Ų110.862%0.6254%0.544SS*.SBendtrans-13967.3174.6-60.3-82.9000111.7R586 R590R586-Y594 PolarHBondContact NH1-O 2.69Å; R590-Y594 CarbonylContact O-C 3.59Å; R590-Y594 VanDerWaalsContact O-CA 3.31Å; R590-Y594 WeakPolarHBondContact O-CA 3.47Å; R590-Y594 PolarHBondContact O-N 2.61Å; R590-Y594 VanDerWaalsContact O-O 3.05Å
595P69.7Low63.2Low92 Ų92113.6 Ų113.660%0.59754%0.544SS*.  trans-60.2146.4175.1-14.827.8000111.2Q591Q591-P595 WeakPolarHBondContact O-CG 3.47Å
596T74.9Confident63.8Low56 Ų56112.2 Ų112.234%0.34454%0.537SS..  trans-113.3161.4171.568.80000110.7Q598 D599 E600T596-Q598 PolarHBondContact O-N 2.97Å; T596-D599 WeakPolarHBondContact CB-OD2 3.34Å; T596-D599 PolarHBondContact N-OD2 2.9Å; T596-D599 WeakPolarHBondContact O-CB 3.38Å; T596-D599 PolarHBondContact O-N 2.84Å; T596-D599 PolarHBondContact OG1-OD2 2.66Å; T596-E600 PolarHBondContact O-N 2.83Å
597I59.4Low63.6Low131 Ų131111 Ų11167%0.67255%0.545SS*.Hα-helixtrans-57.2-24.3179.6-63.8170.1000112.2H601I597-H601 PolarHBondContact O-N 3.23Å; I597-H601 PolarHBondContact O-ND1 3.07Å
598Q65.6Low63.5Low157 Ų157115.2 Ų115.273%0.73456%0.558SS**Hα-helixtrans-78.3-33.7174.4-67.1179.3-15.700113.3T596 E600 T602T596-Q598 PolarHBondContact O-N 2.97Å; Q598-E600 VanDerWaalsContact C-N 3.32Å; Q598-T602 PolarHBondContact O-N 3.22Å; Q598-T602 PolarHBondContact O-OG1 3.01Å
599D70.2Confident62.6Low20 Ų20115.3 Ų115.311%0.10756%0.559CS.*Hα-helixtrans-62.8-42.3174.3-62.9-74.2000109.8R586 Q591 T596 T602 Q603R586-D599 IonicContact NH1-OD2 3.33Å; R586-D599 PolarHBondContact NH1-OD2 2.89Å; Q591-D599 PolarHBondContact NE2-OD1 3.47Å; T596-D599 WeakPolarHBondContact CB-OD2 3.34Å; T596-D599 PolarHBondContact N-OD2 2.9Å; T596-D599 WeakPolarHBondContact O-CB 3.38Å; T596-D599 PolarHBondContact O-N 2.84Å; T596-D599 PolarHBondContact OG1-OD2 2.66Å; D599-T602 WeakPolarHBondContact O-CB 3.25Å; D599-T602 PolarHBondContact O-N 3.43Å; D599-Q603 PolarHBondContact O-N 3.03Å
600E63.5Low61.6Low83 Ų83111.4 Ų111.439%0.38856%0.559SS.*Hα-helixtrans-61.9-47.1179.4-166.7-168.3168.400112.6T596 Q598 T602 Q603 R604T596-E600 PolarHBondContact O-N 2.83Å; Q598-E600 VanDerWaalsContact C-N 3.32Å; E600-T602 PolarHBondContact O-N 3.03Å; E600-Q603 PolarHBondContact O-N 3.49Å; E600-R604 WeakPolarHBondContact O-CG 3.41Å; E600-R604 PolarHBondContact O-N 3.45Å; E600-R604 IonicContact OE1-CZ 3.49Å; E600-R604 IonicContact OE1-NE 3.9Å; E600-R604 PolarHBondContact OE1-NE 3.23Å; E600-R604 IonicContact OE1-NH2 2.67Å; E600-R604 PolarHBondContact OE1-NH2 2.97Å
601H64.3Low60.6Low109 Ų109112.3 Ų112.351%0.50557%0.569SS.*Hα-helixtrans-61.3-32176-79.478.1000112.5I597 K605I597-H601 PolarHBondContact O-N 3.23Å; I597-H601 PolarHBondContact O-ND1 3.07Å; H601-K605 PolarHBondContact O-N 3.42Å
602T67.8Low59.1Low89 Ų89112.8 Ų112.855%0.54658%0.582SS.*Hα-helixtrans-75.1-37.2178.3-54.30000111.6Q598 D599 E600 R606Q598-T602 PolarHBondContact O-N 3.22Å; Q598-T602 PolarHBondContact O-OG1 3.01Å; D599-T602 WeakPolarHBondContact O-CB 3.25Å; D599-T602 PolarHBondContact O-N 3.43Å; E600-T602 PolarHBondContact O-N 3.03Å; T602-R606 PolarHBondContact O-N 2.98Å
603Q63.7Low57.4Low142 Ų142117.7 Ų117.766%0.66460%0.596SS**Hα-helixtrans-65.2-46172.2-73.1-179.7-13.600112D599 E600 K605 R606 A607D599-Q603 PolarHBondContact O-N 3.03Å; E600-Q603 PolarHBondContact O-N 3.49Å; Q603-K605 VanDerWaalsContact C-N 3.33Å; Q603-K605 PolarHBondContact O-N 3.29Å; Q603-R606 PolarHBondContact O-N 2.86Å; Q603-R606 VanDerWaalsContact O-N 3.12Å; Q603-A607 PolarHBondContact O-N 3.26Å
604R62.2Low56.3Low149 Ų149117.7 Ų117.756%0.56261%0.609SS**Hα-helixtrans-56.2-45176.7-69.8177.6-176-1485.2111.9E600 A607 Q608E600-R604 WeakPolarHBondContact O-CG 3.41Å; E600-R604 PolarHBondContact O-N 3.45Å; E600-R604 IonicContact OE1-CZ 3.49Å; E600-R604 IonicContact OE1-NE 3.9Å; E600-R604 PolarHBondContact OE1-NE 3.23Å; E600-R604 IonicContact OE1-NH2 2.67Å; E600-R604 PolarHBondContact OE1-NH2 2.97Å; R604-A607 PolarHBondContact O-N 3.45Å; R604-Q608 WeakPolarHBondContact O-CG 3.35Å; R604-Q608 PolarHBondContact O-N 3.37Å
605K58.9Low55Low157 Ų157116.5 Ų116.568%0.68362%0.618SS**Hα-helixtrans-66-37.5175.7-73.8-172.4175.6-169.20113.4H601 Q603 Q608 S609H601-K605 PolarHBondContact O-N 3.42Å; Q603-K605 VanDerWaalsContact C-N 3.33Å; Q603-K605 PolarHBondContact O-N 3.29Å; K605-Q608 PolarHBondContact O-N 3.12Å; K605-S609 PolarHBondContact O-N 2.9Å
606R55.7Low53.3Low200 Ų200119.6 Ų119.676%0.75563%0.63SS**Hα-helixtrans-65.3-40.2176.5-176.7174.5-70.9-157.7-2.9112.1T602 Q603 S609T602-R606 PolarHBondContact O-N 2.98Å; Q603-R606 PolarHBondContact O-N 2.86Å; Q603-R606 VanDerWaalsContact O-N 3.12Å; R606-S609 PolarHBondContact O-N 3.37Å
607A52.6Low51.3Low61 Ų61124.5 Ų124.550%0.50465%0.654SS.*Hα-helixtrans-63-42.3176.900000112.1Q603 R604 S609 A610Q603-A607 PolarHBondContact O-N 3.26Å; R604-A607 PolarHBondContact O-N 3.45Å; A607-S609 VanDerWaalsContact C-N 3.27Å; A607-S609 PolarHBondContact O-N 2.99Å; A607-A610 PolarHBondContact O-N 3.45Å
608Q49.6Very low49.7Very low150 Ų150122 Ų12270%0.70166%0.661SS**Hα-helixtrans-66.2-27.3177.6-70.6172.9-2600113.3R604 K605 A610R604-Q608 WeakPolarHBondContact O-CG 3.35Å; R604-Q608 PolarHBondContact O-N 3.37Å; K605-Q608 PolarHBondContact O-N 3.12Å; Q608-A610 VanDerWaalsContact C-N 3.3Å; Q608-A610 PolarHBondContact O-N 3.3Å
609S44.7Very low48Very low99 Ų99119.1 Ų119.169%0.69266%0.664SS**THydrogen-bonded Turntrans-77.9-7178.6-1710000114.6K605 R606 A607K605-S609 PolarHBondContact O-N 2.9Å; R606-S609 PolarHBondContact O-N 3.37Å; A607-S609 VanDerWaalsContact C-N 3.27Å; A607-S609 PolarHBondContact O-N 2.99Å
610A45.3Very low46.2Very low74 Ų74125.3 Ų125.361%0.61270%0.702SS**THydrogen-bonded Turntrans-91.81.5-173.300000114.6A607 Q608A607-A610 PolarHBondContact O-N 3.45Å; Q608-A610 VanDerWaalsContact C-N 3.3Å; Q608-A610 PolarHBondContact O-N 3.3Å
611H45.8Very low44.6Very low162 Ų162124.8 Ų124.875%0.7572%0.719SS**SBendtrans-12254.7-173.3-66.2-61.6000112.3
612S38Very low43Very low98 Ų98131 Ų13169%0.68574%0.738SS**  trans-154.6151.1174-69.40000110.3
613I33Very low41.2Very low174 Ų174133 Ų13389%0.89275%0.75SS**  trans74.7124.9-167.9-51.1166.3000111.4
614S33.3Very low39.5Very low111 Ų111131.5 Ų131.578%0.77676%0.755SS**  cis-139.5158.4-1.4-156.10000112.2
615T37.3Very low37.9Very low133 Ų133130.4 Ų130.482%0.81677%0.765SS**  trans-105147.6166.850.10000110.6
616D33Very low36.4Very low157 Ų157132.9 Ų132.984%0.8477%0.772SS**  trans-154.8164.9146.5-146.7-17.2000111.3
617N33.4Very low35.1Very low159 Ų159127.8 Ų127.885%0.8577%0.766SS**  trans-107.7149.8-171.4-67-68.5000113.1
618G26.2Very low33.9Very low79 Ų79130.9 Ų130.981%0.81478%0.779SS**  trans178.8107.1170.900000114.6
619A30.2Very low33.5Very low96 Ų96129.1 Ų129.179%0.79378%0.78SS**  trans-59135.6-172.800000116.5
620T32.8Very low33.1Very low150 Ų150131.7 Ų131.792%0.9279%0.785SS**  172.7161.7119.831.70000111.2
621G28.6Very low32.4Very low71 Ų71135.7 Ų135.773%0.73280%0.797SS**  trans113.616.1135.600000124.3
622R30.8Very low32Very low241 Ų241135.6 Ų135.691%0.90980%0.802SS**  trans65.8156.6151.5-129.1178.8-172.3-176.51.4120.2
623T29.7Very low31.5Very low130 Ų130136.1 Ų136.180%0.79881%0.812SS**  trans70.9116.2173.868.60000116.9
624S28.5Very low31.4Very low110 Ų110132.2 Ų132.277%0.76981%0.805SS**  87117.864.6-160.70000110.7
625T28.8Very low31.2Very low126 Ų126135.7 Ų135.777%0.77381%0.81SS**  cis-13316321.343.20000114.9
626Y27.6Very low30.9Very low210 Ų210137.8 Ų137.882%0.82481%0.807SS**  trans-79158.9162.4-78-121000109.1
627S28.8Very low30.7Very low92 Ų92138.6 Ų138.664%0.64380%0.804SS**  cis63.9150.741.377.40000113.9
628V26.9Very low30.6Very low127 Ų127141.6 Ų141.677%0.7780%0.803SS**  cis-129.8-106.214.1-145.30000115.3
629P41.6Very low30.8Very low112 Ų112145.2 Ų145.273%0.72780%0.799SS**  -120.5-178.4-106.739.3-27.3000117.8
630L36.5Very low30.8Very low153 Ų153151.5 Ų151.580%0.80180%0.804SS**  trans-55.7157.5161.7-7366.3000112.7
631N29.7Very low31Very low158 Ų158150.4 Ų150.485%0.84579%0.792SS**  -163.7172.4118.3-114.97000114.1
632D36.8Very low31.3Very low161 Ų161156.1 Ų156.186%0.86179%0.793SS**  trans-57.7153.4179.4-76-60.7000115.3
633A28.8Very low31.6Very low109 Ų109152.3 Ų152.390%0.90179%0.791SS**  trans-145.5120.315600000110.9
634A30Very low32.1Very low91 Ų91152.5 Ų152.575%0.75279%0.787SS**  trans-120.2148.2168.600000109.9
635Q30.2Very low32.6Very low185 Ų185156 Ų15686%0.86479%0.791SS**  trans56.8112.8167.5-60.1-178.1-8.300118.6
636K31.1Very low33Very low176 Ų176158.4 Ų158.477%0.76579%0.793SS**  trans163.7154135.7-91.8161.7173.5-174.40109.3
637F26.9Very low33.2Very low175 Ų175155.5 Ų155.577%0.76879%0.792SS**  cis-145.6170.21.9-122.8-49.8000109.5
638R31.7Very low33.3Very low222 Ų222156.1 Ų156.184%0.83880%0.797SS**  trans-66.5166.1156.6-84.2-177174174.6-5.1108.9
639E30.6Very low33.8Very low154 Ų154155.9 Ų155.972%0.7280%0.796SS**  168.7139.478.8-170.6147.9-92.900109
640Y30.2Very low33.9Very low228 Ų228155.9 Ų155.989%0.89480%0.795SS**  trans-177.1143.3135.8-107.8-70.9000109.7
641D36.7Very low33.6Very low128 Ų128154.2 Ų154.268%0.68479%0.792SS**  trans-87147.1-173.6-70.9-61.1000111.7
642Y36Very low33.7Very low191 Ų191153.5 Ų153.575%0.74979%0.785SS**  81.9124.365.5-127.3-61000112.9
643D36.7Very low33.2Very low160 Ų160151.8 Ų151.886%0.85678%0.776SS**  trans-159.6153.5157.6-101.7-35.1000107.7
644D39.9Very low33.1Very low135 Ų135153 Ų15372%0.72277%0.767SS**  trans-92.6173.8-163.2-73.9-54.3000116.1
645E38.9Very low33.8Very low183 Ų183153.9 Ų153.986%0.85577%0.765SS**  -170.2158.4124.2-99.6-59171.700112.4
646E36.8Very low33.8Very low176 Ų176149.1 Ų149.182%0.82275%0.752SS**  trans-98.2140.7-160.4-75-164.4137.300118.7
647D33.5Very low33.9Very low149 Ų149148.3 Ų148.380%0.79775%0.751SS**  trans52.2175.3132.2-153.725.3000123.6
648S29.9Very low34.2Very low106 Ų106146.9 Ų146.974%0.74175%0.75SS**  trans99.2116.6167.6-62.10000118.2
649T36.9Very low34.3Very low122 Ų122142.9 Ų142.975%0.74874%0.744SS**  trans-103.5170.5167.256.80000110.9
650P43.2Very low34.3Very low111 Ų111142.3 Ų142.372%0.72175%0.746SS**  -143.6168.6103.743.5-30.5000112.8
651T30.7Very low34.3Very low118 Ų118136.8 Ų136.872%0.72474%0.735SS**  cis65.9141.334.6400000115.9
652M32.1Very low34Very low143 Ų143140.9 Ų140.970%0.70474%0.741SS**  cis-116.2-152.4-15.4-59.2-161.7-61.500109.9L654M652-L654 HydrophobicContact CE-CD1 4.13Å; M652-L654 HydrophobicContact SD-CD1 4.35Å
653D26.1Very low33.7Very low125 Ų125142 Ų14267%0.66874%0.744SS**  cis-153.1134.532.1-92.1-61.4000110
654L28Very low33.3Very low135 Ų135140.2 Ų140.271%0.70773%0.734SS**  67.3155.292.9-100.274000116.5M652M652-L654 HydrophobicContact CE-CD1 4.13Å; M652-L654 HydrophobicContact SD-CD1 4.35Å
655P43.2Very low32.7Very low109 Ų109139.4 Ų139.471%0.70873%0.734SS**  cis-131.4176.2-13.630.8-8.9000116.4
656S31.3Very low32.1Very low86 Ų86136.9 Ų136.960%0.60174%0.737SS**  trans-66-172.1175.339.90000115.7
657H33.1Very low31.9Very low159 Ų159133.6 Ų133.674%0.73673%0.733SS**  cis-143.4-159.223.5-55.2-107.2000110.9
658L33.1Very low31.6Very low145 Ų145134.3 Ų134.376%0.75974%0.735SS**  cis-152.5138.426.6-74.3169.3000113.6
659I32.8Very low31.5Very low138 Ų138133.8 Ų133.871%0.70873%0.732SS**  42.9123.3121.9-53.9-177.9000117.4
660N31.5Very low31.1Very low142 Ų142133.2 Ų133.276%0.75973%0.732SS**  -170.8-178.352.3-133.7-12.7000110.8
661V30.4Very low30.3Very low111 Ų111136.7 Ų136.767%0.67374%0.738SS**  cis-155.1155.5-577.30000113.5
662R30.4Very low30.1Very low215 Ų215136.1 Ų136.181%0.81175%0.746SS**  trans-13.5146.2163.4-67.1172.7174.2162.2-0.4125.8
663R29.5Very low29.9Very low213 Ų213132.6 Ų132.680%0.80475%0.746SS**  105.7117126.1-90.4179.3174.2-131.70.6123.5
664L27.9Very low29.9Very low123 Ų123136.9 Ų136.964%0.64476%0.759SS**  74.2110.5127.2-67.9169.4000125
665T27.4Very low29.8Very low119 Ų119135.1 Ų135.173%0.7376%0.763SS**  33.7127.2122.5630000122.8
666S27.5Very low29.3Very low130 Ų130136.5 Ų136.591%0.90977%0.77SS**  -179169.6112.252.80000112.7
667S30.9Very low29.1Very low106 Ų106137.3 Ų137.374%0.74178%0.782SS**  trans-120.8151.2-171.354.90000113.4
668I27.6Very low29Very low165 Ų165135.4 Ų135.485%0.84679%0.787SS**  trans178.8123.4158.3-98.6149000107.1
669S27.5Very low28.8Very low95 Ų95136.6 Ų136.666%0.66479%0.793SS**  59.8138.579.1-151.20000113.9
670C28.4Very low28.9Very low110 Ų110135.1 Ų135.174%0.74379%0.787SS**  cis-119.1174.20.7-63.90000109.7
671Q26.2Very low28.9Very low183 Ų183139 Ų13986%0.85579%0.79SS**  cis89.1130.916.2-166.9172.1-14.800117.1
672A28.5Very low29Very low107 Ų107142.8 Ų142.888%0.88479%0.793SS**  trans68.6142.7-175.200000117
673G27.1Very low29Very low69 Ų69142.8 Ų142.871%0.71179%0.794SS**  cis-167-176.8-0.200000115.1
674F25.4Very low29.1Very low215 Ų215137.5 Ų137.594%0.94379%0.79SS**  trans-48.7162.2-179.1-55.4-92.7000114.8
675A26.9Very low29.2Very low97 Ų97141.2 Ų141.280%0.80280%0.801SS**  cis-163.9-175.442.100000115.6
676T32Very low29.1Very low138 Ų138143.9 Ų143.985%0.84781%0.81SS**  trans-96.2150.2-179.753.60000113.7
677A26.7Very low29.3Very low104 Ų104145.2 Ų145.286%0.8681%0.807SS**  trans-177.1150.8135.400000112.9
678S32.3Very low29.1Very low118 Ų118143.7 Ų143.783%0.82581%0.808SS**  trans-92.4160.6164.7-51.20000110.7
679L28.2Very low29Very low171 Ų171139.7 Ų139.790%0.89581%0.808SS**  trans-161.2160.9137.1-112.4169.9000113.6
680D33.9Very low29.1Very low107 Ų107146.2 Ų146.257%0.57282%0.818SS**  trans-121.3144.3179.7152.960.5000109
681R31.9Very low29.3Very low222 Ų222148.5 Ų148.584%0.83882%0.822SS**  trans-171.8-179.4146.2-106158.8-163.3-130.43.7115
682R33Very low29.4Very low191 Ų191144.8 Ų144.872%0.72182%0.816SS**  trans-129.8-171.2-154.1-61.5171.1-74.7-163.1-3.9111.4
683Y31.1Very low29.5Very low216 Ų216145.6 Ų145.685%0.84782%0.815SS**  trans86.9146.4171.5-78.2-116.1000116.4
684S30.3Very low29.5Very low102 Ų102146.1 Ų146.171%0.71382%0.82SS**  cis-162.8-176.3-17.2-122.20000114.4
685K30.1Very low29.6Very low200 Ų200139.8 Ų139.887%0.8782%0.815SS**  trans-60.7160.4-175.8-59.6176176.4178.40117.1
686L26.2Very low29.7Very low176 Ų176139.1 Ų139.192%0.92182%0.818SS**  trans-143172.6138.3-118.1165.5000110.7
687N30.3Very low29.6Very low157 Ų157136.1 Ų136.184%0.8482%0.815SS**  trans-157.1146.4-158.6-175.336000113.6
688G28.6Very low29.7Very low75 Ų75136.8 Ų136.877%0.77381%0.813SS**  trans122.5127.815900000118.2
689G25.2Very low29.6Very low81 Ų81139 Ų13984%0.83582%0.816SS**  trans169144.6172.500000111
690R29.7Very low29.7Very low232 Ų232138 Ų13888%0.87581%0.811SS**  trans-138.4163.3-170.2-86.1-172161.3-149.9-0.2114.4
691L30.8Very low29.6Very low158 Ų158139.1 Ų139.183%0.82782%0.822SS**  trans80.2131.1163.6-46-175.5000115.2
692S28.7Very low29.5Very low105 Ų105133.6 Ų133.673%0.73481%0.812SS**  cis-172.9156.921.3-168.90000112.1
693S31Very low29.4Very low123 Ų123135.3 Ų135.386%0.8682%0.819SS**  trans63.1152.4162.272.70000119.7
694G27.1Very low29.5Very low80 Ų80132.8 Ų132.883%0.82582%0.815SS**  trans161.5-35.2165.600000120.1
695G28.3Very low29.4Very low82 Ų82135.4 Ų135.485%0.84582%0.821SS**  trans74.4163.4175.500000117.6
696G29.1Very low29.4Very low83 Ų83131.4 Ų131.486%0.85681%0.813SS**  trans78.787.9162.500000118.2
697G28.1Very low29.5Very low75 Ų75129.3 Ų129.377%0.77381%0.807SS**  trans-87.1173.114700000110.4
698S30.4Very low29.7Very low118 Ų118127 Ų12783%0.82580%0.8SS**  cis-175.1133.1-8.145.40000108
699D30Very low29.6Very low166 Ų166134.4 Ų134.489%0.88880%0.804SS**  trans-145.3128172.9-120.6-28.9000111.4
700D30Very low29.9Very low149 Ų149136.9 Ų136.980%0.79780%0.797SS**  trans-98.4108.1-169.5-119.9-39000111.2V702D700-V702 VanDerWaalsContact C-N 3.26Å; D700-V702 PolarHBondContact O-N 3.22Å
701V31.8Very low29.9Very low131 Ų131132.1 Ų132.179%0.79479%0.793SS**  trans-82.468.6-177.8-1720000111.4R703V701-R703 PolarHBondContact O-N 3.49Å
702V30.2Very low30.1Very low106 Ų106130.1 Ų130.164%0.64279%0.788SS**  trans-80.298172.1-179.40000110.2D700 Q704D700-V702 VanDerWaalsContact C-N 3.26Å; D700-V702 PolarHBondContact O-N 3.22Å; V702-Q704 HydrophobicContact CG1-CG 4.39Å; V702-Q704 PolarHBondContact O-N 2.97Å
703R31.4Very low30Very low227 Ų227134.9 Ų134.986%0.85780%0.796SS**  trans-64.7123.6169.6-70.5178171.3177.1-3.3110.9V701V701-R703 PolarHBondContact O-N 3.49Å
704Q31.7Very low30.2Very low163 Ų163135 Ų13576%0.76279%0.794SS**  trans-121116.3160.8-67.7-163.8200111.1V702V702-Q704 HydrophobicContact CG1-CG 4.39Å; V702-Q704 PolarHBondContact O-N 2.97Å
705N28.8Very low30.3Very low157 Ų157137.4 Ų137.484%0.8479%0.792SS**  trans-82.8121.7170.2-69.8-19.2000109.2
706V30.1Very low30.3Very low116 Ų116138.1 Ų138.170%0.70379%0.79SS**  trans-115.393.7171.6-177.10000109.7T708V706-T708 HydrophobicContact CG1-CG2 4.41Å; V706-T708 PolarHBondContact O-N 3.22Å
707T28.9Very low30.3Very low131 Ų131140.6 Ų140.680%0.80479%0.789SS**  trans-83.297.6175.8-56.10000110.4R709T707-R709 PolarHBondContact O-N 3.43Å
708T33.2Very low30.3Very low110 Ų110142.8 Ų142.868%0.67579%0.792SS**  trans-78.5108.9172.339.20000111.3V706 I710V706-T708 HydrophobicContact CG1-CG2 4.41Å; V706-T708 PolarHBondContact O-N 3.22Å; T708-I710 PolarHBondContact O-N 3.18Å
709R27.3Very low30.4Very low230 Ų230142.5 Ų142.587%0.86880%0.797SS**  trans-70.9118.3163-83-174.6168.7-164.8-2.7109.4T707T707-R709 PolarHBondContact O-N 3.43Å
710I30.9Very low30.3Very low133 Ų133139 Ų13968%0.68279%0.792SS**  trans-113.8116.4164.6-62.1175.6000107.6T708 T712T708-I710 PolarHBondContact O-N 3.18Å; I710-T712 HydrophobicContact CG2-CG2 4.07Å
711T29.9Very low30.4Very low131 Ų131138.3 Ų138.380%0.80479%0.793SS**  trans-112.598.8174.950.30000109.1
712T34.8Very low30.3Very low117 Ų117137.9 Ų137.972%0.71879%0.79SS**  trans-132.6128.2177.147.40000109.8I710I710-T712 HydrophobicContact CG2-CG2 4.07Å
713F27.3Very low30.2Very low204 Ų204140.1 Ų140.190%0.89580%0.797SS**  trans-72.3137.3173-67.1-94.6000110V715F713-V715 PolarHBondContact O-N 2.91Å
714P35.3Very low30.2Very low126 Ų126137 Ų13782%0.81880%0.796SS**  trans-79.1111.4172.530.8-31.7000110.6
715V28.6Very low30.1Very low130 Ų130135.1 Ų135.179%0.78880%0.801SS**  trans-77.7137154175.40000107.2F713F713-V715 PolarHBondContact O-N 2.91Å
716A29.2Very low30.1Very low98 Ų98131 Ų13181%0.8180%0.796SS**  trans-81134.2178.200000111
717T27.8Very low30.2Very low135 Ų135135.1 Ų135.183%0.82881%0.805SS**  trans-131.3149.5166.844.20000110.2
718S29.3Very low31Very low121 Ų121133.9 Ų133.985%0.84680%0.799SS**  trans-73.2165.3-169.6-65.10000114
719A32.8Very low30.8Very low111 Ų111140 Ų14092%0.91781%0.811SS**  trans-60.1141.7-17300000114.2
720A28Very low30.8Very low94 Ų94134 Ų13478%0.77781%0.805SS**  trans-127.2135.916500000109.6
721T30.5Very low31.2Very low134 Ų134132.9 Ų132.982%0.82282%0.815SS**  trans-76.5128-174.3-55.60000111.6I723T721-I723 PolarHBondContact O-N 2.93Å
722V29.7Very low31.5Very low122 Ų122131 Ų13174%0.73981%0.807SS**  trans-81.1110.9171.1178.90000109.6L724V722-L724 HydrophobicContact CG1-CG 4.41Å
723I28.4Very low31.7Very low152 Ų152134.3 Ų134.378%0.77982%0.815SS**PPolyproline II helixtrans-90.3121.8165.9-62.2175.8000107.5T721T721-I723 PolarHBondContact O-N 2.93Å
724L32Very low32Very low161 Ų161132.5 Ų132.584%0.84381%0.813SS**PPolyproline II helixtrans-90.2134.1171.1-76.4169.7000110.2V722V722-L724 HydrophobicContact CG1-CG 4.41Å
725S30Very low31.8Very low124 Ų124131.9 Ų131.987%0.86781%0.81SS**PPolyproline II helixtrans-91.1134179.545.50000111.8
726G28.3Very low32Very low72 Ų72137 Ų13774%0.74282%0.815SS**  trans-156.5140.1173.900000111
727K31.6Very low32.1Very low201 Ų201142.1 Ų142.187%0.87482%0.819SS**  trans-149.6161.8176.8-64.2-173.6177.9-1790108.4
728P45.4Very low32.4Very low106 Ų106144 Ų14469%0.68882%0.819SS**  -135143.4-56.136.1-21.2000111.2
729Y29.8Very low32.9Very low237 Ų237143.3 Ų143.393%0.92981%0.811SS**  trans-141.3146.3169.7-89.7-72.3000114.6
730S27.1Very low33.2Very low106 Ų106143.9 Ų143.974%0.74181%0.806SS**  trans1.2138.5177-145.10000121.2
731A39.9Very low33.8Very low108 Ų108144.9 Ų144.989%0.89380%0.804SS**  trans-102.483.9175.500000112.3
732S36.9Very low34Very low91 Ų91144.4 Ų144.464%0.63680%0.803SS**  trans-157.6142.8165.753.10000110.8
733E37.6Very low34.3Very low187 Ų187145.8 Ų145.887%0.87481%0.811SS**  trans63.783.5168.9-54.4-166.5132.600118.6
734L33Very low34.4Very low166 Ų166142.8 Ų142.887%0.86981%0.81SS**  trans-138145.8145.3-82.6-178.8000110.2R736L734-R736 PolarHBondContact O-N 3.46Å
735P32.8Very low34.3Very low114 Ų114146.3 Ų146.374%0.7481%0.812SS**  trans-74120.7-176.429.2-34.3000112F737P735-F737 PolarHBondContact O-N 3.42Å
736R31.5Very low34.3Very low238 Ų238146.9 Ų146.990%0.89881%0.81SS**  trans-84.698176.9-178.2177.7-75165.5-3.6110.8L734L734-R736 PolarHBondContact O-N 3.46Å
737F32Very low34.5Very low205 Ų205148.8 Ų148.890%0.89981%0.807SS**  trans-60.2138.8162.7-101.2-93.9000110.4P735P735-F737 PolarHBondContact O-N 3.42Å
738Q34.4Very low34.7Very low174 Ų174147.2 Ų147.281%0.81380%0.803SS**  trans-109.6139.5-176-166.2173.69.600110
739P39Very low34.1Very low107 Ų107150.6 Ų150.670%0.69581%0.811SS**PPolyproline II helixtrans-67.5151.9174.428.8-35.1000111.4
740P40.6Very low34.9Very low123 Ų123144.5 Ų144.580%0.79980%0.801SS**PPolyproline II helixtrans-67.5144.6-176.627.5-34.8000112.6
741P38.7Very low35Very low114 Ų114151.8 Ų151.874%0.7481%0.812SS**PPolyproline II helixtrans-83.1160.1-174.633.9-36.8000113.7
742P36Very low34.4Very low124 Ų124150.7 Ų150.781%0.80581%0.811SS**PPolyproline II helixtrans-72.3145.6170.631.5-35000111.9
743V34.9Very low34Very low151 Ų151152.2 Ų152.292%0.91582%0.822SS**PPolyproline II helixtrans-78129.2179.6-177.70000110.8
744A31.7Very low33.6Very low90 Ų90151 Ų15174%0.74482%0.82SS**  trans-106.5164.2-177.400000113.5
745R29.3Very low33.8Very low235 Ų235148.7 Ų148.789%0.88782%0.815SS**  trans-70.9160.9176-73.8176.8169.1150.9-5.8112.8
746V30.5Very low34.5Very low136 Ų136148.2 Ų148.282%0.82481%0.812SS**  trans-119.1143160.7178.80000108.9
747T32.4Very low34.3Very low112 Ų112146.9 Ų146.969%0.68781%0.808SS**  trans-153127.6-173.350.30000114.3
748H35.6Very low34.1Very low168 Ų168141.2 Ų141.278%0.77880%0.795SS**  trans-171.7123.7148.736.5-87.5000108.4
749M31.6Very low33.8Very low176 Ų176138.5 Ų138.587%0.86780%0.795SS**  85.1154.765.4-75.5-70179.800113.6
750P47.4Very low33.3Very low109 Ų109137.6 Ų137.671%0.70880%0.796SS**  cis-140.2166.5-23.538.7-22.4000115.6
751R28.8Very low32.9Very low260 Ų260137.7 Ų137.798%0.98180%0.795SS**  trans170.5154.6140.4-101.7-179.4-179.5-155.40.3112.7
752G27.3Very low32.5Very low84 Ų84141 Ų14187%0.86680%0.802SS**  trans123.8144.316600000115.1
753S29.7Very low32.1Very low124 Ų124138.3 Ų138.387%0.86780%0.797SS**  trans-122.5164.2-174.456.50000114.1
754L27.8Very low31.9Very low160 Ų160135.6 Ų135.684%0.83879%0.79SS**  trans-51.4166.5170-65.3172.6000113.2
755P38.1Very low31.8Very low119 Ų119141 Ų14177%0.77380%0.8SS**  cis-142.4-141.832.247.4-24.3000115
756P48Very low32Very low103 Ų103135.1 Ų135.167%0.66980%0.796SS**  -133.4-161.9-127.833-5.5000116.7
757Y26.6Very low32.2Very low210 Ų210134.5 Ų134.582%0.82479%0.794SS**  trans119117154.6-86-88000121.4
758S27.5Very low32.2Very low87 Ų87133.4 Ų133.461%0.60880%0.796SS**  trans53.7116.213466.50000125.6
759S27.5Very low32.4Very low117 Ų117131.2 Ų131.282%0.81880%0.797SS**  75158.1118.275.40000123.9
760A29.3Very low32.7Very low87 Ų87128.5 Ų128.572%0.71979%0.793SS**  trans93.689.6157.400000120.2
761T31.1Very low32.6Very low125 Ų125129.3 Ų129.377%0.76780%0.798SS**  19150.1121.8-26.60000122
762M31.3Very low32.8Very low184 Ų184125.1 Ų125.191%0.90680%0.795SS**  trans76.5146.8173-48.4-62.6-167.700115.2
763G27.4Very low33Very low68 Ų68124.5 Ų124.570%0.70179%0.789SS**  cis174.2124.2-9.700000113
764A31Very low33.2Very low93 Ų93128.6 Ų128.677%0.76979%0.791SS**  trans39.5114.9163.300000121.5
765Q29.3Very low33.5Very low203 Ų203128.5 Ų128.595%0.94979%0.791SS**  -165.4176.8124.7-109.6163.488.700113.8
766S33Very low33.5Very low113 Ų113128.9 Ų128.979%0.7979%0.793SS**PPolyproline II helixtrans-78.3148.7-158.3-154.70000115.5
767P34.9Very low33.5Very low122 Ų122129.3 Ų129.379%0.79279%0.794SS**PPolyproline II helixtrans-85.7149.1-178.433.9-35.9000115.1
768A33.8Very low34.8Very low89 Ų89123.4 Ų123.474%0.73678%0.777SS**PPolyproline II helixtrans-90.5162.5166.900000111.5
769P37.9Very low36.2Very low122 Ų122123.8 Ų123.879%0.79278%0.777SS**PPolyproline II helixtrans-81.6142.6-168.731.5-35.5000114.5
770P39.5Very low37.4Very low119 Ų119125 Ų12577%0.77377%0.77SS**PPolyproline II helixtrans-88.7154.7173.135.3-34.5000113.4
771P44.2Very low38.6Very low127 Ų127126.4 Ų126.483%0.82576%0.763SS**PPolyproline II helixtrans-85.8169.9-179.334.9-36.6000114.6G773P771-G773 PolarHBondContact O-N 3.41Å
772N32.8Very low40.2Very low171 Ų171126.9 Ų126.991%0.91476%0.756SS**PPolyproline II helixtrans-56.8120.1-173.5-68.9-51000115.5
773G31.8Very low42Very low72 Ų72120.8 Ų120.874%0.74274%0.735SS**PPolyproline II helixtrans-90.1142.2164.200000112.6P771P771-G773 PolarHBondContact O-N 3.41Å
774K33.7Very low43.6Very low210 Ų210122.3 Ų122.391%0.91373%0.727SS**PPolyproline II helixtrans-89.9139.6175.8-65.9175180174.80110.8
775L35.6Very low45.3Very low158 Ų158123.5 Ų123.583%0.82772%0.72SS**PPolyproline II helixtrans-79.5153.5170.8-81.495.1000112.1
776P36.9Very low47.2Very low127 Ų127117 Ų11783%0.82570%0.697SS**PPolyproline II helixtrans-73.8135177.130.4-35000112.3
777T48.6Very low49.3Very low112 Ų112118.3 Ų118.369%0.68769%0.686SS**PPolyproline II helixtrans-95.6147.7179.139.50000113
778N53.8Low50.6Low85 Ų85119 Ų11946%0.45567%0.674SS.*PPolyproline II helixtrans-72.1126.9-179176.8-16.7000111.4Q780 M781N778-Q780 PolarHBondContact O-N 2.9Å; N778-Q780 VanDerWaalsContact O-N 3.14Å; N778-Q780 WeakPolarHBondContact OD1-CB 3.19Å; N778-Q780 PolarHBondContact OD1-N 2.94Å; N778-M781 VanDerWaalsContact O-CB 3.32Å; N778-M781 WeakPolarHBondContact O-CB 3.39Å; N778-M781 PolarHBondContact O-N 3.1Å
779P57.5Low52.4Low96 Ų96121.8 Ų121.862%0.62367%0.669SS**Hα-helixtrans-61.4-23.2-177.724.5-35.2000114.7M781 E782 A783P779-M781 VanDerWaalsContact C-N 3.25Å; P779-M781 PolarHBondContact O-N 3.31Å; P779-E782 PolarHBondContact O-N 3.36Å; P779-A783 PolarHBondContact O-N 2.87Å
780Q51.2Low54Low143 Ų143121.7 Ų121.767%0.66866%0.658SS**Hα-helixtrans-65.6-29.2173.3-64.7-175.6-49.400112.6N778 L784N778-Q780 PolarHBondContact O-N 2.9Å; N778-Q780 VanDerWaalsContact O-N 3.14Å; N778-Q780 WeakPolarHBondContact OD1-CB 3.19Å; N778-Q780 PolarHBondContact OD1-N 2.94Å; Q780-L784 PolarHBondContact O-N 3.08Å
781M55.9Low55.3Low116 Ų116120 Ų12057%0.57164%0.64SS**Hα-helixtrans-74.1-38176.9-168.1176.9-6800111.1N778 P779 L784 L785N778-M781 VanDerWaalsContact O-CB 3.32Å; N778-M781 WeakPolarHBondContact O-CB 3.39Å; N778-M781 PolarHBondContact O-N 3.1Å; P779-M781 VanDerWaalsContact C-N 3.25Å; P779-M781 PolarHBondContact O-N 3.31Å; M781-L784 PolarHBondContact O-N 3.49Å; M781-L785 HydrophobicContact CG-CD1 4.29Å; M781-L785 WeakPolarHBondContact O-CG 3.44Å; M781-L785 PolarHBondContact O-N 3.21Å
782E64.2Low56.2Low134 Ų134120 Ų12063%0.62663%0.628SS**Hα-helixtrans-69.9-36.7177.1-164.5163.5-138.300111.9P779 L785 S786P779-E782 PolarHBondContact O-N 3.36Å; E782-L785 PolarHBondContact O-N 3.43Å; E782-S786 PolarHBondContact O-N 3.1Å; E782-S786 PolarHBondContact O-OG 3.47Å
783A69Low57.4Low56 Ų56118.3 Ų118.346%0.46362%0.615SS.*Hα-helixtrans-61.8-40.1169.900000113P779 S786 Y787P779-A783 PolarHBondContact O-N 2.87Å; A783-S786 PolarHBondContact O-OG 3.37Å; A783-Y787 WeakPolarHBondContact O-CB 3.41Å; A783-Y787 PolarHBondContact O-N 3.23Å; A783-Y787 VanDerWaalsContact O-N 3.1Å
784L60.7Low58.6Low101 Ų101120.8 Ų120.853%0.52961%0.608SS.*Hα-helixtrans-67.1-41.6173.9-90161.9000112.2Q780 M781 Y787 Y788Q780-L784 PolarHBondContact O-N 3.08Å; M781-L784 PolarHBondContact O-N 3.49Å; L784-Y787 PolarHBondContact O-N 3.11Å; L784-Y788 HydrophobicContact CD2-CE2 4.19Å; L784-Y788 WeakPolarHBondContact O-CD2 3.42Å; L784-Y788 PolarHBondContact O-N 2.89Å; L784-Y788 VanDerWaalsContact O-N 3.11Å
785L66.6Low59.5Low117 Ų117116.7 Ų116.761%0.61359%0.592SS**Hα-helixtrans-65.1-39.6177.5-75.3163.6000112M781 E782 K789M781-L785 HydrophobicContact CG-CD1 4.29Å; M781-L785 WeakPolarHBondContact O-CG 3.44Å; M781-L785 PolarHBondContact O-N 3.21Å; E782-L785 PolarHBondContact O-N 3.43Å; L785-K789 VanDerWaalsContact O-CB 3.29Å; L785-K789 WeakPolarHBondContact O-CB 3.41Å; L785-K789 PolarHBondContact O-N 2.67Å
786S69.8Low60Low68 Ų68115.8 Ų115.848%0.47658%0.583SS.*Hα-helixtrans-67.8-40.2175.764.40000112.3E782 A783 K789 Q790E782-S786 PolarHBondContact O-N 3.1Å; E782-S786 PolarHBondContact O-OG 3.47Å; A783-S786 PolarHBondContact O-OG 3.37Å; S786-K789 PolarHBondContact O-N 3.39Å; S786-Q790 WeakPolarHBondContact O-CB 3.19Å; S786-Q790 PolarHBondContact O-N 2.9Å
787Y77.4Confident60.6Low140 Ų140117.4 Ų117.455%0.54958%0.579SS.*Hα-helixtrans-58-50.5174.5-179.5-97.3000112.5A783 L784 K789 Q790 Q791A783-Y787 WeakPolarHBondContact O-CB 3.41Å; A783-Y787 PolarHBondContact O-N 3.23Å; A783-Y787 VanDerWaalsContact O-N 3.1Å; L784-Y787 PolarHBondContact O-N 3.11Å; Y787-K789 PolarHBondContact O-N 2.66Å; Y787-Q790 PolarHBondContact O-N 2.97Å; Y787-Q791 PolarHBondContact O-N 3.17Å
788Y62.8Low60.5Low137 Ų137120 Ų12054%0.53758%0.584SS.*Hα-helixtrans-66.5-34.8177.7-81.1-67.4000113.1L784 Q791 Q792L784-Y788 HydrophobicContact CD2-CE2 4.19Å; L784-Y788 WeakPolarHBondContact O-CD2 3.42Å; L784-Y788 PolarHBondContact O-N 2.89Å; L784-Y788 VanDerWaalsContact O-N 3.11Å; Y788-Q791 PolarHBondContact O-N 2.97Å; Y788-Q792 PolarHBondContact O-N 3.19Å; Y788-Q792 VanDerWaalsContact O-N 3.08Å
789K70.6Confident60Low147 Ų147124 Ų12464%0.63960%0.6SS**Hα-helixtrans-65.8-38.3175.3-168.8173.6-176.5178.90112.1L785 S786 Y787 Q792 Q793L785-K789 VanDerWaalsContact O-CB 3.29Å; L785-K789 WeakPolarHBondContact O-CB 3.41Å; L785-K789 PolarHBondContact O-N 2.67Å; S786-K789 PolarHBondContact O-N 3.39Å; Y787-K789 PolarHBondContact O-N 2.66Å; K789-Q792 PolarHBondContact O-N 2.89Å; K789-Q793 PolarHBondContact O-N 3.24Å
790Q70.9Confident59.3Low120 Ų120124 Ų12456%0.56160%0.601SS**Hα-helixtrans-67.3-37.7174.4-166.2172.122.200111.7S786 Y787 Q793 Q794S786-Q790 WeakPolarHBondContact O-CB 3.19Å; S786-Q790 PolarHBondContact O-N 2.9Å; Y787-Q790 PolarHBondContact O-N 2.97Å; Q790-Q793 PolarHBondContact O-N 2.86Å; Q790-Q794 PolarHBondContact O-N 3.23Å
791Q66.6Low59Low83 Ų83128.4 Ų128.439%0.38861%0.612SS.*Hα-helixtrans-64.7-38.2175.8-166.6171.855.300112.7Y787 Y788 Q794 Q795Y787-Q791 PolarHBondContact O-N 3.17Å; Y788-Q791 PolarHBondContact O-N 2.97Å; Q791-Q794 PolarHBondContact O-N 3.3Å; Q791-Q795 PolarHBondContact O-N 3.39Å
792Q62.9Low58.1Low126 Ų126128.7 Ų128.759%0.58963%0.625SS**Hα-helixtrans-66.9-33.5175-75-174.9-12.100113.6Y788 K789 Q795 H796Y788-Q792 PolarHBondContact O-N 3.19Å; Y788-Q792 VanDerWaalsContact O-N 3.08Å; K789-Q792 PolarHBondContact O-N 2.89Å; Q792-Q795 PolarHBondContact O-N 3.32Å; Q792-H796 PolarHBondContact O-N 2.9Å; Q792-H796 PolarHBondContact O-ND1 3.31Å
793Q59.6Low56.6Low137 Ų137126.9 Ų126.964%0.6463%0.634SS**Hα-helixtrans-68.1-38.3175.2-76.5-174.2-39.700112.2K789 Q790 Q795 H796 Q797K789-Q793 PolarHBondContact O-N 3.24Å; Q790-Q793 PolarHBondContact O-N 2.86Å; Q793-Q795 VanDerWaalsContact C-N 3.31Å; Q793-Q795 PolarHBondContact O-N 2.88Å; Q793-H796 PolarHBondContact O-N 2.96Å; Q793-Q797 PolarHBondContact O-N 3.14Å
794Q56.8Low55.4Low124 Ų124130.4 Ų130.458%0.57965%0.652SS**Hα-helixtrans-64.4-34.3175.9-71.2-176.4-7.300112.7Q790 Q791 Q797Q790-Q794 PolarHBondContact O-N 3.23Å; Q791-Q794 PolarHBondContact O-N 3.3Å; Q794-Q797 PolarHBondContact O-N 3.5Å
795Q51.4Low54Low124 Ų124131.4 Ų131.458%0.57967%0.667SS**Hα-helixtrans-68.9-43.1175.6-71.5-178.2-15.300112.5Q791 Q792 Q793 Q797 Q798Q791-Q795 PolarHBondContact O-N 3.39Å; Q792-Q795 PolarHBondContact O-N 3.32Å; Q793-Q795 VanDerWaalsContact C-N 3.31Å; Q793-Q795 PolarHBondContact O-N 2.88Å; Q795-Q797 PolarHBondContact O-N 3.38Å; Q795-Q798 PolarHBondContact O-N 3.04Å
796H47.8Very low52.5Low139 Ų139134.1 Ų134.164%0.64468%0.677SS**Hα-helixtrans-63.1-29177.2-8277.1000113Q792 Q793 Q798Q792-H796 PolarHBondContact O-N 2.9Å; Q792-H796 PolarHBondContact O-ND1 3.31Å; Q793-H796 PolarHBondContact O-N 2.96Å; H796-Q798 VanDerWaalsContact C-N 3.28Å; H796-Q798 PolarHBondContact O-N 2.96Å
797Q47.9Very low50.7Low161 Ų161139.8 Ų139.875%0.75270%0.696SS**THydrogen-bonded Turntrans-78.4-8.6-179.5-154.216348.200113.9Q793 Q794 Q795Q793-Q797 PolarHBondContact O-N 3.14Å; Q794-Q797 PolarHBondContact O-N 3.5Å; Q795-Q797 PolarHBondContact O-N 3.38Å
798Q46.7Very low49.2Very low167 Ų167138.4 Ų138.478%0.7870%0.704SS**THydrogen-bonded Turntrans-96.5-18.6175.5-68.4-174.9-3.300114.1Q795 H796Q795-Q798 PolarHBondContact O-N 3.04Å; H796-Q798 VanDerWaalsContact C-N 3.28Å; H796-Q798 PolarHBondContact O-N 2.96Å
799Q44.7Very low47.8Very low169 Ų169141.9 Ų141.979%0.7972%0.722SS**SBendtrans-90.1-4.6-176.5-71.1-174.2-21.900114.7R801Q799-R801 PolarHBondContact O-N 3.08Å
800S42.6Very low46.4Very low94 Ų94141.4 Ų141.466%0.65773%0.731SS**SBendtrans-95.922.9-172.952.30000115.1
801R44.5Very low44.6Very low236 Ų236140.6 Ų140.689%0.89175%0.745SS**  trans-143.560.5-174.4-115.5-168.4-179.8-156.90116.3Q799Q799-R801 PolarHBondContact O-N 3.08Å
802S35.9Very low43.3Very low122 Ų122142.4 Ų142.485%0.85376%0.762SS**  trans-167.8103.8154.7410000114.2
803A33Very low42.2Very low97 Ų97143.5 Ų143.580%0.80277%0.77SS**  trans-147.9151.716100000108.8
804P44.6Very low41.3Very low130 Ų130147 Ų14784%0.84480%0.801SS**  trans-104.1161.3-140.437.6-36.3000116
805S30.4Very low40.5Very low121 Ų121148.2 Ų148.285%0.84681%0.812SS**  trans-112.5146.1156.6-171.20000109.7
806Q35.5Very low39.9Very low174 Ų174149.5 Ų149.581%0.81382%0.824SS**  trans-93.2149.4-178.3-58172.6-1.100110.7
807Q31.8Very low39.5Very low188 Ų188150.1 Ų150.188%0.87983%0.834SS**  176.9162.2115.8-94-154.51.100112.1
808P45.8Very low39Very low110 Ų110149.4 Ų149.471%0.71484%0.839SS**  trans-100.5168.5-152.438.8-37.1000115
809K33.7Very low38.5Very low211 Ų211148.3 Ų148.392%0.91784%0.843SS**  trans-135.1128.7154.8-72.3-166.1175.4-175.70111.4
810T40.9Very low38.1Very low136 Ų136146.9 Ų146.983%0.83485%0.846SS**  trans-73.6150.2168.545.20000111.3
811A34.3Very low37.8Very low104 Ų104150.7 Ų150.786%0.8686%0.86SS**  trans-138.1139.5159.500000108.6
812T38.3Very low37.2Very low120 Ų120144.2 Ų144.274%0.73686%0.857SS**  trans-121.2128-171.7-63.80000110.1
813I40Very low37.3Very low149 Ų149146 Ų14676%0.76486%0.858SS**  trans27.7110.7151.4-53.3167000116.8
814V39.8Very low37.7Very low212 Ų212150.5 Ų150.5100%1.28586%0.863SS**  -130.40103-178.20000107.6

Retrieved 814 of 814 residues in 703.8 ms (Link to these results)

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