A0A077ZD83_TRITR Loading...

CTD nuclear envelope phosphatase 1 homolog

AlphaFold DB , UniProt , Accession A0A077ZD83, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 271 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.6Low72Confident208 Ų208128.3 Ų128.3100%1.02565%0.654SS**  0-34.70-68-167.7103.300115.4E3M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.41Å
2P65.8Low73Confident104 Ų104124.3 Ų124.368%0.67564%0.64SS**Hα-helixtrans-70.5-25.5-178.525.1-31.6000114.5Q5 K6P2-Q5 PolarHBondContact O-N 3.29Å; P2-K6 PolarHBondContact O-N 2.82Å; P2-K6 VanDerWaalsContact O-N 3.17Å
3E66.6Low74.1Confident166 Ų166125.4 Ų125.478%0.77664%0.637SS**Hα-helixtrans-68.7-38.4-177.4-153.1164.3-151.600113.1M1 Q5 K6 D7M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.41Å; E3-Q5 PolarHBondContact O-N 3.39Å; E3-K6 PolarHBondContact O-N 3.44Å; E3-D7 PolarHBondContact O-N 2.6Å; E3-D7 VanDerWaalsContact O-N 3.11Å
4L68.6Low75.2Confident132 Ų132124.6 Ų124.669%0.69164%0.635SS**Hα-helixtrans-66.7-36.3176-164.178.4000112.1Q8L4-Q8 WeakPolarHBondContact O-CG 3.23Å; L4-Q8 PolarHBondContact O-N 3.3Å; L4-Q8 VanDerWaalsContact O-N 3.17Å
5Q69Low76Confident145 Ų145119.6 Ų119.668%0.67862%0.62SS**Hα-helixtrans-67.5-36.7174.8-84.4-177.6-50.200111.8P2 E3 M9P2-Q5 PolarHBondContact O-N 3.29Å; E3-Q5 PolarHBondContact O-N 3.39Å; Q5-M9 WeakPolarHBondContact O-CB 3.43Å; Q5-M9 PolarHBondContact O-N 3.23Å
6K72.1Confident76.8Confident130 Ų130123.3 Ų123.357%0.56562%0.623SS**Hα-helixtrans-65-46177.3-166.6-174.7178.6-156.50111.5P2 E3 Q8 M9 E10P2-K6 PolarHBondContact O-N 2.82Å; P2-K6 VanDerWaalsContact O-N 3.17Å; E3-K6 PolarHBondContact O-N 3.44Å; K6-Q8 PolarHBondContact O-N 3.16Å; K6-M9 WeakPolarHBondContact O-CB 3.28Å; K6-M9 PolarHBondContact O-N 3.35Å; K6-M9 VanDerWaalsContact O-N 3.13Å; K6-E10 WeakPolarHBondContact CE-OE1 3.45Å; K6-E10 IonicContact NZ-OE1 3.61Å; K6-E10 WeakPolarHBondContact O-CG 3.25Å; K6-E10 PolarHBondContact O-N 2.94Å
7D75.3Confident77.6Confident108 Ų108119.1 Ų119.158%0.57861%0.605SS**Hα-helixtrans-62-41.4178.2-169.446.8000111.9E3 M9 E10 G11E3-D7 PolarHBondContact O-N 2.6Å; E3-D7 VanDerWaalsContact O-N 3.11Å; D7-M9 PolarHBondContact O-N 3.28Å; D7-E10 PolarHBondContact O-N 3.1Å; D7-G11 PolarHBondContact O-N 2.67Å
8Q75.9Confident78.3Confident143 Ų143115.1 Ų115.167%0.66859%0.593SS**Hα-helixtrans-63.6-39.8172.7-71.8-145.7-43.500112.9L4 K6 G11 V12L4-Q8 WeakPolarHBondContact O-CG 3.23Å; L4-Q8 PolarHBondContact O-N 3.3Å; L4-Q8 VanDerWaalsContact O-N 3.17Å; K6-Q8 PolarHBondContact O-N 3.16Å; Q8-G11 PolarHBondContact O-N 2.83Å; Q8-V12 VanDerWaalsContact O-CG2 3.32Å; Q8-V12 WeakPolarHBondContact O-CG2 3.39Å; Q8-V12 PolarHBondContact O-N 2.8Å
9M75Confident79Confident144 Ų144114.3 Ų114.371%0.70959%0.589SS**Hα-helixtrans-66.4-41176.9-124.2-178.357.400112Q5 K6 D7 V12 F13Q5-M9 WeakPolarHBondContact O-CB 3.43Å; Q5-M9 PolarHBondContact O-N 3.23Å; K6-M9 WeakPolarHBondContact O-CB 3.28Å; K6-M9 PolarHBondContact O-N 3.35Å; K6-M9 VanDerWaalsContact O-N 3.13Å; D7-M9 PolarHBondContact O-N 3.28Å; M9-V12 PolarHBondContact O-N 3.27Å; M9-F13 WeakPolarHBondContact O-CB 3.32Å; M9-F13 PolarHBondContact O-N 3.23Å
10E81.4Confident79.5Confident93 Ų93112.4 Ų112.444%0.43558%0.583SS.*Hα-helixtrans-63.9-43174.6-75.2-177.4-172.900111.1K6 D7 V12 F13 L14K6-E10 WeakPolarHBondContact CE-OE1 3.45Å; K6-E10 IonicContact NZ-OE1 3.61Å; K6-E10 WeakPolarHBondContact O-CG 3.25Å; K6-E10 PolarHBondContact O-N 2.94Å; D7-E10 PolarHBondContact O-N 3.1Å; E10-V12 PolarHBondContact O-N 3.1Å; E10-F13 WeakPolarHBondContact O-CB 3.43Å; E10-F13 PolarHBondContact O-N 3.32Å; E10-L14 WeakPolarHBondContact O-CB 3.29Å; E10-L14 WeakPolarHBondContact O-CG 3.36Å; E10-L14 PolarHBondContact O-N 2.94Å
11G83.4Confident80Confident38 Ų38115.3 Ų115.339%0.39259%0.586SS.*Hα-helixtrans-60.1-43.8174.600000113.2D7 Q8 L14 A15D7-G11 PolarHBondContact O-N 2.67Å; Q8-G11 PolarHBondContact O-N 2.83Å; G11-L14 PolarHBondContact O-N 3.45Å; G11-A15 WeakPolarHBondContact O-CB 3.45Å; G11-A15 PolarHBondContact O-N 2.95Å
12V84.7Confident81.6Confident81 Ų81111 Ų11149%0.49157%0.566SS.*Hα-helixtrans-65.5-38.9175.2173.20000111.4Q8 M9 E10 R16Q8-V12 VanDerWaalsContact O-CG2 3.32Å; Q8-V12 WeakPolarHBondContact O-CG2 3.39Å; Q8-V12 PolarHBondContact O-N 2.8Å; M9-V12 PolarHBondContact O-N 3.27Å; E10-V12 PolarHBondContact O-N 3.1Å; V12-R16 WeakPolarHBondContact O-CG 3.33Å; V12-R16 PolarHBondContact O-N 3.24Å
13F86.7Confident82.8Confident138 Ų138110.7 Ų110.761%0.60556%0.559SS**Hα-helixtrans-63.8-49.8176.1178.2-98.3000111.5M9 E10 A15 R16 V17M9-F13 WeakPolarHBondContact O-CB 3.32Å; M9-F13 PolarHBondContact O-N 3.23Å; E10-F13 WeakPolarHBondContact O-CB 3.43Å; E10-F13 PolarHBondContact O-N 3.32Å; F13-A15 VanDerWaalsContact C-N 3.33Å; F13-A15 PolarHBondContact O-N 3.42Å; F13-R16 PolarHBondContact O-N 2.82Å; F13-V17 HydrophobicContact CD1-CG2 4.28Å; F13-V17 HydrophobicContact CE1-CG2 3.88Å; F13-V17 HydrophobicContact CE2-CG2 4.29Å; F13-V17 HydrophobicContact CZ-CG2 3.88Å; F13-V17 WeakPolarHBondContact O-CG2 3.06Å; F13-V17 PolarHBondContact O-N 2.69Å
14L89.7Confident84.1Confident114 Ų114108 Ų10860%0.59755%0.546SS*.Hα-helixtrans-61.1-40.5177.5-69.9174.7000111.9E10 G11 V17 A18E10-L14 WeakPolarHBondContact O-CB 3.29Å; E10-L14 WeakPolarHBondContact O-CG 3.36Å; E10-L14 PolarHBondContact O-N 2.94Å; G11-L14 PolarHBondContact O-N 3.45Å; L14-V17 PolarHBondContact O-N 3.4Å; L14-A18 WeakPolarHBondContact O-CB 3.32Å; L14-A18 PolarHBondContact O-N 2.93Å
15A87.8Confident85.2Confident50 Ų50105.9 Ų105.941%0.41354%0.535SS..Hα-helixtrans-62.6-42.3175.500000112.2G11 F13 A18 I19G11-A15 WeakPolarHBondContact O-CB 3.45Å; G11-A15 PolarHBondContact O-N 2.95Å; F13-A15 VanDerWaalsContact C-N 3.33Å; F13-A15 PolarHBondContact O-N 3.42Å; A15-A18 PolarHBondContact O-N 2.85Å; A15-I19 VanDerWaalsContact O-CG1 3.28Å; A15-I19 WeakPolarHBondContact O-CG1 3.3Å; A15-I19 PolarHBondContact O-N 2.96Å
16R88.7Confident86.3Confident178 Ų178107 Ų10767%0.67253%0.533SS*.Hα-helixtrans-63.6-44.7175.6-76.2177.5173.4-170.6-1111.9V12 F13 I19 V20V12-R16 WeakPolarHBondContact O-CG 3.33Å; V12-R16 PolarHBondContact O-N 3.24Å; F13-R16 PolarHBondContact O-N 2.82Å; R16-I19 PolarHBondContact O-N 2.8Å; R16-V20 WeakPolarHBondContact O-CG2 3.42Å; R16-V20 PolarHBondContact O-N 3Å
17V89.3Confident87.4Confident53 Ų53104.5 Ų104.532%0.32153%0.528SS..Hα-helixtrans-60.5-46.4175.8172.80000110.2F13 L14 I19 V20 W21F13-V17 HydrophobicContact CD1-CG2 4.28Å; F13-V17 HydrophobicContact CE1-CG2 3.88Å; F13-V17 HydrophobicContact CE2-CG2 4.29Å; F13-V17 HydrophobicContact CZ-CG2 3.88Å; F13-V17 WeakPolarHBondContact O-CG2 3.06Å; F13-V17 PolarHBondContact O-N 2.69Å; L14-V17 PolarHBondContact O-N 3.4Å; V17-I19 PolarHBondContact O-N 2.64Å; V17-V20 PolarHBondContact O-N 3Å; V17-W21 VanDerWaalsContact O-CD1 3.28Å; V17-W21 PolarHBondContact O-N 2.76Å
18A90.3Very high88.2Confident47 Ų47102 Ų10239%0.38852%0.523SS..Hα-helixtrans-60.8-40.9177.900000112.8L14 A15 W21 L22L14-A18 WeakPolarHBondContact O-CB 3.32Å; L14-A18 PolarHBondContact O-N 2.93Å; A15-A18 PolarHBondContact O-N 2.85Å; A18-W21 PolarHBondContact O-N 3.42Å; A18-L22 WeakPolarHBondContact O-CB 3.44Å; A18-L22 VanDerWaalsContact O-CG 3.27Å; A18-L22 WeakPolarHBondContact O-CG 3.49Å; A18-L22 PolarHBondContact O-N 2.73Å
19I91.5Very high89.1Confident100 Ų100103.1 Ų103.151%0.51352%0.521SS..Hα-helixtrans-63.1-43.8175.9-70.2164.7000111.1A15 R16 V17 L22 L23A15-I19 VanDerWaalsContact O-CG1 3.28Å; A15-I19 WeakPolarHBondContact O-CG1 3.3Å; A15-I19 PolarHBondContact O-N 2.96Å; R16-I19 PolarHBondContact O-N 2.8Å; V17-I19 PolarHBondContact O-N 2.64Å; I19-L22 PolarHBondContact O-N 3.01Å; I19-L23 HydrophobicContact CG2-CD1 3.9Å; I19-L23 HydrophobicContact CG2-CG 4.38Å; I19-L23 WeakPolarHBondContact O-CB 3.36Å; I19-L23 WeakPolarHBondContact O-CG 3.17Å; I19-L23 PolarHBondContact O-N 2.96Å
20V90.2Very high89.9Confident76 Ų76101.5 Ų101.546%0.46151%0.51SS..Hα-helixtrans-61.2-47.3176.6173.50000110.6R16 V17 L22 L23 E24R16-V20 WeakPolarHBondContact O-CG2 3.42Å; R16-V20 PolarHBondContact O-N 3Å; V17-V20 PolarHBondContact O-N 3Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 2.89Å; V20-L23 PolarHBondContact O-N 3.17Å; V20-E24 HydrophobicContact CG1-CG 4.46Å; V20-E24 WeakPolarHBondContact O-CG 3.32Å; V20-E24 PolarHBondContact O-N 3.18Å
21W90.2Very high90.5Very high173 Ų173100.4 Ų100.466%0.65551%0.512SS*.Hα-helixtrans-60.5-40.2175.9-8795.7000113.1V17 A18 E24 L25V17-W21 VanDerWaalsContact O-CD1 3.28Å; V17-W21 PolarHBondContact O-N 2.76Å; A18-W21 PolarHBondContact O-N 3.42Å; W21-E24 PolarHBondContact O-N 2.86Å; W21-L25 VanDerWaalsContact O-CB 3.28Å; W21-L25 WeakPolarHBondContact O-CB 3.31Å; W21-L25 PolarHBondContact O-N 3.23Å
22L92.2Very high91Very high117 Ų117105.2 Ų105.261%0.61352%0.52SS*.Hα-helixtrans-67.3-38.9176.3-74.3172.3000112A18 I19 V20 L25 W26A18-L22 WeakPolarHBondContact O-CB 3.44Å; A18-L22 VanDerWaalsContact O-CG 3.27Å; A18-L22 WeakPolarHBondContact O-CG 3.49Å; A18-L22 PolarHBondContact O-N 2.73Å; I19-L22 PolarHBondContact O-N 3.01Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 2.89Å; L22-L25 PolarHBondContact O-N 3.34Å; L22-W26 VanDerWaalsContact O-CB 3.31Å; L22-W26 WeakPolarHBondContact O-CB 3.37Å; L22-W26 PolarHBondContact O-N 2.97Å
23L91.2Very high91.4Very high98 Ų98106.1 Ų106.151%0.51352%0.52SS..Hα-helixtrans-65.3-45.5174.4-75.2169.3000111.2I19 V20 L25 W26 V27I19-L23 HydrophobicContact CG2-CD1 3.9Å; I19-L23 HydrophobicContact CG2-CG 4.38Å; I19-L23 WeakPolarHBondContact O-CB 3.36Å; I19-L23 WeakPolarHBondContact O-CG 3.17Å; I19-L23 PolarHBondContact O-N 2.96Å; V20-L23 PolarHBondContact O-N 3.17Å; L23-L25 PolarHBondContact O-N 3.22Å; L23-W26 PolarHBondContact O-N 2.63Å; L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.4Å; L23-V27 PolarHBondContact O-N 3.04Å
24E93.2Very high91.7Very high110 Ų110102.6 Ų102.651%0.51451%0.509SS..Hα-helixtrans-60.6-44.1175.2-74.3-179.2176.400111.6V20 W21 W26 V27 A28V20-E24 HydrophobicContact CG1-CG 4.46Å; V20-E24 WeakPolarHBondContact O-CG 3.32Å; V20-E24 PolarHBondContact O-N 3.18Å; W21-E24 PolarHBondContact O-N 2.86Å; E24-W26 VanDerWaalsContact C-N 3.33Å; E24-W26 PolarHBondContact O-N 3.3Å; E24-V27 PolarHBondContact O-N 2.93Å; E24-A28 WeakPolarHBondContact O-CB 3.5Å; E24-A28 PolarHBondContact O-N 3.12Å
25L92.6Very high91.9Very high87 Ų87103.5 Ų103.546%0.45551%0.508SS..Hα-helixtrans-63.9-38.8176.1-173.665.2000111.9W21 L22 L23 R29W21-L25 VanDerWaalsContact O-CB 3.28Å; W21-L25 WeakPolarHBondContact O-CB 3.31Å; W21-L25 PolarHBondContact O-N 3.23Å; L22-L25 PolarHBondContact O-N 3.34Å; L23-L25 PolarHBondContact O-N 3.22Å; L25-R29 WeakPolarHBondContact O-CB 3.33Å; L25-R29 WeakPolarHBondContact O-CG 3.1Å; L25-R29 PolarHBondContact O-N 2.96Å
26W92Very high92.1Very high170 Ų170105.8 Ų105.864%0.64451%0.511SS*.Hα-helixtrans-67.3-44176.5-173.480.6000111.9L22 L23 E24 R29 F30L22-W26 VanDerWaalsContact O-CB 3.31Å; L22-W26 WeakPolarHBondContact O-CB 3.37Å; L22-W26 PolarHBondContact O-N 2.97Å; L23-W26 PolarHBondContact O-N 2.63Å; E24-W26 VanDerWaalsContact C-N 3.33Å; E24-W26 PolarHBondContact O-N 3.3Å; W26-R29 PolarHBondContact O-N 3.42Å; W26-F30 WeakPolarHBondContact O-CB 3.4Å; W26-F30 PolarHBondContact O-N 2.85Å
27V93.2Very high92.3Very high76 Ų76105.3 Ų105.346%0.46151%0.514SS..Hα-helixtrans-61.4-46.3174.5171.20000110.6L23 E24 R29 F30 C31L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.4Å; L23-V27 PolarHBondContact O-N 3.04Å; E24-V27 PolarHBondContact O-N 2.93Å; V27-R29 PolarHBondContact O-N 3.09Å; V27-F30 PolarHBondContact O-N 3.44Å; V27-C31 WeakPolarHBondContact O-CB 3.43Å; V27-C31 PolarHBondContact O-N 2.76Å; V27-C31 PolarHBondContact O-SG 2.96Å
28A93.6Very high92.5Very high56 Ų56106.2 Ų106.246%0.46352%0.519SS..Hα-helixtrans-60.3-44.5177.300000112E24 C31 Y32E24-A28 WeakPolarHBondContact O-CB 3.5Å; E24-A28 PolarHBondContact O-N 3.12Å; A28-C31 PolarHBondContact O-N 3.19Å; A28-Y32 WeakPolarHBondContact O-CB 3.45Å; A28-Y32 PolarHBondContact O-N 2.82Å
29R93.3Very high92.5Very high167 Ų167109.8 Ų109.863%0.6353%0.526SS*.Hα-helixtrans-63.8-41.8175-77.7-178.5175.1-171.2-0112.3L25 W26 V27 Y32 M33L25-R29 WeakPolarHBondContact O-CB 3.33Å; L25-R29 WeakPolarHBondContact O-CG 3.1Å; L25-R29 PolarHBondContact O-N 2.96Å; W26-R29 PolarHBondContact O-N 3.42Å; V27-R29 PolarHBondContact O-N 3.09Å; R29-Y32 PolarHBondContact O-N 2.93Å; R29-M33 WeakPolarHBondContact O-CG 3.46Å; R29-M33 PolarHBondContact O-N 3.45Å
30F92.8Very high92.5Very high109 Ų109107 Ų10748%0.47852%0.521SS..Hα-helixtrans-62.6-49.6176.4179.5-99.3000111.4W26 V27 Y32 M33 V34W26-F30 WeakPolarHBondContact O-CB 3.4Å; W26-F30 PolarHBondContact O-N 2.85Å; V27-F30 PolarHBondContact O-N 3.44Å; F30-Y32 VanDerWaalsContact C-N 3.3Å; F30-Y32 PolarHBondContact O-N 3.27Å; F30-M33 PolarHBondContact O-N 3.21Å; F30-V34 HydrophobicContact CD1-CG2 4.23Å; F30-V34 HydrophobicContact CE1-CG2 3.83Å; F30-V34 HydrophobicContact CE2-CG2 4.25Å; F30-V34 HydrophobicContact CZ-CG2 3.84Å; F30-V34 WeakPolarHBondContact O-CG2 3.12Å; F30-V34 PolarHBondContact O-N 3.41Å
31C93.8Very high92.7Very high71 Ų71110 Ų11048%0.4853%0.529SS..Hα-helixtrans-57.4-42175.1-70.90000112V27 A28 V34 F35V27-C31 WeakPolarHBondContact O-CB 3.43Å; V27-C31 PolarHBondContact O-N 2.76Å; V27-C31 PolarHBondContact O-SG 2.96Å; A28-C31 PolarHBondContact O-N 3.19Å; C31-V34 PolarHBondContact O-N 3.39Å; C31-F35 WeakPolarHBondContact O-CB 3.47Å; C31-F35 PolarHBondContact O-N 3.01Å
32Y94.1Very high92.9Very high139 Ų139107.5 Ų107.555%0.54552%0.523SS..Hα-helixtrans-63.9-44.5176.4-177.6-102.7000112.5A28 R29 F30 V34 F35 Q36A28-Y32 WeakPolarHBondContact O-CB 3.45Å; A28-Y32 PolarHBondContact O-N 2.82Å; R29-Y32 PolarHBondContact O-N 2.93Å; F30-Y32 VanDerWaalsContact C-N 3.3Å; F30-Y32 PolarHBondContact O-N 3.27Å; Y32-V34 PolarHBondContact O-N 2.92Å; Y32-F35 PolarHBondContact O-N 2.94Å; Y32-Q36 HydrophobicContact CD1-CG 4.27Å; Y32-Q36 HydrophobicContact CE1-CG 3.88Å; Y32-Q36 HydrophobicContact CE2-CG 4.38Å; Y32-Q36 VanDerWaalsContact CZ-NE2 3.27Å; Y32-Q36 WeakPolarHBondContact O-CG 3.43Å; Y32-Q36 PolarHBondContact O-N 3.05Å; Y32-Q36 PolarHBondContact OH-NE2 2.88Å
33M93.7Very high92.8Very high100 Ų100105.7 Ų105.749%0.49351%0.513SS..Hα-helixtrans-63.3-40.4175.6-72.9-173-65.200112.2R29 F30 K37R29-M33 WeakPolarHBondContact O-CG 3.46Å; R29-M33 PolarHBondContact O-N 3.45Å; F30-M33 PolarHBondContact O-N 3.21Å; M33-K37 WeakPolarHBondContact O-CG 3.43Å; M33-K37 PolarHBondContact O-N 3.1Å
34V93.1Very high92.8Very high64 Ų64102.7 Ų102.739%0.38851%0.507SS..Hα-helixtrans-63.2-47.2174.7172.70000109.9F30 C31 Y32 Q36 K37 V38F30-V34 HydrophobicContact CD1-CG2 4.23Å; F30-V34 HydrophobicContact CE1-CG2 3.83Å; F30-V34 HydrophobicContact CE2-CG2 4.25Å; F30-V34 HydrophobicContact CZ-CG2 3.84Å; F30-V34 WeakPolarHBondContact O-CG2 3.12Å; F30-V34 PolarHBondContact O-N 3.41Å; C31-V34 PolarHBondContact O-N 3.39Å; Y32-V34 PolarHBondContact O-N 2.92Å; V34-Q36 PolarHBondContact O-N 3.1Å; V34-K37 PolarHBondContact O-N 2.79Å; V34-V38 HydrophobicContact CG1-CG2 4.2Å; V34-V38 WeakPolarHBondContact O-CB 3.38Å; V34-V38 VanDerWaalsContact O-CG2 3.27Å; V34-V38 WeakPolarHBondContact O-CG2 3.34Å; V34-V38 PolarHBondContact O-N 2.83Å
35F93.2Very high92.8Very high132 Ų132101.1 Ų101.158%0.57950%0.501SS*.Hα-helixtrans-57.9-47.3176.6178.5-95.3000112C31 Y32 K37 V38 F39C31-F35 WeakPolarHBondContact O-CB 3.47Å; C31-F35 PolarHBondContact O-N 3.01Å; Y32-F35 PolarHBondContact O-N 2.94Å; F35-K37 VanDerWaalsContact C-N 3.35Å; F35-K37 PolarHBondContact O-N 2.92Å; F35-V38 PolarHBondContact O-N 3.26Å; F35-F39 HydrophobicContact CE1-CB 4.43Å; F35-F39 HydrophobicContact CZ-CD2 4.4Å; F35-F39 WeakPolarHBondContact O-CB 3.41Å; F35-F39 PolarHBondContact O-N 3.13Å
36Q92.8Very high92.8Very high98 Ų98102 Ų10246%0.45851%0.506SS..Hα-helixtrans-59.7-42.6177.1-77.3-170.9-3600112.5Y32 V34 G40Y32-Q36 HydrophobicContact CD1-CG 4.27Å; Y32-Q36 HydrophobicContact CE1-CG 3.88Å; Y32-Q36 HydrophobicContact CE2-CG 4.38Å; Y32-Q36 VanDerWaalsContact CZ-NE2 3.27Å; Y32-Q36 WeakPolarHBondContact O-CG 3.43Å; Y32-Q36 PolarHBondContact O-N 3.05Å; Y32-Q36 PolarHBondContact OH-NE2 2.88Å; V34-Q36 PolarHBondContact O-N 3.1Å; Q36-G40 PolarHBondContact O-N 3.15Å
37K92.5Very high92.7Very high169 Ų169100.2 Ų100.274%0.73550%0.504SS*.Hα-helixtrans-66.9-43.4177.6-75.5-176.3177.6-1770112.2M33 V34 F35 F41M33-K37 WeakPolarHBondContact O-CG 3.43Å; M33-K37 PolarHBondContact O-N 3.1Å; V34-K37 PolarHBondContact O-N 2.79Å; F35-K37 VanDerWaalsContact C-N 3.35Å; F35-K37 PolarHBondContact O-N 2.92Å; K37-F41 WeakPolarHBondContact O-CB 3.31Å; K37-F41 PolarHBondContact O-N 2.92Å
38V92.3Very high92.6Very high71 Ų71102 Ų10243%0.4351%0.507SS..Hα-helixtrans-65.7-47.1178.4172.10000110.3V34 F35 F41 F42V34-V38 HydrophobicContact CG1-CG2 4.2Å; V34-V38 WeakPolarHBondContact O-CB 3.38Å; V34-V38 VanDerWaalsContact O-CG2 3.27Å; V34-V38 WeakPolarHBondContact O-CG2 3.34Å; V34-V38 PolarHBondContact O-N 2.83Å; F35-V38 PolarHBondContact O-N 3.26Å; V38-F41 WeakPolarHBondContact O-CB 3.39Å; V38-F41 PolarHBondContact O-N 2.96Å; V38-F42 HydrophobicContact CG1-CD2 3.75Å; V38-F42 HydrophobicContact CG1-CE2 3.5Å; V38-F42 VanDerWaalsContact CG1-CE2 3.5Å; V38-F42 WeakPolarHBondContact O-CD2 3.48Å; V38-F42 PolarHBondContact O-N 3.16Å
39F92Very high92.6Very high123 Ų123102.5 Ų102.554%0.53950%0.503SS..Hα-helixtrans-61-48.5176.7-175.3-91.7000111.4F35 F41 F42 D43F35-F39 HydrophobicContact CE1-CB 4.43Å; F35-F39 HydrophobicContact CZ-CD2 4.4Å; F35-F39 WeakPolarHBondContact O-CB 3.41Å; F35-F39 PolarHBondContact O-N 3.13Å; F39-F41 VanDerWaalsContact C-N 3.27Å; F39-F41 PolarHBondContact O-N 3.29Å; F39-F42 PolarHBondContact O-N 3.31Å; F39-F42 VanDerWaalsContact O-N 3.12Å; F39-D43 WeakPolarHBondContact O-CB 3.35Å; F39-D43 PolarHBondContact O-N 2.75Å
40G91.5Very high92.6Very high40 Ų4096.6 Ų96.641%0.41249%0.487SS..Hα-helixtrans-62-33.1177.300000113.4Q36 G44Q36-G40 PolarHBondContact O-N 3.15Å; G40-G44 PolarHBondContact O-N 2.95Å
41F93Very high92.5Very high140 Ų14095.2 Ų95.261%0.61448%0.479SS*.Hα-helixtrans-64.6-46.9171.7175.1-93.8000111.9K37 V38 F39 G44 L45K37-F41 WeakPolarHBondContact O-CB 3.31Å; K37-F41 PolarHBondContact O-N 2.92Å; V38-F41 WeakPolarHBondContact O-CB 3.39Å; V38-F41 PolarHBondContact O-N 2.96Å; F39-F41 VanDerWaalsContact C-N 3.27Å; F39-F41 PolarHBondContact O-N 3.29Å; F41-G44 PolarHBondContact O-N 3.15Å; F41-L45 HydrophobicContact CE1-CD2 4.4Å; F41-L45 WeakPolarHBondContact O-CB 3.27Å; F41-L45 PolarHBondContact O-N 2.87Å
42F94.1Very high92.4Very high121 Ų12195 Ų9553%0.53147%0.473SS..Hα-helixtrans-67.9-35.6178.3-76.1-64.8000112.8V38 F39 L45 L46V38-F42 HydrophobicContact CG1-CD2 3.75Å; V38-F42 HydrophobicContact CG1-CE2 3.5Å; V38-F42 VanDerWaalsContact CG1-CE2 3.5Å; V38-F42 WeakPolarHBondContact O-CD2 3.48Å; V38-F42 PolarHBondContact O-N 3.16Å; F39-F42 PolarHBondContact O-N 3.31Å; F39-F42 VanDerWaalsContact O-N 3.12Å; F42-L45 HydrophobicContact CD1-CD2 4.43Å; F42-L45 PolarHBondContact O-N 2.77Å; F42-L46 WeakPolarHBondContact O-CB 3.28Å; F42-L46 PolarHBondContact O-N 3.22Å
43D91Very high92.4Very high78 Ų7893.9 Ų93.942%0.41748%0.476SS..Hα-helixtrans-62.3-50174.2-166.842.6000110.6F39 L45 L46 E47F39-D43 WeakPolarHBondContact O-CB 3.35Å; F39-D43 PolarHBondContact O-N 2.75Å; D43-L45 VanDerWaalsContact C-N 3.31Å; D43-L45 PolarHBondContact O-N 2.79Å; D43-L46 PolarHBondContact O-N 2.99Å; D43-L46 VanDerWaalsContact O-N 3.14Å; D43-E47 PolarHBondContact O-N 3.23Å
44G91Very high92.2Very high36 Ų3695.1 Ų95.137%0.37148%0.475SS..Hα-helixtrans-61.9-36.6174.500000113.4G40 F41 F48G40-G44 PolarHBondContact O-N 2.95Å; F41-G44 PolarHBondContact O-N 3.15Å; G44-F48 WeakPolarHBondContact O-CB 3.3Å; G44-F48 PolarHBondContact O-N 3.2Å
45L93.3Very high92Very high76 Ų7697.5 Ų97.540%0.39848%0.477SS..Hα-helixtrans-65.6-42.8174.1-178.362.9000111.4F41 F42 D43 F48 V49F41-L45 HydrophobicContact CE1-CD2 4.4Å; F41-L45 WeakPolarHBondContact O-CB 3.27Å; F41-L45 PolarHBondContact O-N 2.87Å; F42-L45 HydrophobicContact CD1-CD2 4.43Å; F42-L45 PolarHBondContact O-N 2.77Å; D43-L45 VanDerWaalsContact C-N 3.31Å; D43-L45 PolarHBondContact O-N 2.79Å; L45-F48 PolarHBondContact O-N 3.35Å; L45-V49 WeakPolarHBondContact O-CG2 3.32Å; L45-V49 PolarHBondContact O-N 3.5Å
46L92.8Very high91.9Very high106 Ų10695.5 Ų95.556%0.55547%0.47SS*.Hα-helixtrans-64.3-43.6177.6178.762.3000111.2F42 D43 F48 V49 C50F42-L46 WeakPolarHBondContact O-CB 3.28Å; F42-L46 PolarHBondContact O-N 3.22Å; D43-L46 PolarHBondContact O-N 2.99Å; D43-L46 VanDerWaalsContact O-N 3.14Å; L46-F48 VanDerWaalsContact C-N 3.31Å; L46-F48 PolarHBondContact O-N 3.33Å; L46-V49 PolarHBondContact O-N 2.99Å; L46-C50 WeakPolarHBondContact O-CB 3.49Å; L46-C50 PolarHBondContact O-N 3.06Å; L46-C50 PolarHBondContact O-SG 2.97Å
47E90.3Very high91.6Very high132 Ų13293.8 Ų93.862%0.61747%0.472SS*.Hα-helixtrans-60-42.4174.1-74.5-164.2150.300111.7D43 C50 Y51D43-E47 PolarHBondContact O-N 3.23Å; E47-C50 PolarHBondContact O-N 2.94Å; E47-Y51 WeakPolarHBondContact O-CB 3.28Å; E47-Y51 PolarHBondContact O-N 3.09Å
48F90.8Very high91.3Very high115 Ų11586.9 Ų86.950%0.50444%0.441SS..Hα-helixtrans-63.7-43.7176.2-179.7-109.6000112.1G44 L45 L46 C50 Y51 L52G44-F48 WeakPolarHBondContact O-CB 3.3Å; G44-F48 PolarHBondContact O-N 3.2Å; L45-F48 PolarHBondContact O-N 3.35Å; L46-F48 VanDerWaalsContact C-N 3.31Å; L46-F48 PolarHBondContact O-N 3.33Å; F48-C50 PolarHBondContact O-N 3Å; F48-Y51 WeakPolarHBondContact O-CB 3.45Å; F48-Y51 PolarHBondContact O-N 3.16Å; F48-L52 HydrophobicContact CD1-CD1 4.21Å; F48-L52 HydrophobicContact CE1-CD1 3.66Å; F48-L52 HydrophobicContact CE1-CG 4.25Å; F48-L52 HydrophobicContact CE2-CD2 4.46Å; F48-L52 HydrophobicContact CE2-CG 4.5Å; F48-L52 HydrophobicContact CZ-CD1 3.94Å; F48-L52 HydrophobicContact CZ-CD2 4.2Å; F48-L52 HydrophobicContact CZ-CG 4.18Å; F48-L52 WeakPolarHBondContact O-CG 3.24Å; F48-L52 PolarHBondContact O-N 3.06Å
49V93.3Very high91Very high65 Ų6588.3 Ų88.339%0.39444%0.442SS..Hα-helixtrans-61.3-44.7174170.80000110.7L45 L46 Y51 L52 L53L45-V49 WeakPolarHBondContact O-CG2 3.32Å; L45-V49 PolarHBondContact O-N 3.5Å; L46-V49 PolarHBondContact O-N 2.99Å; V49-Y51 VanDerWaalsContact C-N 3.3Å; V49-Y51 PolarHBondContact O-N 3.46Å; V49-L52 PolarHBondContact O-N 3.15Å; V49-L53 HydrophobicContact CG1-CD1 4.12Å; V49-L53 HydrophobicContact CG1-CG 4.46Å; V49-L53 WeakPolarHBondContact O-CG 3.37Å; V49-L53 PolarHBondContact O-N 3.04Å
50C93.3Very high90.7Very high43 Ų4387.7 Ų87.729%0.29145%0.448SS..Hα-helixtrans-60.4-39.7175.8-70.50000111.8L46 E47 F48 L53 R54L46-C50 WeakPolarHBondContact O-CB 3.49Å; L46-C50 PolarHBondContact O-N 3.06Å; L46-C50 PolarHBondContact O-SG 2.97Å; E47-C50 PolarHBondContact O-N 2.94Å; F48-C50 PolarHBondContact O-N 3Å; C50-L53 PolarHBondContact O-N 3.25Å; C50-R54 WeakPolarHBondContact O-CB 3.33Å; C50-R54 VanDerWaalsContact O-CG 3.26Å; C50-R54 WeakPolarHBondContact O-CG 3.43Å; C50-R54 PolarHBondContact O-N 3.25Å
51Y91.3Very high90.4Very high81 Ų8190.3 Ų90.332%0.31845%0.452SS..Hα-helixtrans-60.7-45.7174.8171.9-91.5000111.7E47 F48 V49 R54 R55 P115E47-Y51 WeakPolarHBondContact O-CB 3.28Å; E47-Y51 PolarHBondContact O-N 3.09Å; F48-Y51 WeakPolarHBondContact O-CB 3.45Å; F48-Y51 PolarHBondContact O-N 3.16Å; V49-Y51 VanDerWaalsContact C-N 3.3Å; V49-Y51 PolarHBondContact O-N 3.46Å; Y51-R54 PolarHBondContact O-N 3.07Å; Y51-R55 WeakPolarHBondContact O-CB 3.39Å; Y51-R55 PolarHBondContact O-N 3.39Å; Y51-P115 HydrophobicContact CD2-CB 4.41Å; Y51-P115 HydrophobicContact CD2-CG 3.85Å; Y51-P115 HydrophobicContact CE2-CB 3.65Å; Y51-P115 HydrophobicContact CE2-CG 3.6Å; Y51-P115 HydrophobicContact CG-CG 4.5Å
52L92Very high89.9Confident66 Ų6685.2 Ų85.235%0.34643%0.43SS..Hα-helixtrans-62.7-44.6176.5-66.2-179.8000111.8F48 V49 R54 R55 E56F48-L52 HydrophobicContact CD1-CD1 4.21Å; F48-L52 HydrophobicContact CE1-CD1 3.66Å; F48-L52 HydrophobicContact CE1-CG 4.25Å; F48-L52 HydrophobicContact CE2-CD2 4.46Å; F48-L52 HydrophobicContact CE2-CG 4.5Å; F48-L52 HydrophobicContact CZ-CD1 3.94Å; F48-L52 HydrophobicContact CZ-CD2 4.2Å; F48-L52 HydrophobicContact CZ-CG 4.18Å; F48-L52 WeakPolarHBondContact O-CG 3.24Å; F48-L52 PolarHBondContact O-N 3.06Å; V49-L52 PolarHBondContact O-N 3.15Å; L52-R54 PolarHBondContact O-N 3.42Å; L52-R55 WeakPolarHBondContact O-CB 3.23Å; L52-R55 PolarHBondContact O-N 3.34Å; L52-R55 VanDerWaalsContact O-N 3.17Å; L52-E56 PolarHBondContact O-N 3.24Å
53L93Very high89.3Confident115 Ų11585.7 Ų85.760%0.60243%0.434SS*.Hα-helixtrans-61.5-43.8176.8-70.1174.1000111.9V49 C50 R55 E56 A57V49-L53 HydrophobicContact CG1-CD1 4.12Å; V49-L53 HydrophobicContact CG1-CG 4.46Å; V49-L53 WeakPolarHBondContact O-CG 3.37Å; V49-L53 PolarHBondContact O-N 3.04Å; C50-L53 PolarHBondContact O-N 3.25Å; L53-R55 VanDerWaalsContact C-N 3.28Å; L53-R55 PolarHBondContact O-N 2.88Å; L53-E56 PolarHBondContact O-N 2.97Å; L53-A57 VanDerWaalsContact O-CB 3.26Å; L53-A57 WeakPolarHBondContact O-CB 3.41Å; L53-A57 PolarHBondContact O-N 3.43Å
54R89.7Confident88.8Confident127 Ų12783.6 Ų83.648%0.47942%0.421SS..Hα-helixtrans-61.6-37.7175-72.8174.9-162.5166.56.2111.8C50 Y51 L52 R58 G113 P115C50-R54 WeakPolarHBondContact O-CB 3.33Å; C50-R54 VanDerWaalsContact O-CG 3.26Å; C50-R54 WeakPolarHBondContact O-CG 3.43Å; C50-R54 PolarHBondContact O-N 3.25Å; Y51-R54 PolarHBondContact O-N 3.07Å; L52-R54 PolarHBondContact O-N 3.42Å; R54-R58 VanDerWaalsContact O-CB 3.29Å; R54-R58 WeakPolarHBondContact O-CB 3.45Å; R54-R58 PolarHBondContact O-N 2.75Å; R54-G113 PolarHBondContact NH1-O 3.42Å; R54-P115 HydrophobicContact CB-CG 4.3Å
55R88.5Confident88.3Confident114 Ų11487.8 Ų87.843%0.4344%0.44SS..Hα-helixtrans-62.3-48.3177.9-172.4-176.7180-168.7-2.1111Y51 L52 L53 R58 K59 P115Y51-R55 WeakPolarHBondContact O-CB 3.39Å; Y51-R55 PolarHBondContact O-N 3.39Å; L52-R55 WeakPolarHBondContact O-CB 3.23Å; L52-R55 PolarHBondContact O-N 3.34Å; L52-R55 VanDerWaalsContact O-N 3.17Å; L53-R55 VanDerWaalsContact C-N 3.28Å; L53-R55 PolarHBondContact O-N 2.88Å; R55-R58 PolarHBondContact O-N 2.99Å; R55-K59 WeakPolarHBondContact O-CG 3.15Å; R55-K59 PolarHBondContact O-N 2.82Å; R55-P115 HydrophobicContact CB-CB 4.1Å; R55-P115 HydrophobicContact CB-CG 3.82Å; R55-P115 HydrophobicContact CG-CB 4.19Å; R55-P115 HydrophobicContact CG-CG 4.45Å
56E90.5Very high87.7Confident90 Ų9089.8 Ų89.842%0.42145%0.449SS..Hα-helixtrans-71.1-40.9179.3-60.4-47.5126.200111.8L52 L53 R58 K59 V60L52-E56 PolarHBondContact O-N 3.24Å; L53-E56 PolarHBondContact O-N 2.97Å; E56-R58 VanDerWaalsContact C-N 3.27Å; E56-R58 PolarHBondContact O-N 3.42Å; E56-K59 VanDerWaalsContact CD-NZ 3.29Å; E56-K59 WeakPolarHBondContact O-CB 3.35Å; E56-K59 PolarHBondContact O-N 2.95Å; E56-K59 VanDerWaalsContact O-N 3.15Å; E56-K59 IonicContact OE1-NZ 2.7Å; E56-K59 PolarHBondContact OE1-NZ 2.92Å; E56-K59 WeakPolarHBondContact OE2-CD 3.31Å; E56-K59 IonicContact OE2-NZ 3.85Å; E56-K59 PolarHBondContact OE2-NZ 2.66Å; E56-V60 WeakPolarHBondContact O-CG2 3.49Å; E56-V60 PolarHBondContact O-N 2.71Å
57A88.1Confident87.5Confident61 Ų6193.8 Ų93.850%0.50446%0.457SS..Hα-helixtrans-58.1-39.7174.200000112.2L53 V60 L61L53-A57 VanDerWaalsContact O-CB 3.26Å; L53-A57 WeakPolarHBondContact O-CB 3.41Å; L53-A57 PolarHBondContact O-N 3.43Å; A57-V60 PolarHBondContact O-N 2.98Å; A57-L61 WeakPolarHBondContact O-CB 3.43Å; A57-L61 PolarHBondContact O-N 2.87Å
58R85.5Confident87.4Confident24 Ų2490.2 Ų90.29%0.09144%0.438CS..Hα-helixtrans-64-43.8176-171.7174.4-173.2-133.7-15.4111.9R54 R55 E56 V60 L61 Q62 P115 D117 H134R54-R58 VanDerWaalsContact O-CB 3.29Å; R54-R58 WeakPolarHBondContact O-CB 3.45Å; R54-R58 PolarHBondContact O-N 2.75Å; R55-R58 PolarHBondContact O-N 2.99Å; E56-R58 VanDerWaalsContact C-N 3.27Å; E56-R58 PolarHBondContact O-N 3.42Å; R58-V60 VanDerWaalsContact C-N 3.3Å; R58-V60 PolarHBondContact O-N 3Å; R58-L61 PolarHBondContact O-N 3.45Å; R58-Q62 HydrophobicContact CG-CG 4.39Å; R58-Q62 WeakPolarHBondContact O-CB 3.26Å; R58-Q62 VanDerWaalsContact O-CG 3.31Å; R58-Q62 WeakPolarHBondContact O-CG 3.26Å; R58-Q62 PolarHBondContact O-N 3.49Å; R58-P115 PolarHBondContact NH1-O 2.65Å; R58-D117 IonicContact CZ-OD2 3.01Å; R58-D117 VanDerWaalsContact CZ-OD2 3.31Å; R58-D117 IonicContact NH1-OD2 3.31Å; R58-D117 PolarHBondContact NH1-OD2 2.97Å; R58-D117 IonicContact NH2-OD2 2.73Å; R58-D117 PolarHBondContact NH2-OD2 3.35Å; R58-H134 PolarHBondContact NH1-ND1 3.34Å
59K85.4Confident87.1Confident101 Ų10189.6 Ų89.644%0.43944%0.444SS..Hα-helixtrans-61-39.4175-69.3176.3-171.4162.30112.1R55 E56 H63R55-K59 WeakPolarHBondContact O-CG 3.15Å; R55-K59 PolarHBondContact O-N 2.82Å; E56-K59 VanDerWaalsContact CD-NZ 3.29Å; E56-K59 WeakPolarHBondContact O-CB 3.35Å; E56-K59 PolarHBondContact O-N 2.95Å; E56-K59 VanDerWaalsContact O-N 3.15Å; E56-K59 IonicContact OE1-NZ 2.7Å; E56-K59 PolarHBondContact OE1-NZ 2.92Å; E56-K59 WeakPolarHBondContact OE2-CD 3.31Å; E56-K59 IonicContact OE2-NZ 3.85Å; E56-K59 PolarHBondContact OE2-NZ 2.66Å; K59-H63 PolarHBondContact O-N 3.47Å; K59-H63 VanDerWaalsContact O-N 3.09Å
60V86.6Confident86.5Confident111 Ų11193 Ų9367%0.67346%0.46SS*.Hα-helixtrans-66.2-45.7176.5172.90000110.7E56 A57 R58 Q62 H63E56-V60 WeakPolarHBondContact O-CG2 3.49Å; E56-V60 PolarHBondContact O-N 2.71Å; A57-V60 PolarHBondContact O-N 2.98Å; R58-V60 VanDerWaalsContact C-N 3.3Å; R58-V60 PolarHBondContact O-N 3Å; V60-Q62 VanDerWaalsContact C-N 3.33Å; V60-Q62 PolarHBondContact O-N 2.53Å; V60-H63 WeakPolarHBondContact O-CB 3.39Å; V60-H63 PolarHBondContact O-N 3.32Å; V60-H63 VanDerWaalsContact O-N 3.11Å
61L84.1Confident86.2Confident94 Ų9496.7 Ų96.749%0.49248%0.475SS..Hα-helixtrans-65.1-37.5-179.9-175.157.7000112.4A57 R58 H63 P234A57-L61 WeakPolarHBondContact O-CB 3.43Å; A57-L61 PolarHBondContact O-N 2.87Å; R58-L61 PolarHBondContact O-N 3.45Å; L61-H63 PolarHBondContact O-N 3.29Å; L61-P234 HydrophobicContact CD2-CB 3.57Å; L61-P234 HydrophobicContact CD2-CG 3.47Å; L61-P234 VanDerWaalsContact CD2-CG 3.47Å; L61-P234 HydrophobicContact CG-CB 4.2Å
62Q82.9Confident86.1Confident34 Ų3498.4 Ų98.416%0.15950%0.496CS..THydrogen-bonded Turntrans-83.61.6176.5-66178.9-3200113R58 V60 Q64R58-Q62 HydrophobicContact CG-CG 4.39Å; R58-Q62 WeakPolarHBondContact O-CB 3.26Å; R58-Q62 VanDerWaalsContact O-CG 3.31Å; R58-Q62 WeakPolarHBondContact O-CG 3.26Å; R58-Q62 PolarHBondContact O-N 3.49Å; V60-Q62 VanDerWaalsContact C-N 3.33Å; V60-Q62 PolarHBondContact O-N 2.53Å; Q62-Q64 PolarHBondContact O-N 2.83Å
63H83Confident86.1Confident131 Ų13198.2 Ų98.261%0.60650%0.495SS*.  trans-64121.8-179.9-170.277.8000109.7K59 V60 L61 V65K59-H63 PolarHBondContact O-N 3.47Å; K59-H63 VanDerWaalsContact O-N 3.09Å; V60-H63 WeakPolarHBondContact O-CB 3.39Å; V60-H63 PolarHBondContact O-N 3.32Å; V60-H63 VanDerWaalsContact O-N 3.11Å; L61-H63 PolarHBondContact O-N 3.29Å; H63-V65 PolarHBondContact O-N 3.28Å
64Q80.4Confident86.1Confident33 Ų3395.4 Ų95.415%0.15449%0.485CS..  trans-72.3102.7-179.5-171.978.85700110.4Q62 I66 H138 Y141Q62-Q64 PolarHBondContact O-N 2.83Å; Q64-I66 VanDerWaalsContact CD-O 3.28Å; Q64-I66 VanDerWaalsContact CG-O 3.27Å; Q64-I66 WeakPolarHBondContact CG-O 3.37Å; Q64-I66 PolarHBondContact NE2-O 3.19Å; Q64-H138 VanDerWaalsContact CD-ND1 3.29Å; Q64-H138 PolarHBondContact NE2-ND1 2.8Å; Q64-H138 VanDerWaalsContact OE1-CB 3.3Å; Q64-H138 PolarHBondContact OE1-ND1 3.05Å; Q64-Y141 HydrophobicContact CG-CD1 4.12Å; Q64-Y141 HydrophobicContact CG-CG 4.23Å
65V80.6Confident86.4Confident125 Ų12594.7 Ų94.776%0.75850%0.497SS*.  trans-89.3-39.4171.5-174.40000111.1H63H63-V65 PolarHBondContact O-N 3.28Å
66I80.3Confident86.7Confident118 Ų11894.4 Ų94.461%0.60551%0.508SS*.  trans-84.9121.9-178.1-58.9173000109Q64 L240Q64-I66 VanDerWaalsContact CD-O 3.28Å; Q64-I66 VanDerWaalsContact CG-O 3.27Å; Q64-I66 WeakPolarHBondContact CG-O 3.37Å; Q64-I66 PolarHBondContact NE2-O 3.19Å; I66-L240 HydrophobicContact CB-CD2 4.13Å; I66-L240 HydrophobicContact CG2-CD2 4.14Å
67R87.2Confident86.8Confident189 Ų18992 Ų9271%0.71350%0.501SS*.  trans-107.4142171.8-65.8-174.9-177.9-173.10.9109.4V69 Y141R67-V69 PolarHBondContact O-N 2.82Å; R67-Y141 WeakPolarHBondContact CA-OH 3.5Å
68Y88.1Confident87.1Confident57 Ų5793.3 Ų93.322%0.22450%0.5CS..  trans-65.4123.1165.6-169.8-103.6000108.3D70 Y141 W149 L243 P244 D247Y68-D70 PolarHBondContact O-N 3.12Å; Y68-Y141 PolarHBondContact N-OH 3.14Å; Y68-W149 AromaticContact CD1-CH2 3.59Å; Y68-W149 HydrophobicContact CD1-CH2 3.59Å; Y68-W149 AromaticContact CD1-CZ2 3.69Å; Y68-W149 HydrophobicContact CD1-CZ2 3.69Å; Y68-W149 AromaticContact CE1-CH2 3.45Å; Y68-W149 HydrophobicContact CE1-CH2 3.45Å; Y68-W149 VanDerWaalsContact CE1-CH2 3.45Å; Y68-W149 AromaticContact CE1-CZ2 3.54Å; Y68-W149 HydrophobicContact CE1-CZ2 3.54Å; Y68-W149 HydrophobicContact CG-CH2 4.38Å; Y68-L243 HydrophobicContact CD2-CB 3.71Å; Y68-L243 HydrophobicContact CE2-CB 4.19Å; Y68-L243 HydrophobicContact CG-CB 3.99Å; Y68-L243 HydrophobicContact CG-CD1 4.22Å; Y68-P244 HydrophobicContact CD2-CG 4.3Å; Y68-P244 HydrophobicContact CE2-CB 3.93Å; Y68-P244 HydrophobicContact CE2-CG 3.75Å; Y68-D247 HydrophobicContact CE1-CB 4.12Å; Y68-D247 WeakPolarHBondContact CE1-OD2 3.42Å; Y68-D247 VanDerWaalsContact OH-CB 3.22Å; Y68-D247 WeakPolarHBondContact OH-CB 3.39Å; Y68-D247 PolarHBondContact OH-OD2 3.49Å
69V84.8Confident87.5Confident103 Ų10398 Ų9862%0.62452%0.523SS*.  trans-73.8117.2-177.2-179.60000107.9R67 I71R67-V69 PolarHBondContact O-N 2.82Å; V69-I71 HydrophobicContact CB-CG1 4.5Å; V69-I71 HydrophobicContact CG1-CG1 3.95Å; V69-I71 PolarHBondContact O-N 2.93Å; V69-I71 VanDerWaalsContact O-N 3.11Å
70D82Confident87.9Confident135 Ų13599 Ų9972%0.72252%0.524SS*.  trans-77.196.9172.8-164.20000108.6Y68 P72Y68-D70 PolarHBondContact O-N 3.12Å; D70-P72 WeakPolarHBondContact O-CD 3.42Å
71I85.3Confident88.2Confident122 Ų12296 Ų9663%0.62650%0.503SS*.PPolyproline II helixtrans-84121.1178.5-59174000107.3V69 L73V69-I71 HydrophobicContact CB-CG1 4.5Å; V69-I71 HydrophobicContact CG1-CG1 3.95Å; V69-I71 PolarHBondContact O-N 2.93Å; V69-I71 VanDerWaalsContact O-N 3.11Å; I71-L73 PolarHBondContact O-N 2.79Å
72P89.9Confident88.6Confident116 Ų11696.6 Ų96.675%0.75351%0.511SS*.PPolyproline II helixtrans-52.8133.9176.3-26.134.2000111.3D70D70-P72 WeakPolarHBondContact O-CD 3.42Å
73L91.3Very high89.1Confident63 Ų63101 Ų10133%0.3354%0.535SS..PPolyproline II helixtrans-66.1139.7179.8-61.4-177.5000110.5I71 D78 L81 F251I71-L73 PolarHBondContact O-N 2.79Å; L73-D78 HydrophobicContact CB-CB 4.24Å; L73-L81 HydrophobicContact CD1-CD1 3.51Å; L73-F251 HydrophobicContact CD1-CZ 4.5Å; L73-F251 HydrophobicContact CD2-CE1 4.21Å; L73-F251 HydrophobicContact CD2-CZ 3.65Å
74S94.5Very high89.5Confident55 Ų5596.1 Ų96.139%0.38551%0.513SS..PPolyproline II helixtrans-63.4154165.479.80000109.7V76 S77 D78S74-V76 PolarHBondContact O-N 3.07Å; S74-V76 VanDerWaalsContact O-N 3.1Å; S74-S77 WeakPolarHBondContact O-CB 3.37Å; S74-S77 PolarHBondContact O-N 2.84Å; S74-S77 PolarHBondContact OG-N 3.36Å; S74-S77 VanDerWaalsContact OG-N 3.15Å; S74-S77 PolarHBondContact OG-OG 2.88Å; S74-D78 PolarHBondContact O-N 3.28Å
75P95.5Very high90Very high112 Ų112102 Ų10273%0.72753%0.534SS*.Hα-helixtrans-53.4-35176.9-28.335.3000113.5Q79P75-Q79 VanDerWaalsContact O-CB 3.32Å; P75-Q79 WeakPolarHBondContact O-CB 3.49Å; P75-Q79 PolarHBondContact O-N 3.13Å
76V94.6Very high90.8Very high109 Ų109100.9 Ų100.966%0.66152%0.516SS*.Hα-helixtrans-69.1-42.7177.2178.70000111.4S74 R80S74-V76 PolarHBondContact O-N 3.07Å; S74-V76 VanDerWaalsContact O-N 3.1Å; V76-R80 WeakPolarHBondContact O-CB 3.49Å; V76-R80 PolarHBondContact O-N 2.7Å
77S93.3Very high91.6Very high39 Ų3995.6 Ų95.627%0.27349%0.488SS..Hα-helixtrans-66.2-39.7177.1-58.90000111.6S74 R80 L81S74-S77 WeakPolarHBondContact O-CB 3.37Å; S74-S77 PolarHBondContact O-N 2.84Å; S74-S77 PolarHBondContact OG-N 3.36Å; S74-S77 VanDerWaalsContact OG-N 3.15Å; S74-S77 PolarHBondContact OG-OG 2.88Å; S77-R80 WeakPolarHBondContact O-CB 3.32Å; S77-R80 PolarHBondContact O-N 2.7Å; S77-L81 PolarHBondContact O-N 3.12Å; S77-L81 VanDerWaalsContact O-N 3.13Å
78D93.7Very high92.2Very high89 Ų8987 Ų8748%0.47646%0.456SS..Hα-helixtrans-64.3-50.2176.5-167.770.2000111.1L73 S74 R80 L81 T82L73-D78 HydrophobicContact CB-CB 4.24Å; S74-D78 PolarHBondContact O-N 3.28Å; D78-R80 PolarHBondContact O-N 2.64Å; D78-L81 PolarHBondContact O-N 3.13Å; D78-T82 PolarHBondContact O-N 3.36Å; D78-T82 VanDerWaalsContact O-N 3.1Å
79Q94.2Very high92.7Very high123 Ų12384.2 Ų84.258%0.57545%0.445SS*.Hα-helixtrans-57.4-37.1173.8-173.7179.85.400112P75 L81 T82 I83P75-Q79 VanDerWaalsContact O-CB 3.32Å; P75-Q79 WeakPolarHBondContact O-CB 3.49Å; P75-Q79 PolarHBondContact O-N 3.13Å; Q79-L81 VanDerWaalsContact C-N 3.33Å; Q79-L81 PolarHBondContact O-N 3.38Å; Q79-T82 PolarHBondContact O-N 2.76Å; Q79-T82 PolarHBondContact O-OG1 3.05Å; Q79-I83 HydrophobicContact CG-CD1 4.24Å; Q79-I83 WeakPolarHBondContact O-CG1 3.36Å; Q79-I83 PolarHBondContact O-N 2.75Å
80R93.3Very high93.4Very high122 Ų12279.3 Ų79.346%0.4642%0.416SS..Hα-helixtrans-63.4-39.2176.1-172.9172.6-179129.71.3112.1V76 S77 D78 T82 I83 L84 F251V76-R80 WeakPolarHBondContact O-CB 3.49Å; V76-R80 PolarHBondContact O-N 2.7Å; S77-R80 WeakPolarHBondContact O-CB 3.32Å; S77-R80 PolarHBondContact O-N 2.7Å; D78-R80 PolarHBondContact O-N 2.64Å; R80-T82 VanDerWaalsContact C-N 3.33Å; R80-I83 PolarHBondContact O-N 3.11Å; R80-L84 HydrophobicContact CG-CD1 3.9Å; R80-L84 HydrophobicContact CG-CG 4.36Å; R80-L84 WeakPolarHBondContact O-CB 3.01Å; R80-L84 VanDerWaalsContact O-CG 3.29Å; R80-L84 WeakPolarHBondContact O-CG 3.44Å; R80-L84 PolarHBondContact O-N 2.78Å; R80-F251 VanDerWaalsContact CZ-O 3.28Å; R80-F251 PolarHBondContact NE-O 3.34Å; R80-F251 PolarHBondContact NH2-O 3.41Å
81L93.7Very high94.2Very high46 Ų4672.9 Ų72.924%0.24138%0.381CS..Hα-helixtrans-74.1-20.4177.1-67.3-176.1000113.7L73 S77 D78 Q79 R250 F251L73-L81 HydrophobicContact CD1-CD1 3.51Å; S77-L81 PolarHBondContact O-N 3.12Å; S77-L81 VanDerWaalsContact O-N 3.13Å; D78-L81 PolarHBondContact O-N 3.13Å; Q79-L81 VanDerWaalsContact C-N 3.33Å; Q79-L81 PolarHBondContact O-N 3.38Å; L81-R250 HydrophobicContact CD2-CB 4.1Å; L81-F251 HydrophobicContact CD1-CD1 4.45Å; L81-F251 HydrophobicContact CD1-CE1 3.64Å; L81-F251 HydrophobicContact CD1-CZ 3.93Å; L81-F251 HydrophobicContact CD2-CD1 3.68Å; L81-F251 HydrophobicContact CD2-CE1 3.71Å; L81-F251 HydrophobicContact CD2-CG 4.31Å; L81-F251 HydrophobicContact CD2-CZ 4.35Å; L81-F251 HydrophobicContact CG-CD1 3.89Å; L81-F251 HydrophobicContact CG-CE1 3.51Å; L81-F251 HydrophobicContact CG-CZ 4.27Å
82T92.4Very high94.8Very high108 Ų10867.6 Ų67.666%0.66335%0.354SS*.Hα-helixtrans-76-29.917164.60000112.2D78 Q79 R80D78-T82 PolarHBondContact O-N 3.36Å; D78-T82 VanDerWaalsContact O-N 3.1Å; Q79-T82 PolarHBondContact O-N 2.76Å; Q79-T82 PolarHBondContact O-OG1 3.05Å; R80-T82 VanDerWaalsContact C-N 3.33Å
83I92.8Very high95.2Very high127 Ų12762 Ų6265%0.65132%0.318SS*.Hα-helixtrans-78.2-40.4175.3-63.6164.7000110.9Q79 R80Q79-I83 HydrophobicContact CG-CD1 4.24Å; Q79-I83 WeakPolarHBondContact O-CG1 3.36Å; Q79-I83 PolarHBondContact O-N 2.75Å; R80-I83 PolarHBondContact O-N 3.11Å
84L92.5Very high95.5Very high28 Ų2860.4 Ų60.415%0.14731%0.31CS..SBendtrans-80.7140-179.2-66.3179.2000111.6R80 F251 N253R80-L84 HydrophobicContact CG-CD1 3.9Å; R80-L84 HydrophobicContact CG-CG 4.36Å; R80-L84 WeakPolarHBondContact O-CB 3.01Å; R80-L84 VanDerWaalsContact O-CG 3.29Å; R80-L84 WeakPolarHBondContact O-CG 3.44Å; R80-L84 PolarHBondContact O-N 2.78Å; L84-F251 WeakPolarHBondContact CD1-O 3.28Å; L84-N253 VanDerWaalsContact CD2-OD1 3.3Å; L84-N253 WeakPolarHBondContact CD2-OD1 3.37Å
85R90.8Very high95.6Very high157 Ų15761.1 Ų61.159%0.59231%0.307SS*.PPolyproline II helixtrans-67140.9169.9-162.7-172.4-179.6-1740.9109.8K87R85-K87 PolarHBondContact O-N 3.22Å
86R96.5Very high95.8Very high101 Ų10155.8 Ų55.838%0.38127%0.272SS..PPolyproline II helixtrans-57.9130.5163.5-166.8177.9-161.2-157.915.2109.9A147 G148 W149 Y150 D151R86-A147 PolarHBondContact NH2-O 2.99Å; R86-G148 PolarHBondContact NH2-O 3.23Å; R86-W149 WeakPolarHBondContact CG-O 3.21Å; R86-W149 PolarHBondContact NE-O 3.1Å; R86-Y150 PolarHBondContact NH2-O 3.48Å; R86-D151 WeakPolarHBondContact CD-OD1 3.42Å; R86-D151 IonicContact CZ-OD1 3.72Å; R86-D151 IonicContact NE-OD1 2.98Å; R86-D151 IonicContact NH1-OD1 2.84Å; R86-D151 PolarHBondContact NH1-OD1 2.7Å
87K98.1Very high96Very high6 Ų650.6 Ų50.63%0.02624%0.241CC..PPolyproline II helixtrans-89.4163.5-175.2-64.9170.8175.361.50111.2R85 Y150 D151 S206 L208 L249 R250 V252 V255R85-K87 PolarHBondContact O-N 3.22Å; K87-Y150 HydrophobicContact CB-CD1 3.71Å; K87-Y150 HydrophobicContact CB-CE1 3.72Å; K87-Y150 HydrophobicContact CD-CE1 4.27Å; K87-Y150 WeakPolarHBondContact O-CA 3.42Å; K87-D151 PolarHBondContact O-N 3.24Å; K87-S206 CarbonylContact C-O 3.55Å; K87-S206 WeakPolarHBondContact CA-O 3.36Å; K87-S206 WeakPolarHBondContact CB-O 3.5Å; K87-L208 HydrophobicContact CB-CD2 4.43Å; K87-L249 WeakPolarHBondContact CD-O 3.31Å; K87-L249 WeakPolarHBondContact CE-O 3.22Å; K87-R250 PolarHBondContact NZ-O 2.66Å; K87-V252 WeakPolarHBondContact CE-O 3.35Å; K87-V252 PolarHBondContact NZ-O 2.97Å; K87-V255 HydrophobicContact CD-CG1 3.52Å
88I98.8Very high96.2Very high8 Ų848.8 Ų48.84%0.04123%0.228CC..EExtended strand (participates in β ladder)trans-101.6127.1176.7-66160.3000109.5V90 D151 V153 V200 C201 S206 V207 L208I88-V90 HydrophobicContact CG2-CG2 4.08Å; I88-D151 VanDerWaalsContact CA-O 3.31Å; I88-D151 WeakPolarHBondContact CA-O 3.4Å; I88-D151 HydrophobicContact CG1-CB 4.16Å; I88-V153 HydrophobicContact CG2-CB 4.21Å; I88-V153 HydrophobicContact CG2-CG2 3.53Å; I88-V200 HydrophobicContact CG2-CG1 3.96Å; I88-C201 HydrophobicContact CD1-CB 3.73Å; I88-S206 PolarHBondContact N-O 2.9Å; I88-V207 HydrophobicContact CB-CB 4.3Å; I88-V207 HydrophobicContact CB-CG2 4.14Å; I88-V207 HydrophobicContact CG2-CG2 4.04Å; I88-V207 WeakPolarHBondContact O-CA 3.49Å; I88-L208 VanDerWaalsContact O-CD2 3.28Å; I88-L208 WeakPolarHBondContact O-CD2 3.22Å; I88-L208 PolarHBondContact O-N 3.38Å
89L98.9Very high96.3Very high0 Ų045.2 Ų45.20%021%0.208CC..EExtended strand (participates in β ladder)trans-105.5109.3170.3176.260.1000108.8L91 F142 V146 Y150 D151 L152 V153 L208 L210 L246L89-L91 HydrophobicContact CD1-CD2 4.2Å; L89-L91 HydrophobicContact CD2-CD2 3.9Å; L89-L91 HydrophobicContact CG-CD2 3.74Å; L89-L91 HydrophobicContact CG-CG 4.17Å; L89-F142 HydrophobicContact CD2-CZ 4.44Å; L89-V146 HydrophobicContact CD2-CB 4.06Å; L89-V146 HydrophobicContact CD2-CG1 4.38Å; L89-V146 HydrophobicContact CD2-CG2 4.04Å; L89-Y150 HydrophobicContact CB-CD1 4.09Å; L89-Y150 HydrophobicContact CB-CD2 4.41Å; L89-Y150 HydrophobicContact CB-CG 3.81Å; L89-Y150 HydrophobicContact CD2-CD2 4.34Å; L89-D151 PolarHBondContact N-O 3.38Å; L89-L152 HydrophobicContact CB-CD2 4.01Å; L89-L152 HydrophobicContact CD2-CD2 4.13Å; L89-L152 HydrophobicContact CG-CD2 4.39Å; L89-V153 PolarHBondContact O-N 2.89Å; L89-L208 HydrophobicContact CD1-CD1 3.75Å; L89-L208 HydrophobicContact CD1-CG 3.82Å; L89-L210 HydrophobicContact CD1-CB 4.4Å; L89-L246 HydrophobicContact CD1-CD2 4.32Å; L89-L246 HydrophobicContact CD2-CD1 4.32Å; L89-L246 HydrophobicContact CD2-CD2 4.4Å
90V98.9Very high96.3Very high0 Ų040.4 Ų40.40%019%0.188CC..EExtended strand (participates in β ladder)trans-83.1129.8173.5-177.30000108.9I88 V153 F155 L197 V200 V207 L208 I209 L210I88-V90 HydrophobicContact CG2-CG2 4.08Å; V90-V153 CarbonylContact C-O 3.49Å; V90-V153 VanDerWaalsContact CA-O 3.32Å; V90-V153 WeakPolarHBondContact CA-O 3.23Å; V90-V153 HydrophobicContact CG2-CB 4.23Å; V90-V153 HydrophobicContact CG2-CG1 4.46Å; V90-F155 HydrophobicContact CG1-CB 3.34Å; V90-F155 HydrophobicContact CG1-CD1 4.16Å; V90-F155 HydrophobicContact CG1-CG 4.26Å; V90-L197 HydrophobicContact CG2-CD2 4.19Å; V90-V200 HydrophobicContact CG2-CG1 4Å; V90-V200 HydrophobicContact CG2-CG2 4.5Å; V90-V207 HydrophobicContact CG2-CG2 3.71Å; V90-L208 WeakPolarHBondContact CB-O 3.29Å; V90-L208 PolarHBondContact N-O 3.46Å; V90-I209 HydrophobicContact CB-CB 4.01Å; V90-I209 HydrophobicContact CB-CD1 4.49Å; V90-I209 HydrophobicContact CB-CG1 4Å; V90-I209 HydrophobicContact CG1-CB 4.4Å; V90-I209 HydrophobicContact CG1-CD1 3.94Å; V90-I209 HydrophobicContact CG1-CG1 3.9Å; V90-I209 CarbonylContact O-C 3.54Å; V90-I209 WeakPolarHBondContact O-CA 3.33Å; V90-L210 PolarHBondContact O-N 2.83Å
91L98.9Very high96.2Very high0 Ų036.4 Ų36.40%018%0.175CC..EExtended strand (participates in β ladder)trans-122.1125.8-175.7-60.3171.7000109.6L89 L97 F142 L143 L152 V153 I154 F155 L210L89-L91 HydrophobicContact CD1-CD2 4.2Å; L89-L91 HydrophobicContact CD2-CD2 3.9Å; L89-L91 HydrophobicContact CG-CD2 3.74Å; L89-L91 HydrophobicContact CG-CG 4.17Å; L91-L97 HydrophobicContact CB-CD1 4.09Å; L91-L97 HydrophobicContact CD1-CD1 4.35Å; L91-F142 HydrophobicContact CD2-CE1 4.03Å; L91-F142 HydrophobicContact CD2-CZ 4.41Å; L91-L143 HydrophobicContact CD1-CD2 3.61Å; L91-L152 HydrophobicContact CD1-CD1 4.33Å; L91-L152 HydrophobicContact CD1-CD2 4.38Å; L91-V153 PolarHBondContact N-O 2.71Å; L91-I154 HydrophobicContact CB-CD1 4.02Å; L91-I154 WeakPolarHBondContact O-CA 3.44Å; L91-F155 PolarHBondContact O-N 2.97Å; L91-L210 HydrophobicContact CD2-CB 4.03Å; L91-L210 HydrophobicContact CD2-CD2 3.94Å
92D98.8Very high96Very high10 Ų1038 Ų385%0.05318%0.181CC..  trans-74165.4165.4-175.553.7000112T96 L97 K195 L210 D211D92-T96 HydrophobicContact CB-CG2 4.14Å; D92-T96 PolarHBondContact OD2-OG1 2.99Å; D92-T96 VanDerWaalsContact OD2-OG1 3.08Å; D92-L97 WeakPolarHBondContact O-CD1 3.47Å; D92-L97 WeakPolarHBondContact O-CG 3.4Å; D92-K195 IonicContact OD1-NZ 3.88Å; D92-K195 PolarHBondContact OD1-NZ 3.17Å; D92-L210 PolarHBondContact N-O 3.36Å; D92-L210 VanDerWaalsContact N-O 3.12Å; D92-D211 HydrophobicContact CB-CB 4.22Å; D92-D211 WeakPolarHBondContact CB-OD2 3.4Å
93L98.5Very high95.5Very high0 Ų036.2 Ų36.20%017%0.168CC..  trans-105.8-77179.9-67.2-175.6000112.5T96 L97 I98 I154 T156 V166 L170L93-T96 PolarHBondContact O-N 3.34Å; L93-L97 HydrophobicContact CD2-CD1 4.26Å; L93-L97 PolarHBondContact O-N 3Å; L93-I98 HydrophobicContact CB-CG1 4.47Å; L93-I98 PolarHBondContact O-N 3.32Å; L93-I98 VanDerWaalsContact O-N 3.09Å; L93-I154 HydrophobicContact CD1-CG2 3.92Å; L93-I154 HydrophobicContact CD2-CD1 3.87Å; L93-I154 HydrophobicContact CD2-CG1 4.42Å; L93-I154 HydrophobicContact CD2-CG2 3.92Å; L93-I154 HydrophobicContact CG-CG2 3.75Å; L93-T156 HydrophobicContact CD1-CG2 3.91Å; L93-T156 HydrophobicContact CG-CG2 4.34Å; L93-V166 HydrophobicContact CD1-CB 4.43Å; L93-V166 HydrophobicContact CD1-CG1 4.27Å; L93-L170 HydrophobicContact CD2-CD1 4.05Å
94D97.3Very high94.5Very high28 Ų2833.8 Ų33.815%0.1517%0.173CC..BIsolated β-bridgetrans-67132.7-170.3-65.5-61.7000110.5T96 I98 S158 Y162D94-T96 PolarHBondContact O-N 2.75Å; D94-I98 CarbonylContact C-O 3.57Å; D94-I98 WeakPolarHBondContact OD1-CD1 3.42Å; D94-S158 WeakPolarHBondContact OD2-CB 3.28Å; D94-S158 PolarHBondContact OD2-OG 3.29Å; D94-Y162 WeakPolarHBondContact OD1-CE1 3.34Å; D94-Y162 PolarHBondContact OD1-OH 2.71Å; D94-Y162 WeakPolarHBondContact OD2-CE1 3.33Å
95E97.1Very high93.5Very high71 Ų7135.7 Ų35.733%0.33218%0.183SC..THydrogen-bonded Turntrans63.9-4.9-175.9-56.8158.7-176.100114.8I98 N212 S229 W230 F231E95-I98 WeakPolarHBondContact CA-O 3.47Å; E95-I98 PolarHBondContact N-O 2.65Å; E95-N212 WeakPolarHBondContact CB-ND2 3.41Å; E95-N212 PolarHBondContact OE2-ND2 2.75Å; E95-S229 WeakPolarHBondContact O-CA 3.46Å; E95-W230 WeakPolarHBondContact CA-O 3.42Å; E95-W230 PolarHBondContact O-N 3.3Å; E95-F231 HydrophobicContact CG-CD1 4.33Å; E95-F231 HydrophobicContact CG-CE1 3.73Å; E95-F231 HydrophobicContact CG-CZ 4.35Å
96T98.5Very high92.2Very high0 Ų034.7 Ų34.70%019%0.194CC..THydrogen-bonded Turntrans-102.6-64.6174.4-66.40000112.3D92 L93 D94 R136 L210 N212 I227D92-T96 HydrophobicContact CB-CG2 4.14Å; D92-T96 PolarHBondContact OD2-OG1 2.99Å; D92-T96 VanDerWaalsContact OD2-OG1 3.08Å; L93-T96 PolarHBondContact O-N 3.34Å; D94-T96 PolarHBondContact O-N 2.75Å; T96-R136 WeakPolarHBondContact O-CD 3.44Å; T96-R136 PolarHBondContact O-NH1 3.08Å; T96-L210 HydrophobicContact CG2-CG 4.28Å; T96-N212 PolarHBondContact OG1-N 3.3Å; T96-N212 PolarHBondContact OG1-OD1 3.32Å; T96-I227 HydrophobicContact CG2-CG2 4.04Å
97L98.7Very high91Very high0 Ų040.3 Ų40.30%022%0.215CC..THydrogen-bonded Turntrans-99.3-27.1180-64.6-175.1000112.8L91 D92 L93 R136 V139 F142 I154 L170 L239L91-L97 HydrophobicContact CB-CD1 4.09Å; L91-L97 HydrophobicContact CD1-CD1 4.35Å; D92-L97 WeakPolarHBondContact O-CD1 3.47Å; D92-L97 WeakPolarHBondContact O-CG 3.4Å; L93-L97 HydrophobicContact CD2-CD1 4.26Å; L93-L97 PolarHBondContact O-N 3Å; L97-R136 WeakPolarHBondContact O-CB 3.38Å; L97-R136 PolarHBondContact O-N 3.2Å; L97-V139 HydrophobicContact CB-CG2 4.01Å; L97-V139 HydrophobicContact CD2-CG2 4Å; L97-V139 HydrophobicContact CG-CG2 4.41Å; L97-F142 HydrophobicContact CD2-CE1 4.5Å; L97-I154 HydrophobicContact CD1-CD1 4.47Å; L97-L170 HydrophobicContact CB-CD1 4.47Å; L97-L170 HydrophobicContact CD1-CD1 4.5Å; L97-L239 HydrophobicContact CD2-CD1 4.15Å; L97-L239 HydrophobicContact CD2-CD2 4.06Å
98I98.2Very high89.9Confident0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-144.2164.5-177.158.197.5000110L93 D94 E95 V133 H134 K135 Y162 V166 L170L93-I98 HydrophobicContact CB-CG1 4.47Å; L93-I98 PolarHBondContact O-N 3.32Å; L93-I98 VanDerWaalsContact O-N 3.09Å; D94-I98 CarbonylContact C-O 3.57Å; D94-I98 WeakPolarHBondContact OD1-CD1 3.42Å; E95-I98 WeakPolarHBondContact CA-O 3.47Å; E95-I98 PolarHBondContact N-O 2.65Å; I98-V133 HydrophobicContact CB-CG1 4.03Å; I98-V133 HydrophobicContact CD1-CG1 4.11Å; I98-V133 HydrophobicContact CG1-CG1 4.44Å; I98-V133 HydrophobicContact CG2-CG1 4.28Å; I98-H134 CarbonylContact C-O 3.56Å; I98-H134 VanDerWaalsContact CA-O 3.24Å; I98-H134 WeakPolarHBondContact CA-O 3.47Å; I98-H134 WeakPolarHBondContact CB-O 3.44Å; I98-K135 HydrophobicContact CG2-CG 4.38Å; I98-Y162 VanDerWaalsContact CD1-OH 3.28Å; I98-Y162 WeakPolarHBondContact CD1-OH 3.48Å; I98-V166 HydrophobicContact CD1-CG1 4.08Å; I98-V166 HydrophobicContact CG1-CG1 3.87Å; I98-V166 HydrophobicContact CG2-CG1 4.49Å; I98-L170 HydrophobicContact CG2-CD1 3.87Å; I98-L170 HydrophobicContact CG2-CD2 3.78Å; I98-L170 HydrophobicContact CG2-CG 4.24Å
99H96.2Very high89Confident14 Ų1448.5 Ų48.57%0.06526%0.26CS..EExtended strand (participates in β ladder)trans-132.7139.1165.4179.366.6000108.6H134 W230 F231H99-H134 PolarHBondContact N-O 3.42Å; H99-H134 PolarHBondContact O-N 3.22Å; H99-W230 HydrophobicContact CB-CE3 3.92Å; H99-W230 HydrophobicContact CB-CZ3 3.79Å; H99-F231 WeakPolarHBondContact CB-O 3.37Å; H99-F231 PolarHBondContact CD2-O 3.38Å; H99-F231 AromaticContact CE1-CD1 3.53Å; H99-F231 AromaticContact ND1-CD1 3.56Å
100S93.8Very high88.2Confident22 Ų2248.7 Ų48.715%0.15426%0.262CS..EExtended strand (participates in β ladder)trans-135.5156.4179.182.50000112.7F132 Y162S100-F132 VanDerWaalsContact CA-O 3.28Å; S100-F132 WeakPolarHBondContact CA-O 3.45Å; S100-Y162 VanDerWaalsContact CB-OH 3.28Å; S100-Y162 WeakPolarHBondContact CB-OH 3.5Å; S100-Y162 PolarHBondContact OG-OH 2.94Å
101H91.7Very high87.3Confident38 Ų3856.5 Ų56.518%0.17630%0.296CS..EExtended strand (participates in β ladder)trans-137.4152.3170.460.1-84.7000108.7I105 F131 F132 H134H101-I105 HydrophobicContact CB-CD1 3.74Å; H101-F131 CarbonylContact O-C 3.58Å; H101-F131 WeakPolarHBondContact O-CA 3.22Å; H101-F132 AromaticContact CD2-CD2 3.9Å; H101-F132 PolarHBondContact N-O 3.24Å; H101-F132 AromaticContact NE2-CD2 3.85Å; H101-F132 AromaticContact NE2-CG 3.8Å; H101-F132 PolarHBondContact O-N 3.27Å; H101-H134 AromaticContact CE1-NE2 3.46Å; H101-H134 PolarHBondContact CE1-NE2 3.43Å; H101-H134 AromaticContact ND1-NE2 3.97Å
102H88.5Confident86.3Confident80 Ų8061.9 Ų61.937%0.3733%0.331SS..EExtended strand (participates in β ladder)trans-108.6162.1176.756.6-86.6000112G104 I105 V129 R130 F131H102-G104 PolarHBondContact O-N 2.69Å; H102-I105 PolarHBondContact O-N 2.88Å; H102-V129 HydrophobicContact CB-CG1 3.76Å; H102-R130 WeakPolarHBondContact CA-O 3.43Å; H102-R130 WeakPolarHBondContact CB-O 3.49Å; H102-F131 HydrophobicContact CB-CD1 3.95Å; H102-F131 HydrophobicContact CB-CE1 3.88Å; H102-F131 HydrophobicContact CB-CG 4.37Å; H102-F131 HydrophobicContact CB-CZ 4.22Å
103D81.3Confident85.4Confident71 Ų7163.4 Ų63.438%0.3835%0.349SS..THydrogen-bonded Turntrans-51.6131.3172.9-78.7-34.1000110.8R130 F132D103-R130 PolarHBondContact N-O 3.08Å; D103-R130 IonicContact OD1-CZ 3.65Å; D103-R130 IonicContact OD1-NH2 2.71Å; D103-R130 PolarHBondContact OD1-NH2 2.96Å; D103-R130 WeakPolarHBondContact OD2-CB 3.5Å; D103-R130 IonicContact OD2-CZ 2.83Å; D103-R130 IonicContact OD2-NE 3.04Å; D103-R130 PolarHBondContact OD2-NE 3.11Å; D103-R130 IonicContact OD2-NH2 3.31Å; D103-R130 PolarHBondContact OD2-NH2 3.37Å; D103-F132 VanDerWaalsContact OD1-CE2 3.25Å; D103-F132 WeakPolarHBondContact OD1-CE2 3.42Å
104G72.2Confident84.9Confident75 Ų7565.3 Ų65.377%0.77336%0.361SS*.THydrogen-bonded Turntrans98-4.2176.400000115.8H102 V106H102-G104 PolarHBondContact O-N 2.69Å; G104-V106 PolarHBondContact O-N 2.79Å
105I72.8Confident84.5Confident68 Ų6864.1 Ų64.135%0.34935%0.354SS..  trans-64.2123.9171.3-72.3176.3000110.3H101 H102H101-I105 HydrophobicContact CB-CD1 3.74Å; H102-I105 PolarHBondContact O-N 2.88Å
106V62.3Low84.2Confident136 Ų13661.9 Ų61.982%0.82435%0.346SS*.SBendtrans-71.2-32.6-175.5-176.90000112.7G104G104-V106 PolarHBondContact O-N 2.79Å
107R71.2Confident84Confident219 Ų21964.5 Ų64.583%0.82636%0.36SS*.SBendtrans-132.986.9-176.2-68.4-174.1179.7-129.50.5110.9
108P75.5Confident83.9Confident63 Ų6366.1 Ų66.141%0.40937%0.367SS..  trans-66.2136.5176.326.9-32.5000110.5
109M79.8Confident83.7Confident123 Ų12370.2 Ų70.261%0.60639%0.388SS*.SBendtrans-77.1-13.1171.6-67.2-175.917100112.4F231M109-F231 HydrophobicContact CB-CB 4.3Å; M109-F231 HydrophobicContact CB-CD1 4.34Å; M109-F231 HydrophobicContact CE-CE1 4.36Å; M109-F231 HydrophobicContact SD-CD1 3.3Å; M109-F231 WeakPolarHBondContact SD-CD1 3.5Å; M109-F231 HydrophobicContact SD-CE1 3.36Å; M109-F231 WeakPolarHBondContact SD-CE1 3.26Å; M109-F231 HydrophobicContact SD-CG 4.03Å; M109-F231 HydrophobicContact SD-CZ 4.11Å
110V82.1Confident83.7Confident5 Ų570 Ų703%0.0339%0.387CS..SBendtrans-91.8136.9175-174.30000109.1T114V110-T114 VanDerWaalsContact CG1-CB 3.47Å; V110-T114 HydrophobicContact CG1-CG2 3.82Å
111K79.9Confident83.7Confident163 Ų16378.6 Ų78.671%0.70942%0.416SS*.PPolyproline II helixtrans-54.6133176.6-70.3-179.3180177.30110.8G113 T114K111-G113 PolarHBondContact O-N 3.23Å; K111-T114 VanDerWaalsContact O-CB 3.29Å; K111-T114 WeakPolarHBondContact O-CB 3.49Å; K111-T114 PolarHBondContact O-N 2.93Å; K111-T114 PolarHBondContact O-OG1 3.3Å
112P78Confident83.8Confident114 Ų11477.3 Ų77.374%0.7441%0.411SS*.THydrogen-bonded Turntrans-52.2135.5177.7-28.735.3000112.8T114P112-T114 VanDerWaalsContact C-N 3.29Å; P112-T114 PolarHBondContact O-N 2.89Å
113G80.8Confident83.9Confident42 Ų4277.8 Ų77.843%0.43342%0.42SS..THydrogen-bonded Turntrans73.813.8-177.900000114.9R54 K111 P115R54-G113 PolarHBondContact NH1-O 3.42Å; K111-G113 PolarHBondContact O-N 3.23Å; G113-P115 WeakPolarHBondContact O-CD 3.34Å
114T86.2Confident84.2Confident40 Ų4076.2 Ų76.225%0.24541%0.411CS..PPolyproline II helixtrans-72.7120.7166-56.70000109.1V110 K111 P112V110-T114 VanDerWaalsContact CG1-CB 3.47Å; V110-T114 HydrophobicContact CG1-CG2 3.82Å; K111-T114 VanDerWaalsContact O-CB 3.29Å; K111-T114 WeakPolarHBondContact O-CB 3.49Å; K111-T114 PolarHBondContact O-N 2.93Å; K111-T114 PolarHBondContact O-OG1 3.3Å; P112-T114 VanDerWaalsContact C-N 3.29Å; P112-T114 PolarHBondContact O-N 2.89Å
115P88.9Confident85Confident3 Ų379.1 Ų79.12%0.01941%0.409CS..PPolyproline II helixtrans-66.6133.2179.7-22.635.4000111.6Y51 R54 R55 R58 G113 H134Y51-P115 HydrophobicContact CD2-CB 4.41Å; Y51-P115 HydrophobicContact CD2-CG 3.85Å; Y51-P115 HydrophobicContact CE2-CB 3.65Å; Y51-P115 HydrophobicContact CE2-CG 3.6Å; Y51-P115 HydrophobicContact CG-CG 4.5Å; R54-P115 HydrophobicContact CB-CG 4.3Å; R55-P115 HydrophobicContact CB-CB 4.1Å; R55-P115 HydrophobicContact CB-CG 3.82Å; R55-P115 HydrophobicContact CG-CB 4.19Å; R55-P115 HydrophobicContact CG-CG 4.45Å; R58-P115 PolarHBondContact NH1-O 2.65Å; G113-P115 WeakPolarHBondContact O-CD 3.34Å; P115-H134 PolarHBondContact O-CE1 2.94Å
116P92.5Very high85.7Confident23 Ų2387 Ų8715%0.14943%0.434CS..PPolyproline II helixtrans-68.7157.4171.633.8-39.6000111.2I119 F132P116-I119 HydrophobicContact CG-CD1 4.26Å; P116-I119 HydrophobicContact CG-CG1 3.86Å; P116-F132 HydrophobicContact CB-CB 4.13Å; P116-F132 HydrophobicContact CG-CD1 4.11Å
117D93.9Very high87Confident55 Ų5586.8 Ų86.829%0.29442%0.424SS..SBendtrans-74.4-39.3172.6-71.3-85.9000110.9R58 V133 H134 K135R58-D117 IonicContact CZ-OD2 3.01Å; R58-D117 VanDerWaalsContact CZ-OD2 3.31Å; R58-D117 IonicContact NH1-OD2 3.31Å; R58-D117 PolarHBondContact NH1-OD2 2.97Å; R58-D117 IonicContact NH2-OD2 2.73Å; R58-D117 PolarHBondContact NH2-OD2 3.35Å; D117-V133 PolarHBondContact N-O 2.95Å; D117-H134 VanDerWaalsContact OD2-CA 3.26Å; D117-H134 WeakPolarHBondContact OD2-CA 3.49Å; D117-K135 HydrophobicContact CB-CB 4.35Å; D117-K135 HydrophobicContact CB-CD 4.47Å; D117-K135 HydrophobicContact CB-CG 3.97Å; D117-K135 PolarHBondContact OD2-N 3.34Å
118F95.1Very high88Confident34 Ų3481.7 Ų81.715%0.14942%0.419CS..EExtended strand (participates in β ladder)trans-154.5159.8169.650.9-92000111.2L120 V133 K135 K169F118-L120 HydrophobicContact CD2-CD2 4Å; F118-L120 HydrophobicContact CD2-CG 3.93Å; F118-L120 HydrophobicContact CE2-CD1 4.07Å; F118-L120 HydrophobicContact CE2-CD2 4.21Å; F118-L120 HydrophobicContact CE2-CG 4Å; F118-V133 HydrophobicContact CD2-CB 3.76Å; F118-V133 HydrophobicContact CD2-CG1 4.33Å; F118-V133 HydrophobicContact CD2-CG2 4.02Å; F118-V133 HydrophobicContact CE1-CB 4.46Å; F118-V133 HydrophobicContact CE1-CG1 4.17Å; F118-V133 HydrophobicContact CE2-CB 3.43Å; F118-V133 VanDerWaalsContact CE2-CB 3.43Å; F118-V133 HydrophobicContact CE2-CG1 3.54Å; F118-V133 HydrophobicContact CE2-CG2 3.65Å; F118-V133 HydrophobicContact CG-CB 4.41Å; F118-V133 HydrophobicContact CZ-CB 3.82Å; F118-V133 HydrophobicContact CZ-CG1 3.44Å; F118-V133 VanDerWaalsContact CZ-CG1 3.44Å; F118-V133 HydrophobicContact CZ-CG2 4.43Å; F118-V133 PolarHBondContact N-O 3.09Å; F118-V133 PolarHBondContact O-N 3.34Å; F118-K135 HydrophobicContact CE1-CD 4.16Å; F118-K135 HydrophobicContact CE1-CG 3.94Å; F118-K169 HydrophobicContact CD1-CB 4.23Å; F118-K169 HydrophobicContact CD2-CB 4.04Å; F118-K169 HydrophobicContact CD2-CG 3.83Å; F118-K169 HydrophobicContact CE1-CB 3.89Å; F118-K169 HydrophobicContact CE2-CB 3.67Å; F118-K169 HydrophobicContact CE2-CG 3.83Å; F118-K169 HydrophobicContact CG-CB 4.3Å; F118-K169 HydrophobicContact CG-CG 4.26Å; F118-K169 HydrophobicContact CZ-CB 3.6Å; F118-K169 HydrophobicContact CZ-CG 4.28Å
119I95.2Very high88.8Confident87 Ų8780.2 Ų80.245%0.44641%0.409SS..EExtended strand (participates in β ladder)trans-112.7126176.5-57.9172.5000108P116 R130 F131 F132P116-I119 HydrophobicContact CG-CD1 4.26Å; P116-I119 HydrophobicContact CG-CG1 3.86Å; I119-R130 HydrophobicContact CG2-CB 4.48Å; I119-F131 CarbonylContact C-O 3.56Å; I119-F131 VanDerWaalsContact CA-O 3.3Å; I119-F131 WeakPolarHBondContact CA-O 3.07Å; I119-F132 HydrophobicContact CD1-CD1 4.07Å; I119-F132 HydrophobicContact CD1-CE1 3.96Å; I119-F132 HydrophobicContact CG1-CD1 3.98Å; I119-F132 HydrophobicContact CG1-CE1 4.32Å
120L95.7Very high89.5Confident10 Ų1079.3 Ų79.35%0.05240%0.399CS..EExtended strand (participates in β ladder)trans-100.1139.2173.2-63.2179.1000110.1F118 R130 F131 V133 A165 V166 K169F118-L120 HydrophobicContact CD2-CD2 4Å; F118-L120 HydrophobicContact CD2-CG 3.93Å; F118-L120 HydrophobicContact CE2-CD1 4.07Å; F118-L120 HydrophobicContact CE2-CD2 4.21Å; F118-L120 HydrophobicContact CE2-CG 4Å; L120-R130 CarbonylContact O-C 3.13Å; L120-R130 VanDerWaalsContact O-CA 3.31Å; L120-R130 WeakPolarHBondContact O-CA 3.31Å; L120-F131 HydrophobicContact CB-CB 4.29Å; L120-F131 PolarHBondContact N-O 3.17Å; L120-F131 PolarHBondContact O-N 3.13Å; L120-V133 HydrophobicContact CD1-CG2 4.03Å; L120-V133 HydrophobicContact CG-CG2 4.16Å; L120-A165 HydrophobicContact CD1-CB 3.97Å; L120-A165 HydrophobicContact CD2-CB 4.24Å; L120-V166 HydrophobicContact CD1-CB 4.27Å; L120-V166 HydrophobicContact CD1-CG2 3.38Å; L120-K169 HydrophobicContact CD2-CG 3.84Å
121R95.1Very high90.1Very high202 Ų20280 Ų8076%0.76240%0.402SS*.EExtended strand (participates in β ladder)trans-113.3112.1169.9-74.8178.6168.6124.3-4107.1R130R121-R130 HydrophobicContact CG-CG 4.04Å
122V92.5Very high90.8Very high10 Ų1074.2 Ų74.26%0.06138%0.376CS..EExtended strand (participates in β ladder)trans-125.2144.5178.8-62.30000109.3I124 V129 F131 V161 A165V122-I124 HydrophobicContact CG2-CD1 4.15Å; V122-I124 HydrophobicContact CG2-CG1 4.17Å; V122-V129 PolarHBondContact N-O 2.8Å; V122-V129 PolarHBondContact O-N 3.19Å; V122-F131 HydrophobicContact CG2-CD2 3.58Å; V122-F131 HydrophobicContact CG2-CE2 3.27Å; V122-F131 HydrophobicContact CG2-CZ 4.42Å; V122-V161 HydrophobicContact CB-CG1 4.03Å; V122-V161 HydrophobicContact CG1-CG1 4.31Å; V122-A165 HydrophobicContact CG1-CB 4.31Å
123T91Very high91.6Very high91 Ų9168.8 Ų68.856%0.55834%0.341SS*.EExtended strand (participates in β ladder)trans-98116.3176.5-57.60000108.7H127T123-H127 WeakPolarHBondContact CA-O 3.24Å
124I87.3Confident92.3Very high37 Ų3766.9 Ų66.919%0.1932%0.321CS..EExtended strand (participates in β ladder)trans-114.9122.3176.9-56.6174.5000106.8V122 R126 H127 V129 F131 M159V122-I124 HydrophobicContact CG2-CD1 4.15Å; V122-I124 HydrophobicContact CG2-CG1 4.17Å; I124-R126 VanDerWaalsContact C-N 3.27Å; I124-R126 PolarHBondContact O-N 3.47Å; I124-H127 PolarHBondContact N-O 2.86Å; I124-H127 WeakPolarHBondContact O-CA 3.4Å; I124-H127 WeakPolarHBondContact O-CB 3.29Å; I124-H127 PolarHBondContact O-N 2.93Å; I124-V129 HydrophobicContact CB-CG2 4.41Å; I124-V129 HydrophobicContact CD1-CB 4.49Å; I124-V129 HydrophobicContact CD1-CG2 4.3Å; I124-V129 HydrophobicContact CG1-CG2 4.49Å; I124-F131 HydrophobicContact CD1-CE2 4.13Å; I124-F131 HydrophobicContact CD1-CZ 4.11Å; I124-M159 HydrophobicContact CG2-CE 4.27Å; I124-M159 HydrophobicContact CG2-SD 4.37Å
125D88.3Confident92.8Very high136 Ų13667.1 Ų67.173%0.72732%0.318SS*.THydrogen-bonded Turntrans48.546.1179.8-58.2-35.9000113.9H127D125-H127 PolarHBondContact O-CE1 3.18Å; D125-H127 PolarHBondContact O-N 2.58Å; D125-H127 PolarHBondContact O-ND1 2.83Å
126R89Confident93.2Very high235 Ų23567 Ų6789%0.88732%0.318SS*.THydrogen-bonded Turntrans67.72.7-177.1-49.3177.7-179.9-175.4-0.7115.6I124I124-R126 VanDerWaalsContact C-N 3.27Å; I124-R126 PolarHBondContact O-N 3.47Å
127H89.2Confident93.3Very high130 Ų13066.1 Ų66.160%0.60231%0.312SS*.EExtended strand (participates in β ladder)trans-101.9123.9176.4-61.884.1000109.9T123 I124 D125 V129T123-H127 WeakPolarHBondContact CA-O 3.24Å; I124-H127 PolarHBondContact N-O 2.86Å; I124-H127 WeakPolarHBondContact O-CA 3.4Å; I124-H127 WeakPolarHBondContact O-CB 3.29Å; I124-H127 PolarHBondContact O-N 2.93Å; D125-H127 PolarHBondContact O-CE1 3.18Å; D125-H127 PolarHBondContact O-N 2.58Å; D125-H127 PolarHBondContact O-ND1 2.83Å; H127-V129 PolarHBondContact O-N 2.6Å
128P91.9Very high93.3Very high112 Ų11265 Ų6573%0.72730%0.304SS*.EExtended strand (participates in β ladder)trans-72.2122.2173.729-32000109.7
129V92.5Very high93.4Very high33 Ų3363.4 Ų63.420%0.230%0.298CS..EExtended strand (participates in β ladder)trans-114.7133.8177.9-174.20000109H102 V122 I124 H127 F131H102-V129 HydrophobicContact CB-CG1 3.76Å; V122-V129 PolarHBondContact N-O 2.8Å; V122-V129 PolarHBondContact O-N 3.19Å; I124-V129 HydrophobicContact CB-CG2 4.41Å; I124-V129 HydrophobicContact CD1-CB 4.49Å; I124-V129 HydrophobicContact CD1-CG2 4.3Å; I124-V129 HydrophobicContact CG1-CG2 4.49Å; H127-V129 PolarHBondContact O-N 2.6Å; V129-F131 HydrophobicContact CB-CE2 3.9Å; V129-F131 HydrophobicContact CG1-CD2 4.06Å; V129-F131 HydrophobicContact CG1-CE2 3.47Å; V129-F131 VanDerWaalsContact CG1-CE2 3.47Å; V129-F131 HydrophobicContact CG1-CZ 3.89Å
130R94.1Very high93.5Very high103 Ų10362 Ų6239%0.38929%0.291SS..EExtended strand (participates in β ladder)trans-98.7130172.7-65.8-172.6-65.1177.21.9110H102 D103 I119 L120 R121H102-R130 WeakPolarHBondContact CA-O 3.43Å; H102-R130 WeakPolarHBondContact CB-O 3.49Å; D103-R130 PolarHBondContact N-O 3.08Å; D103-R130 IonicContact OD1-CZ 3.65Å; D103-R130 IonicContact OD1-NH2 2.71Å; D103-R130 PolarHBondContact OD1-NH2 2.96Å; D103-R130 WeakPolarHBondContact OD2-CB 3.5Å; D103-R130 IonicContact OD2-CZ 2.83Å; D103-R130 IonicContact OD2-NE 3.04Å; D103-R130 PolarHBondContact OD2-NE 3.11Å; D103-R130 IonicContact OD2-NH2 3.31Å; D103-R130 PolarHBondContact OD2-NH2 3.37Å; I119-R130 HydrophobicContact CG2-CB 4.48Å; L120-R130 CarbonylContact O-C 3.13Å; L120-R130 VanDerWaalsContact O-CA 3.31Å; L120-R130 WeakPolarHBondContact O-CA 3.31Å; R121-R130 HydrophobicContact CG-CG 4.04Å
131F94.8Very high93.4Very high21 Ų2164 Ų649%0.09230%0.298CS..EExtended strand (participates in β ladder)trans-111.4128.3172.6-68.7-97.6000109.7H101 H102 I119 L120 V122 I124 V129 V133 Y162H101-F131 CarbonylContact O-C 3.58Å; H101-F131 WeakPolarHBondContact O-CA 3.22Å; H102-F131 HydrophobicContact CB-CD1 3.95Å; H102-F131 HydrophobicContact CB-CE1 3.88Å; H102-F131 HydrophobicContact CB-CG 4.37Å; H102-F131 HydrophobicContact CB-CZ 4.22Å; I119-F131 CarbonylContact C-O 3.56Å; I119-F131 VanDerWaalsContact CA-O 3.3Å; I119-F131 WeakPolarHBondContact CA-O 3.07Å; L120-F131 HydrophobicContact CB-CB 4.29Å; L120-F131 PolarHBondContact N-O 3.17Å; L120-F131 PolarHBondContact O-N 3.13Å; V122-F131 HydrophobicContact CG2-CD2 3.58Å; V122-F131 HydrophobicContact CG2-CE2 3.27Å; V122-F131 HydrophobicContact CG2-CZ 4.42Å; I124-F131 HydrophobicContact CD1-CE2 4.13Å; I124-F131 HydrophobicContact CD1-CZ 4.11Å; V129-F131 HydrophobicContact CB-CE2 3.9Å; V129-F131 HydrophobicContact CG1-CD2 4.06Å; V129-F131 HydrophobicContact CG1-CE2 3.47Å; V129-F131 VanDerWaalsContact CG1-CE2 3.47Å; V129-F131 HydrophobicContact CG1-CZ 3.89Å; F131-V133 HydrophobicContact CB-CG2 4.28Å; F131-Y162 HydrophobicContact CB-CE2 4.21Å; F131-Y162 AromaticContact CD1-CD2 3.93Å; F131-Y162 HydrophobicContact CD1-CD2 3.93Å; F131-Y162 AromaticContact CD1-CE2 3.68Å; F131-Y162 HydrophobicContact CD1-CE2 3.68Å; F131-Y162 HydrophobicContact CD2-CD2 4.14Å; F131-Y162 HydrophobicContact CE1-CD2 4.1Å; F131-Y162 HydrophobicContact CE1-CE2 4.17Å; F131-Y162 HydrophobicContact CE2-CD2 4.32Å; F131-Y162 AromaticContact CG-CD2 3.95Å; F131-Y162 HydrophobicContact CG-CD2 3.95Å; F131-Y162 AromaticContact CG-CE2 3.89Å; F131-Y162 HydrophobicContact CG-CE2 3.89Å; F131-Y162 HydrophobicContact CZ-CD2 4.29Å
132F94.5Very high93.6Very high41 Ų4154.4 Ų54.418%0.1826%0.262CS..EExtended strand (participates in β ladder)trans-95.1108.8172.5-58.8-92.1000107.3S100 H101 D103 P116 I119S100-F132 VanDerWaalsContact CA-O 3.28Å; S100-F132 WeakPolarHBondContact CA-O 3.45Å; H101-F132 AromaticContact CD2-CD2 3.9Å; H101-F132 PolarHBondContact N-O 3.24Å; H101-F132 AromaticContact NE2-CD2 3.85Å; H101-F132 AromaticContact NE2-CG 3.8Å; H101-F132 PolarHBondContact O-N 3.27Å; D103-F132 VanDerWaalsContact OD1-CE2 3.25Å; D103-F132 WeakPolarHBondContact OD1-CE2 3.42Å; P116-F132 HydrophobicContact CB-CB 4.13Å; P116-F132 HydrophobicContact CG-CD1 4.11Å; I119-F132 HydrophobicContact CD1-CD1 4.07Å; I119-F132 HydrophobicContact CD1-CE1 3.96Å; I119-F132 HydrophobicContact CG1-CD1 3.98Å; I119-F132 HydrophobicContact CG1-CE1 4.32Å
133V95.5Very high93.8Very high0 Ų054 Ų540%026%0.26CS..EExtended strand (participates in β ladder)trans-105.3130.5-171.9-172.60000109.7I98 D117 F118 L120 F131I98-V133 HydrophobicContact CB-CG1 4.03Å; I98-V133 HydrophobicContact CD1-CG1 4.11Å; I98-V133 HydrophobicContact CG1-CG1 4.44Å; I98-V133 HydrophobicContact CG2-CG1 4.28Å; D117-V133 PolarHBondContact N-O 2.95Å; F118-V133 HydrophobicContact CD2-CB 3.76Å; F118-V133 HydrophobicContact CD2-CG1 4.33Å; F118-V133 HydrophobicContact CD2-CG2 4.02Å; F118-V133 HydrophobicContact CE1-CB 4.46Å; F118-V133 HydrophobicContact CE1-CG1 4.17Å; F118-V133 HydrophobicContact CE2-CB 3.43Å; F118-V133 VanDerWaalsContact CE2-CB 3.43Å; F118-V133 HydrophobicContact CE2-CG1 3.54Å; F118-V133 HydrophobicContact CE2-CG2 3.65Å; F118-V133 HydrophobicContact CG-CB 4.41Å; F118-V133 HydrophobicContact CZ-CB 3.82Å; F118-V133 HydrophobicContact CZ-CG1 3.44Å; F118-V133 VanDerWaalsContact CZ-CG1 3.44Å; F118-V133 HydrophobicContact CZ-CG2 4.43Å; F118-V133 PolarHBondContact N-O 3.09Å; F118-V133 PolarHBondContact O-N 3.34Å; L120-V133 HydrophobicContact CD1-CG2 4.03Å; L120-V133 HydrophobicContact CG-CG2 4.16Å; F131-V133 HydrophobicContact CB-CG2 4.28Å
134H95.4Very high94.1Very high1 Ų152.5 Ų52.51%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-110.3132.5174.1-61.2-93.2000109R58 I98 H99 H101 P115 D117 W230R58-H134 PolarHBondContact NH1-ND1 3.34Å; I98-H134 CarbonylContact C-O 3.56Å; I98-H134 VanDerWaalsContact CA-O 3.24Å; I98-H134 WeakPolarHBondContact CA-O 3.47Å; I98-H134 WeakPolarHBondContact CB-O 3.44Å; H99-H134 PolarHBondContact N-O 3.42Å; H99-H134 PolarHBondContact O-N 3.22Å; H101-H134 AromaticContact CE1-NE2 3.46Å; H101-H134 PolarHBondContact CE1-NE2 3.43Å; H101-H134 AromaticContact ND1-NE2 3.97Å; P115-H134 PolarHBondContact O-CE1 2.94Å; D117-H134 VanDerWaalsContact OD2-CA 3.26Å; D117-H134 WeakPolarHBondContact OD2-CA 3.49Å; H134-W230 HydrophobicContact CB-CH2 3.84Å; H134-W230 HydrophobicContact CB-CZ3 4.09Å; H134-W230 WeakPolarHBondContact O-CZ3 3.46Å
135K96.4Very high94.5Very high45 Ų4552 Ų5220%0.19625%0.251CS..EExtended strand (participates in β ladder)trans-84.3134.1174.6-72-170-61.5177.60110.2I98 D117 F118 V139 D140 L170 W230I98-K135 HydrophobicContact CG2-CG 4.38Å; D117-K135 HydrophobicContact CB-CB 4.35Å; D117-K135 HydrophobicContact CB-CD 4.47Å; D117-K135 HydrophobicContact CB-CG 3.97Å; D117-K135 PolarHBondContact OD2-N 3.34Å; F118-K135 HydrophobicContact CE1-CD 4.16Å; F118-K135 HydrophobicContact CE1-CG 3.94Å; K135-V139 HydrophobicContact CB-CG1 3.78Å; K135-V139 HydrophobicContact CD-CG1 3.94Å; K135-V139 HydrophobicContact CG-CG1 4.12Å; K135-D140 IonicContact NZ-OD1 3.38Å; K135-D140 IonicContact NZ-OD2 2.7Å; K135-D140 PolarHBondContact NZ-OD2 3.32Å; K135-L170 HydrophobicContact CD-CD2 3.97Å; K135-L170 HydrophobicContact CG-CD2 4.08Å; K135-W230 WeakPolarHBondContact O-CH2 3.27Å
136R96.8Very high95Very high2 Ų245.5 Ų45.51%0.00822%0.217CC..PPolyproline II helixtrans-59.2136.1167.5-173.4168.1-171.4152.414.9108.5T96 L97 H138 V139 I227 K228 W230 D236 E238 L239T96-R136 WeakPolarHBondContact O-CD 3.44Å; T96-R136 PolarHBondContact O-NH1 3.08Å; L97-R136 WeakPolarHBondContact O-CB 3.38Å; L97-R136 PolarHBondContact O-N 3.2Å; R136-H138 PolarHBondContact O-N 2.74Å; R136-V139 WeakPolarHBondContact O-CB 3.47Å; R136-V139 VanDerWaalsContact O-CG1 3.28Å; R136-V139 WeakPolarHBondContact O-CG1 3.48Å; R136-V139 PolarHBondContact O-N 2.76Å; R136-I227 VanDerWaalsContact NH1-CD1 3.27Å; R136-K228 PolarHBondContact NH1-O 3.29Å; R136-K228 PolarHBondContact NH2-O 3.42Å; R136-W230 HydrophobicContact CB-CD2 3.81Å; R136-W230 HydrophobicContact CB-CE3 3.77Å; R136-W230 HydrophobicContact CB-CG 4.25Å; R136-W230 HydrophobicContact CB-CZ3 4.19Å; R136-W230 HydrophobicContact CG-CB 4.19Å; R136-W230 HydrophobicContact CG-CD2 3.75Å; R136-W230 HydrophobicContact CG-CE3 4.23Å; R136-W230 HydrophobicContact CG-CG 3.7Å; R136-D236 IonicContact CZ-OD1 2.96Å; R136-D236 IonicContact CZ-OD2 3.74Å; R136-D236 IonicContact NE-OD1 2.79Å; R136-D236 PolarHBondContact NE-OD1 3.18Å; R136-D236 IonicContact NE-OD2 3.61Å; R136-D236 IonicContact NH2-OD1 3.99Å; R136-D236 PolarHBondContact NH2-OD1 2.79Å; R136-D236 IonicContact NH2-OD2 3.79Å; R136-D236 PolarHBondContact NH2-OD2 3.01Å; R136-E238 VanDerWaalsContact NH2-CG 3.29Å; R136-L239 HydrophobicContact CB-CD1 4.17Å; R136-L239 HydrophobicContact CG-CD1 3.99Å; R136-L239 HydrophobicContact CG-CG 4.35Å
137P94.6Very high95.4Very high3 Ų335.1 Ų35.12%0.01918%0.181CC..THydrogen-bonded Turntrans-50143.7177.4-27.134.3000111.3V139 W230 D233 D236P137-V139 PolarHBondContact O-N 2.98Å; P137-V139 VanDerWaalsContact O-N 3.13Å; P137-W230 VanDerWaalsContact CD-CE2 3.46Å; P137-W230 HydrophobicContact CG-CZ2 4.43Å; P137-D233 WeakPolarHBondContact CG-O 3.21Å; P137-D236 VanDerWaalsContact CB-O 3.32Å; P137-D236 WeakPolarHBondContact CB-O 3.38Å; P137-D236 HydrophobicContact CG-CB 4.12Å
138H94.9Very high95.7Very high31 Ų3131.4 Ų31.414%0.14418%0.178CC..THydrogen-bonded Turntrans690.9177.4-42-55.2000116.2Q64 R136 D140 Y141 F142 D236Q64-H138 VanDerWaalsContact CD-ND1 3.29Å; Q64-H138 PolarHBondContact NE2-ND1 2.8Å; Q64-H138 VanDerWaalsContact OE1-CB 3.3Å; Q64-H138 PolarHBondContact OE1-ND1 3.05Å; R136-H138 PolarHBondContact O-N 2.74Å; H138-D140 PolarHBondContact O-N 3.11Å; H138-Y141 PolarHBondContact O-N 3.37Å; H138-Y141 VanDerWaalsContact O-N 3.17Å; H138-F142 WeakPolarHBondContact O-CB 3.21Å; H138-F142 PolarHBondContact O-N 3.14Å; H138-D236 PolarHBondContact CD2-O 2.86Å
139V97.1Very high95.9Very high1 Ų127.3 Ų27.31%0.00615%0.148CC..Hα-helixtrans-56.7-42.6-175.968.80000114.2L97 K135 R136 P137 Y141 F142 L143 L170 L239L97-V139 HydrophobicContact CB-CG2 4.01Å; L97-V139 HydrophobicContact CD2-CG2 4Å; L97-V139 HydrophobicContact CG-CG2 4.41Å; K135-V139 HydrophobicContact CB-CG1 3.78Å; K135-V139 HydrophobicContact CD-CG1 3.94Å; K135-V139 HydrophobicContact CG-CG1 4.12Å; R136-V139 WeakPolarHBondContact O-CB 3.47Å; R136-V139 VanDerWaalsContact O-CG1 3.28Å; R136-V139 WeakPolarHBondContact O-CG1 3.48Å; R136-V139 PolarHBondContact O-N 2.76Å; P137-V139 PolarHBondContact O-N 2.98Å; P137-V139 VanDerWaalsContact O-N 3.13Å; V139-Y141 VanDerWaalsContact C-N 3.32Å; V139-Y141 PolarHBondContact O-N 2.99Å; V139-F142 PolarHBondContact O-N 3.11Å; V139-L143 HydrophobicContact CG2-CD1 4.11Å; V139-L143 HydrophobicContact CG2-CG 4.31Å; V139-L143 WeakPolarHBondContact O-CB 3.37Å; V139-L143 VanDerWaalsContact O-CG 3.24Å; V139-L143 WeakPolarHBondContact O-CG 3.18Å; V139-L143 PolarHBondContact O-N 2.92Å; V139-L170 HydrophobicContact CG1-CD2 4.31Å; V139-L170 HydrophobicContact CG2-CD2 4.46Å; V139-L239 HydrophobicContact CB-CD1 3.88Å; V139-L239 HydrophobicContact CG2-CD1 4.14Å
140D96.1Very high96.2Very high59 Ų5925.8 Ų25.832%0.31614%0.139SC..Hα-helixtrans-66.9-37.9-178.7-57.6-55.5000112.1K135 H138 S144 R174K135-D140 IonicContact NZ-OD1 3.38Å; K135-D140 IonicContact NZ-OD2 2.7Å; K135-D140 PolarHBondContact NZ-OD2 3.32Å; H138-D140 PolarHBondContact O-N 3.11Å; D140-S144 PolarHBondContact O-N 3.42Å; D140-S144 VanDerWaalsContact O-N 3.14Å; D140-S144 PolarHBondContact O-OG 3.28Å; D140-R174 PolarHBondContact O-NH1 3.29Å
141Y95.5Very high96.4Very high51 Ų5123.9 Ų23.920%0.214%0.136CC..Hα-helixtrans-70.4-48.9177.4178-112.5000110.4Q64 R67 Y68 H138 V139 L143 S144 V145 L240 L243Q64-Y141 HydrophobicContact CG-CD1 4.12Å; Q64-Y141 HydrophobicContact CG-CG 4.23Å; R67-Y141 WeakPolarHBondContact CA-OH 3.5Å; Y68-Y141 PolarHBondContact N-OH 3.14Å; H138-Y141 PolarHBondContact O-N 3.37Å; H138-Y141 VanDerWaalsContact O-N 3.17Å; V139-Y141 VanDerWaalsContact C-N 3.32Å; V139-Y141 PolarHBondContact O-N 2.99Å; Y141-L143 PolarHBondContact O-N 3.4Å; Y141-S144 WeakPolarHBondContact O-CB 3.42Å; Y141-S144 PolarHBondContact O-N 3.17Å; Y141-S144 VanDerWaalsContact O-N 3.11Å; Y141-V145 HydrophobicContact CD1-CG2 4.45Å; Y141-V145 HydrophobicContact CD2-CG2 4.2Å; Y141-V145 HydrophobicContact CE1-CG2 3.99Å; Y141-V145 HydrophobicContact CE2-CG2 3.69Å; Y141-V145 WeakPolarHBondContact O-CG2 3.37Å; Y141-V145 PolarHBondContact O-N 3.45Å; Y141-L240 HydrophobicContact CD1-CD1 4.16Å; Y141-L240 HydrophobicContact CE1-CD1 4.01Å; Y141-L243 HydrophobicContact CD1-CD1 4.46Å; Y141-L243 HydrophobicContact CE1-CD1 3.95Å
142F97.5Very high96.6Very high1 Ų123.3 Ų23.30%0.00413%0.134CC..Hα-helixtrans-49.9-55.3173.4172.8-96.3000110.9L89 L91 L97 H138 V139 S144 V145 V146 L210 L239 L242 L243 L246L89-F142 HydrophobicContact CD2-CZ 4.44Å; L91-F142 HydrophobicContact CD2-CE1 4.03Å; L91-F142 HydrophobicContact CD2-CZ 4.41Å; L97-F142 HydrophobicContact CD2-CE1 4.5Å; H138-F142 WeakPolarHBondContact O-CB 3.21Å; H138-F142 PolarHBondContact O-N 3.14Å; V139-F142 PolarHBondContact O-N 3.11Å; F142-S144 VanDerWaalsContact C-N 3.3Å; F142-S144 PolarHBondContact O-N 3.11Å; F142-V145 PolarHBondContact O-N 2.82Å; F142-V145 VanDerWaalsContact O-N 3.11Å; F142-V146 HydrophobicContact CD1-CG2 4.14Å; F142-V146 HydrophobicContact CD2-CG1 4.09Å; F142-V146 HydrophobicContact CE1-CG1 4.37Å; F142-V146 HydrophobicContact CE1-CG2 3.87Å; F142-V146 HydrophobicContact CE2-CG1 3.75Å; F142-V146 HydrophobicContact CZ-CG1 3.9Å; F142-V146 HydrophobicContact CZ-CG2 4.17Å; F142-V146 VanDerWaalsContact O-CG2 3.29Å; F142-V146 WeakPolarHBondContact O-CG2 3.34Å; F142-V146 PolarHBondContact O-N 2.84Å; F142-L210 HydrophobicContact CE1-CD2 4.33Å; F142-L210 HydrophobicContact CZ-CD2 3.86Å; F142-L239 HydrophobicContact CB-CB 4.19Å; F142-L239 HydrophobicContact CD1-CD2 4.37Å; F142-L239 HydrophobicContact CD2-CB 3.98Å; F142-L239 HydrophobicContact CD2-CD2 4.49Å; F142-L239 WeakPolarHBondContact CD2-O 3.39Å; F142-L239 HydrophobicContact CE1-CD2 4.33Å; F142-L239 HydrophobicContact CE2-CD2 4.43Å; F142-L239 HydrophobicContact CG-CB 4.07Å; F142-L239 HydrophobicContact CG-CD2 4.45Å; F142-L239 HydrophobicContact CZ-CD2 4.36Å; F142-L242 HydrophobicContact CE2-CB 4.49Å; F142-L243 HydrophobicContact CD2-CD2 3.65Å; F142-L243 HydrophobicContact CD2-CG 4.37Å; F142-L243 HydrophobicContact CE2-CD2 4.1Å; F142-L246 HydrophobicContact CE2-CD1 3.55Å; F142-L246 HydrophobicContact CZ-CD1 3.79Å
143L98.4Very high96.8Very high1 Ų121.4 Ų21.41%0.00513%0.126CC..Hα-helixtrans-57.3-41.4179.2-72.2175.3000112.4L91 V139 Y141 A147 L152 L170 L177L91-L143 HydrophobicContact CD1-CD2 3.61Å; V139-L143 HydrophobicContact CG2-CD1 4.11Å; V139-L143 HydrophobicContact CG2-CG 4.31Å; V139-L143 WeakPolarHBondContact O-CB 3.37Å; V139-L143 VanDerWaalsContact O-CG 3.24Å; V139-L143 WeakPolarHBondContact O-CG 3.18Å; V139-L143 PolarHBondContact O-N 2.92Å; Y141-L143 PolarHBondContact O-N 3.4Å; L143-A147 WeakPolarHBondContact O-CB 3.2Å; L143-A147 PolarHBondContact O-N 3.35Å; L143-L152 HydrophobicContact CD2-CD1 4.06Å; L143-L170 HydrophobicContact CD1-CB 4.35Å; L143-L177 HydrophobicContact CD1-CD1 4.22Å; L143-L177 HydrophobicContact CD2-CD2 4.2Å
144S96.2Very high97Very high59 Ų5921.4 Ų21.441%0.41313%0.126SC..Hα-helixtrans-62.2-43.9177.4-55.10000112D140 Y141 F142 R174D140-S144 PolarHBondContact O-N 3.42Å; D140-S144 VanDerWaalsContact O-N 3.14Å; D140-S144 PolarHBondContact O-OG 3.28Å; Y141-S144 WeakPolarHBondContact O-CB 3.42Å; Y141-S144 PolarHBondContact O-N 3.17Å; Y141-S144 VanDerWaalsContact O-N 3.11Å; F142-S144 VanDerWaalsContact C-N 3.3Å; F142-S144 PolarHBondContact O-N 3.11Å; S144-R174 PolarHBondContact OG-NH1 3.06Å
145V96.3Very high97.1Very high26 Ų2621.3 Ų21.316%0.15813%0.125CC..Hα-helixtrans-69.7-53-178.5173.90000110.5Y141 F142 A147 G148 W149 L243Y141-V145 HydrophobicContact CD1-CG2 4.45Å; Y141-V145 HydrophobicContact CD2-CG2 4.2Å; Y141-V145 HydrophobicContact CE1-CG2 3.99Å; Y141-V145 HydrophobicContact CE2-CG2 3.69Å; Y141-V145 WeakPolarHBondContact O-CG2 3.37Å; Y141-V145 PolarHBondContact O-N 3.45Å; F142-V145 PolarHBondContact O-N 2.82Å; F142-V145 VanDerWaalsContact O-N 3.11Å; V145-A147 VanDerWaalsContact C-N 3.28Å; V145-A147 PolarHBondContact O-N 2.8Å; V145-G148 PolarHBondContact O-N 2.99Å; V145-W149 HydrophobicContact CG1-CD2 4.35Å; V145-W149 HydrophobicContact CG1-CE3 4.29Å; V145-W149 HydrophobicContact CG1-CH2 3.25Å; V145-W149 HydrophobicContact CG1-CZ2 3.3Å; V145-W149 HydrophobicContact CG1-CZ3 3.78Å; V145-L243 HydrophobicContact CB-CD2 4.16Å; V145-L243 HydrophobicContact CG1-CD1 4.42Å; V145-L243 HydrophobicContact CG1-CD2 3.86Å
146V97.9Very high97.2Very high0 Ų019.2 Ų19.20%012%0.116CC..Hα-helixtrans-69.7-26-175.5-600000112.6L89 F142 G148 W149 Y150 L152 L243 L246L89-V146 HydrophobicContact CD2-CB 4.06Å; L89-V146 HydrophobicContact CD2-CG1 4.38Å; L89-V146 HydrophobicContact CD2-CG2 4.04Å; F142-V146 HydrophobicContact CD1-CG2 4.14Å; F142-V146 HydrophobicContact CD2-CG1 4.09Å; F142-V146 HydrophobicContact CE1-CG1 4.37Å; F142-V146 HydrophobicContact CE1-CG2 3.87Å; F142-V146 HydrophobicContact CE2-CG1 3.75Å; F142-V146 HydrophobicContact CZ-CG1 3.9Å; F142-V146 HydrophobicContact CZ-CG2 4.17Å; F142-V146 VanDerWaalsContact O-CG2 3.29Å; F142-V146 WeakPolarHBondContact O-CG2 3.34Å; F142-V146 PolarHBondContact O-N 2.84Å; V146-G148 PolarHBondContact O-N 3.13Å; V146-W149 HydrophobicContact CG1-CE3 4.15Å; V146-W149 HydrophobicContact CG1-CZ3 4.26Å; V146-W149 PolarHBondContact O-N 3.36Å; V146-Y150 HydrophobicContact CB-CD2 4.41Å; V146-Y150 PolarHBondContact O-N 2.99Å; V146-L152 HydrophobicContact CB-CD2 4.45Å; V146-L152 HydrophobicContact CG2-CD1 4.14Å; V146-L152 HydrophobicContact CG2-CD2 3.84Å; V146-L243 HydrophobicContact CG1-CD2 3.8Å; V146-L246 HydrophobicContact CG1-CD1 3.79Å
147A97.9Very high97.3Very high17 Ų1720.5 Ų20.514%0.1413%0.127CC..Hα-helixtrans-68.8-14.717200000113.4R86 L143 V145 W149 L152 L176R86-A147 PolarHBondContact NH2-O 2.99Å; L143-A147 WeakPolarHBondContact O-CB 3.2Å; L143-A147 PolarHBondContact O-N 3.35Å; V145-A147 VanDerWaalsContact C-N 3.28Å; V145-A147 PolarHBondContact O-N 2.8Å; A147-W149 VanDerWaalsContact C-N 3.33Å; A147-L152 HydrophobicContact CB-CD1 3.76Å; A147-L152 HydrophobicContact CB-CG 4.23Å; A147-L176 HydrophobicContact CB-CB 4.2Å; A147-L176 HydrophobicContact CB-CD1 3.83Å; A147-L176 HydrophobicContact CB-CD2 3.87Å; A147-L176 HydrophobicContact CB-CG 4.15Å
148G95.5Very high97.4Very high52 Ų5221.3 Ų21.354%0.53613%0.133SC..Hα-helixtrans-74.3-26.1166.400000112.2R86 V145 V146R86-G148 PolarHBondContact NH2-O 3.23Å; V145-G148 PolarHBondContact O-N 2.99Å; V146-G148 PolarHBondContact O-N 3.13Å
149W96.4Very high97.4Very high26 Ų2623.3 Ų23.310%0.09814%0.144CC..Hα-helixtrans-104.8-35.5-171.1-55.6-21.3000113.8Y68 R86 V145 V146 A147 L243 L246 D247 R250Y68-W149 AromaticContact CD1-CH2 3.59Å; Y68-W149 HydrophobicContact CD1-CH2 3.59Å; Y68-W149 AromaticContact CD1-CZ2 3.69Å; Y68-W149 HydrophobicContact CD1-CZ2 3.69Å; Y68-W149 AromaticContact CE1-CH2 3.45Å; Y68-W149 HydrophobicContact CE1-CH2 3.45Å; Y68-W149 VanDerWaalsContact CE1-CH2 3.45Å; Y68-W149 AromaticContact CE1-CZ2 3.54Å; Y68-W149 HydrophobicContact CE1-CZ2 3.54Å; Y68-W149 HydrophobicContact CG-CH2 4.38Å; R86-W149 WeakPolarHBondContact CG-O 3.21Å; R86-W149 PolarHBondContact NE-O 3.1Å; V145-W149 HydrophobicContact CG1-CD2 4.35Å; V145-W149 HydrophobicContact CG1-CE3 4.29Å; V145-W149 HydrophobicContact CG1-CH2 3.25Å; V145-W149 HydrophobicContact CG1-CZ2 3.3Å; V145-W149 HydrophobicContact CG1-CZ3 3.78Å; V146-W149 HydrophobicContact CG1-CE3 4.15Å; V146-W149 HydrophobicContact CG1-CZ3 4.26Å; V146-W149 PolarHBondContact O-N 3.36Å; A147-W149 VanDerWaalsContact C-N 3.33Å; W149-L243 HydrophobicContact CH2-CB 4.35Å; W149-L243 HydrophobicContact CH2-CD2 4.36Å; W149-L243 HydrophobicContact CZ3-CD2 4.11Å; W149-L243 WeakPolarHBondContact CZ3-O 3.27Å; W149-L246 HydrophobicContact CE3-CB 4.37Å; W149-L246 HydrophobicContact CZ3-CB 4.18Å; W149-D247 HydrophobicContact CE3-CB 4.41Å; W149-D247 HydrophobicContact CH2-CB 3.77Å; W149-D247 HydrophobicContact CZ2-CB 4.17Å; W149-D247 HydrophobicContact CZ3-CB 3.91Å; W149-R250 HydrophobicContact CB-CG 3.97Å; W149-R250 HydrophobicContact CG-CG 4.38Å
150Y98.5Very high97.4Very high2 Ų227.7 Ų27.71%0.00816%0.164CC..SBendtrans-126.3153.9-170.3-64.8-84.2000111.7R86 K87 L89 V146 L208 L246 L249 R250R86-Y150 PolarHBondContact NH2-O 3.48Å; K87-Y150 HydrophobicContact CB-CD1 3.71Å; K87-Y150 HydrophobicContact CB-CE1 3.72Å; K87-Y150 HydrophobicContact CD-CE1 4.27Å; K87-Y150 WeakPolarHBondContact O-CA 3.42Å; L89-Y150 HydrophobicContact CB-CD1 4.09Å; L89-Y150 HydrophobicContact CB-CD2 4.41Å; L89-Y150 HydrophobicContact CB-CG 3.81Å; L89-Y150 HydrophobicContact CD2-CD2 4.34Å; V146-Y150 HydrophobicContact CB-CD2 4.41Å; V146-Y150 PolarHBondContact O-N 2.99Å; Y150-L208 HydrophobicContact CD1-CD2 4.09Å; Y150-L208 HydrophobicContact CE1-CD2 3.7Å; Y150-L246 HydrophobicContact CE2-CB 4.19Å; Y150-L246 WeakPolarHBondContact CE2-O 3.3Å; Y150-L246 PolarHBondContact OH-O 3.28Å; Y150-L249 WeakPolarHBondContact OH-CB 3.42Å; Y150-R250 HydrophobicContact CE2-CG 4.09Å; Y150-R250 PolarHBondContact OH-N 3.4Å
151D98.4Very high97.4Very high63 Ų6328.4 Ų28.434%0.33717%0.17SC..EExtended strand (participates in β ladder)trans-78.7117.8160.2-67.1-26.9000108.3R86 K87 I88 L89R86-D151 WeakPolarHBondContact CD-OD1 3.42Å; R86-D151 IonicContact CZ-OD1 3.72Å; R86-D151 IonicContact NE-OD1 2.98Å; R86-D151 IonicContact NH1-OD1 2.84Å; R86-D151 PolarHBondContact NH1-OD1 2.7Å; K87-D151 PolarHBondContact O-N 3.24Å; I88-D151 VanDerWaalsContact CA-O 3.31Å; I88-D151 WeakPolarHBondContact CA-O 3.4Å; I88-D151 HydrophobicContact CG1-CB 4.16Å; L89-D151 PolarHBondContact N-O 3.38Å
152L98.8Very high97.5Very high9 Ų926.6 Ų26.65%0.04716%0.163CC..EExtended strand (participates in β ladder)trans-86.5138.1-175.1-54.8-171.3000111.3L89 L91 L143 V146 A147 L176 L177L89-L152 HydrophobicContact CB-CD2 4.01Å; L89-L152 HydrophobicContact CD2-CD2 4.13Å; L89-L152 HydrophobicContact CG-CD2 4.39Å; L91-L152 HydrophobicContact CD1-CD1 4.33Å; L91-L152 HydrophobicContact CD1-CD2 4.38Å; L143-L152 HydrophobicContact CD2-CD1 4.06Å; V146-L152 HydrophobicContact CB-CD2 4.45Å; V146-L152 HydrophobicContact CG2-CD1 4.14Å; V146-L152 HydrophobicContact CG2-CD2 3.84Å; A147-L152 HydrophobicContact CB-CD1 3.76Å; A147-L152 HydrophobicContact CB-CG 4.23Å; L152-L176 HydrophobicContact CD1-CB 4.48Å; L152-L177 HydrophobicContact CB-CD2 3.86Å; L152-L177 HydrophobicContact CD1-CD2 3.84Å
153V98.9Very high97.5Very high0 Ų026.5 Ų26.50%016%0.163CC..EExtended strand (participates in β ladder)trans-130.9125.6175.3175.10000108.4I88 L89 V90 L91 R179 Y181 V200I88-V153 HydrophobicContact CG2-CB 4.21Å; I88-V153 HydrophobicContact CG2-CG2 3.53Å; L89-V153 PolarHBondContact O-N 2.89Å; V90-V153 CarbonylContact C-O 3.49Å; V90-V153 VanDerWaalsContact CA-O 3.32Å; V90-V153 WeakPolarHBondContact CA-O 3.23Å; V90-V153 HydrophobicContact CG2-CB 4.23Å; V90-V153 HydrophobicContact CG2-CG1 4.46Å; L91-V153 PolarHBondContact N-O 2.71Å; V153-R179 WeakPolarHBondContact CA-O 3.35Å; V153-R179 HydrophobicContact CB-CB 4.39Å; V153-R179 HydrophobicContact CG1-CB 4.34Å; V153-R179 HydrophobicContact CG2-CB 3.81Å; V153-Y181 HydrophobicContact CG1-CD2 3.57Å; V153-Y181 HydrophobicContact CG1-CE2 3.69Å; V153-V200 HydrophobicContact CB-CG1 4.35Å; V153-V200 HydrophobicContact CG1-CG1 4.05Å; V153-V200 HydrophobicContact CG2-CG1 3.95Å
154I98.9Very high97.5Very high0 Ų027.9 Ų27.90%017%0.172CC..EExtended strand (participates in β ladder)trans-80.2129166.5-64.1-51.5000108.4L91 L93 L97 T156 T167 L177 R179 R180 Y181L91-I154 HydrophobicContact CB-CD1 4.02Å; L91-I154 WeakPolarHBondContact O-CA 3.44Å; L93-I154 HydrophobicContact CD1-CG2 3.92Å; L93-I154 HydrophobicContact CD2-CD1 3.87Å; L93-I154 HydrophobicContact CD2-CG1 4.42Å; L93-I154 HydrophobicContact CD2-CG2 3.92Å; L93-I154 HydrophobicContact CG-CG2 3.75Å; L97-I154 HydrophobicContact CD1-CD1 4.47Å; I154-T156 HydrophobicContact CG2-CG2 4.41Å; I154-T167 HydrophobicContact CG1-CG2 3.7Å; I154-L177 HydrophobicContact CD1-CD1 4.2Å; I154-L177 HydrophobicContact CD1-CD2 3.97Å; I154-L177 HydrophobicContact CG1-CB 4.24Å; I154-L177 HydrophobicContact CG1-CD1 4.38Å; I154-L177 HydrophobicContact CG1-CD2 4.26Å; I154-R179 PolarHBondContact N-O 3.31Å; I154-R180 HydrophobicContact CB-CG 4.37Å; I154-R180 CarbonylContact O-C 3.51Å; I154-R180 WeakPolarHBondContact O-CA 3.5Å; I154-Y181 PolarHBondContact O-N 3.46Å
155F98.8Very high97.5Very high0 Ų026.1 Ų26.10%016%0.162CC..EExtended strand (participates in β ladder)trans-136106.2169.5-161.1163.8000108.9V90 L91 Y181 H185 C186 K195 V200V90-F155 HydrophobicContact CG1-CB 3.34Å; V90-F155 HydrophobicContact CG1-CD1 4.16Å; V90-F155 HydrophobicContact CG1-CG 4.26Å; L91-F155 PolarHBondContact O-N 2.97Å; F155-Y181 CarbonylContact C-O 3.18Å; F155-Y181 VanDerWaalsContact CA-O 3.27Å; F155-Y181 WeakPolarHBondContact CA-O 3.46Å; F155-Y181 HydrophobicContact CD1-CG 4.46Å; F155-Y181 HydrophobicContact CD2-CG 4.43Å; F155-Y181 HydrophobicContact CG-CG 4.38Å; F155-H185 HydrophobicContact CE2-CB 4.31Å; F155-H185 HydrophobicContact CZ-CB 4.5Å; F155-C186 VanDerWaalsContact CE2-SG 3.59Å; F155-K195 HydrophobicContact CB-CD 4.28Å; F155-K195 HydrophobicContact CD1-CB 3.86Å; F155-K195 HydrophobicContact CD1-CD 4.33Å; F155-K195 HydrophobicContact CD1-CG 4.23Å; F155-K195 HydrophobicContact CD2-CB 4.36Å; F155-K195 HydrophobicContact CD2-CD 4.01Å; F155-K195 HydrophobicContact CD2-CG 3.89Å; F155-K195 HydrophobicContact CE1-CB 3.64Å; F155-K195 HydrophobicContact CE1-CG 4.22Å; F155-K195 HydrophobicContact CE2-CB 4.17Å; F155-K195 HydrophobicContact CE2-CG 3.89Å; F155-K195 HydrophobicContact CG-CB 4.23Å; F155-K195 HydrophobicContact CG-CD 3.92Å; F155-K195 HydrophobicContact CG-CG 4.08Å; F155-K195 HydrophobicContact CZ-CB 3.82Å; F155-K195 HydrophobicContact CZ-CG 4.06Å; F155-K195 VanDerWaalsContact O-CE 3.23Å; F155-K195 WeakPolarHBondContact O-CE 3.35Å; F155-K195 PolarHBondContact O-NZ 2.97Å; F155-V200 HydrophobicContact CD1-CG2 3.91Å; F155-V200 HydrophobicContact CE1-CG2 4.05Å
156T98.6Very high97.6Very high1 Ų124.9 Ų24.91%0.00615%0.154CC..  trans-123.9148.5-176.9179.80000111.7L93 I154 S158 Y181 Y182 R183L93-T156 HydrophobicContact CD1-CG2 3.91Å; L93-T156 HydrophobicContact CG-CG2 4.34Å; I154-T156 HydrophobicContact CG2-CG2 4.41Å; T156-S158 PolarHBondContact O-N 2.98Å; T156-S158 WeakPolarHBondContact OG1-CB 3.15Å; T156-S158 PolarHBondContact OG1-N 2.84Å; T156-S158 VanDerWaalsContact OG1-N 3.13Å; T156-Y181 PolarHBondContact N-O 3.46Å; T156-Y182 HydrophobicContact CG2-CD1 3.8Å; T156-Y182 HydrophobicContact CG2-CE1 4.49Å; T156-Y182 CarbonylContact O-C 3.53Å; T156-Y182 VanDerWaalsContact O-CA 3.3Å; T156-Y182 WeakPolarHBondContact O-CA 3.39Å; T156-R183 PolarHBondContact O-N 2.8Å
157A97.6Very high97.7Very high29 Ų2924.9 Ų24.924%0.2415%0.154CC..SBendtrans-806.5170.300000113.2R183 Y193A157-R183 WeakPolarHBondContact O-CB 3.3Å; A157-R183 VanDerWaalsContact O-CZ 3.31Å; A157-R183 PolarHBondContact O-NE 3.01Å; A157-R183 PolarHBondContact O-NH2 2.73Å; A157-Y193 HydrophobicContact CB-CD2 4.04Å; A157-Y193 HydrophobicContact CB-CG 4.08Å
158S96.4Very high97.7Very high20 Ų2028.1 Ų28.114%0.1417%0.169CC..SBendtrans-85.5159.6179.2-790000113.7D94 T156 R183D94-S158 WeakPolarHBondContact OD2-CB 3.28Å; D94-S158 PolarHBondContact OD2-OG 3.29Å; T156-S158 PolarHBondContact O-N 2.98Å; T156-S158 WeakPolarHBondContact OG1-CB 3.15Å; T156-S158 PolarHBondContact OG1-N 2.84Å; T156-S158 VanDerWaalsContact OG1-N 3.13Å; S158-R183 WeakPolarHBondContact O-CB 3.48Å; S158-R183 PolarHBondContact O-N 2.95Å
159M95.7Very high97.8Very high73 Ų7331 Ų3136%0.3617%0.167SC..  trans-60.4140.7176-63.1-177.867.200110.4I124 V161 Y162 G163I124-M159 HydrophobicContact CG2-CE 4.27Å; I124-M159 HydrophobicContact CG2-SD 4.37Å; M159-V161 VanDerWaalsContact C-N 3.32Å; M159-V161 PolarHBondContact O-N 3.44Å; M159-Y162 PolarHBondContact O-N 3.23Å; M159-Y162 VanDerWaalsContact O-N 3.12Å; M159-G163 PolarHBondContact O-N 3.2Å
160E97.6Very high97.9Very high93 Ų9329.8 Ų29.844%0.43516%0.162SC..Hα-helixtrans-54.3-44.3179.1172.7162.4-16000113.5Y162 G163 S164 Y182 Q184E160-Y162 PolarHBondContact O-N 3.28Å; E160-G163 PolarHBondContact O-N 2.95Å; E160-S164 WeakPolarHBondContact O-CB 3.45Å; E160-S164 PolarHBondContact O-N 3.09Å; E160-S164 PolarHBondContact O-OG 2.87Å; E160-Y182 HydrophobicContact CB-CD1 4.36Å; E160-Y182 HydrophobicContact CB-CD2 3.53Å; E160-Y182 HydrophobicContact CB-CE2 4.07Å; E160-Y182 HydrophobicContact CB-CG 3.68Å; E160-Y182 HydrophobicContact CG-CD2 3.45Å; E160-Y182 VanDerWaalsContact CG-CD2 3.45Å; E160-Y182 HydrophobicContact CG-CE2 3.49Å; E160-Y182 VanDerWaalsContact CG-CE2 3.49Å; E160-Y182 HydrophobicContact CG-CG 4.08Å; E160-Q184 PolarHBondContact OE2-NE2 2.84Å
161V96.4Very high97.9Very high74 Ų7430 Ų3045%0.44816%0.163SC..Hα-helixtrans-56.6-38-179.1-177.10000111.9V122 M159 S164V122-V161 HydrophobicContact CB-CG1 4.03Å; V122-V161 HydrophobicContact CG1-CG1 4.31Å; M159-V161 VanDerWaalsContact C-N 3.32Å; M159-V161 PolarHBondContact O-N 3.44Å; V161-S164 PolarHBondContact O-OG 2.96Å
162Y96.4Very high97.8Very high12 Ų1233.2 Ų33.25%0.04718%0.181CC..Hα-helixtrans-82-49.9176165.2-95.8000111.7D94 I98 S100 F131 M159 E160 S164 A165 V166D94-Y162 WeakPolarHBondContact OD1-CE1 3.34Å; D94-Y162 PolarHBondContact OD1-OH 2.71Å; D94-Y162 WeakPolarHBondContact OD2-CE1 3.33Å; I98-Y162 VanDerWaalsContact CD1-OH 3.28Å; I98-Y162 WeakPolarHBondContact CD1-OH 3.48Å; S100-Y162 VanDerWaalsContact CB-OH 3.28Å; S100-Y162 WeakPolarHBondContact CB-OH 3.5Å; S100-Y162 PolarHBondContact OG-OH 2.94Å; F131-Y162 HydrophobicContact CB-CE2 4.21Å; F131-Y162 AromaticContact CD1-CD2 3.93Å; F131-Y162 HydrophobicContact CD1-CD2 3.93Å; F131-Y162 AromaticContact CD1-CE2 3.68Å; F131-Y162 HydrophobicContact CD1-CE2 3.68Å; F131-Y162 HydrophobicContact CD2-CD2 4.14Å; F131-Y162 HydrophobicContact CE1-CD2 4.1Å; F131-Y162 HydrophobicContact CE1-CE2 4.17Å; F131-Y162 HydrophobicContact CE2-CD2 4.32Å; F131-Y162 AromaticContact CG-CD2 3.95Å; F131-Y162 HydrophobicContact CG-CD2 3.95Å; F131-Y162 AromaticContact CG-CE2 3.89Å; F131-Y162 HydrophobicContact CG-CE2 3.89Å; F131-Y162 HydrophobicContact CZ-CD2 4.29Å; M159-Y162 PolarHBondContact O-N 3.23Å; M159-Y162 VanDerWaalsContact O-N 3.12Å; E160-Y162 PolarHBondContact O-N 3.28Å; Y162-S164 VanDerWaalsContact C-N 3.33Å; Y162-S164 PolarHBondContact O-N 2.98Å; Y162-A165 PolarHBondContact O-N 3.31Å; Y162-V166 HydrophobicContact CD1-CG2 4.39Å; Y162-V166 HydrophobicContact CD2-CG2 4.05Å; Y162-V166 HydrophobicContact CE1-CG2 3.96Å; Y162-V166 HydrophobicContact CE2-CG2 3.56Å; Y162-V166 HydrophobicContact CG-CG2 4.44Å; Y162-V166 WeakPolarHBondContact O-CG2 3.34Å; Y162-V166 PolarHBondContact O-N 2.82Å
163G97.7Very high97.7Very high0 Ų035.7 Ų35.70%021%0.208CC..Hα-helixtrans-61.7-39.2-17500000112.7M159 E160 T167M159-G163 PolarHBondContact O-N 3.2Å; E160-G163 PolarHBondContact O-N 2.95Å; G163-T167 VanDerWaalsContact O-CB 3.31Å; G163-T167 WeakPolarHBondContact O-CB 3.28Å; G163-T167 PolarHBondContact O-N 3.45Å; G163-T167 PolarHBondContact O-OG1 2.77Å
164S97.9Very high97.7Very high29 Ų2939.2 Ų39.220%0.20322%0.221CC..Hα-helixtrans-62.5-49.7174.358.20000111.6E160 V161 Y162 V166 T167 D168 Y182E160-S164 WeakPolarHBondContact O-CB 3.45Å; E160-S164 PolarHBondContact O-N 3.09Å; E160-S164 PolarHBondContact O-OG 2.87Å; V161-S164 PolarHBondContact O-OG 2.96Å; Y162-S164 VanDerWaalsContact C-N 3.33Å; Y162-S164 PolarHBondContact O-N 2.98Å; S164-V166 VanDerWaalsContact C-N 3.34Å; S164-V166 PolarHBondContact O-N 2.64Å; S164-T167 PolarHBondContact O-N 2.71Å; S164-T167 VanDerWaalsContact O-N 3.11Å; S164-D168 VanDerWaalsContact O-CG 3.3Å; S164-D168 PolarHBondContact O-N 2.85Å; S164-Y182 WeakPolarHBondContact CA-OH 3.36Å; S164-Y182 WeakPolarHBondContact CB-OH 3.3Å
165A97.9Very high97.6Very high23 Ų2344.4 Ų44.419%0.1925%0.249CC..Hα-helixtrans-61.8-38.7179.700000112.8L120 V122 Y162 K169L120-A165 HydrophobicContact CD1-CB 3.97Å; L120-A165 HydrophobicContact CD2-CB 4.24Å; V122-A165 HydrophobicContact CG1-CB 4.31Å; Y162-A165 PolarHBondContact O-N 3.31Å; A165-K169 WeakPolarHBondContact O-CG 3.28Å; A165-K169 PolarHBondContact O-N 2.85Å
166V98.3Very high97.6Very high0 Ų046.9 Ų46.90%026%0.262CS..Hα-helixtrans-65-48172.1172.40000110.7L93 I98 L120 Y162 S164 D168 K169 L170L93-V166 HydrophobicContact CD1-CB 4.43Å; L93-V166 HydrophobicContact CD1-CG1 4.27Å; I98-V166 HydrophobicContact CD1-CG1 4.08Å; I98-V166 HydrophobicContact CG1-CG1 3.87Å; I98-V166 HydrophobicContact CG2-CG1 4.49Å; L120-V166 HydrophobicContact CD1-CB 4.27Å; L120-V166 HydrophobicContact CD1-CG2 3.38Å; Y162-V166 HydrophobicContact CD1-CG2 4.39Å; Y162-V166 HydrophobicContact CD2-CG2 4.05Å; Y162-V166 HydrophobicContact CE1-CG2 3.96Å; Y162-V166 HydrophobicContact CE2-CG2 3.56Å; Y162-V166 HydrophobicContact CG-CG2 4.44Å; Y162-V166 WeakPolarHBondContact O-CG2 3.34Å; Y162-V166 PolarHBondContact O-N 2.82Å; S164-V166 VanDerWaalsContact C-N 3.34Å; S164-V166 PolarHBondContact O-N 2.64Å; V166-D168 VanDerWaalsContact C-N 3.31Å; V166-D168 PolarHBondContact O-N 2.7Å; V166-K169 PolarHBondContact O-N 2.82Å; V166-K169 VanDerWaalsContact O-N 3.14Å; V166-L170 HydrophobicContact CG1-CD1 4.02Å; V166-L170 HydrophobicContact CG1-CG 4.39Å; V166-L170 PolarHBondContact O-N 2.79Å
167T98.6Very high97.5Very high0 Ų046.9 Ų46.90%026%0.262CS..Hα-helixtrans-60-41-178.5-57.50000111.5I154 G163 S164 K169 L170 D171 L177 R180I154-T167 HydrophobicContact CG1-CG2 3.7Å; G163-T167 VanDerWaalsContact O-CB 3.31Å; G163-T167 WeakPolarHBondContact O-CB 3.28Å; G163-T167 PolarHBondContact O-N 3.45Å; G163-T167 PolarHBondContact O-OG1 2.77Å; S164-T167 PolarHBondContact O-N 2.71Å; S164-T167 VanDerWaalsContact O-N 3.11Å; T167-K169 VanDerWaalsContact C-N 3.32Å; T167-K169 PolarHBondContact O-N 2.61Å; T167-L170 PolarHBondContact O-N 3.45Å; T167-D171 WeakPolarHBondContact O-CB 3.28Å; T167-D171 PolarHBondContact O-N 3.45Å; T167-L177 HydrophobicContact CG2-CB 3.64Å; T167-L177 HydrophobicContact CG2-CD1 3.91Å; T167-L177 HydrophobicContact CG2-CG 4.43Å; T167-R180 HydrophobicContact CG2-CG 4.45Å; T167-R180 VanDerWaalsContact CG2-CZ 3.47Å
168D98.3Very high97.5Very high84 Ų8450.3 Ų50.345%0.44928%0.277SS..Hα-helixtrans-63.4-37.8177.4-67.7-23.5000112.4S164 V166 N172 R180S164-D168 VanDerWaalsContact O-CG 3.3Å; S164-D168 PolarHBondContact O-N 2.85Å; V166-D168 VanDerWaalsContact C-N 3.31Å; V166-D168 PolarHBondContact O-N 2.7Å; D168-N172 PolarHBondContact O-N 3.49Å; D168-R180 IonicContact OD1-CZ 3.16Å; D168-R180 IonicContact OD1-NH1 3.5Å; D168-R180 PolarHBondContact OD1-NH1 3.25Å; D168-R180 IonicContact OD1-NH2 2.77Å; D168-R180 PolarHBondContact OD1-NH2 3.18Å; D168-R180 IonicContact OD2-NH1 2.64Å
169K98.2Very high97.6Very high114 Ų11453.8 Ų53.850%0.49629%0.287SS..Hα-helixtrans-68.8-37175-67.8-59.6-177.9-173.20112.7F118 L120 A165 V166 T167F118-K169 HydrophobicContact CD1-CB 4.23Å; F118-K169 HydrophobicContact CD2-CB 4.04Å; F118-K169 HydrophobicContact CD2-CG 3.83Å; F118-K169 HydrophobicContact CE1-CB 3.89Å; F118-K169 HydrophobicContact CE2-CB 3.67Å; F118-K169 HydrophobicContact CE2-CG 3.83Å; F118-K169 HydrophobicContact CG-CB 4.3Å; F118-K169 HydrophobicContact CG-CG 4.26Å; F118-K169 HydrophobicContact CZ-CB 3.6Å; F118-K169 HydrophobicContact CZ-CG 4.28Å; L120-K169 HydrophobicContact CD2-CG 3.84Å; A165-K169 WeakPolarHBondContact O-CG 3.28Å; A165-K169 PolarHBondContact O-N 2.85Å; V166-K169 PolarHBondContact O-N 2.82Å; V166-K169 VanDerWaalsContact O-N 3.14Å; T167-K169 VanDerWaalsContact C-N 3.32Å; T167-K169 PolarHBondContact O-N 2.61Å
170L98.3Very high97.8Very high0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-71.9-41175.3-69.9176.8000112L93 L97 I98 K135 V139 L143 V166 T167 N172 R174 L177L93-L170 HydrophobicContact CD2-CD1 4.05Å; L97-L170 HydrophobicContact CB-CD1 4.47Å; L97-L170 HydrophobicContact CD1-CD1 4.5Å; I98-L170 HydrophobicContact CG2-CD1 3.87Å; I98-L170 HydrophobicContact CG2-CD2 3.78Å; I98-L170 HydrophobicContact CG2-CG 4.24Å; K135-L170 HydrophobicContact CD-CD2 3.97Å; K135-L170 HydrophobicContact CG-CD2 4.08Å; V139-L170 HydrophobicContact CG1-CD2 4.31Å; V139-L170 HydrophobicContact CG2-CD2 4.46Å; L143-L170 HydrophobicContact CD1-CB 4.35Å; V166-L170 HydrophobicContact CG1-CD1 4.02Å; V166-L170 HydrophobicContact CG1-CG 4.39Å; V166-L170 PolarHBondContact O-N 2.79Å; T167-L170 PolarHBondContact O-N 3.45Å; L170-N172 VanDerWaalsContact C-N 3.33Å; L170-R174 PolarHBondContact O-NH2 3.19Å; L170-L177 HydrophobicContact CB-CD1 4.18Å
171D98.2Very high97.8Very high6 Ų650.7 Ų50.73%0.03227%0.267CS..Hα-helixtrans-65.1-40.6178.5-172.573.8000111.1T167 G173 R174 N175 L176 L177T167-D171 WeakPolarHBondContact O-CB 3.28Å; T167-D171 PolarHBondContact O-N 3.45Å; D171-G173 PolarHBondContact O-N 3.41Å; D171-G173 PolarHBondContact OD2-N 3.38Å; D171-R174 VanDerWaalsContact O-CB 3.3Å; D171-R174 WeakPolarHBondContact O-CB 3.36Å; D171-R174 VanDerWaalsContact O-CG 3.27Å; D171-R174 WeakPolarHBondContact O-CG 3.45Å; D171-R174 PolarHBondContact O-N 3.16Å; D171-R174 PolarHBondContact O-NE 3.44Å; D171-R174 PolarHBondContact OD2-N 2.81Å; D171-R174 VanDerWaalsContact OD2-N 3.08Å; D171-N175 PolarHBondContact OD1-N 2.83Å; D171-N175 PolarHBondContact OD2-N 3.04Å; D171-L176 WeakPolarHBondContact OD1-CA 3.24Å; D171-L176 PolarHBondContact OD1-N 3.11Å; D171-L177 HydrophobicContact CB-CB 4.25Å; D171-L177 HydrophobicContact CB-CD1 4.19Å; D171-L177 HydrophobicContact CB-CG 4.35Å; D171-L177 PolarHBondContact OD1-N 3.09Å
172N96.9Very high97.9Very high131 Ų13147.7 Ų47.770%0.70125%0.248SC*.THydrogen-bonded Turntrans53.939.5178.1-168.546.6000112.6D168 L170 R174D168-N172 PolarHBondContact O-N 3.49Å; L170-N172 VanDerWaalsContact C-N 3.33Å; N172-R174 VanDerWaalsContact C-N 3.26Å; N172-R174 PolarHBondContact O-N 3.38Å
173G96.8Very high98Very high61 Ų6151.2 Ų51.263%0.62926%0.261SS*.THydrogen-bonded Turntrans73.612.3177.100000114.8D171 N175D171-G173 PolarHBondContact O-N 3.41Å; D171-G173 PolarHBondContact OD2-N 3.38Å; G173-N175 VanDerWaalsContact C-N 3.26Å
174R97.6Very high98Very high73 Ų7356.1 Ų56.128%0.27528%0.284SS..SBendtrans-78-12.5177.5-63.8178.6-71173.6-4.4112.6D140 S144 L170 D171 N172 L176D140-R174 PolarHBondContact O-NH1 3.29Å; S144-R174 PolarHBondContact OG-NH1 3.06Å; L170-R174 PolarHBondContact O-NH2 3.19Å; D171-R174 VanDerWaalsContact O-CB 3.3Å; D171-R174 WeakPolarHBondContact O-CB 3.36Å; D171-R174 VanDerWaalsContact O-CG 3.27Å; D171-R174 WeakPolarHBondContact O-CG 3.45Å; D171-R174 PolarHBondContact O-N 3.16Å; D171-R174 PolarHBondContact O-NE 3.44Å; D171-R174 PolarHBondContact OD2-N 2.81Å; D171-R174 VanDerWaalsContact OD2-N 3.08Å; N172-R174 VanDerWaalsContact C-N 3.26Å; N172-R174 PolarHBondContact O-N 3.38Å; R174-L176 VanDerWaalsContact C-N 3.26Å; R174-L176 HydrophobicContact CB-CD1 3.82Å; R174-L176 HydrophobicContact CB-CD2 4.28Å; R174-L176 HydrophobicContact CB-CG 3.61Å; R174-L176 PolarHBondContact O-N 3.33Å
175N97.4Very high98Very high110 Ų11058.4 Ų58.459%0.58829%0.291SS*.  trans57.435.8-178.8-59.1-50.1000113.1D171 G173 N178D171-N175 PolarHBondContact OD1-N 2.83Å; D171-N175 PolarHBondContact OD2-N 3.04Å; G173-N175 VanDerWaalsContact C-N 3.26Å; N175-N178 PolarHBondContact O-ND2 2.91Å
176L97.9Very high98Very high51 Ų5158 Ų5827%0.26729%0.287SS..  trans-90.6-30.9178.4-50177.5000111.2A147 L152 D171 R174A147-L176 HydrophobicContact CB-CB 4.2Å; A147-L176 HydrophobicContact CB-CD1 3.83Å; A147-L176 HydrophobicContact CB-CD2 3.87Å; A147-L176 HydrophobicContact CB-CG 4.15Å; L152-L176 HydrophobicContact CD1-CB 4.48Å; D171-L176 WeakPolarHBondContact OD1-CA 3.24Å; D171-L176 PolarHBondContact OD1-N 3.11Å; R174-L176 VanDerWaalsContact C-N 3.26Å; R174-L176 HydrophobicContact CB-CD1 3.82Å; R174-L176 HydrophobicContact CB-CD2 4.28Å; R174-L176 HydrophobicContact CB-CG 3.61Å; R174-L176 PolarHBondContact O-N 3.33Å
177L98.4Very high97.9Very high1 Ų161.6 Ų61.61%0.00531%0.309CS..  trans-108.347.6-170-56.9179.8000112.8L143 L152 I154 T167 L170 D171 R180L143-L177 HydrophobicContact CD1-CD1 4.22Å; L143-L177 HydrophobicContact CD2-CD2 4.2Å; L152-L177 HydrophobicContact CB-CD2 3.86Å; L152-L177 HydrophobicContact CD1-CD2 3.84Å; I154-L177 HydrophobicContact CD1-CD1 4.2Å; I154-L177 HydrophobicContact CD1-CD2 3.97Å; I154-L177 HydrophobicContact CG1-CB 4.24Å; I154-L177 HydrophobicContact CG1-CD1 4.38Å; I154-L177 HydrophobicContact CG1-CD2 4.26Å; T167-L177 HydrophobicContact CG2-CB 3.64Å; T167-L177 HydrophobicContact CG2-CD1 3.91Å; T167-L177 HydrophobicContact CG2-CG 4.43Å; L170-L177 HydrophobicContact CB-CD1 4.18Å; D171-L177 HydrophobicContact CB-CB 4.25Å; D171-L177 HydrophobicContact CB-CD1 4.19Å; D171-L177 HydrophobicContact CB-CG 4.35Å; D171-L177 PolarHBondContact OD1-N 3.09Å; L177-R180 WeakPolarHBondContact O-CG 2.95Å; L177-R180 PolarHBondContact O-NE 3.46Å; L177-R180 PolarHBondContact O-NH2 3.45Å
178N97.3Very high97.6Very high102 Ų10266.5 Ų66.555%0.54533%0.333SS..  trans-80.8-27.3-172.8-58.8-37000114N175N175-N178 PolarHBondContact O-ND2 2.91Å
179R98.6Very high97Very high93 Ų9365.1 Ų65.135%0.35133%0.326SS..EExtended strand (participates in β ladder)trans-91.7119.8178.5-66.318071.7-156.71.5109.2V153 I154 V200V153-R179 WeakPolarHBondContact CA-O 3.35Å; V153-R179 HydrophobicContact CB-CB 4.39Å; V153-R179 HydrophobicContact CG1-CB 4.34Å; V153-R179 HydrophobicContact CG2-CB 3.81Å; I154-R179 PolarHBondContact N-O 3.31Å; R179-V200 PolarHBondContact NH2-O 3.35Å
180R98.6Very high96.5Very high56 Ų5669.8 Ų69.821%0.21134%0.342CS..EExtended strand (participates in β ladder)trans-139.8132.3-168.8-51.6-179.9-173.5-177.3-6.6111.2I154 T167 D168 L177 Y182I154-R180 HydrophobicContact CB-CG 4.37Å; I154-R180 CarbonylContact O-C 3.51Å; I154-R180 WeakPolarHBondContact O-CA 3.5Å; T167-R180 HydrophobicContact CG2-CG 4.45Å; T167-R180 VanDerWaalsContact CG2-CZ 3.47Å; D168-R180 IonicContact OD1-CZ 3.16Å; D168-R180 IonicContact OD1-NH1 3.5Å; D168-R180 PolarHBondContact OD1-NH1 3.25Å; D168-R180 IonicContact OD1-NH2 2.77Å; D168-R180 PolarHBondContact OD1-NH2 3.18Å; D168-R180 IonicContact OD2-NH1 2.64Å; L177-R180 WeakPolarHBondContact O-CG 2.95Å; L177-R180 PolarHBondContact O-NE 3.46Å; L177-R180 PolarHBondContact O-NH2 3.45Å; R180-Y182 HydrophobicContact CB-CE1 4.27Å; R180-Y182 HydrophobicContact CB-CE2 4.06Å; R180-Y182 WeakPolarHBondContact CB-OH 3.27Å; R180-Y182 WeakPolarHBondContact CD-OH 3.31Å
181Y98.8Very high96.1Very high44 Ų4473 Ų7317%0.17338%0.375CS..EExtended strand (participates in β ladder)trans-126.6124.6176.1-64.1-99.7000108.5V153 I154 F155 T156 H185 T199 V200V153-Y181 HydrophobicContact CG1-CD2 3.57Å; V153-Y181 HydrophobicContact CG1-CE2 3.69Å; I154-Y181 PolarHBondContact O-N 3.46Å; F155-Y181 CarbonylContact C-O 3.18Å; F155-Y181 VanDerWaalsContact CA-O 3.27Å; F155-Y181 WeakPolarHBondContact CA-O 3.46Å; F155-Y181 HydrophobicContact CD1-CG 4.46Å; F155-Y181 HydrophobicContact CD2-CG 4.43Å; F155-Y181 HydrophobicContact CG-CG 4.38Å; T156-Y181 PolarHBondContact N-O 3.46Å; Y181-H185 HydrophobicContact CD1-CB 3.89Å; Y181-H185 AromaticContact CD1-CG 3.91Å; Y181-T199 PolarHBondContact OH-O 3.04Å; Y181-V200 HydrophobicContact CD2-CG2 4.2Å; Y181-V200 HydrophobicContact CE2-CG1 4.46Å; Y181-V200 HydrophobicContact CE2-CG2 3.9Å
182Y98.5Very high95.8Very high11 Ų1175 Ų754%0.04339%0.389CS..  trans-108.7-175.6179.3-50.7-67.8000112T156 E160 S164 R180 Q184 H185T156-Y182 HydrophobicContact CG2-CD1 3.8Å; T156-Y182 HydrophobicContact CG2-CE1 4.49Å; T156-Y182 CarbonylContact O-C 3.53Å; T156-Y182 VanDerWaalsContact O-CA 3.3Å; T156-Y182 WeakPolarHBondContact O-CA 3.39Å; E160-Y182 HydrophobicContact CB-CD1 4.36Å; E160-Y182 HydrophobicContact CB-CD2 3.53Å; E160-Y182 HydrophobicContact CB-CE2 4.07Å; E160-Y182 HydrophobicContact CB-CG 3.68Å; E160-Y182 HydrophobicContact CG-CD2 3.45Å; E160-Y182 VanDerWaalsContact CG-CD2 3.45Å; E160-Y182 HydrophobicContact CG-CE2 3.49Å; E160-Y182 VanDerWaalsContact CG-CE2 3.49Å; E160-Y182 HydrophobicContact CG-CG 4.08Å; S164-Y182 WeakPolarHBondContact CA-OH 3.36Å; S164-Y182 WeakPolarHBondContact CB-OH 3.3Å; R180-Y182 HydrophobicContact CB-CE1 4.27Å; R180-Y182 HydrophobicContact CB-CE2 4.06Å; R180-Y182 WeakPolarHBondContact CB-OH 3.27Å; R180-Y182 WeakPolarHBondContact CD-OH 3.31Å; Y182-Q184 VanDerWaalsContact CB-OE1 3.31Å; Y182-Q184 PolarHBondContact O-N 3.2Å; Y182-H185 PolarHBondContact N-ND1 3.31Å; Y182-H185 WeakPolarHBondContact O-CB 3.37Å; Y182-H185 PolarHBondContact O-N 3.15Å; Y182-H185 PolarHBondContact O-ND1 2.92Å
183R97.8Very high95.8Very high87 Ų8772.3 Ų72.333%0.32837%0.37SS..G310 helixtrans-44.2-42.2-179.7-176.7175.4-68.7155.86.8115.1T156 A157 S158 H185 C186 Y193T156-R183 PolarHBondContact O-N 2.8Å; A157-R183 WeakPolarHBondContact O-CB 3.3Å; A157-R183 VanDerWaalsContact O-CZ 3.31Å; A157-R183 PolarHBondContact O-NE 3.01Å; A157-R183 PolarHBondContact O-NH2 2.73Å; S158-R183 WeakPolarHBondContact O-CB 3.48Å; S158-R183 PolarHBondContact O-N 2.95Å; R183-H185 PolarHBondContact O-N 3.47Å; R183-C186 WeakPolarHBondContact O-CB 3.4Å; R183-C186 PolarHBondContact O-N 3.3Å; R183-Y193 WeakPolarHBondContact CD-OH 3.18Å; R183-Y193 HydrophobicContact CG-CD1 4.28Å; R183-Y193 HydrophobicContact CG-CE1 3.6Å; R183-Y193 HydrophobicContact CG-CE2 4.28Å
184Q97.2Very high95.8Very high102 Ų10269.6 Ų69.648%0.47734%0.341SS..G310 helixtrans-66.6-15.1-178.569.8-87.116.900114E160 Y182E160-Q184 PolarHBondContact OE2-NE2 2.84Å; Y182-Q184 VanDerWaalsContact CB-OE1 3.31Å; Y182-Q184 PolarHBondContact O-N 3.2Å
185H98.1Very high95.8Very high77 Ų7766.3 Ų66.336%0.35633%0.329SS..G310 helixtrans-97.1-6.3175-4596.6000112.5F155 Y181 Y182 R183F155-H185 HydrophobicContact CE2-CB 4.31Å; F155-H185 HydrophobicContact CZ-CB 4.5Å; Y181-H185 HydrophobicContact CD1-CB 3.89Å; Y181-H185 AromaticContact CD1-CG 3.91Å; Y182-H185 PolarHBondContact N-ND1 3.31Å; Y182-H185 WeakPolarHBondContact O-CB 3.37Å; Y182-H185 PolarHBondContact O-N 3.15Å; Y182-H185 PolarHBondContact O-ND1 2.92Å; R183-H185 PolarHBondContact O-N 3.47Å
186C97.7Very high95.8Very high15 Ų1563 Ų6310%0.10131%0.311CS..SBendtrans-79.4152.6171.8-63.20000110.3F155 R183 Y193 T194F155-C186 VanDerWaalsContact CE2-SG 3.59Å; R183-C186 WeakPolarHBondContact O-CB 3.4Å; R183-C186 PolarHBondContact O-N 3.3Å; C186-Y193 HydrophobicContact CB-CD1 3.65Å; C186-Y193 HydrophobicContact CB-CG 4.16Å; C186-T194 WeakPolarHBondContact CA-O 3.47Å; C186-T194 WeakPolarHBondContact CB-O 3.03Å
187T96Very high95.8Very high75 Ų7560.6 Ų60.646%0.4630%0.299SS..EExtended strand (participates in β ladder)trans-93.8121.3168.9-60.80000108.8D189 T194T187-D189 PolarHBondContact O-N 2.88Å; T187-T194 WeakPolarHBondContact CB-OG1 3.26Å; T187-T194 PolarHBondContact N-O 3.44Å; T187-T194 PolarHBondContact O-N 2.69Å; T187-T194 PolarHBondContact O-OG1 3.06Å
188M93.8Very high95.7Very high104 Ų10462.9 Ų62.951%0.51232%0.317SS..EExtended strand (participates in β ladder)trans-76.2116.6172.8-177.675.187.100109.2S192 Y193M188-S192 WeakPolarHBondContact CA-O 3.45Å; M188-Y193 HydrophobicContact CB-CE1 4.43Å; M188-Y193 HydrophobicContact CE-CD1 4.35Å; M188-Y193 HydrophobicContact CE-CE1 3.53Å; M188-Y193 HydrophobicContact CE-CE2 3.92Å; M188-Y193 WeakPolarHBondContact CE-OH 3.32Å; M188-Y193 HydrophobicContact SD-CD1 4.28Å; M188-Y193 HydrophobicContact SD-CE1 4.03Å; M188-Y193 HydrophobicContact SD-CE2 4.42Å
189D86Confident95.7Very high55 Ų5561.4 Ų61.429%0.29431%0.312SS..EExtended strand (participates in β ladder)trans-130.8121.8178.3-174.236.2000109.9T187 G191 S192 T194 R218T187-D189 PolarHBondContact O-N 2.88Å; D189-G191 PolarHBondContact O-N 3.31Å; D189-G191 VanDerWaalsContact O-N 3.1Å; D189-S192 PolarHBondContact N-O 3.43Å; D189-S192 PolarHBondContact O-N 2.98Å; D189-S192 VanDerWaalsContact O-O 3.12Å; D189-T194 HydrophobicContact CB-CG2 4.22Å; D189-R218 IonicContact OD2-NH1 3.76Å
190Y86.5Confident95.7Very high211 Ų21157.3 Ų57.383%0.82730%0.297SS*.THydrogen-bonded Turntrans44.642.1-177.1-58.8-77.7000115.1S192Y190-S192 VanDerWaalsContact C-N 3.31Å; Y190-S192 PolarHBondContact O-N 3.41Å
191G89.5Confident95.7Very high67 Ų6755.1 Ų55.169%0.69129%0.291SS*.THydrogen-bonded Turntrans79.77.6178.500000115D189D189-G191 PolarHBondContact O-N 3.31Å; D189-G191 VanDerWaalsContact O-N 3.1Å
192S91.6Very high95.6Very high49 Ų4958.6 Ų58.634%0.34332%0.321SS..EExtended strand (participates in β ladder)trans-121.5154.3175-60.80000111.5M188 D189 Y190M188-S192 WeakPolarHBondContact CA-O 3.45Å; D189-S192 PolarHBondContact N-O 3.43Å; D189-S192 PolarHBondContact O-N 2.98Å; D189-S192 VanDerWaalsContact O-O 3.12Å; Y190-S192 VanDerWaalsContact C-N 3.31Å; Y190-S192 PolarHBondContact O-N 3.41Å
193Y96.7Very high95.5Very high75 Ų7561.2 Ų61.229%0.29434%0.336SS..EExtended strand (participates in β ladder)trans-93.2126.4176.9-68.4-75.1000110.8A157 R183 C186 M188A157-Y193 HydrophobicContact CB-CD2 4.04Å; A157-Y193 HydrophobicContact CB-CG 4.08Å; R183-Y193 WeakPolarHBondContact CD-OH 3.18Å; R183-Y193 HydrophobicContact CG-CD1 4.28Å; R183-Y193 HydrophobicContact CG-CE1 3.6Å; R183-Y193 HydrophobicContact CG-CE2 4.28Å; C186-Y193 HydrophobicContact CB-CD1 3.65Å; C186-Y193 HydrophobicContact CB-CG 4.16Å; M188-Y193 HydrophobicContact CB-CE1 4.43Å; M188-Y193 HydrophobicContact CE-CD1 4.35Å; M188-Y193 HydrophobicContact CE-CE1 3.53Å; M188-Y193 HydrophobicContact CE-CE2 3.92Å; M188-Y193 WeakPolarHBondContact CE-OH 3.32Å; M188-Y193 HydrophobicContact SD-CD1 4.28Å; M188-Y193 HydrophobicContact SD-CE1 4.03Å; M188-Y193 HydrophobicContact SD-CE2 4.42Å
194T96.9Very high95.5Very high4 Ų459 Ų593%0.02533%0.331CS..EExtended strand (participates in β ladder)trans-106.9146.9172.161.90000109.9C186 T187 D189C186-T194 WeakPolarHBondContact CA-O 3.47Å; C186-T194 WeakPolarHBondContact CB-O 3.03Å; T187-T194 WeakPolarHBondContact CB-OG1 3.26Å; T187-T194 PolarHBondContact N-O 3.44Å; T187-T194 PolarHBondContact O-N 2.69Å; T187-T194 PolarHBondContact O-OG1 3.06Å; D189-T194 HydrophobicContact CB-CG2 4.22Å
195K97.8Very high95.5Very high4 Ų454.2 Ų54.22%0.01731%0.309CS..  trans-108.6107.3-176.7-63.8177.3-174.8175.70108.7D92 F155 L197 I209 D211 A216D92-K195 IonicContact OD1-NZ 3.88Å; D92-K195 PolarHBondContact OD1-NZ 3.17Å; F155-K195 HydrophobicContact CB-CD 4.28Å; F155-K195 HydrophobicContact CD1-CB 3.86Å; F155-K195 HydrophobicContact CD1-CD 4.33Å; F155-K195 HydrophobicContact CD1-CG 4.23Å; F155-K195 HydrophobicContact CD2-CB 4.36Å; F155-K195 HydrophobicContact CD2-CD 4.01Å; F155-K195 HydrophobicContact CD2-CG 3.89Å; F155-K195 HydrophobicContact CE1-CB 3.64Å; F155-K195 HydrophobicContact CE1-CG 4.22Å; F155-K195 HydrophobicContact CE2-CB 4.17Å; F155-K195 HydrophobicContact CE2-CG 3.89Å; F155-K195 HydrophobicContact CG-CB 4.23Å; F155-K195 HydrophobicContact CG-CD 3.92Å; F155-K195 HydrophobicContact CG-CG 4.08Å; F155-K195 HydrophobicContact CZ-CB 3.82Å; F155-K195 HydrophobicContact CZ-CG 4.06Å; F155-K195 VanDerWaalsContact O-CE 3.23Å; F155-K195 WeakPolarHBondContact O-CE 3.35Å; F155-K195 PolarHBondContact O-NZ 2.97Å; K195-L197 PolarHBondContact O-N 2.94Å; K195-I209 HydrophobicContact CB-CD1 4.32Å; K195-I209 HydrophobicContact CD-CD1 3.75Å; K195-D211 WeakPolarHBondContact CE-OD2 3.25Å; K195-D211 IonicContact NZ-OD2 3.93Å; K195-D211 PolarHBondContact NZ-OD2 3.4Å; K195-A216 WeakPolarHBondContact CB-O 3.31Å; K195-A216 HydrophobicContact CD-CB 4.06Å; K195-A216 HydrophobicContact CG-CB 4.35Å; K195-A216 PolarHBondContact N-O 3.43Å
196D97.3Very high95.5Very high41 Ų4151 Ų5122%0.21930%0.295CS..  trans-76.9104.7179.1-175.3-22000110.6A198 T199 Y220D196-A198 VanDerWaalsContact C-N 3.27Å; D196-A198 PolarHBondContact O-N 3.4Å; D196-A198 WeakPolarHBondContact OD1-CA 3.29Å; D196-A198 VanDerWaalsContact OD1-CB 3.23Å; D196-A198 WeakPolarHBondContact OD1-CB 3.16Å; D196-A198 PolarHBondContact OD1-N 3.47Å; D196-T199 HydrophobicContact CB-CG2 3.88Å; D196-T199 PolarHBondContact O-N 3.07Å; D196-T199 PolarHBondContact O-OG1 3.02Å; D196-Y220 PolarHBondContact OD1-OH 2.84Å
197L98.2Very high95.5Very high0 Ų050.3 Ų50.30%029%0.29CS..G310 helixtrans-69.2-23-179.7-63-170.9000113.4V90 K195 T199 V200 C201 L204 V207 I209 Y220 N223V90-L197 HydrophobicContact CG2-CD2 4.19Å; K195-L197 PolarHBondContact O-N 2.94Å; L197-T199 PolarHBondContact O-N 3.19Å; L197-V200 WeakPolarHBondContact O-CB 3.44Å; L197-V200 PolarHBondContact O-N 2.85Å; L197-C201 PolarHBondContact O-N 3.39Å; L197-L204 HydrophobicContact CB-CD2 4.12Å; L197-V207 HydrophobicContact CB-CG1 4.39Å; L197-I209 HydrophobicContact CD1-CB 4.34Å; L197-I209 HydrophobicContact CD1-CG2 3.99Å; L197-I209 HydrophobicContact CD2-CB 4.13Å; L197-I209 HydrophobicContact CD2-CD1 4.15Å; L197-I209 HydrophobicContact CD2-CG2 4.44Å; L197-Y220 HydrophobicContact CB-CD1 4.22Å; L197-Y220 HydrophobicContact CB-CD2 3.87Å; L197-Y220 HydrophobicContact CB-CE1 4.38Å; L197-Y220 HydrophobicContact CB-CE2 4.1Å; L197-Y220 HydrophobicContact CB-CG 3.97Å; L197-Y220 HydrophobicContact CD1-CD2 4.2Å; L197-Y220 HydrophobicContact CD1-CG 3.87Å; L197-Y220 HydrophobicContact CG-CD2 3.71Å; L197-Y220 HydrophobicContact CG-CE2 4.36Å; L197-Y220 HydrophobicContact CG-CG 3.87Å; L197-N223 HydrophobicContact CD1-CB 3.59Å
198A97.7Very high95.6Very high48 Ų4846.7 Ų46.740%0.39727%0.268SS..G310 helixtrans-66.7-24.117700000111.7D196 V200D196-A198 VanDerWaalsContact C-N 3.27Å; D196-A198 PolarHBondContact O-N 3.4Å; D196-A198 WeakPolarHBondContact OD1-CA 3.29Å; D196-A198 VanDerWaalsContact OD1-CB 3.23Å; D196-A198 WeakPolarHBondContact OD1-CB 3.16Å; D196-A198 PolarHBondContact OD1-N 3.47Å; A198-V200 VanDerWaalsContact C-N 3.3Å
199T97.1Very high95.9Very high71 Ų7141.8 Ų41.844%0.43624%0.244SC..G310 helixtrans-69.8-27.5171.270.30000112.8Y181 D196 L197Y181-T199 PolarHBondContact OH-O 3.04Å; D196-T199 HydrophobicContact CB-CG2 3.88Å; D196-T199 PolarHBondContact O-N 3.07Å; D196-T199 PolarHBondContact O-OG1 3.02Å; L197-T199 PolarHBondContact O-N 3.19Å
200V98.1Very high96.5Very high7 Ų739.2 Ų39.24%0.04223%0.23CC..THydrogen-bonded Turntrans-86.2-41.3-179.7-178.60000111.4I88 V90 V153 F155 R179 Y181 L197 A198I88-V200 HydrophobicContact CG2-CG1 3.96Å; V90-V200 HydrophobicContact CG2-CG1 4Å; V90-V200 HydrophobicContact CG2-CG2 4.5Å; V153-V200 HydrophobicContact CB-CG1 4.35Å; V153-V200 HydrophobicContact CG1-CG1 4.05Å; V153-V200 HydrophobicContact CG2-CG1 3.95Å; F155-V200 HydrophobicContact CD1-CG2 3.91Å; F155-V200 HydrophobicContact CE1-CG2 4.05Å; R179-V200 PolarHBondContact NH2-O 3.35Å; Y181-V200 HydrophobicContact CD2-CG2 4.2Å; Y181-V200 HydrophobicContact CE2-CG1 4.46Å; Y181-V200 HydrophobicContact CE2-CG2 3.9Å; L197-V200 WeakPolarHBondContact O-CB 3.44Å; L197-V200 PolarHBondContact O-N 2.85Å; A198-V200 VanDerWaalsContact C-N 3.3Å
201C97.7Very high97Very high10 Ų1029.2 Ų29.27%0.06819%0.191CC..  trans-152.9126.2-179.3-172.30000110.6I88 L197 D203 V207I88-C201 HydrophobicContact CD1-CB 3.73Å; L197-C201 PolarHBondContact O-N 3.39Å; C201-D203 VanDerWaalsContact C-N 3.27Å; C201-D203 PolarHBondContact O-N 3.23Å; C201-D203 PolarHBondContact SG-O 2.91Å; C201-V207 HydrophobicContact CB-CB 3.9Å; C201-V207 HydrophobicContact CB-CG1 3.97Å; C201-V207 HydrophobicContact CB-CG2 4.47Å
202S96.5Very high97.4Very high117 Ų11727.1 Ų27.182%0.81816%0.164SC*.SBendtrans-66.8-29.4175.958.80000113.1L204S202-L204 PolarHBondContact O-N 3.39Å
203D97.2Very high97.6Very high67 Ų6727 Ų2736%0.35816%0.163SC..  trans-88.898.6174175.319.5000110.3C201 G205 S206C201-D203 VanDerWaalsContact C-N 3.27Å; C201-D203 PolarHBondContact O-N 3.23Å; C201-D203 PolarHBondContact SG-O 2.91Å; D203-G205 PolarHBondContact O-N 3.35Å; D203-G205 PolarHBondContact OD1-N 3Å; D203-S206 PolarHBondContact O-N 2.83Å; D203-S206 VanDerWaalsContact O-N 3.1Å; D203-S206 VanDerWaalsContact OD2-CB 3.25Å; D203-S206 WeakPolarHBondContact OD2-CB 3.5Å; D203-S206 PolarHBondContact OD2-OG 3.36Å
204L97.9Very high97.5Very high40 Ų4027 Ų2721%0.20917%0.172CC..G310 helixtrans-66.3-16.8177.5-64.2177.8000113.2L197 S202 S206 V207 Y220 N223L197-L204 HydrophobicContact CB-CD2 4.12Å; S202-L204 PolarHBondContact O-N 3.39Å; L204-S206 PolarHBondContact O-N 3.29Å; L204-V207 HydrophobicContact CD2-CG1 4.08Å; L204-Y220 HydrophobicContact CD1-CD1 3.99Å; L204-Y220 HydrophobicContact CD1-CE1 3.76Å; L204-Y220 HydrophobicContact CD2-CD1 3.89Å; L204-Y220 HydrophobicContact CD2-CE1 3.76Å; L204-Y220 HydrophobicContact CG-CE1 4.44Å; L204-N223 PolarHBondContact O-ND2 2.9Å
205G97.4Very high97.4Very high2 Ų229.5 Ų29.52%0.02119%0.188CC..G310 helixtrans-72.8-17.1172.700000113.4D203 D254 V255D203-G205 PolarHBondContact O-N 3.35Å; D203-G205 PolarHBondContact OD1-N 3Å; G205-D254 VanDerWaalsContact CA-OD1 3.28Å; G205-D254 WeakPolarHBondContact CA-OD1 3.12Å; G205-D254 WeakPolarHBondContact O-CA 3.4Å; G205-V255 PolarHBondContact O-N 3.01Å
206S97.7Very high97.3Very high9 Ų929.6 Ų29.66%0.06319%0.189CC..G310 helixtrans-109.98.4-174.9-67.60000114.3K87 I88 D203 L204K87-S206 CarbonylContact C-O 3.55Å; K87-S206 WeakPolarHBondContact CA-O 3.36Å; K87-S206 WeakPolarHBondContact CB-O 3.5Å; I88-S206 PolarHBondContact N-O 2.9Å; D203-S206 PolarHBondContact O-N 2.83Å; D203-S206 VanDerWaalsContact O-N 3.1Å; D203-S206 VanDerWaalsContact OD2-CB 3.25Å; D203-S206 WeakPolarHBondContact OD2-CB 3.5Å; D203-S206 PolarHBondContact OD2-OG 3.36Å; L204-S206 PolarHBondContact O-N 3.29Å
207V98.5Very high97.2Very high0 Ų028.6 Ų28.60%018%0.183CC..EExtended strand (participates in β ladder)trans-130.2138.2178.359.40000111.1I88 V90 L197 C201 L204 N223 V255I88-V207 HydrophobicContact CB-CB 4.3Å; I88-V207 HydrophobicContact CB-CG2 4.14Å; I88-V207 HydrophobicContact CG2-CG2 4.04Å; I88-V207 WeakPolarHBondContact O-CA 3.49Å; V90-V207 HydrophobicContact CG2-CG2 3.71Å; L197-V207 HydrophobicContact CB-CG1 4.39Å; C201-V207 HydrophobicContact CB-CB 3.9Å; C201-V207 HydrophobicContact CB-CG1 3.97Å; C201-V207 HydrophobicContact CB-CG2 4.47Å; L204-V207 HydrophobicContact CD2-CG1 4.08Å; V207-N223 PolarHBondContact O-ND2 3.5Å; V207-V255 WeakPolarHBondContact O-CG2 3.48Å
208L98.4Very high97Very high0 Ų036 Ų360%021%0.21CC..EExtended strand (participates in β ladder)trans-135.6154174.359.7152.8000109.6K87 I88 L89 V90 Y150 N223 I225 L246 L249 V255 L259K87-L208 HydrophobicContact CB-CD2 4.43Å; I88-L208 VanDerWaalsContact O-CD2 3.28Å; I88-L208 WeakPolarHBondContact O-CD2 3.22Å; I88-L208 PolarHBondContact O-N 3.38Å; L89-L208 HydrophobicContact CD1-CD1 3.75Å; L89-L208 HydrophobicContact CD1-CG 3.82Å; V90-L208 WeakPolarHBondContact CB-O 3.29Å; V90-L208 PolarHBondContact N-O 3.46Å; Y150-L208 HydrophobicContact CD1-CD2 4.09Å; Y150-L208 HydrophobicContact CE1-CD2 3.7Å; L208-N223 CarbonylContact C-O 3.57Å; L208-N223 VanDerWaalsContact CA-O 3.24Å; L208-N223 WeakPolarHBondContact CA-O 3.4Å; L208-N223 WeakPolarHBondContact CB-O 3.36Å; L208-I225 HydrophobicContact CD1-CD1 3.57Å; L208-I225 HydrophobicContact CD1-CG1 4.39Å; L208-L246 HydrophobicContact CD1-CD2 3.78Å; L208-L249 HydrophobicContact CD1-CD1 4.05Å; L208-V255 HydrophobicContact CB-CG2 4.3Å; L208-V255 HydrophobicContact CD2-CG1 4.14Å; L208-L259 HydrophobicContact CB-CD1 3.94Å
209I98.5Very high96.9Very high0 Ų038.5 Ų38.50%022%0.217CC..EExtended strand (participates in β ladder)trans-123.3133.4-179-175.7167.9000111.4V90 K195 L197 D211 Y217 N223 A224 I225V90-I209 HydrophobicContact CB-CB 4.01Å; V90-I209 HydrophobicContact CB-CD1 4.49Å; V90-I209 HydrophobicContact CB-CG1 4Å; V90-I209 HydrophobicContact CG1-CB 4.4Å; V90-I209 HydrophobicContact CG1-CD1 3.94Å; V90-I209 HydrophobicContact CG1-CG1 3.9Å; V90-I209 CarbonylContact O-C 3.54Å; V90-I209 WeakPolarHBondContact O-CA 3.33Å; K195-I209 HydrophobicContact CB-CD1 4.32Å; K195-I209 HydrophobicContact CD-CD1 3.75Å; L197-I209 HydrophobicContact CD1-CB 4.34Å; L197-I209 HydrophobicContact CD1-CG2 3.99Å; L197-I209 HydrophobicContact CD2-CB 4.13Å; L197-I209 HydrophobicContact CD2-CD1 4.15Å; L197-I209 HydrophobicContact CD2-CG2 4.44Å; I209-D211 HydrophobicContact CD1-CB 4.45Å; I209-D211 HydrophobicContact CG1-CB 4.23Å; I209-Y217 HydrophobicContact CG2-CG 4.38Å; I209-N223 PolarHBondContact N-O 3.3Å; I209-A224 HydrophobicContact CG2-CB 4Å; I209-A224 CarbonylContact O-C 3.51Å; I209-A224 WeakPolarHBondContact O-CA 3.36Å; I209-I225 PolarHBondContact O-N 3.3Å
210L98.7Very high96.8Very high1 Ų136.8 Ų36.81%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-105.4116.4170.9177.963000109.1L89 V90 L91 D92 T96 F142 I225 I227 L239 L242L89-L210 HydrophobicContact CD1-CB 4.4Å; V90-L210 PolarHBondContact O-N 2.83Å; L91-L210 HydrophobicContact CD2-CB 4.03Å; L91-L210 HydrophobicContact CD2-CD2 3.94Å; D92-L210 PolarHBondContact N-O 3.36Å; D92-L210 VanDerWaalsContact N-O 3.12Å; T96-L210 HydrophobicContact CG2-CG 4.28Å; F142-L210 HydrophobicContact CE1-CD2 4.33Å; F142-L210 HydrophobicContact CZ-CD2 3.86Å; L210-I225 HydrophobicContact CD1-CB 4.04Å; L210-I225 HydrophobicContact CD1-CG2 3.75Å; L210-I225 WeakPolarHBondContact CD1-O 3.33Å; L210-I227 HydrophobicContact CD1-CB 3.71Å; L210-I227 HydrophobicContact CD1-CD1 4.17Å; L210-I227 HydrophobicContact CD1-CG2 3.76Å; L210-I227 HydrophobicContact CG-CG2 4.22Å; L210-L239 HydrophobicContact CD2-CD2 4.04Å; L210-L242 HydrophobicContact CD1-CD1 3.53Å; L210-L242 HydrophobicContact CD2-CD1 3.95Å; L210-L242 HydrophobicContact CG-CD1 4.43Å
211D98.3Very high96.7Very high2 Ų238.9 Ų38.91%0.01122%0.216CC..EExtended strand (participates in β ladder)trans-156.1146.1-172.8-159.6-55.2000110.9D92 K195 I209 S213 A216 Y217 I225 I227D92-D211 HydrophobicContact CB-CB 4.22Å; D92-D211 WeakPolarHBondContact CB-OD2 3.4Å; K195-D211 WeakPolarHBondContact CE-OD2 3.25Å; K195-D211 IonicContact NZ-OD2 3.93Å; K195-D211 PolarHBondContact NZ-OD2 3.4Å; I209-D211 HydrophobicContact CD1-CB 4.45Å; I209-D211 HydrophobicContact CG1-CB 4.23Å; D211-S213 WeakPolarHBondContact OD1-CB 3.26Å; D211-S213 PolarHBondContact OD1-N 3.01Å; D211-A216 VanDerWaalsContact OD2-CB 3.26Å; D211-A216 WeakPolarHBondContact OD2-CB 3.44Å; D211-Y217 HydrophobicContact CB-CD1 3.79Å; D211-Y217 HydrophobicContact CB-CE1 3.97Å; D211-I225 PolarHBondContact N-O 2.89Å; D211-I227 PolarHBondContact O-N 3.18Å
212N97.2Very high96.6Very high22 Ų2243 Ų4312%0.11824%0.235CC..SBendtrans-86.7-14177.771-58.1000114E95 T96 P214 I227 S229E95-N212 WeakPolarHBondContact CB-ND2 3.41Å; E95-N212 PolarHBondContact OE2-ND2 2.75Å; T96-N212 PolarHBondContact OG1-N 3.3Å; T96-N212 PolarHBondContact OG1-OD1 3.32Å; N212-P214 WeakPolarHBondContact O-CD 3.39Å; N212-I227 WeakPolarHBondContact CA-O 3.42Å; N212-I227 HydrophobicContact CB-CG2 4.22Å; N212-I227 WeakPolarHBondContact CB-O 3.45Å; N212-S229 PolarHBondContact ND2-OG 2.83Å
213S95.6Very high96.7Very high46 Ų4637.7 Ų37.732%0.32220%0.197SC..  trans-107111.2-177.2-179.40000111.9D211 V215 A216 Y217D211-S213 WeakPolarHBondContact OD1-CB 3.26Å; D211-S213 PolarHBondContact OD1-N 3.01Å; S213-V215 PolarHBondContact O-N 2.83Å; S213-V215 VanDerWaalsContact O-N 3.11Å; S213-A216 VanDerWaalsContact O-CB 3.31Å; S213-A216 WeakPolarHBondContact O-CB 3.26Å; S213-A216 PolarHBondContact O-N 3.12Å; S213-Y217 WeakPolarHBondContact O-CD1 3.46Å; S213-Y217 VanDerWaalsContact O-CE1 3.26Å; S213-Y217 WeakPolarHBondContact O-CE1 3.32Å
214P94.7Very high96.7Very high76 Ų7634.6 Ų34.649%0.49418%0.181SC..THydrogen-bonded Turntrans-58.1-26.1175.5-25.734.6000115.1N212 A216 Y217 R218N212-P214 WeakPolarHBondContact O-CD 3.39Å; P214-A216 VanDerWaalsContact C-N 3.3Å; P214-A216 PolarHBondContact O-N 3.05Å; P214-Y217 WeakPolarHBondContact CA-OH 3.4Å; P214-Y217 HydrophobicContact CB-CE2 4.25Å; P214-R218 PolarHBondContact O-N 3.14Å
215V94.9Very high96.6Very high57 Ų5733 Ų3335%0.34517%0.172SC..THydrogen-bonded Turntrans-67.9-34.5177.6-175.50000110.9S213 Y217 R218S213-V215 PolarHBondContact O-N 2.83Å; S213-V215 VanDerWaalsContact O-N 3.11Å; V215-Y217 VanDerWaalsContact C-N 3.3Å; V215-Y217 PolarHBondContact O-N 3.46Å; V215-R218 WeakPolarHBondContact O-CB 3.4Å; V215-R218 PolarHBondContact O-N 2.96Å
216A96.3Very high96.6Very high6 Ų635 Ų355%0.0519%0.185CC..THydrogen-bonded Turntrans-61.3-39.1-178.100000112.1K195 D211 S213 P214K195-A216 WeakPolarHBondContact CB-O 3.31Å; K195-A216 HydrophobicContact CD-CB 4.06Å; K195-A216 HydrophobicContact CG-CB 4.35Å; K195-A216 PolarHBondContact N-O 3.43Å; D211-A216 VanDerWaalsContact OD2-CB 3.26Å; D211-A216 WeakPolarHBondContact OD2-CB 3.44Å; S213-A216 VanDerWaalsContact O-CB 3.31Å; S213-A216 WeakPolarHBondContact O-CB 3.26Å; S213-A216 PolarHBondContact O-N 3.12Å; P214-A216 VanDerWaalsContact C-N 3.3Å; P214-A216 PolarHBondContact O-N 3.05Å
217Y95.4Very high96.5Very high20 Ų2035.1 Ų35.18%0.07819%0.185CC..THydrogen-bonded Turntrans-107.321.1179.855.3-101.6000113.5I209 D211 S213 P214 V215 L219 Y220 A224I209-Y217 HydrophobicContact CG2-CG 4.38Å; D211-Y217 HydrophobicContact CB-CD1 3.79Å; D211-Y217 HydrophobicContact CB-CE1 3.97Å; S213-Y217 WeakPolarHBondContact O-CD1 3.46Å; S213-Y217 VanDerWaalsContact O-CE1 3.26Å; S213-Y217 WeakPolarHBondContact O-CE1 3.32Å; P214-Y217 WeakPolarHBondContact CA-OH 3.4Å; P214-Y217 HydrophobicContact CB-CE2 4.25Å; V215-Y217 VanDerWaalsContact C-N 3.3Å; V215-Y217 PolarHBondContact O-N 3.46Å; Y217-L219 PolarHBondContact O-N 3.28Å; Y217-Y220 CarbonylContact O-C 3.57Å; Y217-Y220 WeakPolarHBondContact O-CA 3.41Å; Y217-Y220 PolarHBondContact O-N 3.33Å; Y217-A224 HydrophobicContact CD1-CB 3.86Å; Y217-A224 HydrophobicContact CD2-CB 3.19Å; Y217-A224 HydrophobicContact CE1-CB 4.06Å; Y217-A224 HydrophobicContact CE2-CB 3.42Å; Y217-A224 VanDerWaalsContact CE2-CB 3.42Å; Y217-A224 HydrophobicContact CG-CB 3.41Å; Y217-A224 VanDerWaalsContact CG-CB 3.41Å
218R93.8Very high96.4Very high155 Ų15541.9 Ų41.959%0.58521%0.214SC*.THydrogen-bonded Turntrans-53.9-31.6-175.9-176.5-179.7179.2-1652114.2D189 P214 V215 Y220D189-R218 IonicContact OD2-NH1 3.76Å; P214-R218 PolarHBondContact O-N 3.14Å; V215-R218 WeakPolarHBondContact O-CB 3.4Å; V215-R218 PolarHBondContact O-N 2.96Å; R218-Y220 VanDerWaalsContact C-N 3.33Å
219L94.2Very high96.3Very high101 Ų10143.9 Ų43.953%0.52923%0.228SC..THydrogen-bonded Turntrans-77.9-17.9177.7-61.9179.4000113.3Y217 P221Y217-L219 PolarHBondContact O-N 3.28Å; L219-P221 VanDerWaalsContact C-CD 3.5Å
220Y95.6Very high96.3Very high34 Ų3444 Ų4413%0.13323%0.228CC..  trans-135.353.4-175.2-51.8-82.7000111.9D196 L197 L204 Y217 R218 E222 N223D196-Y220 PolarHBondContact OD1-OH 2.84Å; L197-Y220 HydrophobicContact CB-CD1 4.22Å; L197-Y220 HydrophobicContact CB-CD2 3.87Å; L197-Y220 HydrophobicContact CB-CE1 4.38Å; L197-Y220 HydrophobicContact CB-CE2 4.1Å; L197-Y220 HydrophobicContact CB-CG 3.97Å; L197-Y220 HydrophobicContact CD1-CD2 4.2Å; L197-Y220 HydrophobicContact CD1-CG 3.87Å; L197-Y220 HydrophobicContact CG-CD2 3.71Å; L197-Y220 HydrophobicContact CG-CE2 4.36Å; L197-Y220 HydrophobicContact CG-CG 3.87Å; L204-Y220 HydrophobicContact CD1-CD1 3.99Å; L204-Y220 HydrophobicContact CD1-CE1 3.76Å; L204-Y220 HydrophobicContact CD2-CD1 3.89Å; L204-Y220 HydrophobicContact CD2-CE1 3.76Å; L204-Y220 HydrophobicContact CG-CE1 4.44Å; Y217-Y220 CarbonylContact O-C 3.57Å; Y217-Y220 WeakPolarHBondContact O-CA 3.41Å; Y217-Y220 PolarHBondContact O-N 3.33Å; R218-Y220 VanDerWaalsContact C-N 3.33Å; Y220-E222 PolarHBondContact O-N 2.86Å; Y220-N223 PolarHBondContact O-N 2.97Å
221P95.6Very high96Very high51 Ų5146.9 Ų46.933%0.33124%0.241SC..G310 helixtrans-61.2-30.2-177.126.7-34.7000112.1L219 N223 A224 V263L219-P221 VanDerWaalsContact C-CD 3.5Å; P221-N223 PolarHBondContact O-N 3.25Å; P221-A224 PolarHBondContact O-N 3.06Å; P221-V263 HydrophobicContact CB-CG2 4.36Å; P221-V263 WeakPolarHBondContact O-CG2 3.48Å
222E96.3Very high95.6Very high98 Ų9848.4 Ų48.446%0.45825%0.252SS..G310 helixtrans-74.9-8.1177.6-58.8-177.1-176.300113.8Y220 R256 L259 A260Y220-E222 PolarHBondContact O-N 2.86Å; E222-R256 HydrophobicContact CB-CB 4.13Å; E222-R256 HydrophobicContact CB-CG 4.19Å; E222-R256 WeakPolarHBondContact O-CA 3.46Å; E222-L259 WeakPolarHBondContact O-CB 3.38Å; E222-A260 HydrophobicContact CB-CB 4.08Å; E222-A260 HydrophobicContact CG-CB 3.83Å
223N97.7Very high95.2Very high4 Ų451.1 Ų51.12%0.02127%0.267CS..G310 helixtrans-103.9-2.5175.9-68.889000112.6L197 L204 V207 L208 I209 Y220 P221 R256L197-N223 HydrophobicContact CD1-CB 3.59Å; L204-N223 PolarHBondContact O-ND2 2.9Å; V207-N223 PolarHBondContact O-ND2 3.5Å; L208-N223 CarbonylContact C-O 3.57Å; L208-N223 VanDerWaalsContact CA-O 3.24Å; L208-N223 WeakPolarHBondContact CA-O 3.4Å; L208-N223 WeakPolarHBondContact CB-O 3.36Å; I209-N223 PolarHBondContact N-O 3.3Å; Y220-N223 PolarHBondContact O-N 2.97Å; P221-N223 PolarHBondContact O-N 3.25Å; N223-R256 WeakPolarHBondContact OD1-CD 3.49Å
224A97.4Very high94.9Very high3 Ų350.9 Ų50.93%0.02526%0.264CS..EExtended strand (participates in β ladder)trans-95.6138.8-168.800000113I209 Y217 P221I209-A224 HydrophobicContact CG2-CB 4Å; I209-A224 CarbonylContact O-C 3.51Å; I209-A224 WeakPolarHBondContact O-CA 3.36Å; Y217-A224 HydrophobicContact CD1-CB 3.86Å; Y217-A224 HydrophobicContact CD2-CB 3.19Å; Y217-A224 HydrophobicContact CE1-CB 4.06Å; Y217-A224 HydrophobicContact CE2-CB 3.42Å; Y217-A224 VanDerWaalsContact CE2-CB 3.42Å; Y217-A224 HydrophobicContact CG-CB 3.41Å; Y217-A224 VanDerWaalsContact CG-CB 3.41Å; P221-A224 PolarHBondContact O-N 3.06Å
225I97.2Very high94.7Very high6 Ų651.1 Ų51.13%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-106103.4162.1-60.3178.8000106.1L208 I209 L210 D211 L242 F245 L246 L249 L259L208-I225 HydrophobicContact CD1-CD1 3.57Å; L208-I225 HydrophobicContact CD1-CG1 4.39Å; I209-I225 PolarHBondContact O-N 3.3Å; L210-I225 HydrophobicContact CD1-CB 4.04Å; L210-I225 HydrophobicContact CD1-CG2 3.75Å; L210-I225 WeakPolarHBondContact CD1-O 3.33Å; D211-I225 PolarHBondContact N-O 2.89Å; I225-L242 HydrophobicContact CG2-CD1 4.27Å; I225-L242 HydrophobicContact CG2-CD2 3.7Å; I225-F245 HydrophobicContact CD1-CD1 4.28Å; I225-F245 HydrophobicContact CD1-CE1 4.18Å; I225-F245 HydrophobicContact CG1-CE1 4.34Å; I225-L246 HydrophobicContact CD1-CD2 3.51Å; I225-L246 HydrophobicContact CD1-CG 4.46Å; I225-L249 HydrophobicContact CD1-CD1 4.09Å; I225-L259 HydrophobicContact CD1-CD2 4.28Å; I225-L259 HydrophobicContact CG1-CD1 4.47Å; I225-L259 HydrophobicContact CG1-CD2 3.62Å
226P96.2Very high94.6Very high44 Ų4449 Ų4929%0.28625%0.253SS..EExtended strand (participates in β ladder)trans-68.4142.3173.822.2-24.1000109.9M266P226-M266 HydrophobicContact CB-CE 4.45Å; P226-M266 HydrophobicContact CB-SD 4.25Å; P226-M266 HydrophobicContact CG-CE 3.31Å; P226-M266 HydrophobicContact CG-SD 3.59Å; P226-M266 VanDerWaalsContact CG-SD 3.59Å
227I96.4Very high94.5Very high11 Ų1151.3 Ų51.36%0.05627%0.267CS..  trans-133.5147.3173.8-170.1171000110.1T96 R136 L210 D211 N212 S229 E238 L239 L242T96-I227 HydrophobicContact CG2-CG2 4.04Å; R136-I227 VanDerWaalsContact NH1-CD1 3.27Å; L210-I227 HydrophobicContact CD1-CB 3.71Å; L210-I227 HydrophobicContact CD1-CD1 4.17Å; L210-I227 HydrophobicContact CD1-CG2 3.76Å; L210-I227 HydrophobicContact CG-CG2 4.22Å; D211-I227 PolarHBondContact O-N 3.18Å; N212-I227 WeakPolarHBondContact CA-O 3.42Å; N212-I227 HydrophobicContact CB-CG2 4.22Å; N212-I227 WeakPolarHBondContact CB-O 3.45Å; I227-S229 PolarHBondContact O-N 2.84Å; I227-E238 HydrophobicContact CD1-CB 3.97Å; I227-E238 HydrophobicContact CG1-CB 4.04Å; I227-L239 HydrophobicContact CD1-CD2 3.66Å; I227-L239 HydrophobicContact CD1-CG 4.37Å; I227-L242 HydrophobicContact CD1-CD1 3.92Å
228K96.3Very high94.5Very high143 Ų14353.7 Ų53.762%0.62228%0.278SS*.  trans-62.9134.8176.1-172.3-177.2176.5-175.60110.5R136 W230R136-K228 PolarHBondContact NH1-O 3.29Å; R136-K228 PolarHBondContact NH2-O 3.42Å; K228-W230 PolarHBondContact O-N 3.46Å
229S97Very high94.7Very high41 Ų4146.3 Ų46.329%0.28725%0.251SS..  trans-54.5134.1169.8-530000110.7E95 N212 I227E95-S229 WeakPolarHBondContact O-CA 3.46Å; N212-S229 PolarHBondContact ND2-OG 2.83Å; I227-S229 PolarHBondContact O-N 2.84Å
230W96.5Very high94.7Very high3 Ų342.4 Ų42.41%0.01123%0.23CC..  trans-120134.9-179.6-178.887.1000111.4E95 H99 H134 K135 R136 P137 K228 D233 D236E95-W230 WeakPolarHBondContact CA-O 3.42Å; E95-W230 PolarHBondContact O-N 3.3Å; H99-W230 HydrophobicContact CB-CE3 3.92Å; H99-W230 HydrophobicContact CB-CZ3 3.79Å; H134-W230 HydrophobicContact CB-CH2 3.84Å; H134-W230 HydrophobicContact CB-CZ3 4.09Å; H134-W230 WeakPolarHBondContact O-CZ3 3.46Å; K135-W230 WeakPolarHBondContact O-CH2 3.27Å; R136-W230 HydrophobicContact CB-CD2 3.81Å; R136-W230 HydrophobicContact CB-CE3 3.77Å; R136-W230 HydrophobicContact CB-CG 4.25Å; R136-W230 HydrophobicContact CB-CZ3 4.19Å; R136-W230 HydrophobicContact CG-CB 4.19Å; R136-W230 HydrophobicContact CG-CD2 3.75Å; R136-W230 HydrophobicContact CG-CE3 4.23Å; R136-W230 HydrophobicContact CG-CG 3.7Å; P137-W230 VanDerWaalsContact CD-CE2 3.46Å; P137-W230 HydrophobicContact CG-CZ2 4.43Å; K228-W230 PolarHBondContact O-N 3.46Å; W230-D233 PolarHBondContact NE1-O 2.9Å; W230-D236 VanDerWaalsContact CD1-CB 3.46Å; W230-D236 VanDerWaalsContact CD1-CG 3.44Å
231F93.5Very high94.6Very high61 Ų6145.2 Ų45.227%0.26825%0.247SC..SBendtrans-123.3-50.6-175-59.5-77.7000112.4E95 H99 M109E95-F231 HydrophobicContact CG-CD1 4.33Å; E95-F231 HydrophobicContact CG-CE1 3.73Å; E95-F231 HydrophobicContact CG-CZ 4.35Å; H99-F231 WeakPolarHBondContact CB-O 3.37Å; H99-F231 PolarHBondContact CD2-O 3.38Å; H99-F231 AromaticContact CE1-CD1 3.53Å; H99-F231 AromaticContact ND1-CD1 3.56Å; M109-F231 HydrophobicContact CB-CB 4.3Å; M109-F231 HydrophobicContact CB-CD1 4.34Å; M109-F231 HydrophobicContact CE-CE1 4.36Å; M109-F231 HydrophobicContact SD-CD1 3.3Å; M109-F231 WeakPolarHBondContact SD-CD1 3.5Å; M109-F231 HydrophobicContact SD-CE1 3.36Å; M109-F231 WeakPolarHBondContact SD-CE1 3.26Å; M109-F231 HydrophobicContact SD-CG 4.03Å; M109-F231 HydrophobicContact SD-CZ 4.11Å
232S89Confident94.6Very high35 Ų3543.9 Ų43.925%0.24524%0.238CC..SBendtrans-158-2.5-17571.10000115.4P234S232-P234 WeakPolarHBondContact O-CD 3.14Å; S232-P234 VanDerWaalsContact O-N 3.1Å
233D90.7Very high94.6Very high79 Ų7939.3 Ų39.342%0.42222%0.216SC..  trans-65.6111.4-173.8-175.90000109.8P137 W230 C235 D236P137-D233 WeakPolarHBondContact CG-O 3.21Å; W230-D233 PolarHBondContact NE1-O 2.9Å; D233-C235 PolarHBondContact O-N 3.4Å; D233-C235 PolarHBondContact OD1-N 2.92Å; D233-D236 HydrophobicContact CB-CB 4.37Å; D233-D236 PolarHBondContact O-N 3.49Å
234P88.3Confident94.5Very high40 Ų4042.4 Ų42.426%0.2624%0.237SC..THydrogen-bonded Turntrans-74.2-12-178.234-37.5000112.9L61 S232L61-P234 HydrophobicContact CD2-CB 3.57Å; L61-P234 HydrophobicContact CD2-CG 3.47Å; L61-P234 VanDerWaalsContact CD2-CG 3.47Å; L61-P234 HydrophobicContact CG-CB 4.2Å; S232-P234 WeakPolarHBondContact O-CD 3.14Å; S232-P234 VanDerWaalsContact O-N 3.1Å
235C89.5Confident94.4Very high81 Ų8145.1 Ų45.155%0.54725%0.248SC..THydrogen-bonded Turntrans-994.1179.6-60.40000113.1D233 T237D233-C235 PolarHBondContact O-N 3.4Å; D233-C235 PolarHBondContact OD1-N 2.92Å; C235-T237 PolarHBondContact O-N 3.32Å
236D93.3Very high94.4Very high13 Ų1344.9 Ų44.97%0.0725%0.247CC..  trans-58.8134.4176.4179.8-83.7000110.8R136 P137 H138 W230 D233 E238R136-D236 IonicContact CZ-OD1 2.96Å; R136-D236 IonicContact CZ-OD2 3.74Å; R136-D236 IonicContact NE-OD1 2.79Å; R136-D236 PolarHBondContact NE-OD1 3.18Å; R136-D236 IonicContact NE-OD2 3.61Å; R136-D236 IonicContact NH2-OD1 3.99Å; R136-D236 PolarHBondContact NH2-OD1 2.79Å; R136-D236 IonicContact NH2-OD2 3.79Å; R136-D236 PolarHBondContact NH2-OD2 3.01Å; P137-D236 VanDerWaalsContact CB-O 3.32Å; P137-D236 WeakPolarHBondContact CB-O 3.38Å; P137-D236 HydrophobicContact CG-CB 4.12Å; H138-D236 PolarHBondContact CD2-O 2.86Å; W230-D236 VanDerWaalsContact CD1-CB 3.46Å; W230-D236 VanDerWaalsContact CD1-CG 3.44Å; D233-D236 HydrophobicContact CB-CB 4.37Å; D233-D236 PolarHBondContact O-N 3.49Å; D236-E238 PolarHBondContact OD1-N 3.36Å; D236-E238 WeakPolarHBondContact OD2-CG 3.45Å
237T94.1Very high94.4Very high55 Ų5544.3 Ų44.334%0.33724%0.241SC..  trans-123.210.2179.455.20000113C235 L239 L240 N241C235-T237 PolarHBondContact O-N 3.32Å; T237-L239 PolarHBondContact O-N 2.83Å; T237-L240 WeakPolarHBondContact O-CA 3.2Å; T237-L240 WeakPolarHBondContact O-CB 3.38Å; T237-L240 PolarHBondContact O-N 2.84Å; T237-N241 PolarHBondContact O-N 2.95Å; T237-N241 PolarHBondContact O-ND2 2.86Å; T237-N241 PolarHBondContact OG1-ND2 3.36Å; T237-N241 VanDerWaalsContact OG1-ND2 3.09Å
238E96.1Very high94.3Very high69 Ų6946.5 Ų46.532%0.32226%0.261SS..Hα-helixtrans-60-43.7-168.6-67.2-67.1127.600112.5R136 I227 D236 L240 N241 L242R136-E238 VanDerWaalsContact NH2-CG 3.29Å; I227-E238 HydrophobicContact CD1-CB 3.97Å; I227-E238 HydrophobicContact CG1-CB 4.04Å; D236-E238 PolarHBondContact OD1-N 3.36Å; D236-E238 WeakPolarHBondContact OD2-CG 3.45Å; E238-L240 VanDerWaalsContact C-N 3.29Å; E238-L240 PolarHBondContact O-N 3.24Å; E238-N241 PolarHBondContact O-N 3.21Å; E238-L242 WeakPolarHBondContact O-CG 3.44Å; E238-L242 PolarHBondContact O-N 2.92Å
239L97Very high94.3Very high0 Ų039.8 Ų39.80%023%0.232CC..Hα-helixtrans-61.6-37.7176.3-67.5-179.5000112.3L97 R136 V139 F142 L210 I227 T237 L242L97-L239 HydrophobicContact CD2-CD1 4.15Å; L97-L239 HydrophobicContact CD2-CD2 4.06Å; R136-L239 HydrophobicContact CB-CD1 4.17Å; R136-L239 HydrophobicContact CG-CD1 3.99Å; R136-L239 HydrophobicContact CG-CG 4.35Å; V139-L239 HydrophobicContact CB-CD1 3.88Å; V139-L239 HydrophobicContact CG2-CD1 4.14Å; F142-L239 HydrophobicContact CB-CB 4.19Å; F142-L239 HydrophobicContact CD1-CD2 4.37Å; F142-L239 HydrophobicContact CD2-CB 3.98Å; F142-L239 HydrophobicContact CD2-CD2 4.49Å; F142-L239 WeakPolarHBondContact CD2-O 3.39Å; F142-L239 HydrophobicContact CE1-CD2 4.33Å; F142-L239 HydrophobicContact CE2-CD2 4.43Å; F142-L239 HydrophobicContact CG-CB 4.07Å; F142-L239 HydrophobicContact CG-CD2 4.45Å; F142-L239 HydrophobicContact CZ-CD2 4.36Å; L210-L239 HydrophobicContact CD2-CD2 4.04Å; I227-L239 HydrophobicContact CD1-CD2 3.66Å; I227-L239 HydrophobicContact CD1-CG 4.37Å; T237-L239 PolarHBondContact O-N 2.83Å; L239-L242 PolarHBondContact O-N 3.49Å
240L94.2Very high94.2Very high20 Ų2039.7 Ų39.711%0.10523%0.225CC..Hα-helixtrans-67.8-42177.7-171.772.4000110.9I66 Y141 T237 E238 L242 L243I66-L240 HydrophobicContact CB-CD2 4.13Å; I66-L240 HydrophobicContact CG2-CD2 4.14Å; Y141-L240 HydrophobicContact CD1-CD1 4.16Å; Y141-L240 HydrophobicContact CE1-CD1 4.01Å; T237-L240 WeakPolarHBondContact O-CA 3.2Å; T237-L240 WeakPolarHBondContact O-CB 3.38Å; T237-L240 PolarHBondContact O-N 2.84Å; E238-L240 VanDerWaalsContact C-N 3.29Å; E238-L240 PolarHBondContact O-N 3.24Å; L240-L242 PolarHBondContact O-N 3.39Å; L240-L243 HydrophobicContact CD1-CD1 3.87Å; L240-L243 WeakPolarHBondContact O-CB 3.35Å; L240-L243 WeakPolarHBondContact O-CG 3.31Å; L240-L243 PolarHBondContact O-N 2.97Å; L240-L243 VanDerWaalsContact O-N 3.13Å
241N94.3Very high94.2Very high92 Ų9241.3 Ų41.349%0.49223%0.232SC..Hα-helixtrans-65.4-21.9-178.7-63-23000112.7T237 E238 P244T237-N241 PolarHBondContact O-N 2.95Å; T237-N241 PolarHBondContact O-ND2 2.86Å; T237-N241 PolarHBondContact OG1-ND2 3.36Å; T237-N241 VanDerWaalsContact OG1-ND2 3.09Å; E238-N241 PolarHBondContact O-N 3.21Å; N241-P244 WeakPolarHBondContact O-CD 3.35Å
242L96.4Very high94.2Very high24 Ų2439.7 Ų39.713%0.12623%0.227CC..THydrogen-bonded Turntrans-77.8-20.1175.8-70.5175.8000114F142 L210 I225 I227 E238 L239 L240 F245 L246F142-L242 HydrophobicContact CE2-CB 4.49Å; L210-L242 HydrophobicContact CD1-CD1 3.53Å; L210-L242 HydrophobicContact CD2-CD1 3.95Å; L210-L242 HydrophobicContact CG-CD1 4.43Å; I225-L242 HydrophobicContact CG2-CD1 4.27Å; I225-L242 HydrophobicContact CG2-CD2 3.7Å; I227-L242 HydrophobicContact CD1-CD1 3.92Å; E238-L242 WeakPolarHBondContact O-CG 3.44Å; E238-L242 PolarHBondContact O-N 2.92Å; L239-L242 PolarHBondContact O-N 3.49Å; L240-L242 PolarHBondContact O-N 3.39Å; L242-F245 PolarHBondContact O-N 3.23Å; L242-F245 VanDerWaalsContact O-N 3.17Å; L242-L246 HydrophobicContact CB-CD1 4.07Å; L242-L246 HydrophobicContact CB-CG 4.43Å; L242-L246 WeakPolarHBondContact O-CB 3.35Å; L242-L246 WeakPolarHBondContact O-CG 3.33Å; L242-L246 PolarHBondContact O-N 2.86Å
243L96.6Very high94.5Very high1 Ų143.4 Ų43.41%0.00524%0.244CC..Hα-helixtrans-57.6-46.8-173.3-66.1178.8000114.1Y68 Y141 F142 V145 V146 W149 L240 F245 L246 D247Y68-L243 HydrophobicContact CD2-CB 3.71Å; Y68-L243 HydrophobicContact CE2-CB 4.19Å; Y68-L243 HydrophobicContact CG-CB 3.99Å; Y68-L243 HydrophobicContact CG-CD1 4.22Å; Y141-L243 HydrophobicContact CD1-CD1 4.46Å; Y141-L243 HydrophobicContact CE1-CD1 3.95Å; F142-L243 HydrophobicContact CD2-CD2 3.65Å; F142-L243 HydrophobicContact CD2-CG 4.37Å; F142-L243 HydrophobicContact CE2-CD2 4.1Å; V145-L243 HydrophobicContact CB-CD2 4.16Å; V145-L243 HydrophobicContact CG1-CD1 4.42Å; V145-L243 HydrophobicContact CG1-CD2 3.86Å; V146-L243 HydrophobicContact CG1-CD2 3.8Å; W149-L243 HydrophobicContact CH2-CB 4.35Å; W149-L243 HydrophobicContact CH2-CD2 4.36Å; W149-L243 HydrophobicContact CZ3-CD2 4.11Å; W149-L243 WeakPolarHBondContact CZ3-O 3.27Å; L240-L243 HydrophobicContact CD1-CD1 3.87Å; L240-L243 WeakPolarHBondContact O-CB 3.35Å; L240-L243 WeakPolarHBondContact O-CG 3.31Å; L240-L243 PolarHBondContact O-N 2.97Å; L240-L243 VanDerWaalsContact O-N 3.13Å; L243-F245 VanDerWaalsContact C-N 3.28Å; L243-F245 PolarHBondContact O-N 3.48Å; L243-L246 PolarHBondContact O-N 3.44Å; L243-D247 WeakPolarHBondContact O-CB 3.35Å; L243-D247 PolarHBondContact O-N 2.89Å
244P94.9Very high94.8Very high70 Ų7041.8 Ų41.846%0.45524%0.236SC..Hα-helixtrans-61.3-37.9177.9-16.426.7000112.9Y68 N241 D247 A248Y68-P244 HydrophobicContact CD2-CG 4.3Å; Y68-P244 HydrophobicContact CE2-CB 3.93Å; Y68-P244 HydrophobicContact CE2-CG 3.75Å; N241-P244 WeakPolarHBondContact O-CD 3.35Å; P244-D247 PolarHBondContact O-N 3.46Å; P244-A248 PolarHBondContact O-N 2.86Å; P244-A248 VanDerWaalsContact O-N 3.13Å
245F95.3Very high95.3Very high60 Ų6039.9 Ų39.926%0.26322%0.223SC..Hα-helixtrans-71.4-43.6-179.9-175.8-121.5000111.5I225 L242 L243 D247 A248 L249 V258 L259I225-F245 HydrophobicContact CD1-CD1 4.28Å; I225-F245 HydrophobicContact CD1-CE1 4.18Å; I225-F245 HydrophobicContact CG1-CE1 4.34Å; L242-F245 PolarHBondContact O-N 3.23Å; L242-F245 VanDerWaalsContact O-N 3.17Å; L243-F245 VanDerWaalsContact C-N 3.28Å; L243-F245 PolarHBondContact O-N 3.48Å; F245-D247 VanDerWaalsContact C-N 3.31Å; F245-D247 PolarHBondContact O-N 3.5Å; F245-A248 PolarHBondContact O-N 2.86Å; F245-L249 HydrophobicContact CD1-CD1 4.1Å; F245-L249 HydrophobicContact CE1-CD1 3.74Å; F245-L249 HydrophobicContact CE1-CG 4.43Å; F245-L249 HydrophobicContact CE2-CG 4.45Å; F245-L249 HydrophobicContact CZ-CD1 4.01Å; F245-L249 HydrophobicContact CZ-CD2 4.33Å; F245-L249 HydrophobicContact CZ-CG 4.3Å; F245-L249 WeakPolarHBondContact O-CG 3.41Å; F245-L249 PolarHBondContact O-N 3.21Å; F245-V258 HydrophobicContact CE2-CG1 3.75Å; F245-V258 HydrophobicContact CZ-CG1 3.9Å; F245-L259 HydrophobicContact CE1-CD2 3.64Å; F245-L259 HydrophobicContact CZ-CD2 3.78Å
246L97.1Very high95.6Very high1 Ų139.5 Ų39.51%0.00521%0.21CC..Hα-helixtrans-63.5-35.9174.1-72.1173.2000111.8L89 F142 V146 W149 Y150 L208 I225 L242 L243 L249L89-L246 HydrophobicContact CD1-CD2 4.32Å; L89-L246 HydrophobicContact CD2-CD1 4.32Å; L89-L246 HydrophobicContact CD2-CD2 4.4Å; F142-L246 HydrophobicContact CE2-CD1 3.55Å; F142-L246 HydrophobicContact CZ-CD1 3.79Å; V146-L246 HydrophobicContact CG1-CD1 3.79Å; W149-L246 HydrophobicContact CE3-CB 4.37Å; W149-L246 HydrophobicContact CZ3-CB 4.18Å; Y150-L246 HydrophobicContact CE2-CB 4.19Å; Y150-L246 WeakPolarHBondContact CE2-O 3.3Å; Y150-L246 PolarHBondContact OH-O 3.28Å; L208-L246 HydrophobicContact CD1-CD2 3.78Å; I225-L246 HydrophobicContact CD1-CD2 3.51Å; I225-L246 HydrophobicContact CD1-CG 4.46Å; L242-L246 HydrophobicContact CB-CD1 4.07Å; L242-L246 HydrophobicContact CB-CG 4.43Å; L242-L246 WeakPolarHBondContact O-CB 3.35Å; L242-L246 WeakPolarHBondContact O-CG 3.33Å; L242-L246 PolarHBondContact O-N 2.86Å; L243-L246 PolarHBondContact O-N 3.44Å; L246-L249 PolarHBondContact O-N 3.38Å
247D95.8Very high95.7Very high32 Ų3242.1 Ų42.117%0.17123%0.23CC..Hα-helixtrans-63.3-46.7174.2-17020.2000111.2Y68 W149 L243 P244 F245 L249 R250 F251Y68-D247 HydrophobicContact CE1-CB 4.12Å; Y68-D247 WeakPolarHBondContact CE1-OD2 3.42Å; Y68-D247 VanDerWaalsContact OH-CB 3.22Å; Y68-D247 WeakPolarHBondContact OH-CB 3.39Å; Y68-D247 PolarHBondContact OH-OD2 3.49Å; W149-D247 HydrophobicContact CE3-CB 4.41Å; W149-D247 HydrophobicContact CH2-CB 3.77Å; W149-D247 HydrophobicContact CZ2-CB 4.17Å; W149-D247 HydrophobicContact CZ3-CB 3.91Å; L243-D247 WeakPolarHBondContact O-CB 3.35Å; L243-D247 PolarHBondContact O-N 2.89Å; P244-D247 PolarHBondContact O-N 3.46Å; F245-D247 VanDerWaalsContact C-N 3.31Å; F245-D247 PolarHBondContact O-N 3.5Å; D247-L249 VanDerWaalsContact C-N 3.33Å; D247-L249 PolarHBondContact O-N 2.9Å; D247-R250 VanDerWaalsContact O-CB 3.28Å; D247-R250 WeakPolarHBondContact O-CB 3.28Å; D247-R250 WeakPolarHBondContact O-CD 3.32Å; D247-R250 VanDerWaalsContact O-CG 3.23Å; D247-R250 WeakPolarHBondContact O-CG 3.34Å; D247-R250 PolarHBondContact O-N 3.31Å; D247-R250 VanDerWaalsContact O-N 3.15Å; D247-R250 WeakPolarHBondContact OD1-CD 3.44Å; D247-R250 IonicContact OD1-CZ 3.31Å; D247-R250 IonicContact OD1-NE 3.16Å; D247-R250 IonicContact OD1-NH1 2.67Å; D247-R250 PolarHBondContact OD1-NH1 3.07Å; D247-F251 WeakPolarHBondContact O-CD2 3.42Å; D247-F251 WeakPolarHBondContact O-CE2 3.32Å
248A94.6Very high95.7Very high56 Ų5641.5 Ų41.546%0.46323%0.226SC..Hα-helixtrans-60.1-38.9177.900000113.3P244 F245 R250 F251P244-A248 PolarHBondContact O-N 2.86Å; P244-A248 VanDerWaalsContact O-N 3.13Å; F245-A248 PolarHBondContact O-N 2.86Å; A248-R250 PolarHBondContact O-N 2.88Å; A248-R250 VanDerWaalsContact O-N 3.16Å; A248-F251 PolarHBondContact O-N 3.23Å
249L96.2Very high95.7Very high2 Ų238.2 Ų38.21%0.0121%0.21CC..Hα-helixtrans-65.6-14.3179.6-73.4177.7000114K87 Y150 L208 I225 F245 L246 D247 F251 V252 V258 L259K87-L249 WeakPolarHBondContact CD-O 3.31Å; K87-L249 WeakPolarHBondContact CE-O 3.22Å; Y150-L249 WeakPolarHBondContact OH-CB 3.42Å; L208-L249 HydrophobicContact CD1-CD1 4.05Å; I225-L249 HydrophobicContact CD1-CD1 4.09Å; F245-L249 HydrophobicContact CD1-CD1 4.1Å; F245-L249 HydrophobicContact CE1-CD1 3.74Å; F245-L249 HydrophobicContact CE1-CG 4.43Å; F245-L249 HydrophobicContact CE2-CG 4.45Å; F245-L249 HydrophobicContact CZ-CD1 4.01Å; F245-L249 HydrophobicContact CZ-CD2 4.33Å; F245-L249 HydrophobicContact CZ-CG 4.3Å; F245-L249 WeakPolarHBondContact O-CG 3.41Å; F245-L249 PolarHBondContact O-N 3.21Å; L246-L249 PolarHBondContact O-N 3.38Å; D247-L249 VanDerWaalsContact C-N 3.33Å; D247-L249 PolarHBondContact O-N 2.9Å; L249-F251 PolarHBondContact O-N 2.89Å; L249-V252 HydrophobicContact CD2-CG2 4.17Å; L249-V252 WeakPolarHBondContact O-CG2 3.27Å; L249-V258 HydrophobicContact CD2-CB 3.77Å; L249-V258 HydrophobicContact CD2-CG1 3.88Å; L249-V258 HydrophobicContact CD2-CG2 4.21Å; L249-L259 HydrophobicContact CD1-CD2 4.02Å; L249-L259 HydrophobicContact CD1-CG 4.39Å
250R95.4Very high95.3Very high39 Ų3939.8 Ų39.815%0.14722%0.223CC..THydrogen-bonded Turntrans-60.5-36.6174.2-62162.364.8-169.80.2111.3L81 K87 W149 Y150 D247 A248L81-R250 HydrophobicContact CD2-CB 4.1Å; K87-R250 PolarHBondContact NZ-O 2.66Å; W149-R250 HydrophobicContact CB-CG 3.97Å; W149-R250 HydrophobicContact CG-CG 4.38Å; Y150-R250 HydrophobicContact CE2-CG 4.09Å; Y150-R250 PolarHBondContact OH-N 3.4Å; D247-R250 VanDerWaalsContact O-CB 3.28Å; D247-R250 WeakPolarHBondContact O-CB 3.28Å; D247-R250 WeakPolarHBondContact O-CD 3.32Å; D247-R250 VanDerWaalsContact O-CG 3.23Å; D247-R250 WeakPolarHBondContact O-CG 3.34Å; D247-R250 PolarHBondContact O-N 3.31Å; D247-R250 VanDerWaalsContact O-N 3.15Å; D247-R250 WeakPolarHBondContact OD1-CD 3.44Å; D247-R250 IonicContact OD1-CZ 3.31Å; D247-R250 IonicContact OD1-NE 3.16Å; D247-R250 IonicContact OD1-NH1 2.67Å; D247-R250 PolarHBondContact OD1-NH1 3.07Å; A248-R250 PolarHBondContact O-N 2.88Å; A248-R250 VanDerWaalsContact O-N 3.16Å
251F95.3Very high94.7Very high38 Ų3847.8 Ų47.817%0.16725%0.252CS..THydrogen-bonded Turntrans-91.1-4.4-168.6-57.1-85.3000114.4L73 R80 L81 L84 D247 A248 L249L73-F251 HydrophobicContact CD1-CZ 4.5Å; L73-F251 HydrophobicContact CD2-CE1 4.21Å; L73-F251 HydrophobicContact CD2-CZ 3.65Å; R80-F251 VanDerWaalsContact CZ-O 3.28Å; R80-F251 PolarHBondContact NE-O 3.34Å; R80-F251 PolarHBondContact NH2-O 3.41Å; L81-F251 HydrophobicContact CD1-CD1 4.45Å; L81-F251 HydrophobicContact CD1-CE1 3.64Å; L81-F251 HydrophobicContact CD1-CZ 3.93Å; L81-F251 HydrophobicContact CD2-CD1 3.68Å; L81-F251 HydrophobicContact CD2-CE1 3.71Å; L81-F251 HydrophobicContact CD2-CG 4.31Å; L81-F251 HydrophobicContact CD2-CZ 4.35Å; L81-F251 HydrophobicContact CG-CD1 3.89Å; L81-F251 HydrophobicContact CG-CE1 3.51Å; L81-F251 HydrophobicContact CG-CZ 4.27Å; L84-F251 WeakPolarHBondContact CD1-O 3.28Å; D247-F251 WeakPolarHBondContact O-CD2 3.42Å; D247-F251 WeakPolarHBondContact O-CE2 3.32Å; A248-F251 PolarHBondContact O-N 3.23Å; L249-F251 PolarHBondContact O-N 2.89Å
252V95.1Very high93.4Very high26 Ų2646 Ų4616%0.15824%0.243CC..  trans-84.5148.3177-55.90000110.9K87 L249 V255 V258K87-V252 WeakPolarHBondContact CE-O 3.35Å; K87-V252 PolarHBondContact NZ-O 2.97Å; L249-V252 HydrophobicContact CD2-CG2 4.17Å; L249-V252 WeakPolarHBondContact O-CG2 3.27Å; V252-V255 HydrophobicContact CG2-CG1 4.1Å; V252-V258 HydrophobicContact CG1-CG2 3.84Å
253N95.1Very high91.6Very high113 Ų11347.4 Ų47.460%0.60425%0.252SS*.SBendtrans-71.1-43.1177.6-66.34.6000110.6L84L84-N253 VanDerWaalsContact CD2-OD1 3.3Å; L84-N253 WeakPolarHBondContact CD2-OD1 3.37Å
254D96.8Very high89.6Confident45 Ų4550.5 Ų50.524%0.24128%0.278CS..  trans-129.2117.7179.8-173.4-30.9000108.5G205 R256 S257G205-D254 VanDerWaalsContact CA-OD1 3.28Å; G205-D254 WeakPolarHBondContact CA-OD1 3.12Å; G205-D254 WeakPolarHBondContact O-CA 3.4Å; D254-R256 PolarHBondContact O-N 3.4Å; D254-R256 WeakPolarHBondContact OD1-CB 3.39Å; D254-R256 VanDerWaalsContact OD1-CG 3.31Å; D254-R256 WeakPolarHBondContact OD1-CG 3.48Å; D254-R256 IonicContact OD1-CZ 3.18Å; D254-R256 PolarHBondContact OD1-N 2.94Å; D254-R256 IonicContact OD1-NE 3.55Å; D254-R256 PolarHBondContact OD1-NE 3.41Å; D254-R256 IonicContact OD1-NH2 2.75Å; D254-R256 IonicContact OD2-CZ 2.64Å; D254-R256 VanDerWaalsContact OD2-CZ 3.31Å; D254-R256 IonicContact OD2-NE 2.71Å; D254-R256 PolarHBondContact OD2-NE 2.86Å; D254-R256 VanDerWaalsContact OD2-NE 3.16Å; D254-R256 IonicContact OD2-NH2 3.95Å; D254-R256 PolarHBondContact OD2-NH2 3.37Å; D254-S257 WeakPolarHBondContact O-CB 3.32Å; D254-S257 PolarHBondContact O-N 2.97Å; D254-S257 PolarHBondContact O-OG 3.39Å
255V97.3Very high87.4Confident0 Ų051.9 Ų51.90%028%0.28CS..THydrogen-bonded Turntrans-60-29.2-178.6-63.10000112.9K87 G205 V207 L208 V252 S257 V258 L259K87-V255 HydrophobicContact CD-CG1 3.52Å; G205-V255 PolarHBondContact O-N 3.01Å; V207-V255 WeakPolarHBondContact O-CG2 3.48Å; L208-V255 HydrophobicContact CB-CG2 4.3Å; L208-V255 HydrophobicContact CD2-CG1 4.14Å; V252-V255 HydrophobicContact CG2-CG1 4.1Å; V255-S257 PolarHBondContact O-N 3.5Å; V255-V258 PolarHBondContact O-N 3.43Å; V255-V258 VanDerWaalsContact O-N 3.12Å; V255-L259 HydrophobicContact CB-CD1 4.04Å; V255-L259 HydrophobicContact CG2-CD1 4.13Å; V255-L259 WeakPolarHBondContact O-CG 3.34Å; V255-L259 PolarHBondContact O-N 3.47Å
256R96.5Very high84.9Confident74 Ų7453.2 Ų53.228%0.27929%0.288SS..Hα-helixtrans-65.9-28.8-178.8-56.1173.3-67.9174.20.2111.9E222 N223 D254 V258 L259 A260E222-R256 HydrophobicContact CB-CB 4.13Å; E222-R256 HydrophobicContact CB-CG 4.19Å; E222-R256 WeakPolarHBondContact O-CA 3.46Å; N223-R256 WeakPolarHBondContact OD1-CD 3.49Å; D254-R256 PolarHBondContact O-N 3.4Å; D254-R256 WeakPolarHBondContact OD1-CB 3.39Å; D254-R256 VanDerWaalsContact OD1-CG 3.31Å; D254-R256 WeakPolarHBondContact OD1-CG 3.48Å; D254-R256 IonicContact OD1-CZ 3.18Å; D254-R256 PolarHBondContact OD1-N 2.94Å; D254-R256 IonicContact OD1-NE 3.55Å; D254-R256 PolarHBondContact OD1-NE 3.41Å; D254-R256 IonicContact OD1-NH2 2.75Å; D254-R256 IonicContact OD2-CZ 2.64Å; D254-R256 VanDerWaalsContact OD2-CZ 3.31Å; D254-R256 IonicContact OD2-NE 2.71Å; D254-R256 PolarHBondContact OD2-NE 2.86Å; D254-R256 VanDerWaalsContact OD2-NE 3.16Å; D254-R256 IonicContact OD2-NH2 3.95Å; D254-R256 PolarHBondContact OD2-NH2 3.37Å; R256-V258 PolarHBondContact O-N 3.44Å; R256-V258 VanDerWaalsContact O-N 3.09Å; R256-L259 PolarHBondContact O-N 3.04Å; R256-A260 WeakPolarHBondContact O-CB 3.44Å; R256-A260 PolarHBondContact O-N 3.2Å
257S95.1Very high82.7Confident68 Ų6856.4 Ų56.448%0.47631%0.311SS..Hα-helixtrans-59-24.117670.30000113.5D254 V255D254-S257 WeakPolarHBondContact O-CB 3.32Å; D254-S257 PolarHBondContact O-N 2.97Å; D254-S257 PolarHBondContact O-OG 3.39Å; V255-S257 PolarHBondContact O-N 3.5Å
258V94.9Very high80.1Confident41 Ų4158.2 Ų58.225%0.24833%0.326CS..Hα-helixtrans-102.4-49.5174.8179.30000110.6F245 L249 V252 V255 R256 A260 R261F245-V258 HydrophobicContact CE2-CG1 3.75Å; F245-V258 HydrophobicContact CZ-CG1 3.9Å; L249-V258 HydrophobicContact CD2-CB 3.77Å; L249-V258 HydrophobicContact CD2-CG1 3.88Å; L249-V258 HydrophobicContact CD2-CG2 4.21Å; V252-V258 HydrophobicContact CG1-CG2 3.84Å; V255-V258 PolarHBondContact O-N 3.43Å; V255-V258 VanDerWaalsContact O-N 3.12Å; R256-V258 PolarHBondContact O-N 3.44Å; R256-V258 VanDerWaalsContact O-N 3.09Å; V258-A260 PolarHBondContact O-N 2.85Å; V258-R261 WeakPolarHBondContact O-CB 3.48Å; V258-R261 PolarHBondContact O-N 2.96Å; V258-R261 VanDerWaalsContact O-N 3.16Å
259L95.2Very high77.5Confident0 Ų064.7 Ų64.70%034%0.34CS..Hα-helixtrans-65.4-33.9-173.3-69.5177.3000113.5L208 E222 I225 F245 L249 V255 R256 R261 N262L208-L259 HydrophobicContact CB-CD1 3.94Å; E222-L259 WeakPolarHBondContact O-CB 3.38Å; I225-L259 HydrophobicContact CD1-CD2 4.28Å; I225-L259 HydrophobicContact CG1-CD1 4.47Å; I225-L259 HydrophobicContact CG1-CD2 3.62Å; F245-L259 HydrophobicContact CE1-CD2 3.64Å; F245-L259 HydrophobicContact CZ-CD2 3.78Å; L249-L259 HydrophobicContact CD1-CD2 4.02Å; L249-L259 HydrophobicContact CD1-CG 4.39Å; V255-L259 HydrophobicContact CB-CD1 4.04Å; V255-L259 HydrophobicContact CG2-CD1 4.13Å; V255-L259 WeakPolarHBondContact O-CG 3.34Å; V255-L259 PolarHBondContact O-N 3.47Å; R256-L259 PolarHBondContact O-N 3.04Å; L259-R261 PolarHBondContact O-N 3.46Å; L259-R261 VanDerWaalsContact O-N 3.09Å; L259-N262 WeakPolarHBondContact O-CB 3.47Å; L259-N262 PolarHBondContact O-N 3.37Å
260A89.7Confident74.9Confident33 Ų3372.9 Ų72.927%0.27338%0.378SS..Hα-helixtrans-59.3-24.6176.500000113E222 R256 V258 N262 V263E222-A260 HydrophobicContact CB-CB 4.08Å; E222-A260 HydrophobicContact CG-CB 3.83Å; R256-A260 WeakPolarHBondContact O-CB 3.44Å; R256-A260 PolarHBondContact O-N 3.2Å; V258-A260 PolarHBondContact O-N 2.85Å; A260-N262 VanDerWaalsContact C-N 3.3Å; A260-N262 PolarHBondContact O-N 2.96Å; A260-V263 PolarHBondContact O-N 3.21Å
261R81.1Confident72.1Confident189 Ų18978.3 Ų78.371%0.71342%0.422SS*.Hα-helixtrans-71.4-24.6177.3-60.2-178.8178174.8-1.6112.9V258 L259V258-R261 WeakPolarHBondContact O-CB 3.48Å; V258-R261 PolarHBondContact O-N 2.96Å; V258-R261 VanDerWaalsContact O-N 3.16Å; L259-R261 PolarHBondContact O-N 3.46Å; L259-R261 VanDerWaalsContact O-N 3.09Å
262N66.7Low70.9Confident55 Ų5580.3 Ų80.329%0.29443%0.434SS..Hα-helixtrans-74.1-30.2177.3-70.7-17000112L259 A260 I265 M266L259-N262 WeakPolarHBondContact O-CB 3.47Å; L259-N262 PolarHBondContact O-N 3.37Å; A260-N262 VanDerWaalsContact C-N 3.3Å; A260-N262 PolarHBondContact O-N 2.96Å; N262-I265 PolarHBondContact O-N 3.48Å; N262-M266 HydrophobicContact CB-CE 4.43Å
263V60Low69.7Low52 Ų5283.2 Ų83.232%0.31545%0.449SS..Hα-helixtrans-67.8-40.6-177.1-176.20000111.5P221 A260 I265 M266 S267P221-V263 HydrophobicContact CB-CG2 4.36Å; P221-V263 WeakPolarHBondContact O-CG2 3.48Å; A260-V263 PolarHBondContact O-N 3.21Å; V263-I265 PolarHBondContact O-N 3.17Å; V263-I265 VanDerWaalsContact O-N 3.15Å; V263-M266 PolarHBondContact O-N 3.13Å; V263-S267 PolarHBondContact O-N 2.87Å; V263-S267 PolarHBondContact O-OG 3.4Å
264A53.7Low68.3Low66 Ų6681.5 Ų81.555%0.54544%0.44SS..Hα-helixtrans-57.4-32.3-179.800000112.8S267A264-S267 PolarHBondContact O-OG 3.17Å; A264-S267 VanDerWaalsContact O-OG 3.07Å
265I48.6Very low66.6Low100 Ų10083.6 Ų83.651%0.51345%0.452SS..Hα-helixtrans-74-43.5177.8-61.1174.7000110.4N262 V263 S268 Y269N262-I265 PolarHBondContact O-N 3.48Å; V263-I265 PolarHBondContact O-N 3.17Å; V263-I265 VanDerWaalsContact O-N 3.15Å; I265-S268 PolarHBondContact O-N 3.25Å; I265-S268 PolarHBondContact O-OG 3.42Å; I265-Y269 HydrophobicContact CG2-CD2 4.42Å; I265-Y269 HydrophobicContact CG2-CE2 3.92Å; I265-Y269 VanDerWaalsContact O-CD2 3.26Å; I265-Y269 WeakPolarHBondContact O-CD2 3.2Å
266M43.7Very low64.7Low87 Ų8788.9 Ų88.943%0.42948%0.48SS..Hα-helixtrans-69.3-36.2-179.2-82.5166.8-123.700114P226 N262 V263 S268 Y269P226-M266 HydrophobicContact CB-CE 4.45Å; P226-M266 HydrophobicContact CB-SD 4.25Å; P226-M266 HydrophobicContact CG-CE 3.31Å; P226-M266 HydrophobicContact CG-SD 3.59Å; P226-M266 VanDerWaalsContact CG-SD 3.59Å; N262-M266 HydrophobicContact CB-CE 4.43Å; V263-M266 PolarHBondContact O-N 3.13Å; M266-S268 PolarHBondContact O-N 3.11Å; M266-Y269 PolarHBondContact O-N 3.01Å; M266-Y269 VanDerWaalsContact O-N 3.1Å
267S49.6Very low62.5Low69 Ų6989.9 Ų89.948%0.48349%0.494SS..Hα-helixtrans-61-29.2174.345.20000112.4V263 A264 Y269 Q270V263-S267 PolarHBondContact O-N 2.87Å; V263-S267 PolarHBondContact O-OG 3.4Å; A264-S267 PolarHBondContact O-OG 3.17Å; A264-S267 VanDerWaalsContact O-OG 3.07Å; S267-Y269 VanDerWaalsContact C-N 3.26Å; S267-Y269 PolarHBondContact O-N 3.47Å; S267-Q270 PolarHBondContact O-N 2.85Å
268S40.8Very low60.2Low70 Ų7091.4 Ų91.449%0.4950%0.495SS..THydrogen-bonded Turntrans-73.4-15.7178.276.80000114.1I265 M266I265-S268 PolarHBondContact O-N 3.25Å; I265-S268 PolarHBondContact O-OG 3.42Å; M266-S268 PolarHBondContact O-N 3.11Å
269Y41.4Very low57.5Low191 Ų19195.3 Ų95.375%0.74951%0.514SS*.THydrogen-bonded Turntrans-93-7.5175.3-75-73.8000113.6I265 M266 S267I265-Y269 HydrophobicContact CG2-CD2 4.42Å; I265-Y269 HydrophobicContact CG2-CE2 3.92Å; I265-Y269 VanDerWaalsContact O-CD2 3.26Å; I265-Y269 WeakPolarHBondContact O-CD2 3.2Å; M266-Y269 PolarHBondContact O-N 3.01Å; M266-Y269 VanDerWaalsContact O-N 3.1Å; S267-Y269 VanDerWaalsContact C-N 3.26Å; S267-Y269 PolarHBondContact O-N 3.47Å
270Q41.2Very low54.4Low175 Ų175103.3 Ų103.382%0.81856%0.557SS**  trans-107.6-3.1-178.7-68.6-169.6-23.400114.2S267S267-Q270 PolarHBondContact O-N 2.85Å
271S36.5Very low51.2Low152 Ų152109.6 Ų109.6100%1.06358%0.583SS**  trans-96.60170.561.10000111.4

Retrieved 271 of 271 residues in 89.6 ms (Link to these results)

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