A0A087Y946_POEFO Loading...

Zinc finger and SCAN domain-containing protein 2-like

AlphaFold DB , UniProt , Accession A0A087Y946, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 282 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
1M53.7Low74.3Confident239 Ų239134.4 Ų134.4100%1.17765%0.654SS**  063.40-70.3-165.9-179.800111.1
2L57.3Low75.4Confident131 Ų131132.8 Ų132.869%0.68665%0.65SS**  trans-122.4-8.8176.6-73.5159.9000116.7L4L2-L4 PolarHBondContact O-N 3.39Å
3P73.3Confident76.6Confident101 Ų101127.5 Ų127.566%0.65663%0.634SS**Hα-helixtrans-68.4-35.9-175.5-3.99000114.8R5 V6 F7P3-R5 PolarHBondContact O-N 2.7Å; P3-V6 PolarHBondContact O-N 3.14Å; P3-F7 PolarHBondContact O-N 3.06Å; P3-F7 VanDerWaalsContact O-N 3.15Å
4L70.4Confident77.5Confident137 Ų137122.4 Ų122.472%0.71762%0.622SS**Hα-helixtrans-66.9-34.9-176.1-79.4158.1000112.9L2 L8L2-L4 PolarHBondContact O-N 3.39Å; L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 WeakPolarHBondContact O-CD1 3.33Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.46Å
5R77.5Confident78.5Confident195 Ų195119.3 Ų119.374%0.73661%0.612SS**Hα-helixtrans-68.6-40.7178.4-84.3-170.4171.5-171.1-2.4112.3P3 N9P3-R5 PolarHBondContact O-N 2.7Å; R5-N9 WeakPolarHBondContact O-CB 3.42Å; R5-N9 PolarHBondContact O-N 3.42Å
6V79.9Confident79.2Confident83 Ų83114.7 Ų114.750%0.50360%0.597SS.*Hα-helixtrans-65.6-46.5178.5-179.70000110P3 L8 N9 E10P3-V6 PolarHBondContact O-N 3.14Å; V6-L8 PolarHBondContact O-N 3.1Å; V6-N9 PolarHBondContact O-N 2.81Å; V6-E10 PolarHBondContact O-N 3.18Å
7F76.7Confident80Confident109 Ų109115.9 Ų115.948%0.47860%0.599SS.*Hα-helixtrans-61.7-40.9178.5-176.1-104.3000113.3P3 R11P3-F7 PolarHBondContact O-N 3.06Å; P3-F7 VanDerWaalsContact O-N 3.15Å; F7-R11 VanDerWaalsContact CE1-CD 3.48Å; F7-R11 HydrophobicContact CE1-CG 4.43Å; F7-R11 HydrophobicContact CZ-CG 4.4Å; F7-R11 WeakPolarHBondContact O-CG 3.37Å; F7-R11 PolarHBondContact O-N 2.91Å; F7-R11 VanDerWaalsContact O-N 3.16Å
8L78.8Confident80.8Confident94 Ų94117.8 Ų117.849%0.49260%0.604SS.*Hα-helixtrans-66.8-40.7176.3-73169000111.7L4 V6 R11 L12L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 WeakPolarHBondContact O-CD1 3.33Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.46Å; V6-L8 PolarHBondContact O-N 3.1Å; L8-R11 PolarHBondContact O-N 3.4Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.34Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 3.2Å
9N80.1Confident81.3Confident109 Ų109116.9 Ų116.958%0.58360%0.6SS**Hα-helixtrans-66.5-40.3178.2-79.5-7.4000112.6R5 V6 L12 S13R5-N9 WeakPolarHBondContact O-CB 3.42Å; R5-N9 PolarHBondContact O-N 3.42Å; V6-N9 PolarHBondContact O-N 2.81Å; N9-L12 PolarHBondContact O-N 3.01Å; N9-S13 WeakPolarHBondContact O-CB 3.29Å; N9-S13 PolarHBondContact O-N 3.17Å
10E84.1Confident81.9Confident123 Ų123116.2 Ų116.258%0.57560%0.597SS**Hα-helixtrans-62.8-42.9175-76176.3165.900111.5V6 S13 A14V6-E10 PolarHBondContact O-N 3.18Å; E10-S13 PolarHBondContact O-N 3.1Å; E10-A14 WeakPolarHBondContact O-CB 3.26Å; E10-A14 PolarHBondContact O-N 2.95Å
11R86Confident82.5Confident157 Ų157111.8 Ų111.859%0.59258%0.58SS**Hα-helixtrans-67-39.6176.5-71-172.169.4-170.42112.7F7 L8 S13 A14 V15F7-R11 VanDerWaalsContact CE1-CD 3.48Å; F7-R11 HydrophobicContact CE1-CG 4.43Å; F7-R11 HydrophobicContact CZ-CG 4.4Å; F7-R11 WeakPolarHBondContact O-CG 3.37Å; F7-R11 PolarHBondContact O-N 2.91Å; F7-R11 VanDerWaalsContact O-N 3.16Å; L8-R11 PolarHBondContact O-N 3.4Å; R11-S13 VanDerWaalsContact C-N 3.34Å; R11-A14 PolarHBondContact O-N 3.49Å; R11-V15 VanDerWaalsContact O-CG2 3.3Å; R11-V15 WeakPolarHBondContact O-CG2 3.44Å; R11-V15 PolarHBondContact O-N 2.85Å; R11-V15 VanDerWaalsContact O-N 3.1Å
12L87.1Confident84.2Confident115 Ų115102.9 Ų102.960%0.60254%0.544SS*.Hα-helixtrans-62.9-41.5174-82156.8000111.4L8 N9 V15 A16L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.34Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 3.2Å; N9-L12 PolarHBondContact O-N 3.01Å; L12-V15 PolarHBondContact O-N 3.43Å; L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 2.92Å
13S90.8Very high85.9Confident64 Ų64100.1 Ų100.145%0.44853%0.533SS..Hα-helixtrans-63.8-44.7176.7-166.30000111.9N9 E10 R11 V15 A16 E17N9-S13 WeakPolarHBondContact O-CB 3.29Å; N9-S13 PolarHBondContact O-N 3.17Å; E10-S13 PolarHBondContact O-N 3.1Å; R11-S13 VanDerWaalsContact C-N 3.34Å; S13-V15 PolarHBondContact O-N 3.1Å; S13-A16 WeakPolarHBondContact O-CB 3.47Å; S13-A16 PolarHBondContact O-N 3.34Å; S13-E17 PolarHBondContact O-N 3.47Å
14A89.2Confident86.8Confident56 Ų56101.7 Ų101.746%0.46353%0.531SS..Hα-helixtrans-62.6-42.8178.800000112.1E10 R11 A16 E17 E18E10-A14 WeakPolarHBondContact O-CB 3.26Å; E10-A14 PolarHBondContact O-N 2.95Å; R11-A14 PolarHBondContact O-N 3.49Å; A14-A16 VanDerWaalsContact C-N 3.31Å; A14-A16 PolarHBondContact O-N 3.41Å; A14-E17 PolarHBondContact O-N 3.32Å; A14-E18 PolarHBondContact O-N 2.87Å; A14-E18 VanDerWaalsContact O-N 3.08Å
15V91.9Very high87.9Confident77 Ų77102.6 Ų102.647%0.46753%0.529SS..Hα-helixtrans-65.2-37.1175.5173.20000111.1R11 L12 S13 E18 I19R11-V15 VanDerWaalsContact O-CG2 3.3Å; R11-V15 WeakPolarHBondContact O-CG2 3.44Å; R11-V15 PolarHBondContact O-N 2.85Å; R11-V15 VanDerWaalsContact O-N 3.1Å; L12-V15 PolarHBondContact O-N 3.43Å; S13-V15 PolarHBondContact O-N 3.1Å; V15-E18 PolarHBondContact O-N 3.4Å; V15-I19 HydrophobicContact CG1-CD1 3.79Å; V15-I19 HydrophobicContact CG1-CG1 4.44Å; V15-I19 VanDerWaalsContact O-CG1 3.26Å; V15-I19 WeakPolarHBondContact O-CG1 3.32Å; V15-I19 PolarHBondContact O-N 3.3Å
16A91.2Very high88.5Confident45 Ų4596.6 Ų96.637%0.37252%0.515SS..Hα-helixtrans-64.8-42.5176.900000112.4L12 S13 A14 I19 L20L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 2.92Å; S13-A16 WeakPolarHBondContact O-CB 3.47Å; S13-A16 PolarHBondContact O-N 3.34Å; A14-A16 VanDerWaalsContact C-N 3.31Å; A14-A16 PolarHBondContact O-N 3.41Å; A16-I19 PolarHBondContact O-N 3.15Å; A16-L20 WeakPolarHBondContact O-CB 3.49Å; A16-L20 VanDerWaalsContact O-CG 3.27Å; A16-L20 WeakPolarHBondContact O-CG 3.45Å; A16-L20 PolarHBondContact O-N 2.95Å
17E92.1Very high89.1Confident135 Ų13596.6 Ų96.663%0.63151%0.511SS*.Hα-helixtrans-65.6-37.9176.2-72-177.4175.600112.3S13 A14 L20 G21S13-E17 PolarHBondContact O-N 3.47Å; A14-E17 PolarHBondContact O-N 3.32Å; E17-L20 PolarHBondContact O-N 2.93Å; E17-G21 PolarHBondContact O-N 2.93Å
18E93.8Very high89.9Confident150 Ų15093.5 Ų93.570%0.70151%0.505SS*.Hα-helixtrans-63.5-44.7175.6-171.4177.2174.600111.7A14 V15 G21 A22A14-E18 PolarHBondContact O-N 2.87Å; A14-E18 VanDerWaalsContact O-N 3.08Å; V15-E18 PolarHBondContact O-N 3.4Å; E18-G21 PolarHBondContact O-N 3.33Å; E18-A22 WeakPolarHBondContact O-CB 3.31Å; E18-A22 PolarHBondContact O-N 3.18Å
19I90.9Very high90.5Very high101 Ų10193.4 Ų93.452%0.51851%0.509SS..Hα-helixtrans-64.6-45.6176.2-67.6166.6000110.7V15 A16 G21 A22 V23V15-I19 HydrophobicContact CG1-CD1 3.79Å; V15-I19 HydrophobicContact CG1-CG1 4.44Å; V15-I19 VanDerWaalsContact O-CG1 3.26Å; V15-I19 WeakPolarHBondContact O-CG1 3.32Å; V15-I19 PolarHBondContact O-N 3.3Å; A16-I19 PolarHBondContact O-N 3.15Å; I19-G21 VanDerWaalsContact C-N 3.35Å; I19-G21 PolarHBondContact O-N 3.39Å; I19-A22 PolarHBondContact O-N 3Å; I19-V23 HydrophobicContact CG2-CG2 4.42Å; I19-V23 WeakPolarHBondContact O-CG2 3.45Å; I19-V23 PolarHBondContact O-N 3.4Å
20L93.5Very high91Very high103 Ų10394.9 Ų94.954%0.53951%0.507SS..Hα-helixtrans-59-46.4177.7-78.4166.9000111.3A16 E17 A22 V23 E24A16-L20 WeakPolarHBondContact O-CB 3.49Å; A16-L20 VanDerWaalsContact O-CG 3.27Å; A16-L20 WeakPolarHBondContact O-CG 3.45Å; A16-L20 PolarHBondContact O-N 2.95Å; E17-L20 PolarHBondContact O-N 2.93Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 3.49Å; L20-V23 PolarHBondContact O-N 3.45Å; L20-E24 WeakPolarHBondContact O-CG 3.45Å; L20-E24 PolarHBondContact O-N 2.87Å
21G93.9Very high91.3Very high24 Ų2494.5 Ų94.525%0.24751%0.505CS..Hα-helixtrans-63.6-35.3177.300000113.3E17 E18 I19 K25E17-G21 PolarHBondContact O-N 2.93Å; E18-G21 PolarHBondContact O-N 3.33Å; I19-G21 VanDerWaalsContact C-N 3.35Å; I19-G21 PolarHBondContact O-N 3.39Å; G21-K25 VanDerWaalsContact O-CG 3.28Å; G21-K25 WeakPolarHBondContact O-CG 3.29Å; G21-K25 PolarHBondContact O-N 3.22Å; G21-K25 VanDerWaalsContact O-N 3.17Å
22A90.3Very high91.5Very high51 Ų5192.3 Ų92.342%0.42150%0.502SS..Hα-helixtrans-67.9-40.5174.600000111.9E18 I19 L20 T26E18-A22 WeakPolarHBondContact O-CB 3.31Å; E18-A22 PolarHBondContact O-N 3.18Å; I19-A22 PolarHBondContact O-N 3Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 3.49Å; A22-T26 WeakPolarHBondContact O-CB 3.45Å; A22-T26 PolarHBondContact O-N 2.76Å; A22-T26 PolarHBondContact O-OG1 3.22Å
23V92.3Very high91.8Very high74 Ų7492.2 Ų92.245%0.44850%0.498SS..Hα-helixtrans-65.4-45.6176.5171.10000111I19 L20 K25 T26 I27I19-V23 HydrophobicContact CG2-CG2 4.42Å; I19-V23 WeakPolarHBondContact O-CG2 3.45Å; I19-V23 PolarHBondContact O-N 3.4Å; L20-V23 PolarHBondContact O-N 3.45Å; V23-K25 PolarHBondContact O-N 3.45Å; V23-T26 WeakPolarHBondContact O-CB 3.05Å; V23-T26 PolarHBondContact O-N 3.41Å; V23-I27 HydrophobicContact CG1-CD1 3.74Å; V23-I27 HydrophobicContact CG1-CG1 4.33Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.39Å; V23-I27 PolarHBondContact O-N 3.04Å
24E92.9Very high91.7Very high134 Ų13493.5 Ų93.563%0.62650%0.499SS*.Hα-helixtrans-60.4-42.7178.2-74.4178.9163.700112.4L20 T26 I27 A28L20-E24 WeakPolarHBondContact O-CG 3.45Å; L20-E24 PolarHBondContact O-N 2.87Å; E24-T26 VanDerWaalsContact C-N 3.34Å; E24-T26 PolarHBondContact O-N 3.02Å; E24-I27 PolarHBondContact O-N 2.97Å; E24-A28 PolarHBondContact O-N 3.11Å
25K92.8Very high91.8Very high155 Ų15596 Ų9667%0.67450%0.504SS*.Hα-helixtrans-62.4-42.4175.1-72.8171.5-175.5176.70111.9G21 V23 A28 V29G21-K25 VanDerWaalsContact O-CG 3.28Å; G21-K25 WeakPolarHBondContact O-CG 3.29Å; G21-K25 PolarHBondContact O-N 3.22Å; G21-K25 VanDerWaalsContact O-N 3.17Å; V23-K25 PolarHBondContact O-N 3.45Å; K25-A28 PolarHBondContact O-N 3.16Å; K25-V29 WeakPolarHBondContact O-CG2 3.46Å; K25-V29 PolarHBondContact O-N 3.17Å
26T89.4Confident91.7Very high70 Ų70100.5 Ų100.543%0.42951%0.513SS..Hα-helixtrans-63.9-43.7178.2-56.10000110.8A22 V23 E24 A28 V29 Y30A22-T26 WeakPolarHBondContact O-CB 3.45Å; A22-T26 PolarHBondContact O-N 2.76Å; A22-T26 PolarHBondContact O-OG1 3.22Å; V23-T26 WeakPolarHBondContact O-CB 3.05Å; V23-T26 PolarHBondContact O-N 3.41Å; E24-T26 VanDerWaalsContact C-N 3.34Å; E24-T26 PolarHBondContact O-N 3.02Å; T26-A28 VanDerWaalsContact C-N 3.33Å; T26-A28 PolarHBondContact O-N 3.45Å; T26-V29 PolarHBondContact O-N 3.05Å; T26-Y30 HydrophobicContact CG2-CD2 3.77Å; T26-Y30 HydrophobicContact CG2-CE2 3.42Å; T26-Y30 VanDerWaalsContact CG2-CE2 3.42Å; T26-Y30 WeakPolarHBondContact O-CD2 3.38Å; T26-Y30 PolarHBondContact O-N 3.11Å; T26-Y30 VanDerWaalsContact O-N 3.07Å
27I93.4Very high91.6Very high83 Ų83102 Ų10243%0.42652%0.52SS..Hα-helixtrans-59.3-44.6174.4-70.2168000110.8V23 E24 V29 Y30 Q31V23-I27 HydrophobicContact CG1-CD1 3.74Å; V23-I27 HydrophobicContact CG1-CG1 4.33Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.39Å; V23-I27 PolarHBondContact O-N 3.04Å; E24-I27 PolarHBondContact O-N 2.97Å; I27-V29 PolarHBondContact O-N 3.1Å; I27-Y30 PolarHBondContact O-N 3.08Å; I27-Q31 HydrophobicContact CG2-CG 4.24Å; I27-Q31 WeakPolarHBondContact O-CB 3.46Å; I27-Q31 VanDerWaalsContact O-CG 3.28Å; I27-Q31 WeakPolarHBondContact O-CG 2.84Å; I27-Q31 PolarHBondContact O-N 3.04Å
28A92.9Very high91.5Very high43 Ų43101.1 Ų101.136%0.35552%0.515SS..Hα-helixtrans-61.3-42.8179.200000112.2E24 K25 T26 Q31 E32E24-A28 PolarHBondContact O-N 3.11Å; K25-A28 PolarHBondContact O-N 3.16Å; T26-A28 VanDerWaalsContact C-N 3.33Å; T26-A28 PolarHBondContact O-N 3.45Å; A28-Q31 PolarHBondContact O-N 3.06Å; A28-E32 PolarHBondContact O-N 2.66Å
29V92.6Very high91.4Very high93 Ų9398 Ų9856%0.56450%0.503SS*.Hα-helixtrans-61-48.3176.3172.50000111.1K25 T26 I27 Q31 E32 E33K25-V29 WeakPolarHBondContact O-CG2 3.46Å; K25-V29 PolarHBondContact O-N 3.17Å; T26-V29 PolarHBondContact O-N 3.05Å; I27-V29 PolarHBondContact O-N 3.1Å; V29-Q31 VanDerWaalsContact C-N 3.32Å; V29-Q31 PolarHBondContact O-N 3.32Å; V29-E32 PolarHBondContact O-N 3.27Å; V29-E33 PolarHBondContact O-N 2.99Å
30Y89.1Confident91.3Very high140 Ų14098.4 Ų98.455%0.54951%0.505SS..Hα-helixtrans-61.7-40.1176.9-77.7-61000112.3T26 I27 E33 I34T26-Y30 HydrophobicContact CG2-CD2 3.77Å; T26-Y30 HydrophobicContact CG2-CE2 3.42Å; T26-Y30 VanDerWaalsContact CG2-CE2 3.42Å; T26-Y30 WeakPolarHBondContact O-CD2 3.38Å; T26-Y30 PolarHBondContact O-N 3.11Å; T26-Y30 VanDerWaalsContact O-N 3.07Å; I27-Y30 PolarHBondContact O-N 3.08Å; Y30-E33 PolarHBondContact O-N 3.44Å; Y30-I34 WeakPolarHBondContact O-CB 3.47Å; Y30-I34 WeakPolarHBondContact O-CD1 3.41Å; Y30-I34 WeakPolarHBondContact O-CG1 3.32Å; Y30-I34 PolarHBondContact O-N 3.02Å
31Q90Very high91.3Very high115 Ų11599 Ų9954%0.53751%0.505SS..Hα-helixtrans-62.5-43.4176.5-76.2176-8.300111.9I27 A28 V29 I34 L35I27-Q31 HydrophobicContact CG2-CG 4.24Å; I27-Q31 WeakPolarHBondContact O-CB 3.46Å; I27-Q31 VanDerWaalsContact O-CG 3.28Å; I27-Q31 WeakPolarHBondContact O-CG 2.84Å; I27-Q31 PolarHBondContact O-N 3.04Å; A28-Q31 PolarHBondContact O-N 3.06Å; V29-Q31 VanDerWaalsContact C-N 3.32Å; V29-Q31 PolarHBondContact O-N 3.32Å; Q31-I34 PolarHBondContact O-N 3.42Å; Q31-L35 VanDerWaalsContact O-CG 3.29Å; Q31-L35 WeakPolarHBondContact O-CG 3.29Å; Q31-L35 PolarHBondContact O-N 3.48Å
32E91.5Very high91.3Very high110 Ų110101.4 Ų101.451%0.51451%0.512SS..Hα-helixtrans-63.4-41.6175.3-76.2-168.2-171.400112.3A28 V29 L35 R36A28-E32 PolarHBondContact O-N 2.66Å; V29-E32 PolarHBondContact O-N 3.27Å; E32-L35 PolarHBondContact O-N 2.9Å; E32-R36 WeakPolarHBondContact O-CG 3.31Å; E32-R36 PolarHBondContact O-N 3.27Å; E32-R36 IonicContact OE2-NH2 3.49Å; E32-R36 PolarHBondContact OE2-NH2 3.31Å
33E92.1Very high91.3Very high113 Ų113106.5 Ų106.553%0.52852%0.52SS..Hα-helixtrans-63.6-43.6177.9-173.4171.9-163.800111.7V29 Y30 L35 R36 S37V29-E33 PolarHBondContact O-N 2.99Å; Y30-E33 PolarHBondContact O-N 3.44Å; E33-L35 VanDerWaalsContact C-N 3.33Å; E33-L35 PolarHBondContact O-N 3.05Å; E33-R36 PolarHBondContact O-N 2.87Å; E33-S37 WeakPolarHBondContact O-CB 3.46Å; E33-S37 PolarHBondContact O-N 3.29Å
34I89.3Confident91.2Very high91 Ų91108 Ų10847%0.46752%0.522SS..Hα-helixtrans-59.8-44.1173.7-69.3164.6000110.8Y30 Q31 S37 K38Y30-I34 WeakPolarHBondContact O-CB 3.47Å; Y30-I34 WeakPolarHBondContact O-CD1 3.41Å; Y30-I34 WeakPolarHBondContact O-CG1 3.32Å; Y30-I34 PolarHBondContact O-N 3.02Å; Q31-I34 PolarHBondContact O-N 3.42Å; I34-S37 PolarHBondContact O-N 3.4Å; I34-K38 HydrophobicContact CG2-CD 4.18Å; I34-K38 WeakPolarHBondContact O-CG 3.46Å; I34-K38 PolarHBondContact O-N 3.15Å
35L91Very high91.2Very high109 Ų109106.1 Ų106.157%0.57152%0.516SS*.Hα-helixtrans-63.7-43.2177.4-72.9171.1000111.6Q31 E32 E33 S37 K38 D39Q31-L35 VanDerWaalsContact O-CG 3.29Å; Q31-L35 WeakPolarHBondContact O-CG 3.29Å; Q31-L35 PolarHBondContact O-N 3.48Å; E32-L35 PolarHBondContact O-N 2.9Å; E33-L35 VanDerWaalsContact C-N 3.33Å; E33-L35 PolarHBondContact O-N 3.05Å; L35-S37 PolarHBondContact O-N 2.82Å; L35-K38 PolarHBondContact O-N 3.01Å; L35-D39 WeakPolarHBondContact O-CB 3.35Å; L35-D39 PolarHBondContact O-N 3.42Å
36R91.4Very high91.1Very high172 Ų172106.6 Ų106.665%0.64951%0.513SS*.Hα-helixtrans-62-41.9176-73.1177.6-166.3-166.18.2112.2E32 E33 D39 L40E32-R36 WeakPolarHBondContact O-CG 3.31Å; E32-R36 PolarHBondContact O-N 3.27Å; E32-R36 IonicContact OE2-NH2 3.49Å; E32-R36 PolarHBondContact OE2-NH2 3.31Å; E33-R36 PolarHBondContact O-N 2.87Å; R36-D39 PolarHBondContact O-N 3.48Å; R36-L40 PolarHBondContact O-N 3.32Å
37S88.6Confident91.1Very high76 Ų76108.8 Ų108.853%0.53152%0.52SS..Hα-helixtrans-61.4-49.4177-179.60000111.4E33 I34 L35 D39 L40 E41E33-S37 WeakPolarHBondContact O-CB 3.46Å; E33-S37 PolarHBondContact O-N 3.29Å; I34-S37 PolarHBondContact O-N 3.4Å; L35-S37 PolarHBondContact O-N 2.82Å; S37-D39 VanDerWaalsContact C-N 3.34Å; S37-D39 PolarHBondContact O-N 2.8Å; S37-L40 WeakPolarHBondContact O-CB 3.25Å; S37-L40 PolarHBondContact O-N 2.83Å; S37-L40 VanDerWaalsContact O-N 3.15Å; S37-E41 PolarHBondContact O-N 2.85Å
38K88.9Confident90.9Very high117 Ų117109.1 Ų109.151%0.50952%0.52SS..Hα-helixtrans-61.4-40176.4-72.2178.2178.8179.20112.5I34 L35 L40 E41 I42I34-K38 HydrophobicContact CG2-CD 4.18Å; I34-K38 WeakPolarHBondContact O-CG 3.46Å; I34-K38 PolarHBondContact O-N 3.15Å; L35-K38 PolarHBondContact O-N 3.01Å; K38-L40 VanDerWaalsContact C-N 3.31Å; K38-L40 PolarHBondContact O-N 3.4Å; K38-E41 PolarHBondContact O-N 2.99Å; K38-I42 VanDerWaalsContact O-CG1 3.26Å; K38-I42 WeakPolarHBondContact O-CG1 3.04Å; K38-I42 PolarHBondContact O-N 3.23Å
39D91.9Very high90.8Very high85 Ų85111.6 Ų111.646%0.45553%0.527SS..Hα-helixtrans-62.8-37.7175.9-90.8-5.3000112.5L35 R36 S37 R43L35-D39 WeakPolarHBondContact O-CB 3.35Å; L35-D39 PolarHBondContact O-N 3.42Å; R36-D39 PolarHBondContact O-N 3.48Å; S37-D39 VanDerWaalsContact C-N 3.34Å; S37-D39 PolarHBondContact O-N 2.8Å; D39-R43 WeakPolarHBondContact O-CG 3.27Å; D39-R43 PolarHBondContact O-N 2.8Å
40L90.1Very high90.5Very high108 Ų108114.8 Ų114.857%0.56553%0.533SS*.Hα-helixtrans-67-43.9176.2-174.963.4000111.1R36 S37 K38 I42 R43 Q44R36-L40 PolarHBondContact O-N 3.32Å; S37-L40 WeakPolarHBondContact O-CB 3.25Å; S37-L40 PolarHBondContact O-N 2.83Å; S37-L40 VanDerWaalsContact O-N 3.15Å; K38-L40 VanDerWaalsContact C-N 3.31Å; K38-L40 PolarHBondContact O-N 3.4Å; L40-I42 PolarHBondContact O-N 3.42Å; L40-R43 WeakPolarHBondContact O-CB 2.85Å; L40-R43 PolarHBondContact O-N 3.46Å; L40-Q44 WeakPolarHBondContact O-CB 3.36Å; L40-Q44 PolarHBondContact O-N 2.73Å
41E93.3Very high90.3Very high117 Ų117114 Ų11455%0.54754%0.537SS..Hα-helixtrans-60.3-45.4176-171.7176.1-161.700111.3S37 K38 R43 Q44 L45S37-E41 PolarHBondContact O-N 2.85Å; K38-E41 PolarHBondContact O-N 2.99Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 2.93Å; E41-Q44 PolarHBondContact O-N 3.11Å; E41-L45 HydrophobicContact CG-CD1 4.22Å; E41-L45 WeakPolarHBondContact O-CB 3.33Å; E41-L45 WeakPolarHBondContact O-CG 3.19Å; E41-L45 PolarHBondContact O-N 3.14Å
42I93Very high89.7Confident74 Ų74115.2 Ų115.238%0.37955%0.547SS..Hα-helixtrans-60-42174.8-69.5166.3000111.1K38 L40 R46K38-I42 VanDerWaalsContact O-CG1 3.26Å; K38-I42 WeakPolarHBondContact O-CG1 3.04Å; K38-I42 PolarHBondContact O-N 3.23Å; L40-I42 PolarHBondContact O-N 3.42Å; I42-R46 WeakPolarHBondContact O-CB 3.28Å; I42-R46 VanDerWaalsContact O-CG 3.29Å; I42-R46 WeakPolarHBondContact O-CG 3.43Å; I42-R46 PolarHBondContact O-N 2.79Å
43R90.4Very high88.9Confident158 Ų158116.2 Ų116.260%0.59655%0.551SS**Hα-helixtrans-63.9-44176.1-76.2-179-135.9171.63.4111.8D39 L40 E41 R46 M47D39-R43 WeakPolarHBondContact O-CG 3.27Å; D39-R43 PolarHBondContact O-N 2.8Å; L40-R43 WeakPolarHBondContact O-CB 2.85Å; L40-R43 PolarHBondContact O-N 3.46Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 2.93Å; R43-R46 PolarHBondContact O-N 3.49Å; R43-M47 PolarHBondContact O-N 2.89Å
44Q90.8Very high87.6Confident105 Ų105114.8 Ų114.849%0.49155%0.554SS.*Hα-helixtrans-63-45.5178.7-177.8174.1-11.200111.2L40 E41 R46 M47 Q48L40-Q44 WeakPolarHBondContact O-CB 3.36Å; L40-Q44 PolarHBondContact O-N 2.73Å; E41-Q44 PolarHBondContact O-N 3.11Å; Q44-R46 PolarHBondContact O-N 3.29Å; Q44-M47 WeakPolarHBondContact O-CB 3.45Å; Q44-M47 PolarHBondContact O-N 3.41Å; Q44-M47 VanDerWaalsContact O-N 3.15Å; Q44-Q48 WeakPolarHBondContact O-CG 3.33Å; Q44-Q48 PolarHBondContact O-N 3.34Å
45L92.4Very high86Confident94 Ų94118.2 Ų118.249%0.49257%0.568SS.*Hα-helixtrans-61.5-42.4175.4-71.5172.6000111.6E41 M47 Q48 L49E41-L45 HydrophobicContact CG-CD1 4.22Å; E41-L45 WeakPolarHBondContact O-CB 3.33Å; E41-L45 WeakPolarHBondContact O-CG 3.19Å; E41-L45 PolarHBondContact O-N 3.14Å; L45-M47 VanDerWaalsContact C-N 3.3Å; L45-M47 PolarHBondContact O-N 2.96Å; L45-Q48 PolarHBondContact O-N 3.46Å; L45-L49 WeakPolarHBondContact O-CB 3.48Å; L45-L49 PolarHBondContact O-N 3.46Å
46R91.4Very high84.1Confident165 Ų165117.8 Ų117.862%0.62357%0.571SS**Hα-helixtrans-61.4-37.6173.8-76.6174.5-177.2165.24112.4I42 R43 Q44 L49 K50I42-R46 WeakPolarHBondContact O-CB 3.28Å; I42-R46 VanDerWaalsContact O-CG 3.29Å; I42-R46 WeakPolarHBondContact O-CG 3.43Å; I42-R46 PolarHBondContact O-N 2.79Å; R43-R46 PolarHBondContact O-N 3.49Å; Q44-R46 PolarHBondContact O-N 3.29Å; R46-L49 PolarHBondContact O-N 2.95Å; R46-K50 WeakPolarHBondContact O-CG 3.47Å; R46-K50 PolarHBondContact O-N 2.98Å; R46-K50 VanDerWaalsContact O-N 3.1Å
47M89.1Confident82.1Confident116 Ų116119.3 Ų119.357%0.57159%0.586SS**Hα-helixtrans-66.8-45.4176-172.517874.400111.3R43 Q44 L45 L49 K50 L51R43-M47 PolarHBondContact O-N 2.89Å; Q44-M47 WeakPolarHBondContact O-CB 3.45Å; Q44-M47 PolarHBondContact O-N 3.41Å; Q44-M47 VanDerWaalsContact O-N 3.15Å; L45-M47 VanDerWaalsContact C-N 3.3Å; L45-M47 PolarHBondContact O-N 2.96Å; M47-L49 VanDerWaalsContact C-N 3.3Å; M47-L49 PolarHBondContact O-N 3.35Å; M47-K50 WeakPolarHBondContact O-CB 3.43Å; M47-K50 PolarHBondContact O-N 3.26Å; M47-L51 PolarHBondContact O-N 2.77Å
48Q88.9Confident80.1Confident91 Ų91119.7 Ų119.743%0.42559%0.589SS.*Hα-helixtrans-60.8-40.7174.7-71.5178.8-11.400111.8Q44 L45 K50 L51 L52Q44-Q48 WeakPolarHBondContact O-CG 3.33Å; Q44-Q48 PolarHBondContact O-N 3.34Å; L45-Q48 PolarHBondContact O-N 3.46Å; Q48-K50 VanDerWaalsContact C-N 3.3Å; Q48-K50 PolarHBondContact O-N 3.24Å; Q48-L51 PolarHBondContact O-N 3.36Å; Q48-L51 VanDerWaalsContact O-N 3.17Å; Q48-L52 WeakPolarHBondContact O-CG 3.21Å; Q48-L52 PolarHBondContact O-N 3.11Å
49L90.3Very high77.9Confident95 Ų95121 Ų12150%0.49760%0.601SS.*Hα-helixtrans-61.9-37.5176.6-161.969.7000112L45 R46 M47 L52 H53L45-L49 WeakPolarHBondContact O-CB 3.48Å; L45-L49 PolarHBondContact O-N 3.46Å; R46-L49 PolarHBondContact O-N 2.95Å; M47-L49 VanDerWaalsContact C-N 3.3Å; M47-L49 PolarHBondContact O-N 3.35Å; L49-L52 PolarHBondContact O-N 3.18Å; L49-H53 WeakPolarHBondContact CD1-CE1 3.35Å; L49-H53 PolarHBondContact O-N 3.32Å; L49-H53 VanDerWaalsContact O-N 3.1Å; L49-H53 PolarHBondContact O-ND1 3.47Å
50K87.4Confident75.5Confident160 Ų160124.8 Ų124.870%0.69662%0.621SS**Hα-helixtrans-66.5-36.5174.9-74176.4-179.4-175.70112.7R46 M47 Q48 L52 H53 S54R46-K50 WeakPolarHBondContact O-CG 3.47Å; R46-K50 PolarHBondContact O-N 2.98Å; R46-K50 VanDerWaalsContact O-N 3.1Å; M47-K50 WeakPolarHBondContact O-CB 3.43Å; M47-K50 PolarHBondContact O-N 3.26Å; Q48-K50 VanDerWaalsContact C-N 3.3Å; Q48-K50 PolarHBondContact O-N 3.24Å; K50-L52 VanDerWaalsContact C-N 3.35Å; K50-H53 PolarHBondContact O-N 3.25Å; K50-S54 PolarHBondContact O-N 3.47Å
51L84.9Confident73.4Confident122 Ų122129.4 Ų129.464%0.63963%0.633SS**Hα-helixtrans-71.6-30.4176.9-65.9171.9000112.4M47 Q48 S54M47-L51 PolarHBondContact O-N 2.77Å; Q48-L51 PolarHBondContact O-N 3.36Å; Q48-L51 VanDerWaalsContact O-N 3.17Å; L51-S54 PolarHBondContact O-OG 3.11Å; L51-S54 VanDerWaalsContact O-OG 3.1Å
52L77.3Confident71.3Confident142 Ų142131 Ų13174%0.74364%0.644SS**Hα-helixtrans-77-27.6175.4-70.6169.4000112.7Q48 L49 K50Q48-L52 WeakPolarHBondContact O-CG 3.21Å; Q48-L52 PolarHBondContact O-N 3.11Å; L49-L52 PolarHBondContact O-N 3.18Å; K50-L52 VanDerWaalsContact C-N 3.35Å
53H75.3Confident68.7Low131 Ų131137 Ų13761%0.60667%0.671SS**SBendtrans-102.78.8179.6-62.5115000114.2L49 K50 E55L49-H53 WeakPolarHBondContact CD1-CE1 3.35Å; L49-H53 PolarHBondContact O-N 3.32Å; L49-H53 VanDerWaalsContact O-N 3.1Å; L49-H53 PolarHBondContact O-ND1 3.47Å; K50-H53 PolarHBondContact O-N 3.25Å; H53-E55 PolarHBondContact O-N 3.28Å
54S64.5Low66.8Low82 Ų82134.4 Ų134.457%0.57368%0.677SS**  trans-72.785.3163.759.60000107.8K50 L51K50-S54 PolarHBondContact O-N 3.47Å; L51-S54 PolarHBondContact O-OG 3.11Å; L51-S54 VanDerWaalsContact O-OG 3.1Å
55E56.3Low64.5Low164 Ų164138.2 Ų138.277%0.76670%0.695SS**  trans-50133.1165-70-88.6126.600108.1H53 E57H53-E55 PolarHBondContact O-N 3.28Å; E55-E57 PolarHBondContact O-N 3.11Å; E55-E57 VanDerWaalsContact O-N 3.14Å
56P49.5Very low62.4Low99 Ų99143 Ų14364%0.64371%0.714SS**  trans-61.6120.5164.726.9-29.8000106.4S58P56-S58 PolarHBondContact O-N 2.81Å; P56-S58 PolarHBondContact O-OG 3.41Å
57E50.5Low59.8Low204 Ų204142.2 Ų142.295%0.95372%0.722SS**  trans-5991.2159.5-70.6-162.3164.700106.6E55E55-E57 PolarHBondContact O-N 3.11Å; E55-E57 VanDerWaalsContact O-N 3.14Å
58S46.2Very low57.5Low85 Ų85145 Ų14559%0.59473%0.733SS**  trans-89.5120176.4390000107.2P56P56-S58 PolarHBondContact O-N 2.81Å; P56-S58 PolarHBondContact O-OG 3.41Å
59D42.3Very low55.1Low144 Ų144146.1 Ų146.177%0.7775%0.751SS**  trans6395.5147.4-51.2-30.9000117.6
60N41.5Very low52.7Low164 Ų164147.5 Ų147.588%0.87777%0.766SS**  trans-108.578.5131.3-158.2-20.8000109
61Y46.6Very low50.5Low206 Ų206145.5 Ų145.581%0.80877%0.769SS**  trans-128.880.4163.6-161.7-90.6000108.3
62L49.2Very low49.3Very low150 Ų150145.1 Ų145.179%0.78577%0.774SS**  trans-166.489146.6-130.988000109.9
63E37.8Very low47.6Very low200 Ų200144.3 Ų144.394%0.93578%0.777SS**  trans-156.693144.3-142.1139-157.500110.7
64S50.6Low45.6Very low104 Ų104143.3 Ų143.373%0.72779%0.785SS**  trans-104.2117.9163.2510000108
65E43.3Very low44.1Very low185 Ų185144.3 Ų144.386%0.86480%0.798SS**  173.7122.6128.4-93.7-177.8120.700111.5
66Q48.7Very low42.9Very low194 Ų194141.9 Ų141.991%0.90780%0.799SS**  trans-79.3128.7169.3-76.2168.6-41.900110.2
67L35.1Very low42.9Very low148 Ų148142.5 Ų142.578%0.77580%0.803SS**  trans-146.1108.1154.7-116.2111000112.1
68H40.4Very low42Very low174 Ų174137.7 Ų137.781%0.80679%0.792SS**  trans54.4119.9148.2-61.183.1000122
69S39.7Very low41.3Very low115 Ų115140 Ų14080%0.80480%0.802SS**  trans-68.9164.6164.2-41.40000113.4
70P39.7Very low41Very low124 Ų124141.5 Ų141.581%0.80581%0.805SS**  -141.716697.836.8-22.1000115.3
71P41.3Very low41Very low119 Ų119137.7 Ų137.777%0.77379%0.789SS**  trans-101.5-167.6-174.444.9-37.2000112.8
72P59.5Low40.2Very low114 Ų114135.1 Ų135.174%0.7478%0.784SS**  -109-168.6-102.134.4-13.6000113.3
73P42.1Very low39.4Very low125 Ų125135.8 Ų135.881%0.81278%0.783SS**  -141.3156.2112.534.6-19000116.6
74S33.7Very low39.1Very low110 Ų110131.5 Ų131.577%0.76978%0.775SS**  trans-46.2145.2174.652.70000118.7
75A31.9Very low39.1Very low103 Ų103132.1 Ų132.185%0.85178%0.777SS**  -165127.6124.600000111.1
76S30.9Very low39.2Very low113 Ų113129.3 Ų129.379%0.7977%0.774SS**  trans-81.2-166.1177.5-380000111.8
77P50.9Low38.3Very low111 Ų111124.3 Ų124.372%0.72177%0.766SS**  cis-130.7-168.6-41.724.5-2.5000111.9
78S29.7Very low38.1Very low104 Ų104124.4 Ų124.473%0.72777%0.773SS**  trans96.5133.3151.3-29.30000113.7
79V32.4Very low37.7Very low133 Ų133120.9 Ų120.981%0.80677%0.774SS**  cis-154.8131.424.6169.80000107.2
80Q36.2Very low37.2Very low176 Ų176119.6 Ų119.682%0.82277%0.77SS**  trans-84155.1151-94.4-154.2-17.300107.1
81P40.3Very low36.9Very low84 Ų84120.5 Ų120.555%0.54577%0.773SS.*  -166.9178.263.647-25.5000120.6
82H31.4Very low36.3Very low152 Ų152122.4 Ų122.470%0.70477%0.771SS**  trans74.4140146-64.5-37.2000117.8
83Q31.4Very low34.9Very low164 Ų164126.5 Ų126.577%0.76678%0.781SS**  cis-168.31548.5-107.1158.239.600108.1
84S31.7Very low34.4Very low109 Ų109127.2 Ų127.276%0.76277%0.773SS**  trans-106.4-170.9160.8-51.80000109.2
85P50.6Low34.3Very low118 Ų118131.4 Ų131.477%0.76678%0.781SS**  -109.2-160.2-84.138.1-19.1000110.7
86P45.2Very low34.5Very low125 Ų125133 Ų13381%0.81277%0.771SS**  -155.3179.379.938.7-15.8000117.1
87A31.1Very low34.7Very low89 Ų89134.6 Ų134.674%0.73677%0.765SS**  trans-83164.2177.600000115.1
88V31.1Very low33.7Very low151 Ų151137.4 Ų137.492%0.91577%0.769SS**  trans175.5151.5148.1-82.60000107.3
89A30.8Very low33.4Very low100 Ų100136.5 Ų136.583%0.82678%0.776SS**  cis-161.4164-3.800000108.4
90A29.3Very low33Very low88 Ų88134.1 Ų134.173%0.72778%0.779SS**  trans-89.1162179.100000114
91V32.5Very low32.7Very low142 Ų142135 Ų13586%0.86178%0.782SS**  trans-156.2107.1150.3-115.10000106
92H29.4Very low32Very low159 Ų159139.6 Ų139.674%0.73680%0.797SS**  51.8113.886.4-91.1-102.7000115.1
93E29.7Very low32Very low201 Ų201141.5 Ų141.594%0.93981%0.806SS**  -157128.3127.6-107.4173.4171.500110.4
94E33.1Very low31.9Very low139 Ų139140.5 Ų140.565%0.6581%0.806SS**  trans-79.4154.2168.1-76168.183.300109.6
95E30.8Very low32.1Very low199 Ų199143.2 Ų143.293%0.9381%0.807SS**  -161.7138121.9-109.5-17613300111.8
96Q35.3Very low31.5Very low137 Ų137143.2 Ų143.264%0.6480%0.804SS**  trans-95.9154.5175.9-59.3169.231.900108.4
97Q35Very low31Very low146 Ų146139.9 Ų139.968%0.68278%0.783SS**  172.7125110.4-136.180.938.400113.1
98Q31Very low31.1Very low169 Ų169140.2 Ų140.279%0.7978%0.779SS**  trans13.7135.2143.5-70.3148.3-8.400123.6
99G23.2Very low31.5Very low85 Ų85138.1 Ų138.188%0.87677%0.766SS**  115128.4109.700000118.4
100G23.9Very low31.7Very low84 Ų84138.8 Ų138.887%0.86676%0.756SS**  trans136.2120.6156.300000115.7
101E30Very low31.9Very low193 Ų193142.7 Ų142.790%0.90276%0.759SS**  trans-79.3144.1-176-60.9148.8160.900113.2
102E25.5Very low32.2Very low181 Ų181143.5 Ų143.585%0.84675%0.754SS**  -176.2120129.7-123.5171173.900109.2
103E31Very low32.6Very low193 Ų193142.5 Ų142.590%0.90275%0.753SS**  trans-9695.2-175.9-57.4178.9-163.300109.2E105E103-E105 PolarHBondContact O-N 3.41Å
104D29.2Very low33.2Very low143 Ų143138.3 Ų138.377%0.76574%0.743SS**  trans-84.9102.4169.4-80-37.6000109.6V106D104-V106 PolarHBondContact O-N 3.12Å
105E36.3Very low32.9Very low165 Ų165140.3 Ų140.377%0.77175%0.753SS**  trans-60.6100.6168.3-83.6-158.4140.100110.5E103 C107E103-E105 PolarHBondContact O-N 3.41Å; E105-C107 PolarHBondContact O-N 3.36Å
106V37.2Very low33.6Very low118 Ų118137 Ų13772%0.71575%0.746SS**  trans-74.9108168.5178.60000108.8D104 C108D104-V106 PolarHBondContact O-N 3.12Å; V106-C108 PolarHBondContact O-N 3.33Å
107C35.8Very low33.4Very low55 Ų55135.7 Ų135.737%0.37275%0.752SS.*  trans-66106.5175.4-77.40000110.5E105 V109 C208E105-C107 PolarHBondContact O-N 3.36Å; C107-V109 PolarHBondContact O-N 3.11Å; C107-C208 HydrophobicContact CB-CB 4.38Å; C107-C208 WeakPolarHBondContact CB-SG 3.25Å; C107-C208 WeakPolarHBondContact SG-CB 3.45Å; C107-C208 CovalentContact SG-SG 2.07Å; C107-C208 PolarHBondContact SG-SG 3.16Å
108C32.5Very low33.2Very low96 Ų96137.2 Ų137.265%0.64976%0.759SS**  trans-68.9119.4168.5-62.40000109.6V106V106-C108 PolarHBondContact O-N 3.33Å
109V39.3Very low33Very low107 Ų107134.9 Ų134.965%0.64876%0.756SS**  trans-90.7118.2160.4-178.90000106.1C107 Q111C107-V109 PolarHBondContact O-N 3.11Å; V109-Q111 PolarHBondContact O-N 2.72Å
110D35.9Very low33.5Very low114 Ų114140.1 Ų140.161%0.6176%0.755SS**  trans-50.1106.2177.5-60.7-64.5000110.7
111Q33.9Very low33.5Very low170 Ų170145.7 Ų145.779%0.79476%0.759SS**  trans-106111.6175.4-91.4-176.9-3.700112V109V109-Q111 PolarHBondContact O-N 2.72Å
112E39Very low33.6Very low160 Ų160145.8 Ų145.875%0.74876%0.756SS**  trans82.7119.9132.7-59.5-151.2119.200125.5
113L37.2Very low33.5Very low138 Ų138144.8 Ų144.872%0.72375%0.751SS**  trans73.2164.8131-66.7170.7000120.4
114P42.3Very low33.2Very low113 Ų113143.8 Ų143.873%0.73475%0.747SS**  cis-142.516616.740.3-18.7000120.3
115E26.1Very low33.1Very low180 Ų180145.7 Ų145.784%0.84175%0.751SS**  trans21135140.5-55.1-170.4138.700124.2
116T45.8Very low33.6Very low130 Ų130142.2 Ų142.280%0.79874%0.743SS**  trans-76.3148.7173.357.50000113.8
117S31.1Very low33.1Very low110 Ų110148.3 Ų148.377%0.76975%0.753SS**  trans-145.2114.2161.6-84.20000113.5
118Q31Very low32.5Very low178 Ų178149 Ų14983%0.83277%0.769SS**  trans33.8145134.6-37-172.22700119
119V25.8Very low32.2Very low119 Ų119152.3 Ų152.372%0.72178%0.78SS**  -169144.252.7179.30000110.4
120K35.2Very low31.9Very low196 Ų196151.4 Ų151.485%0.85278%0.784SS**  trans-1.5135.9158.1-56.6166.1-179.8171.90120.5
121E24.3Very low31.7Very low201 Ų201151.7 Ų151.794%0.93979%0.792SS**  trans-145.5135.3144.3-149.2166.9126.300112.1
122K30.7Very low31.7Very low194 Ų194153 Ų15384%0.84380%0.795SS**  trans-122.6112.2175.2177.6-171-176.2-172.80106.1
123Q23.7Very low31.3Very low161 Ų161156.4 Ų156.475%0.75280%0.801SS**  trans-176.6127.8135.8-107.3176.3-29.600114.2
124E25.5Very low31Very low172 Ų172157.5 Ų157.580%0.80480%0.802SS**  trans46.4122.2139.7-67.2171.794.700122.2
125Q26.8Very low30.4Very low183 Ų183160.4 Ų160.486%0.85580%0.803SS**  trans-79.1-174.3165.5-70.6-179.3-13.500112.1
126P46.8Very low30.5Very low92 Ų92162.2 Ų162.260%0.59780%0.803SS**  cis-133.7170.4-40.530.9-12.9000112.4
127R25.6Very low29.7Very low246 Ų246162.7 Ų162.793%0.92880%0.797SS**  trans160.6137.3130.6-92.3174.9-94.6-115.53.1112.6
128G24.2Very low30Very low69 Ų69164.2 Ų164.271%0.71180%0.796SS**  trans131.474.8154.800000116.8
129D26.9Very low29.8Very low166 Ų166163.8 Ų163.889%0.88879%0.793SS**  trans49.9115.6149.6-57.5-44000122.9
130A31.1Very low30Very low87 Ų87165.4 Ų165.472%0.71980%0.798SS**  trans-71.1166.1160.900000112.2
131P32.8Very low29.7Very low120 Ų120161.1 Ų161.178%0.77979%0.793SS**  -135.8123.610230.2-15000114.4
132K33Very low29.9Very low197 Ų197155.9 Ų155.986%0.85778%0.784SS**  trans13.8101146.2-58.5176.4-177.9178.60116.6
133R31.4Very low29.8Very low233 Ų233155 Ų15588%0.87978%0.782SS**  trans-87.9120.7160.7-63.3-173.383.2-152.14.9109.4F135R133-F135 PolarHBondContact O-N 2.88Å
134H31.8Very low30Very low161 Ų161154.8 Ų154.875%0.74579%0.787SS**  trans-58.7120.9169.5-9679.2000109.8
135F27.9Very low30.5Very low173 Ų173155.8 Ų155.876%0.75979%0.791SS**  trans-80.7109.6170.5-174.5-100.6000107.8R133 M137R133-F135 PolarHBondContact O-N 2.88Å; F135-M137 HydrophobicContact CD1-CE 4.37Å; F135-M137 HydrophobicContact CD1-CG 3.78Å; F135-M137 HydrophobicContact CE1-CE 4.46Å; F135-M137 HydrophobicContact CE1-CG 3.93Å; F135-M137 PolarHBondContact O-N 3.48Å
136W29.7Very low30.8Very low218 Ų218152.2 Ų152.283%0.82678%0.778SS**  trans-76.195.7176.4-65.1100.6000109.6I138W136-I138 PolarHBondContact O-N 3Å
137M29.1Very low29.8Very low140 Ų140154.6 Ų154.669%0.6979%0.786SS**  trans-66.9112.9162.5-70.5178169.800108.6F135F135-M137 HydrophobicContact CD1-CE 4.37Å; F135-M137 HydrophobicContact CD1-CG 3.78Å; F135-M137 HydrophobicContact CE1-CE 4.46Å; F135-M137 HydrophobicContact CE1-CG 3.93Å; F135-M137 PolarHBondContact O-N 3.48Å
138I35.7Very low30.4Very low142 Ų142149 Ų14973%0.72878%0.781SS**  trans-92.2105.9160.8-59-72.6000105.9W136W136-I138 PolarHBondContact O-N 3Å
139H28.7Very low30.6Very low169 Ų169154.3 Ų154.378%0.78279%0.788SS**  trans-70.9135.8160.3-82-85.2000108.6
140D29.1Very low31Very low153 Ų153151.3 Ų151.382%0.81878%0.78SS**  trans-141.3142.8152-150-15000110.1
141S28.1Very low30.8Very low107 Ų107155.4 Ų155.475%0.74878%0.784SS**  trans-86.5140.8-167.5-68.10000111.7
142A28.6Very low31Very low91 Ų91154.6 Ų154.675%0.75279%0.788SS**  trans58.9101.415400000118.4
143E28.9Very low30.9Very low174 Ų174153 Ų15381%0.81378%0.783SS**SBend172.590.2107.4-92.2-178142.800110
144N29.4Very low31.3Very low157 Ų157150.8 Ų150.884%0.8478%0.783SS**  trans173.7101131.3-90.9-14.2000105.6D146N144-D146 PolarHBondContact O-N 3.18Å
145Q35.6Very low31.1Very low193 Ų193152.9 Ų152.990%0.90279%0.79SS**  trans-58118.8169.9-73.9169.1-12.400108
146D32.3Very low31.6Very low108 Ų108151.2 Ų151.258%0.57879%0.788SS**  trans-173.472149.8-82.9-37.7000107.4N144N144-D146 PolarHBondContact O-N 3.18Å
147D27.1Very low31.8Very low142 Ų142145.6 Ų145.676%0.75978%0.782SS**  trans-135.6129.7150.8-88-49000106.2
148P36.2Very low32.8Very low129 Ų129143.6 Ų143.684%0.83878%0.779SS**  -124.5142.9116.630.9-21.7000112.5
149E29.1Very low32.7Very low180 Ų180145 Ų14584%0.84178%0.782SS**  trans-67.6140.5178.1-151.5167.8-166.300111.5
150S34.9Very low32.9Very low103 Ų103142.6 Ų142.672%0.7278%0.78SS**  trans30.5113.515766.40000120.1
151E27.7Very low33.6Very low174 Ų174139.8 Ų139.881%0.81379%0.787SS**  trans-164.4123.2130.7-111.1167.6-176.800110.4Q153E151-Q153 PolarHBondContact O-N 3.07Å
152A37.1Very low34.4Very low103 Ų103140.9 Ų140.985%0.85178%0.783SS**  trans-74.6112.4166.800000108
153Q30.1Very low35.1Very low162 Ų162138.2 Ų138.276%0.75776%0.758SS**  trans-148.4114.2164.8-109.2154.7-3.600109.9E151 F155E151-Q153 PolarHBondContact O-N 3.07Å; Q153-F155 PolarHBondContact O-N 3.42Å
154E40.4Very low36.2Very low187 Ų187136 Ų13687%0.87476%0.757SS**  trans-55.8125.9165.3-64.1-173.415000109.4
155F26.7Very low37.3Very low205 Ų205131.6 Ų131.690%0.89974%0.736SS**  trans-138.9119.3158-139.2-93.9000109.7Q153Q153-F155 PolarHBondContact O-N 3.42Å
156I40.3Very low37.8Very low139 Ų139127.3 Ų127.371%0.71372%0.719SS**  trans-86.6140.5178.9-73.3170.3000109.5
157S31.8Very low38.5Very low100 Ų100128.7 Ų128.770%0.69972%0.721SS**  trans86.4164.5152.5-750000120
158P51.5Low39.5Very low98 Ų98126 Ų12664%0.63670%0.704SS**  cis-138.8175.5-37.133-13.3000114.2
159H32.7Very low40.5Very low172 Ų172123.1 Ų123.180%0.79668%0.68SS**  trans84.392.8165-60.5-72.5000119.1
160T34.3Very low41.6Very low118 Ų118116.9 Ų116.972%0.72466%0.659SS**  179.7141.991.235.20000106.2L162T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 3.17Å
161G43.7Very low42.5Very low94 Ų94116 Ų11697%0.96965%0.646SS**  trans-65.881.1-16600000114.4
162L43.1Very low43.7Very low129 Ų129113.7 Ų113.768%0.67564%0.635SS**  trans-106.3142.9171.8-85.2156.5000109.7T160 T164T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 3.17Å; L162-T164 WeakPolarHBondContact O-CG2 3.44Å; L162-T164 PolarHBondContact O-N 3.35Å
163P43.5Very low44.3Very low35 Ų35112 Ų11223%0.22761%0.608CS.*  trans-62119-174.421.3-29.4000111.4T165 E168 Q169P163-T165 VanDerWaalsContact C-N 3.33Å; P163-E168 VanDerWaalsContact CA-OE2 3.3Å; P163-E168 WeakPolarHBondContact CA-OE2 3.39Å; P163-E168 HydrophobicContact CB-CB 3.17Å; P163-E168 HydrophobicContact CB-CG 4.16Å; P163-E168 HydrophobicContact CG-CB 4.41Å; P163-Q169 HydrophobicContact CB-CG 4.34Å; P163-Q169 HydrophobicContact CG-CG 4.15Å; P163-Q169 PolarHBondContact O-NE2 2.94Å; P163-Q169 VanDerWaalsContact O-NE2 3.09Å
164T52.3Low45.2Very low127 Ų127110.4 Ų110.478%0.77960%0.6SS**  trans-89.4-0.4-167.653.40000113.1L162 E168L162-T164 WeakPolarHBondContact O-CG2 3.44Å; L162-T164 PolarHBondContact O-N 3.35Å; T164-E168 PolarHBondContact N-OE2 3.28Å
165T51.9Low45.6Very low66 Ų66107.2 Ų107.241%0.40559%0.585SS.*SBendtrans-131.6148.9-175.965.20000111.8P163 H167 E168 Q169P163-T165 VanDerWaalsContact C-N 3.33Å; T165-H167 PolarHBondContact O-N 3.07Å; T165-H167 VanDerWaalsContact O-N 3.12Å; T165-E168 PolarHBondContact O-N 3.05Å; T165-E168 WeakPolarHBondContact OG1-CG 3.48Å; T165-E168 PolarHBondContact OG1-N 3.45Å; T165-E168 PolarHBondContact OG1-OE2 2.9Å; T165-Q169 PolarHBondContact O-N 3.21Å
166L46.6Very low46.4Very low103 Ų103102 Ų10254%0.53956%0.563SS.*Hα-helixtrans-54.2-29.5175.3-168.4128.6000112.5A170 E221L166-A170 VanDerWaalsContact O-CB 3.23Å; L166-A170 WeakPolarHBondContact O-CB 3.34Å; L166-A170 PolarHBondContact O-N 2.86Å; L166-E221 WeakPolarHBondContact CD1-OE1 3.32Å; L166-E221 WeakPolarHBondContact CD1-OE2 3.39Å
167H47.3Very low47Very low137 Ų137100.1 Ų100.163%0.63455%0.553SS**Hα-helixtrans-66.9-45.9174.2-176.570.3000112.5T165 Q169 A170 L171T165-H167 PolarHBondContact O-N 3.07Å; T165-H167 VanDerWaalsContact O-N 3.12Å; H167-Q169 VanDerWaalsContact C-N 3.35Å; H167-A170 PolarHBondContact O-N 3.32Å; H167-L171 WeakPolarHBondContact O-CG 3.34Å; H167-L171 PolarHBondContact O-N 2.94Å; H167-L171 VanDerWaalsContact O-N 3.11Å
168E48.8Very low47.8Very low85 Ų8599.5 Ų99.540%0.39755%0.549SS..Hα-helixtrans-73.6-28.1178.9-67.9175.8131.700112.3P163 T164 T165 H172P163-E168 VanDerWaalsContact CA-OE2 3.3Å; P163-E168 WeakPolarHBondContact CA-OE2 3.39Å; P163-E168 HydrophobicContact CB-CB 3.17Å; P163-E168 HydrophobicContact CB-CG 4.16Å; P163-E168 HydrophobicContact CG-CB 4.41Å; T164-E168 PolarHBondContact N-OE2 3.28Å; T165-E168 PolarHBondContact O-N 3.05Å; T165-E168 WeakPolarHBondContact OG1-CG 3.48Å; T165-E168 PolarHBondContact OG1-N 3.45Å; T165-E168 PolarHBondContact OG1-OE2 2.9Å; E168-H172 PolarHBondContact O-N 3.4Å
169Q56.3Low47.5Very low69 Ų69100.6 Ų100.632%0.32255%0.55SS..Hα-helixtrans-75.9-34.1173.3-66.618010.100112.4P163 T165 H167 L171 H172 F173P163-Q169 HydrophobicContact CB-CG 4.34Å; P163-Q169 HydrophobicContact CG-CG 4.15Å; P163-Q169 PolarHBondContact O-NE2 2.94Å; P163-Q169 VanDerWaalsContact O-NE2 3.09Å; T165-Q169 PolarHBondContact O-N 3.21Å; H167-Q169 VanDerWaalsContact C-N 3.35Å; Q169-L171 VanDerWaalsContact C-N 3.35Å; Q169-H172 PolarHBondContact O-N 3.16Å; Q169-F173 WeakPolarHBondContact O-CB 3.22Å; Q169-F173 PolarHBondContact O-N 3.49Å
170A53.5Low48.4Very low48 Ų4897.7 Ų97.740%0.39754%0.54SS..Hα-helixtrans-66-35.7171.700000112.4L166 H167 F173 Q174L166-A170 VanDerWaalsContact O-CB 3.23Å; L166-A170 WeakPolarHBondContact O-CB 3.34Å; L166-A170 PolarHBondContact O-N 2.86Å; H167-A170 PolarHBondContact O-N 3.32Å; A170-F173 WeakPolarHBondContact O-CB 3.42Å; A170-F173 PolarHBondContact O-N 2.98Å; A170-Q174 PolarHBondContact O-N 3.43Å
171L52.3Low49Very low86 Ų8699.6 Ų99.645%0.4555%0.546SS..Hα-helixtrans-64.8-40.7171.8-78.6165.2000111.9H167 Q169 F173 Q174 Q175H167-L171 WeakPolarHBondContact O-CG 3.34Å; H167-L171 PolarHBondContact O-N 2.94Å; H167-L171 VanDerWaalsContact O-N 3.11Å; Q169-L171 VanDerWaalsContact C-N 3.35Å; L171-F173 VanDerWaalsContact C-N 3.29Å; L171-F173 PolarHBondContact O-N 3.5Å; L171-Q174 PolarHBondContact O-N 3.41Å; L171-Q175 WeakPolarHBondContact O-CB 3.47Å; L171-Q175 PolarHBondContact O-N 2.86Å
172H54.3Low48.8Very low125 Ų12598.1 Ų98.158%0.57953%0.531SS*.Hα-helixtrans-67.5-31.7175.4-139.2-102.1000112.2E168 Q169 F176E168-H172 PolarHBondContact O-N 3.4Å; Q169-H172 PolarHBondContact O-N 3.16Å; H172-F176 WeakPolarHBondContact O-CB 3.4Å; H172-F176 PolarHBondContact O-N 3.33Å
173F48Very low48.9Very low68 Ų6896.2 Ų96.230%0.29854%0.543SS..Hα-helixtrans-69.2-43.4172.9-173.9-105.2000112.3Q169 A170 L171 Q175 F176 L177Q169-F173 WeakPolarHBondContact O-CB 3.22Å; Q169-F173 PolarHBondContact O-N 3.49Å; A170-F173 WeakPolarHBondContact O-CB 3.42Å; A170-F173 PolarHBondContact O-N 2.98Å; L171-F173 VanDerWaalsContact C-N 3.29Å; L171-F173 PolarHBondContact O-N 3.5Å; F173-Q175 VanDerWaalsContact C-N 3.34Å; F173-Q175 PolarHBondContact O-N 2.73Å; F173-F176 WeakPolarHBondContact O-CB 3.41Å; F173-F176 PolarHBondContact O-N 2.84Å; F173-L177 HydrophobicContact CD1-CD1 4.11Å; F173-L177 HydrophobicContact CE1-CD1 3.8Å; F173-L177 HydrophobicContact CE1-CG 4.43Å; F173-L177 HydrophobicContact CZ-CD1 4.37Å; F173-L177 WeakPolarHBondContact O-CG 3.31Å; F173-L177 PolarHBondContact O-N 2.95Å
174Q50.2Low48.5Very low127 Ų12798.2 Ų98.259%0.59357%0.57SS**Hα-helixtrans-62.7-38.5172.4-90.7-178.8-21.700112.7A170 L171 F176 L177 S178A170-Q174 PolarHBondContact O-N 3.43Å; L171-Q174 PolarHBondContact O-N 3.41Å; Q174-F176 VanDerWaalsContact C-N 3.32Å; Q174-L177 PolarHBondContact O-N 3.05Å; Q174-S178 PolarHBondContact O-N 2.85Å; Q174-S178 VanDerWaalsContact O-N 3.15Å; Q174-S178 PolarHBondContact O-OG 3.44Å; Q174-S178 VanDerWaalsContact O-OG 3.13Å
175Q48.6Very low47.7Very low120 Ų12099.8 Ų99.856%0.56157%0.573SS**Hα-helixtrans-68.8-31.8176.2-161.7157.215.600112.3L171 F173 S178 N179L171-Q175 WeakPolarHBondContact O-CB 3.47Å; L171-Q175 PolarHBondContact O-N 2.86Å; F173-Q175 VanDerWaalsContact C-N 3.34Å; F173-Q175 PolarHBondContact O-N 2.73Å; Q175-S178 PolarHBondContact O-N 3.35Å; Q175-N179 PolarHBondContact O-N 3.45Å
176F44.1Very low47.2Very low97 Ų97101.8 Ų101.843%0.42559%0.59SS.*Hα-helixtrans-70.8-39.7173.7-174-97.7000112.8H172 F173 Q174 S178 N179 N180H172-F176 WeakPolarHBondContact O-CB 3.4Å; H172-F176 PolarHBondContact O-N 3.33Å; F173-F176 WeakPolarHBondContact O-CB 3.41Å; F173-F176 PolarHBondContact O-N 2.84Å; Q174-F176 VanDerWaalsContact C-N 3.32Å; F176-S178 VanDerWaalsContact C-N 3.28Å; F176-S178 PolarHBondContact O-N 3.33Å; F176-N179 PolarHBondContact O-N 3.25Å; F176-N180 VanDerWaalsContact CE1-ND2 3.29Å; F176-N180 WeakPolarHBondContact CE1-ND2 3.47Å; F176-N180 WeakPolarHBondContact CZ-ND2 3.14Å; F176-N180 PolarHBondContact O-ND2 2.98Å
177L51.8Low47Very low98 Ų98102.5 Ų102.551%0.51360%0.604SS.*Hα-helixtrans-64-33.7173.8-66.6175.2000112.1F173 Q174F173-L177 HydrophobicContact CD1-CD1 4.11Å; F173-L177 HydrophobicContact CE1-CD1 3.8Å; F173-L177 HydrophobicContact CE1-CG 4.43Å; F173-L177 HydrophobicContact CZ-CD1 4.37Å; F173-L177 WeakPolarHBondContact O-CG 3.31Å; F173-L177 PolarHBondContact O-N 2.95Å; Q174-L177 PolarHBondContact O-N 3.05Å
178S48.3Very low47.3Very low88 Ų88100.2 Ų100.262%0.61562%0.617SS**Hα-helixtrans-73.4-32.3178.2-62.80000113.8Q174 Q175 F176Q174-S178 PolarHBondContact O-N 2.85Å; Q174-S178 VanDerWaalsContact O-N 3.15Å; Q174-S178 PolarHBondContact O-OG 3.44Å; Q174-S178 VanDerWaalsContact O-OG 3.13Å; Q175-S178 PolarHBondContact O-N 3.35Å; F176-S178 VanDerWaalsContact C-N 3.28Å; F176-S178 PolarHBondContact O-N 3.33Å
179N46.8Very low47.4Very low120 Ų120102.2 Ų102.264%0.64263%0.63SS**Hα-helixtrans-80.8-17.6-176.5-76-6.4000114.1Q175 F176 N181Q175-N179 PolarHBondContact O-N 3.45Å; F176-N179 PolarHBondContact O-N 3.25Å; N179-N181 VanDerWaalsContact C-N 3.33Å
180N50.5Low47.4Very low111 Ų111107.2 Ų107.259%0.59465%0.654SS**THydrogen-bonded Turntrans-90.76.8179.8-71.1-33.4000113.7F176 G182F176-N180 VanDerWaalsContact CE1-ND2 3.29Å; F176-N180 WeakPolarHBondContact CE1-ND2 3.47Å; F176-N180 WeakPolarHBondContact CZ-ND2 3.14Å; F176-N180 PolarHBondContact O-ND2 2.98Å; N180-G182 VanDerWaalsContact C-N 3.33Å
181N46.8Very low47.4Very low158 Ų158108.3 Ų108.385%0.84566%0.659SS**THydrogen-bonded Turntrans-9416.8171.5-139.18.5000113.4N179N179-N181 VanDerWaalsContact C-N 3.33Å
182G39.5Very low47.5Very low63 Ų63115.5 Ų115.565%0.64968%0.68SS**SBendtrans-109.4106.3175.400000111.6N180N180-G182 VanDerWaalsContact C-N 3.33Å
183G44.5Very low48Very low90 Ų90116 Ų11693%0.92869%0.687SS**  trans-62146.9177.900000114.7
184G37Very low49Very low77 Ų77119.2 Ų119.279%0.79470%0.697SS**  trans176.8113.3169.200000113.1
185N34.5Very low50.3Low159 Ų159116.7 Ų116.785%0.8569%0.692SS**  trans-61.7146.4-173.9-68.9-25.5000115.4
186S42.1Very low51.8Low108 Ų108113.3 Ų113.376%0.75567%0.674SS**  141131.6115.2-57.90000112.7
187S41.9Very low53.4Low119 Ų119112.3 Ų112.383%0.83267%0.672SS**  trans121.3111.1158-50.10000110.7D189S187-D189 PolarHBondContact O-N 3.39Å
188G54.1Low54.8Low89 Ų89107.7 Ų107.792%0.91865%0.648SS**  trans-56.6125.6-174.800000112.7
189D50.6Low56.3Low126 Ų126108.7 Ų108.767%0.67466%0.655SS**  trans-157.2143.6160.7-161.4-2.8000107.4S187 S191S187-D189 PolarHBondContact O-N 3.39Å; D189-S191 WeakPolarHBondContact O-CB 3.31Å; D189-S191 PolarHBondContact O-N 3.39Å; D189-S191 PolarHBondContact O-OG 3Å
190E55Low58Low175 Ų175107.4 Ų107.482%0.81865%0.652SS**SBendtrans-60.270.4-169.5-71.3166.4111.700112.5R204E190-R204 PolarHBondContact O-NH1 3.43Å
191S55.5Low59.5Low71 Ų71104.4 Ų104.450%0.49764%0.639SS.*  trans-106.3-6.5-162.956.70000115.5D189 R204D189-S191 WeakPolarHBondContact O-CB 3.31Å; D189-S191 PolarHBondContact O-N 3.39Å; D189-S191 PolarHBondContact O-OG 3Å; S191-R204 VanDerWaalsContact CA-NH2 3.29Å; S191-R204 PolarHBondContact O-NH2 3.4Å; S191-R204 VanDerWaalsContact O-NH2 3.09Å
192R53.1Low61.3Low236 Ų236104.6 Ų104.689%0.89163%0.634SS**SBendtrans-81.1-21.6-178-75.2-175.1170.7151.5-2.6115.4
193D65.1Low63.1Low137 Ų137107.6 Ų107.673%0.73363%0.629SS**SBendtrans-90-11.6-176-71.2-15.9000114T206D193-T206 WeakPolarHBondContact O-CG2 3.42Å
194R69.9Low64.9Low135 Ų135107.3 Ų107.351%0.50960%0.601SS.*  trans-144.369.8-176.8-64.3-172.9-177.7179.53.8113.2Y196 R204 F205 T206R194-Y196 PolarHBondContact O-N 3.4Å; R194-R204 HydrophobicContact CB-CB 3.88Å; R194-R204 VanDerWaalsContact O-CZ 3.29Å; R194-R204 PolarHBondContact O-NE 3.42Å; R194-R204 PolarHBondContact O-NH2 2.9Å; R194-F205 CarbonylContact C-O 3.3Å; R194-F205 WeakPolarHBondContact CA-O 3.3Å; R194-F205 WeakPolarHBondContact CB-O 3.34Å; R194-T206 HydrophobicContact CG-CG2 3.66Å
195P76.6Confident66.9Low74 Ų74105.5 Ų105.548%0.48157%0.571SS.*  trans-72.4-14.5-170.627.2-31.5000113.9
196Y79.4Confident69.1Low49 Ų49101.7 Ų101.719%0.19255%0.553CS.*EExtended strand (participates in β ladder)trans-97.2121.2-172.8-55-80.5000111.7R194 R204 F205 T206 N207 C208R194-Y196 PolarHBondContact O-N 3.4Å; Y196-R204 CarbonylContact O-C 3.39Å; Y196-R204 WeakPolarHBondContact O-CA 3.33Å; Y196-F205 PolarHBondContact N-O 3.22Å; Y196-F205 PolarHBondContact O-N 3.01Å; Y196-T206 WeakPolarHBondContact CE2-O 3.25Å; Y196-N207 VanDerWaalsContact CE2-C 3.49Å; Y196-C208 HydrophobicContact CD1-CB 3.89Å; Y196-C208 HydrophobicContact CE1-CB 3.6Å
197I78.9Confident70.7Confident75 Ų7598.7 Ų98.739%0.38553%0.529SS..EExtended strand (participates in β ladder)trans-116.4134.1-174.7-51.5179.5000110.3K203 R204I197-K203 WeakPolarHBondContact CA-O 3.48Å; I197-R204 HydrophobicContact CG1-CG 4.28Å
198C81.7Confident72.4Confident1 Ų193.7 Ų93.71%0.00749%0.494CS..  trans-74123171.9-177.10000111.1V200 C201 E202 K203 F205 L211 H214C198-V200 PolarHBondContact O-N 2.9Å; C198-C201 VanDerWaalsContact SG-SG 3.61Å; C198-E202 WeakPolarHBondContact O-CA 3.05Å; C198-E202 PolarHBondContact O-N 3.46Å; C198-K203 HydrophobicContact CB-CB 4.45Å; C198-K203 PolarHBondContact N-O 3.46Å; C198-F205 HydrophobicContact CB-CE2 4.25Å; C198-L211 HydrophobicContact CB-CD1 3.76Å; C198-H214 PolarHBondContact SG-CD2 3.38Å; C198-H214 PolarHBondContact SG-NE2 2.85Å
199S79.6Confident73.4Confident109 Ų10992.6 Ų92.676%0.76247%0.472SS*.THydrogen-bonded Turntrans-69.4-18.6178.353.50000114
200V81.3Confident74.8Confident94 Ų9491.6 Ų91.657%0.5746%0.463SS*.THydrogen-bonded Turntrans-90.1-37.1-176.9-176.40000112C198 H218C198-V200 PolarHBondContact O-N 2.9Å; V200-H218 HydrophobicContact CG1-CB 4.37Å; V200-H218 HydrophobicContact CG2-CB 4.5Å
201C82.2Confident76Confident48 Ų4883.6 Ų83.632%0.32443%0.426SS..THydrogen-bonded Turntrans-135.511.3-174.4710000114.5C198 K203 H214 H218C198-C201 VanDerWaalsContact SG-SG 3.61Å; C201-K203 PolarHBondContact O-N 3.21Å; C201-H214 PolarHBondContact SG-NE2 3.13Å; C201-H218 PolarHBondContact SG-NE2 3.23Å
202E84.1Confident77.1Confident161 Ų16182.2 Ų82.275%0.75242%0.419SS*.  trans5910174.1-58.9179.1179.100115.4C198C198-E202 WeakPolarHBondContact O-CA 3.05Å; C198-E202 PolarHBondContact O-N 3.46Å
203K77.5Confident78.3Confident126 Ų12671.8 Ų71.855%0.54838%0.383SS..  trans-64.5136.5175.6-73-178-176.8-179.90111.1I197 C198 C201 F205I197-K203 WeakPolarHBondContact CA-O 3.48Å; C198-K203 HydrophobicContact CB-CB 4.45Å; C198-K203 PolarHBondContact N-O 3.46Å; C201-K203 PolarHBondContact O-N 3.21Å; K203-F205 HydrophobicContact CB-CE2 3.75Å; K203-F205 HydrophobicContact CB-CZ 4.06Å; K203-F205 WeakPolarHBondContact O-CD2 3.32Å; K203-F205 WeakPolarHBondContact O-CE2 3.4Å
204R82.9Confident79.1Confident85 Ų8566.4 Ų66.432%0.32135%0.353SS..EExtended strand (participates in β ladder)trans-99.2136-178.4-51.2-175.166.3-142.1-4.5111.9E190 S191 R194 Y196 I197E190-R204 PolarHBondContact O-NH1 3.43Å; S191-R204 VanDerWaalsContact CA-NH2 3.29Å; S191-R204 PolarHBondContact O-NH2 3.4Å; S191-R204 VanDerWaalsContact O-NH2 3.09Å; R194-R204 HydrophobicContact CB-CB 3.88Å; R194-R204 VanDerWaalsContact O-CZ 3.29Å; R194-R204 PolarHBondContact O-NE 3.42Å; R194-R204 PolarHBondContact O-NH2 2.9Å; Y196-R204 CarbonylContact O-C 3.39Å; Y196-R204 WeakPolarHBondContact O-CA 3.33Å; I197-R204 HydrophobicContact CG1-CG 4.28Å
205F78.9Confident79.6Confident39 Ų3962 Ų6217%0.17134%0.339CS..EExtended strand (participates in β ladder)trans-125.2149-177.8-62-90.8000110.7R194 Y196 C198 K203 H210 L211 H214R194-F205 CarbonylContact C-O 3.3Å; R194-F205 WeakPolarHBondContact CA-O 3.3Å; R194-F205 WeakPolarHBondContact CB-O 3.34Å; Y196-F205 PolarHBondContact N-O 3.22Å; Y196-F205 PolarHBondContact O-N 3.01Å; C198-F205 HydrophobicContact CB-CE2 4.25Å; K203-F205 HydrophobicContact CB-CE2 3.75Å; K203-F205 HydrophobicContact CB-CZ 4.06Å; K203-F205 WeakPolarHBondContact O-CD2 3.32Å; K203-F205 WeakPolarHBondContact O-CE2 3.4Å; F205-H210 HydrophobicContact CD1-CB 3.82Å; F205-L211 HydrophobicContact CB-CB 4.22Å; F205-L211 HydrophobicContact CD2-CB 4.02Å; F205-L211 HydrophobicContact CD2-CD1 3.77Å; F205-L211 HydrophobicContact CD2-CG 4.49Å; F205-L211 HydrophobicContact CE2-CD1 3.96Å; F205-L211 HydrophobicContact CG-CB 4.19Å; F205-H214 HydrophobicContact CE1-CB 3.85Å; F205-H214 HydrophobicContact CE2-CB 4.02Å; F205-H214 AromaticContact CE2-CD2 3.44Å; F205-H214 VanDerWaalsContact CE2-CD2 3.44Å; F205-H214 WeakPolarHBondContact CE2-CD2 3.46Å; F205-H214 AromaticContact CE2-CG 3.74Å; F205-H214 HydrophobicContact CZ-CB 3.44Å; F205-H214 VanDerWaalsContact CZ-CB 3.44Å; F205-H214 AromaticContact CZ-CD2 3.41Å; F205-H214 VanDerWaalsContact CZ-CD2 3.41Å; F205-H214 WeakPolarHBondContact CZ-CD2 3.46Å; F205-H214 AromaticContact CZ-CG 3.22Å; F205-H214 AromaticContact CZ-ND1 3.84Å
206T81.4Confident79.9Confident78 Ų7860.4 Ų60.448%0.47932%0.324SS..SBendtrans-75.7-24.4179.254.10000112.5D193 R194 Y196D193-T206 WeakPolarHBondContact O-CG2 3.42Å; R194-T206 HydrophobicContact CG-CG2 3.66Å; Y196-T206 WeakPolarHBondContact CE2-O 3.25Å
207N74.9Confident80Confident45 Ų4561.1 Ų61.124%0.24133%0.333CS..SBendtrans-140.8152.3-17459.3-12.2000112Y196 S209 H210 L211Y196-N207 VanDerWaalsContact CE2-C 3.49Å; N207-S209 VanDerWaalsContact C-N 3.33Å; N207-S209 PolarHBondContact O-N 2.75Å; N207-H210 PolarHBondContact ND2-CD2 3.46Å; N207-H210 PolarHBondContact ND2-CE1 3.22Å; N207-H210 PolarHBondContact ND2-ND1 2.99Å; N207-H210 PolarHBondContact ND2-NE2 3.15Å; N207-H210 PolarHBondContact O-N 3.46Å; N207-H210 WeakPolarHBondContact OD1-CB 3.27Å; N207-H210 PolarHBondContact OD1-N 3.49Å; N207-H210 PolarHBondContact OD1-ND1 3.43Å; N207-L211 PolarHBondContact O-N 3.25Å
208C77.6Confident80.1Confident15 Ų1561.2 Ų61.210%0.10133%0.332CS..Hα-helixtrans-63.7-36.8179.261.10000112.3C107 Y196 H210 L211 A212C107-C208 HydrophobicContact CB-CB 4.38Å; C107-C208 WeakPolarHBondContact CB-SG 3.25Å; C107-C208 WeakPolarHBondContact SG-CB 3.45Å; C107-C208 CovalentContact SG-SG 2.07Å; C107-C208 PolarHBondContact SG-SG 3.16Å; Y196-C208 HydrophobicContact CD1-CB 3.89Å; Y196-C208 HydrophobicContact CE1-CB 3.6Å; C208-H210 PolarHBondContact O-N 3.43Å; C208-L211 WeakPolarHBondContact O-CB 3.27Å; C208-L211 PolarHBondContact O-N 2.75Å; C208-A212 PolarHBondContact O-N 2.95Å
209S75.8Confident80Confident65 Ų6563.7 Ų63.746%0.45535%0.347SS..Hα-helixtrans-66-37-178.4-450000113.4N207 A212 A213N207-S209 VanDerWaalsContact C-N 3.33Å; N207-S209 PolarHBondContact O-N 2.75Å; S209-A212 PolarHBondContact O-N 3.31Å; S209-A213 WeakPolarHBondContact O-CB 3.27Å; S209-A213 PolarHBondContact O-N 3.05Å
210H79.3Confident79.9Confident106 Ų10661.1 Ų61.149%0.49134%0.338SS..Hα-helixtrans-72.4-34.4174.2-62.3160.6000111.6F205 N207 C208 H214F205-H210 HydrophobicContact CD1-CB 3.82Å; N207-H210 PolarHBondContact ND2-CD2 3.46Å; N207-H210 PolarHBondContact ND2-CE1 3.22Å; N207-H210 PolarHBondContact ND2-ND1 2.99Å; N207-H210 PolarHBondContact ND2-NE2 3.15Å; N207-H210 PolarHBondContact O-N 3.46Å; N207-H210 WeakPolarHBondContact OD1-CB 3.27Å; N207-H210 PolarHBondContact OD1-N 3.49Å; N207-H210 PolarHBondContact OD1-ND1 3.43Å; C208-H210 PolarHBondContact O-N 3.43Å; H210-H214 WeakPolarHBondContact O-CB 3.28Å; H210-H214 PolarHBondContact O-N 3.45Å
211L81.1Confident79.8Confident7 Ų759.9 Ų59.94%0.03733%0.326CS..Hα-helixtrans-61.9-45.917217361.1000110.7C198 F205 N207 C208 H214 I215C198-L211 HydrophobicContact CB-CD1 3.76Å; F205-L211 HydrophobicContact CB-CB 4.22Å; F205-L211 HydrophobicContact CD2-CB 4.02Å; F205-L211 HydrophobicContact CD2-CD1 3.77Å; F205-L211 HydrophobicContact CD2-CG 4.49Å; F205-L211 HydrophobicContact CE2-CD1 3.96Å; F205-L211 HydrophobicContact CG-CB 4.19Å; N207-L211 PolarHBondContact O-N 3.25Å; C208-L211 WeakPolarHBondContact O-CB 3.27Å; C208-L211 PolarHBondContact O-N 2.75Å; L211-H214 CarbonylContact O-C 3.23Å; L211-H214 WeakPolarHBondContact O-CA 3.38Å; L211-H214 WeakPolarHBondContact O-CB 3.33Å; L211-H214 PolarHBondContact O-N 3.12Å; L211-H214 VanDerWaalsContact O-N 3.13Å; L211-I215 HydrophobicContact CD1-CD1 4.06Å; L211-I215 HydrophobicContact CD1-CG1 4.13Å; L211-I215 HydrophobicContact CG-CD1 3.99Å; L211-I215 HydrophobicContact CG-CG1 4.5Å; L211-I215 WeakPolarHBondContact O-CG1 3.5Å; L211-I215 PolarHBondContact O-N 3.36Å
212A77.6Confident79.8Confident42 Ų4261.9 Ų61.935%0.34733%0.326SS..Hα-helixtrans-61.5-46.1178.200000112.2C208 S209 H214 I215 R216C208-A212 PolarHBondContact O-N 2.95Å; S209-A212 PolarHBondContact O-N 3.31Å; A212-H214 VanDerWaalsContact C-N 3.26Å; A212-H214 PolarHBondContact O-N 2.92Å; A212-I215 PolarHBondContact O-N 3.4Å; A212-R216 PolarHBondContact O-N 2.99Å
213A78.7Confident79.6Confident17 Ų1757.8 Ų57.814%0.1431%0.314CS..Hα-helixtrans-62.1-35.3173.700000112.2S209 R216 I234 T235S209-A213 WeakPolarHBondContact O-CB 3.27Å; S209-A213 PolarHBondContact O-N 3.05Å; A213-R216 WeakPolarHBondContact O-CB 3.2Å; A213-R216 PolarHBondContact O-N 3.21Å; A213-I234 VanDerWaalsContact O-CG2 3.27Å; A213-I234 WeakPolarHBondContact O-CG2 3.26Å; A213-T235 HydrophobicContact CB-CG2 3.75Å
214H82.7Confident79.9Confident23 Ų2353.7 Ų53.711%0.10630%0.295CS..Hα-helixtrans-68.5-40.5175.2171.761.2000112.3C198 C201 F205 H210 L211 A212 R216 T217 H218C198-H214 PolarHBondContact SG-CD2 3.38Å; C198-H214 PolarHBondContact SG-NE2 2.85Å; C201-H214 PolarHBondContact SG-NE2 3.13Å; F205-H214 HydrophobicContact CE1-CB 3.85Å; F205-H214 HydrophobicContact CE2-CB 4.02Å; F205-H214 AromaticContact CE2-CD2 3.44Å; F205-H214 VanDerWaalsContact CE2-CD2 3.44Å; F205-H214 WeakPolarHBondContact CE2-CD2 3.46Å; F205-H214 AromaticContact CE2-CG 3.74Å; F205-H214 HydrophobicContact CZ-CB 3.44Å; F205-H214 VanDerWaalsContact CZ-CB 3.44Å; F205-H214 AromaticContact CZ-CD2 3.41Å; F205-H214 VanDerWaalsContact CZ-CD2 3.41Å; F205-H214 WeakPolarHBondContact CZ-CD2 3.46Å; F205-H214 AromaticContact CZ-CG 3.22Å; F205-H214 AromaticContact CZ-ND1 3.84Å; H210-H214 WeakPolarHBondContact O-CB 3.28Å; H210-H214 PolarHBondContact O-N 3.45Å; L211-H214 CarbonylContact O-C 3.23Å; L211-H214 WeakPolarHBondContact O-CA 3.38Å; L211-H214 WeakPolarHBondContact O-CB 3.33Å; L211-H214 PolarHBondContact O-N 3.12Å; L211-H214 VanDerWaalsContact O-N 3.13Å; A212-H214 VanDerWaalsContact C-N 3.26Å; A212-H214 PolarHBondContact O-N 2.92Å; H214-R216 PolarHBondContact O-N 3.32Å; H214-T217 WeakPolarHBondContact O-CB 3.45Å; H214-T217 PolarHBondContact O-N 3.21Å; H214-T217 PolarHBondContact O-OG1 3.45Å; H214-H218 AromaticContact CE1-NE2 3.43Å; H214-H218 PolarHBondContact CE1-NE2 2.93Å; H214-H218 AromaticContact NE2-CD2 3.86Å; H214-H218 AromaticContact NE2-NE2 3.1Å; H214-H218 PolarHBondContact NE2-NE2 3.15Å; H214-H218 VanDerWaalsContact NE2-NE2 3.1Å
215I80.4Confident80Confident42 Ų4253.7 Ų53.722%0.21530%0.3CS..Hα-helixtrans-58.8-34.6177.2-71.1165.5000111L211 A212 T217 H218 T219L211-I215 HydrophobicContact CD1-CD1 4.06Å; L211-I215 HydrophobicContact CD1-CG1 4.13Å; L211-I215 HydrophobicContact CG-CD1 3.99Å; L211-I215 HydrophobicContact CG-CG1 4.5Å; L211-I215 WeakPolarHBondContact O-CG1 3.5Å; L211-I215 PolarHBondContact O-N 3.36Å; A212-I215 PolarHBondContact O-N 3.4Å; I215-T217 PolarHBondContact O-N 3.26Å; I215-T217 VanDerWaalsContact O-N 3.15Å; I215-H218 WeakPolarHBondContact O-CB 3.45Å; I215-H218 PolarHBondContact O-N 3.32Å; I215-T219 HydrophobicContact CG2-CG2 4.39Å; I215-T219 PolarHBondContact O-N 3.36Å
216R82.8Confident80Confident41 Ų4151.9 Ų51.916%0.15529%0.292CS..Hα-helixtrans-59.4-25174.4-67179.6-168.9129.46.1113.6A212 A213 H214 H218 T219 G220 E221 I234A212-R216 PolarHBondContact O-N 2.99Å; A213-R216 WeakPolarHBondContact O-CB 3.2Å; A213-R216 PolarHBondContact O-N 3.21Å; H214-R216 PolarHBondContact O-N 3.32Å; R216-H218 VanDerWaalsContact C-N 3.28Å; R216-H218 PolarHBondContact O-N 2.88Å; R216-T219 WeakPolarHBondContact CA-OG1 2.99Å; R216-T219 PolarHBondContact O-N 3.46Å; R216-T219 PolarHBondContact O-OG1 2.92Å; R216-G220 WeakPolarHBondContact O-CA 3.23Å; R216-G220 PolarHBondContact O-N 3.41Å; R216-E221 HydrophobicContact CG-CB 4.36Å; R216-E221 PolarHBondContact O-N 3.44Å; R216-I234 HydrophobicContact CB-CG2 3.62Å; R216-I234 HydrophobicContact CG-CG2 4.43Å; R216-I234 PolarHBondContact NH1-O 3.4Å
217T81.4Confident80.1Confident64 Ų6454 Ų5439%0.39330%0.3SS..Hα-helixtrans-69.8-26.1173.7740000112.7H214 I215 I234H214-T217 WeakPolarHBondContact O-CB 3.45Å; H214-T217 PolarHBondContact O-N 3.21Å; H214-T217 PolarHBondContact O-OG1 3.45Å; I215-T217 PolarHBondContact O-N 3.26Å; I215-T217 VanDerWaalsContact O-N 3.15Å; T217-I234 HydrophobicContact CG2-CD1 3.79Å
218H80.3Confident80Confident77 Ų7757.3 Ų57.336%0.35632%0.317SS..Hα-helixtrans-81.6-37175.5-63.8-62.7000112V200 C201 H214 I215 R216V200-H218 HydrophobicContact CG1-CB 4.37Å; V200-H218 HydrophobicContact CG2-CB 4.5Å; C201-H218 PolarHBondContact SG-NE2 3.23Å; H214-H218 AromaticContact CE1-NE2 3.43Å; H214-H218 PolarHBondContact CE1-NE2 2.93Å; H214-H218 AromaticContact NE2-CD2 3.86Å; H214-H218 AromaticContact NE2-NE2 3.1Å; H214-H218 PolarHBondContact NE2-NE2 3.15Å; H214-H218 VanDerWaalsContact NE2-NE2 3.1Å; I215-H218 WeakPolarHBondContact O-CB 3.45Å; I215-H218 PolarHBondContact O-N 3.32Å; R216-H218 VanDerWaalsContact C-N 3.28Å; R216-H218 PolarHBondContact O-N 2.88Å
219T79.1Confident80.2Confident54 Ų5459 Ų5933%0.33133%0.328SS..Hα-helixtrans-82.3-20.5-179.963.60000113.6I215 R216 E221I215-T219 HydrophobicContact CG2-CG2 4.39Å; I215-T219 PolarHBondContact O-N 3.36Å; R216-T219 WeakPolarHBondContact CA-OG1 2.99Å; R216-T219 PolarHBondContact O-N 3.46Å; R216-T219 PolarHBondContact O-OG1 2.92Å; T219-E221 PolarHBondContact O-N 2.88Å; T219-E221 PolarHBondContact OG1-N 3.39Å
220G79.1Confident80.6Confident54 Ų5463.8 Ų63.856%0.55734%0.336SS*.THydrogen-bonded Turntrans766.5-173.100000114.3R216 R222R216-G220 WeakPolarHBondContact O-CA 3.23Å; R216-G220 PolarHBondContact O-N 3.41Å; G220-R222 PolarHBondContact O-N 3.47Å
221E77.6Confident80.6Confident69 Ų6964.6 Ų64.632%0.32234%0.338SS..  trans-67.4128.9178.2-71.6-174.6173.700112.1L166 R216 T219L166-E221 WeakPolarHBondContact CD1-OE1 3.32Å; L166-E221 WeakPolarHBondContact CD1-OE2 3.39Å; R216-E221 HydrophobicContact CG-CB 4.36Å; R216-E221 PolarHBondContact O-N 3.44Å; T219-E221 PolarHBondContact O-N 2.88Å; T219-E221 PolarHBondContact OG1-N 3.39Å
222R81.8Confident80.7Confident89 Ų8966.5 Ų66.534%0.33635%0.351SS..  trans-130.577.4179.8-59.4177.281.9108.6-6.8110G220 Y224 T232 F233 I234G220-R222 PolarHBondContact O-N 3.47Å; R222-Y224 PolarHBondContact O-N 2.96Å; R222-Y224 VanDerWaalsContact O-N 3.16Å; R222-T232 WeakPolarHBondContact CB-OG1 3.45Å; R222-T232 PolarHBondContact NE-O 3.03Å; R222-T232 PolarHBondContact NH2-O 3.1Å; R222-F233 CarbonylContact C-O 3.14Å; R222-F233 VanDerWaalsContact C-O 3.23Å; R222-F233 WeakPolarHBondContact CA-O 3.5Å; R222-I234 HydrophobicContact CG-CG1 3.96Å
223P81.5Confident81.1Confident75 Ų7566 Ų6649%0.48734%0.34SS..  trans-65.8-20.8-169.3-21.934.1000114.2
224Y84.2Confident81.3Confident40 Ų4066.4 Ų66.416%0.15734%0.34CS..EExtended strand (participates in β ladder)trans-101.7108.8-168-57.5-72.7000111.1R222 T232 F233 I234 T236R222-Y224 PolarHBondContact O-N 2.96Å; R222-Y224 VanDerWaalsContact O-N 3.16Å; Y224-T232 CarbonylContact O-C 3.59Å; Y224-T232 WeakPolarHBondContact O-CA 3.18Å; Y224-F233 WeakPolarHBondContact CB-O 3.38Å; Y224-F233 WeakPolarHBondContact CD2-O 3.38Å; Y224-F233 PolarHBondContact N-O 2.99Å; Y224-F233 VanDerWaalsContact N-O 3.11Å; Y224-F233 PolarHBondContact O-N 3.5Å; Y224-I234 WeakPolarHBondContact CD2-O 3.37Å; Y224-I234 VanDerWaalsContact CE2-O 3.25Å; Y224-I234 WeakPolarHBondContact CE2-O 3.47Å; Y224-T236 HydrophobicContact CD1-CG2 3.62Å; Y224-T236 HydrophobicContact CE1-CG2 3.16Å; Y224-T236 HydrophobicContact CE2-CG2 4.33Å; Y224-T236 HydrophobicContact CG-CG2 4.37Å
225M85Confident81.2Confident86 Ų8667.4 Ų67.442%0.42435%0.348SS..EExtended strand (participates in β ladder)trans-99.9140.4-179.5-172179.6-64.400111.7R230 K231 T232 L239M225-R230 HydrophobicContact SD-CB 4.3Å; M225-K231 CarbonylContact C-O 3.49Å; M225-T232 HydrophobicContact CB-CG2 4.18Å; M225-T232 HydrophobicContact CE-CG2 4Å; M225-T232 HydrophobicContact CG-CG2 4.16Å; M225-L239 WeakPolarHBondContact O-CD2 3.41Å
226C78.9Confident81.2Confident0 Ų068.5 Ų68.50%036%0.357CS..  trans-80.9123168179.30000110.6I228 C229 R230 K231 F233 L239 H242 H246C226-I228 PolarHBondContact O-N 3.08Å; C226-C229 VanDerWaalsContact SG-SG 3.68Å; C226-R230 WeakPolarHBondContact O-CA 3.44Å; C226-R230 PolarHBondContact O-N 3.48Å; C226-K231 PolarHBondContact N-O 3.19Å; C226-F233 HydrophobicContact CB-CE2 4.28Å; C226-L239 HydrophobicContact CB-CD1 3.67Å; C226-H242 VanDerWaalsContact SG-CD2 3.6Å; C226-H246 PolarHBondContact SG-NE2 3.35Å; C226-H246 VanDerWaalsContact SG-NE2 3.41Å
227D82.1Confident81Confident122 Ų12270.7 Ų70.765%0.65238%0.378SS*.THydrogen-bonded Turntrans-66.9-24.3-178.4-59.2-46000113.9R230D227-R230 PolarHBondContact O-NE 3.43Å
228I73.7Confident81Confident116 Ų11668.6 Ų68.660%0.59537%0.367SS*.THydrogen-bonded Turntrans-82.1-46-174.9-57.9174.1000111.5C226 H246C226-I228 PolarHBondContact O-N 3.08Å; I228-H246 HydrophobicContact CD1-CB 3.4Å; I228-H246 VanDerWaalsContact CD1-CB 3.4Å; I228-H246 HydrophobicContact CG2-CB 4.24Å; I228-H246 WeakPolarHBondContact CG2-ND1 3.4Å
229C80.7Confident81.2Confident49 Ų4966 Ų6633%0.33136%0.356SS..THydrogen-bonded Turntrans-120.62.5-175.671.10000114.3C226 K231 H242C226-C229 VanDerWaalsContact SG-SG 3.68Å; C229-K231 PolarHBondContact O-N 3.48Å; C229-H242 PolarHBondContact SG-NE2 2.98Å
230R84.4Confident81.2Confident167 Ų16768.4 Ų68.463%0.6337%0.367SS*.  trans59.911.7179.4-52.3-53.5-171.998.9-0.3115.8M225 C226 D227M225-R230 HydrophobicContact SD-CB 4.3Å; C226-R230 WeakPolarHBondContact O-CA 3.44Å; C226-R230 PolarHBondContact O-N 3.48Å; D227-R230 PolarHBondContact O-NE 3.43Å
231K79.7Confident81Confident122 Ų12272.7 Ų72.753%0.5337%0.366SS..  trans-65.9138.8171.3-71.4-168.8175.8-1560110.8M225 C226 C229 F233M225-K231 CarbonylContact C-O 3.49Å; C226-K231 PolarHBondContact N-O 3.19Å; C229-K231 PolarHBondContact O-N 3.48Å; K231-F233 HydrophobicContact CB-CE2 3.93Å; K231-F233 HydrophobicContact CB-CZ 3.99Å; K231-F233 WeakPolarHBondContact O-CE2 3.37Å
232T83.6Confident81.2Confident48 Ų4870.5 Ų70.529%0.29436%0.356SS..EExtended strand (participates in β ladder)trans-106.8149.5-178.3600000112.5R222 Y224 M225R222-T232 WeakPolarHBondContact CB-OG1 3.45Å; R222-T232 PolarHBondContact NE-O 3.03Å; R222-T232 PolarHBondContact NH2-O 3.1Å; Y224-T232 CarbonylContact O-C 3.59Å; Y224-T232 WeakPolarHBondContact O-CA 3.18Å; M225-T232 HydrophobicContact CB-CG2 4.18Å; M225-T232 HydrophobicContact CE-CG2 4Å; M225-T232 HydrophobicContact CG-CG2 4.16Å
233F85.9Confident80.9Confident30 Ų3069.1 Ų69.113%0.13235%0.353CS..EExtended strand (participates in β ladder)trans-135.7154.2-173.5-59.4-85.4000110.9R222 Y224 C226 K231 A238 L239 H242R222-F233 CarbonylContact C-O 3.14Å; R222-F233 VanDerWaalsContact C-O 3.23Å; R222-F233 WeakPolarHBondContact CA-O 3.5Å; Y224-F233 WeakPolarHBondContact CB-O 3.38Å; Y224-F233 WeakPolarHBondContact CD2-O 3.38Å; Y224-F233 PolarHBondContact N-O 2.99Å; Y224-F233 VanDerWaalsContact N-O 3.11Å; Y224-F233 PolarHBondContact O-N 3.5Å; C226-F233 HydrophobicContact CB-CE2 4.28Å; K231-F233 HydrophobicContact CB-CE2 3.93Å; K231-F233 HydrophobicContact CB-CZ 3.99Å; K231-F233 WeakPolarHBondContact O-CE2 3.37Å; F233-A238 HydrophobicContact CB-CB 4.14Å; F233-A238 HydrophobicContact CD1-CB 4.01Å; F233-A238 HydrophobicContact CG-CB 4.36Å; F233-L239 HydrophobicContact CB-CB 4.3Å; F233-L239 HydrophobicContact CD2-CB 3.93Å; F233-L239 HydrophobicContact CD2-CD1 3.81Å; F233-L239 HydrophobicContact CD2-CG 4.48Å; F233-L239 HydrophobicContact CE2-CD1 4Å; F233-L239 HydrophobicContact CG-CB 4.27Å; F233-H242 HydrophobicContact CE1-CB 3.86Å; F233-H242 HydrophobicContact CE2-CB 3.82Å; F233-H242 AromaticContact CE2-CD2 3.71Å; F233-H242 AromaticContact CE2-CG 3.63Å; F233-H242 HydrophobicContact CZ-CB 3.39Å; F233-H242 AromaticContact CZ-CD2 3.71Å; F233-H242 AromaticContact CZ-CG 3.18Å; F233-H242 AromaticContact CZ-ND1 3.42Å; F233-H242 WeakPolarHBondContact CZ-ND1 3.47Å
234I82.1Confident80.4Confident27 Ų2767.9 Ų67.914%0.13834%0.344CS..SBendtrans-80.8-25.4-179.7-64.1178.2000112.1A213 R216 T217 R222 Y224A213-I234 VanDerWaalsContact O-CG2 3.27Å; A213-I234 WeakPolarHBondContact O-CG2 3.26Å; R216-I234 HydrophobicContact CB-CG2 3.62Å; R216-I234 HydrophobicContact CG-CG2 4.43Å; R216-I234 PolarHBondContact NH1-O 3.4Å; T217-I234 HydrophobicContact CG2-CD1 3.79Å; R222-I234 HydrophobicContact CG-CG1 3.96Å; Y224-I234 WeakPolarHBondContact CD2-O 3.37Å; Y224-I234 VanDerWaalsContact CE2-O 3.25Å; Y224-I234 WeakPolarHBondContact CE2-O 3.47Å
235T81.5Confident79.9Confident44 Ų4469.7 Ų69.727%0.2736%0.356SS..SBendtrans-133.9151-178.464.60000112.2A213 S237 A238 L239A213-T235 HydrophobicContact CB-CG2 3.75Å; T235-S237 VanDerWaalsContact C-N 3.33Å; T235-S237 PolarHBondContact O-N 2.07Å; T235-A238 PolarHBondContact O-N 3.11Å; T235-A238 VanDerWaalsContact OG1-CB 3.3Å; T235-A238 WeakPolarHBondContact OG1-CB 3.45Å; T235-A238 PolarHBondContact OG1-N 2.91Å; T235-L239 PolarHBondContact O-N 3.3Å
236T79.8Confident79.4Confident65 Ų6568.7 Ų68.740%0.39935%0.35SS..Hα-helixtrans-57.7-43.5172.848.60000111.8Y224 A238 L239 N240Y224-T236 HydrophobicContact CD1-CG2 3.62Å; Y224-T236 HydrophobicContact CE1-CG2 3.16Å; Y224-T236 HydrophobicContact CE2-CG2 4.33Å; Y224-T236 HydrophobicContact CG-CG2 4.37Å; T236-A238 VanDerWaalsContact C-N 3.28Å; T236-A238 PolarHBondContact O-N 3.36Å; T236-L239 WeakPolarHBondContact O-CB 3.42Å; T236-L239 PolarHBondContact O-N 2.94Å; T236-L239 VanDerWaalsContact O-N 3.11Å; T236-N240 PolarHBondContact O-N 2.87Å
237S79.3Confident78.7Confident86 Ų8672.8 Ų72.860%0.60138%0.375SS*.Hα-helixtrans-60.2-37.6178.5-48.20000112.3T235 R241T235-S237 VanDerWaalsContact C-N 3.33Å; T235-S237 PolarHBondContact O-N 2.07Å; S237-R241 VanDerWaalsContact O-CB 3.32Å; S237-R241 WeakPolarHBondContact O-CB 3.49Å; S237-R241 PolarHBondContact O-N 2.83Å
238A81.1Confident77.7Confident20 Ų2076.2 Ų76.217%0.16539%0.387CS..Hα-helixtrans-68.3-39.7175.600000111.9F233 T235 T236 H242F233-A238 HydrophobicContact CB-CB 4.14Å; F233-A238 HydrophobicContact CD1-CB 4.01Å; F233-A238 HydrophobicContact CG-CB 4.36Å; T235-A238 PolarHBondContact O-N 3.11Å; T235-A238 VanDerWaalsContact OG1-CB 3.3Å; T235-A238 WeakPolarHBondContact OG1-CB 3.45Å; T235-A238 PolarHBondContact OG1-N 2.91Å; T236-A238 VanDerWaalsContact C-N 3.28Å; T236-A238 PolarHBondContact O-N 3.36Å; A238-H242 WeakPolarHBondContact O-CB 3.47Å; A238-H242 PolarHBondContact O-N 3.19Å
239L83.3Confident77Confident23 Ų2372.7 Ų72.712%0.1238%0.379CS..Hα-helixtrans-64-48.6173.4171.261.2000111.9M225 C226 F233 T235 T236 R241 H242 Q243M225-L239 WeakPolarHBondContact O-CD2 3.41Å; C226-L239 HydrophobicContact CB-CD1 3.67Å; F233-L239 HydrophobicContact CB-CB 4.3Å; F233-L239 HydrophobicContact CD2-CB 3.93Å; F233-L239 HydrophobicContact CD2-CD1 3.81Å; F233-L239 HydrophobicContact CD2-CG 4.48Å; F233-L239 HydrophobicContact CE2-CD1 4Å; F233-L239 HydrophobicContact CG-CB 4.27Å; T235-L239 PolarHBondContact O-N 3.3Å; T236-L239 WeakPolarHBondContact O-CB 3.42Å; T236-L239 PolarHBondContact O-N 2.94Å; T236-L239 VanDerWaalsContact O-N 3.11Å; L239-R241 VanDerWaalsContact C-N 3.32Å; L239-R241 PolarHBondContact O-N 3.45Å; L239-H242 CarbonylContact O-C 3.57Å; L239-H242 WeakPolarHBondContact O-CA 3.35Å; L239-H242 WeakPolarHBondContact O-CB 3.09Å; L239-H242 PolarHBondContact O-N 3.21Å; L239-Q243 HydrophobicContact CD1-CG 4.08Å; L239-Q243 HydrophobicContact CG-CG 4.49Å; L239-Q243 WeakPolarHBondContact O-CG 3.39Å; L239-Q243 PolarHBondContact O-N 3.36Å
240N80.1Confident76Confident105 Ų10579.9 Ų79.956%0.56141%0.405SS*.Hα-helixtrans-58.5-45.4178.2-104-17.5000111.3T236 H242 Q243T236-N240 PolarHBondContact O-N 2.87Å; N240-H242 VanDerWaalsContact C-N 3.3Å; N240-H242 PolarHBondContact O-N 3.2Å; N240-Q243 PolarHBondContact O-N 3.3Å; N240-Q243 PolarHBondContact OD1-OE1 3.02Å
241R74.4Confident75.4Confident143 Ų14379.9 Ų79.954%0.5441%0.405SS..Hα-helixtrans-59-44.6173.2-176.4176.164.5178.41.2110.7S237 L239 Q243 T244 W263S237-R241 VanDerWaalsContact O-CB 3.32Å; S237-R241 WeakPolarHBondContact O-CB 3.49Å; S237-R241 PolarHBondContact O-N 2.83Å; L239-R241 VanDerWaalsContact C-N 3.32Å; L239-R241 PolarHBondContact O-N 3.45Å; R241-Q243 VanDerWaalsContact C-N 3.34Å; R241-Q243 PolarHBondContact O-N 3.09Å; R241-T244 PolarHBondContact O-N 3.1Å; R241-T244 PolarHBondContact O-OG1 2.88Å; R241-T244 VanDerWaalsContact O-OG1 3.14Å; R241-W263 HydrophobicContact CG-CD2 4.3Å; R241-W263 HydrophobicContact CG-CE3 4.06Å; R241-W263 HydrophobicContact CG-CH2 3.57Å; R241-W263 HydrophobicContact CG-CZ2 3.84Å; R241-W263 HydrophobicContact CG-CZ3 3.65Å; R241-W263 WeakPolarHBondContact O-CH2 3.45Å; R241-W263 WeakPolarHBondContact O-CZ3 3.37Å
242H82Confident75.2Confident24 Ų2478.9 Ų78.911%0.11140%0.399CS..Hα-helixtrans-62.1-39.9177.5173.382.6000112.6C226 C229 F233 A238 L239 N240 T244 I245 H246C226-H242 VanDerWaalsContact SG-CD2 3.6Å; C229-H242 PolarHBondContact SG-NE2 2.98Å; F233-H242 HydrophobicContact CE1-CB 3.86Å; F233-H242 HydrophobicContact CE2-CB 3.82Å; F233-H242 AromaticContact CE2-CD2 3.71Å; F233-H242 AromaticContact CE2-CG 3.63Å; F233-H242 HydrophobicContact CZ-CB 3.39Å; F233-H242 AromaticContact CZ-CD2 3.71Å; F233-H242 AromaticContact CZ-CG 3.18Å; F233-H242 AromaticContact CZ-ND1 3.42Å; F233-H242 WeakPolarHBondContact CZ-ND1 3.47Å; A238-H242 WeakPolarHBondContact O-CB 3.47Å; A238-H242 PolarHBondContact O-N 3.19Å; L239-H242 CarbonylContact O-C 3.57Å; L239-H242 WeakPolarHBondContact O-CA 3.35Å; L239-H242 WeakPolarHBondContact O-CB 3.09Å; L239-H242 PolarHBondContact O-N 3.21Å; N240-H242 VanDerWaalsContact C-N 3.3Å; N240-H242 PolarHBondContact O-N 3.2Å; H242-T244 PolarHBondContact O-N 3.43Å; H242-T244 VanDerWaalsContact O-N 3.16Å; H242-I245 WeakPolarHBondContact CE1-CD1 3.36Å; H242-I245 WeakPolarHBondContact O-CG1 3.48Å; H242-I245 WeakPolarHBondContact O-CG2 3.5Å; H242-I245 PolarHBondContact O-N 3.49Å; H242-I245 VanDerWaalsContact O-N 3.08Å; H242-H246 AromaticContact CD2-NE2 3.82Å; H242-H246 AromaticContact CE1-NE2 3.97Å; H242-H246 AromaticContact NE2-CD2 3.94Å; H242-H246 AromaticContact NE2-NE2 3.11Å; H242-H246 PolarHBondContact NE2-NE2 3.32Å; H242-H246 VanDerWaalsContact NE2-NE2 3.11Å
243Q75.8Confident74.8Confident60 Ų6081.9 Ų81.928%0.2841%0.411SS..Hα-helixtrans-61.7-26.7-176.9-77.2175.2-27.200113.5L239 N240 R241 I245 H246L239-Q243 HydrophobicContact CD1-CG 4.08Å; L239-Q243 HydrophobicContact CG-CG 4.49Å; L239-Q243 WeakPolarHBondContact O-CG 3.39Å; L239-Q243 PolarHBondContact O-N 3.36Å; N240-Q243 PolarHBondContact O-N 3.3Å; N240-Q243 PolarHBondContact OD1-OE1 3.02Å; R241-Q243 VanDerWaalsContact C-N 3.34Å; R241-Q243 PolarHBondContact O-N 3.09Å; Q243-I245 PolarHBondContact O-N 2.77Å; Q243-I245 VanDerWaalsContact O-N 3.1Å; Q243-H246 PolarHBondContact O-N 3.1Å
244T71.5Confident74.5Confident49 Ų4980.5 Ų80.530%0.30141%0.405SS..THydrogen-bonded Turntrans-66.4-14.5178.380.20000113.6R241 H242 H246 T247 W263R241-T244 PolarHBondContact O-N 3.1Å; R241-T244 PolarHBondContact O-OG1 2.88Å; R241-T244 VanDerWaalsContact O-OG1 3.14Å; H242-T244 PolarHBondContact O-N 3.43Å; H242-T244 VanDerWaalsContact O-N 3.16Å; T244-H246 VanDerWaalsContact C-N 3.27Å; T244-T247 VanDerWaalsContact CA-OG1 3.31Å; T244-T247 WeakPolarHBondContact CA-OG1 3.41Å; T244-T247 PolarHBondContact O-OG1 3.48Å; T244-W263 HydrophobicContact CG2-CH2 4.46Å; T244-W263 HydrophobicContact CG2-CZ3 3.8Å; T244-W263 WeakPolarHBondContact OG1-CH2 3.41Å; T244-W263 WeakPolarHBondContact OG1-CZ3 3.34Å
245I73.6Confident74.4Confident78 Ų7884 Ų8440%0.444%0.438SS..THydrogen-bonded Turntrans-74.1-24.3175.283.5-175000111.7H242 Q243H242-I245 WeakPolarHBondContact CE1-CD1 3.36Å; H242-I245 WeakPolarHBondContact O-CG1 3.48Å; H242-I245 WeakPolarHBondContact O-CG2 3.5Å; H242-I245 PolarHBondContact O-N 3.49Å; H242-I245 VanDerWaalsContact O-N 3.08Å; Q243-I245 PolarHBondContact O-N 2.77Å; Q243-I245 VanDerWaalsContact O-N 3.1Å
246H72.8Confident74.3Confident65 Ų6586.7 Ų86.730%0.30145%0.447SS..THydrogen-bonded Turntrans-85.5-27.5179.4-62.2-58.8000111.7C226 I228 H242 Q243 T244C226-H246 PolarHBondContact SG-NE2 3.35Å; C226-H246 VanDerWaalsContact SG-NE2 3.41Å; I228-H246 HydrophobicContact CD1-CB 3.4Å; I228-H246 VanDerWaalsContact CD1-CB 3.4Å; I228-H246 HydrophobicContact CG2-CB 4.24Å; I228-H246 WeakPolarHBondContact CG2-ND1 3.4Å; H242-H246 AromaticContact CD2-NE2 3.82Å; H242-H246 AromaticContact CE1-NE2 3.97Å; H242-H246 AromaticContact NE2-CD2 3.94Å; H242-H246 AromaticContact NE2-NE2 3.11Å; H242-H246 PolarHBondContact NE2-NE2 3.32Å; H242-H246 VanDerWaalsContact NE2-NE2 3.11Å; Q243-H246 PolarHBondContact O-N 3.1Å; T244-H246 VanDerWaalsContact C-N 3.27Å
247T64.8Low74.4Confident85 Ų8586.2 Ų86.252%0.52145%0.445SS..THydrogen-bonded Turntrans-79.8136.3166.1590000108.8T244 G249T244-T247 VanDerWaalsContact CA-OG1 3.31Å; T244-T247 WeakPolarHBondContact CA-OG1 3.41Å; T244-T247 PolarHBondContact O-OG1 3.48Å; T247-G249 PolarHBondContact O-N 3.43Å
248E60.9Low74.2Confident195 Ų19584.6 Ų84.691%0.91144%0.442SS*.THydrogen-bonded Turntrans-65.473.1173.1-66-178.2160.800110.6
249G60.2Low74Confident41 Ų4189.2 Ų89.242%0.42346%0.458SS..PPolyproline II helixtrans-63.1135-153.800000114.7T247 R251T247-G249 PolarHBondContact O-N 3.43Å; G249-R251 PolarHBondContact O-N 2.96Å; G249-R251 VanDerWaalsContact O-N 3.11Å
250K58.5Low73.6Confident201 Ų20190.8 Ų90.887%0.87447%0.471SS*.PPolyproline II helixtrans-51.4116.1160.6-76.4177177.3176.90108.4
251R72.4Confident73.5Confident166 Ų16687.7 Ų87.763%0.62645%0.453SS*.PPolyproline II helixtrans-77.6143.5173.8-58.8-173.6-179-175.80.4109.4G249 S260 F261G249-R251 PolarHBondContact O-N 2.96Å; G249-R251 VanDerWaalsContact O-N 3.11Å; R251-S260 WeakPolarHBondContact CD-OG 3.44Å; R251-S260 PolarHBondContact NH1-OG 3.41Å; R251-S260 VanDerWaalsContact NH1-OG 3.17Å; R251-F261 CarbonylContact C-O 3.57Å; R251-F261 WeakPolarHBondContact CA-O 3.37Å
252Y75.3Confident73.4Confident102 Ų10286.2 Ų86.240%0.445%0.45SS..EExtended strand (participates in β ladder)trans-83.2116.8171.3-65.4-83.4000109S260 F261 W263 M264Y252-S260 CarbonylContact O-C 3.52Å; Y252-F261 PolarHBondContact N-O 3.15Å; Y252-F261 PolarHBondContact O-N 3.13Å; Y252-W263 VanDerWaalsContact CD2-C 3.47Å; Y252-M264 HydrophobicContact CD1-CB 4.19Å; Y252-M264 HydrophobicContact CD1-CE 4.15Å; Y252-M264 HydrophobicContact CD2-CB 4.48Å; Y252-M264 HydrophobicContact CE1-CB 4.09Å; Y252-M264 HydrophobicContact CE1-CE 3.61Å; Y252-M264 HydrophobicContact CE2-CB 4.37Å; Y252-M264 HydrophobicContact CG-CB 4.38Å
253I74.6Confident72.9Confident110 Ų11087.9 Ų87.956%0.56446%0.455SS*.EExtended strand (participates in β ladder)trans-99.3131.4-175.9-58.2175.7000109.1A255 K259I253-A255 PolarHBondContact O-N 3.04Å; I253-K259 WeakPolarHBondContact CA-O 3.42Å
254C81.5Confident72.9Confident1 Ų190.4 Ų90.41%0.00747%0.469CS..PPolyproline II helixtrans-67120.5171.2-178.80000110.1F256 C257 G258 K259 F261 L267 H270C254-F256 PolarHBondContact O-N 3.15Å; C254-C257 VanDerWaalsContact SG-SG 3.63Å; C254-G258 VanDerWaalsContact O-CA 3.25Å; C254-G258 WeakPolarHBondContact O-CA 3.3Å; C254-G258 PolarHBondContact O-N 3.16Å; C254-K259 HydrophobicContact CB-CB 4.48Å; C254-K259 PolarHBondContact N-O 3.06Å; C254-F261 HydrophobicContact CB-CE2 4.05Å; C254-L267 VanDerWaalsContact CA-CD1 3.4Å; C254-L267 HydrophobicContact CB-CD1 3.47Å; C254-L267 VanDerWaalsContact CB-CD1 3.47Å; C254-H270 PolarHBondContact SG-NE2 2.91Å; C254-H270 VanDerWaalsContact SG-NE2 3.41Å
255A79.6Confident73.3Confident100 Ų10094.7 Ų94.783%0.82649%0.485SS*.THydrogen-bonded Turntrans-63.6-27.6178.800000112.9I253I253-A255 PolarHBondContact O-N 3.04Å
256F78.5Confident73.8Confident102 Ų10292.4 Ų92.445%0.44748%0.476SS..THydrogen-bonded Turntrans-83.7-31.6-176.6-59.3-77.4000114.1C254 V271 H275 D278C254-F256 PolarHBondContact O-N 3.15Å; F256-V271 HydrophobicContact CD2-CG1 4.26Å; F256-V271 HydrophobicContact CD2-CG2 4.41Å; F256-V271 HydrophobicContact CE2-CG1 3.9Å; F256-H275 HydrophobicContact CD2-CB 4.12Å; F256-H275 HydrophobicContact CG-CB 4.32Å; F256-D278 HydrophobicContact CE1-CB 3.74Å; F256-D278 HydrophobicContact CZ-CB 3.91Å
257C83.2Confident74.3Confident55 Ų5590.6 Ų90.637%0.37247%0.469SS..THydrogen-bonded Turntrans-135.65-175.470.50000115.3C254 K259 H270 H275C254-C257 VanDerWaalsContact SG-SG 3.63Å; C257-K259 PolarHBondContact O-N 3.4Å; C257-K259 VanDerWaalsContact O-N 3.11Å; C257-K259 VanDerWaalsContact SG-CG 3.59Å; C257-H270 PolarHBondContact SG-NE2 2.76Å; C257-H275 PolarHBondContact SG-NE2 3.21Å; C257-H275 VanDerWaalsContact SG-NE2 3.36Å
258G73.6Confident75.2Confident51 Ų5187.5 Ų87.553%0.52645%0.454SS..  trans69.64.717600000115.3C254 S260C254-G258 VanDerWaalsContact O-CA 3.25Å; C254-G258 WeakPolarHBondContact O-CA 3.3Å; C254-G258 PolarHBondContact O-N 3.16Å; G258-S260 PolarHBondContact O-N 2.88Å
259K77.4Confident76.4Confident118 Ų11885.8 Ų85.851%0.51344%0.439SS..  trans-67.4129.4179-72.4-178.8-176.9-1780110.8I253 C254 C257 F261I253-K259 WeakPolarHBondContact CA-O 3.42Å; C254-K259 HydrophobicContact CB-CB 4.48Å; C254-K259 PolarHBondContact N-O 3.06Å; C257-K259 PolarHBondContact O-N 3.4Å; C257-K259 VanDerWaalsContact O-N 3.11Å; C257-K259 VanDerWaalsContact SG-CG 3.59Å; K259-F261 HydrophobicContact CB-CE2 3.63Å; K259-F261 HydrophobicContact CB-CZ 3.84Å; K259-F261 VanDerWaalsContact O-CD2 3.31Å; K259-F261 WeakPolarHBondContact O-CD2 3.44Å; K259-F261 VanDerWaalsContact O-CE2 3.29Å; K259-F261 WeakPolarHBondContact O-CE2 3.38Å
260S74.9Confident77.7Confident55 Ų5584.6 Ų84.639%0.38542%0.422SS..EExtended strand (participates in β ladder)trans-90.5126.9178.5760000111R251 Y252 G258R251-S260 WeakPolarHBondContact CD-OG 3.44Å; R251-S260 PolarHBondContact NH1-OG 3.41Å; R251-S260 VanDerWaalsContact NH1-OG 3.17Å; Y252-S260 CarbonylContact O-C 3.52Å; G258-S260 PolarHBondContact O-N 2.88Å
261F77.6Confident79Confident40 Ų4076.8 Ų76.818%0.17539%0.391CS..EExtended strand (participates in β ladder)trans-113.1147.2176.1-61.3-87.4000109.5R251 Y252 C254 K259 W263 L267 H270R251-F261 CarbonylContact C-O 3.57Å; R251-F261 WeakPolarHBondContact CA-O 3.37Å; Y252-F261 PolarHBondContact N-O 3.15Å; Y252-F261 PolarHBondContact O-N 3.13Å; C254-F261 HydrophobicContact CB-CE2 4.05Å; K259-F261 HydrophobicContact CB-CE2 3.63Å; K259-F261 HydrophobicContact CB-CZ 3.84Å; K259-F261 VanDerWaalsContact O-CD2 3.31Å; K259-F261 WeakPolarHBondContact O-CD2 3.44Å; K259-F261 VanDerWaalsContact O-CE2 3.29Å; K259-F261 WeakPolarHBondContact O-CE2 3.38Å; F261-W263 PolarHBondContact O-N 3.44Å; F261-L267 HydrophobicContact CB-CB 4.17Å; F261-L267 HydrophobicContact CD2-CB 3.88Å; F261-L267 HydrophobicContact CD2-CD1 3.65Å; F261-L267 HydrophobicContact CD2-CG 4.35Å; F261-L267 HydrophobicContact CE2-CD1 3.82Å; F261-L267 HydrophobicContact CG-CB 4.1Å; F261-H270 HydrophobicContact CE1-CB 3.78Å; F261-H270 AromaticContact CE1-CG 3.99Å; F261-H270 HydrophobicContact CE2-CB 4.1Å; F261-H270 AromaticContact CE2-CD2 3.39Å; F261-H270 WeakPolarHBondContact CE2-CD2 3.3Å; F261-H270 AromaticContact CE2-CG 3.74Å; F261-H270 HydrophobicContact CZ-CB 3.46Å; F261-H270 VanDerWaalsContact CZ-CB 3.46Å; F261-H270 AromaticContact CZ-CD2 3.34Å; F261-H270 WeakPolarHBondContact CZ-CD2 3.16Å; F261-H270 AromaticContact CZ-CG 3.19Å; F261-H270 AromaticContact CZ-ND1 3.73Å; F261-H270 AromaticContact CZ-NE2 3.93Å
262K72.3Confident79.6Confident112 Ų11277.1 Ų77.149%0.48739%0.393SS..SBendtrans-70.5-25.1174.1-165.2173.2179.2175.50112.2
263W72Confident80.2Confident59 Ų5976 Ų7622%0.22340%0.4CS..SBendtrans-134.5149.8-170.3-42.2120.7000112.4R241 T244 Y252 F261 S266 L267R241-W263 HydrophobicContact CG-CD2 4.3Å; R241-W263 HydrophobicContact CG-CE3 4.06Å; R241-W263 HydrophobicContact CG-CH2 3.57Å; R241-W263 HydrophobicContact CG-CZ2 3.84Å; R241-W263 HydrophobicContact CG-CZ3 3.65Å; R241-W263 WeakPolarHBondContact O-CH2 3.45Å; R241-W263 WeakPolarHBondContact O-CZ3 3.37Å; T244-W263 HydrophobicContact CG2-CH2 4.46Å; T244-W263 HydrophobicContact CG2-CZ3 3.8Å; T244-W263 WeakPolarHBondContact OG1-CH2 3.41Å; T244-W263 WeakPolarHBondContact OG1-CZ3 3.34Å; Y252-W263 VanDerWaalsContact CD2-C 3.47Å; F261-W263 PolarHBondContact O-N 3.44Å; W263-S266 PolarHBondContact O-N 3.47Å; W263-L267 PolarHBondContact O-N 3.49Å; W263-L267 VanDerWaalsContact O-N 3.11Å
264M76.1Confident80.7Confident113 Ų11374.8 Ų74.856%0.55740%0.397SS*.Hα-helixtrans-68.5-36.2177.6-175.8178.1-73.800111.7Y252 L267 G268Y252-M264 HydrophobicContact CD1-CB 4.19Å; Y252-M264 HydrophobicContact CD1-CE 4.15Å; Y252-M264 HydrophobicContact CD2-CB 4.48Å; Y252-M264 HydrophobicContact CE1-CB 4.09Å; Y252-M264 HydrophobicContact CE1-CE 3.61Å; Y252-M264 HydrophobicContact CE2-CB 4.37Å; Y252-M264 HydrophobicContact CG-CB 4.38Å; M264-L267 CarbonylContact O-C 3.59Å; M264-L267 WeakPolarHBondContact O-CB 3.41Å; M264-L267 PolarHBondContact O-N 3.42Å; M264-G268 PolarHBondContact O-N 3.01Å
265E79.2Confident80.8Confident139 Ų13976.4 Ų76.465%0.6541%0.405SS*.Hα-helixtrans-67-39.3178.3-56.283.8170.800111.2L267 G268 R269E265-L267 VanDerWaalsContact C-N 3.35Å; E265-G268 PolarHBondContact O-N 3.18Å; E265-R269 WeakPolarHBondContact O-CB 3.38Å; E265-R269 PolarHBondContact O-N 2.97Å
266S84Confident80.4Confident30 Ų3080.3 Ų80.321%0.2140%0.403CS..Hα-helixtrans-62.9-42.7173-68.40000111.4W263 H270W263-S266 PolarHBondContact O-N 3.47Å; S266-H270 VanDerWaalsContact O-CB 3.32Å; S266-H270 WeakPolarHBondContact O-CB 3.44Å; S266-H270 PolarHBondContact O-N 3.31Å
267L83.5Confident79.5Confident28 Ų2880.7 Ų80.715%0.14742%0.418CS..Hα-helixtrans-62.6-48.5173.3171.460.4000111.1C254 F261 W263 M264 E265 R269 H270 V271C254-L267 VanDerWaalsContact CA-CD1 3.4Å; C254-L267 HydrophobicContact CB-CD1 3.47Å; C254-L267 VanDerWaalsContact CB-CD1 3.47Å; F261-L267 HydrophobicContact CB-CB 4.17Å; F261-L267 HydrophobicContact CD2-CB 3.88Å; F261-L267 HydrophobicContact CD2-CD1 3.65Å; F261-L267 HydrophobicContact CD2-CG 4.35Å; F261-L267 HydrophobicContact CE2-CD1 3.82Å; F261-L267 HydrophobicContact CG-CB 4.1Å; W263-L267 PolarHBondContact O-N 3.49Å; W263-L267 VanDerWaalsContact O-N 3.11Å; M264-L267 CarbonylContact O-C 3.59Å; M264-L267 WeakPolarHBondContact O-CB 3.41Å; M264-L267 PolarHBondContact O-N 3.42Å; E265-L267 VanDerWaalsContact C-N 3.35Å; L267-R269 PolarHBondContact O-N 3.24Å; L267-H270 CarbonylContact O-C 3.59Å; L267-H270 WeakPolarHBondContact O-CB 3.42Å; L267-H270 PolarHBondContact O-N 3Å; L267-H270 VanDerWaalsContact O-N 3.11Å; L267-V271 HydrophobicContact CD1-CG2 3.78Å; L267-V271 HydrophobicContact CG-CG2 4.32Å; L267-V271 WeakPolarHBondContact O-CG2 3.47Å; L267-V271 PolarHBondContact O-N 2.74Å
268G84.8Confident78.3Confident20 Ų2082.6 Ų82.621%0.20643%0.425CS..Hα-helixtrans-61.8-40.5179.900000112.7M264 E265 V271 R272M264-G268 PolarHBondContact O-N 3.01Å; E265-G268 PolarHBondContact O-N 3.18Å; G268-V271 PolarHBondContact O-N 3.27Å; G268-R272 WeakPolarHBondContact O-CB 3.48Å; G268-R272 VanDerWaalsContact O-CG 3.31Å; G268-R272 WeakPolarHBondContact O-CG 3.36Å; G268-R272 PolarHBondContact O-N 2.73Å
269R86.3Confident77.4Confident159 Ų15987.5 Ų87.560%0.644%0.439SS*.Hα-helixtrans-62.6-44.5172179.2171.257.7174.1-2111.3E265 L267 R272 S273E265-R269 WeakPolarHBondContact O-CB 3.38Å; E265-R269 PolarHBondContact O-N 2.97Å; L267-R269 PolarHBondContact O-N 3.24Å; R269-R272 PolarHBondContact O-N 3.25Å; R269-S273 WeakPolarHBondContact O-CB 3.34Å; R269-S273 PolarHBondContact O-N 3.35Å; R269-S273 PolarHBondContact O-OG 2.81Å; R269-S273 VanDerWaalsContact O-OG 3.05Å
270H86.3Confident75.8Confident16 Ų1688 Ų887%0.07445%0.451CS..Hα-helixtrans-61.8-45.8176.9162.469.7000112.4C254 C257 F261 S266 L267 R272 S273 V274 H275C254-H270 PolarHBondContact SG-NE2 2.91Å; C254-H270 VanDerWaalsContact SG-NE2 3.41Å; C257-H270 PolarHBondContact SG-NE2 2.76Å; F261-H270 HydrophobicContact CE1-CB 3.78Å; F261-H270 AromaticContact CE1-CG 3.99Å; F261-H270 HydrophobicContact CE2-CB 4.1Å; F261-H270 AromaticContact CE2-CD2 3.39Å; F261-H270 WeakPolarHBondContact CE2-CD2 3.3Å; F261-H270 AromaticContact CE2-CG 3.74Å; F261-H270 HydrophobicContact CZ-CB 3.46Å; F261-H270 VanDerWaalsContact CZ-CB 3.46Å; F261-H270 AromaticContact CZ-CD2 3.34Å; F261-H270 WeakPolarHBondContact CZ-CD2 3.16Å; F261-H270 AromaticContact CZ-CG 3.19Å; F261-H270 AromaticContact CZ-ND1 3.73Å; F261-H270 AromaticContact CZ-NE2 3.93Å; S266-H270 VanDerWaalsContact O-CB 3.32Å; S266-H270 WeakPolarHBondContact O-CB 3.44Å; S266-H270 PolarHBondContact O-N 3.31Å; L267-H270 CarbonylContact O-C 3.59Å; L267-H270 WeakPolarHBondContact O-CB 3.42Å; L267-H270 PolarHBondContact O-N 3Å; L267-H270 VanDerWaalsContact O-N 3.11Å; H270-R272 PolarHBondContact O-N 3.31Å; H270-S273 PolarHBondContact O-N 2.87Å; H270-S273 PolarHBondContact O-OG 3.09Å; H270-V274 WeakPolarHBondContact ND1-CG2 3.29Å; H270-V274 VanDerWaalsContact O-CB 3.27Å; H270-V274 WeakPolarHBondContact O-CB 3.22Å; H270-V274 WeakPolarHBondContact O-CG2 3.4Å; H270-V274 PolarHBondContact O-N 2.89Å; H270-H275 AromaticContact CE1-NE2 3.73Å; H270-H275 AromaticContact NE2-CD2 3.66Å; H270-H275 AromaticContact NE2-NE2 3.33Å; H270-H275 PolarHBondContact NE2-NE2 3.46Å
271V85.6Confident74.2Confident37 Ų3793.9 Ų93.922%0.22447%0.473CS..Hα-helixtrans-61.7-45.9177.5173.20000110.3F256 L267 G268 S273 H275F256-V271 HydrophobicContact CD2-CG1 4.26Å; F256-V271 HydrophobicContact CD2-CG2 4.41Å; F256-V271 HydrophobicContact CE2-CG1 3.9Å; L267-V271 HydrophobicContact CD1-CG2 3.78Å; L267-V271 HydrophobicContact CG-CG2 4.32Å; L267-V271 WeakPolarHBondContact O-CG2 3.47Å; L267-V271 PolarHBondContact O-N 2.74Å; G268-V271 PolarHBondContact O-N 3.27Å; V271-S273 PolarHBondContact O-N 3.44Å; V271-H275 HydrophobicContact CG1-CB 4.31Å; V271-H275 CarbonylContact O-C 3.59Å; V271-H275 VanDerWaalsContact O-C 3.3Å; V271-H275 VanDerWaalsContact O-CA 3.25Å; V271-H275 WeakPolarHBondContact O-CA 3.09Å; V271-H275 WeakPolarHBondContact O-CB 3.5Å; V271-H275 PolarHBondContact O-N 3.41Å
272R86Confident72.2Confident173 Ų173102.3 Ų102.365%0.65353%0.527SS*.Hα-helixtrans-65.1-34.4177.9-72.8-172.4-64.1-99.14.3114G268 R269 H270 K276G268-R272 WeakPolarHBondContact O-CB 3.48Å; G268-R272 VanDerWaalsContact O-CG 3.31Å; G268-R272 WeakPolarHBondContact O-CG 3.36Å; G268-R272 PolarHBondContact O-N 2.73Å; R269-R272 PolarHBondContact O-N 3.25Å; H270-R272 PolarHBondContact O-N 3.31Å; R272-K276 WeakPolarHBondContact O-CG 3.36Å
273S86.5Confident72.2Confident79 Ų79101.8 Ų101.855%0.55253%0.529SS*.Hα-helixtrans-87.6-34.3-177660000113.5R269 H270 V271R269-S273 WeakPolarHBondContact O-CB 3.34Å; R269-S273 PolarHBondContact O-N 3.35Å; R269-S273 PolarHBondContact O-OG 2.81Å; R269-S273 VanDerWaalsContact O-OG 3.05Å; H270-S273 PolarHBondContact O-N 2.87Å; H270-S273 PolarHBondContact O-OG 3.09Å; V271-S273 PolarHBondContact O-N 3.44Å
274V85Confident72.3Confident83 Ų83104.1 Ų104.150%0.50355%0.545SS..Hα-helixtrans-103.2-30.8-173.1-176.20000112.4H270H270-V274 WeakPolarHBondContact ND1-CG2 3.29Å; H270-V274 VanDerWaalsContact O-CB 3.27Å; H270-V274 WeakPolarHBondContact O-CB 3.22Å; H270-V274 WeakPolarHBondContact O-CG2 3.4Å; H270-V274 PolarHBondContact O-N 2.89Å
275H84.6Confident72Confident36 Ų36103.6 Ų103.617%0.16754%0.544CS..SBendtrans-115.332.3-175.6-58-64.3000112.3F256 C257 H270 V271 S277 D278F256-H275 HydrophobicContact CD2-CB 4.12Å; F256-H275 HydrophobicContact CG-CB 4.32Å; C257-H275 PolarHBondContact SG-NE2 3.21Å; C257-H275 VanDerWaalsContact SG-NE2 3.36Å; H270-H275 AromaticContact CE1-NE2 3.73Å; H270-H275 AromaticContact NE2-CD2 3.66Å; H270-H275 AromaticContact NE2-NE2 3.33Å; H270-H275 PolarHBondContact NE2-NE2 3.46Å; V271-H275 HydrophobicContact CG1-CB 4.31Å; V271-H275 CarbonylContact O-C 3.59Å; V271-H275 VanDerWaalsContact O-C 3.3Å; V271-H275 VanDerWaalsContact O-CA 3.25Å; V271-H275 WeakPolarHBondContact O-CA 3.09Å; V271-H275 WeakPolarHBondContact O-CB 3.5Å; V271-H275 PolarHBondContact O-N 3.41Å; H275-S277 PolarHBondContact O-N 3.01Å; H275-D278 PolarHBondContact O-N 2.67Å; H275-D278 VanDerWaalsContact O-N 3.16Å
276K71.8Confident71.6Confident182 Ų182101.5 Ų101.579%0.79154%0.538SS*.THydrogen-bonded Turntrans-52-3.1-170.4-152.1170.4-174-176.20116.8R272R272-K276 WeakPolarHBondContact O-CG 3.36Å
277S58.9Low70.9Confident109 Ų109105.9 Ų105.976%0.76256%0.559SS**THydrogen-bonded Turntrans-102.5-21.3-177.3-39.60000114.8H275H275-S277 PolarHBondContact O-N 3.01Å
278D57.4Low70Confident96 Ų96111.1 Ų111.151%0.51359%0.586SS.*  trans-115.271-170.2-60.2-32.9000110.3F256 H275 V280F256-D278 HydrophobicContact CE1-CB 3.74Å; F256-D278 HydrophobicContact CZ-CB 3.91Å; H275-D278 PolarHBondContact O-N 2.67Å; H275-D278 VanDerWaalsContact O-N 3.16Å; D278-V280 PolarHBondContact O-N 3.33Å
279N54.7Low69Low154 Ų154117.6 Ų117.682%0.82461%0.613SS**  trans-78.890.5166.2-166-17.5000108.3
280V45Very low67.6Low127 Ų127114.5 Ų114.577%0.7761%0.614SS**  trans-130.3129.6158.1-177.20000108.2D278D278-V280 PolarHBondContact O-N 3.33Å
281Q40.8Very low66.1Low179 Ų179122.7 Ų122.784%0.83666%0.659SS**  trans-46.8142-176.4-65.8160.7-38.100113.3
282V36.5Very low64.3Low217 Ų217130.5 Ų130.5100%1.31570%0.699SS**  trans-990155.5178.20000107.4

Retrieved 282 of 282 residues in 133.1 ms (Link to these results)

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