A0A087Y264_POEFO Loading...

ALX homeobox protein 1

AlphaFold DB , UniProt , Accession A0A087Y264, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1I59.8Low53.4Low176 Ų176126.1 Ų126.190%0.90362%0.615SS**  0-66.20-42.5-175.1000112.7Y5I1-Y5 WeakPolarHBondContact O-CB 3.14Å; I1-Y5 PolarHBondContact O-N 2.91Å; I1-Y5 VanDerWaalsContact O-N 3.16Å
2I59Low53.4Low136 Ų136125.2 Ų125.270%0.69761%0.614SS**Hα-helixtrans-72.4-39.8-176.8-59.2175.6000113.1Y5 I6I2-Y5 PolarHBondContact O-N 2.96Å; I2-I6 HydrophobicContact CG2-CD1 4.3Å; I2-I6 WeakPolarHBondContact O-CG1 3.37Å; I2-I6 PolarHBondContact O-N 3.42Å
3M54.9Low53.1Low140 Ų140124.1 Ų124.169%0.6960%0.604SS**Hα-helixtrans-69.3-40.1176.9-73.1-151.973.300112.9Y5 I6 E7M3-Y5 VanDerWaalsContact C-N 3.29Å; M3-Y5 PolarHBondContact O-N 3.31Å; M3-I6 PolarHBondContact O-N 3.41Å; M3-I6 VanDerWaalsContact O-N 3.16Å; M3-E7 PolarHBondContact O-N 2.81Å
4E52.8Low52.7Low128 Ų128118.6 Ų118.660%0.59858%0.584SS**Hα-helixtrans-60.4-37.7173.2-74.3-176.7142.800112.2I6 E7 D8E4-I6 VanDerWaalsContact C-N 3.33Å; E4-I6 PolarHBondContact O-N 3.06Å; E4-E7 PolarHBondContact O-N 3.05Å; E4-D8 WeakPolarHBondContact O-CB 3.22Å; E4-D8 PolarHBondContact O-N 3.43Å
5Y50.3Low52.3Low148 Ų148119.6 Ų119.658%0.5859%0.587SS**Hα-helixtrans-66.8-32.7176.8-171.5-99.9000113.3I1 I2 M3 K9I1-Y5 WeakPolarHBondContact O-CB 3.14Å; I1-Y5 PolarHBondContact O-N 2.91Å; I1-Y5 VanDerWaalsContact O-N 3.16Å; I2-Y5 PolarHBondContact O-N 2.96Å; M3-Y5 VanDerWaalsContact C-N 3.29Å; M3-Y5 PolarHBondContact O-N 3.31Å; Y5-K9 HydrophobicContact CD1-CG 4.47Å; Y5-K9 HydrophobicContact CE1-CD 4.28Å; Y5-K9 HydrophobicContact CE1-CG 4.12Å; Y5-K9 WeakPolarHBondContact O-CB 3.08Å; Y5-K9 WeakPolarHBondContact O-CG 3.32Å; Y5-K9 PolarHBondContact O-N 3.35Å; Y5-K9 VanDerWaalsContact O-N 3.07Å; Y5-K9 VanDerWaalsContact OH-CE 3.22Å; Y5-K9 WeakPolarHBondContact OH-CE 3.39Å
6I54.5Low52.4Low102 Ų102115.8 Ų115.852%0.52358%0.581SS.*Hα-helixtrans-74.9-41.2177.3-65.9170.4000110.2I2 M3 E4 K9 F10I2-I6 HydrophobicContact CG2-CD1 4.3Å; I2-I6 WeakPolarHBondContact O-CG1 3.37Å; I2-I6 PolarHBondContact O-N 3.42Å; M3-I6 PolarHBondContact O-N 3.41Å; M3-I6 VanDerWaalsContact O-N 3.16Å; E4-I6 VanDerWaalsContact C-N 3.33Å; E4-I6 PolarHBondContact O-N 3.06Å; I6-K9 PolarHBondContact O-N 3.45Å; I6-F10 WeakPolarHBondContact O-CB 3.39Å; I6-F10 PolarHBondContact O-N 3.42Å
7E54.8Low52.6Low120 Ų120112.8 Ų112.856%0.56157%0.565SS**Hα-helixtrans-63.5-43.1175.6-74.6176.9-17900111.5M3 E4 F10 A11M3-E7 PolarHBondContact O-N 2.81Å; E4-E7 PolarHBondContact O-N 3.05Å; E7-F10 PolarHBondContact O-N 2.88Å; E7-A11 VanDerWaalsContact O-CB 3.31Å; E7-A11 WeakPolarHBondContact O-CB 3.24Å; E7-A11 PolarHBondContact O-N 2.81Å
8D54.5Low52.5Low101 Ų101113.9 Ų113.954%0.5457%0.566SS.*Hα-helixtrans-63.9-42.2174.9-79.3-20.7000112E4 F10 A11 L12E4-D8 WeakPolarHBondContact O-CB 3.22Å; E4-D8 PolarHBondContact O-N 3.43Å; D8-F10 VanDerWaalsContact C-N 3.31Å; D8-F10 PolarHBondContact O-N 2.85Å; D8-A11 PolarHBondContact O-N 2.91Å; D8-L12 WeakPolarHBondContact O-CB 3.41Å; D8-L12 WeakPolarHBondContact O-CD1 3.26Å; D8-L12 PolarHBondContact O-N 3.37Å
9K48.5Very low52.7Low128 Ų128111 Ų11156%0.55756%0.561SS**Hα-helixtrans-63.6-36.3174.2-84.4-129.2-179.2-175.40112.7Y5 I6 K13Y5-K9 HydrophobicContact CD1-CG 4.47Å; Y5-K9 HydrophobicContact CE1-CD 4.28Å; Y5-K9 HydrophobicContact CE1-CG 4.12Å; Y5-K9 WeakPolarHBondContact O-CB 3.08Å; Y5-K9 WeakPolarHBondContact O-CG 3.32Å; Y5-K9 PolarHBondContact O-N 3.35Å; Y5-K9 VanDerWaalsContact O-N 3.07Å; Y5-K9 VanDerWaalsContact OH-CE 3.22Å; Y5-K9 WeakPolarHBondContact OH-CE 3.39Å; I6-K9 PolarHBondContact O-N 3.45Å; K9-K13 WeakPolarHBondContact O-CB 3.29Å; K9-K13 PolarHBondContact O-N 2.86Å
10F46.2Very low52.9Low156 Ų156106.2 Ų106.268%0.68454%0.539SS*.Hα-helixtrans-73.9-37.7178.1-148.3-91.3000111.4I6 E7 D8 K13 S14I6-F10 WeakPolarHBondContact O-CB 3.39Å; I6-F10 PolarHBondContact O-N 3.42Å; E7-F10 PolarHBondContact O-N 2.88Å; D8-F10 VanDerWaalsContact C-N 3.31Å; D8-F10 PolarHBondContact O-N 2.85Å; F10-K13 PolarHBondContact O-N 3.42Å; F10-S14 VanDerWaalsContact O-CB 3.26Å; F10-S14 WeakPolarHBondContact O-CB 3.31Å; F10-S14 PolarHBondContact O-N 3.39Å
11A52.2Low52.9Low52 Ų52105.7 Ų105.743%0.4353%0.534SS..Hα-helixtrans-64.8-44.2173.600000111.6E7 D8 S14 Q15E7-A11 VanDerWaalsContact O-CB 3.31Å; E7-A11 WeakPolarHBondContact O-CB 3.24Å; E7-A11 PolarHBondContact O-N 2.81Å; D8-A11 PolarHBondContact O-N 2.91Å; A11-S14 CarbonylContact O-C 3.58Å; A11-S14 WeakPolarHBondContact O-CB 3.41Å; A11-S14 PolarHBondContact O-N 2.91Å; A11-Q15 VanDerWaalsContact O-CB 3.29Å; A11-Q15 WeakPolarHBondContact O-CB 3.34Å; A11-Q15 PolarHBondContact O-N 3.41Å
12L53.2Low52.7Low115 Ų115105.1 Ų105.160%0.60252%0.522SS*.Hα-helixtrans-64-41.1174-88.3144.9000112.1D8 S14 Q15 A16D8-L12 WeakPolarHBondContact O-CB 3.41Å; D8-L12 WeakPolarHBondContact O-CD1 3.26Å; D8-L12 PolarHBondContact O-N 3.37Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-Q15 PolarHBondContact O-N 3.16Å; L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 3.41Å
13K49.2Very low52.6Low111 Ų111104.1 Ų104.148%0.48351%0.51SS..Hα-helixtrans-65.5-38.1173.3-166.1175.2-179.2-176.40111.1K9 F10 M17 E159K9-K13 WeakPolarHBondContact O-CB 3.29Å; K9-K13 PolarHBondContact O-N 2.86Å; F10-K13 PolarHBondContact O-N 3.42Å; K13-M17 WeakPolarHBondContact O-CB 3.22Å; K13-M17 WeakPolarHBondContact O-CG 3.49Å; K13-M17 PolarHBondContact O-N 3.21Å; K13-E159 IonicContact NZ-OE1 3.24Å; K13-E159 PolarHBondContact NZ-OE1 2.81Å
14S47.8Very low53.2Low47 Ų4797.8 Ų97.833%0.32948%0.479SS..Hα-helixtrans-68.1-39.3175.9-173.80000112.4F10 A11 L12 M17 K18F10-S14 VanDerWaalsContact O-CB 3.26Å; F10-S14 WeakPolarHBondContact O-CB 3.31Å; F10-S14 PolarHBondContact O-N 3.39Å; A11-S14 CarbonylContact O-C 3.58Å; A11-S14 WeakPolarHBondContact O-CB 3.41Å; A11-S14 PolarHBondContact O-N 2.91Å; L12-S14 VanDerWaalsContact C-N 3.35Å; S14-M17 WeakPolarHBondContact O-CB 3.49Å; S14-M17 PolarHBondContact O-N 3.2Å; S14-K18 WeakPolarHBondContact O-CG 3.37Å; S14-K18 PolarHBondContact O-N 2.99Å
15Q47.2Very low53.7Low134 Ų13495.5 Ų95.563%0.62647%0.471SS*.Hα-helixtrans-71.9-36.5178-157.2172.726.900111.3A11 L12 M17 K18 A19A11-Q15 VanDerWaalsContact O-CB 3.29Å; A11-Q15 WeakPolarHBondContact O-CB 3.34Å; A11-Q15 PolarHBondContact O-N 3.41Å; L12-Q15 PolarHBondContact O-N 3.16Å; Q15-M17 VanDerWaalsContact C-N 3.35Å; Q15-K18 PolarHBondContact O-N 3.37Å; Q15-A19 VanDerWaalsContact O-CB 3.26Å; Q15-A19 WeakPolarHBondContact O-CB 3.03Å; Q15-A19 PolarHBondContact O-N 3.42Å
16A54Low54.1Low59 Ų5992.9 Ų92.949%0.48846%0.464SS..Hα-helixtrans-64.6-37.9169.500000112.1L12 S20L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 3.41Å; A16-S20 WeakPolarHBondContact O-CB 3.06Å; A16-S20 PolarHBondContact O-N 3.29Å
17M55.6Low54.4Low64 Ų6489.4 Ų89.432%0.31545%0.448SS..Hα-helixtrans-64.5-45.6172.9-72.6-72.7158.700111.3K13 S14 Q15 S20 E21 R157K13-M17 WeakPolarHBondContact O-CB 3.22Å; K13-M17 WeakPolarHBondContact O-CG 3.49Å; K13-M17 PolarHBondContact O-N 3.21Å; S14-M17 WeakPolarHBondContact O-CB 3.49Å; S14-M17 PolarHBondContact O-N 3.2Å; Q15-M17 VanDerWaalsContact C-N 3.35Å; M17-S20 CarbonylContact O-C 3.54Å; M17-S20 PolarHBondContact O-N 3.07Å; M17-E21 WeakPolarHBondContact O-CB 3.44Å; M17-E21 PolarHBondContact O-N 3.07Å; M17-R157 PolarHBondContact O-NH2 3.5Å; M17-R157 HydrophobicContact SD-CG 4.14Å
18K51.5Low55Low134 Ų13484.2 Ų84.258%0.58342%0.423SS*.Hα-helixtrans-65.7-40.9177-72.1174.4-177.8177.90112.9S14 Q15 S20 E21 Y22S14-K18 WeakPolarHBondContact O-CG 3.37Å; S14-K18 PolarHBondContact O-N 2.99Å; Q15-K18 PolarHBondContact O-N 3.37Å; K18-S20 VanDerWaalsContact C-N 3.34Å; K18-E21 WeakPolarHBondContact O-CB 3.37Å; K18-E21 PolarHBondContact O-N 2.72Å; K18-E21 VanDerWaalsContact O-N 3.16Å; K18-Y22 WeakPolarHBondContact O-CB 3.35Å; K18-Y22 PolarHBondContact O-N 3.34Å
19A55.4Low55.5Low58 Ų5885.3 Ų85.348%0.47943%0.425SS..Hα-helixtrans-66-38.6174.700000111.4Q15 E21 Y23Q15-A19 VanDerWaalsContact O-CB 3.26Å; Q15-A19 WeakPolarHBondContact O-CB 3.03Å; Q15-A19 PolarHBondContact O-N 3.42Å; A19-E21 VanDerWaalsContact C-N 3.29Å; A19-Y23 VanDerWaalsContact O-CB 3.24Å; A19-Y23 WeakPolarHBondContact O-CB 3.15Å; A19-Y23 PolarHBondContact O-N 2.76Å
20S55.9Low56Low15 Ų1583.1 Ų83.111%0.10543%0.426CS..Hα-helixtrans-70.1-26.9173-168.70000111.9A16 M17 K18 M24 Q153 R157A16-S20 WeakPolarHBondContact O-CB 3.06Å; A16-S20 PolarHBondContact O-N 3.29Å; M17-S20 CarbonylContact O-C 3.54Å; M17-S20 PolarHBondContact O-N 3.07Å; K18-S20 VanDerWaalsContact C-N 3.34Å; S20-M24 VanDerWaalsContact O-CB 3.23Å; S20-M24 WeakPolarHBondContact O-CB 3.36Å; S20-M24 WeakPolarHBondContact O-CG 3.44Å; S20-M24 PolarHBondContact O-N 3.3Å; S20-Q153 PolarHBondContact OG-NE2 3.24Å; S20-R157 VanDerWaalsContact CB-NH1 3.34Å; S20-R157 PolarHBondContact O-NH1 3.27Å; S20-R157 PolarHBondContact OG-NH1 2.96Å
21E53.8Low56.6Low96 Ų9679.6 Ų79.645%0.44941%0.414SS..Hα-helixtrans-73.6-49175.7-143169.217500109.8M17 K18 A19 Y23 M24 D25M17-E21 WeakPolarHBondContact O-CB 3.44Å; M17-E21 PolarHBondContact O-N 3.07Å; K18-E21 WeakPolarHBondContact O-CB 3.37Å; K18-E21 PolarHBondContact O-N 2.72Å; K18-E21 VanDerWaalsContact O-N 3.16Å; A19-E21 VanDerWaalsContact C-N 3.29Å; E21-Y23 VanDerWaalsContact C-N 3.34Å; E21-Y23 PolarHBondContact O-N 2.98Å; E21-M24 PolarHBondContact O-N 2.91Å; E21-D25 WeakPolarHBondContact O-CB 3.13Å; E21-D25 PolarHBondContact O-N 2.87Å
22Y56.2Low56.8Low163 Ų16382.1 Ų82.164%0.63942%0.42SS*.Hα-helixtrans-60.8-39.3174.1-175.2-105.4000112.6K18 D25 Q26K18-Y22 WeakPolarHBondContact O-CB 3.35Å; K18-Y22 PolarHBondContact O-N 3.34Å; Y22-D25 PolarHBondContact O-N 2.71Å; Y22-Q26 WeakPolarHBondContact O-CB 3.48Å; Y22-Q26 PolarHBondContact O-N 2.86Å
23Y56.5Low56.5Low115 Ų11581.3 Ų81.345%0.45142%0.424SS..Hα-helixtrans-75.5-36177.5-165.6-87.2000112.6A19 E21 D25 Q26 V27 Y149A19-Y23 VanDerWaalsContact O-CB 3.24Å; A19-Y23 WeakPolarHBondContact O-CB 3.15Å; A19-Y23 PolarHBondContact O-N 2.76Å; E21-Y23 VanDerWaalsContact C-N 3.34Å; E21-Y23 PolarHBondContact O-N 2.98Å; Y23-D25 VanDerWaalsContact C-N 3.32Å; Y23-Q26 PolarHBondContact O-N 3.16Å; Y23-V27 HydrophobicContact CD1-CG2 3.69Å; Y23-V27 HydrophobicContact CE1-CG2 3.42Å; Y23-V27 VanDerWaalsContact CE1-CG2 3.42Å; Y23-V27 WeakPolarHBondContact O-CB 3.23Å; Y23-V27 VanDerWaalsContact O-CG2 3.22Å; Y23-V27 WeakPolarHBondContact O-CG2 3.48Å; Y23-V27 PolarHBondContact O-N 2.8Å; Y23-Y149 AromaticContact CD1-CE1 3.82Å; Y23-Y149 HydrophobicContact CD1-CE1 3.82Å; Y23-Y149 AromaticContact CD1-CZ 3.99Å; Y23-Y149 VanDerWaalsContact CD1-OH 3.32Å; Y23-Y149 WeakPolarHBondContact CD1-OH 3.42Å; Y23-Y149 HydrophobicContact CE1-CD1 4.36Å; Y23-Y149 AromaticContact CE1-CE1 3.28Å; Y23-Y149 HydrophobicContact CE1-CE1 3.28Å; Y23-Y149 AromaticContact CE1-CZ 3.44Å; Y23-Y149 VanDerWaalsContact CE1-CZ 3.44Å; Y23-Y149 WeakPolarHBondContact CE1-OH 3.39Å
24M67.1Low56.4Low7 Ų779.4 Ų79.43%0.03443%0.429CS..Hα-helixtrans-68.4-35.3170.7-75.3-71.6-71.400110.8S20 E21 V27 M28 V139 V150 Q153S20-M24 VanDerWaalsContact O-CB 3.23Å; S20-M24 WeakPolarHBondContact O-CB 3.36Å; S20-M24 WeakPolarHBondContact O-CG 3.44Å; S20-M24 PolarHBondContact O-N 3.3Å; E21-M24 PolarHBondContact O-N 2.91Å; M24-V27 PolarHBondContact O-N 3.41Å; M24-M28 HydrophobicContact CB-CE 4.48Å; M24-M28 WeakPolarHBondContact O-CA 3.26Å; M24-M28 WeakPolarHBondContact O-CB 3.32Å; M24-M28 WeakPolarHBondContact O-CG 3.41Å; M24-M28 PolarHBondContact O-N 3.16Å; M24-V139 HydrophobicContact CE-CG2 3.95Å; M24-V150 HydrophobicContact CE-CG1 4.05Å; M24-V150 HydrophobicContact SD-CG1 4.47Å; M24-Q153 HydrophobicContact SD-CB 4.14Å
25D63.5Low56.3Low80 Ų8084.2 Ų84.243%0.42845%0.446SS..Hα-helixtrans-64.9-40.1171.5-77.2-18.6000111.1E21 Y22 Y23 M28 E29E21-D25 WeakPolarHBondContact O-CB 3.13Å; E21-D25 PolarHBondContact O-N 2.87Å; Y22-D25 PolarHBondContact O-N 2.71Å; Y23-D25 VanDerWaalsContact C-N 3.32Å; D25-M28 CarbonylContact O-C 3.59Å; D25-M28 PolarHBondContact O-N 3.32Å; D25-M28 WeakPolarHBondContact OD1-CE 3.49Å; D25-E29 WeakPolarHBondContact O-CB 3.4Å; D25-E29 PolarHBondContact O-N 3.05Å
26Q58.7Low56.1Low93 Ų9387.5 Ų87.544%0.43545%0.454SS..Hα-helixtrans-64-43.7172.7-168.192.760.700112.5Y22 Y23 M28 S30Y22-Q26 WeakPolarHBondContact O-CB 3.48Å; Y22-Q26 PolarHBondContact O-N 2.86Å; Y23-Q26 PolarHBondContact O-N 3.16Å; Q26-M28 VanDerWaalsContact C-N 3.35Å; Q26-S30 WeakPolarHBondContact O-CB 3.4Å; Q26-S30 PolarHBondContact O-N 3.31Å
27V61.5Low55.4Low30 Ų3092 Ų9218%0.18246%0.463CS..Hα-helixtrans-67.7-37.9175.7169.80000110.6Y23 M24 S30 L31 V150Y23-V27 HydrophobicContact CD1-CG2 3.69Å; Y23-V27 HydrophobicContact CE1-CG2 3.42Å; Y23-V27 VanDerWaalsContact CE1-CG2 3.42Å; Y23-V27 WeakPolarHBondContact O-CB 3.23Å; Y23-V27 VanDerWaalsContact O-CG2 3.22Å; Y23-V27 WeakPolarHBondContact O-CG2 3.48Å; Y23-V27 PolarHBondContact O-N 2.8Å; M24-V27 PolarHBondContact O-N 3.41Å; V27-S30 PolarHBondContact O-N 2.88Å; V27-L31 WeakPolarHBondContact O-CG 3.42Å; V27-L31 PolarHBondContact O-N 2.88Å; V27-L31 VanDerWaalsContact O-N 3.07Å; V27-V150 HydrophobicContact CG1-CG2 4.08Å
28M66.4Low54.5Low11 Ų1195.7 Ų95.75%0.05448%0.484CS..Hα-helixtrans-73.2-35177.8-72.4-168.7-5300111.8M24 D25 Q26 L31 D32 K142M24-M28 HydrophobicContact CB-CE 4.48Å; M24-M28 WeakPolarHBondContact O-CA 3.26Å; M24-M28 WeakPolarHBondContact O-CB 3.32Å; M24-M28 WeakPolarHBondContact O-CG 3.41Å; M24-M28 PolarHBondContact O-N 3.16Å; D25-M28 CarbonylContact O-C 3.59Å; D25-M28 PolarHBondContact O-N 3.32Å; D25-M28 WeakPolarHBondContact OD1-CE 3.49Å; Q26-M28 VanDerWaalsContact C-N 3.35Å; M28-L31 PolarHBondContact O-N 2.97Å; M28-D32 PolarHBondContact O-N 3.29Å; M28-D32 VanDerWaalsContact O-N 3.07Å; M28-K142 HydrophobicContact CB-CD 4.06Å; M28-K142 HydrophobicContact CG-CD 3.79Å; M28-K142 HydrophobicContact SD-CD 3.33Å; M28-K142 WeakPolarHBondContact SD-CD 3.47Å; M28-K142 WeakPolarHBondContact SD-CE 3.45Å; M28-K142 PolarHBondContact SD-NZ 2.88Å
29E65.3Low53.6Low123 Ų12397.1 Ų97.158%0.57549%0.49SS*.Hα-helixtrans-67.2-37.3171-175.4173.1-154.100111.1D25 L31 D32 S33D25-E29 WeakPolarHBondContact O-CB 3.4Å; D25-E29 PolarHBondContact O-N 3.05Å; E29-L31 VanDerWaalsContact C-N 3.29Å; E29-L31 PolarHBondContact O-N 3.2Å; E29-D32 PolarHBondContact O-N 3.36Å; E29-S33 PolarHBondContact O-N 3.27Å
30S58.9Low52.9Low82 Ų82100 Ų10057%0.57350%0.504SS*.Hα-helixtrans-65.8-30172.7-173.60000113Q26 V27Q26-S30 WeakPolarHBondContact O-CB 3.4Å; Q26-S30 PolarHBondContact O-N 3.31Å; V27-S30 PolarHBondContact O-N 2.88Å
31L59Low52Low83 Ų83104.3 Ų104.344%0.43553%0.534SS..Hα-helixtrans-75.8-36174.5-72.9170.6000111.8V27 M28 E29 S33 A34 T143V27-L31 WeakPolarHBondContact O-CG 3.42Å; V27-L31 PolarHBondContact O-N 2.88Å; V27-L31 VanDerWaalsContact O-N 3.07Å; M28-L31 PolarHBondContact O-N 2.97Å; E29-L31 VanDerWaalsContact C-N 3.29Å; E29-L31 PolarHBondContact O-N 3.2Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-A34 PolarHBondContact O-N 3.24Å; L31-T143 HydrophobicContact CD1-CG2 4.33Å
32D55.5Low51.5Low104 Ų104105.4 Ų105.456%0.55655%0.55SS*.Hα-helixtrans-68.8-31.2173.6-72.8-21.7000112M28 E29 A34M28-D32 PolarHBondContact O-N 3.29Å; M28-D32 VanDerWaalsContact O-N 3.07Å; E29-D32 PolarHBondContact O-N 3.36Å; D32-A34 VanDerWaalsContact C-N 3.29Å; D32-A34 PolarHBondContact O-N 3.43Å
33S46.8Very low50.6Low99 Ų99106.6 Ų106.669%0.69256%0.558SS**THydrogen-bonded Turntrans-70.5-19.1173.3-107.50000114.2E29 L31 H35E29-S33 PolarHBondContact O-N 3.27Å; L31-S33 VanDerWaalsContact C-N 3.33Å; S33-H35 PolarHBondContact O-N 2.77Å
34A47.5Very low49.6Very low70 Ų70107 Ų10758%0.57958%0.576SS**  trans-83.133.9-177.200000113.9L31 D32 Y36L31-A34 PolarHBondContact O-N 3.24Å; D32-A34 VanDerWaalsContact C-N 3.29Å; D32-A34 PolarHBondContact O-N 3.43Å; A34-Y36 PolarHBondContact O-N 2.82Å
35H45.9Very low48.5Very low149 Ų149112.5 Ų112.569%0.6961%0.61SS**  trans-68.715.2167.4-94.9-57.7000114.2S33 F37S33-H35 PolarHBondContact O-N 2.77Å; H35-F37 PolarHBondContact O-N 3Å
36Y43.6Very low47.4Very low202 Ų202117.8 Ų117.879%0.79263%0.633SS**THydrogen-bonded Turntrans-74.5110.2179.2-118.9-98000110.8A34A34-Y36 PolarHBondContact O-N 2.82Å
37F38.9Very low46.5Very low154 Ų154117.5 Ų117.568%0.67565%0.646SS**THydrogen-bonded Turntrans86.955.3179.1-64.1-76.1000118.2H35 K39H35-F37 PolarHBondContact O-N 3Å; F37-K39 VanDerWaalsContact C-N 3.3Å; F37-K39 HydrophobicContact CD1-CD 4.39Å; F37-K39 HydrophobicContact CD1-CG 4.19Å; F37-K39 PolarHBondContact O-N 3.41Å
38N37.7Very low45.4Very low141 Ų141126.6 Ų126.675%0.75468%0.684SS**  trans-75.187.2140.9-119.7-38.8000108.7P40N38-P40 WeakPolarHBondContact O-CD 3.44Å
39K32.6Very low43.9Very low164 Ų164129.9 Ų129.971%0.71372%0.72SS**PPolyproline II helixtrans-80.9119.1162.1-85.8179.1177.7179.90107.5F37 S41F37-K39 VanDerWaalsContact C-N 3.3Å; F37-K39 HydrophobicContact CD1-CD 4.39Å; F37-K39 HydrophobicContact CD1-CG 4.19Å; F37-K39 PolarHBondContact O-N 3.41Å; K39-S41 PolarHBondContact O-N 2.8Å
40P39.4Very low43Very low118 Ų118132 Ų13277%0.76674%0.735SS**PPolyproline II helixtrans-64.2120.8168.527.2-30.8000107.8N38 P42N38-P40 WeakPolarHBondContact O-CD 3.44Å; P40-P42 WeakPolarHBondContact O-CD 3.41Å
41S36.5Very low42Very low107 Ų107137.6 Ų137.675%0.74875%0.752SS**PPolyproline II helixtrans-53.5118.9167.9179.10000108.8K39 K43K39-S41 PolarHBondContact O-N 2.8Å; S41-K43 PolarHBondContact O-N 3.37Å
42P43.3Very low40.8Very low119 Ų119137.1 Ų137.177%0.77377%0.767SS**PPolyproline II helixtrans-71.6119.8173.928.9-28.8000107.3P40 C44P40-P42 WeakPolarHBondContact O-CD 3.41Å; P42-C44 PolarHBondContact O-N 3.21Å
43K37.3Very low39.8Very low187 Ų187136.4 Ų136.481%0.81378%0.776SS**PPolyproline II helixtrans-51.2126.8171.5-66.7174.5178.2174.50108.8S41 T45S41-K43 PolarHBondContact O-N 3.37Å; K43-T45 PolarHBondContact O-N 2.91Å; K43-T45 VanDerWaalsContact O-N 3.09Å
44C37Very low39.1Very low123 Ų123139.9 Ų139.983%0.83178%0.781SS**  trans-60.7109.2164.9-178.80000107.9P42P42-C44 PolarHBondContact O-N 3.21Å
45T43.2Very low38.6Very low123 Ų123144.8 Ų144.876%0.75579%0.791SS**  trans-134.184.9168.2-41.60000105.6K43K43-T45 PolarHBondContact O-N 2.91Å; K43-T45 VanDerWaalsContact O-N 3.09Å
46Q40.5Very low38.1Very low191 Ų191149.9 Ų149.989%0.89380%0.804SS**  trans-99.298.1170.3-112.8-177.6-0.200108.4
47A39.2Very low37.7Very low87 Ų87145 Ų14572%0.71980%0.8SS**  trans-88.4151.8155.100000108.8
48F39.8Very low37.7Very low222 Ų222143.5 Ų143.597%0.97481%0.808SS**  trans-43.9149-174.2-69.3-98.2000117.4
49G34.5Very low38.1Very low80 Ų80142 Ų14283%0.82581%0.807SS**  trans-177.497162.500000113.7
50L46.5Very low38.1Very low167 Ų167140.8 Ų140.887%0.87482%0.817SS**  trans-67.4133.1168.8-74.4157.9000111.6
51Q38.5Very low37.9Very low200 Ų200138.8 Ų138.894%0.93582%0.818SS**  trans177.3131.3152.8-99.4148.386.600106
52G32.3Very low37.7Very low72 Ų72141.4 Ų141.474%0.74282%0.823SS**  cis120.588.926.400000109
53A34.3Very low37.2Very low90 Ų90145.2 Ų145.274%0.74483%0.831SS**  trans61.3162.9152.400000122.4
54E33.3Very low37Very low171 Ų171141.7 Ų141.780%0.79983%0.83SS**  trans98.291.8158.9-45.7-73.496.100119
55H37.2Very low36.7Very low173 Ų173139.6 Ų139.680%0.80182%0.817SS**  33117.4128.7-89.7-105.7000120.3
56R34.6Very low36.3Very low256 Ų256138.2 Ų138.297%0.96681%0.812SS**  trans-158.2117.1133-115174-172.6-132.82.2112.2
57S35.1Very low35.9Very low101 Ų101139.4 Ų139.471%0.70681%0.809SS**  trans-90.3143.2173.638.90000111.5
58S39Very low35.5Very low121 Ų121139 Ų13985%0.84681%0.814SS**  trans173.3158.5134-96.40000114.7
59P47.1Very low35.2Very low111 Ų111135 Ų13572%0.72181%0.808SS**  trans-119173.6-139.743.1-33000114.3
60C32.6Very low35.7Very low138 Ų138137.1 Ų137.193%0.93281%0.807SS**  trans170.9140.1145.5-87.50000107
61G33.8Very low35.1Very low75 Ų75137.7 Ų137.777%0.77380%0.802SS**  cis1681214.500000106.4
62D31.8Very low35Very low162 Ų162134.8 Ų134.887%0.86680%0.799SS**  trans-68136175.1-107.6-55.1000111
63Q34.1Very low35.1Very low200 Ų200137.7 Ų137.794%0.93580%0.797SS**  trans-139.1106.7155.8-80.6-177.684.300109.6
64S33Very low35.1Very low112 Ų112141.3 Ų141.378%0.78380%0.799SS**  trans-103.7130.2162.6167.30000108.3
65S31.4Very low35Very low80 Ų80139.7 Ų139.756%0.55980%0.795SS**  trans-167.7104.8148.6-158.60000107.1Y67S65-Y67 PolarHBondContact OG-OH 3.37Å; S65-Y67 VanDerWaalsContact OG-OH 3.06Å
66S33.5Very low34.8Very low93 Ų93136.2 Ų136.265%0.6579%0.791SS**  53.2112.780.2-174.20000112.2
67Y31.3Very low34.9Very low216 Ų216132.7 Ų132.785%0.84779%0.79SS**  -177130.8129.1-44.4-64.2000105.2S65S65-Y67 PolarHBondContact OG-OH 3.37Å; S65-Y67 VanDerWaalsContact OG-OH 3.06Å
68G31.7Very low34.8Very low80 Ų80139.1 Ų139.183%0.82580%0.799SS**  112.7103.363.100000110.6
69V34.4Very low34.7Very low138 Ų138138.5 Ų138.584%0.83679%0.794SS**  trans-72.8154.8175174.10000109.1
70P44.9Very low34Very low123 Ų123140.9 Ų140.980%0.79980%0.801SS**  -152.1174.455.738.1-12.9000121.1
71K34.2Very low34.2Very low179 Ų179142.4 Ų142.478%0.77880%0.799SS**  trans-34.9149.8174.7-69173167.9-178.60118.7
72T35.5Very low34.6Very low140 Ų140143.6 Ų143.686%0.85980%0.801SS**  -150.4149.5127.235.20000110.5
73D34.7Very low34.9Very low132 Ų132146.9 Ų146.971%0.70680%0.802SS**  trans-73.9-178.4-165.6-56.5-82.1000115.9
74E34Very low34.9Very low167 Ų167141.6 Ų141.678%0.7879%0.787SS**  trans114.6102157.3-59-73.691.100116.9
75D30.3Very low35.3Very low136 Ų136143.6 Ų143.673%0.72779%0.787SS**  95137.3123.2-128.9-40.3000122.2
76S32.8Very low35.9Very low101 Ų101147 Ų14771%0.70680%0.799SS**  trans86.880.8155.2-72.10000120.3
77L37.4Very low36.4Very low182 Ų182148.5 Ų148.595%0.95381%0.809SS**  trans-2.6119.2140.5-63.8168000117.6
78R33.7Very low36.7Very low235 Ų235144 Ų14489%0.88781%0.808SS**  trans-83.2132.3162.2-100.8174152167.6-5.8111
79S35.5Very low37.2Very low108 Ų108146.6 Ų146.676%0.75581%0.812SS**  trans71.982.6136.4-54.80000119.1
80D33.6Very low37.3Very low162 Ų162145.6 Ų145.687%0.86681%0.811SS**  trans-110.3105.6153.3-90.9-55.2000110.5
81L36.5Very low37.2Very low170 Ų170148.1 Ų148.189%0.8982%0.817SS**  trans-158.575.7142.5-144.582.1000110.4
82A42.3Very low37.4Very low99 Ų99150.7 Ų150.782%0.81882%0.822SS**  trans-105.185.8160.900000109.2
83R37.2Very low37.5Very low231 Ų231148.7 Ų148.787%0.87282%0.82SS**  trans-160141.1157.9-82.7-168.4163.9121.4-3.8104.6
84S34.6Very low37.6Very low90 Ų90147.5 Ų147.563%0.62982%0.822SS**  cis171145.8-0.1-175.40000102.3
85I41.5Very low38.3Very low153 Ų153145.5 Ų145.579%0.78582%0.823SS**  trans87108.5156.3-56.6138.4000117.4
86D45Very low38.7Very low153 Ų153145.9 Ų145.982%0.81883%0.83SS**  trans-42.7148.3148.9-64.2-85.6000113.4
87S44.2Very low39.2Very low123 Ų123147.2 Ų147.286%0.8683%0.834SS**  trans106.894.3163.5-162.50000116
88C35.8Very low39.3Very low121 Ų121143.9 Ų143.982%0.81883%0.826SS**  trans-165.482.1131.264.70000112.6
89C42.7Very low39.3Very low135 Ų135136.3 Ų136.391%0.91282%0.822SS**  trans-93.992.3149.9-890000108
90S36.6Very low39.9Very low117 Ų117137.4 Ų137.482%0.81883%0.826SS**  trans-143.596.6161.3-82.40000107.6R92S90-R92 PolarHBondContact O-N 3.07Å; S90-R92 VanDerWaalsContact O-N 3.16Å
91L43.2Very low39.9Very low176 Ų176139 Ų13992%0.92183%0.828SS**  trans-65.4110171.9-72.9161.1000108.3A93L91-A93 PolarHBondContact O-N 3.01Å
92R37.6Very low40.2Very low233 Ų233139.8 Ų139.888%0.87982%0.824SS**  2893.5128.5-150.3-176.8-166.3-172.54.3115.2S90S90-R92 PolarHBondContact O-N 3.07Å; S90-R92 VanDerWaalsContact O-N 3.16Å
93A38.4Very low40.1Very low98 Ų98142 Ų14281%0.8183%0.828SS**  trans-99.5131.6152.700000108.6L91L91-A93 PolarHBondContact O-N 3.01Å
94S37.6Very low40.6Very low108 Ų108139.6 Ų139.676%0.75583%0.827SS**  trans-145.6154.1166.6-82.10000109.2
95P48.5Very low41.4Very low125 Ų125143.4 Ų143.481%0.81284%0.839SS**  trans-99.9159.4-13736.3-32.6000112.6
96V38.8Very low41.7Very low144 Ų144144.2 Ų144.287%0.87384%0.84SS**  trans-134.1134.4153.81000000110.1
97T43.5Very low42.1Very low128 Ų128144.7 Ų144.779%0.78584%0.842SS**  trans-92.3136.4180159.10000109
98S38.6Very low42.6Very low112 Ų112145.1 Ų145.178%0.78384%0.839SS**  trans174.3118.1136.555.30000112.6
99G34.2Very low43.1Very low77 Ų77142.6 Ų142.679%0.79483%0.834SS**  84.7125.4129.300000120.2
100P46.8Very low43.1Very low130 Ų130143.1 Ų143.184%0.84483%0.828SS**  trans-98145.8-179.337-29000113
101E35.5Very low43.7Very low195 Ų195147.5 Ų147.591%0.91183%0.832SS**  trans-156.9151145.1-137-176.3114.800112.2
102K41Very low43.8Very low187 Ų187144 Ų14481%0.81382%0.821SS**  trans-70148.7-164.6-61.6166172.7-1790113.8
103T41.6Very low44.5Very low146 Ų146140.3 Ų140.390%0.89682%0.819SS**  -162.7117.7129.720.40000109.9
104E47.8Very low45.1Very low181 Ų181140.1 Ų140.185%0.84681%0.812SS**  trans-60.3139.3161.5-72.1164.6106.800109.7
105L50.2Low45.7Very low170 Ų170142.9 Ų142.989%0.8982%0.818SS**  trans-173.9114.3134.1-97.7156.4000110
106E48.8Very low45.8Very low170 Ų170141.9 Ų141.979%0.79481%0.809SS**  trans-28.6131.5160.8-41.6-91.5121.600114.7
107D52.8Low46.2Very low162 Ų162138.7 Ų138.787%0.86679%0.793SS**  trans-148.5127.9145.7-17143.9000111.1
108V54.8Low46.6Very low132 Ų132138.8 Ų138.880%0.880%0.799SS**  trans-97.7121.7-174.6168.80000107.4
109G46.1Very low47.5Very low69 Ų69138 Ų13871%0.71179%0.793SS**  trans-169.686.1178.200000115.6
110D43.3Very low49Very low145 Ų145144.2 Ų144.278%0.77580%0.799SS**  trans55.799.8145.5-131.8-100.8000119.7C112D110-C112 PolarHBondContact O-N 3.16Å; D110-C112 VanDerWaalsContact O-N 3.08Å
111K49.4Very low50.2Low209 Ų209146.5 Ų146.591%0.90980%0.795SS**  trans-67.496.3157.6-98.4175.2158.2172.50108.8
112C45Very low52.4Low102 Ų102148 Ų14869%0.68979%0.793SS**  trans-84.5113.2162.552.20000110.2D110 S114D110-C112 PolarHBondContact O-N 3.16Å; D110-C112 VanDerWaalsContact O-N 3.08Å; C112-S114 PolarHBondContact O-N 3.26Å
113D52.6Low54.4Low157 Ų157150.5 Ų150.584%0.8480%0.797SS**  trans-49.9121.3159.9-87.1-72.9000110.3
114S49.3Very low56.5Low94 Ų94151.1 Ų151.166%0.65779%0.789SS**  trans-153.965.9164.5-80.20000109.9C112 V116C112-S114 PolarHBondContact O-N 3.26Å; S114-V116 PolarHBondContact O-N 3.22Å
115N50.5Low58.6Low165 Ų165153.4 Ų153.488%0.88279%0.79SS**  trans-63.282.4145.9178.129.4000108
116V51.6Low60.6Low104 Ų104147.6 Ų147.663%0.6376%0.762SS**  trans-123.9101.8171.3-1600000107S114S114-V116 PolarHBondContact O-N 3.22Å
117S46.3Very low62.8Low77 Ų77145.3 Ų145.354%0.53876%0.76SS.*  trans31.2119.1154.669.70000116.4S119S117-S119 PolarHBondContact O-N 3.18Å
118S51.9Low64.9Low130 Ų130140.7 Ų140.791%0.90973%0.732SS**  trans-62.860.3157.753.50000111.5K120S118-K120 PolarHBondContact O-N 3.09Å
119S58.5Low67Low95 Ų95138.1 Ų138.166%0.66472%0.717SS**  trans-63.2106.8166.6-95.30000106.9S117 K121S117-S119 PolarHBondContact O-N 3.18Å; S119-K121 PolarHBondContact O-N 3.17Å
120K65.7Low69.5Low209 Ų209138.7 Ų138.791%0.90971%0.71SS**  trans-38.694.8177.4-154.8156.5-171.1154.90110.3S118 R122S118-K120 PolarHBondContact O-N 3.09Å; K120-R122 PolarHBondContact O-N 2.78Å
121K72Confident72Confident177 Ų177134.9 Ų134.977%0.7770%0.699SS**  trans-58.4111.3-176.1-160.5171.4-176177.90107.3S119 R123S119-K121 PolarHBondContact O-N 3.17Å; K121-R123 PolarHBondContact O-N 3.46Å
122R80.4Confident74.3Confident228 Ų228126.5 Ų126.586%0.8666%0.663SS**PPolyproline II helixtrans-56.8127.6-176.1-150.9170.982.8-176.74107.7K120 H124K120-R122 PolarHBondContact O-N 2.78Å; R122-H124 PolarHBondContact O-N 2.88Å
123R82.9Confident76.9Confident238 Ų238124.9 Ų124.990%0.89865%0.647SS**PPolyproline II helixtrans-53.6134.7-178-70.7-178.5-175.8174.20.1109.7K121 R125K121-R123 PolarHBondContact O-N 3.46Å; R123-R125 PolarHBondContact O-N 2.8Å
124H86.2Confident79Confident159 Ų159123.2 Ų123.274%0.73663%0.634SS**PPolyproline II helixtrans-59.6125.6177-63.9-49.8000109.9R122R122-H124 PolarHBondContact O-N 2.88Å
125R91.8Very high81.3Confident230 Ų230120.9 Ų120.987%0.86861%0.613SS**PPolyproline II helixtrans-88.8133179.8-174.5180-175.9-175.91.9108.6R123R123-R125 PolarHBondContact O-N 2.8Å
126T92.6Very high83.6Confident47 Ų47113 Ų11329%0.28857%0.571SS.*PPolyproline II helixtrans-72.3129.7172.3-48.60000110.1F128 L160 R164T126-F128 HydrophobicContact CG2-CE1 4.23Å; T126-F128 HydrophobicContact CG2-CZ 4.39Å; T126-L160 HydrophobicContact CG2-CD2 4.16Å; T126-R164 WeakPolarHBondContact OG1-CD 3.48Å
127T95.3Very high85.8Confident123 Ų123110.1 Ų110.176%0.75555%0.55SS**  trans-104.3131.6168.450.10000108.5
128F97.3Very high88.2Confident64 Ų64110.3 Ų110.328%0.28154%0.541SS..  trans-95.1139.9-179.6-56.5-82.2000109.9T126 L133 L136 L160 W168T126-F128 HydrophobicContact CG2-CE1 4.23Å; T126-F128 HydrophobicContact CG2-CZ 4.39Å; F128-L133 HydrophobicContact CB-CD1 4.42Å; F128-L133 HydrophobicContact CB-CD2 3.69Å; F128-L133 HydrophobicContact CB-CG 3.84Å; F128-L133 HydrophobicContact CD2-CD2 4.38Å; F128-L133 HydrophobicContact CG-CD2 4.1Å; F128-L136 HydrophobicContact CD1-CD1 4.5Å; F128-L160 HydrophobicContact CD1-CD1 3.69Å; F128-L160 HydrophobicContact CD1-CD2 4.42Å; F128-L160 HydrophobicContact CE1-CD1 3.59Å; F128-L160 HydrophobicContact CE1-CD2 4.38Å; F128-W168 AromaticContact CD2-CD1 4Å; F128-W168 AromaticContact CE2-CD1 3.71Å; F128-W168 HydrophobicContact CZ-CB 4.22Å; F128-W168 AromaticContact CZ-CD1 3.78Å; F128-W168 HydrophobicContact CZ-CG 4.4Å
129T98.3Very high90.3Very high78 Ų78104.3 Ų104.348%0.47950%0.499SS..  trans-76.5164.6170.669.70000110.6Q132 L133T129-Q132 PolarHBondContact O-N 2.91Å; T129-Q132 VanDerWaalsContact OG1-CG 3.24Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.35Å; T129-Q132 PolarHBondContact OG1-N 2.93Å; T129-Q132 PolarHBondContact OG1-OE1 2.74Å; T129-L133 WeakPolarHBondContact O-CG 3.41Å; T129-L133 PolarHBondContact O-N 3.15Å; T129-L133 VanDerWaalsContact O-N 3.15Å
130S97.7Very high92.2Very high81 Ų81100 Ų10057%0.56647%0.469SS*.Hα-helixtrans-58.9-49.3177.8-164.60000111.8Q132 L133 E134S130-Q132 VanDerWaalsContact C-N 3.28Å; S130-Q132 PolarHBondContact O-N 3.14Å; S130-L133 WeakPolarHBondContact O-CA 3.38Å; S130-L133 WeakPolarHBondContact O-CB 3.33Å; S130-L133 PolarHBondContact O-N 2.97Å; S130-E134 WeakPolarHBondContact O-CG 3.46Å; S130-E134 PolarHBondContact O-N 3.48Å; S130-E134 PolarHBondContact OG-OE1 3.08Å
131A97.1Very high93.7Very high66 Ų6697.2 Ų97.255%0.54546%0.459SS..Hα-helixtrans-57.9-38.818000000112.8E134 E135A131-E134 PolarHBondContact O-N 3.44Å; A131-E135 PolarHBondContact O-N 3.44Å
132Q97.9Very high94.7Very high32 Ų3293.2 Ų93.215%0.1544%0.441CS..Hα-helixtrans-64.4-41.5174.6-70.8170.2-21.700111.8T129 S130 L136 T158T129-Q132 PolarHBondContact O-N 2.91Å; T129-Q132 VanDerWaalsContact OG1-CG 3.24Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.35Å; T129-Q132 PolarHBondContact OG1-N 2.93Å; T129-Q132 PolarHBondContact OG1-OE1 2.74Å; S130-Q132 VanDerWaalsContact C-N 3.28Å; S130-Q132 PolarHBondContact O-N 3.14Å; Q132-L136 WeakPolarHBondContact O-CB 3.37Å; Q132-L136 WeakPolarHBondContact O-CD1 3.33Å; Q132-L136 WeakPolarHBondContact O-CG 3.18Å; Q132-L136 PolarHBondContact O-N 3.35Å; Q132-L136 VanDerWaalsContact O-N 3.14Å; Q132-T158 HydrophobicContact CB-CG2 4.42Å; Q132-T158 HydrophobicContact CG-CG2 4.48Å; Q132-T158 PolarHBondContact NE2-O 3.43Å
133L98.3Very high95.4Very high68 Ų6883.9 Ų83.936%0.35641%0.41SS..Hα-helixtrans-67.1-37.4178.6-67.3174.4000112F128 T129 S130 L136 E137 W168F128-L133 HydrophobicContact CB-CD1 4.42Å; F128-L133 HydrophobicContact CB-CD2 3.69Å; F128-L133 HydrophobicContact CB-CG 3.84Å; F128-L133 HydrophobicContact CD2-CD2 4.38Å; F128-L133 HydrophobicContact CG-CD2 4.1Å; T129-L133 WeakPolarHBondContact O-CG 3.41Å; T129-L133 PolarHBondContact O-N 3.15Å; T129-L133 VanDerWaalsContact O-N 3.15Å; S130-L133 WeakPolarHBondContact O-CA 3.38Å; S130-L133 WeakPolarHBondContact O-CB 3.33Å; S130-L133 PolarHBondContact O-N 2.97Å; L133-L136 PolarHBondContact O-N 3.05Å; L133-E137 VanDerWaalsContact O-CB 3.25Å; L133-E137 WeakPolarHBondContact O-CB 3.32Å; L133-E137 PolarHBondContact O-N 3.16Å; L133-W168 HydrophobicContact CD2-CZ2 4.24Å
134E97.9Very high96.1Very high122 Ų12275.4 Ų75.457%0.5738%0.38SS*.Hα-helixtrans-61.1-47.8177.3-73.3160.8-145.600111.3S130 A131 E137 K138S130-E134 WeakPolarHBondContact O-CG 3.46Å; S130-E134 PolarHBondContact O-N 3.48Å; S130-E134 PolarHBondContact OG-OE1 3.08Å; A131-E134 PolarHBondContact O-N 3.44Å; E134-E137 PolarHBondContact O-N 3.46Å; E134-K138 WeakPolarHBondContact O-CB 3.12Å; E134-K138 PolarHBondContact O-N 3.44Å
135E97.3Very high96.7Very high46 Ų4675.2 Ų75.222%0.21537%0.374CS..Hα-helixtrans-65.3-41.8178.3-169.661.1-159.500112A131 E137 K138 V139 L154 T158A131-E135 PolarHBondContact O-N 3.44Å; E135-E137 VanDerWaalsContact C-N 3.34Å; E135-E137 PolarHBondContact O-N 3.03Å; E135-K138 PolarHBondContact O-N 2.78Å; E135-V139 PolarHBondContact O-N 3.18Å; E135-L154 HydrophobicContact CG-CD2 3.94Å; E135-T158 HydrophobicContact CB-CG2 4.17Å; E135-T158 HydrophobicContact CG-CG2 4.32Å
136L98.2Very high96.9Very high0 Ų064.6 Ų64.60%034%0.335CS..Hα-helixtrans-63.9-39.4176.1-69.5168.4000111.9F128 Q132 L133 F140 L154 T158 V165 W168 F169F128-L136 HydrophobicContact CD1-CD1 4.5Å; Q132-L136 WeakPolarHBondContact O-CB 3.37Å; Q132-L136 WeakPolarHBondContact O-CD1 3.33Å; Q132-L136 WeakPolarHBondContact O-CG 3.18Å; Q132-L136 PolarHBondContact O-N 3.35Å; Q132-L136 VanDerWaalsContact O-N 3.14Å; L133-L136 PolarHBondContact O-N 3.05Å; L136-F140 WeakPolarHBondContact O-CB 3.47Å; L136-F140 PolarHBondContact O-N 3.31Å; L136-F140 VanDerWaalsContact O-N 3.08Å; L136-L154 HydrophobicContact CD2-CD1 4.32Å; L136-T158 HydrophobicContact CG-CG2 4.39Å; L136-V165 HydrophobicContact CD2-CG1 3.89Å; L136-V165 HydrophobicContact CD2-CG2 4.32Å; L136-W168 HydrophobicContact CB-CD2 4.11Å; L136-W168 HydrophobicContact CB-CE3 3.96Å; L136-W168 HydrophobicContact CB-CH2 3.68Å; L136-W168 HydrophobicContact CB-CZ2 3.8Å; L136-W168 HydrophobicContact CB-CZ3 3.76Å; L136-W168 HydrophobicContact CD1-CD2 3.86Å; L136-W168 HydrophobicContact CD1-CE3 4.39Å; L136-W168 HydrophobicContact CD1-CG 3.9Å; L136-W168 HydrophobicContact CD2-CE3 4.49Å; L136-W168 HydrophobicContact CG-CD2 4.45Å; L136-F169 HydrophobicContact CD2-CE2 3.93Å
137E98.1Very high97.1Very high43 Ų4367.4 Ų67.420%0.20135%0.348CS..Hα-helixtrans-71.8-37178.2-167.366.5-148.300111.9L133 E134 E135 V139 F140 Q141 R172L133-E137 VanDerWaalsContact O-CB 3.25Å; L133-E137 WeakPolarHBondContact O-CB 3.32Å; L133-E137 PolarHBondContact O-N 3.16Å; E134-E137 PolarHBondContact O-N 3.46Å; E135-E137 VanDerWaalsContact C-N 3.34Å; E135-E137 PolarHBondContact O-N 3.03Å; E137-V139 VanDerWaalsContact C-N 3.29Å; E137-V139 PolarHBondContact O-N 2.92Å; E137-F140 WeakPolarHBondContact O-CB 3.24Å; E137-F140 PolarHBondContact O-N 2.95Å; E137-F140 VanDerWaalsContact O-N 3.08Å; E137-Q141 WeakPolarHBondContact O-CG 3.25Å; E137-Q141 PolarHBondContact O-N 3.08Å; E137-R172 VanDerWaalsContact CD-CZ 3.48Å; E137-R172 IonicContact OE1-CZ 3.25Å; E137-R172 VanDerWaalsContact OE1-CZ 3.25Å; E137-R172 IonicContact OE1-NE 3.35Å; E137-R172 PolarHBondContact OE1-NE 3.09Å; E137-R172 IonicContact OE1-NH2 2.65Å; E137-R172 PolarHBondContact OE1-NH2 3.27Å; E137-R172 IonicContact OE2-CZ 2.93Å; E137-R172 IonicContact OE2-NE 2.92Å; E137-R172 PolarHBondContact OE2-NE 3.04Å; E137-R172 IonicContact OE2-NH1 3.5Å; E137-R172 IonicContact OE2-NH2 3.13Å; E137-R172 PolarHBondContact OE2-NH2 3.32Å; E137-R172 VanDerWaalsContact OE2-NH2 3.13Å
138K96.7Very high97.3Very high80 Ų8064.5 Ų64.535%0.34833%0.33SS..Hα-helixtrans-54.2-46174.4-178.9-176.9175.6-174.50111.3E134 E135E134-K138 WeakPolarHBondContact O-CB 3.12Å; E134-K138 PolarHBondContact O-N 3.44Å; E135-K138 PolarHBondContact O-N 2.78Å
139V96.9Very high97.3Very high4 Ų465.3 Ų65.32%0.02433%0.332CS..Hα-helixtrans-71.5-37.9175.8177.20000111.7M24 E135 E137 Q141 K142 T143 V150 L154 F169M24-V139 HydrophobicContact CE-CG2 3.95Å; E135-V139 PolarHBondContact O-N 3.18Å; E137-V139 VanDerWaalsContact C-N 3.29Å; E137-V139 PolarHBondContact O-N 2.92Å; V139-Q141 VanDerWaalsContact C-N 3.26Å; V139-Q141 PolarHBondContact O-N 3.08Å; V139-K142 PolarHBondContact O-N 3.36Å; V139-T143 HydrophobicContact CG1-CG2 4.25Å; V139-T143 PolarHBondContact O-N 3.4Å; V139-V150 HydrophobicContact CG1-CG1 4.13Å; V139-L154 HydrophobicContact CB-CD1 4.11Å; V139-L154 HydrophobicContact CG1-CD1 4.09Å; V139-L154 HydrophobicContact CG2-CD1 4.06Å; V139-L154 HydrophobicContact CG2-CD2 3.82Å; V139-L154 HydrophobicContact CG2-CG 4.28Å; V139-F169 HydrophobicContact CB-CZ 4.27Å; V139-F169 HydrophobicContact CG1-CZ 4.13Å
140F97.6Very high97.2Very high5 Ų562.3 Ų62.32%0.02231%0.313CS..Hα-helixtrans-59.5-36.1178.4-172.2-97.3000113L136 E137 K142 T143 H144 W168 F169 R172 R173 W176L136-F140 WeakPolarHBondContact O-CB 3.47Å; L136-F140 PolarHBondContact O-N 3.31Å; L136-F140 VanDerWaalsContact O-N 3.08Å; E137-F140 WeakPolarHBondContact O-CB 3.24Å; E137-F140 PolarHBondContact O-N 2.95Å; E137-F140 VanDerWaalsContact O-N 3.08Å; F140-K142 PolarHBondContact O-N 3.32Å; F140-T143 WeakPolarHBondContact CA-O 3.44Å; F140-T143 CarbonylContact O-C 3.48Å; F140-H144 AromaticContact CD1-CD2 3.69Å; F140-H144 AromaticContact CD2-CD2 3.89Å; F140-H144 AromaticContact CE1-CD2 3.25Å; F140-H144 WeakPolarHBondContact CE1-CD2 3.5Å; F140-H144 AromaticContact CE1-NE2 3.53Å; F140-H144 HydrophobicContact CE2-CB 3.98Å; F140-H144 AromaticContact CE2-CD2 3.47Å; F140-H144 VanDerWaalsContact CE2-CD2 3.47Å; F140-H144 WeakPolarHBondContact CE2-CD2 3.4Å; F140-H144 AromaticContact CG-CD2 3.99Å; F140-H144 HydrophobicContact CZ-CB 4.3Å; F140-H144 AromaticContact CZ-CD2 3.12Å; F140-H144 WeakPolarHBondContact CZ-CD2 3.47Å; F140-H144 AromaticContact CZ-CG 3.88Å; F140-H144 AromaticContact CZ-NE2 3.75Å; F140-H144 PolarHBondContact O-CD2 2.8Å; F140-W168 HydrophobicContact CB-CH2 4.48Å; F140-W168 HydrophobicContact CB-CZ3 4.33Å; F140-W168 HydrophobicContact CD2-CZ3 4.5Å; F140-F169 HydrophobicContact CB-CE1 4Å; F140-F169 AromaticContact CD2-CD1 3.79Å; F140-F169 HydrophobicContact CD2-CD1 3.79Å; F140-F169 AromaticContact CD2-CE1 3.77Å; F140-F169 HydrophobicContact CD2-CE1 3.77Å; F140-F169 HydrophobicContact CG-CE1 4.4Å; F140-R172 HydrophobicContact CD1-CG 3.89Å; F140-R172 HydrophobicContact CD2-CB 4.24Å; F140-R172 HydrophobicContact CD2-CG 3.52Å; F140-R172 HydrophobicContact CE1-CG 3.75Å; F140-R172 HydrophobicContact CE2-CB 3.98Å; F140-R172 HydrophobicContact CE2-CG 3.37Å; F140-R172 HydrophobicContact CG-CG 3.79Å; F140-R172 HydrophobicContact CZ-CB 4.42Å; F140-R172 HydrophobicContact CZ-CG 3.5Å; F140-R172 VanDerWaalsContact CZ-CG 3.5Å; F140-R173 HydrophobicContact CE2-CG 3.89Å; F140-R173 HydrophobicContact CZ-CG 4.44Å; F140-W176 HydrophobicContact CZ-CB 4.31Å; F140-W176 HydrophobicContact CZ-CG 4.46Å
141Q96.9Very high97.2Very high150 Ų15060.7 Ų60.770%0.70130%0.295SS*.Hα-helixtrans-61.3-29.9175.9-72173.79.700112.9E137 V139E137-Q141 WeakPolarHBondContact O-CG 3.25Å; E137-Q141 PolarHBondContact O-N 3.08Å; V139-Q141 VanDerWaalsContact C-N 3.26Å; V139-Q141 PolarHBondContact O-N 3.08Å
142K93.7Very high97.3Very high93 Ų9362.1 Ų62.140%0.40429%0.29SS..Hα-helixtrans-88.5-47.5178.5-59.5-168.9-174.3-163.90112.1M28 V139 F140M28-K142 HydrophobicContact CB-CD 4.06Å; M28-K142 HydrophobicContact CG-CD 3.79Å; M28-K142 HydrophobicContact SD-CD 3.33Å; M28-K142 WeakPolarHBondContact SD-CD 3.47Å; M28-K142 WeakPolarHBondContact SD-CE 3.45Å; M28-K142 PolarHBondContact SD-NZ 2.88Å; V139-K142 PolarHBondContact O-N 3.36Å; F140-K142 PolarHBondContact O-N 3.32Å
143T95.7Very high97.2Very high32 Ų3262 Ų6220%0.19629%0.29CS..  trans-140127.6176.3-179.70000112.1L31 V139 F140 Y145 P146L31-T143 HydrophobicContact CD1-CG2 4.33Å; V139-T143 HydrophobicContact CG1-CG2 4.25Å; V139-T143 PolarHBondContact O-N 3.4Å; F140-T143 WeakPolarHBondContact CA-O 3.44Å; F140-T143 CarbonylContact O-C 3.48Å; T143-Y145 PolarHBondContact O-N 2.94Å; T143-Y145 PolarHBondContact OG1-N 3.46Å; T143-Y145 VanDerWaalsContact OG1-N 3.17Å; T143-Y145 PolarHBondContact OG1-O 3.14Å; T143-P146 HydrophobicContact CG2-CB 4.27Å
144H97.3Very high97.2Very high61 Ų6158.9 Ų58.928%0.28227%0.273SS..SBendtrans-74.4-17.3173.1-58.7140.4000112.7F140 R173F140-H144 AromaticContact CD1-CD2 3.69Å; F140-H144 AromaticContact CD2-CD2 3.89Å; F140-H144 AromaticContact CE1-CD2 3.25Å; F140-H144 WeakPolarHBondContact CE1-CD2 3.5Å; F140-H144 AromaticContact CE1-NE2 3.53Å; F140-H144 HydrophobicContact CE2-CB 3.98Å; F140-H144 AromaticContact CE2-CD2 3.47Å; F140-H144 VanDerWaalsContact CE2-CD2 3.47Å; F140-H144 WeakPolarHBondContact CE2-CD2 3.4Å; F140-H144 AromaticContact CG-CD2 3.99Å; F140-H144 HydrophobicContact CZ-CB 4.3Å; F140-H144 AromaticContact CZ-CD2 3.12Å; F140-H144 WeakPolarHBondContact CZ-CD2 3.47Å; F140-H144 AromaticContact CZ-CG 3.88Å; F140-H144 AromaticContact CZ-NE2 3.75Å; F140-H144 PolarHBondContact O-CD2 2.8Å; H144-R173 HydrophobicContact CB-CG 4.28Å; H144-R173 VanDerWaalsContact O-CD 3.24Å; H144-R173 WeakPolarHBondContact O-CD 3.38Å; H144-R173 PolarHBondContact O-NH1 3.47Å
145Y97.9Very high97.2Very high155 Ų15553.5 Ų53.561%0.60825%0.25SC*.SBendtrans-127.971.7-175.1-66.2-94.2000110.7T143 R173T143-Y145 PolarHBondContact O-N 2.94Å; T143-Y145 PolarHBondContact OG1-N 3.46Å; T143-Y145 VanDerWaalsContact OG1-N 3.17Å; T143-Y145 PolarHBondContact OG1-O 3.14Å; Y145-R173 VanDerWaalsContact CE1-CD 3.48Å; Y145-R173 VanDerWaalsContact CE1-NE 3.28Å
146P96.5Very high97.2Very high6 Ų657.7 Ų57.74%0.03927%0.271CS..  trans-67138.4176.829.2-36.5000111.1T143 V150 R151 F169T143-P146 HydrophobicContact CG2-CB 4.27Å; P146-V150 HydrophobicContact CB-CB 4.06Å; P146-V150 HydrophobicContact CB-CG1 3.8Å; P146-R151 HydrophobicContact CB-CG 4.07Å; P146-R151 HydrophobicContact CG-CG 3.86Å; P146-R151 PolarHBondContact O-NH1 3.11Å; P146-F169 VanDerWaalsContact CD-CD1 3.43Å; P146-F169 HydrophobicContact CG-CD1 3.58Å; P146-F169 HydrophobicContact CG-CD2 4.01Å; P146-F169 HydrophobicContact CG-CE1 3.54Å; P146-F169 HydrophobicContact CG-CE2 3.98Å; P146-F169 HydrophobicContact CG-CG 3.84Å; P146-F169 HydrophobicContact CG-CZ 3.76Å
147D97.7Very high97.1Very high106 Ų10659.9 Ų59.957%0.56728%0.279SS*.  trans-69.8166.3175.4-172.628.1000112.3Y149 V150 R151D147-Y149 VanDerWaalsContact C-N 3.3Å; D147-Y149 PolarHBondContact O-N 2.65Å; D147-V150 PolarHBondContact O-N 3.04Å; D147-V150 VanDerWaalsContact O-N 3.16Å; D147-R151 WeakPolarHBondContact O-CG 3.47Å; D147-R151 PolarHBondContact O-N 3.25Å
148V97.6Very high97Very high62 Ų6258.2 Ų58.238%0.37627%0.272SS..Hα-helixtrans-50.6-47.6-179.566.30000112V150 R151 E152V148-V150 PolarHBondContact O-N 3.21Å; V148-R151 PolarHBondContact O-N 2.85Å; V148-R151 VanDerWaalsContact O-N 3.14Å; V148-E152 WeakPolarHBondContact O-CG 3.39Å; V148-E152 PolarHBondContact O-N 3.39Å
149Y97.2Very high97Very high82 Ų8261.3 Ų61.332%0.32229%0.287SS..Hα-helixtrans-60.6-46.4179.8178.8-90.8000111.9Y23 D147 R151 E152 Q153Y23-Y149 AromaticContact CD1-CE1 3.82Å; Y23-Y149 HydrophobicContact CD1-CE1 3.82Å; Y23-Y149 AromaticContact CD1-CZ 3.99Å; Y23-Y149 VanDerWaalsContact CD1-OH 3.32Å; Y23-Y149 WeakPolarHBondContact CD1-OH 3.42Å; Y23-Y149 HydrophobicContact CE1-CD1 4.36Å; Y23-Y149 AromaticContact CE1-CE1 3.28Å; Y23-Y149 HydrophobicContact CE1-CE1 3.28Å; Y23-Y149 AromaticContact CE1-CZ 3.44Å; Y23-Y149 VanDerWaalsContact CE1-CZ 3.44Å; Y23-Y149 WeakPolarHBondContact CE1-OH 3.39Å; D147-Y149 VanDerWaalsContact C-N 3.3Å; D147-Y149 PolarHBondContact O-N 2.65Å; Y149-R151 VanDerWaalsContact C-N 3.28Å; Y149-R151 PolarHBondContact O-N 2.89Å; Y149-E152 PolarHBondContact O-N 3.31Å; Y149-Q153 HydrophobicContact CD1-CG 4.25Å; Y149-Q153 HydrophobicContact CE1-CG 3.65Å; Y149-Q153 HydrophobicContact CE2-CG 4.47Å; Y149-Q153 WeakPolarHBondContact O-CG 3.39Å; Y149-Q153 PolarHBondContact O-N 3.48Å
150V96.7Very high97Very high14 Ų1462.4 Ų62.49%0.08529%0.293CS..Hα-helixtrans-62.6-38178.2179.50000111M24 V27 V139 P146 D147 V148 L154M24-V150 HydrophobicContact CE-CG1 4.05Å; M24-V150 HydrophobicContact SD-CG1 4.47Å; V27-V150 HydrophobicContact CG1-CG2 4.08Å; V139-V150 HydrophobicContact CG1-CG1 4.13Å; P146-V150 HydrophobicContact CB-CB 4.06Å; P146-V150 HydrophobicContact CB-CG1 3.8Å; D147-V150 PolarHBondContact O-N 3.04Å; D147-V150 VanDerWaalsContact O-N 3.16Å; V148-V150 PolarHBondContact O-N 3.21Å; V150-L154 HydrophobicContact CG1-CD1 4.47Å; V150-L154 WeakPolarHBondContact O-CG 3.34Å; V150-L154 PolarHBondContact O-N 3.13Å; V150-L154 VanDerWaalsContact O-N 3.08Å
151R98.3Very high97Very high47 Ų4766.1 Ų66.118%0.17732%0.316CS..Hα-helixtrans-68.7-37176.7-65.8-166.8-51.5-89.8-2112.4P146 D147 V148 Y149 L154 A155 E162 V165P146-R151 HydrophobicContact CB-CG 4.07Å; P146-R151 HydrophobicContact CG-CG 3.86Å; P146-R151 PolarHBondContact O-NH1 3.11Å; D147-R151 WeakPolarHBondContact O-CG 3.47Å; D147-R151 PolarHBondContact O-N 3.25Å; V148-R151 PolarHBondContact O-N 2.85Å; V148-R151 VanDerWaalsContact O-N 3.14Å; Y149-R151 VanDerWaalsContact C-N 3.28Å; Y149-R151 PolarHBondContact O-N 2.89Å; R151-L154 PolarHBondContact O-N 2.92Å; R151-A155 WeakPolarHBondContact O-CB 3.43Å; R151-A155 PolarHBondContact O-N 2.92Å; R151-E162 HydrophobicContact CB-CG 3.99Å; R151-E162 IonicContact CZ-OE1 3.26Å; R151-E162 VanDerWaalsContact CZ-OE1 3.26Å; R151-E162 IonicContact NE-OE1 2.74Å; R151-E162 PolarHBondContact NE-OE1 3.16Å; R151-E162 IonicContact NH2-OE1 2.88Å; R151-E162 PolarHBondContact NH2-OE1 3.46Å; R151-V165 HydrophobicContact CB-CG1 4.19Å; R151-V165 HydrophobicContact CG-CG1 4.23Å
152E98.1Very high97.1Very high96 Ų9661.3 Ų61.345%0.44929%0.294SS..Hα-helixtrans-64-44.2175-72.5176.9164.400111.6V148 Y149 L154 A155 M156 E162V148-E152 WeakPolarHBondContact O-CG 3.39Å; V148-E152 PolarHBondContact O-N 3.39Å; Y149-E152 PolarHBondContact O-N 3.31Å; E152-L154 PolarHBondContact O-N 2.65Å; E152-A155 WeakPolarHBondContact O-CB 3.46Å; E152-A155 PolarHBondContact O-N 3Å; E152-A155 VanDerWaalsContact O-N 3.15Å; E152-M156 PolarHBondContact O-N 3Å; E152-E162 HydrophobicContact CG-CG 4.07Å
153Q96.7Very high97.3Very high31 Ų3158.8 Ų58.815%0.14529%0.29CS..Hα-helixtrans-62.9-41.6175.9-65-6189.100112.2S20 M24 Y149 A155 M156 R157S20-Q153 PolarHBondContact OG-NE2 3.24Å; M24-Q153 HydrophobicContact SD-CB 4.14Å; Y149-Q153 HydrophobicContact CD1-CG 4.25Å; Y149-Q153 HydrophobicContact CE1-CG 3.65Å; Y149-Q153 HydrophobicContact CE2-CG 4.47Å; Y149-Q153 WeakPolarHBondContact O-CG 3.39Å; Y149-Q153 PolarHBondContact O-N 3.48Å; Q153-A155 VanDerWaalsContact C-N 3.32Å; Q153-A155 PolarHBondContact O-N 3.19Å; Q153-M156 PolarHBondContact O-N 3.04Å; Q153-R157 PolarHBondContact O-N 2.78Å
154L97.6Very high97.4Very high1 Ų162 Ų621%0.00530%0.299CS..Hα-helixtrans-62.4-39.5173.5-81172.1000112.3E135 L136 V139 V150 R151 E152 M156 R157 T158 V165 F169E135-L154 HydrophobicContact CG-CD2 3.94Å; L136-L154 HydrophobicContact CD2-CD1 4.32Å; V139-L154 HydrophobicContact CB-CD1 4.11Å; V139-L154 HydrophobicContact CG1-CD1 4.09Å; V139-L154 HydrophobicContact CG2-CD1 4.06Å; V139-L154 HydrophobicContact CG2-CD2 3.82Å; V139-L154 HydrophobicContact CG2-CG 4.28Å; V150-L154 HydrophobicContact CG1-CD1 4.47Å; V150-L154 WeakPolarHBondContact O-CG 3.34Å; V150-L154 PolarHBondContact O-N 3.13Å; V150-L154 VanDerWaalsContact O-N 3.08Å; R151-L154 PolarHBondContact O-N 2.92Å; E152-L154 PolarHBondContact O-N 2.65Å; L154-M156 VanDerWaalsContact C-N 3.32Å; L154-M156 PolarHBondContact O-N 3.35Å; L154-R157 PolarHBondContact O-N 3.47Å; L154-T158 WeakPolarHBondContact O-CB 3.41Å; L154-T158 WeakPolarHBondContact O-CG2 3.39Å; L154-T158 PolarHBondContact O-N 2.98Å; L154-T158 PolarHBondContact O-OG1 3.42Å; L154-V165 HydrophobicContact CB-CG1 4.14Å; L154-V165 HydrophobicContact CD1-CG1 4.2Å; L154-F169 HydrophobicContact CD1-CE2 3.84Å; L154-F169 HydrophobicContact CD1-CZ 4.09Å
155A98.1Very high97.4Very high9 Ų959 Ų597%0.07429%0.285CS..Hα-helixtrans-60.7-43.3177.600000111.1R151 E152 Q153 E159 L160 E162 V165R151-A155 WeakPolarHBondContact O-CB 3.43Å; R151-A155 PolarHBondContact O-N 2.92Å; E152-A155 WeakPolarHBondContact O-CB 3.46Å; E152-A155 PolarHBondContact O-N 3Å; E152-A155 VanDerWaalsContact O-N 3.15Å; Q153-A155 VanDerWaalsContact C-N 3.32Å; Q153-A155 PolarHBondContact O-N 3.19Å; A155-E159 WeakPolarHBondContact O-CA 3.25Å; A155-E159 PolarHBondContact O-N 3.36Å; A155-L160 CarbonylContact C-O 3.5Å; A155-L160 WeakPolarHBondContact CB-O 3.47Å; A155-L160 PolarHBondContact O-N 3.3Å; A155-L160 VanDerWaalsContact O-O 3.11Å; A155-E162 HydrophobicContact CB-CB 4.39Å; A155-V165 HydrophobicContact CB-CG2 4.11Å
156M97.4Very high97.4Very high134 Ų13455.2 Ų55.266%0.6627%0.273SS*.Hα-helixtrans-63.9-44.9174.4-66.6-17668.100112.7E152 Q153 L154E152-M156 PolarHBondContact O-N 3Å; Q153-M156 PolarHBondContact O-N 3.04Å; L154-M156 VanDerWaalsContact C-N 3.32Å; L154-M156 PolarHBondContact O-N 3.35Å
157R95.5Very high97.5Very high47 Ų4758 Ų5818%0.17729%0.289CS..Hα-helixtrans-64.9-41.3179.5-94.8-166.8159.287.28.3113.7M17 S20 Q153 L154M17-R157 PolarHBondContact O-NH2 3.5Å; M17-R157 HydrophobicContact SD-CG 4.14Å; S20-R157 VanDerWaalsContact CB-NH1 3.34Å; S20-R157 PolarHBondContact O-NH1 3.27Å; S20-R157 PolarHBondContact OG-NH1 2.96Å; Q153-R157 PolarHBondContact O-N 2.78Å; L154-R157 PolarHBondContact O-N 3.47Å
158T96.8Very high97.6Very high8 Ų854 Ų545%0.04927%0.267CS..Hα-helixtrans-90.7-2.7-17557.90000113.1Q132 E135 L136 L154 L160Q132-T158 HydrophobicContact CB-CG2 4.42Å; Q132-T158 HydrophobicContact CG-CG2 4.48Å; Q132-T158 PolarHBondContact NE2-O 3.43Å; E135-T158 HydrophobicContact CB-CG2 4.17Å; E135-T158 HydrophobicContact CG-CG2 4.32Å; L136-T158 HydrophobicContact CG-CG2 4.39Å; L154-T158 WeakPolarHBondContact O-CB 3.41Å; L154-T158 WeakPolarHBondContact O-CG2 3.39Å; L154-T158 PolarHBondContact O-N 2.98Å; L154-T158 PolarHBondContact O-OG1 3.42Å; T158-L160 VanDerWaalsContact C-N 3.29Å; T158-L160 PolarHBondContact O-N 2.87Å; T158-L160 WeakPolarHBondContact OG1-CD1 3.46Å
159E97.8Very high97.6Very high144 Ų14451.1 Ų51.167%0.67325%0.249SC*.THydrogen-bonded Turntrans55.743.8-174.9-56.4-172.6171.800112.2K13 A155K13-E159 IonicContact NZ-OE1 3.24Å; K13-E159 PolarHBondContact NZ-OE1 2.81Å; A155-E159 WeakPolarHBondContact O-CA 3.25Å; A155-E159 PolarHBondContact O-N 3.36Å
160L96.8Very high97.7Very high28 Ų2851.4 Ų51.415%0.14725%0.253CS..  trans-120168.1177.8-63173.4000110T126 F128 A155 T158 R164 V165T126-L160 HydrophobicContact CG2-CD2 4.16Å; F128-L160 HydrophobicContact CD1-CD1 3.69Å; F128-L160 HydrophobicContact CD1-CD2 4.42Å; F128-L160 HydrophobicContact CE1-CD1 3.59Å; F128-L160 HydrophobicContact CE1-CD2 4.38Å; A155-L160 CarbonylContact C-O 3.5Å; A155-L160 WeakPolarHBondContact CB-O 3.47Å; A155-L160 PolarHBondContact O-N 3.3Å; A155-L160 VanDerWaalsContact O-O 3.11Å; T158-L160 VanDerWaalsContact C-N 3.29Å; T158-L160 PolarHBondContact O-N 2.87Å; T158-L160 WeakPolarHBondContact OG1-CD1 3.46Å; L160-R164 HydrophobicContact CB-CB 4.31Å; L160-V165 HydrophobicContact CB-CG2 4.37Å
161T97.9Very high97.7Very high83 Ų8355.1 Ų55.151%0.50927%0.272SS..  trans-83149.6167.873.10000110.7A163 R164 V165T161-A163 PolarHBondContact O-N 3.24Å; T161-A163 VanDerWaalsContact O-N 3.16Å; T161-R164 WeakPolarHBondContact O-CA 3.48Å; T161-R164 WeakPolarHBondContact O-CB 3.45Å; T161-R164 PolarHBondContact O-N 3.43Å; T161-R164 WeakPolarHBondContact OG1-CG 3.37Å; T161-V165 PolarHBondContact O-N 3.26Å
162E97.9Very high97.7Very high49 Ų4956 Ų5623%0.22928%0.276CS..Hα-helixtrans-50.5-41.8176.4-176-79.8162.400111.2R151 E152 A155 R164 V165 Q166R151-E162 HydrophobicContact CB-CG 3.99Å; R151-E162 IonicContact CZ-OE1 3.26Å; R151-E162 VanDerWaalsContact CZ-OE1 3.26Å; R151-E162 IonicContact NE-OE1 2.74Å; R151-E162 PolarHBondContact NE-OE1 3.16Å; R151-E162 IonicContact NH2-OE1 2.88Å; R151-E162 PolarHBondContact NH2-OE1 3.46Å; E152-E162 HydrophobicContact CG-CG 4.07Å; A155-E162 HydrophobicContact CB-CB 4.39Å; E162-R164 VanDerWaalsContact C-N 3.28Å; E162-R164 PolarHBondContact O-N 2.92Å; E162-V165 CarbonylContact O-C 3.58Å; E162-V165 WeakPolarHBondContact O-CA 3.48Å; E162-V165 WeakPolarHBondContact O-CB 3.44Å; E162-V165 PolarHBondContact O-N 2.97Å; E162-Q166 WeakPolarHBondContact O-CB 3.35Å; E162-Q166 PolarHBondContact O-N 3.14Å
163A97.5Very high97.7Very high39 Ų3953.6 Ų53.632%0.32226%0.262SS..Hα-helixtrans-60.4-34.317700000113.1T161 V167T161-A163 PolarHBondContact O-N 3.24Å; T161-A163 VanDerWaalsContact O-N 3.16Å; A163-V167 WeakPolarHBondContact O-CB 3.4Å; A163-V167 VanDerWaalsContact O-CG2 3.23Å; A163-V167 WeakPolarHBondContact O-CG2 3.4Å; A163-V167 PolarHBondContact O-N 3.15Å
164R97.9Very high97.7Very high99 Ų9954 Ų5437%0.37427%0.271SS..Hα-helixtrans-68.5-42.2174.1-64-59.596147.59111T126 L160 T161 E162 V167 W168T126-R164 WeakPolarHBondContact OG1-CD 3.48Å; L160-R164 HydrophobicContact CB-CB 4.31Å; T161-R164 WeakPolarHBondContact O-CA 3.48Å; T161-R164 WeakPolarHBondContact O-CB 3.45Å; T161-R164 PolarHBondContact O-N 3.43Å; T161-R164 WeakPolarHBondContact OG1-CG 3.37Å; E162-R164 VanDerWaalsContact C-N 3.28Å; E162-R164 PolarHBondContact O-N 2.92Å; R164-V167 PolarHBondContact O-N 3.39Å; R164-W168 WeakPolarHBondContact O-CB 3.18Å; R164-W168 PolarHBondContact O-N 3.44Å
165V98.3Very high97.6Very high0 Ų060.8 Ų60.80%030%0.301CS..Hα-helixtrans-61.2-48.3175.5177.80000109.8L136 R151 L154 A155 L160 T161 E162 V167 W168 F169L136-V165 HydrophobicContact CD2-CG1 3.89Å; L136-V165 HydrophobicContact CD2-CG2 4.32Å; R151-V165 HydrophobicContact CB-CG1 4.19Å; R151-V165 HydrophobicContact CG-CG1 4.23Å; L154-V165 HydrophobicContact CB-CG1 4.14Å; L154-V165 HydrophobicContact CD1-CG1 4.2Å; A155-V165 HydrophobicContact CB-CG2 4.11Å; L160-V165 HydrophobicContact CB-CG2 4.37Å; T161-V165 PolarHBondContact O-N 3.26Å; E162-V165 CarbonylContact O-C 3.58Å; E162-V165 WeakPolarHBondContact O-CA 3.48Å; E162-V165 WeakPolarHBondContact O-CB 3.44Å; E162-V165 PolarHBondContact O-N 2.97Å; V165-V167 PolarHBondContact O-N 3.31Å; V165-W168 WeakPolarHBondContact O-CB 3.41Å; V165-W168 PolarHBondContact O-N 3.44Å; V165-W168 VanDerWaalsContact O-N 3.11Å; V165-F169 HydrophobicContact CG1-CD2 3.83Å; V165-F169 HydrophobicContact CG1-CE2 3.86Å; V165-F169 WeakPolarHBondContact O-CD2 3.24Å; V165-F169 PolarHBondContact O-N 2.9Å
166Q98.3Very high97.5Very high74 Ų7466 Ų6635%0.34632%0.318SS..Hα-helixtrans-55.2-50176.4-169.8-164.90.200111.9E162 W168 F169 Q170E162-Q166 WeakPolarHBondContact O-CB 3.35Å; E162-Q166 PolarHBondContact O-N 3.14Å; Q166-W168 VanDerWaalsContact C-N 3.31Å; Q166-W168 PolarHBondContact O-N 3.41Å; Q166-F169 PolarHBondContact O-N 3.05Å; Q166-Q170 WeakPolarHBondContact O-CG 3.47Å; Q166-Q170 PolarHBondContact O-N 3.45Å
167V98.2Very high97.3Very high64 Ų6465.2 Ų65.239%0.38831%0.308SS..Hα-helixtrans-63.7-37.6178170.30000111.4A163 R164 V165 Q170 N171A163-V167 WeakPolarHBondContact O-CB 3.4Å; A163-V167 VanDerWaalsContact O-CG2 3.23Å; A163-V167 WeakPolarHBondContact O-CG2 3.4Å; A163-V167 PolarHBondContact O-N 3.15Å; R164-V167 PolarHBondContact O-N 3.39Å; V165-V167 PolarHBondContact O-N 3.31Å; V167-Q170 PolarHBondContact O-N 3.14Å; V167-N171 WeakPolarHBondContact O-CB 3.45Å; V167-N171 PolarHBondContact O-N 2.95Å; V167-N171 PolarHBondContact O-ND2 3.36Å; V167-N171 VanDerWaalsContact O-ND2 3.14Å
168W98.2Very high97.1Very high24 Ų2468.4 Ų68.49%0.09132%0.323CS..Hα-helixtrans-60.8-49175.2-173.3101.9000111.2F128 L133 L136 F140 R164 V165 Q166 Q170 N171 R172F128-W168 AromaticContact CD2-CD1 4Å; F128-W168 AromaticContact CE2-CD1 3.71Å; F128-W168 HydrophobicContact CZ-CB 4.22Å; F128-W168 AromaticContact CZ-CD1 3.78Å; F128-W168 HydrophobicContact CZ-CG 4.4Å; L133-W168 HydrophobicContact CD2-CZ2 4.24Å; L136-W168 HydrophobicContact CB-CD2 4.11Å; L136-W168 HydrophobicContact CB-CE3 3.96Å; L136-W168 HydrophobicContact CB-CH2 3.68Å; L136-W168 HydrophobicContact CB-CZ2 3.8Å; L136-W168 HydrophobicContact CB-CZ3 3.76Å; L136-W168 HydrophobicContact CD1-CD2 3.86Å; L136-W168 HydrophobicContact CD1-CE3 4.39Å; L136-W168 HydrophobicContact CD1-CG 3.9Å; L136-W168 HydrophobicContact CD2-CE3 4.49Å; L136-W168 HydrophobicContact CG-CD2 4.45Å; F140-W168 HydrophobicContact CB-CH2 4.48Å; F140-W168 HydrophobicContact CB-CZ3 4.33Å; F140-W168 HydrophobicContact CD2-CZ3 4.5Å; R164-W168 WeakPolarHBondContact O-CB 3.18Å; R164-W168 PolarHBondContact O-N 3.44Å; V165-W168 WeakPolarHBondContact O-CB 3.41Å; V165-W168 PolarHBondContact O-N 3.44Å; V165-W168 VanDerWaalsContact O-N 3.11Å; Q166-W168 VanDerWaalsContact C-N 3.31Å; Q166-W168 PolarHBondContact O-N 3.41Å; W168-Q170 PolarHBondContact O-N 3.27Å; W168-N171 PolarHBondContact O-N 3.33Å; W168-R172 HydrophobicContact CE3-CB 4.09Å; W168-R172 HydrophobicContact CH2-CB 4.21Å; W168-R172 HydrophobicContact CH2-CG 3.89Å; W168-R172 HydrophobicContact CZ3-CB 3.89Å; W168-R172 HydrophobicContact CZ3-CG 3.9Å; W168-R172 WeakPolarHBondContact O-CB 3.44Å; W168-R172 PolarHBondContact O-N 3.13Å
169F98.6Very high96.6Very high1 Ų176.8 Ų76.80%0.00435%0.354CS..Hα-helixtrans-63.1-38.7178.1-89.1-90.4000112.3L136 V139 F140 P146 L154 V165 Q166 R172 R173L136-F169 HydrophobicContact CD2-CE2 3.93Å; V139-F169 HydrophobicContact CB-CZ 4.27Å; V139-F169 HydrophobicContact CG1-CZ 4.13Å; F140-F169 HydrophobicContact CB-CE1 4Å; F140-F169 AromaticContact CD2-CD1 3.79Å; F140-F169 HydrophobicContact CD2-CD1 3.79Å; F140-F169 AromaticContact CD2-CE1 3.77Å; F140-F169 HydrophobicContact CD2-CE1 3.77Å; F140-F169 HydrophobicContact CG-CE1 4.4Å; P146-F169 VanDerWaalsContact CD-CD1 3.43Å; P146-F169 HydrophobicContact CG-CD1 3.58Å; P146-F169 HydrophobicContact CG-CD2 4.01Å; P146-F169 HydrophobicContact CG-CE1 3.54Å; P146-F169 HydrophobicContact CG-CE2 3.98Å; P146-F169 HydrophobicContact CG-CG 3.84Å; P146-F169 HydrophobicContact CG-CZ 3.76Å; L154-F169 HydrophobicContact CD1-CE2 3.84Å; L154-F169 HydrophobicContact CD1-CZ 4.09Å; V165-F169 HydrophobicContact CG1-CD2 3.83Å; V165-F169 HydrophobicContact CG1-CE2 3.86Å; V165-F169 WeakPolarHBondContact O-CD2 3.24Å; V165-F169 PolarHBondContact O-N 2.9Å; Q166-F169 PolarHBondContact O-N 3.05Å; F169-R172 PolarHBondContact O-N 3.5Å; F169-R173 WeakPolarHBondContact O-CB 3.47Å; F169-R173 WeakPolarHBondContact O-CG 3.32Å; F169-R173 PolarHBondContact O-N 3.05Å
170Q98.4Very high95.4Very high87 Ų8775.8 Ų75.841%0.40735%0.35SS..Hα-helixtrans-59.7-47.9173.2-71.9176.22700111.7Q166 V167 W168 R172 R173 A174Q166-Q170 WeakPolarHBondContact O-CG 3.47Å; Q166-Q170 PolarHBondContact O-N 3.45Å; V167-Q170 PolarHBondContact O-N 3.14Å; W168-Q170 PolarHBondContact O-N 3.27Å; Q170-R172 VanDerWaalsContact C-N 3.34Å; Q170-R172 PolarHBondContact O-N 3.21Å; Q170-R173 PolarHBondContact O-N 3.21Å; Q170-A174 WeakPolarHBondContact O-CB 3.23Å; Q170-A174 PolarHBondContact O-N 2.99Å
171N97.9Very high94.1Very high92 Ų9282.6 Ų82.649%0.49237%0.373SS..Hα-helixtrans-64.9-39.1178-75-35.8000112V167 W168 A174 K175V167-N171 WeakPolarHBondContact O-CB 3.45Å; V167-N171 PolarHBondContact O-N 2.95Å; V167-N171 PolarHBondContact O-ND2 3.36Å; V167-N171 VanDerWaalsContact O-ND2 3.14Å; W168-N171 PolarHBondContact O-N 3.33Å; N171-A174 PolarHBondContact O-N 3.37Å; N171-K175 WeakPolarHBondContact O-CG 3.2Å; N171-K175 PolarHBondContact O-N 3.34Å
172R98Very high92.4Very high67 Ų6784.3 Ų84.325%0.25337%0.371SS..Hα-helixtrans-63-49.4177.5-174.467.8-171172.8-0.4110.9E137 F140 W168 F169 Q170 A174 K175 W176E137-R172 VanDerWaalsContact CD-CZ 3.48Å; E137-R172 IonicContact OE1-CZ 3.25Å; E137-R172 VanDerWaalsContact OE1-CZ 3.25Å; E137-R172 IonicContact OE1-NE 3.35Å; E137-R172 PolarHBondContact OE1-NE 3.09Å; E137-R172 IonicContact OE1-NH2 2.65Å; E137-R172 PolarHBondContact OE1-NH2 3.27Å; E137-R172 IonicContact OE2-CZ 2.93Å; E137-R172 IonicContact OE2-NE 2.92Å; E137-R172 PolarHBondContact OE2-NE 3.04Å; E137-R172 IonicContact OE2-NH1 3.5Å; E137-R172 IonicContact OE2-NH2 3.13Å; E137-R172 PolarHBondContact OE2-NH2 3.32Å; E137-R172 VanDerWaalsContact OE2-NH2 3.13Å; F140-R172 HydrophobicContact CD1-CG 3.89Å; F140-R172 HydrophobicContact CD2-CB 4.24Å; F140-R172 HydrophobicContact CD2-CG 3.52Å; F140-R172 HydrophobicContact CE1-CG 3.75Å; F140-R172 HydrophobicContact CE2-CB 3.98Å; F140-R172 HydrophobicContact CE2-CG 3.37Å; F140-R172 HydrophobicContact CG-CG 3.79Å; F140-R172 HydrophobicContact CZ-CB 4.42Å; F140-R172 HydrophobicContact CZ-CG 3.5Å; F140-R172 VanDerWaalsContact CZ-CG 3.5Å; W168-R172 HydrophobicContact CE3-CB 4.09Å; W168-R172 HydrophobicContact CH2-CB 4.21Å; W168-R172 HydrophobicContact CH2-CG 3.89Å; W168-R172 HydrophobicContact CZ3-CB 3.89Å; W168-R172 HydrophobicContact CZ3-CG 3.9Å; W168-R172 WeakPolarHBondContact O-CB 3.44Å; W168-R172 PolarHBondContact O-N 3.13Å; F169-R172 PolarHBondContact O-N 3.5Å; Q170-R172 VanDerWaalsContact C-N 3.34Å; Q170-R172 PolarHBondContact O-N 3.21Å; R172-A174 VanDerWaalsContact C-N 3.31Å; R172-A174 PolarHBondContact O-N 2.95Å; R172-K175 PolarHBondContact O-N 2.8Å; R172-W176 PolarHBondContact O-N 3.35Å
173R97.8Very high90.6Very high44 Ų4483.8 Ų83.817%0.16638%0.379CS..Hα-helixtrans-60.3-37.8174-72.3-164.3-62.6-87.13.8112.9F140 H144 Y145 F169 Q170 W176 R177F140-R173 HydrophobicContact CE2-CG 3.89Å; F140-R173 HydrophobicContact CZ-CG 4.44Å; H144-R173 HydrophobicContact CB-CG 4.28Å; H144-R173 VanDerWaalsContact O-CD 3.24Å; H144-R173 WeakPolarHBondContact O-CD 3.38Å; H144-R173 PolarHBondContact O-NH1 3.47Å; Y145-R173 VanDerWaalsContact CE1-CD 3.48Å; Y145-R173 VanDerWaalsContact CE1-NE 3.28Å; F169-R173 WeakPolarHBondContact O-CB 3.47Å; F169-R173 WeakPolarHBondContact O-CG 3.32Å; F169-R173 PolarHBondContact O-N 3.05Å; Q170-R173 PolarHBondContact O-N 3.21Å; R173-W176 PolarHBondContact O-N 3.24Å; R173-R177 PolarHBondContact O-N 3.27Å
174A97.2Very high88.7Confident40 Ų4088.4 Ų88.433%0.33139%0.394SS..Hα-helixtrans-62.6-43.9176.500000111.9Q170 N171 R172 K178Q170-A174 WeakPolarHBondContact O-CB 3.23Å; Q170-A174 PolarHBondContact O-N 2.99Å; N171-A174 PolarHBondContact O-N 3.37Å; R172-A174 VanDerWaalsContact C-N 3.31Å; R172-A174 PolarHBondContact O-N 2.95Å; A174-K178 WeakPolarHBondContact O-CB 3.47Å; A174-K178 PolarHBondContact O-N 2.94Å
175K95.8Very high86.8Confident143 Ų14387.9 Ų87.962%0.62240%0.397SS*.Hα-helixtrans-64.1-41.8174.3-69.2179-169.9179.30111.8N171 R172 K178 R179N171-K175 WeakPolarHBondContact O-CG 3.2Å; N171-K175 PolarHBondContact O-N 3.34Å; R172-K175 PolarHBondContact O-N 2.8Å; K175-K178 PolarHBondContact O-N 3.13Å; K175-R179 PolarHBondContact O-N 3.48Å
176W94.5Very high84.8Confident118 Ų11894.4 Ų94.445%0.44743%0.428SS..Hα-helixtrans-58.9-52.8177.8-177.690.2000111.4F140 R172 R173 K178 R179 E180F140-W176 HydrophobicContact CZ-CB 4.31Å; F140-W176 HydrophobicContact CZ-CG 4.46Å; R172-W176 PolarHBondContact O-N 3.35Å; R173-W176 PolarHBondContact O-N 3.24Å; W176-K178 VanDerWaalsContact C-N 3.26Å; W176-K178 PolarHBondContact O-N 3.33Å; W176-R179 WeakPolarHBondContact O-CB 3.38Å; W176-R179 PolarHBondContact O-N 3.02Å; W176-R179 VanDerWaalsContact O-N 3.14Å; W176-E180 PolarHBondContact O-N 3.46Å
177R94.7Very high82.7Confident119 Ų11997.2 Ų97.245%0.44944%0.441SS..Hα-helixtrans-61.1-32.9174.7-71.6-173.1-77.8100.1-2.6113R173 R181R173-R177 PolarHBondContact O-N 3.27Å; R177-R181 PolarHBondContact O-N 3.41Å
178K91.1Very high80.7Confident114 Ų11497.1 Ų97.150%0.49645%0.447SS..Hα-helixtrans-68.9-39.2177.4-169.8174.1-177.3-1800111.4A174 K175 W176 E180 R181 Y182A174-K178 WeakPolarHBondContact O-CB 3.47Å; A174-K178 PolarHBondContact O-N 2.94Å; K175-K178 PolarHBondContact O-N 3.13Å; W176-K178 VanDerWaalsContact C-N 3.26Å; W176-K178 PolarHBondContact O-N 3.33Å; K178-E180 VanDerWaalsContact C-N 3.31Å; K178-E180 PolarHBondContact O-N 3.26Å; K178-R181 PolarHBondContact O-N 3.25Å; K178-Y182 HydrophobicContact CD-CD2 4.37Å; K178-Y182 HydrophobicContact CD-CE2 3.88Å; K178-Y182 WeakPolarHBondContact CE-OH 3.2Å; K178-Y182 HydrophobicContact CG-CD2 3.52Å; K178-Y182 HydrophobicContact CG-CE2 3.44Å; K178-Y182 VanDerWaalsContact CG-CE2 3.44Å; K178-Y182 VanDerWaalsContact O-CD2 3.24Å; K178-Y182 WeakPolarHBondContact O-CD2 3.24Å; K178-Y182 PolarHBondContact O-N 2.77Å
179R86.3Confident78.5Confident184 Ų184103.2 Ų103.269%0.69447%0.474SS*.Hα-helixtrans-59.3-42.8179-173.9179.5-69.8166.3-4.3111.7K175 W176 R181 Y182 G183K175-R179 PolarHBondContact O-N 3.48Å; W176-R179 WeakPolarHBondContact O-CB 3.38Å; W176-R179 PolarHBondContact O-N 3.02Å; W176-R179 VanDerWaalsContact O-N 3.14Å; R179-R181 PolarHBondContact O-N 2.97Å; R179-Y182 PolarHBondContact O-N 3.33Å; R179-G183 PolarHBondContact O-N 3.27Å
180E72.4Confident76.4Confident123 Ų123106.9 Ų106.958%0.57550%0.5SS*.Hα-helixtrans-61.2-42.7177.8-169.4176.5-164.900112.4W176 K178W176-E180 PolarHBondContact O-N 3.46Å; K178-E180 VanDerWaalsContact C-N 3.31Å; K178-E180 PolarHBondContact O-N 3.26Å
181R68.6Low74.2Confident171 Ų171109.3 Ų109.365%0.64551%0.511SS*.Hα-helixtrans-73-30178.1-66.5-157.7-68.3-178.9-1.9114.1R177 K178 R179 I185R177-R181 PolarHBondContact O-N 3.41Å; K178-R181 PolarHBondContact O-N 3.25Å; R179-R181 PolarHBondContact O-N 2.97Å; R181-I185 PolarHBondContact O-N 3.29Å
182Y61.9Low72Confident118 Ų118111.1 Ų111.146%0.46352%0.515SS..Hα-helixtrans-76.9-24.6179.6-88.3-106.7000113.2K178 R179 Q186K178-Y182 HydrophobicContact CD-CD2 4.37Å; K178-Y182 HydrophobicContact CD-CE2 3.88Å; K178-Y182 WeakPolarHBondContact CE-OH 3.2Å; K178-Y182 HydrophobicContact CG-CD2 3.52Å; K178-Y182 HydrophobicContact CG-CE2 3.44Å; K178-Y182 VanDerWaalsContact CG-CE2 3.44Å; K178-Y182 VanDerWaalsContact O-CD2 3.24Å; K178-Y182 WeakPolarHBondContact O-CD2 3.24Å; K178-Y182 PolarHBondContact O-N 2.77Å; R179-Y182 PolarHBondContact O-N 3.33Å; Y182-Q186 WeakPolarHBondContact O-CG 3.41Å; Y182-Q186 PolarHBondContact O-N 2.97Å
183G60.1Low69.9Low38 Ų38111 Ų11139%0.39253%0.529SS..Hα-helixtrans-61.3-43.5170.500000112.5R179 Q187R179-G183 PolarHBondContact O-N 3.27Å; G183-Q187 PolarHBondContact O-N 3.01Å
184Q58.6Low67.9Low136 Ų136112.5 Ų112.564%0.63655%0.55SS**Hα-helixtrans-71.9-36.7178.4-68.4179.820.600113Q187 A188Q184-Q187 PolarHBondContact O-N 2.87Å; Q184-A188 PolarHBondContact O-N 3.06Å
185I58.9Low65.8Low88 Ų88115.3 Ų115.345%0.45156%0.563SS.*Hα-helixtrans-72.3-32.1179-79158.4000112.5R181 A188 K189R181-I185 PolarHBondContact O-N 3.29Å; I185-A188 PolarHBondContact O-N 2.94Å; I185-K189 PolarHBondContact O-N 2.78Å
186Q55.8Low63.6Low137 Ų137115.1 Ų115.164%0.6456%0.56SS**Hα-helixtrans-69-36.3171.4-75.8-168.9-300111.7Y182 K189 S190Y182-Q186 WeakPolarHBondContact O-CG 3.41Å; Y182-Q186 PolarHBondContact O-N 2.97Å; Q186-K189 PolarHBondContact O-N 3.48Å; Q186-S190 VanDerWaalsContact O-CB 3.26Å; Q186-S190 WeakPolarHBondContact O-CB 3.44Å; Q186-S190 PolarHBondContact O-N 3.32Å
187Q54.2Low61.3Low134 Ų134114 Ų11463%0.62656%0.563SS**Hα-helixtrans-65-38.6171.6-71.9-179.1-5.200112.1G183 Q184 S190 H191G183-Q187 PolarHBondContact O-N 3.01Å; Q184-Q187 PolarHBondContact O-N 2.87Å; Q187-S190 CarbonylContact O-C 3.6Å; Q187-S190 PolarHBondContact O-N 2.65Å; Q187-H191 WeakPolarHBondContact O-CB 3.49Å; Q187-H191 PolarHBondContact O-N 2.79Å
188A55.5Low59.1Low62 Ų62115.4 Ų115.451%0.51258%0.578SS.*Hα-helixtrans-67.8-36.7174.500000113Q184 I185 H191 F192Q184-A188 PolarHBondContact O-N 3.06Å; I185-A188 PolarHBondContact O-N 2.94Å; A188-H191 PolarHBondContact O-N 2.94Å; A188-F192 WeakPolarHBondContact O-CB 3.26Å; A188-F192 PolarHBondContact O-N 3.36Å
189K52.3Low57.2Low151 Ų151115 Ų11566%0.65759%0.589SS**Hα-helixtrans-71.1-32.4172-81-178.3170.2-173.20112.8I185 Q186 A193I185-K189 PolarHBondContact O-N 2.78Å; Q186-K189 PolarHBondContact O-N 3.48Å; K189-A193 VanDerWaalsContact O-CB 3.24Å; K189-A193 WeakPolarHBondContact O-CB 3.14Å; K189-A193 PolarHBondContact O-N 3.44Å
190S54Low55.4Low79 Ų79111.3 Ų111.355%0.55259%0.587SS**Hα-helixtrans-72.7-34.5173.4-160.80000111.5Q186 Q187 A194Q186-S190 VanDerWaalsContact O-CB 3.26Å; Q186-S190 WeakPolarHBondContact O-CB 3.44Å; Q186-S190 PolarHBondContact O-N 3.32Å; Q187-S190 CarbonylContact O-C 3.6Å; Q187-S190 PolarHBondContact O-N 2.65Å; S190-A194 WeakPolarHBondContact O-CB 3.38Å; S190-A194 PolarHBondContact O-N 3.42Å
191H53.2Low54.4Low137 Ų137111.6 Ų111.663%0.63459%0.592SS**Hα-helixtrans-69.1-43.6171.8-103.5-86.6000111.7Q187 A188 A194 T195Q187-H191 WeakPolarHBondContact O-CB 3.49Å; Q187-H191 PolarHBondContact O-N 2.79Å; A188-H191 PolarHBondContact O-N 2.94Å; H191-A194 PolarHBondContact O-N 3.36Å; H191-T195 WeakPolarHBondContact O-CG2 3.24Å; H191-T195 PolarHBondContact O-N 2.82Å; H191-T195 PolarHBondContact O-OG1 3.2Å
192F51.4Low53.3Low130 Ų130109.3 Ų109.357%0.5760%0.599SS**Hα-helixtrans-60.1-48.2173.8-170.6-92000110.4A188 A194 T195 Y196A188-F192 WeakPolarHBondContact O-CB 3.26Å; A188-F192 PolarHBondContact O-N 3.36Å; F192-A194 VanDerWaalsContact C-N 3.3Å; F192-A194 PolarHBondContact O-N 3.36Å; F192-T195 WeakPolarHBondContact CA-OG1 2.99Å; F192-T195 PolarHBondContact O-N 3.43Å; F192-T195 PolarHBondContact O-OG1 3.3Å; F192-Y196 AromaticContact CD1-CD2 3.75Å; F192-Y196 HydrophobicContact CD1-CD2 3.75Å; F192-Y196 AromaticContact CD1-CE2 3.54Å; F192-Y196 HydrophobicContact CD1-CE2 3.54Å; F192-Y196 HydrophobicContact CD2-CD2 4.45Å; F192-Y196 AromaticContact CD2-CE2 3.51Å; F192-Y196 HydrophobicContact CD2-CE2 3.51Å; F192-Y196 AromaticContact CE1-CD2 3.63Å; F192-Y196 HydrophobicContact CE1-CD2 3.63Å; F192-Y196 AromaticContact CE1-CE2 3.27Å; F192-Y196 HydrophobicContact CE1-CE2 3.27Å; F192-Y196 HydrophobicContact CE2-CD2 4.36Å; F192-Y196 AromaticContact CE2-CE2 3.25Å; F192-Y196 HydrophobicContact CE2-CE2 3.25Å; F192-Y196 AromaticContact CE2-CZ 3.68Å; F192-Y196 VanDerWaalsContact CE2-OH 3.27Å; F192-Y196 WeakPolarHBondContact CE2-OH 3.48Å; F192-Y196 HydrophobicContact CG-CD2 4.17Å; F192-Y196 AromaticContact CG-CE2 3.65Å; F192-Y196 HydrophobicContact CG-CE2 3.65Å; F192-Y196 AromaticContact CZ-CD2 3.95Å; F192-Y196 HydrophobicContact CZ-CD2 3.95Å; F192-Y196 AromaticContact CZ-CE2 3.12Å; F192-Y196 HydrophobicContact CZ-CE2 3.12Å; F192-Y196 AromaticContact CZ-CZ 3.63Å; F192-Y196 WeakPolarHBondContact O-CD2 3.39Å; F192-Y196 PolarHBondContact O-N 3.43Å; F192-Y196 VanDerWaalsContact O-N 3.13Å
193A54.8Low52.5Low66 Ų66114.7 Ų114.755%0.54562%0.619SS.*Hα-helixtrans-65.6-26.8176.300000114.1K189K189-A193 VanDerWaalsContact O-CB 3.24Å; K189-A193 WeakPolarHBondContact O-CB 3.14Å; K189-A193 PolarHBondContact O-N 3.44Å
194A54.6Low51.7Low75 Ų75118.3 Ų118.362%0.6264%0.638SS**Hα-helixtrans-81.8-25.8174.200000112.8S190 H191 F192S190-A194 WeakPolarHBondContact O-CB 3.38Å; S190-A194 PolarHBondContact O-N 3.42Å; H191-A194 PolarHBondContact O-N 3.36Å; F192-A194 VanDerWaalsContact C-N 3.3Å; F192-A194 PolarHBondContact O-N 3.36Å
195T54.2Low51.1Low98 Ų98119.3 Ų119.360%0.60165%0.648SS**Hα-helixtrans-79.7-24174.548.90000113.3H191 F192H191-T195 WeakPolarHBondContact O-CG2 3.24Å; H191-T195 PolarHBondContact O-N 2.82Å; H191-T195 PolarHBondContact O-OG1 3.2Å; F192-T195 WeakPolarHBondContact CA-OG1 2.99Å; F192-T195 PolarHBondContact O-N 3.43Å; F192-T195 PolarHBondContact O-OG1 3.3Å
196Y48.5Very low50.7Low139 Ų139120.2 Ų120.255%0.54566%0.662SS.*SBendtrans-99.188.2163.8-50.5-78.1000108.2F192 L198F192-Y196 AromaticContact CD1-CD2 3.75Å; F192-Y196 HydrophobicContact CD1-CD2 3.75Å; F192-Y196 AromaticContact CD1-CE2 3.54Å; F192-Y196 HydrophobicContact CD1-CE2 3.54Å; F192-Y196 HydrophobicContact CD2-CD2 4.45Å; F192-Y196 AromaticContact CD2-CE2 3.51Å; F192-Y196 HydrophobicContact CD2-CE2 3.51Å; F192-Y196 AromaticContact CE1-CD2 3.63Å; F192-Y196 HydrophobicContact CE1-CD2 3.63Å; F192-Y196 AromaticContact CE1-CE2 3.27Å; F192-Y196 HydrophobicContact CE1-CE2 3.27Å; F192-Y196 HydrophobicContact CE2-CD2 4.36Å; F192-Y196 AromaticContact CE2-CE2 3.25Å; F192-Y196 HydrophobicContact CE2-CE2 3.25Å; F192-Y196 AromaticContact CE2-CZ 3.68Å; F192-Y196 VanDerWaalsContact CE2-OH 3.27Å; F192-Y196 WeakPolarHBondContact CE2-OH 3.48Å; F192-Y196 HydrophobicContact CG-CD2 4.17Å; F192-Y196 AromaticContact CG-CE2 3.65Å; F192-Y196 HydrophobicContact CG-CE2 3.65Å; F192-Y196 AromaticContact CZ-CD2 3.95Å; F192-Y196 HydrophobicContact CZ-CD2 3.95Å; F192-Y196 AromaticContact CZ-CE2 3.12Å; F192-Y196 HydrophobicContact CZ-CE2 3.12Å; F192-Y196 AromaticContact CZ-CZ 3.63Å; F192-Y196 WeakPolarHBondContact O-CD2 3.39Å; F192-Y196 PolarHBondContact O-N 3.43Å; F192-Y196 VanDerWaalsContact O-N 3.13Å; Y196-L198 PolarHBondContact O-N 3.08Å
197D46.6Very low49.7Very low96 Ų96123.2 Ų123.251%0.51367%0.669SS.*  trans-55.984.9163.5-177.213.8000110S199 V200D197-S199 PolarHBondContact O-N 3.21Å; D197-S199 WeakPolarHBondContact OD1-CA 3.4Å; D197-S199 WeakPolarHBondContact OD1-CB 3.19Å; D197-S199 PolarHBondContact OD1-N 2.86Å; D197-S199 VanDerWaalsContact OD1-N 3.07Å; D197-S199 PolarHBondContact OD1-OG 2.83Å; D197-V200 WeakPolarHBondContact OD2-CG2 3.39Å
198L47.6Very low49.2Very low148 Ų148122.4 Ų122.478%0.77567%0.673SS**THydrogen-bonded Turntrans-77.414.2171-157.568.2000111Y196 L201Y196-L198 PolarHBondContact O-N 3.08Å; L198-L201 HydrophobicContact CD1-CD1 4.33Å
199S51.1Low48.6Very low104 Ų104128.6 Ų128.673%0.72769%0.691SS**THydrogen-bonded Turntrans-92.4-7.5179.9-160000113.4D197D197-S199 PolarHBondContact O-N 3.21Å; D197-S199 WeakPolarHBondContact OD1-CA 3.4Å; D197-S199 WeakPolarHBondContact OD1-CB 3.19Å; D197-S199 PolarHBondContact OD1-N 2.86Å; D197-S199 VanDerWaalsContact OD1-N 3.07Å; D197-S199 PolarHBondContact OD1-OG 2.83Å
200V49.4Very low48.3Very low108 Ų108127.9 Ų127.966%0.65569%0.693SS**  trans-108.916.9-174.6-174.60000113.3D197D197-V200 WeakPolarHBondContact OD2-CG2 3.39Å
201L51.4Low47.9Very low128 Ų128129.4 Ų129.467%0.6770%0.701SS**SBendtrans-87.3124.3163.7-69.2176.5000109.2L198 R203L198-L201 HydrophobicContact CD1-CD1 4.33Å; L201-R203 PolarHBondContact O-N 2.99Å
202P46.2Very low47.7Very low123 Ų123130.1 Ų130.180%0.79971%0.71SS**  trans-54.3112173.5-2231.6000109.2S204P202-S204 PolarHBondContact O-N 3.36Å; P202-S204 VanDerWaalsContact O-N 3.08Å
203R43.3Very low47.6Very low232 Ų232131 Ų13188%0.87572%0.72SS**  trans-58.3113170.1-90.5-176.5156.7113.1-4107.5L201 D205L201-R203 PolarHBondContact O-N 2.99Å; R203-D205 PolarHBondContact O-N 3.22Å; R203-D205 VanDerWaalsContact O-N 3.15Å
204S44.9Very low46.9Very low114 Ų114135.8 Ų135.880%0.79774%0.736SS**  trans-65.7106.6158.551.20000107.9P202 S206P202-S204 PolarHBondContact O-N 3.36Å; P202-S204 VanDerWaalsContact O-N 3.08Å; S204-S206 PolarHBondContact O-N 2.85Å
205D44.3Very low46.3Very low157 Ų157144 Ų14484%0.8475%0.751SS**  trans-60.198.8167.1-82.4-54.6000109.9R203R203-D205 PolarHBondContact O-N 3.22Å; R203-D205 VanDerWaalsContact O-N 3.15Å
206S51.1Low46.3Very low106 Ų106145.7 Ų145.774%0.74176%0.764SS**  trans171.882.515055.10000111.6S204S204-S206 PolarHBondContact O-N 2.85Å
207Y36Very low45.6Very low201 Ų201144.9 Ų144.979%0.78878%0.778SS**  trans-158.3121.8144.8-153.7-102.2000110.8I210Y207-I210 HydrophobicContact CE1-CD1 4.1Å; Y207-I210 HydrophobicContact CE1-CG1 4.29Å
208T42.7Very low45.5Very low116 Ų116145 Ų14571%0.71279%0.792SS**PPolyproline II helixtrans-57.3144.1179.641.30000112.9I210T208-I210 PolarHBondContact O-N 2.94Å
209Q42.9Very low45.1Very low192 Ų192142.5 Ų142.590%0.89779%0.793SS**PPolyproline II helixtrans-47121.5176.5-66.9-179.6-14.200112.9
210I45.5Very low44.9Very low136 Ų136143.9 Ų143.970%0.69780%0.8SS**PPolyproline II helixtrans-91.6116.2163-58.5170.2000107Y207 T208 N212Y207-I210 HydrophobicContact CE1-CD1 4.1Å; Y207-I210 HydrophobicContact CE1-CG1 4.29Å; T208-I210 PolarHBondContact O-N 2.94Å; I210-N212 PolarHBondContact O-N 3.13Å
211P46.1Very low44.4Very low111 Ų111142.7 Ų142.772%0.72181%0.81SS**PPolyproline II helixtrans-70.7123.9168.927.9-29.8000109.1N213P211-N213 PolarHBondContact O-N 2.92Å; P211-N213 VanDerWaalsContact O-N 3.1Å
212N48.2Very low43.6Very low153 Ų153140.4 Ų140.482%0.81882%0.817SS**  trans-76.190.7-179.1-165.122.4000109.6I210I210-N212 PolarHBondContact O-N 3.13Å
213N49.3Very low43.4Very low148 Ų148140 Ų14079%0.79182%0.817SS**  trans-149.791169-81.4-36.7000110.9P211P211-N213 PolarHBondContact O-N 2.92Å; P211-N213 VanDerWaalsContact O-N 3.1Å
214L40.8Very low43.6Very low166 Ų166135.7 Ų135.787%0.86982%0.816SS**  trans-127.471.9170.2-80.2146.8000110.2
215W43Very low43.7Very low249 Ų249136.4 Ų136.494%0.94382%0.815SS**  trans-120.6112.6148.5-72.175.1000105.6S217W215-S217 PolarHBondContact O-N 2.89Å
216P53.3Low43.5Very low133 Ų133134.5 Ų134.586%0.86481%0.814SS**  trans-79.9109.9-176.328.8-28.7000110
217S34.8Very low42.9Very low121 Ų121134.1 Ų134.185%0.84681%0.811SS**  trans-87.8128155.9-172.90000108W215W215-S217 PolarHBondContact O-N 2.89Å
218A43.9Very low43.7Very low98 Ų98129.9 Ų129.981%0.8181%0.81SS**  trans-72.9134.8-179.100000112.1
219A37.8Very low44.1Very low96 Ų96132.2 Ų132.279%0.79382%0.815SS**  trans-163.3154.2149.300000110
220P48.1Very low44.6Very low133 Ų133130.6 Ų130.686%0.86481%0.811SS**  trans-103.7155.8-148.937.8-31.3000114.1
221G38.5Very low44.8Very low84 Ų84130.3 Ų130.387%0.86682%0.819SS**  trans135.9127.3155.900000114.5
222G34.6Very low44.7Very low79 Ų79136.9 Ų136.981%0.81483%0.829SS**  trans114.577.3159.500000115.5
223S41.8Very low44.2Very low116 Ų116133 Ų13381%0.81183%0.825SS**  trans-68.3126157.6175.60000109.8
224V48Very low44.1Very low140 Ų140131.4 Ų131.485%0.84883%0.825SS**  trans-140.1123.8147.8-70.10000109.4
225V47.4Very low45Very low130 Ų130129 Ų12979%0.78882%0.82SS**  trans-58.5140.2174.6-84.10000113
226S38.9Very low45.6Very low116 Ų116123.2 Ų123.281%0.81182%0.815SS**  -176.9130.1126.9-95.90000115
227S39.5Very low45.3Very low98 Ų98122.3 Ų122.369%0.68581%0.81SS**  trans55.5103.5150.7-75.80000121M229S227-M229 PolarHBondContact O-N 2.92Å
228C52.8Low46Very low112 Ų112123.3 Ų123.376%0.75781%0.81SS**  trans-42.9111.5140.932.90000113.1
229M51.5Low45.8Very low165 Ų165124.9 Ų124.981%0.81381%0.81SS**  trans-137.4110.7151.6-73.3-61.8152.300109S227S227-M229 PolarHBondContact O-N 2.92Å
230L53.2Low45.8Very low158 Ų158125.8 Ų125.883%0.82781%0.811SS**  trans-73.5139.3164.2-84.370.9000109
231P49.9Very low45.3Very low131 Ų131129 Ų12985%0.85181%0.807SS**  trans-98.5110.7147.3-9.928.5000109.5
232R43.4Very low45Very low249 Ų249130.9 Ų130.994%0.9481%0.807SS**  trans-77.6121.3166.6-172.7177.5171.5178.1-2.2107.7
233G38.6Very low45.7Very low72 Ų72135 Ų13574%0.74281%0.805SS**  trans-17196175.700000111.5
234S45.9Very low45.6Very low113 Ų113136.7 Ų136.779%0.7981%0.805SS**PPolyproline II helixtrans-64.8153.9171.436.80000112.5
235P59.5Low45.7Very low116 Ų116135.7 Ų135.775%0.75380%0.801SS**PPolyproline II helixtrans-85.8148.9-171.534.6-33.8000112.4
236P56.6Low45.2Very low128 Ų128141.1 Ų141.183%0.83181%0.807SS**PPolyproline II helixtrans-82.4116.6160.230.5-27.6000109.9
237C47.3Very low45.2Very low113 Ų113140 Ų14076%0.76481%0.805SS**PPolyproline II helixtrans-69.5128.6158.6470000109.7
238V49.1Very low45.1Very low142 Ų142140.2 Ų140.286%0.86181%0.813SS**  trans-177.1113.4132.8-88.30000108.3
239T40.2Very low44.3Very low131 Ų131139.5 Ų139.580%0.80482%0.815SS**  trans-90.9124.6168.3-47.50000108Y241T239-Y241 PolarHBondContact O-N 3.45Å
240S36.1Very low43.6Very low115 Ų115136.3 Ų136.380%0.80482%0.815SS**  trans-63.1115174.5-560000111.3
241Y38.7Very low42.6Very low202 Ų202134.3 Ų134.379%0.79281%0.814SS**  trans-85.1120.7157.7-91.7-89.4000108.7T239T239-Y241 PolarHBondContact O-N 3.45Å
242S32.7Very low41.9Very low122 Ų122134.5 Ų134.585%0.85381%0.813SS**  trans-78.4115.7164.4-74.80000109
243H47.6Very low41.4Very low167 Ų167127.4 Ų127.477%0.77381%0.808SS**PPolyproline II helixtrans-97.3123.7164.8-72.5-81.2000109.2
244N41.3Very low41.2Very low151 Ų151129.3 Ų129.381%0.80782%0.816SS**PPolyproline II helixtrans-79132.5170.3-164.954.3000109.2
245P49.9Very low40.6Very low118 Ų118130.1 Ų130.177%0.76681%0.811SS**PPolyproline II helixtrans-86.6120.8176.932.4-27.6000109.5
246R36.1Very low39.5Very low244 Ų244132.5 Ų132.592%0.92181%0.812SS**PPolyproline II helixtrans-99.7120.2163.7-169.6169.5177.6172.5-2.1108.7
247A40.1Very low38.3Very low92 Ų92130.2 Ų130.276%0.7681%0.812SS**PPolyproline II helixtrans-51.8142.3-177.700000113.9
248A36.4Very low37.7Very low104 Ų104135.6 Ų135.686%0.8682%0.818SS**PPolyproline II helixtrans-64.7128.4158.900000109.9
249A36.6Very low37.2Very low96 Ų96134.6 Ų134.679%0.79381%0.812SS**  trans-156.2115.1154.800000110
250A35.9Very low36.9Very low99 Ų99132.3 Ų132.382%0.81881%0.814SS**  trans52.7101.1147.400000119.4
251S33Very low36.7Very low115 Ų115136.7 Ų136.780%0.80482%0.819SS**  trans-82.1121146.851.80000110
252T34.6Very low36.3Very low136 Ų136131.9 Ų131.983%0.83482%0.821SS**  trans-171.4121.9144.912.80000111.5
253A33Very low36.2Very low100 Ų100129.2 Ų129.283%0.82681%0.813SS**  trans42.3124.9146.800000121.8
254A35.4Very low35.8Very low111 Ų111130.5 Ų130.592%0.91782%0.82SS**  179.5160.8120.600000112
255D32.2Very low35.6Very low130 Ų130132 Ų13270%0.69582%0.822SS**  trans-105.1172.6-153.4-153.4-29.9000112.7
256H36.6Very low34.8Very low166 Ų166132.7 Ų132.777%0.76982%0.819SS**  trans74.6103.5157.6-60.7-61.7000123
257G30.9Very low34.9Very low81 Ų81128.5 Ų128.584%0.83581%0.81SS**  56.7121.7111.800000122.6
258Y35.3Very low34.6Very low225 Ų225133.8 Ų133.888%0.88282%0.816SS**  trans-165143.5135.3-163.9-106.5000112
259V38.8Very low34.5Very low122 Ų122132.5 Ų132.574%0.73981%0.813SS**  trans-87.9151.8-176.7-87.50000112.6
260G32.9Very low34.4Very low82 Ų82136.2 Ų136.285%0.84581%0.814SS**  trans-167.2112.116900000113.3
261F32Very low34.3Very low207 Ų207138.6 Ų138.691%0.90882%0.818SS**  trans-102139.2-172.5-171.2-85.9000111.5
262A31.4Very low34.2Very low101 Ų101137.7 Ų137.784%0.83581%0.811SS**  trans174.5142.515000000106.8
263G30.7Very low34.9Very low67 Ų67139.3 Ų139.369%0.69181%0.814SS**  cis172.4142.39.600000105.3
264Q39.2Very low35Very low194 Ų194141.8 Ų141.891%0.90781%0.813SS**  trans-59.4131.1-179.3-71.1-94.76.100112.8
265Q35.7Very low34.8Very low181 Ų181144 Ų14485%0.84681%0.81SS**  trans-164.2118.1141.3-154.1153.41.800114.3
266N34.4Very low35.3Very low133 Ų133145.6 Ų145.671%0.71181%0.811SS**  trans26111.7150.1-78.3-17.5000122.3
267Q37.1Very low35.2Very low157 Ų157146.5 Ų146.573%0.73481%0.813SS**  13.1114.9123-65177.180.500117.6
268F33.5Very low35.1Very low203 Ų203146 Ų14689%0.8981%0.808SS**  -178.1122.7102.9-90.6-73.3000110.4
269G35Very low35.2Very low77 Ų77139.6 Ų139.679%0.79480%0.801SS**  trans87.682.6144.800000119.9
270H33.8Very low35Very low174 Ų174141.1 Ų141.181%0.80681%0.805SS**  trans-155.9102.6137.5-149.4-100.1000110.7S272H270-S272 PolarHBondContact O-N 3.03Å; H270-S272 VanDerWaalsContact O-N 3.13Å
271V35.8Very low34.9Very low149 Ų149142.2 Ų142.290%0.90380%0.8SS**  trans-79.589.6170-78.30000109.2L273V271-L273 PolarHBondContact O-N 3.04Å
272S30.9Very low35.5Very low96 Ų96140 Ų14067%0.67180%0.797SS**  trans-76.2116.1162.3-82.70000109.2H270 N274H270-S272 PolarHBondContact O-N 3.03Å; H270-S272 VanDerWaalsContact O-N 3.13Å; S272-N274 PolarHBondContact O-N 3.06Å; S272-N274 VanDerWaalsContact O-N 3.13Å
273L48.7Very low35.8Very low169 Ų169143 Ų14389%0.88580%0.798SS**  trans-62.4104.5163.9-77.1159.8000108.6V271V271-L273 PolarHBondContact O-N 3.04Å
274N34.5Very low36.3Very low152 Ų152146.6 Ų146.681%0.81381%0.806SS**  trans-179.1102148.9-97.1-2.1000109.7S272S272-N274 PolarHBondContact O-N 3.06Å; S272-N274 VanDerWaalsContact O-N 3.13Å
275N30.8Very low36.2Very low159 Ų159143.4 Ų143.485%0.8580%0.803SS**  -173.6104.4127.7-114.923.8000109.5
276F43.2Very low36.4Very low162 Ų162139.2 Ų139.271%0.71180%0.799SS**  trans-90.8139.7153.5-135.1-105.1000105.4
277F33.9Very low36.5Very low186 Ų186138.8 Ų138.882%0.81680%0.802SS**  trans103.5127.5174.1-61.7-76.5000118.2
278G30.1Very low36.4Very low70 Ų70138.8 Ų138.872%0.72281%0.806SS**  trans9999.6167.900000112.9
279A36.7Very low36.6Very low91 Ų91132.5 Ų132.575%0.75280%0.799SS**  87.3128.875.300000112.9
280D34.2Very low36.9Very low154 Ų154138 Ų13882%0.82480%0.804SS**  trans84.3142.3157.6-63.8-56.9000123.2
281S32.2Very low37.5Very low105 Ų105135.1 Ų135.173%0.73480%0.8SS**  trans87.394.4165.4-56.30000115.4
282L43.3Very low38Very low160 Ų160133 Ų13384%0.83880%0.799SS**  4511174.1-59.3179.6000112
283L38.4Very low38.4Very low164 Ų164137.8 Ų137.886%0.85981%0.808SS**  trans163.9109.8130.1-84.3172.2000108.9
284T40.2Very low38.2Very low142 Ų142138.7 Ų138.787%0.87181%0.808SS**  trans168.7152.513135.80000111.7
285P37.6Very low38.7Very low127 Ų127136 Ų13683%0.82581%0.806SS**  trans-92.9164.6-14336.2-35000115.1
286A39.6Very low39.4Very low94 Ų94136.7 Ų136.778%0.77780%0.802SS**  trans-68.8148.1-178.500000114.5
287T37.6Very low39.6Very low124 Ų124133.9 Ų133.976%0.76180%0.8SS**  trans-145.6123.1137.556.80000111.1
288N35.8Very low40.2Very low156 Ų156133.1 Ų133.183%0.83480%0.799SS**  trans75.689.3145-58-17.1000120.9
289G36.7Very low41.1Very low72 Ų72138.1 Ų138.174%0.74280%0.801SS**  55.9110.1114.400000121.6
290H42Very low41.7Very low192 Ų192140.5 Ų140.589%0.88980%0.796SS**  trans-168.8160.5130.4-118.6-100.8000110.2
291P46.2Very low42.3Very low113 Ų113143.1 Ų143.173%0.73480%0.795SS**  trans-87.8165.1-145.936.1-37.3000115.5
292A46.2Very low43.2Very low105 Ų105148.2 Ų148.287%0.86880%0.798SS**  trans-45.3126.6-177.500000116.1
293F38.3Very low43.7Very low196 Ų196143.3 Ų143.386%0.8678%0.777SS**  trans-129.6119.8147.9-170.7-97000106.4A295F293-A295 PolarHBondContact O-N 3.31Å
294E45.5Very low45Very low189 Ų189139.4 Ų139.488%0.88376%0.764SS**  trans-53.598.4-175.6-80178121.200111.9K296E294-K296 PolarHBondContact O-N 3.45Å
295A43.6Very low47Very low95 Ų95135.5 Ų135.579%0.78574%0.742SS**  trans-79.398.6166.700000108.5F293F293-A295 PolarHBondContact O-N 3.31Å
296K46Very low49.1Very low174 Ų174134.6 Ų134.676%0.75773%0.729SS**  trans-49.3134165.6-152.1165.3-176.6168.70109.1E294 E298E294-K296 PolarHBondContact O-N 3.45Å; K296-E298 PolarHBondContact O-N 3.43Å
297P48Very low50.9Low103 Ų103132.8 Ų132.867%0.66971%0.714SS**  trans-59.9133.9-163.120.3-32.1000112.9F299P297-F299 PolarHBondContact O-N 2.53Å
298E47.2Very low53.4Low170 Ų170130.5 Ų130.579%0.79470%0.699SS**G310 helixtrans-58.62.3-178.2-73-179124.700115.8K296 E300 R301K296-E298 PolarHBondContact O-N 3.43Å; E298-E300 VanDerWaalsContact C-N 3.29Å; E298-E300 PolarHBondContact O-N 2.92Å; E298-R301 PolarHBondContact O-N 3.07Å
299F48.5Very low55.9Low175 Ų175127.6 Ų127.677%0.76868%0.684SS**G310 helixtrans-65.5-28.7-179.7-165.6-101.1000112.9P297 R301P297-F299 PolarHBondContact O-N 2.53Å; F299-R301 VanDerWaalsContact C-N 3.34Å; F299-R301 PolarHBondContact O-N 2.76Å
300E48Very low58.4Low140 Ų140132.3 Ų132.365%0.65468%0.679SS**G310 helixtrans-76.7-14.5179.9-87.5179.4145.300114.6E298 R302 S303E298-E300 VanDerWaalsContact C-N 3.29Å; E298-E300 PolarHBondContact O-N 2.92Å; E300-R302 VanDerWaalsContact C-N 3.26Å; E300-R302 PolarHBondContact O-N 3.23Å; E300-S303 PolarHBondContact O-OG 3.33Å
301R47.8Very low60.6Low210 Ų210128.3 Ų128.379%0.79266%0.662SS**G310 helixtrans-77.3-17.1179.3-158.5176-65.9-89.41112.4E298 F299E298-R301 PolarHBondContact O-N 3.07Å; F299-R301 VanDerWaalsContact C-N 3.34Å; F299-R301 PolarHBondContact O-N 2.76Å
302R50.7Low62.6Low212 Ų212129.4 Ų129.480%0.866%0.655SS**SBendtrans-98.1-8.4-179.7-66.1-177.2175.8-156.6-0.1113.9E300 S304E300-R302 VanDerWaalsContact C-N 3.26Å; E300-R302 PolarHBondContact O-N 3.23Å; R302-S304 VanDerWaalsContact C-N 3.29Å; R302-S304 PolarHBondContact O-N 2.96Å
303S54.7Low64.4Low56 Ų56127.3 Ų127.339%0.39264%0.638SS.*  trans-82.2-1179.2500000114E300 S305 V308E300-S303 PolarHBondContact O-OG 3.33Å; S303-S305 PolarHBondContact O-N 3.22Å; S303-V308 WeakPolarHBondContact O-CB 3.44Å; S303-V308 WeakPolarHBondContact O-CG1 3.49Å
304S64.4Low66.6Low83 Ų83125.1 Ų125.158%0.5863%0.628SS**  trans-75.939172.966.10000113.3R302R302-S304 VanDerWaalsContact C-N 3.29Å; R302-S304 PolarHBondContact O-N 2.96Å
305S82.9Confident68.1Low59 Ų59121.9 Ų121.941%0.41361%0.613SS.*  trans-66139.4169.7174.70000109.1S303 A307 V308 L309S303-S305 PolarHBondContact O-N 3.22Å; S305-A307 PolarHBondContact O-N 3.01Å; S305-A307 PolarHBondContact OG-N 3.29Å; S305-V308 WeakPolarHBondContact O-CB 3.27Å; S305-V308 PolarHBondContact O-N 3.44Å; S305-L309 PolarHBondContact O-N 2.9Å
306I80.6Confident69.7Low109 Ų109123.2 Ų123.256%0.55960%0.603SS**Hα-helixtrans-53.1-29.7176.5-168.366.8000112R310I306-R310 WeakPolarHBondContact O-CB 3.01Å; I306-R310 WeakPolarHBondContact O-CG 3.34Å; I306-R310 PolarHBondContact O-N 3.21Å
307A79Confident71Confident55 Ų55117.9 Ų117.946%0.45559%0.591SS.*Hα-helixtrans-67.1-45.1175.500000112S305 R310 M311S305-A307 PolarHBondContact O-N 3.01Å; S305-A307 PolarHBondContact OG-N 3.29Å; A307-R310 PolarHBondContact O-N 3.1Å; A307-M311 WeakPolarHBondContact O-CG 3.38Å; A307-M311 PolarHBondContact O-N 2.96Å
308V89.9Confident72Confident76 Ų76115.2 Ų115.246%0.46158%0.578SS.*Hα-helixtrans-64.3-43177.7176.40000110.4S303 S305 R310 M311 K312S303-V308 WeakPolarHBondContact O-CB 3.44Å; S303-V308 WeakPolarHBondContact O-CG1 3.49Å; S305-V308 WeakPolarHBondContact O-CB 3.27Å; S305-V308 PolarHBondContact O-N 3.44Å; V308-R310 VanDerWaalsContact C-N 3.35Å; V308-R310 PolarHBondContact O-N 3.43Å; V308-M311 PolarHBondContact O-N 2.94Å; V308-K312 WeakPolarHBondContact O-CB 3.43Å; V308-K312 PolarHBondContact O-N 3.17Å
309L88.6Confident73Confident96 Ų96112.8 Ų112.850%0.50357%0.57SS.*Hα-helixtrans-63.1-39.5176.6-66.9174.1000112.4S305 A313S305-L309 PolarHBondContact O-N 2.9Å; L309-A313 WeakPolarHBondContact O-CB 3.12Å; L309-A313 PolarHBondContact O-N 3.04Å
310R89.1Confident74.1Confident170 Ų170108.9 Ų108.964%0.64256%0.556SS**Hα-helixtrans-68.1-39.1176.3-76.4172.2176.1-176.4-0112.7I306 A307 V308 K314I306-R310 WeakPolarHBondContact O-CB 3.01Å; I306-R310 WeakPolarHBondContact O-CG 3.34Å; I306-R310 PolarHBondContact O-N 3.21Å; A307-R310 PolarHBondContact O-N 3.1Å; V308-R310 VanDerWaalsContact C-N 3.35Å; V308-R310 PolarHBondContact O-N 3.43Å; R310-K314 PolarHBondContact O-N 3.48Å
311M86.9Confident74.8Confident108 Ų108106.4 Ų106.453%0.53255%0.554SS.*Hα-helixtrans-64.2-48.8174-72.3-79.4101.200110.8A307 V308 A313 K314 E315A307-M311 WeakPolarHBondContact O-CG 3.38Å; A307-M311 PolarHBondContact O-N 2.96Å; V308-M311 PolarHBondContact O-N 2.94Å; M311-A313 VanDerWaalsContact C-N 3.29Å; M311-A313 PolarHBondContact O-N 3.37Å; M311-K314 HydrophobicContact CE-CD 4.15Å; M311-K314 WeakPolarHBondContact O-CB 3.36Å; M311-K314 PolarHBondContact O-N 3.04Å; M311-E315 PolarHBondContact O-N 2.96Å
312K89.8Confident74.9Confident136 Ų136107 Ų10759%0.59156%0.557SS**Hα-helixtrans-61.1-35.4178.5-169.8165-177.1157.90113.1V308 E315 H316V308-K312 WeakPolarHBondContact O-CB 3.43Å; V308-K312 PolarHBondContact O-N 3.17Å; K312-E315 PolarHBondContact O-N 3.37Å; K312-H316 WeakPolarHBondContact O-CB 3.46Å; K312-H316 PolarHBondContact O-N 3.01Å
313A83.9Confident75.1Confident61 Ų61101 Ų10150%0.50455%0.553SS.*Hα-helixtrans-66.9-37.7174.100000112.7L309 M311 H316 A317L309-A313 WeakPolarHBondContact O-CB 3.12Å; L309-A313 PolarHBondContact O-N 3.04Å; M311-A313 VanDerWaalsContact C-N 3.29Å; M311-A313 PolarHBondContact O-N 3.37Å; A313-H316 PolarHBondContact O-N 3.24Å; A313-A317 PolarHBondContact O-N 3.38Å
314K83.6Confident74.7Confident151 Ų151108.9 Ų108.966%0.65759%0.586SS**Hα-helixtrans-64.9-41.6173.8-94.4-177.9161.7-168.90111.9R310 M311 A317 A318R310-K314 PolarHBondContact O-N 3.48Å; M311-K314 HydrophobicContact CE-CD 4.15Å; M311-K314 WeakPolarHBondContact O-CB 3.36Å; M311-K314 PolarHBondContact O-N 3.04Å; K314-A317 PolarHBondContact O-N 3.03Å; K314-A318 PolarHBondContact O-N 3.27Å
315E76.6Confident75.2Confident121 Ų121110.2 Ų110.257%0.56559%0.586SS**Hα-helixtrans-62.9-43.9174.6-68.8170.6176.800111.4M311 K312 A317 A318 N319M311-E315 PolarHBondContact O-N 2.96Å; K312-E315 PolarHBondContact O-N 3.37Å; E315-A317 VanDerWaalsContact C-N 3.29Å; E315-A317 PolarHBondContact O-N 3.37Å; E315-A318 PolarHBondContact O-N 3.33Å; E315-N319 PolarHBondContact O-N 3.29Å; E315-N319 PolarHBondContact O-OD1 3.13Å
316H77.3Confident74.8Confident123 Ų123112.8 Ų112.857%0.56960%0.595SS**Hα-helixtrans-63.4-36178-146.1-73.1000112.4K312 A313 I320K312-H316 WeakPolarHBondContact O-CB 3.46Å; K312-H316 PolarHBondContact O-N 3.01Å; A313-H316 PolarHBondContact O-N 3.24Å; H316-I320 WeakPolarHBondContact O-CD1 3.3Å; H316-I320 VanDerWaalsContact O-CG1 3.3Å; H316-I320 WeakPolarHBondContact O-CG1 3.41Å; H316-I320 PolarHBondContact O-N 3.29Å
317A74.3Confident74.5Confident62 Ų62113.1 Ų113.151%0.51260%0.597SS.*Hα-helixtrans-67.7-39.3174.200000112.3A313 K314 E315 S321A313-A317 PolarHBondContact O-N 3.38Å; K314-A317 PolarHBondContact O-N 3.03Å; E315-A317 VanDerWaalsContact C-N 3.29Å; E315-A317 PolarHBondContact O-N 3.37Å; A317-S321 PolarHBondContact O-N 3.48Å
318A68.6Low74.2Confident47 Ų47116.5 Ų116.539%0.38861%0.605SS.*Hα-helixtrans-65.7-42.5175.600000111.7K314 E315 I320 S321 W322K314-A318 PolarHBondContact O-N 3.27Å; E315-A318 PolarHBondContact O-N 3.33Å; A318-I320 VanDerWaalsContact C-N 3.32Å; A318-I320 PolarHBondContact O-N 3.05Å; A318-S321 WeakPolarHBondContact O-CB 3.39Å; A318-S321 PolarHBondContact O-N 3.3Å; A318-S321 VanDerWaalsContact O-N 3.13Å; A318-W322 PolarHBondContact O-N 3.08Å
319N67.6Low73.2Confident119 Ų119119 Ų11964%0.63661%0.614SS**Hα-helixtrans-65.7-32.8-179.8-75.210.3000113.3E315 S321E315-N319 PolarHBondContact O-N 3.29Å; E315-N319 PolarHBondContact O-OD1 3.13Å; N319-S321 VanDerWaalsContact C-N 3.34Å
320I70.9Confident72.2Confident92 Ų92120.5 Ų120.547%0.47262%0.622SS.*Hα-helixtrans-70.1-34.1174.8-66.8164.3000110.9H316 A318 W322 A323H316-I320 WeakPolarHBondContact O-CD1 3.3Å; H316-I320 VanDerWaalsContact O-CG1 3.3Å; H316-I320 WeakPolarHBondContact O-CG1 3.41Å; H316-I320 PolarHBondContact O-N 3.29Å; A318-I320 VanDerWaalsContact C-N 3.32Å; A318-I320 PolarHBondContact O-N 3.05Å; I320-W322 PolarHBondContact O-N 3.15Å; I320-A323 PolarHBondContact O-N 3.29Å
321S62.7Low71Confident88 Ų88117 Ų11762%0.61562%0.62SS**Hα-helixtrans-68-17.9179.5-175.50000114.4A317 A318 N319A317-S321 PolarHBondContact O-N 3.48Å; A318-S321 WeakPolarHBondContact O-CB 3.39Å; A318-S321 PolarHBondContact O-N 3.3Å; A318-S321 VanDerWaalsContact O-N 3.13Å; N319-S321 VanDerWaalsContact C-N 3.34Å
322W50.2Low69.8Low224 Ų224117.7 Ų117.785%0.84863%0.627SS**THydrogen-bonded Turntrans-96-6.7176.8-73.4101.3000113.4A318 I320A318-W322 PolarHBondContact O-N 3.08Å; I320-W322 PolarHBondContact O-N 3.15Å
323A54.8Low68.1Low86 Ų86116.2 Ų116.271%0.71163%0.63SS**  trans-100.95.6-177.700000113.5I320I320-A323 PolarHBondContact O-N 3.29Å
324M46.9Very low66.7Low220 Ų220121.2 Ų121.2100%1.08464%0.642SS**  trans-116.90168.2-71.2-177.4-164.400109.3

Retrieved 324 of 324 residues in 377.5 ms (Link to these results)