A0A087XA56_POEFO Loading...

F-box domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XA56, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 352 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
1Y37.6Very low50.2Low287 Ų287159.9 Ų159.9100%1.12579%0.788SS**  099.50-81-95.8000108.8
2K40.3Very low51.7Low208 Ų208154.8 Ų154.890%0.90477%0.766SS**  trans-77.9117.1167.7-98.6177.9173175.40106.4D4K2-D4 PolarHBondContact O-N 2.93Å
3M40.2Very low53.6Low186 Ų186158.3 Ų158.392%0.91677%0.767SS**  trans-63.8111.7163.5-84.4-177.916500106.7E5M3-E5 VanDerWaalsContact C-N 3.31Å; M3-E5 PolarHBondContact O-N 3.2Å
4D45Very low55.5Low156 Ų156154 Ų15483%0.83474%0.743SS**  trans-60.2103159.5-90.5-35.8000106.4K2 F6K2-D4 PolarHBondContact O-N 2.93Å; D4-F6 PolarHBondContact O-N 3.29Å
5E47.3Very low57.6Low170 Ų170148.5 Ų148.579%0.79473%0.725SS**  trans-48.9118.1159.1-75.3-178.4145.500106.3M3 K7M3-E5 VanDerWaalsContact C-N 3.31Å; M3-E5 PolarHBondContact O-N 3.2Å; E5-K7 PolarHBondContact O-N 2.88Å
6F47.9Very low59.5Low209 Ų209144.5 Ų144.592%0.91770%0.704SS**  trans-53.990.8162.2-106.9-98.7000106.6D4 G8D4-F6 PolarHBondContact O-N 3.29Å; F6-G8 PolarHBondContact O-N 3.39Å
7K51.6Low61.2Low195 Ų195140.8 Ų140.885%0.84869%0.688SS**  trans-52.9110.6170.5-84.9-179.3176.1173.90105.1E5 C9E5-K7 PolarHBondContact O-N 2.88Å; K7-C9 PolarHBondContact O-N 2.95Å
8G53.6Low62.8Low60 Ų60136.6 Ų136.662%0.61967%0.669SS**  trans-43.6137.9-17400000110.8F6 N10F6-G8 PolarHBondContact O-N 3.39Å; G8-N10 PolarHBondContact O-N 3.44Å
9C54.9Low64.2Low124 Ų124129.7 Ų129.784%0.83864%0.635SS**  trans-39.794.8-175.7-48.90000111.1K7 L11K7-C9 PolarHBondContact O-N 2.95Å; C9-L11 PolarHBondContact O-N 3.41Å
10N67.3Low65.6Low78 Ų78123.9 Ų123.942%0.41761%0.607SS.*  trans-78.7116.8-172.4-170.8-8.4000108G8 D12 Y13G8-N10 PolarHBondContact O-N 3.44Å; N10-D12 VanDerWaalsContact CG-OD2 3.31Å; N10-D12 PolarHBondContact ND2-OD2 3.14Å; N10-D12 PolarHBondContact O-N 3.13Å; N10-D12 WeakPolarHBondContact OD1-CB 3.21Å; N10-D12 PolarHBondContact OD1-N 2.78Å; N10-D12 PolarHBondContact OD1-OD2 3.04Å; N10-D12 VanDerWaalsContact OD1-OD2 3.05Å; N10-Y13 HydrophobicContact CB-CD2 4.06Å; N10-Y13 HydrophobicContact CB-CE2 4.01Å; N10-Y13 WeakPolarHBondContact O-CD2 3.28Å; N10-Y13 PolarHBondContact O-N 2.75Å; N10-Y13 VanDerWaalsContact O-N 3.13Å
11L66.4Low66.8Low86 Ų86121.8 Ų121.845%0.4560%0.598SS.*G310 helixtrans-54-14.6175-74.1160.6000112.7C9 Y13 F14 L19 R40 W41C9-L11 PolarHBondContact O-N 3.41Å; L11-Y13 PolarHBondContact O-N 3.38Å; L11-F14 HydrophobicContact CD2-CD2 4.3Å; L11-F14 PolarHBondContact O-N 3.4Å; L11-L19 HydrophobicContact CD2-CD2 4Å; L11-R40 PolarHBondContact O-NH1 3.16Å; L11-W41 HydrophobicContact CD1-CZ2 4.13Å
12D68.3Low69.4Low99 Ų99112.2 Ų112.253%0.52957%0.569SS.*G310 helixtrans-57.2-31174.1-70.4-30000114.2N10 R40N10-D12 VanDerWaalsContact CG-OD2 3.31Å; N10-D12 PolarHBondContact ND2-OD2 3.14Å; N10-D12 PolarHBondContact O-N 3.13Å; N10-D12 WeakPolarHBondContact OD1-CB 3.21Å; N10-D12 PolarHBondContact OD1-N 2.78Å; N10-D12 PolarHBondContact OD1-OD2 3.04Å; N10-D12 VanDerWaalsContact OD1-OD2 3.05Å; D12-R40 VanDerWaalsContact CA-NH1 3.25Å; D12-R40 PolarHBondContact O-NH1 2.92Å; D12-R40 IonicContact OD1-NH1 2.75Å
13Y76.1Confident71.8Confident200 Ų200102.4 Ų102.478%0.78453%0.527SS*.G310 helixtrans-82.5-12.5-178.6-63.8-76.5000114.6N10 L11N10-Y13 HydrophobicContact CB-CD2 4.06Å; N10-Y13 HydrophobicContact CB-CE2 4.01Å; N10-Y13 WeakPolarHBondContact O-CD2 3.28Å; N10-Y13 PolarHBondContact O-N 2.75Å; N10-Y13 VanDerWaalsContact O-N 3.13Å; L11-Y13 PolarHBondContact O-N 3.38Å
14F80.3Confident74.3Confident98 Ų9896.8 Ų96.843%0.4351%0.506SS..SBendtrans-75138.2-179.9-79.2-91.5000111.2L11 I18 L19 R40L11-F14 HydrophobicContact CD2-CD2 4.3Å; L11-F14 PolarHBondContact O-N 3.4Å; F14-I18 HydrophobicContact CD1-CB 4.48Å; F14-I18 HydrophobicContact CD1-CG2 3.93Å; F14-L19 HydrophobicContact CB-CD1 4.42Å; F14-L19 HydrophobicContact CB-CD2 3.95Å; F14-L19 HydrophobicContact CB-CG 3.96Å; F14-R40 PolarHBondContact O-NH2 3.01Å
15P87.4Confident76.5Confident72 Ų7299 Ų9947%0.46850%0.504SS..  trans-57.5147.3170.2-26.436000112.6N17 I18 L19P15-N17 WeakPolarHBondContact CB-OD1 3.32Å; P15-N17 PolarHBondContact O-N 3.47Å; P15-I18 HydrophobicContact CB-CG1 4.24Å; P15-I18 HydrophobicContact CG-CG1 4.35Å; P15-I18 PolarHBondContact O-N 3.42Å; P15-I18 VanDerWaalsContact O-N 3.15Å; P15-L19 PolarHBondContact O-N 3.43Å
16E87.8Confident78.6Confident84 Ų8493.8 Ų93.839%0.39348%0.481SS..Hα-helixtrans-59.4-33.4-177.3-67.9-164161.500112.8L19 I20 R43 L44E16-L19 PolarHBondContact O-N 2.88Å; E16-I20 WeakPolarHBondContact O-CD1 3.2Å; E16-I20 VanDerWaalsContact O-CG1 3.27Å; E16-I20 WeakPolarHBondContact O-CG1 3.48Å; E16-I20 PolarHBondContact O-N 2.83Å; E16-R43 IonicContact OE1-CZ 2.89Å; E16-R43 IonicContact OE1-NH1 2.68Å; E16-R43 PolarHBondContact OE1-NH1 2.86Å; E16-R43 IonicContact OE1-NH2 3.18Å; E16-L44 HydrophobicContact CB-CD2 3.67Å; E16-L44 HydrophobicContact CG-CD2 3.8Å
17N89.1Confident80.6Confident81 Ų8186.6 Ų86.643%0.43346%0.457SS..Hα-helixtrans-64.3-42176.860.8-63.7000112.6P15 L19 I20 D21P15-N17 WeakPolarHBondContact CB-OD1 3.32Å; P15-N17 PolarHBondContact O-N 3.47Å; N17-L19 VanDerWaalsContact C-N 3.32Å; N17-L19 PolarHBondContact O-N 2.87Å; N17-I20 PolarHBondContact O-N 2.81Å; N17-D21 VanDerWaalsContact O-CG 3.23Å; N17-D21 PolarHBondContact O-N 3.14Å
18I89.8Confident82.5Confident66 Ų6678 Ų7834%0.33842%0.42SS..Hα-helixtrans-66-39.9178.6-56-59.2000110.1F14 P15 I20 D21 V22F14-I18 HydrophobicContact CD1-CB 4.48Å; F14-I18 HydrophobicContact CD1-CG2 3.93Å; P15-I18 HydrophobicContact CB-CG1 4.24Å; P15-I18 HydrophobicContact CG-CG1 4.35Å; P15-I18 PolarHBondContact O-N 3.42Å; P15-I18 VanDerWaalsContact O-N 3.15Å; I18-I20 VanDerWaalsContact C-N 3.34Å; I18-I20 PolarHBondContact O-N 3.09Å; I18-D21 PolarHBondContact O-N 3.41Å; I18-V22 WeakPolarHBondContact O-CG2 3.34Å; I18-V22 PolarHBondContact O-N 2.71Å
19L89.5Confident84.3Confident6 Ų680.7 Ų80.73%0.03141%0.412CS..Hα-helixtrans-65.5-37.9175.7-66.2175.6000112.1L11 F14 P15 E16 N17 D21 V22 L23 R40 L44L11-L19 HydrophobicContact CD2-CD2 4Å; F14-L19 HydrophobicContact CB-CD1 4.42Å; F14-L19 HydrophobicContact CB-CD2 3.95Å; F14-L19 HydrophobicContact CB-CG 3.96Å; P15-L19 PolarHBondContact O-N 3.43Å; E16-L19 PolarHBondContact O-N 2.88Å; N17-L19 VanDerWaalsContact C-N 3.32Å; N17-L19 PolarHBondContact O-N 2.87Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-V22 PolarHBondContact O-N 3.35Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 2.97Å; L19-R40 VanDerWaalsContact CD1-CZ 3.49Å; L19-R40 VanDerWaalsContact CD1-NH2 3.32Å; L19-L44 HydrophobicContact CB-CD1 3.82Å; L19-L44 HydrophobicContact CD1-CD1 3.71Å; L19-L44 HydrophobicContact CG-CD1 4.44Å
20I91.2Very high86.1Confident13 Ų1379.1 Ų79.17%0.06739%0.393CS..Hα-helixtrans-63.2-41.5173.2-70.6161000110.3E16 N17 I18 L23 S24 L44 D47 R49 L50E16-I20 WeakPolarHBondContact O-CD1 3.2Å; E16-I20 VanDerWaalsContact O-CG1 3.27Å; E16-I20 WeakPolarHBondContact O-CG1 3.48Å; E16-I20 PolarHBondContact O-N 2.83Å; N17-I20 PolarHBondContact O-N 2.81Å; I18-I20 VanDerWaalsContact C-N 3.34Å; I18-I20 PolarHBondContact O-N 3.09Å; I20-L23 PolarHBondContact O-N 3.41Å; I20-S24 PolarHBondContact O-N 2.95Å; I20-L44 HydrophobicContact CD1-CD2 4.27Å; I20-L44 HydrophobicContact CG1-CD2 4.15Å; I20-D47 HydrophobicContact CD1-CB 4Å; I20-D47 WeakPolarHBondContact CD1-OD2 3.3Å; I20-D47 HydrophobicContact CG1-CB 4.32Å; I20-R49 HydrophobicContact CG2-CB 4.36Å; I20-L50 HydrophobicContact CG2-CD2 3.95Å; I20-L50 HydrophobicContact CG2-CG 4.1Å; I20-L50 VanDerWaalsContact O-CD2 3.31Å; I20-L50 WeakPolarHBondContact O-CD2 3.26Å
21D90.9Very high87.3Confident80 Ų8075.7 Ų75.743%0.42837%0.374SS..Hα-helixtrans-63.9-42177.1-64.8-24.6000111.1N17 I18 L19 S24 Y25N17-D21 VanDerWaalsContact O-CG 3.23Å; N17-D21 PolarHBondContact O-N 3.14Å; I18-D21 PolarHBondContact O-N 3.41Å; L19-D21 VanDerWaalsContact C-N 3.32Å; D21-S24 WeakPolarHBondContact O-CB 3.46Å; D21-S24 PolarHBondContact O-N 2.83Å; D21-S24 PolarHBondContact O-OG 3.41Å; D21-Y25 VanDerWaalsContact O-CD2 3.28Å; D21-Y25 WeakPolarHBondContact O-CD2 3.27Å; D21-Y25 WeakPolarHBondContact O-CE2 3.45Å
22V91.5Very high88.5Confident85 Ų8572.3 Ų72.352%0.51536%0.357SS..Hα-helixtrans-61-45.9172.7172.20000111.3I18 L19 S24 Y25I18-V22 WeakPolarHBondContact O-CG2 3.34Å; I18-V22 PolarHBondContact O-N 2.71Å; L19-V22 PolarHBondContact O-N 3.35Å; V22-S24 PolarHBondContact O-N 3.34Å; V22-Y25 PolarHBondContact O-N 2.8Å
23L92Very high89.6Confident2 Ų273.9 Ų73.91%0.0136%0.356CS..Hα-helixtrans-64.3-25.3178.3-72.1172000112.3L19 I20 Y25 L26 L31 A34 W41 L44 V45 L50L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 2.97Å; I20-L23 PolarHBondContact O-N 3.41Å; L23-Y25 PolarHBondContact O-N 3.18Å; L23-L26 HydrophobicContact CD2-CD1 3.6Å; L23-L26 WeakPolarHBondContact O-CB 3.4Å; L23-L26 PolarHBondContact O-N 3.23Å; L23-L31 HydrophobicContact CB-CD2 3.96Å; L23-L31 HydrophobicContact CD2-CD2 4.4Å; L23-L31 WeakPolarHBondContact O-CD2 3.45Å; L23-A34 HydrophobicContact CD2-CB 4.03Å; L23-W41 HydrophobicContact CD2-CE3 3.99Å; L23-W41 HydrophobicContact CD2-CH2 4.19Å; L23-W41 HydrophobicContact CD2-CZ3 3.66Å; L23-L44 HydrophobicContact CD1-CB 3.92Å; L23-V45 HydrophobicContact CD1-CG2 4.09Å; L23-L50 HydrophobicContact CB-CD1 4.2Å; L23-L50 HydrophobicContact CB-CD2 3.83Å; L23-L50 HydrophobicContact CD1-CD1 4.29Å
24S91.8Very high90.4Very high69 Ų6964.7 Ų64.748%0.48332%0.321SS..THydrogen-bonded Turntrans-65.2-19.7-178.380.10000114.2I20 D21 V22 L26I20-S24 PolarHBondContact O-N 2.95Å; D21-S24 WeakPolarHBondContact O-CB 3.46Å; D21-S24 PolarHBondContact O-N 2.83Å; D21-S24 PolarHBondContact O-OG 3.41Å; V22-S24 PolarHBondContact O-N 3.34Å; S24-L26 VanDerWaalsContact C-N 3.31Å
25Y91.4Very high90.8Very high201 Ų20160.6 Ų60.679%0.78831%0.306SS*.THydrogen-bonded Turntrans-80.6-10.9174.8-67.1-82.3000113.6D21 V22 L23D21-Y25 VanDerWaalsContact O-CD2 3.28Å; D21-Y25 WeakPolarHBondContact O-CD2 3.27Å; D21-Y25 WeakPolarHBondContact O-CE2 3.45Å; V22-Y25 PolarHBondContact O-N 2.8Å; L23-Y25 PolarHBondContact O-N 3.18Å
26L91.3Very high91Very high62 Ų6267.1 Ų67.133%0.32532%0.321SS..SBendtrans-82.2146.2-178-61.2-177.7000111.8L23 S24 E30 L31 A34L23-L26 HydrophobicContact CD2-CD1 3.6Å; L23-L26 WeakPolarHBondContact O-CB 3.4Å; L23-L26 PolarHBondContact O-N 3.23Å; S24-L26 VanDerWaalsContact C-N 3.31Å; L26-E30 HydrophobicContact CB-CB 3.9Å; L26-E30 HydrophobicContact CD1-CB 4.42Å; L26-E30 HydrophobicContact CD2-CB 4.34Å; L26-E30 HydrophobicContact CG-CB 4.46Å; L26-L31 HydrophobicContact CB-CD2 4.14Å; L26-L31 HydrophobicContact CB-CG 3.98Å; L26-L31 HydrophobicContact CD1-CD2 4.39Å; L26-A34 HydrophobicContact CD1-CB 4.3Å
27S91.2Very high91.2Very high58 Ų5867.9 Ų67.941%0.40633%0.331SS..  trans-65.7161.5169.869.40000111.4R29 E30 L31S27-R29 PolarHBondContact O-N 3.11Å; S27-R29 VanDerWaalsContact O-N 3.14Å; S27-E30 VanDerWaalsContact CB-OE2 3.23Å; S27-E30 WeakPolarHBondContact CB-OE2 3.33Å; S27-E30 PolarHBondContact N-OE2 2.96Å; S27-E30 PolarHBondContact O-N 3.21Å; S27-E30 WeakPolarHBondContact OG-CG 3.21Å; S27-E30 PolarHBondContact OG-N 3.31Å; S27-E30 PolarHBondContact OG-OE2 3.1Å; S27-L31 PolarHBondContact O-N 3.12Å
28V91.3Very high91.2Very high13 Ų1366.5 Ų66.58%0.07933%0.328CS..Hα-helixtrans-54.2-38.2177.2177.70000112.1V32 W51 V54 L56 W59 L70V28-V32 WeakPolarHBondContact O-CG2 3.37Å; V28-V32 PolarHBondContact O-N 3.31Å; V28-V32 VanDerWaalsContact O-N 3.13Å; V28-W51 HydrophobicContact CG1-CH2 4.04Å; V28-W51 HydrophobicContact CG1-CZ3 3.61Å; V28-V54 HydrophobicContact CG1-CG1 4.48Å; V28-V54 HydrophobicContact CG2-CG1 3.82Å; V28-L56 HydrophobicContact CB-CD2 3.93Å; V28-L56 HydrophobicContact CG1-CD2 3.56Å; V28-L56 HydrophobicContact CG2-CD2 4.17Å; V28-W59 HydrophobicContact CG1-CE3 4.41Å; V28-W59 HydrophobicContact CG1-CZ3 4.15Å; V28-L70 HydrophobicContact CG1-CD1 4.43Å; V28-L70 HydrophobicContact CG1-CD2 4.35Å
29R90.8Very high91.2Very high118 Ų11872.4 Ų72.445%0.44535%0.351SS..Hα-helixtrans-67.5-40.5178.4-175.8179.1179.2-174.92.1111.8S27 R33 W59S27-R29 PolarHBondContact O-N 3.11Å; S27-R29 VanDerWaalsContact O-N 3.14Å; R29-R33 WeakPolarHBondContact O-CG 3.28Å; R29-R33 PolarHBondContact O-N 3.47Å; R29-W59 HydrophobicContact CB-CD2 4.07Å; R29-W59 HydrophobicContact CB-CE3 3.89Å; R29-W59 HydrophobicContact CB-CH2 4.18Å; R29-W59 HydrophobicContact CB-CZ2 4.35Å; R29-W59 HydrophobicContact CB-CZ3 3.95Å; R29-W59 HydrophobicContact CG-CD2 4.35Å; R29-W59 HydrophobicContact CG-CE3 4.5Å; R29-W59 HydrophobicContact CG-CH2 4.12Å; R29-W59 HydrophobicContact CG-CZ2 3.94Å; R29-W59 HydrophobicContact CG-CZ3 4.39Å
30E92.3Very high91.2Very high91 Ų9174.4 Ų74.443%0.42536%0.358SS..Hα-helixtrans-70.6-40.4178.2-72.6158.5154.400111.3L26 S27 V32 R33 A34L26-E30 HydrophobicContact CB-CB 3.9Å; L26-E30 HydrophobicContact CD1-CB 4.42Å; L26-E30 HydrophobicContact CD2-CB 4.34Å; L26-E30 HydrophobicContact CG-CB 4.46Å; S27-E30 VanDerWaalsContact CB-OE2 3.23Å; S27-E30 WeakPolarHBondContact CB-OE2 3.33Å; S27-E30 PolarHBondContact N-OE2 2.96Å; S27-E30 PolarHBondContact O-N 3.21Å; S27-E30 WeakPolarHBondContact OG-CG 3.21Å; S27-E30 PolarHBondContact OG-N 3.31Å; S27-E30 PolarHBondContact OG-OE2 3.1Å; E30-V32 PolarHBondContact O-N 3Å; E30-R33 CarbonylContact O-C 3.54Å; E30-R33 WeakPolarHBondContact O-CA 3.22Å; E30-R33 WeakPolarHBondContact O-CB 3.39Å; E30-R33 PolarHBondContact O-N 2.89Å; E30-R33 VanDerWaalsContact O-N 3.08Å; E30-A34 VanDerWaalsContact O-CB 3.32Å; E30-A34 WeakPolarHBondContact O-CB 3.25Å; E30-A34 PolarHBondContact O-N 2.76Å
31L92.8Very high91.2Very high6 Ų676 Ų763%0.03136%0.364CS..Hα-helixtrans-56.5-48.6172.7-77.4173.2000112L23 L26 S27 R33 A34 G35 V45 L50 W51L23-L31 HydrophobicContact CB-CD2 3.96Å; L23-L31 HydrophobicContact CD2-CD2 4.4Å; L23-L31 WeakPolarHBondContact O-CD2 3.45Å; L26-L31 HydrophobicContact CB-CD2 4.14Å; L26-L31 HydrophobicContact CB-CG 3.98Å; L26-L31 HydrophobicContact CD1-CD2 4.39Å; S27-L31 PolarHBondContact O-N 3.12Å; L31-R33 PolarHBondContact O-N 3.08Å; L31-A34 WeakPolarHBondContact O-CB 3.34Å; L31-A34 PolarHBondContact O-N 3.17Å; L31-G35 PolarHBondContact O-N 3.19Å; L31-G35 VanDerWaalsContact O-N 3.14Å; L31-V45 HydrophobicContact CB-CG1 4.32Å; L31-V45 WeakPolarHBondContact O-CG1 3.41Å; L31-L50 HydrophobicContact CD1-CB 4.42Å; L31-L50 HydrophobicContact CD2-CD1 4.21Å; L31-L50 HydrophobicContact CD2-CD2 4.45Å; L31-W51 HydrophobicContact CB-CH2 4.3Å; L31-W51 HydrophobicContact CB-CZ2 4.18Å; L31-W51 HydrophobicContact CD1-CZ2 4.45Å
32V91.6Very high91.2Very high15 Ų1578.3 Ų78.39%0.09137%0.37CS..Hα-helixtrans-61.3-33.4177.4174.50000111.8V28 E30 W51 F69 L70 Y74V28-V32 WeakPolarHBondContact O-CG2 3.37Å; V28-V32 PolarHBondContact O-N 3.31Å; V28-V32 VanDerWaalsContact O-N 3.13Å; E30-V32 PolarHBondContact O-N 3Å; V32-W51 HydrophobicContact CG2-CH2 3.98Å; V32-F69 HydrophobicContact CG1-CE1 4.29Å; V32-L70 HydrophobicContact CG2-CD2 3.84Å; V32-Y74 HydrophobicContact CG2-CD2 4.36Å; V32-Y74 HydrophobicContact CG2-CE2 3.78Å
33R92.3Very high91.2Very high132 Ų13281.4 Ų81.450%0.49837%0.372SS..Hα-helixtrans-74.5-39.9175.5-73.7170.7166.4-179.4-10.7112.1R29 E30 L31 G35 R36R29-R33 WeakPolarHBondContact O-CG 3.28Å; R29-R33 PolarHBondContact O-N 3.47Å; E30-R33 CarbonylContact O-C 3.54Å; E30-R33 WeakPolarHBondContact O-CA 3.22Å; E30-R33 WeakPolarHBondContact O-CB 3.39Å; E30-R33 PolarHBondContact O-N 2.89Å; E30-R33 VanDerWaalsContact O-N 3.08Å; L31-R33 PolarHBondContact O-N 3.08Å; R33-G35 PolarHBondContact O-N 3.09Å; R33-R36 VanDerWaalsContact O-CB 3.29Å; R33-R36 WeakPolarHBondContact O-CB 3.43Å; R33-R36 PolarHBondContact O-N 2.83Å
34A91.9Very high91.2Very high7 Ų781.5 Ų81.56%0.05837%0.373CS..Hα-helixtrans-56.3-36.4176.400000111.1L23 L26 E30 L31 R36 V37 W41 V45L23-A34 HydrophobicContact CD2-CB 4.03Å; L26-A34 HydrophobicContact CD1-CB 4.3Å; E30-A34 VanDerWaalsContact O-CB 3.32Å; E30-A34 WeakPolarHBondContact O-CB 3.25Å; E30-A34 PolarHBondContact O-N 2.76Å; L31-A34 WeakPolarHBondContact O-CB 3.34Å; L31-A34 PolarHBondContact O-N 3.17Å; A34-R36 PolarHBondContact O-N 2.7Å; A34-V37 WeakPolarHBondContact O-CB 3.39Å; A34-V37 WeakPolarHBondContact O-CG2 3.35Å; A34-V37 PolarHBondContact O-N 2.97Å; A34-V37 VanDerWaalsContact O-N 3.08Å; A34-W41 HydrophobicContact CB-CE3 3.7Å; A34-W41 HydrophobicContact CB-CZ3 3.87Å; A34-W41 WeakPolarHBondContact O-CB 3.49Å; A34-V45 HydrophobicContact CB-CG2 4.03Å
35G89.4Confident91.3Very high11 Ų1178.3 Ų78.311%0.11335%0.35CS..THydrogen-bonded Turntrans-63.3-8.7173.600000115.4L31 R33 K42L31-G35 PolarHBondContact O-N 3.19Å; L31-G35 VanDerWaalsContact O-N 3.14Å; R33-G35 PolarHBondContact O-N 3.09Å; G35-K42 VanDerWaalsContact O-CB 3.3Å; G35-K42 WeakPolarHBondContact O-CB 3.44Å
36R91.4Very high91.3Very high209 Ų20973.2 Ų73.279%0.78933%0.332SS*.THydrogen-bonded Turntrans-96.5-9.1176-56.2-177.8-179.8-170.1-3.7113.6R33 A34R33-R36 VanDerWaalsContact O-CB 3.29Å; R33-R36 WeakPolarHBondContact O-CB 3.43Å; R33-R36 PolarHBondContact O-N 2.83Å; A34-R36 PolarHBondContact O-N 2.7Å
37V90.8Very high91.3Very high100 Ų10072.7 Ų72.761%0.60633%0.33SS*.THydrogen-bonded Turntrans-66.9-54.6-176175.60000111A34 W41A34-V37 WeakPolarHBondContact O-CB 3.39Å; A34-V37 WeakPolarHBondContact O-CG2 3.35Å; A34-V37 PolarHBondContact O-N 2.97Å; A34-V37 VanDerWaalsContact O-N 3.08Å; V37-W41 HydrophobicContact CB-CB 4.47Å; V37-W41 HydrophobicContact CB-CD2 4.38Å; V37-W41 HydrophobicContact CB-CE3 4.28Å; V37-W41 HydrophobicContact CB-CG 4.45Å; V37-W41 HydrophobicContact CG2-CE3 4.17Å
38C89.1Confident91.3Very high53 Ų5372.9 Ų72.936%0.35832%0.324SS..  trans-154.9170.4177.273.90000111.7R40 W41 K42C38-R40 PolarHBondContact O-N 2.83Å; C38-W41 PolarHBondContact O-N 3.41Å; C38-W41 PolarHBondContact SG-N 2.93Å; C38-W41 VanDerWaalsContact SG-N 3.44Å; C38-K42 WeakPolarHBondContact O-CB 3.44Å; C38-K42 PolarHBondContact O-N 2.89Å
39K89.9Confident91.2Very high190 Ų19079.5 Ų79.583%0.82635%0.347SS*.Hα-helixtrans-58.2-35.6179.3-68.1-178.6-178.1174.90112.6R43K39-R43 PolarHBondContact O-N 3.18Å
40R90.4Very high91.3Very high47 Ų4774.6 Ų74.618%0.17733%0.33CS..Hα-helixtrans-66.6-51178.5-174.8-179.4176.9-170.30111L11 D12 F14 L19 C38 K42 R43 L44L11-R40 PolarHBondContact O-NH1 3.16Å; D12-R40 VanDerWaalsContact CA-NH1 3.25Å; D12-R40 PolarHBondContact O-NH1 2.92Å; D12-R40 IonicContact OD1-NH1 2.75Å; F14-R40 PolarHBondContact O-NH2 3.01Å; L19-R40 VanDerWaalsContact CD1-CZ 3.49Å; L19-R40 VanDerWaalsContact CD1-NH2 3.32Å; C38-R40 PolarHBondContact O-N 2.83Å; R40-K42 VanDerWaalsContact C-N 3.27Å; R40-K42 PolarHBondContact O-N 3.49Å; R40-R43 WeakPolarHBondContact O-CA 3.37Å; R40-R43 WeakPolarHBondContact O-CB 3.32Å; R40-R43 PolarHBondContact O-N 2.83Å; R40-L44 HydrophobicContact CG-CD1 4.18Å; R40-L44 HydrophobicContact CG-CG 4.49Å; R40-L44 WeakPolarHBondContact O-CG 3.27Å; R40-L44 PolarHBondContact O-N 3Å
41W90.9Very high91.3Very high48 Ų4870.3 Ų70.318%0.18231%0.31CS..Hα-helixtrans-62-36177.3-77.547.3000112.2L11 L23 A34 V37 C38 R43 L44 V45L11-W41 HydrophobicContact CD1-CZ2 4.13Å; L23-W41 HydrophobicContact CD2-CE3 3.99Å; L23-W41 HydrophobicContact CD2-CH2 4.19Å; L23-W41 HydrophobicContact CD2-CZ3 3.66Å; A34-W41 HydrophobicContact CB-CE3 3.7Å; A34-W41 HydrophobicContact CB-CZ3 3.87Å; A34-W41 WeakPolarHBondContact O-CB 3.49Å; V37-W41 HydrophobicContact CB-CB 4.47Å; V37-W41 HydrophobicContact CB-CD2 4.38Å; V37-W41 HydrophobicContact CB-CE3 4.28Å; V37-W41 HydrophobicContact CB-CG 4.45Å; V37-W41 HydrophobicContact CG2-CE3 4.17Å; C38-W41 PolarHBondContact O-N 3.41Å; C38-W41 PolarHBondContact SG-N 2.93Å; C38-W41 VanDerWaalsContact SG-N 3.44Å; W41-R43 PolarHBondContact O-N 2.81Å; W41-L44 PolarHBondContact O-N 3.49Å; W41-V45 WeakPolarHBondContact O-CB 3.48Å; W41-V45 VanDerWaalsContact O-CG2 3.32Å; W41-V45 WeakPolarHBondContact O-CG2 3.34Å; W41-V45 PolarHBondContact O-N 2.88Å
42K91Very high91.3Very high128 Ų12875.8 Ų75.856%0.55733%0.33SS*.Hα-helixtrans-58.9-32.4171.7-167.9175.7179.4179.10113.3G35 C38 R40G35-K42 VanDerWaalsContact O-CB 3.3Å; G35-K42 WeakPolarHBondContact O-CB 3.44Å; C38-K42 WeakPolarHBondContact O-CB 3.44Å; C38-K42 PolarHBondContact O-N 2.89Å; R40-K42 VanDerWaalsContact C-N 3.27Å; R40-K42 PolarHBondContact O-N 3.49Å
43R91.6Very high91.4Very high150 Ų15079.5 Ų79.557%0.56635%0.353SS*.Hα-helixtrans-75.8-49.4171.8-75-168.1-70.2113-2.5111.2E16 K39 R40 W41 V45 K46E16-R43 IonicContact OE1-CZ 2.89Å; E16-R43 IonicContact OE1-NH1 2.68Å; E16-R43 PolarHBondContact OE1-NH1 2.86Å; E16-R43 IonicContact OE1-NH2 3.18Å; K39-R43 PolarHBondContact O-N 3.18Å; R40-R43 WeakPolarHBondContact O-CA 3.37Å; R40-R43 WeakPolarHBondContact O-CB 3.32Å; R40-R43 PolarHBondContact O-N 2.83Å; W41-R43 PolarHBondContact O-N 2.81Å; R43-V45 PolarHBondContact O-N 3.48Å; R43-K46 WeakPolarHBondContact O-CB 3.24Å; R43-K46 PolarHBondContact O-N 3.31Å
44L91.9Very high91.4Very high4 Ų473.2 Ų73.22%0.02133%0.329CS..Hα-helixtrans-59.2-43.7-176.5-65.9173.3000112.6E16 L19 I20 L23 R40 W41 K46 D47 L50E16-L44 HydrophobicContact CB-CD2 3.67Å; E16-L44 HydrophobicContact CG-CD2 3.8Å; L19-L44 HydrophobicContact CB-CD1 3.82Å; L19-L44 HydrophobicContact CD1-CD1 3.71Å; L19-L44 HydrophobicContact CG-CD1 4.44Å; I20-L44 HydrophobicContact CD1-CD2 4.27Å; I20-L44 HydrophobicContact CG1-CD2 4.15Å; L23-L44 HydrophobicContact CD1-CB 3.92Å; R40-L44 HydrophobicContact CG-CD1 4.18Å; R40-L44 HydrophobicContact CG-CG 4.49Å; R40-L44 WeakPolarHBondContact O-CG 3.27Å; R40-L44 PolarHBondContact O-N 3Å; W41-L44 PolarHBondContact O-N 3.49Å; L44-K46 PolarHBondContact O-N 3.1Å; L44-K46 VanDerWaalsContact O-N 3.08Å; L44-D47 VanDerWaalsContact O-CB 3.23Å; L44-D47 WeakPolarHBondContact O-CB 3.35Å; L44-D47 PolarHBondContact O-N 3.35Å; L44-L50 WeakPolarHBondContact O-CD1 3.42Å
45V93.6Very high91.4Very high1 Ų175.6 Ų75.61%0.00634%0.341CS..THydrogen-bonded Turntrans-62.1-19.4179.1171.20000112.3L23 L31 A34 W41 R43 D47 W51 Y74L23-V45 HydrophobicContact CD1-CG2 4.09Å; L31-V45 HydrophobicContact CB-CG1 4.32Å; L31-V45 WeakPolarHBondContact O-CG1 3.41Å; A34-V45 HydrophobicContact CB-CG2 4.03Å; W41-V45 WeakPolarHBondContact O-CB 3.48Å; W41-V45 VanDerWaalsContact O-CG2 3.32Å; W41-V45 WeakPolarHBondContact O-CG2 3.34Å; W41-V45 PolarHBondContact O-N 2.88Å; R43-V45 PolarHBondContact O-N 3.48Å; V45-D47 VanDerWaalsContact C-N 3.28Å; V45-D47 PolarHBondContact O-N 2.91Å; V45-W51 HydrophobicContact CG1-CZ2 3.98Å; V45-W51 PolarHBondContact O-NE1 2.66Å; V45-Y74 HydrophobicContact CG1-CD1 4.38Å; V45-Y74 HydrophobicContact CG1-CE1 3.99Å
46K90.9Very high91.5Very high94 Ų9475.2 Ų75.241%0.40934%0.337SS..THydrogen-bonded Turntrans-81.3-6.8175.9-67.4-177.5173.4-165.90113.6R43 L44 Q48 Y74R43-K46 WeakPolarHBondContact O-CB 3.24Å; R43-K46 PolarHBondContact O-N 3.31Å; L44-K46 PolarHBondContact O-N 3.1Å; L44-K46 VanDerWaalsContact O-N 3.08Å; K46-Q48 PolarHBondContact O-N 3.34Å; K46-Q48 PolarHBondContact O-NE2 2.81Å; K46-Y74 HydrophobicContact CG-CD1 4.5Å
47D92.2Very high91.3Very high52 Ų5266.6 Ų66.628%0.27831%0.307SS..  trans-59.6128.5178-168.1-64000110.7I20 L44 V45 R49 L50 W51I20-D47 HydrophobicContact CD1-CB 4Å; I20-D47 WeakPolarHBondContact CD1-OD2 3.3Å; I20-D47 HydrophobicContact CG1-CB 4.32Å; L44-D47 VanDerWaalsContact O-CB 3.23Å; L44-D47 WeakPolarHBondContact O-CB 3.35Å; L44-D47 PolarHBondContact O-N 3.35Å; V45-D47 VanDerWaalsContact C-N 3.28Å; V45-D47 PolarHBondContact O-N 2.91Å; D47-R49 PolarHBondContact O-N 2.87Å; D47-R49 VanDerWaalsContact O-N 3.16Å; D47-R49 WeakPolarHBondContact OD1-CB 3.32Å; D47-R49 WeakPolarHBondContact OD1-CG 3.37Å; D47-R49 PolarHBondContact OD1-N 2.93Å; D47-L50 HydrophobicContact CB-CD1 4.48Å; D47-L50 PolarHBondContact O-N 3.02Å; D47-L50 VanDerWaalsContact O-N 3.17Å; D47-W51 VanDerWaalsContact O-CD1 3.28Å
48Q90.8Very high91Very high61 Ų6166.1 Ų66.129%0.28531%0.313SS..THydrogen-bonded Turntrans-67.1-14.9-175.2-67.3-61.4-69.800113.6K46 L50 W51 Y74K46-Q48 PolarHBondContact O-N 3.34Å; K46-Q48 PolarHBondContact O-NE2 2.81Å; Q48-L50 VanDerWaalsContact C-N 3.32Å; Q48-W51 PolarHBondContact O-N 3.05Å; Q48-Y74 PolarHBondContact NE2-O 2.85Å
49R90.4Very high90.8Very high152 Ų15266.3 Ų66.357%0.57431%0.307SS*.THydrogen-bonded Turntrans-64.4-37.2173.1-64.9174.5-177.8-150.72111.7I20 D47 W51 R52I20-R49 HydrophobicContact CG2-CB 4.36Å; D47-R49 PolarHBondContact O-N 2.87Å; D47-R49 VanDerWaalsContact O-N 3.16Å; D47-R49 WeakPolarHBondContact OD1-CB 3.32Å; D47-R49 WeakPolarHBondContact OD1-CG 3.37Å; D47-R49 PolarHBondContact OD1-N 2.93Å; R49-W51 VanDerWaalsContact C-N 3.27Å; R49-W51 PolarHBondContact O-N 2.99Å; R49-R52 WeakPolarHBondContact O-CG 3.44Å
50L91.7Very high90.2Very high15 Ų1566.6 Ų66.68%0.07931%0.308CS..THydrogen-bonded Turntrans-69.5-26.1179.7-62.6172.6000112.6I20 L23 L31 L44 D47 Q48I20-L50 HydrophobicContact CG2-CD2 3.95Å; I20-L50 HydrophobicContact CG2-CG 4.1Å; I20-L50 VanDerWaalsContact O-CD2 3.31Å; I20-L50 WeakPolarHBondContact O-CD2 3.26Å; L23-L50 HydrophobicContact CB-CD1 4.2Å; L23-L50 HydrophobicContact CB-CD2 3.83Å; L23-L50 HydrophobicContact CD1-CD1 4.29Å; L31-L50 HydrophobicContact CD1-CB 4.42Å; L31-L50 HydrophobicContact CD2-CD1 4.21Å; L31-L50 HydrophobicContact CD2-CD2 4.45Å; L44-L50 WeakPolarHBondContact O-CD1 3.42Å; D47-L50 HydrophobicContact CB-CD1 4.48Å; D47-L50 PolarHBondContact O-N 3.02Å; D47-L50 VanDerWaalsContact O-N 3.17Å; Q48-L50 VanDerWaalsContact C-N 3.32Å
51W93.5Very high89.5Confident1 Ų166.3 Ų66.30%0.00432%0.319CS..THydrogen-bonded Turntrans-10618.6-174.4-56.394.1000113.4V28 L31 V32 V45 D47 Q48 R49 T53 V54 L70 Y74 L75 L79V28-W51 HydrophobicContact CG1-CH2 4.04Å; V28-W51 HydrophobicContact CG1-CZ3 3.61Å; L31-W51 HydrophobicContact CB-CH2 4.3Å; L31-W51 HydrophobicContact CB-CZ2 4.18Å; L31-W51 HydrophobicContact CD1-CZ2 4.45Å; V32-W51 HydrophobicContact CG2-CH2 3.98Å; V45-W51 HydrophobicContact CG1-CZ2 3.98Å; V45-W51 PolarHBondContact O-NE1 2.66Å; D47-W51 VanDerWaalsContact O-CD1 3.28Å; Q48-W51 PolarHBondContact O-N 3.05Å; R49-W51 VanDerWaalsContact C-N 3.27Å; R49-W51 PolarHBondContact O-N 2.99Å; W51-T53 VanDerWaalsContact C-N 3.32Å; W51-V54 HydrophobicContact CB-CG2 4.29Å; W51-V54 HydrophobicContact CE3-CG2 3.8Å; W51-L70 HydrophobicContact CH2-CD2 4.39Å; W51-L70 HydrophobicContact CZ3-CD2 4.3Å; W51-Y74 HydrophobicContact CD2-CG 4.4Å; W51-Y74 VanDerWaalsContact CE2-CB 3.48Å; W51-Y74 AromaticContact CE2-CD1 3.86Å; W51-Y74 AromaticContact CE2-CG 3.79Å; W51-Y74 HydrophobicContact CH2-CD1 4.22Å; W51-Y74 AromaticContact CH2-CD2 3.89Å; W51-Y74 HydrophobicContact CH2-CD2 3.89Å; W51-Y74 AromaticContact CH2-CG 3.74Å; W51-Y74 HydrophobicContact CH2-CG 3.74Å; W51-Y74 AromaticContact CZ2-CD1 3.51Å; W51-Y74 HydrophobicContact CZ2-CD1 3.51Å; W51-Y74 HydrophobicContact CZ2-CD2 4.04Å; W51-Y74 HydrophobicContact CZ2-CE1 4.17Å; W51-Y74 AromaticContact CZ2-CG 3.45Å; W51-Y74 HydrophobicContact CZ2-CG 3.45Å; W51-Y74 VanDerWaalsContact CZ2-CG 3.45Å; W51-Y74 HydrophobicContact CZ3-CD2 4.47Å; W51-Y74 HydrophobicContact CZ3-CG 4.31Å; W51-L75 HydrophobicContact CE3-CD2 4.08Å; W51-L79 WeakPolarHBondContact O-CA 3.13Å; W51-L79 WeakPolarHBondContact O-CD1 3.48Å
52R92.4Very high89.2Confident122 Ų12264.3 Ų64.346%0.4631%0.313SS..SBendtrans-64-40.1176-72176.4177.6179.60.9112R49 G78 R80 C81R49-R52 WeakPolarHBondContact O-CG 3.44Å; R52-G78 WeakPolarHBondContact CA-O 3.36Å; R52-R80 PolarHBondContact O-N 2.8Å; R52-C81 PolarHBondContact O-N 3.33Å
53T92.5Very high88.8Confident93 Ų9360.8 Ų60.857%0.57130%0.302SS*.EExtended strand (participates in β ladder)trans-127.6115.9179.4-590000108.2W51 C81W51-T53 VanDerWaalsContact C-N 3.32Å; T53-C81 WeakPolarHBondContact CA-O 3.27Å; T53-C81 HydrophobicContact CG2-CB 4.07Å
54V93.2Very high88.5Confident0 Ų056.4 Ų56.40%029%0.294CS..EExtended strand (participates in β ladder)trans-118.7112.6-176.3178.50000108.6V28 W51 L56 L75 L79 C81 L82 R83V28-V54 HydrophobicContact CG1-CG1 4.48Å; V28-V54 HydrophobicContact CG2-CG1 3.82Å; W51-V54 HydrophobicContact CB-CG2 4.29Å; W51-V54 HydrophobicContact CE3-CG2 3.8Å; V54-L56 HydrophobicContact CG1-CD2 4.18Å; V54-L56 HydrophobicContact CG1-CG 4.07Å; V54-L75 HydrophobicContact CB-CD2 4.4Å; V54-L75 HydrophobicContact CG1-CD2 4.32Å; V54-L75 HydrophobicContact CG2-CD2 3.72Å; V54-L79 HydrophobicContact CB-CD1 3.97Å; V54-L79 HydrophobicContact CG2-CD1 3.56Å; V54-C81 PolarHBondContact N-O 2.89Å; V54-L82 HydrophobicContact CB-CD1 3.84Å; V54-L82 HydrophobicContact CG1-CD1 3.87Å; V54-L82 WeakPolarHBondContact O-CA 3.45Å; V54-R83 PolarHBondContact O-N 3.03Å
55D92Very high88.3Confident56 Ų5666.4 Ų66.430%0.29933%0.332SS..EExtended strand (participates in β ladder)trans-108.6111.1175.1-163.9-20.6000110.5T57 R83D55-T57 WeakPolarHBondContact OD1-CB 3.36Å; D55-T57 VanDerWaalsContact OD1-CG2 3.26Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.45Å; D55-T57 PolarHBondContact OD1-N 3.06Å; D55-T57 PolarHBondContact OD1-OG1 3.13Å; D55-T57 PolarHBondContact OD2-OG1 2.99Å; D55-R83 HydrophobicContact CB-CB 4.42Å; D55-R83 WeakPolarHBondContact OD2-CD 3.5Å; D55-R83 IonicContact OD2-CZ 3.84Å; D55-R83 IonicContact OD2-NE 3.8Å; D55-R83 IonicContact OD2-NH1 3.32Å; D55-R83 PolarHBondContact OD2-NH1 2.98Å
56L90.7Very high88Confident4 Ų468.6 Ų68.62%0.02134%0.342CS..  trans-101.62.7175.5-61-176.9000112.3V28 V54 A58 W59 V62 L67 L70 R83 L84V28-L56 HydrophobicContact CB-CD2 3.93Å; V28-L56 HydrophobicContact CG1-CD2 3.56Å; V28-L56 HydrophobicContact CG2-CD2 4.17Å; V54-L56 HydrophobicContact CG1-CD2 4.18Å; V54-L56 HydrophobicContact CG1-CG 4.07Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.21Å; L56-W59 HydrophobicContact CD2-CE3 4Å; L56-W59 PolarHBondContact O-N 3.25Å; L56-W59 VanDerWaalsContact O-N 3.13Å; L56-V62 HydrophobicContact CB-CG2 4.48Å; L56-V62 HydrophobicContact CD1-CG1 4.42Å; L56-L67 HydrophobicContact CD1-CD2 3.56Å; L56-L70 HydrophobicContact CD1-CD1 3.66Å; L56-L70 HydrophobicContact CD2-CD1 3.84Å; L56-L70 HydrophobicContact CG-CD1 4.43Å; L56-R83 PolarHBondContact N-O 3.47Å; L56-L84 HydrophobicContact CB-CD2 4.15Å; L56-L84 HydrophobicContact CD1-CD2 3.66Å; L56-L84 HydrophobicContact CG-CD2 4.21Å
57T87.1Confident87.9Confident28 Ų2864.3 Ų64.317%0.17232%0.324CS..THydrogen-bonded Turntrans-68.2-33.2-172.863.80000113D55 W59 R83 R85 L118D55-T57 WeakPolarHBondContact OD1-CB 3.36Å; D55-T57 VanDerWaalsContact OD1-CG2 3.26Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.45Å; D55-T57 PolarHBondContact OD1-N 3.06Å; D55-T57 PolarHBondContact OD1-OG1 3.13Å; D55-T57 PolarHBondContact OD2-OG1 2.99Å; T57-W59 VanDerWaalsContact C-N 3.32Å; T57-R83 HydrophobicContact CG2-CB 3.87Å; T57-R85 HydrophobicContact CG2-CB 4.26Å; T57-R85 WeakPolarHBondContact O-CD 3.44Å; T57-L118 HydrophobicContact CG2-CD1 3.77Å; T57-L118 HydrophobicContact CG2-CD2 4.17Å; T57-L118 HydrophobicContact CG2-CG 4.47Å
58A84.8Confident87.9Confident89 Ų8965 Ų6574%0.73632%0.323SS*.THydrogen-bonded Turntrans-76.5-18.7175.100000113L56 K60L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.21Å; A58-K60 PolarHBondContact O-N 2.94Å; A58-K60 VanDerWaalsContact O-N 3.16Å
59W84.4Confident87.9Confident57 Ų5766.5 Ų66.522%0.21633%0.329CS..SBendtrans-80.9101.6-179-165.5-17.8000110.1V28 R29 L56 T57 G61 V62 I66V28-W59 HydrophobicContact CG1-CE3 4.41Å; V28-W59 HydrophobicContact CG1-CZ3 4.15Å; R29-W59 HydrophobicContact CB-CD2 4.07Å; R29-W59 HydrophobicContact CB-CE3 3.89Å; R29-W59 HydrophobicContact CB-CH2 4.18Å; R29-W59 HydrophobicContact CB-CZ2 4.35Å; R29-W59 HydrophobicContact CB-CZ3 3.95Å; R29-W59 HydrophobicContact CG-CD2 4.35Å; R29-W59 HydrophobicContact CG-CE3 4.5Å; R29-W59 HydrophobicContact CG-CH2 4.12Å; R29-W59 HydrophobicContact CG-CZ2 3.94Å; R29-W59 HydrophobicContact CG-CZ3 4.39Å; L56-W59 HydrophobicContact CD2-CE3 4Å; L56-W59 PolarHBondContact O-N 3.25Å; L56-W59 VanDerWaalsContact O-N 3.13Å; T57-W59 VanDerWaalsContact C-N 3.32Å; W59-G61 PolarHBondContact O-N 3.38Å; W59-V62 HydrophobicContact CB-CG2 3.64Å; W59-V62 HydrophobicContact CD2-CG2 3.97Å; W59-V62 HydrophobicContact CE3-CG2 4.46Å; W59-V62 HydrophobicContact CG-CG2 3.59Å; W59-V62 WeakPolarHBondContact O-CG2 3.46Å; W59-I66 HydrophobicContact CH2-CG2 4.38Å
60K79.3Confident88Confident197 Ų19759.4 Ų59.486%0.85730%0.302SS*.THydrogen-bonded Turntrans-65.6131.7174.5-63.8-176.4-179.6179.60111.3A58A58-K60 PolarHBondContact O-N 2.94Å; A58-K60 VanDerWaalsContact O-N 3.16Å
61G75.7Confident87.9Confident40 Ų4058.7 Ų58.741%0.41230%0.298SS..THydrogen-bonded Turntrans79.725.2172.800000115.3W59 T63W59-G61 PolarHBondContact O-N 3.38Å; G61-T63 PolarHBondContact O-N 3.47Å
62V82.7Confident87.8Confident7 Ų766.5 Ų66.54%0.04233%0.328CS..  trans-60.5124.2168.8-178.20000108.5L56 W59 I66 L67 F96L56-V62 HydrophobicContact CB-CG2 4.48Å; L56-V62 HydrophobicContact CD1-CG1 4.42Å; W59-V62 HydrophobicContact CB-CG2 3.64Å; W59-V62 HydrophobicContact CD2-CG2 3.97Å; W59-V62 HydrophobicContact CE3-CG2 4.46Å; W59-V62 HydrophobicContact CG-CG2 3.59Å; W59-V62 WeakPolarHBondContact O-CG2 3.46Å; V62-I66 HydrophobicContact CG1-CB 4.21Å; V62-I66 HydrophobicContact CG1-CG2 4.16Å; V62-L67 HydrophobicContact CG1-CD2 4.03Å; V62-L67 HydrophobicContact CG1-CG 4.04Å; V62-F96 HydrophobicContact CB-CE2 4.11Å; V62-F96 HydrophobicContact CB-CZ 4.31Å; V62-F96 HydrophobicContact CG1-CE2 3.79Å; V62-F96 HydrophobicContact CG1-CZ 3.87Å; V62-F96 VanDerWaalsContact O-CE2 3.24Å; V62-F96 WeakPolarHBondContact O-CE2 3.35Å
63T84.3Confident87.7Confident53 Ų5364.9 Ų64.933%0.32533%0.325SS..  trans-102.3163.3176590000110.2G61 R65 I66 L67G61-T63 PolarHBondContact O-N 3.47Å; T63-R65 PolarHBondContact O-N 3.37Å; T63-I66 PolarHBondContact O-N 2.69Å; T63-L67 PolarHBondContact O-N 3.43Å
64S85.1Confident87.6Confident58 Ų5861.7 Ų61.741%0.40630%0.303SS..Hα-helixtrans-53.8-34172.3570000112.5L67 W68S64-L67 WeakPolarHBondContact O-CB 3.49Å; S64-L67 PolarHBondContact O-N 2.93Å; S64-W68 VanDerWaalsContact O-CD1 3.23Å; S64-W68 PolarHBondContact O-N 3.17Å
65R86.9Confident87.4Confident215 Ų21562.3 Ų62.381%0.81131%0.306SS*.Hα-helixtrans-62.9-43.2175-64.1-177.4-176.5170.51.3112.4T63 W68 F69T63-R65 PolarHBondContact O-N 3.37Å; R65-W68 PolarHBondContact O-N 2.84Å; R65-F69 WeakPolarHBondContact O-CB 3.41Å; R65-F69 PolarHBondContact O-N 3.46Å
66I88.1Confident87.3Confident46 Ų4660.2 Ų60.224%0.23630%0.298CS..Hα-helixtrans-66.6-42.7177.2-64.3170.3000109.8W59 V62 T63 W68 F69 L70W59-I66 HydrophobicContact CH2-CG2 4.38Å; V62-I66 HydrophobicContact CG1-CB 4.21Å; V62-I66 HydrophobicContact CG1-CG2 4.16Å; T63-I66 PolarHBondContact O-N 2.69Å; I66-W68 VanDerWaalsContact C-N 3.34Å; I66-W68 PolarHBondContact O-N 2.93Å; I66-F69 WeakPolarHBondContact O-CB 3.28Å; I66-F69 PolarHBondContact O-N 2.93Å; I66-L70 HydrophobicContact CG2-CD1 4.06Å; I66-L70 HydrophobicContact CG2-CG 4.24Å; I66-L70 WeakPolarHBondContact O-CG 3.29Å; I66-L70 PolarHBondContact O-N 3.28Å
67L89.1Confident87.1Confident4 Ų463.3 Ų63.32%0.02132%0.319CS..Hα-helixtrans-57.7-45.4174.8-77.6-173.2000112.6L56 V62 T63 S64 L70 L71 L84 F96 L97 W101L56-L67 HydrophobicContact CD1-CD2 3.56Å; V62-L67 HydrophobicContact CG1-CD2 4.03Å; V62-L67 HydrophobicContact CG1-CG 4.04Å; T63-L67 PolarHBondContact O-N 3.43Å; S64-L67 WeakPolarHBondContact O-CB 3.49Å; S64-L67 PolarHBondContact O-N 2.93Å; L67-L70 PolarHBondContact O-N 3.39Å; L67-L71 VanDerWaalsContact O-CB 3.27Å; L67-L71 WeakPolarHBondContact O-CB 3.4Å; L67-L71 PolarHBondContact O-N 3.44Å; L67-L84 HydrophobicContact CD2-CD2 3.9Å; L67-F96 HydrophobicContact CD1-CD1 4.26Å; L67-F96 HydrophobicContact CD1-CD2 4.25Å; L67-F96 HydrophobicContact CD1-CE1 3.57Å; L67-F96 HydrophobicContact CD1-CE2 3.57Å; L67-F96 HydrophobicContact CD1-CZ 3.21Å; L67-F96 HydrophobicContact CD2-CZ 3.83Å; L67-F96 HydrophobicContact CG-CE1 4.36Å; L67-F96 HydrophobicContact CG-CE2 3.86Å; L67-F96 HydrophobicContact CG-CZ 3.56Å; L67-L97 HydrophobicContact CD1-CD2 4.02Å; L67-W101 HydrophobicContact CB-CZ2 4.35Å; L67-W101 HydrophobicContact CD1-CD2 4.41Å; L67-W101 HydrophobicContact CD1-CZ2 4.29Å; L67-W101 HydrophobicContact CD2-CZ2 4.14Å; L67-W101 PolarHBondContact O-NE1 2.91Å
68W91.3Very high87.1Confident67 Ų6762.6 Ų62.625%0.25432%0.317SS..Hα-helixtrans-64-41175.6-87110.4000112.4S64 R65 I66 L71 R72 W101 A104S64-W68 VanDerWaalsContact O-CD1 3.23Å; S64-W68 PolarHBondContact O-N 3.17Å; R65-W68 PolarHBondContact O-N 2.84Å; I66-W68 VanDerWaalsContact C-N 3.34Å; I66-W68 PolarHBondContact O-N 2.93Å; W68-L71 HydrophobicContact CE3-CD2 4.17Å; W68-L71 HydrophobicContact CZ3-CD2 4.07Å; W68-L71 PolarHBondContact O-N 3.41Å; W68-R72 WeakPolarHBondContact O-CB 3.27Å; W68-R72 VanDerWaalsContact O-CG 3.25Å; W68-R72 WeakPolarHBondContact O-CG 3.5Å; W68-R72 PolarHBondContact O-N 2.89Å; W68-W101 AromaticContact CD2-CD1 3.77Å; W68-W101 AromaticContact CE2-CD1 3.78Å; W68-W101 AromaticContact CG-CD1 3.98Å; W68-W101 HydrophobicContact CZ2-CB 3.86Å; W68-W101 HydrophobicContact CZ2-CG 4.49Å; W68-W101 AromaticContact NE1-CD1 3.92Å; W68-A104 HydrophobicContact CH2-CB 3.53Å; W68-A104 HydrophobicContact CZ3-CB 3.63Å
69F91.3Very high87.5Confident93 Ų9358.3 Ų58.341%0.40828%0.282SS..Hα-helixtrans-60.4-48175.1175.3-101.8000111.4V32 R65 I66 L71 R72 Q73 Y74V32-F69 HydrophobicContact CG1-CE1 4.29Å; R65-F69 WeakPolarHBondContact O-CB 3.41Å; R65-F69 PolarHBondContact O-N 3.46Å; I66-F69 WeakPolarHBondContact O-CB 3.28Å; I66-F69 PolarHBondContact O-N 2.93Å; F69-L71 PolarHBondContact O-N 2.92Å; F69-R72 PolarHBondContact O-N 3.36Å; F69-Q73 HydrophobicContact CD2-CG 3.83Å; F69-Q73 HydrophobicContact CE2-CG 3.56Å; F69-Q73 HydrophobicContact CG-CG 4.43Å; F69-Q73 HydrophobicContact CZ-CG 3.93Å; F69-Q73 WeakPolarHBondContact O-CB 3.34Å; F69-Q73 WeakPolarHBondContact O-CG 3.12Å; F69-Q73 PolarHBondContact O-N 3.24Å; F69-Y74 HydrophobicContact CD1-CE2 4.34Å; F69-Y74 AromaticContact CE1-CE2 3.68Å; F69-Y74 HydrophobicContact CE1-CE2 3.68Å; F69-Y74 HydrophobicContact CZ-CE2 4.22Å
70L91.4Very high87.9Confident2 Ų262 Ų621%0.0130%0.296CS..Hα-helixtrans-60.9-46.5177.6-68.9175.4000111.5V28 V32 W51 L56 I66 L67 R72 Q73 Y74 L75V28-L70 HydrophobicContact CG1-CD1 4.43Å; V28-L70 HydrophobicContact CG1-CD2 4.35Å; V32-L70 HydrophobicContact CG2-CD2 3.84Å; W51-L70 HydrophobicContact CH2-CD2 4.39Å; W51-L70 HydrophobicContact CZ3-CD2 4.3Å; L56-L70 HydrophobicContact CD1-CD1 3.66Å; L56-L70 HydrophobicContact CD2-CD1 3.84Å; L56-L70 HydrophobicContact CG-CD1 4.43Å; I66-L70 HydrophobicContact CG2-CD1 4.06Å; I66-L70 HydrophobicContact CG2-CG 4.24Å; I66-L70 WeakPolarHBondContact O-CG 3.29Å; I66-L70 PolarHBondContact O-N 3.28Å; L67-L70 PolarHBondContact O-N 3.39Å; L70-R72 PolarHBondContact O-N 2.83Å; L70-Q73 PolarHBondContact O-N 2.8Å; L70-Y74 HydrophobicContact CD2-CD2 3.72Å; L70-Y74 HydrophobicContact CD2-CE2 4.11Å; L70-Y74 PolarHBondContact O-N 2.88Å; L70-L75 PolarHBondContact O-N 3.09Å
71L90.9Very high88.7Confident0 Ų053.4 Ų53.40%026%0.26CS..Hα-helixtrans-62.8-28.1177.6-177.562.6000113.3L67 W68 F69 L75 W101 A104 L105 K108L67-L71 VanDerWaalsContact O-CB 3.27Å; L67-L71 WeakPolarHBondContact O-CB 3.4Å; L67-L71 PolarHBondContact O-N 3.44Å; W68-L71 HydrophobicContact CE3-CD2 4.17Å; W68-L71 HydrophobicContact CZ3-CD2 4.07Å; W68-L71 PolarHBondContact O-N 3.41Å; F69-L71 PolarHBondContact O-N 2.92Å; L71-L75 HydrophobicContact CB-CD1 4.25Å; L71-L75 HydrophobicContact CD1-CB 4.09Å; L71-L75 HydrophobicContact CD1-CD1 4.14Å; L71-W101 HydrophobicContact CD2-CG 4.43Å; L71-A104 HydrophobicContact CD2-CB 3.75Å; L71-L105 HydrophobicContact CD1-CD1 3.92Å; L71-K108 HydrophobicContact CD1-CB 4.2Å; L71-K108 HydrophobicContact CD1-CD 4.04Å; L71-K108 HydrophobicContact CG-CD 4.07Å; L71-K108 WeakPolarHBondContact O-CD 3.43Å; L71-K108 PolarHBondContact O-NZ 2.86Å; L71-K108 VanDerWaalsContact O-NZ 3.13Å
72R91.3Very high89.6Confident166 Ų16651.5 Ų51.563%0.62624%0.241SC*.Hα-helixtrans-86.3-37.1178.9-73.7177.6180-159.61.1113.2W68 F69 L70W68-R72 WeakPolarHBondContact O-CB 3.27Å; W68-R72 VanDerWaalsContact O-CG 3.25Å; W68-R72 WeakPolarHBondContact O-CG 3.5Å; W68-R72 PolarHBondContact O-N 2.89Å; F69-R72 PolarHBondContact O-N 3.36Å; L70-R72 PolarHBondContact O-N 2.83Å
73Q89.7Confident90.1Very high87 Ų8754.7 Ų54.741%0.40725%0.252SS..Hα-helixtrans-97.7-29.2-170-65.1-59.6-4000114.2F69 L70F69-Q73 HydrophobicContact CD2-CG 3.83Å; F69-Q73 HydrophobicContact CE2-CG 3.56Å; F69-Q73 HydrophobicContact CG-CG 4.43Å; F69-Q73 HydrophobicContact CZ-CG 3.93Å; F69-Q73 WeakPolarHBondContact O-CB 3.34Å; F69-Q73 WeakPolarHBondContact O-CG 3.12Å; F69-Q73 PolarHBondContact O-N 3.24Å; L70-Q73 PolarHBondContact O-N 2.8Å
74Y89.9Confident90.4Very high26 Ų2652.3 Ų52.310%0.10224%0.237CC..THydrogen-bonded Turntrans-132.3-44.4-166.5-54.6-67.3000114.1V32 V45 K46 Q48 W51 F69 L70V32-Y74 HydrophobicContact CG2-CD2 4.36Å; V32-Y74 HydrophobicContact CG2-CE2 3.78Å; V45-Y74 HydrophobicContact CG1-CD1 4.38Å; V45-Y74 HydrophobicContact CG1-CE1 3.99Å; K46-Y74 HydrophobicContact CG-CD1 4.5Å; Q48-Y74 PolarHBondContact NE2-O 2.85Å; W51-Y74 HydrophobicContact CD2-CG 4.4Å; W51-Y74 VanDerWaalsContact CE2-CB 3.48Å; W51-Y74 AromaticContact CE2-CD1 3.86Å; W51-Y74 AromaticContact CE2-CG 3.79Å; W51-Y74 HydrophobicContact CH2-CD1 4.22Å; W51-Y74 AromaticContact CH2-CD2 3.89Å; W51-Y74 HydrophobicContact CH2-CD2 3.89Å; W51-Y74 AromaticContact CH2-CG 3.74Å; W51-Y74 HydrophobicContact CH2-CG 3.74Å; W51-Y74 AromaticContact CZ2-CD1 3.51Å; W51-Y74 HydrophobicContact CZ2-CD1 3.51Å; W51-Y74 HydrophobicContact CZ2-CD2 4.04Å; W51-Y74 HydrophobicContact CZ2-CE1 4.17Å; W51-Y74 AromaticContact CZ2-CG 3.45Å; W51-Y74 HydrophobicContact CZ2-CG 3.45Å; W51-Y74 VanDerWaalsContact CZ2-CG 3.45Å; W51-Y74 HydrophobicContact CZ3-CD2 4.47Å; W51-Y74 HydrophobicContact CZ3-CG 4.31Å; F69-Y74 HydrophobicContact CD1-CE2 4.34Å; F69-Y74 AromaticContact CE1-CE2 3.68Å; F69-Y74 HydrophobicContact CE1-CE2 3.68Å; F69-Y74 HydrophobicContact CZ-CE2 4.22Å; L70-Y74 HydrophobicContact CD2-CD2 3.72Å; L70-Y74 HydrophobicContact CD2-CE2 4.11Å; L70-Y74 PolarHBondContact O-N 2.88Å
75L90.2Very high90.6Very high13 Ų1354.4 Ų54.47%0.06824%0.237CC..  trans-72.5136.2-179.6-47.2179.4000110.5W51 V54 L70 L71 L79W51-L75 HydrophobicContact CE3-CD2 4.08Å; V54-L75 HydrophobicContact CB-CD2 4.4Å; V54-L75 HydrophobicContact CG1-CD2 4.32Å; V54-L75 HydrophobicContact CG2-CD2 3.72Å; L70-L75 PolarHBondContact O-N 3.09Å; L71-L75 HydrophobicContact CB-CD1 4.25Å; L71-L75 HydrophobicContact CD1-CB 4.09Å; L71-L75 HydrophobicContact CD1-CD1 4.14Å; L75-L79 HydrophobicContact CB-CD2 4.41Å; L75-L79 HydrophobicContact CD1-CD2 4.29Å; L75-L79 HydrophobicContact CD2-CD1 4.23Å; L75-L79 HydrophobicContact CD2-CD2 4.3Å
76G88.4Confident90.4Very high13 Ų1344.5 Ų44.513%0.13420%0.201CC..SBendtrans-162.9-149.6179.800000111.7G78 L79 K108G76-G78 PolarHBondContact O-N 3.05Å; G76-L79 PolarHBondContact O-N 3.07Å; G76-L79 VanDerWaalsContact O-N 3.14Å; G76-K108 CarbonylContact C-O 3.57Å; G76-K108 WeakPolarHBondContact CA-O 3.46Å
77C87.6Confident90.1Very high69 Ų6943.9 Ų43.947%0.46620%0.198SC..THydrogen-bonded Turntrans-64.5-13.5-176.265.70000114.3K108 R111C77-K108 PolarHBondContact N-O 3.32Å; C77-R111 VanDerWaalsContact O-CD 3.3Å; C77-R111 WeakPolarHBondContact O-CD 3.41Å
78G86.9Confident89.4Confident12 Ų1246.3 Ų46.312%0.12421%0.211CC..THydrogen-bonded Turntrans-77.3-21.2175.700000114.8R52 G76 R80R52-G78 WeakPolarHBondContact CA-O 3.36Å; G76-G78 PolarHBondContact O-N 3.05Å; G78-R80 PolarHBondContact O-N 3.32Å
79L92.4Very high88.4Confident0 Ų049 Ų490%023%0.229CC..  trans-69.2123.8-172.7-175.368.6000111.2W51 V54 L75 G76 C81 L82 L105 C109 R111 L112W51-L79 WeakPolarHBondContact O-CA 3.13Å; W51-L79 WeakPolarHBondContact O-CD1 3.48Å; V54-L79 HydrophobicContact CB-CD1 3.97Å; V54-L79 HydrophobicContact CG2-CD1 3.56Å; L75-L79 HydrophobicContact CB-CD2 4.41Å; L75-L79 HydrophobicContact CD1-CD2 4.29Å; L75-L79 HydrophobicContact CD2-CD1 4.23Å; L75-L79 HydrophobicContact CD2-CD2 4.3Å; G76-L79 PolarHBondContact O-N 3.07Å; G76-L79 VanDerWaalsContact O-N 3.14Å; L79-C81 WeakPolarHBondContact CD1-O 3.28Å; L79-L82 HydrophobicContact CD2-CB 4.3Å; L79-L82 HydrophobicContact CD2-CD2 4.31Å; L79-L105 HydrophobicContact CD2-CD1 4.09Å; L79-C109 HydrophobicContact CB-CB 4.24Å; L79-C109 HydrophobicContact CD2-CB 4.09Å; L79-R111 CarbonylContact O-C 3.51Å; L79-R111 VanDerWaalsContact O-C 3.25Å; L79-L112 HydrophobicContact CD2-CD1 4.33Å; L79-L112 HydrophobicContact CD2-CD2 4.41Å; L79-L112 HydrophobicContact CG-CD1 4.2Å; L79-L112 WeakPolarHBondContact O-CA 3.36Å; L79-L112 PolarHBondContact O-N 3.48Å
80R93.7Very high87.4Confident133 Ų13346.8 Ų46.850%0.50223%0.226SC..  trans-118-33.3179.4-63.8-175.9-178.6-131.22.7112.9R52 G78 L112 S113 K114R52-R80 PolarHBondContact O-N 2.8Å; G78-R80 PolarHBondContact O-N 3.32Å; R80-L112 WeakPolarHBondContact O-CD1 3.3Å; R80-S113 PolarHBondContact O-N 3.04Å; R80-S113 PolarHBondContact O-OG 3.1Å; R80-S113 VanDerWaalsContact O-OG 3.07Å; R80-K114 PolarHBondContact O-N 3.33Å
81C95.1Very high85.9Confident17 Ų1752.2 Ų52.212%0.11527%0.271CS..EExtended strand (participates in β ladder)trans-132.8129.3178.8-177.70000111R52 T53 V54 L79 K114R52-C81 PolarHBondContact O-N 3.33Å; T53-C81 WeakPolarHBondContact CA-O 3.27Å; T53-C81 HydrophobicContact CG2-CB 4.07Å; V54-C81 PolarHBondContact N-O 2.89Å; L79-C81 WeakPolarHBondContact CD1-O 3.28Å; C81-K114 WeakPolarHBondContact CA-O 3.22Å; C81-K114 HydrophobicContact CB-CB 4.21Å
82L94.3Very high84.5Confident1 Ų161.6 Ų61.61%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-128.3122.2177.3-175.660.6000110.4V54 L79 L84 W101 L105 L112 K114 L115 C116V54-L82 HydrophobicContact CB-CD1 3.84Å; V54-L82 HydrophobicContact CG1-CD1 3.87Å; V54-L82 WeakPolarHBondContact O-CA 3.45Å; L79-L82 HydrophobicContact CD2-CB 4.3Å; L79-L82 HydrophobicContact CD2-CD2 4.31Å; L82-L84 HydrophobicContact CD1-CD2 3.89Å; L82-L84 HydrophobicContact CD1-CG 4.41Å; L82-L84 HydrophobicContact CD2-CD1 4.11Å; L82-L84 HydrophobicContact CD2-CD2 4.38Å; L82-L84 HydrophobicContact CD2-CG 4.32Å; L82-L84 HydrophobicContact CG-CD1 4.31Å; L82-L84 HydrophobicContact CG-CD2 4.01Å; L82-L84 HydrophobicContact CG-CG 3.98Å; L82-W101 HydrophobicContact CD2-CH2 3.7Å; L82-W101 HydrophobicContact CD2-CZ2 4.41Å; L82-L105 HydrophobicContact CD2-CD1 3.94Å; L82-L105 HydrophobicContact CD2-CD2 3.9Å; L82-L112 HydrophobicContact CB-CD1 4.01Å; L82-K114 PolarHBondContact N-O 2.95Å; L82-L115 HydrophobicContact CB-CD1 4.1Å; L82-L115 HydrophobicContact CD2-CD1 4.16Å; L82-L115 HydrophobicContact CG-CD1 4.23Å; L82-L115 WeakPolarHBondContact O-CA 3.46Å; L82-C116 PolarHBondContact O-N 3.48Å
83R94.1Very high83Confident74 Ų7455.6 Ų55.628%0.27930%0.296SS..EExtended strand (participates in β ladder)trans-116.3124.2176.1-49.5-177.175.4-143.911.7109.8V54 D55 L56 T57 C116V54-R83 PolarHBondContact O-N 3.03Å; D55-R83 HydrophobicContact CB-CB 4.42Å; D55-R83 WeakPolarHBondContact OD2-CD 3.5Å; D55-R83 IonicContact OD2-CZ 3.84Å; D55-R83 IonicContact OD2-NE 3.8Å; D55-R83 IonicContact OD2-NH1 3.32Å; D55-R83 PolarHBondContact OD2-NH1 2.98Å; L56-R83 PolarHBondContact N-O 3.47Å; T57-R83 HydrophobicContact CG2-CB 3.87Å; R83-C116 CarbonylContact C-O 3.2Å; R83-C116 WeakPolarHBondContact CA-O 3.27Å; R83-C116 HydrophobicContact CB-CB 4.11Å; R83-C116 HydrophobicContact CG-CB 3.88Å
84L91.5Very high81.7Confident2 Ų253.8 Ų53.81%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-126.1140.5-174.8-59.4179.7000110.2L56 L67 L82 F96 L97 W101 C116 L117 L118L56-L84 HydrophobicContact CB-CD2 4.15Å; L56-L84 HydrophobicContact CD1-CD2 3.66Å; L56-L84 HydrophobicContact CG-CD2 4.21Å; L67-L84 HydrophobicContact CD2-CD2 3.9Å; L82-L84 HydrophobicContact CD1-CD2 3.89Å; L82-L84 HydrophobicContact CD1-CG 4.41Å; L82-L84 HydrophobicContact CD2-CD1 4.11Å; L82-L84 HydrophobicContact CD2-CD2 4.38Å; L82-L84 HydrophobicContact CD2-CG 4.32Å; L82-L84 HydrophobicContact CG-CD1 4.31Å; L82-L84 HydrophobicContact CG-CD2 4.01Å; L82-L84 HydrophobicContact CG-CG 3.98Å; L84-F96 HydrophobicContact CB-CE1 4.15Å; L84-F96 HydrophobicContact CD1-CE1 4.45Å; L84-L97 HydrophobicContact CD1-CD2 3.8Å; L84-W101 HydrophobicContact CD1-CH2 3.66Å; L84-W101 HydrophobicContact CD1-CZ3 3.94Å; L84-C116 PolarHBondContact N-O 2.97Å; L84-L117 HydrophobicContact CB-CD2 3.88Å; L84-L117 HydrophobicContact CD1-CD2 3.89Å; L84-L117 HydrophobicContact CG-CD2 4.25Å; L84-L118 PolarHBondContact O-N 3.37Å
85R88.8Confident80.6Confident103 Ų10357 Ų5739%0.38932%0.323SS..EExtended strand (participates in β ladder)trans-110.3119169.6-174.2176.5-175.690.36.4109T57 L118 H119T57-R85 HydrophobicContact CG2-CB 4.26Å; T57-R85 WeakPolarHBondContact O-CD 3.44Å; R85-L118 CarbonylContact C-O 3.57Å; R85-L118 VanDerWaalsContact CA-O 3.32Å; R85-L118 WeakPolarHBondContact CA-O 3.39Å; R85-L118 HydrophobicContact CG-CB 4.46Å; R85-H119 PolarHBondContact NH1-CD2 2.82Å; R85-H119 PolarHBondContact NH1-NE2 3.27Å; R85-H119 PolarHBondContact NH2-CD2 3.46Å; R85-H119 VanDerWaalsContact NH2-CD2 3.27Å; R85-H119 PolarHBondContact NH2-NE2 3.2Å
86G83.3Confident79.9Confident7 Ų756.7 Ų56.77%0.07232%0.321CS..  trans-77-175.2174.800000112.8L118 H119G86-L118 PolarHBondContact N-O 3.28Å; G86-H119 CarbonylContact C-O 3.17Å; G86-H119 VanDerWaalsContact CA-O 3.26Å; G86-H119 WeakPolarHBondContact CA-O 3.43Å
87L81.4Confident79.6Confident33 Ų3356.2 Ų56.217%0.17332%0.316CS..SBendtrans-109.212-171.2-61.4173.6000113.1L89 S90 F96 H119L87-L89 VanDerWaalsContact C-N 3.3Å; L87-L89 PolarHBondContact O-N 3.31Å; L87-S90 VanDerWaalsContact O-CB 3.25Å; L87-S90 WeakPolarHBondContact O-CB 3.43Å; L87-S90 PolarHBondContact O-N 3.15Å; L87-F96 HydrophobicContact CD1-CB 4.25Å; L87-F96 HydrophobicContact CD1-CD2 4.33Å; L87-F96 HydrophobicContact CG-CB 4.19Å; L87-F96 HydrophobicContact CG-CD2 4.4Å; L87-H119 PolarHBondContact N-O 3.15Å
88L72.8Confident79.5Confident54 Ų5454.9 Ų54.928%0.28331%0.307SS..THydrogen-bonded Turntrans-60.2-39-174.6-171.570.7000112.7H119 D121 G142 E144L88-H119 HydrophobicContact CB-CB 4.35Å; L88-H119 WeakPolarHBondContact CB-O 3.49Å; L88-H119 PolarHBondContact N-O 3.22Å; L88-H119 VanDerWaalsContact N-O 3.08Å; L88-D121 HydrophobicContact CD1-CB 4.24Å; L88-G142 WeakPolarHBondContact CD2-O 3.31Å; L88-E144 HydrophobicContact CD2-CG 3.97Å
89L72.1Confident79.5Confident123 Ų12357.8 Ų57.864%0.64432%0.317SS*.THydrogen-bonded Turntrans-93.68.3176-58.2-178000113.2L87 H119L87-L89 VanDerWaalsContact C-N 3.3Å; L87-L89 PolarHBondContact O-N 3.31Å; L89-H119 HydrophobicContact CD1-CB 4.38Å; L89-H119 VanDerWaalsContact CD1-CE1 3.49Å; L89-H119 WeakPolarHBondContact CD1-CE1 3.49Å; L89-H119 VanDerWaalsContact CD1-ND1 3.27Å; L89-H119 WeakPolarHBondContact CD1-ND1 3.38Å; L89-H119 HydrophobicContact CG-CB 4.22Å
90S69.4Low79.3Confident47 Ų4760.9 Ų60.933%0.32934%0.339SS..SBendtrans-91.6136.7-179.4-174.90000109.9L87 R92 G93L87-S90 VanDerWaalsContact O-CB 3.25Å; L87-S90 WeakPolarHBondContact O-CB 3.43Å; L87-S90 PolarHBondContact O-N 3.15Å; S90-R92 PolarHBondContact O-N 3.3Å; S90-G93 PolarHBondContact O-N 3.39Å
91A61Low79.1Confident116 Ų11654.7 Ų54.796%0.95932%0.316SS*.THydrogen-bonded Turntrans-56.3-20.5175.700000113.8G93A91-G93 VanDerWaalsContact C-N 3.31Å
92R61.2Low78.8Confident198 Ų19854 Ų5475%0.74731%0.311SS*.THydrogen-bonded Turntrans-73.2-21.9177.5-66.2-173.1-175.1-175.7-0.1113.4S90S90-R92 PolarHBondContact O-N 3.3Å
93G58.6Low78.5Confident40 Ų4059.2 Ų59.241%0.41233%0.333SS..  trans55.6175.4-170.300000113.1S90 A91S90-G93 PolarHBondContact O-N 3.39Å; A91-G93 VanDerWaalsContact C-N 3.31Å
94G63.3Low78.3Confident48 Ų4856.5 Ų56.550%0.49533%0.327SS..  trans113.1163164.100000116.7F96G94-F96 PolarHBondContact O-N 2.98Å
95T66.3Low78.3Confident94 Ų9456.4 Ų56.458%0.57733%0.326SS*.  trans-77.5108.8-177.649.10000110.3
96F75.9Confident78.3Confident7 Ų753.4 Ų53.43%0.03132%0.321CS..  trans-82.6-35.7179.9175.2-113.1000112.6V62 L67 L84 L87 G94V62-F96 HydrophobicContact CB-CE2 4.11Å; V62-F96 HydrophobicContact CB-CZ 4.31Å; V62-F96 HydrophobicContact CG1-CE2 3.79Å; V62-F96 HydrophobicContact CG1-CZ 3.87Å; V62-F96 VanDerWaalsContact O-CE2 3.24Å; V62-F96 WeakPolarHBondContact O-CE2 3.35Å; L67-F96 HydrophobicContact CD1-CD1 4.26Å; L67-F96 HydrophobicContact CD1-CD2 4.25Å; L67-F96 HydrophobicContact CD1-CE1 3.57Å; L67-F96 HydrophobicContact CD1-CE2 3.57Å; L67-F96 HydrophobicContact CD1-CZ 3.21Å; L67-F96 HydrophobicContact CD2-CZ 3.83Å; L67-F96 HydrophobicContact CG-CE1 4.36Å; L67-F96 HydrophobicContact CG-CE2 3.86Å; L67-F96 HydrophobicContact CG-CZ 3.56Å; L84-F96 HydrophobicContact CB-CE1 4.15Å; L84-F96 HydrophobicContact CD1-CE1 4.45Å; L87-F96 HydrophobicContact CD1-CB 4.25Å; L87-F96 HydrophobicContact CD1-CD2 4.33Å; L87-F96 HydrophobicContact CG-CB 4.19Å; L87-F96 HydrophobicContact CG-CD2 4.4Å; G94-F96 PolarHBondContact O-N 2.98Å
97L81.7Confident78.6Confident3 Ų358.2 Ų58.22%0.01635%0.349CS..  trans-110.1115.1-175.9-64.7172000110.1L67 L84 W101 L117 A120 L122L67-L97 HydrophobicContact CD1-CD2 4.02Å; L84-L97 HydrophobicContact CD1-CD2 3.8Å; L97-W101 HydrophobicContact CD2-CE3 3.88Å; L97-W101 HydrophobicContact CD2-CZ3 3.77Å; L97-L117 HydrophobicContact CD1-CD1 3.95Å; L97-L117 HydrophobicContact CD1-CD2 3.76Å; L97-L117 HydrophobicContact CD1-CG 4.46Å; L97-A120 HydrophobicContact CD1-CB 4.21Å; L97-L122 HydrophobicContact CD1-CD2 3.91Å
98S85.1Confident79Confident41 Ų4160.8 Ų60.829%0.28736%0.359SS..  trans-93151.3171.669.10000111S100 W101 L102S98-S100 VanDerWaalsContact C-N 3.26Å; S98-S100 PolarHBondContact O-N 3.37Å; S98-S100 PolarHBondContact OG-OG 2.93Å; S98-W101 PolarHBondContact O-N 3.17Å; S98-W101 VanDerWaalsContact O-N 3.13Å; S98-W101 WeakPolarHBondContact OG-CB 3.24Å; S98-W101 PolarHBondContact OG-N 3.36Å; S98-L102 PolarHBondContact O-N 2.97Å
99E87.4Confident79.8Confident72 Ų7258.2 Ų58.234%0.33635%0.346SS..Hα-helixtrans-54.2-44.1172171.5177.7170.700111.8W101 L102 K103 L125 I130E99-W101 VanDerWaalsContact C-N 3.25Å; E99-W101 PolarHBondContact O-N 2.92Å; E99-L102 PolarHBondContact O-N 2.81Å; E99-K103 HydrophobicContact CG-CD 4.12Å; E99-K103 HydrophobicContact CG-CG 4.42Å; E99-K103 PolarHBondContact O-N 3.49Å; E99-K103 WeakPolarHBondContact OE1-CE 3.21Å; E99-K103 IonicContact OE1-NZ 2.73Å; E99-K103 PolarHBondContact OE1-NZ 3.08Å; E99-L125 HydrophobicContact CB-CD2 4.2Å; E99-I130 HydrophobicContact CB-CD1 4.28Å; E99-I130 HydrophobicContact CG-CD1 3.63Å; E99-I130 HydrophobicContact CG-CG1 4.18Å; E99-I130 HydrophobicContact CG-CG2 4.21Å
100S87.8Confident80.6Confident66 Ų6655.9 Ų55.946%0.46234%0.338SS..Hα-helixtrans-59.2-35.917953.50000113.1S98 A104S98-S100 VanDerWaalsContact C-N 3.26Å; S98-S100 PolarHBondContact O-N 3.37Å; S98-S100 PolarHBondContact OG-OG 2.93Å; S100-A104 WeakPolarHBondContact O-CB 3.45Å; S100-A104 PolarHBondContact O-N 3.26Å
101W89.9Confident81.6Confident3 Ų361 Ų611%0.01135%0.35CS..Hα-helixtrans-72.6-40.9178.5-177.388000111.2L67 W68 L71 L82 L84 L97 S98 E99 A104 L105L67-W101 HydrophobicContact CB-CZ2 4.35Å; L67-W101 HydrophobicContact CD1-CD2 4.41Å; L67-W101 HydrophobicContact CD1-CZ2 4.29Å; L67-W101 HydrophobicContact CD2-CZ2 4.14Å; L67-W101 PolarHBondContact O-NE1 2.91Å; W68-W101 AromaticContact CD2-CD1 3.77Å; W68-W101 AromaticContact CE2-CD1 3.78Å; W68-W101 AromaticContact CG-CD1 3.98Å; W68-W101 HydrophobicContact CZ2-CB 3.86Å; W68-W101 HydrophobicContact CZ2-CG 4.49Å; W68-W101 AromaticContact NE1-CD1 3.92Å; L71-W101 HydrophobicContact CD2-CG 4.43Å; L82-W101 HydrophobicContact CD2-CH2 3.7Å; L82-W101 HydrophobicContact CD2-CZ2 4.41Å; L84-W101 HydrophobicContact CD1-CH2 3.66Å; L84-W101 HydrophobicContact CD1-CZ3 3.94Å; L97-W101 HydrophobicContact CD2-CE3 3.88Å; L97-W101 HydrophobicContact CD2-CZ3 3.77Å; S98-W101 PolarHBondContact O-N 3.17Å; S98-W101 VanDerWaalsContact O-N 3.13Å; S98-W101 WeakPolarHBondContact OG-CB 3.24Å; S98-W101 PolarHBondContact OG-N 3.36Å; E99-W101 VanDerWaalsContact C-N 3.25Å; E99-W101 PolarHBondContact O-N 2.92Å; W101-A104 PolarHBondContact O-N 3.15Å; W101-L105 HydrophobicContact CH2-CD1 4.15Å; W101-L105 HydrophobicContact CH2-CD2 3.79Å; W101-L105 HydrophobicContact CH2-CG 4.4Å; W101-L105 HydrophobicContact CZ2-CD1 4.31Å; W101-L105 HydrophobicContact CZ3-CB 4.46Å; W101-L105 HydrophobicContact CZ3-CD2 3.78Å; W101-L105 WeakPolarHBondContact O-CB 3.47Å; W101-L105 PolarHBondContact O-N 2.96Å
102L88.9Confident83.1Confident3 Ų355.5 Ų55.52%0.01630%0.304CS..Hα-helixtrans-67.2-39.6176-71170.6000112.5S98 E99 A104 L105 S106 L125 I130 L131S98-L102 PolarHBondContact O-N 2.97Å; E99-L102 PolarHBondContact O-N 2.81Å; L102-A104 VanDerWaalsContact C-N 3.34Å; L102-A104 PolarHBondContact O-N 3.26Å; L102-L105 HydrophobicContact CD2-CD2 4.37Å; L102-L105 WeakPolarHBondContact O-CB 3.14Å; L102-L105 PolarHBondContact O-N 2.73Å; L102-S106 PolarHBondContact O-N 2.77Å; L102-L125 HydrophobicContact CD1-CD1 3.55Å; L102-L125 HydrophobicContact CD1-CD2 3.92Å; L102-L125 HydrophobicContact CD1-CG 4.41Å; L102-I130 HydrophobicContact CB-CG2 3.44Å; L102-I130 VanDerWaalsContact CB-CG2 3.44Å; L102-I130 HydrophobicContact CD1-CG2 4.11Å; L102-I130 HydrophobicContact CG-CG2 4.44Å; L102-L131 HydrophobicContact CD1-CD2 4.47Å; L102-L131 HydrophobicContact CD2-CD2 4.31Å
103K88.5Confident84.6Confident109 Ų10948 Ų4847%0.47428%0.282SS..Hα-helixtrans-58.9-46.3171.5-75.3-179.1169.2169.90111.2E99 L105 S106 T107 I130E99-K103 HydrophobicContact CG-CD 4.12Å; E99-K103 HydrophobicContact CG-CG 4.42Å; E99-K103 PolarHBondContact O-N 3.49Å; E99-K103 WeakPolarHBondContact OE1-CE 3.21Å; E99-K103 IonicContact OE1-NZ 2.73Å; E99-K103 PolarHBondContact OE1-NZ 3.08Å; K103-L105 VanDerWaalsContact C-N 3.31Å; K103-L105 PolarHBondContact O-N 2.61Å; K103-S106 PolarHBondContact O-N 2.59Å; K103-T107 WeakPolarHBondContact O-CG2 3.16Å; K103-T107 PolarHBondContact O-N 2.84Å; K103-T107 VanDerWaalsContact O-N 3.13Å; K103-T107 PolarHBondContact O-OG1 3.01Å; K103-I130 HydrophobicContact CG-CG2 4.02Å
104A90.3Very high86.3Confident17 Ų1749.2 Ų49.214%0.1428%0.276CS..Hα-helixtrans-66.9-31.2176.400000113.1W68 L71 S100 W101 L102 T107 K108W68-A104 HydrophobicContact CH2-CB 3.53Å; W68-A104 HydrophobicContact CZ3-CB 3.63Å; L71-A104 HydrophobicContact CD2-CB 3.75Å; S100-A104 WeakPolarHBondContact O-CB 3.45Å; S100-A104 PolarHBondContact O-N 3.26Å; W101-A104 PolarHBondContact O-N 3.15Å; L102-A104 VanDerWaalsContact C-N 3.34Å; L102-A104 PolarHBondContact O-N 3.26Å; A104-T107 PolarHBondContact O-OG1 2.98Å; A104-T107 VanDerWaalsContact O-OG1 3.07Å; A104-K108 WeakPolarHBondContact O-CB 3.33Å; A104-K108 WeakPolarHBondContact O-CG 3.48Å; A104-K108 PolarHBondContact O-N 3.19Å
105L90.8Very high87.8Confident0 Ų047 Ų470%025%0.253CS..Hα-helixtrans-65.8-46.4173.1-176.773.3000110.7L71 L79 L82 W101 L102 K103 T107 K108 C109 L112 P132L71-L105 HydrophobicContact CD1-CD1 3.92Å; L79-L105 HydrophobicContact CD2-CD1 4.09Å; L82-L105 HydrophobicContact CD2-CD1 3.94Å; L82-L105 HydrophobicContact CD2-CD2 3.9Å; W101-L105 HydrophobicContact CH2-CD1 4.15Å; W101-L105 HydrophobicContact CH2-CD2 3.79Å; W101-L105 HydrophobicContact CH2-CG 4.4Å; W101-L105 HydrophobicContact CZ2-CD1 4.31Å; W101-L105 HydrophobicContact CZ3-CB 4.46Å; W101-L105 HydrophobicContact CZ3-CD2 3.78Å; W101-L105 WeakPolarHBondContact O-CB 3.47Å; W101-L105 PolarHBondContact O-N 2.96Å; L102-L105 HydrophobicContact CD2-CD2 4.37Å; L102-L105 WeakPolarHBondContact O-CB 3.14Å; L102-L105 PolarHBondContact O-N 2.73Å; K103-L105 VanDerWaalsContact C-N 3.31Å; K103-L105 PolarHBondContact O-N 2.61Å; L105-T107 VanDerWaalsContact C-N 3.32Å; L105-T107 PolarHBondContact O-N 2.87Å; L105-K108 PolarHBondContact O-N 3.01Å; L105-C109 HydrophobicContact CD1-CB 4.26Å; L105-C109 WeakPolarHBondContact O-CA 3.06Å; L105-C109 VanDerWaalsContact O-CB 3.25Å; L105-C109 WeakPolarHBondContact O-CB 3.25Å; L105-C109 PolarHBondContact O-N 3.15Å; L105-L112 HydrophobicContact CD1-CD2 4.23Å; L105-L112 HydrophobicContact CD2-CD2 3.62Å; L105-L112 HydrophobicContact CG-CD2 3.9Å; L105-P132 HydrophobicContact CD2-CG 4.38Å
106S88.5Confident89.2Confident40 Ų4042.5 Ų42.528%0.2823%0.225SC..Hα-helixtrans-58.1-43.3178-176.10000111.9L102 K103L102-S106 PolarHBondContact O-N 2.77Å; K103-S106 PolarHBondContact O-N 2.59Å
107T89.1Confident90Very high109 Ų10942.4 Ų42.467%0.66923%0.225SC*.Hα-helixtrans-73.2-40.5179.957.30000113.4K103 A104 L105K103-T107 WeakPolarHBondContact O-CG2 3.16Å; K103-T107 PolarHBondContact O-N 2.84Å; K103-T107 VanDerWaalsContact O-N 3.13Å; K103-T107 PolarHBondContact O-OG1 3.01Å; A104-T107 PolarHBondContact O-OG1 2.98Å; A104-T107 VanDerWaalsContact O-OG1 3.07Å; L105-T107 VanDerWaalsContact C-N 3.32Å; L105-T107 PolarHBondContact O-N 2.87Å
108K89.6Confident90.4Very high86 Ų8643.3 Ų43.337%0.37423%0.23SC..Hα-helixtrans-81.9-27.7-177.5-73.5-169.5168.5-151.40114.5L71 G76 C77 A104 L105 P110L71-K108 HydrophobicContact CD1-CB 4.2Å; L71-K108 HydrophobicContact CD1-CD 4.04Å; L71-K108 HydrophobicContact CG-CD 4.07Å; L71-K108 WeakPolarHBondContact O-CD 3.43Å; L71-K108 PolarHBondContact O-NZ 2.86Å; L71-K108 VanDerWaalsContact O-NZ 3.13Å; G76-K108 CarbonylContact C-O 3.57Å; G76-K108 WeakPolarHBondContact CA-O 3.46Å; C77-K108 PolarHBondContact N-O 3.32Å; A104-K108 WeakPolarHBondContact O-CB 3.33Å; A104-K108 WeakPolarHBondContact O-CG 3.48Å; A104-K108 PolarHBondContact O-N 3.19Å; L105-K108 PolarHBondContact O-N 3.01Å; K108-P110 VanDerWaalsContact O-CD 3.22Å; K108-P110 WeakPolarHBondContact O-CD 3.46Å
109C90.9Very high90.6Very high0 Ų043.2 Ų43.20%023%0.225CC..  trans-119.665-173.4-540000110.6L79 L105 R111 L112L79-C109 HydrophobicContact CB-CB 4.24Å; L79-C109 HydrophobicContact CD2-CB 4.09Å; L105-C109 HydrophobicContact CD1-CB 4.26Å; L105-C109 WeakPolarHBondContact O-CA 3.06Å; L105-C109 VanDerWaalsContact O-CB 3.25Å; L105-C109 WeakPolarHBondContact O-CB 3.25Å; L105-C109 PolarHBondContact O-N 3.15Å; C109-R111 PolarHBondContact O-N 3.27Å; C109-R111 VanDerWaalsContact O-N 3.09Å; C109-L112 HydrophobicContact CB-CB 4.17Å; C109-L112 WeakPolarHBondContact O-CB 3.17Å; C109-L112 PolarHBondContact O-N 3.4Å
110P88.3Confident90.5Very high74 Ų7439.8 Ų39.848%0.48121%0.209SC..THydrogen-bonded Turntrans-67.6-12.3-176.829.1-37.2000113.3K108 S134K108-P110 VanDerWaalsContact O-CD 3.22Å; K108-P110 WeakPolarHBondContact O-CD 3.46Å; P110-S134 WeakPolarHBondContact O-CB 3.42Å; P110-S134 PolarHBondContact O-OG 3.23Å
111R90.7Very high90.4Very high155 Ų15537.8 Ų37.859%0.58519%0.193SC*.THydrogen-bonded Turntrans-99.48.6178.5-61.2-168.6177.6166.5-6.8113.9C77 L79 C109 S113C77-R111 VanDerWaalsContact O-CD 3.3Å; C77-R111 WeakPolarHBondContact O-CD 3.41Å; L79-R111 CarbonylContact O-C 3.51Å; L79-R111 VanDerWaalsContact O-C 3.25Å; C109-R111 PolarHBondContact O-N 3.27Å; C109-R111 VanDerWaalsContact O-N 3.09Å; R111-S113 PolarHBondContact O-N 3.04Å; R111-S113 VanDerWaalsContact O-N 3.09Å
112L92.3Very high90.2Very high0 Ų037.7 Ų37.70%019%0.193CC..  trans-69.6105-178.8177.955000110.7L79 R80 L82 L105 C109 K114 P132 S134 L135L79-L112 HydrophobicContact CD2-CD1 4.33Å; L79-L112 HydrophobicContact CD2-CD2 4.41Å; L79-L112 HydrophobicContact CG-CD1 4.2Å; L79-L112 WeakPolarHBondContact O-CA 3.36Å; L79-L112 PolarHBondContact O-N 3.48Å; R80-L112 WeakPolarHBondContact O-CD1 3.3Å; L82-L112 HydrophobicContact CB-CD1 4.01Å; L105-L112 HydrophobicContact CD1-CD2 4.23Å; L105-L112 HydrophobicContact CD2-CD2 3.62Å; L105-L112 HydrophobicContact CG-CD2 3.9Å; C109-L112 HydrophobicContact CB-CB 4.17Å; C109-L112 WeakPolarHBondContact O-CB 3.17Å; C109-L112 PolarHBondContact O-N 3.4Å; L112-K114 WeakPolarHBondContact CD1-O 3.33Å; L112-P132 HydrophobicContact CD2-CG 3.85Å; L112-P132 HydrophobicContact CG-CG 4.44Å; L112-S134 CarbonylContact O-C 3.57Å; L112-S134 PolarHBondContact O-OG 3.13Å; L112-L135 WeakPolarHBondContact O-CA 3.46Å; L112-L135 PolarHBondContact O-N 2.84Å
113S93.1Very high90Very high41 Ų4143.8 Ų43.829%0.28722%0.216SC..  trans-96-26.8-177.658.40000113.6R80 R111 R136 V137R80-S113 PolarHBondContact O-N 3.04Å; R80-S113 PolarHBondContact O-OG 3.1Å; R80-S113 VanDerWaalsContact O-OG 3.07Å; R111-S113 PolarHBondContact O-N 3.04Å; R111-S113 VanDerWaalsContact O-N 3.09Å; S113-R136 PolarHBondContact O-N 3.09Å; S113-V137 PolarHBondContact O-N 3.3Å
114K95.1Very high89.5Confident66 Ų6641.7 Ų41.729%0.28722%0.215SC..EExtended strand (participates in β ladder)trans-129.8123.2-175.5179.6166.4-179.91640112R80 C81 L82 L112 C116 V137 E139R80-K114 PolarHBondContact O-N 3.33Å; C81-K114 WeakPolarHBondContact CA-O 3.22Å; C81-K114 HydrophobicContact CB-CB 4.21Å; L82-K114 PolarHBondContact N-O 2.95Å; L112-K114 WeakPolarHBondContact CD1-O 3.33Å; K114-C116 WeakPolarHBondContact CE-SG 3.32Å; K114-V137 WeakPolarHBondContact CA-O 3.39Å; K114-V137 HydrophobicContact CB-CB 4.13Å; K114-V137 HydrophobicContact CD-CB 4.36Å; K114-V137 HydrophobicContact CD-CG1 4.17Å; K114-V137 HydrophobicContact CG-CB 3.97Å; K114-V137 HydrophobicContact CG-CG1 4.07Å; K114-E139 WeakPolarHBondContact CE-OE1 3.47Å; K114-E139 IonicContact NZ-OE1 3.75Å; K114-E139 PolarHBondContact NZ-OE1 3.13Å
115L94.4Very high89.1Confident0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-121.8123.8174.1-177.263.8000109.9L82 L117 L131 L135 V137 L138 E139L82-L115 HydrophobicContact CB-CD1 4.1Å; L82-L115 HydrophobicContact CD2-CD1 4.16Å; L82-L115 HydrophobicContact CG-CD1 4.23Å; L82-L115 WeakPolarHBondContact O-CA 3.46Å; L115-L117 HydrophobicContact CD1-CD2 3.99Å; L115-L117 HydrophobicContact CD2-CD1 4.37Å; L115-L117 HydrophobicContact CD2-CD2 4.43Å; L115-L117 HydrophobicContact CD2-CG 4.4Å; L115-L117 HydrophobicContact CG-CD2 4.11Å; L115-L117 HydrophobicContact CG-CG 4.17Å; L115-L131 HydrophobicContact CD2-CD2 3.89Å; L115-L135 HydrophobicContact CB-CD1 3.55Å; L115-L135 HydrophobicContact CB-CG 4.35Å; L115-L135 HydrophobicContact CD2-CD1 3.94Å; L115-L135 HydrophobicContact CG-CD1 4.41Å; L115-V137 PolarHBondContact N-O 2.87Å; L115-L138 HydrophobicContact CB-CD1 4.29Å; L115-L138 HydrophobicContact CD2-CD1 4.19Å; L115-L138 HydrophobicContact CG-CD1 4.41Å; L115-E139 PolarHBondContact O-N 3.04Å
116C94.7Very high88.4Confident0 Ų044.1 Ų44.10%023%0.229CC..EExtended strand (participates in β ladder)trans-116.6121.9174.5-53.70000109.9L82 R83 L84 K114 L118 E139L82-C116 PolarHBondContact O-N 3.48Å; R83-C116 CarbonylContact C-O 3.2Å; R83-C116 WeakPolarHBondContact CA-O 3.27Å; R83-C116 HydrophobicContact CB-CB 4.11Å; R83-C116 HydrophobicContact CG-CB 3.88Å; L84-C116 PolarHBondContact N-O 2.97Å; K114-C116 WeakPolarHBondContact CE-SG 3.32Å; C116-L118 HydrophobicContact CB-CD1 4.22Å; C116-E139 CarbonylContact C-O 3.53Å; C116-E139 WeakPolarHBondContact CA-O 3.48Å; C116-E139 HydrophobicContact CB-CB 4.12Å; C116-E139 VanDerWaalsContact SG-CD 3.55Å
117L92.4Very high88Confident5 Ų543.6 Ų43.63%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-114.6121.8176.6-56.2-179000109L84 L97 L115 A120 L122 E139 L140 R141 C143L84-L117 HydrophobicContact CB-CD2 3.88Å; L84-L117 HydrophobicContact CD1-CD2 3.89Å; L84-L117 HydrophobicContact CG-CD2 4.25Å; L97-L117 HydrophobicContact CD1-CD1 3.95Å; L97-L117 HydrophobicContact CD1-CD2 3.76Å; L97-L117 HydrophobicContact CD1-CG 4.46Å; L115-L117 HydrophobicContact CD1-CD2 3.99Å; L115-L117 HydrophobicContact CD2-CD1 4.37Å; L115-L117 HydrophobicContact CD2-CD2 4.43Å; L115-L117 HydrophobicContact CD2-CG 4.4Å; L115-L117 HydrophobicContact CG-CD2 4.11Å; L115-L117 HydrophobicContact CG-CG 4.17Å; L117-A120 HydrophobicContact CB-CB 4.22Å; L117-L122 HydrophobicContact CD1-CD1 4.04Å; L117-L122 HydrophobicContact CD1-CD2 3.88Å; L117-E139 PolarHBondContact N-O 2.92Å; L117-L140 HydrophobicContact CB-CD2 3.92Å; L117-L140 HydrophobicContact CD1-CD2 3.87Å; L117-L140 HydrophobicContact CG-CD2 4.16Å; L117-R141 PolarHBondContact O-N 3.38Å; L117-C143 PolarHBondContact O-SG 2.93Å
118L91.2Very high87.6Confident22 Ų2238.4 Ų38.412%0.11519%0.191CC..EExtended strand (participates in β ladder)trans-113.5125.5178.8-69.776.6000109.2T57 L84 R85 G86 C116 A120 R141T57-L118 HydrophobicContact CG2-CD1 3.77Å; T57-L118 HydrophobicContact CG2-CD2 4.17Å; T57-L118 HydrophobicContact CG2-CG 4.47Å; L84-L118 PolarHBondContact O-N 3.37Å; R85-L118 CarbonylContact C-O 3.57Å; R85-L118 VanDerWaalsContact CA-O 3.32Å; R85-L118 WeakPolarHBondContact CA-O 3.39Å; R85-L118 HydrophobicContact CG-CB 4.46Å; G86-L118 PolarHBondContact N-O 3.28Å; C116-L118 HydrophobicContact CB-CD1 4.22Å; L118-A120 PolarHBondContact O-N 3.49Å; L118-R141 CarbonylContact C-O 3.6Å; L118-R141 WeakPolarHBondContact CA-O 3.45Å; L118-R141 HydrophobicContact CG-CB 4.29Å
119H88.2Confident87Confident39 Ų3937.4 Ų37.418%0.18119%0.188CC..SBendtrans52.141.6177.1-46.4-68.4000113.6R85 G86 L87 L88 L89 R141 G142R85-H119 PolarHBondContact NH1-CD2 2.82Å; R85-H119 PolarHBondContact NH1-NE2 3.27Å; R85-H119 PolarHBondContact NH2-CD2 3.46Å; R85-H119 VanDerWaalsContact NH2-CD2 3.27Å; R85-H119 PolarHBondContact NH2-NE2 3.2Å; G86-H119 CarbonylContact C-O 3.17Å; G86-H119 VanDerWaalsContact CA-O 3.26Å; G86-H119 WeakPolarHBondContact CA-O 3.43Å; L87-H119 PolarHBondContact N-O 3.15Å; L88-H119 HydrophobicContact CB-CB 4.35Å; L88-H119 WeakPolarHBondContact CB-O 3.49Å; L88-H119 PolarHBondContact N-O 3.22Å; L88-H119 VanDerWaalsContact N-O 3.08Å; L89-H119 HydrophobicContact CD1-CB 4.38Å; L89-H119 VanDerWaalsContact CD1-CE1 3.49Å; L89-H119 WeakPolarHBondContact CD1-CE1 3.49Å; L89-H119 VanDerWaalsContact CD1-ND1 3.27Å; L89-H119 WeakPolarHBondContact CD1-ND1 3.38Å; L89-H119 HydrophobicContact CG-CB 4.22Å; H119-R141 PolarHBondContact N-O 2.9Å; H119-G142 WeakPolarHBondContact CA-O 2.97Å
120A86.4Confident86.6Confident1 Ų138.1 Ų38.11%0.00819%0.192CC..  trans-97.9137.4178.700000111L97 L117 L118 L122 C143 E144L97-A120 HydrophobicContact CD1-CB 4.21Å; L117-A120 HydrophobicContact CB-CB 4.22Å; L118-A120 PolarHBondContact O-N 3.49Å; A120-L122 HydrophobicContact CB-CD2 4.17Å; A120-L122 HydrophobicContact CB-CG 4.47Å; A120-C143 VanDerWaalsContact O-CA 3.26Å; A120-C143 WeakPolarHBondContact O-CA 3.38Å; A120-C143 WeakPolarHBondContact O-CB 3.37Å; A120-E144 PolarHBondContact O-N 3.25Å; A120-E144 VanDerWaalsContact O-N 3.12Å
121D85.9Confident86.3Confident24 Ų2435.1 Ų35.113%0.12817%0.171CC..BIsolated β-bridgetrans-84.6115.4166.6-171-5.9000108.9L88 R123L88-D121 HydrophobicContact CD1-CB 4.24Å; D121-R123 VanDerWaalsContact OD1-CB 3.31Å; D121-R123 WeakPolarHBondContact OD1-CB 3.35Å; D121-R123 WeakPolarHBondContact OD1-CG 3.38Å; D121-R123 IonicContact OD1-CZ 3.56Å; D121-R123 PolarHBondContact OD1-N 2.92Å; D121-R123 IonicContact OD1-NE 3.26Å; D121-R123 PolarHBondContact OD1-NE 3.32Å; D121-R123 IonicContact OD1-NH2 3.83Å; D121-R123 IonicContact OD2-CZ 2.67Å; D121-R123 IonicContact OD2-NE 3.08Å; D121-R123 PolarHBondContact OD2-NE 3Å; D121-R123 IonicContact OD2-NH2 2.97Å; D121-R123 PolarHBondContact OD2-NH2 2.88Å
122L85.4Confident85.9Confident1 Ų127.8 Ų27.81%0.00514%0.144CC..  trans-109.63.7179.5-53.2174.1000112L97 L117 A120 S124 L125 L140 C143 E144 L145 P146 F149L97-L122 HydrophobicContact CD1-CD2 3.91Å; L117-L122 HydrophobicContact CD1-CD1 4.04Å; L117-L122 HydrophobicContact CD1-CD2 3.88Å; A120-L122 HydrophobicContact CB-CD2 4.17Å; A120-L122 HydrophobicContact CB-CG 4.47Å; L122-S124 PolarHBondContact O-N 3.18Å; L122-L125 HydrophobicContact CB-CD1 4.19Å; L122-L125 HydrophobicContact CD2-CD1 3.74Å; L122-L125 WeakPolarHBondContact O-CB 3.36Å; L122-L125 PolarHBondContact O-N 2.78Å; L122-L140 HydrophobicContact CD1-CD2 4Å; L122-C143 HydrophobicContact CD1-CB 4.34Å; L122-E144 WeakPolarHBondContact CA-O 3.47Å; L122-E144 VanDerWaalsContact CB-O 3.27Å; L122-E144 WeakPolarHBondContact CB-O 3.15Å; L122-E144 PolarHBondContact N-O 3.26Å; L122-L145 HydrophobicContact CB-CD2 4.19Å; L122-L145 HydrophobicContact CD1-CD2 3.59Å; L122-L145 HydrophobicContact CG-CD2 4.45Å; L122-P146 WeakPolarHBondContact O-CD 3.39Å; L122-F149 HydrophobicContact CB-CE2 4.34Å; L122-F149 HydrophobicContact CD1-CE2 4.49Å; L122-F149 HydrophobicContact CD1-CZ 4.23Å
123R83.4Confident85.4Confident130 Ų13030 Ų3049%0.49117%0.166SC..THydrogen-bonded Turntrans-62.3-26.4-177.5-64.5174.5-64.1-177.18.5113.1D121 L125 E144D121-R123 VanDerWaalsContact OD1-CB 3.31Å; D121-R123 WeakPolarHBondContact OD1-CB 3.35Å; D121-R123 WeakPolarHBondContact OD1-CG 3.38Å; D121-R123 IonicContact OD1-CZ 3.56Å; D121-R123 PolarHBondContact OD1-N 2.92Å; D121-R123 IonicContact OD1-NE 3.26Å; D121-R123 PolarHBondContact OD1-NE 3.32Å; D121-R123 IonicContact OD1-NH2 3.83Å; D121-R123 IonicContact OD2-CZ 2.67Å; D121-R123 IonicContact OD2-NE 3.08Å; D121-R123 PolarHBondContact OD2-NE 3Å; D121-R123 IonicContact OD2-NH2 2.97Å; D121-R123 PolarHBondContact OD2-NH2 2.88Å; R123-L125 PolarHBondContact O-N 3.04Å; R123-E144 VanDerWaalsContact CD-OE2 3.29Å; R123-E144 WeakPolarHBondContact CD-OE2 3.15Å; R123-E144 HydrophobicContact CG-CB 4.09Å; R123-E144 IonicContact CZ-OE2 2.98Å; R123-E144 IonicContact NE-OE2 2.96Å; R123-E144 PolarHBondContact NE-OE2 3.15Å; R123-E144 IonicContact NH1-OE2 2.62Å; R123-E144 PolarHBondContact NH1-OE2 2.87Å; R123-E144 IonicContact NH2-OE2 2.81Å
124S79.7Confident85Confident65 Ų6529.9 Ų29.946%0.45517%0.166SC..THydrogen-bonded Turntrans-75.9-9175.6610000113.8L122L122-S124 PolarHBondContact O-N 3.18Å
125L82.1Confident84.8Confident6 Ų626.9 Ų26.93%0.03115%0.153CC..  trans-91.4133.8178.9-59.4176.4000109.8E99 L102 L122 R123 P146 F149E99-L125 HydrophobicContact CB-CD2 4.2Å; L102-L125 HydrophobicContact CD1-CD1 3.55Å; L102-L125 HydrophobicContact CD1-CD2 3.92Å; L102-L125 HydrophobicContact CD1-CG 4.41Å; L122-L125 HydrophobicContact CB-CD1 4.19Å; L122-L125 HydrophobicContact CD2-CD1 3.74Å; L122-L125 WeakPolarHBondContact O-CB 3.36Å; L122-L125 PolarHBondContact O-N 2.78Å; R123-L125 PolarHBondContact O-N 3.04Å; L125-P146 WeakPolarHBondContact O-CG 3.42Å; L125-F149 HydrophobicContact CB-CE2 4.38Å; L125-F149 HydrophobicContact CD1-CE2 4.3Å
126P75.2Confident84.7Confident63 Ų6333.6 Ų33.641%0.40918%0.178SC..  trans-68.1-45.3-177.325.2-34.3000112.7I130 S148P126-I130 HydrophobicContact CG-CD1 3.36Å; P126-S148 PolarHBondContact O-OG 3.3Å
127N80.2Confident84.8Confident28 Ų2835.1 Ų35.115%0.1519%0.188CC..  trans-161.3176179.46629.6000112.7Q129 F149N127-Q129 VanDerWaalsContact C-N 3.29Å; N127-Q129 PolarHBondContact ND2-OE1 3.18Å; N127-Q129 PolarHBondContact O-N 2.98Å; N127-Q129 VanDerWaalsContact OD1-CB 3.25Å; N127-Q129 WeakPolarHBondContact OD1-CB 3.28Å; N127-Q129 PolarHBondContact OD1-N 3.07Å; N127-F149 CarbonylContact C-O 3.52Å
128C80.4Confident84.9Confident0 Ų035 Ų350%019%0.187CC..G310 helixtrans-75-8.3179.159.60000114.5I130 L131 F149 I161C128-I130 PolarHBondContact O-N 3.18Å; C128-L131 HydrophobicContact CB-CD1 4.04Å; C128-L131 WeakPolarHBondContact O-CB 2.95Å; C128-L131 VanDerWaalsContact O-CG 3.29Å; C128-L131 WeakPolarHBondContact O-CG 3.43Å; C128-L131 PolarHBondContact O-N 2.67Å; C128-F149 HydrophobicContact CB-CD1 4.29Å; C128-F149 HydrophobicContact CB-CE1 4.04Å; C128-F149 HydrophobicContact CB-CZ 4.29Å; C128-F149 WeakPolarHBondContact CB-O 3.45Å; C128-F149 PolarHBondContact N-O 2.77Å; C128-F149 PolarHBondContact SG-O 3.39Å; C128-I161 VanDerWaalsContact C-CD1 3.42Å; C128-I161 HydrophobicContact CB-CD1 3.66Å; C128-I161 WeakPolarHBondContact O-CD1 3.48Å; C128-I161 WeakPolarHBondContact SG-CD1 3.32Å
129Q77.9Confident85.1Confident66 Ų6634.7 Ų34.731%0.30819%0.185SC..G310 helixtrans-67.5-19179.1-59.3176-45.300112.6N127 L131N127-Q129 VanDerWaalsContact C-N 3.29Å; N127-Q129 PolarHBondContact ND2-OE1 3.18Å; N127-Q129 PolarHBondContact O-N 2.98Å; N127-Q129 VanDerWaalsContact OD1-CB 3.25Å; N127-Q129 WeakPolarHBondContact OD1-CB 3.28Å; N127-Q129 PolarHBondContact OD1-N 3.07Å; Q129-L131 PolarHBondContact O-N 3.42Å
130I81Confident85.3Confident15 Ų1532.9 Ų32.98%0.07718%0.176CC..G310 helixtrans-69.5-18.3173.8-63.5159.9000111.6E99 L102 K103 P126 C128E99-I130 HydrophobicContact CB-CD1 4.28Å; E99-I130 HydrophobicContact CG-CD1 3.63Å; E99-I130 HydrophobicContact CG-CG1 4.18Å; E99-I130 HydrophobicContact CG-CG2 4.21Å; L102-I130 HydrophobicContact CB-CG2 3.44Å; L102-I130 VanDerWaalsContact CB-CG2 3.44Å; L102-I130 HydrophobicContact CD1-CG2 4.11Å; L102-I130 HydrophobicContact CG-CG2 4.44Å; K103-I130 HydrophobicContact CG-CG2 4.02Å; P126-I130 HydrophobicContact CG-CD1 3.36Å; C128-I130 PolarHBondContact O-N 3.18Å
131L83.7Confident85.6Confident11 Ų1136.3 Ų36.36%0.05819%0.189CC..SBendtrans-69.1154.9178.4-61.1176.5000111.4L102 L115 C128 Q129 G133 L135 L138 F149L102-L131 HydrophobicContact CD1-CD2 4.47Å; L102-L131 HydrophobicContact CD2-CD2 4.31Å; L115-L131 HydrophobicContact CD2-CD2 3.89Å; C128-L131 HydrophobicContact CB-CD1 4.04Å; C128-L131 WeakPolarHBondContact O-CB 2.95Å; C128-L131 VanDerWaalsContact O-CG 3.29Å; C128-L131 WeakPolarHBondContact O-CG 3.43Å; C128-L131 PolarHBondContact O-N 2.67Å; Q129-L131 PolarHBondContact O-N 3.42Å; L131-G133 PolarHBondContact O-N 2.9Å; L131-L135 HydrophobicContact CB-CD1 4.48Å; L131-L138 HydrophobicContact CD1-CD1 4.41Å; L131-L138 HydrophobicContact CD1-CD2 4.03Å; L131-F149 HydrophobicContact CD1-CZ 4.47Å
132P81.4Confident85.7Confident1 Ų135.7 Ų35.71%0.00619%0.188CC..  trans-58130.6176.1-1928.7000112.1L105 L112 S134 L135L105-P132 HydrophobicContact CD2-CG 4.38Å; L112-P132 HydrophobicContact CD2-CG 3.85Å; L112-P132 HydrophobicContact CG-CG 4.44Å; P132-S134 PolarHBondContact O-N 2.74Å; P132-L135 HydrophobicContact CG-CD1 4.5Å; P132-L135 WeakPolarHBondContact O-CB 3.33Å; P132-L135 PolarHBondContact O-N 3.21Å; P132-L135 VanDerWaalsContact O-N 3.13Å
133G81.3Confident85.9Confident46 Ų4635.6 Ų35.647%0.47419%0.188SC..THydrogen-bonded Turntrans-65.5-17.3179.600000114.5L131 L135L131-G133 PolarHBondContact O-N 2.9Å; G133-L135 VanDerWaalsContact C-N 3.29Å
134S85.8Confident86.1Confident39 Ų3932 Ų3227%0.27318%0.177SC..THydrogen-bonded Turntrans-83.9-1.1176.350.20000114.6P110 L112 P132 R136P110-S134 WeakPolarHBondContact O-CB 3.42Å; P110-S134 PolarHBondContact O-OG 3.23Å; L112-S134 CarbonylContact O-C 3.57Å; L112-S134 PolarHBondContact O-OG 3.13Å; P132-S134 PolarHBondContact O-N 2.74Å; S134-R136 PolarHBondContact O-N 2.78Å
135L90.1Very high86.5Confident2 Ų229.4 Ų29.41%0.0116%0.157CC..  trans-72.3123.3-175.1-162.2154.5000110.6L112 L115 L131 P132 G133 V137 L138 G162 V163L112-L135 WeakPolarHBondContact O-CA 3.46Å; L112-L135 PolarHBondContact O-N 2.84Å; L115-L135 HydrophobicContact CB-CD1 3.55Å; L115-L135 HydrophobicContact CB-CG 4.35Å; L115-L135 HydrophobicContact CD2-CD1 3.94Å; L115-L135 HydrophobicContact CG-CD1 4.41Å; L131-L135 HydrophobicContact CB-CD1 4.48Å; P132-L135 HydrophobicContact CG-CD1 4.5Å; P132-L135 WeakPolarHBondContact O-CB 3.33Å; P132-L135 PolarHBondContact O-N 3.21Å; P132-L135 VanDerWaalsContact O-N 3.13Å; G133-L135 VanDerWaalsContact C-N 3.29Å; L135-V137 WeakPolarHBondContact CD2-O 3.4Å; L135-L138 HydrophobicContact CD2-CB 3.8Å; L135-G162 CarbonylContact O-C 3.34Å; L135-V163 HydrophobicContact CD2-CG2 3.5Å; L135-V163 WeakPolarHBondContact O-CG2 3.28Å
136R92.9Very high86.7Confident141 Ų14130.1 Ų30.153%0.53216%0.162SC..  trans-106.1-31.3178.5-60.3-171.6-176.7-161.81.2112.4S113 S134 E164 T165S113-R136 PolarHBondContact O-N 3.09Å; S134-R136 PolarHBondContact O-N 2.78Å; R136-E164 PolarHBondContact O-N 3.28Å; R136-T165 PolarHBondContact O-N 3.46Å
137V95.3Very high86.9Confident33 Ų3337.6 Ų37.620%0.218%0.182CC..EExtended strand (participates in β ladder)trans-124.8116.7-176.9-175.30000109.9S113 K114 L115 L135 E139 T165S113-V137 PolarHBondContact O-N 3.3Å; K114-V137 WeakPolarHBondContact CA-O 3.39Å; K114-V137 HydrophobicContact CB-CB 4.13Å; K114-V137 HydrophobicContact CD-CB 4.36Å; K114-V137 HydrophobicContact CD-CG1 4.17Å; K114-V137 HydrophobicContact CG-CB 3.97Å; K114-V137 HydrophobicContact CG-CG1 4.07Å; L115-V137 PolarHBondContact N-O 2.87Å; L135-V137 WeakPolarHBondContact CD2-O 3.4Å; V137-E139 HydrophobicContact CG1-CG 4.17Å; V137-T165 WeakPolarHBondContact CA-O 3.37Å; V137-T165 HydrophobicContact CG1-CG2 4.2Å
138L94.7Very high86.9Confident1 Ų138.9 Ų38.91%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-112.5116.5173.1-176.760.5000109.4L115 L131 L135 L140 F150 V163 T165 L166 V167 W185L115-L138 HydrophobicContact CB-CD1 4.29Å; L115-L138 HydrophobicContact CD2-CD1 4.19Å; L115-L138 HydrophobicContact CG-CD1 4.41Å; L131-L138 HydrophobicContact CD1-CD1 4.41Å; L131-L138 HydrophobicContact CD1-CD2 4.03Å; L135-L138 HydrophobicContact CD2-CB 3.8Å; L138-L140 HydrophobicContact CD1-CD2 3.99Å; L138-L140 HydrophobicContact CD1-CG 4.46Å; L138-L140 HydrophobicContact CD2-CD1 4.37Å; L138-L140 HydrophobicContact CD2-CG 4.48Å; L138-L140 HydrophobicContact CG-CD2 4.22Å; L138-L140 HydrophobicContact CG-CG 4.15Å; L138-F150 HydrophobicContact CD2-CE1 4.46Å; L138-V163 HydrophobicContact CB-CG1 4.37Å; L138-T165 PolarHBondContact N-O 3.24Å; L138-L166 HydrophobicContact CB-CD1 3.98Å; L138-L166 HydrophobicContact CD2-CD1 3.92Å; L138-L166 HydrophobicContact CG-CD1 4.02Å; L138-L166 WeakPolarHBondContact O-CA 3.33Å; L138-V167 PolarHBondContact O-N 3.03Å; L138-W185 HydrophobicContact CD2-CH2 4.4Å
139E95.3Very high87Confident17 Ų1739 Ų398%0.07919%0.194CC..EExtended strand (participates in β ladder)trans-111124.8172.1-52-169.9-161.200110.4K114 L115 C116 L117 V137 R141 V167K114-E139 WeakPolarHBondContact CE-OE1 3.47Å; K114-E139 IonicContact NZ-OE1 3.75Å; K114-E139 PolarHBondContact NZ-OE1 3.13Å; L115-E139 PolarHBondContact O-N 3.04Å; C116-E139 CarbonylContact C-O 3.53Å; C116-E139 WeakPolarHBondContact CA-O 3.48Å; C116-E139 HydrophobicContact CB-CB 4.12Å; C116-E139 VanDerWaalsContact SG-CD 3.55Å; L117-E139 PolarHBondContact N-O 2.92Å; V137-E139 HydrophobicContact CG1-CG 4.17Å; E139-R141 IonicContact OE2-CZ 3.21Å; E139-R141 IonicContact OE2-NE 3.03Å; E139-R141 PolarHBondContact OE2-NE 3.33Å; E139-R141 IonicContact OE2-NH2 3.58Å; E139-R141 PolarHBondContact OE2-NH2 3.2Å; E139-R141 VanDerWaalsContact OE2-NH2 3.12Å; E139-V167 CarbonylContact C-O 3.49Å; E139-V167 WeakPolarHBondContact CA-O 3.45Å; E139-V167 HydrophobicContact CB-CB 4.15Å; E139-V167 HydrophobicContact CG-CB 3.91Å; E139-V167 HydrophobicContact CG-CG2 4.1Å
140L93.9Very high87.3Confident0 Ų035.9 Ų35.90%018%0.179CC..EExtended strand (participates in β ladder)trans-121.3117.7176-54.5176.6000108.6L117 L122 L138 C143 L145 F150 V167 L168 N169 V171L117-L140 HydrophobicContact CB-CD2 3.92Å; L117-L140 HydrophobicContact CD1-CD2 3.87Å; L117-L140 HydrophobicContact CG-CD2 4.16Å; L122-L140 HydrophobicContact CD1-CD2 4Å; L138-L140 HydrophobicContact CD1-CD2 3.99Å; L138-L140 HydrophobicContact CD1-CG 4.46Å; L138-L140 HydrophobicContact CD2-CD1 4.37Å; L138-L140 HydrophobicContact CD2-CG 4.48Å; L138-L140 HydrophobicContact CG-CD2 4.22Å; L138-L140 HydrophobicContact CG-CG 4.15Å; L140-C143 HydrophobicContact CB-CB 4.36Å; L140-L145 HydrophobicContact CD1-CD1 4.15Å; L140-L145 HydrophobicContact CD1-CD2 3.97Å; L140-F150 HydrophobicContact CD1-CZ 4.14Å; L140-V167 PolarHBondContact N-O 2.9Å; L140-L168 HydrophobicContact CB-CD2 3.8Å; L140-L168 HydrophobicContact CD1-CD2 3.74Å; L140-L168 HydrophobicContact CG-CD2 4.1Å; L140-L168 WeakPolarHBondContact O-CA 3.38Å; L140-N169 PolarHBondContact O-N 2.82Å; L140-V171 HydrophobicContact CB-CG2 4.31Å; L140-V171 WeakPolarHBondContact O-CG2 3.38Å
141R92.2Very high87.1Confident74 Ų7438.5 Ų38.528%0.27919%0.194SC..EExtended strand (participates in β ladder)trans-124.2120.2-179.1-51.8-167.6177.9-114.9-2.1110.4L117 L118 H119 E139 C143 N169L117-R141 PolarHBondContact O-N 3.38Å; L118-R141 CarbonylContact C-O 3.6Å; L118-R141 WeakPolarHBondContact CA-O 3.45Å; L118-R141 HydrophobicContact CG-CB 4.29Å; H119-R141 PolarHBondContact N-O 2.9Å; E139-R141 IonicContact OE2-CZ 3.21Å; E139-R141 IonicContact OE2-NE 3.03Å; E139-R141 PolarHBondContact OE2-NE 3.33Å; E139-R141 IonicContact OE2-NH2 3.58Å; E139-R141 PolarHBondContact OE2-NH2 3.2Å; E139-R141 VanDerWaalsContact OE2-NH2 3.12Å; R141-C143 PolarHBondContact O-N 2.9Å; R141-N169 CarbonylContact C-O 3.58Å; R141-N169 VanDerWaalsContact CA-O 3.23Å; R141-N169 WeakPolarHBondContact CA-O 3.25Å; R141-N169 HydrophobicContact CB-CB 4.31Å; R141-N169 HydrophobicContact CG-CB 3.99Å; R141-N169 PolarHBondContact NH1-ND2 3.4Å
142G87.7Confident86.3Confident10 Ų1040 Ų4010%0.10320%0.201CC..SBendtrans64.223.4179.900000114L88 H119 N169 N170L88-G142 WeakPolarHBondContact CD2-O 3.31Å; H119-G142 WeakPolarHBondContact CA-O 2.97Å; G142-N169 PolarHBondContact N-O 3.28Å; G142-N170 WeakPolarHBondContact CA-O 3.27Å; G142-N170 PolarHBondContact N-O 3.19Å
143C89.3Confident85Confident0 Ų042.9 Ų42.90%022%0.221CC..  trans-90.4158.9-176.4-640000111.8L117 A120 L122 L140 R141 V171L117-C143 PolarHBondContact O-SG 2.93Å; A120-C143 VanDerWaalsContact O-CA 3.26Å; A120-C143 WeakPolarHBondContact O-CA 3.38Å; A120-C143 WeakPolarHBondContact O-CB 3.37Å; L122-C143 HydrophobicContact CD1-CB 4.34Å; L140-C143 HydrophobicContact CB-CB 4.36Å; R141-C143 PolarHBondContact O-N 2.9Å; C143-V171 WeakPolarHBondContact O-CG1 3.36Å
144E87.6Confident83.4Confident55 Ų5547.2 Ų47.226%0.25723%0.232SC..BIsolated β-bridgetrans-109.9132.4168.4-73.3-168.3-15200110.8L88 A120 L122 R123L88-E144 HydrophobicContact CD2-CG 3.97Å; A120-E144 PolarHBondContact O-N 3.25Å; A120-E144 VanDerWaalsContact O-N 3.12Å; L122-E144 WeakPolarHBondContact CA-O 3.47Å; L122-E144 VanDerWaalsContact CB-O 3.27Å; L122-E144 WeakPolarHBondContact CB-O 3.15Å; L122-E144 PolarHBondContact N-O 3.26Å; R123-E144 VanDerWaalsContact CD-OE2 3.29Å; R123-E144 WeakPolarHBondContact CD-OE2 3.15Å; R123-E144 HydrophobicContact CG-CB 4.09Å; R123-E144 IonicContact CZ-OE2 2.98Å; R123-E144 IonicContact NE-OE2 2.96Å; R123-E144 PolarHBondContact NE-OE2 3.15Å; R123-E144 IonicContact NH1-OE2 2.62Å; R123-E144 PolarHBondContact NH1-OE2 2.87Å; R123-E144 IonicContact NH2-OE2 2.81Å
145L87.9Confident81.6Confident9 Ų950.4 Ų50.45%0.04725%0.252CS..  trans-117.9141.6-173.1-63.9171.8000111.7L122 L140 F149 F150 V171 S173 F174L122-L145 HydrophobicContact CB-CD2 4.19Å; L122-L145 HydrophobicContact CD1-CD2 3.59Å; L122-L145 HydrophobicContact CG-CD2 4.45Å; L140-L145 HydrophobicContact CD1-CD1 4.15Å; L140-L145 HydrophobicContact CD1-CD2 3.97Å; L145-F149 HydrophobicContact CD2-CB 4.4Å; L145-F149 HydrophobicContact CD2-CD1 3.7Å; L145-F149 HydrophobicContact CD2-CD2 4.28Å; L145-F149 HydrophobicContact CD2-CE1 3.97Å; L145-F149 HydrophobicContact CD2-CG 3.86Å; L145-F149 HydrophobicContact CD2-CZ 4.37Å; L145-F150 HydrophobicContact CD1-CE2 3.74Å; L145-F150 HydrophobicContact CD1-CZ 3.92Å; L145-V171 HydrophobicContact CD1-CG1 3.72Å; L145-V171 HydrophobicContact CG-CG1 4.17Å; L145-S173 PolarHBondContact N-OG 3.27Å; L145-F174 HydrophobicContact CD1-CD2 4.28Å
146P86.1Confident79.2Confident22 Ų2256.5 Ų56.514%0.14329%0.289CS..  trans-74.7151.4166.528.8-28.7000110.8L122 L125 S148 F149 H178L122-P146 WeakPolarHBondContact O-CD 3.39Å; L125-P146 WeakPolarHBondContact O-CG 3.42Å; P146-S148 PolarHBondContact O-N 2.63Å; P146-S148 VanDerWaalsContact O-N 3.07Å; P146-F149 HydrophobicContact CG-CB 3.9Å; P146-F149 HydrophobicContact CG-CD2 3.94Å; P146-F149 HydrophobicContact CG-CG 4.38Å; P146-F149 VanDerWaalsContact O-CB 3.27Å; P146-F149 WeakPolarHBondContact O-CB 3.45Å; P146-F149 PolarHBondContact O-N 3.3Å; P146-H178 PolarHBondContact O-NE2 3.29Å
147R79.6Confident76.9Confident219 Ų21952.4 Ų52.483%0.82628%0.283SS*.THydrogen-bonded Turntrans-54.3-33.1-175.8-65.4-176.8-178.9-177.10.5114H178R147-H178 VanDerWaalsContact CA-NE2 3.35Å; R147-H178 WeakPolarHBondContact CA-NE2 3.19Å; R147-H178 PolarHBondContact O-CD2 2.93Å; R147-H178 PolarHBondContact O-NE2 3.35Å
148S80.8Confident74.5Confident55 Ų5557.4 Ų57.439%0.38532%0.316SS..THydrogen-bonded Turntrans-94.27.6-177.253.40000113.6P126 P146 F150 N151P126-S148 PolarHBondContact O-OG 3.3Å; P146-S148 PolarHBondContact O-N 2.63Å; P146-S148 VanDerWaalsContact O-N 3.07Å; S148-F150 VanDerWaalsContact C-N 3.32Å; S148-F150 PolarHBondContact O-N 2.69Å; S148-N151 VanDerWaalsContact O-CB 3.29Å; S148-N151 WeakPolarHBondContact O-CB 3.1Å; S148-N151 PolarHBondContact O-N 3.23Å
149F82.4Confident72.4Confident3 Ų359.9 Ų59.91%0.01334%0.336CS..THydrogen-bonded Turntrans-55.7-46.1-168.9-170.7-105000112.9L122 L125 N127 C128 L131 L145 P146 N151L122-F149 HydrophobicContact CB-CE2 4.34Å; L122-F149 HydrophobicContact CD1-CE2 4.49Å; L122-F149 HydrophobicContact CD1-CZ 4.23Å; L125-F149 HydrophobicContact CB-CE2 4.38Å; L125-F149 HydrophobicContact CD1-CE2 4.3Å; N127-F149 CarbonylContact C-O 3.52Å; C128-F149 HydrophobicContact CB-CD1 4.29Å; C128-F149 HydrophobicContact CB-CE1 4.04Å; C128-F149 HydrophobicContact CB-CZ 4.29Å; C128-F149 WeakPolarHBondContact CB-O 3.45Å; C128-F149 PolarHBondContact N-O 2.77Å; C128-F149 PolarHBondContact SG-O 3.39Å; L131-F149 HydrophobicContact CD1-CZ 4.47Å; L145-F149 HydrophobicContact CD2-CB 4.4Å; L145-F149 HydrophobicContact CD2-CD1 3.7Å; L145-F149 HydrophobicContact CD2-CD2 4.28Å; L145-F149 HydrophobicContact CD2-CE1 3.97Å; L145-F149 HydrophobicContact CD2-CG 3.86Å; L145-F149 HydrophobicContact CD2-CZ 4.37Å; P146-F149 HydrophobicContact CG-CB 3.9Å; P146-F149 HydrophobicContact CG-CD2 3.94Å; P146-F149 HydrophobicContact CG-CG 4.38Å; P146-F149 VanDerWaalsContact O-CB 3.27Å; P146-F149 WeakPolarHBondContact O-CB 3.45Å; P146-F149 PolarHBondContact O-N 3.3Å; F149-N151 VanDerWaalsContact C-N 3.33Å
150F83.4Confident70.9Confident0 Ų065.5 Ų65.50%036%0.357CS..THydrogen-bonded Turntrans-87.42.4-178.6-59.1-67.2000114.3L138 L140 L145 S148 Q152 L166 F174 H178 N181 L182 W185L138-F150 HydrophobicContact CD2-CE1 4.46Å; L140-F150 HydrophobicContact CD1-CZ 4.14Å; L145-F150 HydrophobicContact CD1-CE2 3.74Å; L145-F150 HydrophobicContact CD1-CZ 3.92Å; S148-F150 VanDerWaalsContact C-N 3.32Å; S148-F150 PolarHBondContact O-N 2.69Å; F150-Q152 PolarHBondContact O-N 2.89Å; F150-L166 HydrophobicContact CE1-CD1 4.43Å; F150-L166 HydrophobicContact CE1-CD2 4.35Å; F150-L166 HydrophobicContact CZ-CD2 4.43Å; F150-F174 HydrophobicContact CD2-CE2 4.17Å; F150-F174 AromaticContact CE2-CD2 3.84Å; F150-F174 HydrophobicContact CE2-CD2 3.84Å; F150-F174 AromaticContact CE2-CE2 3.6Å; F150-F174 HydrophobicContact CE2-CE2 3.6Å; F150-F174 HydrophobicContact CZ-CE2 4.35Å; F150-H178 HydrophobicContact CD2-CB 3.89Å; F150-H178 AromaticContact CD2-CD2 3.86Å; F150-H178 HydrophobicContact CE2-CB 4.25Å; F150-N181 HydrophobicContact CB-CB 3.92Å; F150-L182 HydrophobicContact CB-CD2 4.09Å; F150-L182 HydrophobicContact CD1-CD2 3.82Å; F150-L182 HydrophobicContact CD2-CD2 4.37Å; F150-L182 HydrophobicContact CE1-CD2 4.32Å; F150-L182 HydrophobicContact CG-CD2 3.84Å; F150-W185 AromaticContact CD1-CH2 3.84Å; F150-W185 HydrophobicContact CD1-CH2 3.84Å; F150-W185 AromaticContact CD1-CZ2 3.53Å; F150-W185 HydrophobicContact CD1-CZ2 3.53Å; F150-W185 HydrophobicContact CE1-CH2 4.01Å; F150-W185 HydrophobicContact CE1-CZ2 4.18Å; F150-W185 HydrophobicContact CG-CZ2 4.5Å
151N78.8Confident69.7Low71 Ų7166 Ų6638%0.3836%0.359SS..  trans-72.4122.6-177.9-165.1-0.3000110.2S148 F149S148-N151 VanDerWaalsContact O-CB 3.29Å; S148-N151 WeakPolarHBondContact O-CB 3.1Å; S148-N151 PolarHBondContact O-N 3.23Å; F149-N151 VanDerWaalsContact C-N 3.33Å
152Q66.6Low69.1Low43 Ų4363.2 Ų63.220%0.20135%0.353CS..  trans-96.585.6170.7-59.9-170.48.800107.7F150 L154F150-Q152 PolarHBondContact O-N 2.89Å; Q152-L154 PolarHBondContact O-N 3.24Å
153S52.6Low69.1Low61 Ų6162.7 Ų62.743%0.42735%0.348SS..  trans-70.9114.9178.559.10000111
154L48.9Very low69.3Low137 Ų13764.9 Ų64.972%0.71736%0.358SS*.  trans69148.1166.4-71.7116.9000120.2Q152 T156Q152-L154 PolarHBondContact O-N 3.24Å; L154-T156 PolarHBondContact O-N 3.22Å; L154-T156 VanDerWaalsContact O-N 3.13Å
155P47.2Very low69.7Low105 Ų10563.4 Ų63.468%0.68235%0.353SS*.THydrogen-bonded Turntrans-74.8-0.5-167.3-11.328.7000115.5
156T40.5Very low70Confident130 Ų13063 Ų6380%0.79835%0.351SS*.THydrogen-bonded Turntrans-94.4-0.8-166.944.30000114.5L154L154-T156 PolarHBondContact O-N 3.22Å; L154-T156 VanDerWaalsContact O-N 3.13Å
157S44.4Very low70.5Confident56 Ų5662.1 Ų62.139%0.39235%0.345SS..  trans-96.4125.1174.9-158.50000111.4A159S157-A159 PolarHBondContact O-N 2.92Å; S157-A159 VanDerWaalsContact O-N 3.12Å
158P44.9Very low71.2Confident138 Ų13851.7 Ų51.790%0.89631%0.306SS*.SBendtrans-69.6-5.3-179.928.2-34.5000113.7R160P158-R160 PolarHBondContact O-N 3.49Å
159A51Low71.7Confident53 Ų5351 Ų5144%0.43830%0.298SS..  trans-100.664.7-178.700000111.4S157 I161S157-A159 PolarHBondContact O-N 2.92Å; S157-A159 VanDerWaalsContact O-N 3.12Å; A159-I161 PolarHBondContact O-N 3.23Å
160R62.2Low72.1Confident135 Ų13554.2 Ų54.251%0.50932%0.316SS..  trans-65.2129.2165.1-71.1-175.3-175.8-170.7-4.6108.5P158 G162 E186P158-R160 PolarHBondContact O-N 3.49Å; R160-G162 PolarHBondContact O-N 2.95Å; R160-G162 VanDerWaalsContact O-N 3.15Å; R160-E186 IonicContact CZ-OE1 3.76Å; R160-E186 IonicContact NH1-OE1 3Å; R160-E186 PolarHBondContact NH1-OE1 3.16Å; R160-E186 IonicContact NH1-OE2 3.46Å; R160-E186 PolarHBondContact NH1-OE2 2.97Å
161I69.9Low72.3Confident10 Ų1054.2 Ų54.25%0.05132%0.316CS..  trans-68.8113.9179-65.8166.9000107.9C128 A159 V163 W185C128-I161 VanDerWaalsContact C-CD1 3.42Å; C128-I161 HydrophobicContact CB-CD1 3.66Å; C128-I161 WeakPolarHBondContact O-CD1 3.48Å; C128-I161 WeakPolarHBondContact SG-CD1 3.32Å; A159-I161 PolarHBondContact O-N 3.23Å; I161-V163 HydrophobicContact CG2-CB 3.97Å; I161-V163 HydrophobicContact CG2-CG2 3.31Å; I161-V163 PolarHBondContact O-N 3.47Å; I161-W185 HydrophobicContact CG2-CZ2 4.42Å
162G78.4Confident72.6Confident15 Ų1553.5 Ų53.516%0.15532%0.315CS..  trans-86.235.4-177.700000114.2L135 R160 E164L135-G162 CarbonylContact O-C 3.34Å; R160-G162 PolarHBondContact O-N 2.95Å; R160-G162 VanDerWaalsContact O-N 3.15Å; G162-E164 PolarHBondContact O-N 2.7Å
163V89.3Confident73.5Confident0 Ų052.6 Ų52.60%031%0.313CS..  trans-70.2125.1-176.3172.70000110.3L135 L138 I161 T165 W185 R187 L188L135-V163 HydrophobicContact CD2-CG2 3.5Å; L135-V163 WeakPolarHBondContact O-CG2 3.28Å; L138-V163 HydrophobicContact CB-CG1 4.37Å; I161-V163 HydrophobicContact CG2-CB 3.97Å; I161-V163 HydrophobicContact CG2-CG2 3.31Å; I161-V163 PolarHBondContact O-N 3.47Å; V163-T165 WeakPolarHBondContact CG1-O 3.39Å; V163-W185 HydrophobicContact CB-CE3 3.91Å; V163-W185 HydrophobicContact CB-CH2 4.19Å; V163-W185 HydrophobicContact CB-CZ3 3.59Å; V163-W185 HydrophobicContact CG1-CE3 4.04Å; V163-W185 HydrophobicContact CG1-CH2 4.25Å; V163-W185 HydrophobicContact CG1-CZ3 3.45Å; V163-W185 VanDerWaalsContact CG1-CZ3 3.45Å; V163-W185 HydrophobicContact CG2-CH2 4.37Å; V163-W185 HydrophobicContact CG2-CZ3 4.24Å; V163-R187 CarbonylContact O-C 3.25Å; V163-L188 WeakPolarHBondContact O-CA 3.46Å; V163-L188 PolarHBondContact O-N 3.38Å
164E93.1Very high75.3Confident45 Ų4549.7 Ų49.721%0.2129%0.293CS..  trans-99.2-27.8-178.7-68.3172173.900111.6R136 G162 R187 S189 R190R136-E164 PolarHBondContact O-N 3.28Å; G162-E164 PolarHBondContact O-N 2.7Å; E164-R187 WeakPolarHBondContact CA-O 3.21Å; E164-R187 HydrophobicContact CG-CB 4.25Å; E164-R187 IonicContact OE1-CZ 2.73Å; E164-R187 IonicContact OE1-NE 3.72Å; E164-R187 PolarHBondContact OE1-NE 2.86Å; E164-R187 IonicContact OE1-NH2 3.85Å; E164-R187 PolarHBondContact OE1-NH2 3.21Å; E164-S189 PolarHBondContact O-N 3.12Å; E164-S189 PolarHBondContact O-OG 3.36Å; E164-R190 PolarHBondContact O-N 3.47Å
165T95.4Very high77.2Confident25 Ų2544.9 Ų44.915%0.15327%0.269CS..EExtended strand (participates in β ladder)trans-133.2123.8-179.5-57.90000111.3R136 V137 L138 V163 V167 R190R136-T165 PolarHBondContact O-N 3.46Å; V137-T165 WeakPolarHBondContact CA-O 3.37Å; V137-T165 HydrophobicContact CG1-CG2 4.2Å; L138-T165 PolarHBondContact N-O 3.24Å; V163-T165 WeakPolarHBondContact CG1-O 3.39Å; T165-V167 HydrophobicContact CG2-CG2 4.04Å; T165-R190 WeakPolarHBondContact CA-O 3.46Å; T165-R190 HydrophobicContact CG2-CB 4.05Å; T165-R190 HydrophobicContact CG2-CG 4Å
166L95.3Very high79.3Confident0 Ų041.9 Ų41.90%025%0.247CC..EExtended strand (participates in β ladder)trans-117122.8172.6-179.263.4000109.7L138 F150 L168 L182 W185 L188 R190 L191 E192L138-L166 HydrophobicContact CB-CD1 3.98Å; L138-L166 HydrophobicContact CD2-CD1 3.92Å; L138-L166 HydrophobicContact CG-CD1 4.02Å; L138-L166 WeakPolarHBondContact O-CA 3.33Å; F150-L166 HydrophobicContact CE1-CD1 4.43Å; F150-L166 HydrophobicContact CE1-CD2 4.35Å; F150-L166 HydrophobicContact CZ-CD2 4.43Å; L166-L168 HydrophobicContact CD1-CD2 4.01Å; L166-L168 HydrophobicContact CD1-CG 4.48Å; L166-L168 HydrophobicContact CD2-CD1 4.34Å; L166-L168 HydrophobicContact CD2-CG 4.4Å; L166-L168 HydrophobicContact CG-CD2 4.22Å; L166-L168 HydrophobicContact CG-CG 4.15Å; L166-L182 HydrophobicContact CD2-CD1 3.61Å; L166-L182 HydrophobicContact CD2-CD2 3.66Å; L166-L182 HydrophobicContact CD2-CG 4.3Å; L166-W185 HydrophobicContact CB-CZ3 4.31Å; L166-W185 HydrophobicContact CD1-CZ3 4.44Å; L166-W185 HydrophobicContact CD2-CZ3 4.18Å; L166-L188 HydrophobicContact CB-CD1 3.89Å; L166-R190 PolarHBondContact N-O 2.86Å; L166-L191 HydrophobicContact CB-CD1 3.98Å; L166-L191 HydrophobicContact CD2-CD1 3.84Å; L166-L191 HydrophobicContact CG-CD1 4.07Å; L166-L191 WeakPolarHBondContact O-CA 3.4Å; L166-E192 PolarHBondContact O-N 2.72Å
167V95.8Very high81.5Confident3 Ų340.3 Ų40.32%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-116.3118.2176.2179.50000109.2L138 E139 L140 T165 E192L138-V167 PolarHBondContact O-N 3.03Å; E139-V167 CarbonylContact C-O 3.49Å; E139-V167 WeakPolarHBondContact CA-O 3.45Å; E139-V167 HydrophobicContact CB-CB 4.15Å; E139-V167 HydrophobicContact CG-CB 3.91Å; E139-V167 HydrophobicContact CG-CG2 4.1Å; L140-V167 PolarHBondContact N-O 2.9Å; T165-V167 HydrophobicContact CG2-CG2 4.04Å; V167-E192 HydrophobicContact CB-CB 4.39Å; V167-E192 HydrophobicContact CG1-CB 4.12Å; V167-E192 HydrophobicContact CG2-CB 4.33Å; V167-E192 HydrophobicContact CG2-CG 4.12Å
168L93.9Very high83.6Confident0 Ų037.8 Ų37.80%021%0.213CC..EExtended strand (participates in β ladder)trans-114.2124.3174.7-56.9-179.7000108.5L140 L166 V171 F174 E192 L193 R194 T196L140-L168 HydrophobicContact CB-CD2 3.8Å; L140-L168 HydrophobicContact CD1-CD2 3.74Å; L140-L168 HydrophobicContact CG-CD2 4.1Å; L140-L168 WeakPolarHBondContact O-CA 3.38Å; L166-L168 HydrophobicContact CD1-CD2 4.01Å; L166-L168 HydrophobicContact CD1-CG 4.48Å; L166-L168 HydrophobicContact CD2-CD1 4.34Å; L166-L168 HydrophobicContact CD2-CG 4.4Å; L166-L168 HydrophobicContact CG-CD2 4.22Å; L166-L168 HydrophobicContact CG-CG 4.15Å; L168-V171 HydrophobicContact CB-CG2 4.28Å; L168-V171 HydrophobicContact CD2-CG2 4.39Å; L168-F174 HydrophobicContact CD1-CD1 3.94Å; L168-F174 HydrophobicContact CD1-CD2 3.36Å; L168-F174 HydrophobicContact CD1-CE1 3.91Å; L168-F174 HydrophobicContact CD1-CE2 3.3Å; L168-F174 HydrophobicContact CD1-CG 3.69Å; L168-F174 HydrophobicContact CD1-CZ 3.6Å; L168-E192 PolarHBondContact N-O 2.63Å; L168-L193 HydrophobicContact CB-CD2 4.36Å; L168-L193 HydrophobicContact CD1-CD2 3.72Å; L168-L193 HydrophobicContact CG-CD2 4.36Å; L168-R194 PolarHBondContact O-N 3.41Å; L168-T196 HydrophobicContact CB-CG2 4.19Å
169N92.3Very high85.7Confident40 Ų4031.2 Ų31.221%0.21417%0.17CC..EExtended strand (participates in β ladder)trans-131.2119.1176-175.9-39.8000110L140 R141 G142 V171 R194L140-N169 PolarHBondContact O-N 2.82Å; R141-N169 CarbonylContact C-O 3.58Å; R141-N169 VanDerWaalsContact CA-O 3.23Å; R141-N169 WeakPolarHBondContact CA-O 3.25Å; R141-N169 HydrophobicContact CB-CB 4.31Å; R141-N169 HydrophobicContact CG-CB 3.99Å; R141-N169 PolarHBondContact NH1-ND2 3.4Å; G142-N169 PolarHBondContact N-O 3.28Å; N169-V171 PolarHBondContact O-N 2.88Å; N169-R194 CarbonylContact C-O 3.5Å; N169-R194 VanDerWaalsContact CA-O 3.32Å; N169-R194 WeakPolarHBondContact CA-O 3.5Å; N169-R194 HydrophobicContact CB-CB 4.27Å
170N89.5Confident87.4Confident72 Ų7233.8 Ų33.839%0.38517%0.173SC..SBendtrans51.654.7179.8-172.224.5000111.7G142 P172 R194 D195G142-N170 WeakPolarHBondContact CA-O 3.27Å; G142-N170 PolarHBondContact N-O 3.19Å; N170-P172 WeakPolarHBondContact O-CD 3.48Å; N170-R194 PolarHBondContact N-O 2.89Å; N170-D195 HydrophobicContact CB-CB 4.15Å
171V89.1Confident88.6Confident0 Ų028.6 Ų28.60%016%0.155CC..  trans-106.487.4178.3-1790000107.8L140 C143 L145 L168 N169 S173 F174L140-V171 HydrophobicContact CB-CG2 4.31Å; L140-V171 WeakPolarHBondContact O-CG2 3.38Å; C143-V171 WeakPolarHBondContact O-CG1 3.36Å; L145-V171 HydrophobicContact CD1-CG1 3.72Å; L145-V171 HydrophobicContact CG-CG1 4.17Å; L168-V171 HydrophobicContact CB-CG2 4.28Å; L168-V171 HydrophobicContact CD2-CG2 4.39Å; N169-V171 PolarHBondContact O-N 2.88Å; V171-S173 PolarHBondContact O-N 3.19Å; V171-F174 HydrophobicContact CB-CB 4.25Å; V171-F174 HydrophobicContact CG1-CB 3.89Å; V171-F174 WeakPolarHBondContact O-CB 3.3Å; V171-F174 PolarHBondContact O-N 2.98Å; V171-F174 VanDerWaalsContact O-N 3.1Å
172P83.9Confident89.4Confident56 Ų5628.1 Ų28.136%0.36415%0.153SC..THydrogen-bonded Turntrans-68.6-19.3-170.427.9-36.5000113.4N170 F174 R198N170-P172 WeakPolarHBondContact O-CD 3.48Å; P172-F174 VanDerWaalsContact C-N 3.32Å; P172-R198 WeakPolarHBondContact O-CD 3.32Å; P172-R198 PolarHBondContact O-NE 3.49Å; P172-R198 VanDerWaalsContact O-NE 3.13Å
173S87Confident89.6Confident24 Ų2429.2 Ų29.217%0.16816%0.161CC..THydrogen-bonded Turntrans-80.2-11.3176.460.40000113.5L145 V171 H178L145-S173 PolarHBondContact N-OG 3.27Å; V171-S173 PolarHBondContact O-N 3.19Å; S173-H178 PolarHBondContact O-CE1 3.42Å; S173-H178 PolarHBondContact O-ND1 2.92Å
174F88.8Confident89.1Confident0 Ų031.4 Ų31.40%018%0.176CC..  trans-74.6131.2-179.1-169.6-97000110.4L145 F150 L168 V171 P172 H178 L179 L182 L193 T196 R198 V199L145-F174 HydrophobicContact CD1-CD2 4.28Å; F150-F174 HydrophobicContact CD2-CE2 4.17Å; F150-F174 AromaticContact CE2-CD2 3.84Å; F150-F174 HydrophobicContact CE2-CD2 3.84Å; F150-F174 AromaticContact CE2-CE2 3.6Å; F150-F174 HydrophobicContact CE2-CE2 3.6Å; F150-F174 HydrophobicContact CZ-CE2 4.35Å; L168-F174 HydrophobicContact CD1-CD1 3.94Å; L168-F174 HydrophobicContact CD1-CD2 3.36Å; L168-F174 HydrophobicContact CD1-CE1 3.91Å; L168-F174 HydrophobicContact CD1-CE2 3.3Å; L168-F174 HydrophobicContact CD1-CG 3.69Å; L168-F174 HydrophobicContact CD1-CZ 3.6Å; V171-F174 HydrophobicContact CB-CB 4.25Å; V171-F174 HydrophobicContact CG1-CB 3.89Å; V171-F174 WeakPolarHBondContact O-CB 3.3Å; V171-F174 PolarHBondContact O-N 2.98Å; V171-F174 VanDerWaalsContact O-N 3.1Å; P172-F174 VanDerWaalsContact C-N 3.32Å; F174-H178 HydrophobicContact CD2-CB 3.63Å; F174-H178 HydrophobicContact CE2-CB 3.41Å; F174-H178 VanDerWaalsContact CE2-CB 3.41Å; F174-H178 HydrophobicContact CG-CB 4.34Å; F174-H178 HydrophobicContact CZ-CB 3.96Å; F174-L179 HydrophobicContact CE1-CB 4.39Å; F174-L179 HydrophobicContact CE1-CD1 4.01Å; F174-L179 HydrophobicContact CZ-CB 4.33Å; F174-L179 HydrophobicContact CZ-CD1 4.15Å; F174-L182 HydrophobicContact CE2-CD1 4.34Å; F174-L182 HydrophobicContact CZ-CD1 3.95Å; F174-L193 HydrophobicContact CD1-CD2 4.48Å; F174-L193 HydrophobicContact CE1-CD2 3.89Å; F174-L193 HydrophobicContact CZ-CD2 4.3Å; F174-T196 HydrophobicContact CB-CG2 4.44Å; F174-T196 HydrophobicContact CD1-CG2 4.16Å; F174-R198 WeakPolarHBondContact O-CB 3.23Å; F174-V199 HydrophobicContact CD1-CG2 3.45Å; F174-V199 VanDerWaalsContact CD1-CG2 3.45Å; F174-V199 HydrophobicContact CE1-CG2 3.7Å
175T89.9Confident88.7Confident36 Ų3629.7 Ų29.722%0.22117%0.168CC..BIsolated β-bridgetrans-138.4170-169.960.60000110.8Q177 H178 L179 R198T175-Q177 PolarHBondContact O-N 3.3Å; T175-Q177 VanDerWaalsContact O-N 3.17Å; T175-H178 PolarHBondContact N-ND1 2.81Å; T175-H178 WeakPolarHBondContact O-CA 3.46Å; T175-H178 VanDerWaalsContact O-CB 3.3Å; T175-H178 WeakPolarHBondContact O-CB 3.28Å; T175-H178 PolarHBondContact O-N 2.69Å; T175-H178 PolarHBondContact OG1-ND1 3.42Å; T175-L179 PolarHBondContact O-N 3.18Å; T175-R198 HydrophobicContact CG2-CB 4.02Å
176D89.9Confident88Confident42 Ų4233.8 Ų33.823%0.22519%0.185CC..Hα-helixtrans-52.4-36.5176-64-16000113.9H178 L179 Q180 V199 T200D176-H178 VanDerWaalsContact C-N 3.3Å; D176-H178 PolarHBondContact O-N 2.96Å; D176-L179 WeakPolarHBondContact O-CB 3.23Å; D176-L179 PolarHBondContact O-N 3.2Å; D176-Q180 PolarHBondContact O-N 3.26Å; D176-V199 WeakPolarHBondContact OD1-CA 3.42Å; D176-T200 PolarHBondContact OD1-N 2.73Å; D176-T200 WeakPolarHBondContact OD2-CB 3.49Å; D176-T200 VanDerWaalsContact OD2-CG2 3.31Å; D176-T200 WeakPolarHBondContact OD2-CG2 3.23Å; D176-T200 PolarHBondContact OD2-OG1 3.11Å
177Q88Confident87.6Confident97 Ų9740.1 Ų40.145%0.45321%0.209SC..Hα-helixtrans-63.2-38.3176.5-17161.264.700112.1T175 L179 Q180 N181T175-Q177 PolarHBondContact O-N 3.3Å; T175-Q177 VanDerWaalsContact O-N 3.17Å; Q177-L179 VanDerWaalsContact C-N 3.33Å; Q177-Q180 PolarHBondContact O-N 3.24Å; Q177-N181 PolarHBondContact NE2-OD1 3.23Å; Q177-N181 PolarHBondContact O-N 3.07Å; Q177-N181 PolarHBondContact O-ND2 3.09Å; Q177-N181 PolarHBondContact O-OD1 2.96Å
178H89Confident87.4Confident3 Ų340 Ų401%0.01421%0.209CC..Hα-helixtrans-65.6-41.6175.6-63.9108.9000110.8P146 R147 F150 S173 F174 T175 D176 Q180 N181 L182P146-H178 PolarHBondContact O-NE2 3.29Å; R147-H178 VanDerWaalsContact CA-NE2 3.35Å; R147-H178 WeakPolarHBondContact CA-NE2 3.19Å; R147-H178 PolarHBondContact O-CD2 2.93Å; R147-H178 PolarHBondContact O-NE2 3.35Å; F150-H178 HydrophobicContact CD2-CB 3.89Å; F150-H178 AromaticContact CD2-CD2 3.86Å; F150-H178 HydrophobicContact CE2-CB 4.25Å; S173-H178 PolarHBondContact O-CE1 3.42Å; S173-H178 PolarHBondContact O-ND1 2.92Å; F174-H178 HydrophobicContact CD2-CB 3.63Å; F174-H178 HydrophobicContact CE2-CB 3.41Å; F174-H178 VanDerWaalsContact CE2-CB 3.41Å; F174-H178 HydrophobicContact CG-CB 4.34Å; F174-H178 HydrophobicContact CZ-CB 3.96Å; T175-H178 PolarHBondContact N-ND1 2.81Å; T175-H178 WeakPolarHBondContact O-CA 3.46Å; T175-H178 VanDerWaalsContact O-CB 3.3Å; T175-H178 WeakPolarHBondContact O-CB 3.28Å; T175-H178 PolarHBondContact O-N 2.69Å; T175-H178 PolarHBondContact OG1-ND1 3.42Å; D176-H178 VanDerWaalsContact C-N 3.3Å; D176-H178 PolarHBondContact O-N 2.96Å; H178-Q180 VanDerWaalsContact C-N 3.32Å; H178-Q180 PolarHBondContact O-N 2.91Å; H178-N181 WeakPolarHBondContact O-CB 3.45Å; H178-N181 PolarHBondContact O-N 2.8Å; H178-L182 WeakPolarHBondContact O-CG 3.36Å; H178-L182 PolarHBondContact O-N 3.41Å; H178-L182 VanDerWaalsContact O-N 3.14Å
179L88.4Confident87.3Confident0 Ų041.9 Ų41.90%022%0.222CC..Hα-helixtrans-59.7-43.6175.7-162.294.4000111.1F174 T175 D176 Q177 N181 L182 L191 L193 G203 L204 C207F174-L179 HydrophobicContact CE1-CB 4.39Å; F174-L179 HydrophobicContact CE1-CD1 4.01Å; F174-L179 HydrophobicContact CZ-CB 4.33Å; F174-L179 HydrophobicContact CZ-CD1 4.15Å; T175-L179 PolarHBondContact O-N 3.18Å; D176-L179 WeakPolarHBondContact O-CB 3.23Å; D176-L179 PolarHBondContact O-N 3.2Å; Q177-L179 VanDerWaalsContact C-N 3.33Å; L179-N181 VanDerWaalsContact C-N 3.31Å; L179-N181 PolarHBondContact O-N 2.96Å; L179-L182 WeakPolarHBondContact O-CB 3.32Å; L179-L182 PolarHBondContact O-N 3.47Å; L179-L182 VanDerWaalsContact O-N 3.07Å; L179-L191 HydrophobicContact CD1-CD2 4.29Å; L179-L193 HydrophobicContact CD1-CD1 3.89Å; L179-G203 VanDerWaalsContact CD2-O 3.25Å; L179-G203 WeakPolarHBondContact CD2-O 3.36Å; L179-L204 HydrophobicContact CD1-CD2 4.34Å; L179-L204 HydrophobicContact CD2-CB 4.47Å; L179-L204 HydrophobicContact CD2-CD2 3.93Å; L179-L204 HydrophobicContact CD2-CG 4.06Å; L179-C207 HydrophobicContact CD2-CB 3.74Å; L179-C207 WeakPolarHBondContact CD2-SG 3.44Å; L179-C207 HydrophobicContact CG-CB 4.16Å; L179-C207 PolarHBondContact O-SG 3.17Å
180Q87.2Confident87.4Confident107 Ų10743.3 Ų43.350%0.522%0.224SC..Hα-helixtrans-61.5-39.5175.8-169.7-179.918.500111.9D176 Q177 H178 L182 A183 C207D176-Q180 PolarHBondContact O-N 3.26Å; Q177-Q180 PolarHBondContact O-N 3.24Å; H178-Q180 VanDerWaalsContact C-N 3.32Å; H178-Q180 PolarHBondContact O-N 2.91Å; Q180-L182 PolarHBondContact O-N 3.04Å; Q180-A183 WeakPolarHBondContact O-CB 3.49Å; Q180-A183 PolarHBondContact O-N 3.36Å; Q180-A183 VanDerWaalsContact O-N 3.08Å; Q180-C207 WeakPolarHBondContact CA-SG 3.48Å; Q180-C207 PolarHBondContact N-SG 3.5Å; Q180-C207 VanDerWaalsContact N-SG 3.42Å
181N85.9Confident87.7Confident25 Ų2539.9 Ų39.913%0.13421%0.206CC..Hα-helixtrans-64.8-29.3176.5-63.4-17000112.1F150 Q177 H178 L179 A183 S184F150-N181 HydrophobicContact CB-CB 3.92Å; Q177-N181 PolarHBondContact NE2-OD1 3.23Å; Q177-N181 PolarHBondContact O-N 3.07Å; Q177-N181 PolarHBondContact O-ND2 3.09Å; Q177-N181 PolarHBondContact O-OD1 2.96Å; H178-N181 WeakPolarHBondContact O-CB 3.45Å; H178-N181 PolarHBondContact O-N 2.8Å; L179-N181 VanDerWaalsContact C-N 3.31Å; L179-N181 PolarHBondContact O-N 2.96Å; N181-A183 PolarHBondContact O-N 3.18Å; N181-S184 WeakPolarHBondContact O-CB 3.19Å; N181-S184 PolarHBondContact O-N 3.04Å; N181-S184 PolarHBondContact O-OG 3.45Å
182L86.6Confident88Confident0 Ų040.5 Ų40.50%021%0.208CC..Hα-helixtrans-66.9-18.8174.6-62176.2000113F150 L166 F174 H178 L179 Q180 S184 W185 L188 L191 L219F150-L182 HydrophobicContact CB-CD2 4.09Å; F150-L182 HydrophobicContact CD1-CD2 3.82Å; F150-L182 HydrophobicContact CD2-CD2 4.37Å; F150-L182 HydrophobicContact CE1-CD2 4.32Å; F150-L182 HydrophobicContact CG-CD2 3.84Å; L166-L182 HydrophobicContact CD2-CD1 3.61Å; L166-L182 HydrophobicContact CD2-CD2 3.66Å; L166-L182 HydrophobicContact CD2-CG 4.3Å; F174-L182 HydrophobicContact CE2-CD1 4.34Å; F174-L182 HydrophobicContact CZ-CD1 3.95Å; H178-L182 WeakPolarHBondContact O-CG 3.36Å; H178-L182 PolarHBondContact O-N 3.41Å; H178-L182 VanDerWaalsContact O-N 3.14Å; L179-L182 WeakPolarHBondContact O-CB 3.32Å; L179-L182 PolarHBondContact O-N 3.47Å; L179-L182 VanDerWaalsContact O-N 3.07Å; Q180-L182 PolarHBondContact O-N 3.04Å; L182-S184 PolarHBondContact O-N 3.28Å; L182-S184 VanDerWaalsContact O-N 3.16Å; L182-W185 HydrophobicContact CD2-CD2 3.84Å; L182-W185 HydrophobicContact CD2-CE3 3.93Å; L182-W185 HydrophobicContact CD2-CG 4.47Å; L182-W185 HydrophobicContact CD2-CH2 4.13Å; L182-W185 HydrophobicContact CD2-CZ2 4.07Å; L182-W185 HydrophobicContact CD2-CZ3 4.04Å; L182-W185 VanDerWaalsContact O-CB 3.28Å; L182-W185 WeakPolarHBondContact O-CB 3.26Å; L182-W185 PolarHBondContact O-N 3.38Å; L182-L188 HydrophobicContact CB-CD2 4.4Å; L182-L191 HydrophobicContact CD1-CD1 4.18Å; L182-L219 HydrophobicContact CB-CD2 4.43Å; L182-L219 WeakPolarHBondContact O-CD2 3.4Å
183A82.7Confident88.4Confident38 Ų3837.9 Ų37.931%0.31419%0.191SC..THydrogen-bonded Turntrans-60.7-22.7173.400000112.6Q180 N181 W185Q180-A183 WeakPolarHBondContact O-CB 3.49Å; Q180-A183 PolarHBondContact O-N 3.36Å; Q180-A183 VanDerWaalsContact O-N 3.08Å; N181-A183 PolarHBondContact O-N 3.18Å; A183-W185 PolarHBondContact O-N 3.2Å
184S80.4Confident88.6Confident47 Ų4739.7 Ų39.733%0.32919%0.194SC..THydrogen-bonded Turntrans-73-9.117367.80000113.9N181 L182 E186N181-S184 WeakPolarHBondContact O-CB 3.19Å; N181-S184 PolarHBondContact O-N 3.04Å; N181-S184 PolarHBondContact O-OG 3.45Å; L182-S184 PolarHBondContact O-N 3.28Å; L182-S184 VanDerWaalsContact O-N 3.16Å; S184-E186 PolarHBondContact O-N 2.93Å
185W84Confident88.5Confident8 Ų840.5 Ų40.53%0.0320%0.199CC..  trans-88.389.5-175.7-69.321.5000111.4L138 F150 I161 V163 L166 L182 A183 R187 L188L138-W185 HydrophobicContact CD2-CH2 4.4Å; F150-W185 AromaticContact CD1-CH2 3.84Å; F150-W185 HydrophobicContact CD1-CH2 3.84Å; F150-W185 AromaticContact CD1-CZ2 3.53Å; F150-W185 HydrophobicContact CD1-CZ2 3.53Å; F150-W185 HydrophobicContact CE1-CH2 4.01Å; F150-W185 HydrophobicContact CE1-CZ2 4.18Å; F150-W185 HydrophobicContact CG-CZ2 4.5Å; I161-W185 HydrophobicContact CG2-CZ2 4.42Å; V163-W185 HydrophobicContact CB-CE3 3.91Å; V163-W185 HydrophobicContact CB-CH2 4.19Å; V163-W185 HydrophobicContact CB-CZ3 3.59Å; V163-W185 HydrophobicContact CG1-CE3 4.04Å; V163-W185 HydrophobicContact CG1-CH2 4.25Å; V163-W185 HydrophobicContact CG1-CZ3 3.45Å; V163-W185 VanDerWaalsContact CG1-CZ3 3.45Å; V163-W185 HydrophobicContact CG2-CH2 4.37Å; V163-W185 HydrophobicContact CG2-CZ3 4.24Å; L166-W185 HydrophobicContact CB-CZ3 4.31Å; L166-W185 HydrophobicContact CD1-CZ3 4.44Å; L166-W185 HydrophobicContact CD2-CZ3 4.18Å; L182-W185 HydrophobicContact CD2-CD2 3.84Å; L182-W185 HydrophobicContact CD2-CE3 3.93Å; L182-W185 HydrophobicContact CD2-CG 4.47Å; L182-W185 HydrophobicContact CD2-CH2 4.13Å; L182-W185 HydrophobicContact CD2-CZ2 4.07Å; L182-W185 HydrophobicContact CD2-CZ3 4.04Å; L182-W185 VanDerWaalsContact O-CB 3.28Å; L182-W185 WeakPolarHBondContact O-CB 3.26Å; L182-W185 PolarHBondContact O-N 3.38Å; A183-W185 PolarHBondContact O-N 3.2Å; W185-R187 PolarHBondContact O-N 3Å; W185-L188 HydrophobicContact CB-CB 3.98Å; W185-L188 HydrophobicContact CE3-CB 4.46Å; W185-L188 HydrophobicContact CE3-CD1 4.19Å; W185-L188 HydrophobicContact CE3-CD2 4.27Å; W185-L188 PolarHBondContact O-N 3.01Å
186E81Confident88.3Confident112 Ų11239.1 Ų39.152%0.52319%0.19SC..THydrogen-bonded Turntrans-63.5-10.4-176-62.6174.9168.500115.3R160 S184 R221R160-E186 IonicContact CZ-OE1 3.76Å; R160-E186 IonicContact NH1-OE1 3Å; R160-E186 PolarHBondContact NH1-OE1 3.16Å; R160-E186 IonicContact NH1-OE2 3.46Å; R160-E186 PolarHBondContact NH1-OE2 2.97Å; S184-E186 PolarHBondContact O-N 2.93Å; E186-R221 WeakPolarHBondContact O-CD 3.34Å; E186-R221 PolarHBondContact O-NH1 3.26Å
187R86.4Confident88Confident132 Ų13238.9 Ų38.950%0.49819%0.187SC..THydrogen-bonded Turntrans-111.8-3.6-179.3-62-170.969.491.83.3113.7V163 E164 W185 S189V163-R187 CarbonylContact O-C 3.25Å; E164-R187 WeakPolarHBondContact CA-O 3.21Å; E164-R187 HydrophobicContact CG-CB 4.25Å; E164-R187 IonicContact OE1-CZ 2.73Å; E164-R187 IonicContact OE1-NE 3.72Å; E164-R187 PolarHBondContact OE1-NE 2.86Å; E164-R187 IonicContact OE1-NH2 3.85Å; E164-R187 PolarHBondContact OE1-NH2 3.21Å; W185-R187 PolarHBondContact O-N 3Å; R187-S189 PolarHBondContact O-N 3.22Å; R187-S189 VanDerWaalsContact O-N 3.15Å
188L90.7Very high87.9Confident2 Ų241.3 Ų41.31%0.0119%0.193CC..  trans-68115.3-175.6-173.364000110.1V163 L166 L182 W185 R190 L219 R221 L222V163-L188 WeakPolarHBondContact O-CA 3.46Å; V163-L188 PolarHBondContact O-N 3.38Å; L166-L188 HydrophobicContact CB-CD1 3.89Å; L182-L188 HydrophobicContact CB-CD2 4.4Å; W185-L188 HydrophobicContact CB-CB 3.98Å; W185-L188 HydrophobicContact CE3-CB 4.46Å; W185-L188 HydrophobicContact CE3-CD1 4.19Å; W185-L188 HydrophobicContact CE3-CD2 4.27Å; W185-L188 PolarHBondContact O-N 3.01Å; L188-R190 WeakPolarHBondContact CD1-O 3.38Å; L188-L219 HydrophobicContact CD2-CD2 4.02Å; L188-R221 CarbonylContact O-C 3.49Å; L188-L222 HydrophobicContact CG-CD1 4.17Å
189S92.4Very high87.8Confident39 Ų3941.3 Ų41.327%0.27319%0.192SC..  trans-112.3-25-178.1660000112.8E164 R187 R221 K223 Y224E164-S189 PolarHBondContact O-N 3.12Å; E164-S189 PolarHBondContact O-OG 3.36Å; R187-S189 PolarHBondContact O-N 3.22Å; R187-S189 VanDerWaalsContact O-N 3.15Å; S189-R221 WeakPolarHBondContact CA-O 3.21Å; S189-K223 PolarHBondContact O-N 3.21Å; S189-Y224 PolarHBondContact O-N 3.18Å
190R95.6Very high87.8Confident69 Ų6943 Ų4326%0.2620%0.203SC..EExtended strand (participates in β ladder)trans-134.7121.6-176-175.4152.5-167.7-77.4-5.3111.1E164 T165 L166 L188 E192 Y224E164-R190 PolarHBondContact O-N 3.47Å; T165-R190 WeakPolarHBondContact CA-O 3.46Å; T165-R190 HydrophobicContact CG2-CB 4.05Å; T165-R190 HydrophobicContact CG2-CG 4Å; L166-R190 PolarHBondContact N-O 2.86Å; L188-R190 WeakPolarHBondContact CD1-O 3.38Å; R190-E192 IonicContact CZ-OE1 3.96Å; R190-E192 IonicContact NH1-OE1 3.98Å; R190-E192 PolarHBondContact NH1-OE1 2.83Å; R190-E192 IonicContact NH2-OE1 2.71Å; R190-E192 PolarHBondContact NH2-OE1 3.48Å; R190-Y224 WeakPolarHBondContact CA-O 3.32Å; R190-Y224 HydrophobicContact CG-CD1 3.51Å; R190-Y224 HydrophobicContact CG-CE1 4.29Å; R190-Y224 HydrophobicContact CG-CG 3.85Å; R190-Y224 VanDerWaalsContact NE-CD1 3.33Å; R190-Y224 VanDerWaalsContact NH2-CE1 3.29Å; R190-Y224 PolarHBondContact NH2-OH 3.14Å
191L95.3Very high87.8Confident0 Ų038.3 Ų38.30%018%0.183CC..EExtended strand (participates in β ladder)trans-126120.6179.6179.461000109.8L166 L179 L182 L193 L219 L222 Y224 L225 E226L166-L191 HydrophobicContact CB-CD1 3.98Å; L166-L191 HydrophobicContact CD2-CD1 3.84Å; L166-L191 HydrophobicContact CG-CD1 4.07Å; L166-L191 WeakPolarHBondContact O-CA 3.4Å; L179-L191 HydrophobicContact CD1-CD2 4.29Å; L182-L191 HydrophobicContact CD1-CD1 4.18Å; L191-L193 HydrophobicContact CD1-CD2 3.88Å; L191-L193 HydrophobicContact CD1-CG 4.37Å; L191-L193 HydrophobicContact CD2-CD1 4.23Å; L191-L193 HydrophobicContact CD2-CD2 4.39Å; L191-L193 HydrophobicContact CD2-CG 4.29Å; L191-L193 HydrophobicContact CG-CD2 4.1Å; L191-L193 HydrophobicContact CG-CG 4.04Å; L191-L219 HydrophobicContact CD2-CD1 4.34Å; L191-L222 HydrophobicContact CB-CD1 3.68Å; L191-L222 HydrophobicContact CB-CD2 4.24Å; L191-Y224 PolarHBondContact N-O 2.71Å; L191-L225 HydrophobicContact CB-CD1 4.11Å; L191-L225 HydrophobicContact CD2-CD1 4Å; L191-L225 HydrophobicContact CG-CD1 4.08Å; L191-L225 CarbonylContact O-C 3.56Å; L191-L225 WeakPolarHBondContact O-CA 3.4Å; L191-E226 PolarHBondContact O-N 3.47Å
192E95.1Very high87.9Confident13 Ų1341.8 Ų41.86%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-110.6123.6170.4-57.7-173.6-159.800110.9L166 V167 L168 R190 R194 Y224 E226L166-E192 PolarHBondContact O-N 2.72Å; V167-E192 HydrophobicContact CB-CB 4.39Å; V167-E192 HydrophobicContact CG1-CB 4.12Å; V167-E192 HydrophobicContact CG2-CB 4.33Å; V167-E192 HydrophobicContact CG2-CG 4.12Å; L168-E192 PolarHBondContact N-O 2.63Å; R190-E192 IonicContact CZ-OE1 3.96Å; R190-E192 IonicContact NH1-OE1 3.98Å; R190-E192 PolarHBondContact NH1-OE1 2.83Å; R190-E192 IonicContact NH2-OE1 2.71Å; R190-E192 PolarHBondContact NH2-OE1 3.48Å; E192-R194 IonicContact OE2-CZ 3.99Å; E192-R194 IonicContact OE2-NE 3.76Å; E192-R194 PolarHBondContact OE2-NE 3.24Å; E192-R194 IonicContact OE2-NH2 3.94Å; E192-R194 PolarHBondContact OE2-NH2 3.05Å; E192-Y224 HydrophobicContact CG-CE1 4Å; E192-E226 HydrophobicContact CB-CB 4.18Å; E192-E226 HydrophobicContact CG-CB 4.05Å
193L93.3Very high87.9Confident1 Ų142 Ų421%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-118.386.3177.3-58.2-179.5000109L168 F174 L179 L191 T196 L204 E226 I227 G228L168-L193 HydrophobicContact CB-CD2 4.36Å; L168-L193 HydrophobicContact CD1-CD2 3.72Å; L168-L193 HydrophobicContact CG-CD2 4.36Å; F174-L193 HydrophobicContact CD1-CD2 4.48Å; F174-L193 HydrophobicContact CE1-CD2 3.89Å; F174-L193 HydrophobicContact CZ-CD2 4.3Å; L179-L193 HydrophobicContact CD1-CD1 3.89Å; L191-L193 HydrophobicContact CD1-CD2 3.88Å; L191-L193 HydrophobicContact CD1-CG 4.37Å; L191-L193 HydrophobicContact CD2-CD1 4.23Å; L191-L193 HydrophobicContact CD2-CD2 4.39Å; L191-L193 HydrophobicContact CD2-CG 4.29Å; L191-L193 HydrophobicContact CG-CD2 4.1Å; L191-L193 HydrophobicContact CG-CG 4.04Å; L193-T196 HydrophobicContact CB-CG2 4.38Å; L193-T196 HydrophobicContact CD2-CG2 4.4Å; L193-L204 HydrophobicContact CD1-CD2 4.45Å; L193-E226 WeakPolarHBondContact CB-O 3.43Å; L193-E226 PolarHBondContact N-O 2.91Å; L193-I227 WeakPolarHBondContact O-CA 3.34Å; L193-G228 PolarHBondContact O-N 3.19Å
194R90.6Very high88.2Confident62 Ų6240.2 Ų40.223%0.23419%0.188CC..EExtended strand (participates in β ladder)trans-100.5127175.9-57.9176.2-171.2-108.11.9109.6L168 N169 N170 E192 T196 E226 G228 W280L168-R194 PolarHBondContact O-N 3.41Å; N169-R194 CarbonylContact C-O 3.5Å; N169-R194 VanDerWaalsContact CA-O 3.32Å; N169-R194 WeakPolarHBondContact CA-O 3.5Å; N169-R194 HydrophobicContact CB-CB 4.27Å; N170-R194 PolarHBondContact N-O 2.89Å; E192-R194 IonicContact OE2-CZ 3.99Å; E192-R194 IonicContact OE2-NE 3.76Å; E192-R194 PolarHBondContact OE2-NE 3.24Å; E192-R194 IonicContact OE2-NH2 3.94Å; E192-R194 PolarHBondContact OE2-NH2 3.05Å; R194-T196 VanDerWaalsContact C-N 3.28Å; R194-T196 PolarHBondContact O-N 3.04Å; R194-E226 VanDerWaalsContact CZ-CD 3.44Å; R194-E226 IonicContact CZ-OE1 3.57Å; R194-E226 IonicContact CZ-OE2 2.7Å; R194-E226 IonicContact NE-OE1 2.86Å; R194-E226 PolarHBondContact NE-OE1 3.39Å; R194-E226 VanDerWaalsContact NE-OE1 3.08Å; R194-E226 IonicContact NE-OE2 3.12Å; R194-E226 IonicContact NH1-OE1 3.48Å; R194-E226 PolarHBondContact NH1-OE1 2.83Å; R194-E226 IonicContact NH2-OE1 3.47Å; R194-E226 PolarHBondContact NH2-OE1 3.4Å; R194-E226 IonicContact NH2-OE2 2.7Å; R194-E226 PolarHBondContact NH2-OE2 3.07Å; R194-G228 CarbonylContact C-O 3.57Å; R194-G228 WeakPolarHBondContact CA-O 3.13Å; R194-W280 HydrophobicContact CG-CH2 4.35Å; R194-W280 HydrophobicContact CG-CZ2 4.38Å
195D87.3Confident88.5Confident17 Ų1742 Ų429%0.09119%0.188CC..SBendtrans52.842.1177.8-61.3-55.6000113.4N170 F197 G228 I229 T230 G231N170-D195 HydrophobicContact CB-CB 4.15Å; D195-F197 HydrophobicContact CB-CE1 4.4Å; D195-F197 HydrophobicContact CB-CE2 4.03Å; D195-F197 HydrophobicContact CB-CZ 3.72Å; D195-F197 VanDerWaalsContact O-CD2 3.32Å; D195-F197 WeakPolarHBondContact O-CD2 3.48Å; D195-F197 WeakPolarHBondContact O-CE2 3.4Å; D195-F197 PolarHBondContact O-N 3.04Å; D195-G228 PolarHBondContact N-O 3.41Å; D195-I229 WeakPolarHBondContact OD1-CA 3.38Å; D195-T230 PolarHBondContact OD1-N 3.09Å; D195-T230 PolarHBondContact OD2-OG1 2.71Å; D195-G231 PolarHBondContact OD1-N 3.13Å; D195-G231 VanDerWaalsContact OD1-N 3.09Å
196T84.9Confident88.5Confident7 Ų745.4 Ų45.44%0.04321%0.213CC..  trans-94.983.9174.154.70000110.7L168 F174 L193 R194 R198 V199L168-T196 HydrophobicContact CB-CG2 4.19Å; F174-T196 HydrophobicContact CB-CG2 4.44Å; F174-T196 HydrophobicContact CD1-CG2 4.16Å; L193-T196 HydrophobicContact CB-CG2 4.38Å; L193-T196 HydrophobicContact CD2-CG2 4.4Å; R194-T196 VanDerWaalsContact C-N 3.28Å; R194-T196 PolarHBondContact O-N 3.04Å; T196-R198 VanDerWaalsContact C-N 3.3Å; T196-R198 PolarHBondContact O-N 3.48Å; T196-V199 PolarHBondContact O-N 2.57Å
197F83.2Confident88.7Confident37 Ų3740.1 Ų40.116%0.16219%0.188CC..THydrogen-bonded Turntrans-70.2-13.7-167.2-52-77.6000116.6D195 I229 Y235 Q238D195-F197 HydrophobicContact CB-CE1 4.4Å; D195-F197 HydrophobicContact CB-CE2 4.03Å; D195-F197 HydrophobicContact CB-CZ 3.72Å; D195-F197 VanDerWaalsContact O-CD2 3.32Å; D195-F197 WeakPolarHBondContact O-CD2 3.48Å; D195-F197 WeakPolarHBondContact O-CE2 3.4Å; D195-F197 PolarHBondContact O-N 3.04Å; F197-I229 HydrophobicContact CD1-CG2 4.15Å; F197-I229 HydrophobicContact CE1-CG2 3.74Å; F197-Y235 HydrophobicContact CD1-CD2 4.27Å; F197-Y235 HydrophobicContact CD1-CG 4.31Å; F197-Y235 HydrophobicContact CE1-CD2 4.35Å; F197-Q238 VanDerWaalsContact O-CD 3.27Å; F197-Q238 PolarHBondContact O-OE1 3.33Å
198R85.2Confident88.4Confident149 Ų14933.9 Ų33.956%0.56217%0.165SC*.BIsolated β-bridgetrans-105.39.3-178.6-50.8-177.9172.7-156.3-4.5113.8P172 F174 T175 T196 Q238P172-R198 WeakPolarHBondContact O-CD 3.32Å; P172-R198 PolarHBondContact O-NE 3.49Å; P172-R198 VanDerWaalsContact O-NE 3.13Å; F174-R198 WeakPolarHBondContact O-CB 3.23Å; T175-R198 HydrophobicContact CG2-CB 4.02Å; T196-R198 VanDerWaalsContact C-N 3.3Å; T196-R198 PolarHBondContact O-N 3.48Å; R198-Q238 PolarHBondContact O-OE1 2.66Å
199V87.6Confident87.7Confident2 Ų234 Ų341%0.01217%0.166CC..  trans-87.4121.7173.5179.50000107.9F174 D176 T196 L204 Q238 A240F174-V199 HydrophobicContact CD1-CG2 3.45Å; F174-V199 VanDerWaalsContact CD1-CG2 3.45Å; F174-V199 HydrophobicContact CE1-CG2 3.7Å; D176-V199 WeakPolarHBondContact OD1-CA 3.42Å; T196-V199 PolarHBondContact O-N 2.57Å; V199-L204 HydrophobicContact CG1-CD1 4.27Å; V199-L204 HydrophobicContact CG1-CG 4.18Å; V199-Q238 PolarHBondContact O-OE1 3.21Å; V199-Q238 VanDerWaalsContact O-OE1 3.09Å; V199-A240 HydrophobicContact CG1-CB 4.31Å; V199-A240 WeakPolarHBondContact O-CB 3.46Å
200T89.2Confident86.6Confident37 Ų3736.8 Ų36.823%0.22717%0.173CC..  trans-97.6164.7178.876.60000111.3D176 N202 G203 L204D176-T200 PolarHBondContact OD1-N 2.73Å; D176-T200 WeakPolarHBondContact OD2-CB 3.49Å; D176-T200 VanDerWaalsContact OD2-CG2 3.31Å; D176-T200 WeakPolarHBondContact OD2-CG2 3.23Å; D176-T200 PolarHBondContact OD2-OG1 3.11Å; T200-N202 PolarHBondContact O-N 2.81Å; T200-N202 PolarHBondContact OG1-N 3.43Å; T200-G203 PolarHBondContact O-N 3.47Å; T200-G203 PolarHBondContact OG1-N 2.89Å; T200-G203 VanDerWaalsContact OG1-N 3.14Å; T200-L204 PolarHBondContact O-N 2.82Å
201A87.8Confident84.9Confident8 Ų841.4 Ų41.47%0.06620%0.198CC..Hα-helixtrans-58.4-33.717000000112.5L204 R205 A240 L242 G243A201-L204 PolarHBondContact O-N 2.87Å; A201-R205 VanDerWaalsContact O-CG 3.32Å; A201-R205 WeakPolarHBondContact O-CG 3.19Å; A201-R205 PolarHBondContact O-N 2.88Å; A201-A240 WeakPolarHBondContact CA-O 3.36Å; A201-L242 HydrophobicContact CB-CB 3.9Å; A201-G243 WeakPolarHBondContact O-CA 3.42Å
202N86.8Confident83.3Confident98 Ų9842.9 Ų42.952%0.52421%0.213SC..Hα-helixtrans-67.1-40.9176.6-76.7-21000111.6T200 L204 R205 S206T200-N202 PolarHBondContact O-N 2.81Å; T200-N202 PolarHBondContact OG1-N 3.43Å; N202-L204 PolarHBondContact O-N 3.4Å; N202-R205 PolarHBondContact O-N 3.48Å; N202-R205 PolarHBondContact OD1-NE 3.08Å; N202-R205 PolarHBondContact OD1-NH2 2.96Å; N202-S206 WeakPolarHBondContact O-CB 3.42Å; N202-S206 PolarHBondContact O-N 2.78Å; N202-S206 PolarHBondContact O-OG 2.94Å
203G86.4Confident81Confident4 Ų451.8 Ų51.84%0.04126%0.26CS..Hα-helixtrans-54.2-52.4174.300000111.5L179 T200 R205 S206 C207L179-G203 VanDerWaalsContact CD2-O 3.25Å; L179-G203 WeakPolarHBondContact CD2-O 3.36Å; T200-G203 PolarHBondContact O-N 3.47Å; T200-G203 PolarHBondContact OG1-N 2.89Å; T200-G203 VanDerWaalsContact OG1-N 3.14Å; G203-R205 PolarHBondContact O-N 3.42Å; G203-S206 PolarHBondContact O-N 3.16Å; G203-C207 PolarHBondContact O-N 3.28Å; G203-C207 PolarHBondContact O-SG 3.41Å
204L88.4Confident79.1Confident0 Ų056.1 Ų56.10%029%0.29CS..Hα-helixtrans-62.6-40.9178.1-80164.3000112.9L179 L193 V199 T200 A201 N202 S206 C207 A208 I227 A240 W248L179-L204 HydrophobicContact CD1-CD2 4.34Å; L179-L204 HydrophobicContact CD2-CB 4.47Å; L179-L204 HydrophobicContact CD2-CD2 3.93Å; L179-L204 HydrophobicContact CD2-CG 4.06Å; L193-L204 HydrophobicContact CD1-CD2 4.45Å; V199-L204 HydrophobicContact CG1-CD1 4.27Å; V199-L204 HydrophobicContact CG1-CG 4.18Å; T200-L204 PolarHBondContact O-N 2.82Å; A201-L204 PolarHBondContact O-N 2.87Å; N202-L204 PolarHBondContact O-N 3.4Å; L204-S206 VanDerWaalsContact C-N 3.26Å; L204-S206 PolarHBondContact O-N 3.33Å; L204-C207 PolarHBondContact O-N 3.21Å; L204-A208 PolarHBondContact O-N 3.09Å; L204-I227 HydrophobicContact CD1-CD1 3.61Å; L204-I227 HydrophobicContact CD2-CD1 4.33Å; L204-A240 HydrophobicContact CD1-CB 3.81Å; L204-A240 WeakPolarHBondContact CD1-O 3.45Å; L204-W248 HydrophobicContact CB-CZ2 4.38Å; L204-W248 HydrophobicContact CD2-CH2 4.04Å; L204-W248 HydrophobicContact CD2-CZ2 3.72Å
205R87.4Confident77.7Confident85 Ų8555 Ų5532%0.32130%0.298SS..Hα-helixtrans-62.5-32.7175.1-73.7-172.3-83-89.24.1113.5A201 N202 G203 C207 K210 L242 A246A201-R205 VanDerWaalsContact O-CG 3.32Å; A201-R205 WeakPolarHBondContact O-CG 3.19Å; A201-R205 PolarHBondContact O-N 2.88Å; N202-R205 PolarHBondContact O-N 3.48Å; N202-R205 PolarHBondContact OD1-NE 3.08Å; N202-R205 PolarHBondContact OD1-NH2 2.96Å; G203-R205 PolarHBondContact O-N 3.42Å; R205-C207 VanDerWaalsContact C-N 3.34Å; R205-K210 VanDerWaalsContact O-CE 3.28Å; R205-K210 WeakPolarHBondContact O-CE 3.34Å; R205-K210 PolarHBondContact O-NZ 3.03Å; R205-L242 PolarHBondContact NH1-O 3.16Å; R205-A246 HydrophobicContact CB-CB 4.12Å; R205-A246 HydrophobicContact CG-CB 3.96Å
206S84.4Confident76.5Confident80 Ų8059.1 Ų59.156%0.55932%0.319SS*.Hα-helixtrans-75.5-26.3179.8-64.90000112.4N202 G203 L204N202-S206 WeakPolarHBondContact O-CB 3.42Å; N202-S206 PolarHBondContact O-N 2.78Å; N202-S206 PolarHBondContact O-OG 2.94Å; G203-S206 PolarHBondContact O-N 3.16Å; L204-S206 VanDerWaalsContact C-N 3.26Å; L204-S206 PolarHBondContact O-N 3.33Å
207C84.3Confident75.7Confident1 Ų164 Ų641%0.00734%0.342CS..Hα-helixtrans-98-12.5-178.3-57.20000113.9L179 Q180 G203 L204 R205 L219L179-C207 HydrophobicContact CD2-CB 3.74Å; L179-C207 WeakPolarHBondContact CD2-SG 3.44Å; L179-C207 HydrophobicContact CG-CB 4.16Å; L179-C207 PolarHBondContact O-SG 3.17Å; Q180-C207 WeakPolarHBondContact CA-SG 3.48Å; Q180-C207 PolarHBondContact N-SG 3.5Å; Q180-C207 VanDerWaalsContact N-SG 3.42Å; G203-C207 PolarHBondContact O-N 3.28Å; G203-C207 PolarHBondContact O-SG 3.41Å; L204-C207 PolarHBondContact O-N 3.21Å; R205-C207 VanDerWaalsContact C-N 3.34Å; C207-L219 HydrophobicContact CB-CD1 4.15Å; C207-L219 HydrophobicContact CB-CG 4.49Å; C207-L219 PolarHBondContact O-N 2.78Å
208A81.7Confident75.6Confident1 Ų163.4 Ų63.41%0.00835%0.346CS..SBendtrans-54.8142175.300000110.9L204 K210 A246 W248L204-A208 PolarHBondContact O-N 3.09Å; A208-K210 PolarHBondContact O-N 2.83Å; A208-A246 HydrophobicContact CB-CB 3.68Å; A208-W248 HydrophobicContact CB-CD2 4.17Å; A208-W248 HydrophobicContact CB-CG 4.37Å; A208-W248 HydrophobicContact CB-CZ2 4.16Å
209A74.8Confident75.4Confident3 Ų356.6 Ų56.63%0.02532%0.321CS..  trans-62.2116.7178.900000110.3E217 L249A209-E217 WeakPolarHBondContact CA-O 3.33Å; A209-L249 HydrophobicContact CB-CB 4.21Å
210K69.8Low75.1Confident99 Ų9958.5 Ų58.543%0.4333%0.334SS..EExtended strand (participates in β ladder)trans-119.1140.8177.7-68.5174.5-170167.80109.7R205 A208 G212 E217R205-K210 VanDerWaalsContact O-CE 3.28Å; R205-K210 WeakPolarHBondContact O-CE 3.34Å; R205-K210 PolarHBondContact O-NZ 3.03Å; A208-K210 PolarHBondContact O-N 2.83Å; K210-G212 PolarHBondContact O-N 3.03Å; K210-G212 VanDerWaalsContact O-N 3.15Å; K210-E217 PolarHBondContact N-O 2.57Å; K210-E217 PolarHBondContact O-N 2.94Å
211E60.2Low74.9Confident166 Ų16663.9 Ų63.978%0.77635%0.35SS*.EExtended strand (participates in β ladder)trans-72101.9163.6-72.6-178.7167.800107.7L216 L249E211-L216 HydrophobicContact CG-CD2 3.83Å; E211-L249 HydrophobicContact CG-CD1 4.08Å
212G60.1Low75Confident30 Ų3063.6 Ų63.631%0.30935%0.347SS..EExtended strand (participates in β ladder)trans-91.6170.2172.900000111.6K210 S214 G215K210-G212 PolarHBondContact O-N 3.03Å; K210-G212 VanDerWaalsContact O-N 3.15Å; G212-S214 PolarHBondContact O-N 2.92Å; G212-G215 WeakPolarHBondContact CA-O 3.44Å; G212-G215 PolarHBondContact N-O 2.88Å; G212-G215 PolarHBondContact O-N 2.86Å
213L48.5Very low75.3Confident200 Ų20064.1 Ų64.1100%1.04735%0.345SS*.THydrogen-bonded Turntrans-63.1-18.2175.5-71.6155.9000113.2
214S51.7Low75.7Confident92 Ų9265 Ų6564%0.64335%0.347SS*.THydrogen-bonded Turntrans-105.9-2.1-176560000113.7G212 E217G212-S214 PolarHBondContact O-N 2.92Å; S214-E217 PolarHBondContact OG-OE1 3.14Å
215G62.5Low76Confident39 Ų3965 Ų6540%0.40235%0.347SS..EExtended strand (participates in β ladder)trans124.3-164.5-172.700000113.4G212 E217G212-G215 WeakPolarHBondContact CA-O 3.44Å; G212-G215 PolarHBondContact N-O 2.88Å; G212-G215 PolarHBondContact O-N 2.86Å; G215-E217 PolarHBondContact O-N 2.8Å
216L62Low76.3Confident103 Ų10361 Ų6154%0.53933%0.332SS..EExtended strand (participates in β ladder)trans-76.9108.7176.2-72171.5000110.4E211 L249E211-L216 HydrophobicContact CG-CD2 3.83Å; L216-L249 HydrophobicContact CD2-CD1 4.17Å
217E68.5Low76.7Confident111 Ų11157.3 Ų57.352%0.51931%0.306SS..EExtended strand (participates in β ladder)trans-97.3154.2176-65.3-174.6166.600111A209 K210 S214 G215A209-E217 WeakPolarHBondContact CA-O 3.33Å; K210-E217 PolarHBondContact N-O 2.57Å; K210-E217 PolarHBondContact O-N 2.94Å; S214-E217 PolarHBondContact OG-OE1 3.14Å; G215-E217 PolarHBondContact O-N 2.8Å
218G79.4Confident76.9Confident24 Ų2457.3 Ų57.325%0.24731%0.306CS..SBendtrans86-157-179.700000113.9S220G218-S220 PolarHBondContact O-N 3.06Å
219L82.3Confident77Confident6 Ų658.2 Ų58.23%0.03131%0.311CS..SBendtrans-80.256.4-175.8-66.7174.4000112.6L182 L188 L191 C207 R221 L222 W248L182-L219 HydrophobicContact CB-CD2 4.43Å; L182-L219 WeakPolarHBondContact O-CD2 3.4Å; L188-L219 HydrophobicContact CD2-CD2 4.02Å; L191-L219 HydrophobicContact CD2-CD1 4.34Å; C207-L219 HydrophobicContact CB-CD1 4.15Å; C207-L219 HydrophobicContact CB-CG 4.49Å; C207-L219 PolarHBondContact O-N 2.78Å; L219-R221 VanDerWaalsContact C-N 3.26Å; L219-R221 PolarHBondContact O-N 3.38Å; L219-L222 HydrophobicContact CB-CB 4.13Å; L219-L222 HydrophobicContact CD1-CD2 4.5Å; L219-L222 WeakPolarHBondContact O-CB 3.31Å; L219-L222 PolarHBondContact O-N 3.14Å; L219-W248 HydrophobicContact CB-CZ3 3.9Å; L219-W248 HydrophobicContact CD1-CH2 3.89Å; L219-W248 HydrophobicContact CD1-CZ3 3.84Å
220S80.5Confident77.1Confident41 Ų4161.7 Ų61.729%0.28733%0.331SS..THydrogen-bonded Turntrans-67.7-17.7-173.259.90000115.8G218G218-S220 PolarHBondContact O-N 3.06Å
221R84.9Confident77Confident151 Ų15158.4 Ų58.457%0.5733%0.326SS*.THydrogen-bonded Turntrans-101.22.8178.3-74173168.7-171.51.3113.4E186 L188 S189 L219 K223E186-R221 WeakPolarHBondContact O-CD 3.34Å; E186-R221 PolarHBondContact O-NH1 3.26Å; L188-R221 CarbonylContact O-C 3.49Å; S189-R221 WeakPolarHBondContact CA-O 3.21Å; L219-R221 VanDerWaalsContact C-N 3.26Å; L219-R221 PolarHBondContact O-N 3.38Å; R221-K223 PolarHBondContact O-N 3.4Å
222L90.1Very high76.8Confident1 Ų161.9 Ų61.91%0.00533%0.332CS..  trans-72.8116-179.2-163.678.6000110L188 L191 L219 L225 W248 L251L188-L222 HydrophobicContact CG-CD1 4.17Å; L191-L222 HydrophobicContact CB-CD1 3.68Å; L191-L222 HydrophobicContact CB-CD2 4.24Å; L219-L222 HydrophobicContact CB-CB 4.13Å; L219-L222 HydrophobicContact CD1-CD2 4.5Å; L219-L222 WeakPolarHBondContact O-CB 3.31Å; L219-L222 PolarHBondContact O-N 3.14Å; L222-L225 HydrophobicContact CD2-CB 3.93Å; L222-L225 HydrophobicContact CD2-CD1 4.16Å; L222-L225 HydrophobicContact CD2-CD2 4.38Å; L222-L225 HydrophobicContact CD2-CG 4.39Å; L222-W248 HydrophobicContact CD2-CE3 3.95Å; L222-W248 HydrophobicContact CD2-CH2 4.34Å; L222-W248 HydrophobicContact CD2-CZ3 3.44Å; L222-W248 VanDerWaalsContact CD2-CZ3 3.44Å; L222-L251 HydrophobicContact CD2-CD1 4.4Å
223K92.8Very high76.3Confident110 Ų11068.4 Ų68.448%0.47835%0.354SS..  trans-100.1-31.7178.4-65.8-173.5165-142.50112.8S189 R221 E252 E253S189-K223 PolarHBondContact O-N 3.21Å; R221-K223 PolarHBondContact O-N 3.4Å; K223-E252 WeakPolarHBondContact CD-OE2 3.42Å; K223-E252 IonicContact NZ-OE2 3.77Å; K223-E252 PolarHBondContact NZ-OE2 2.99Å; K223-E252 PolarHBondContact O-N 2.85Å; K223-E253 PolarHBondContact O-N 3.22Å
224Y95.2Very high76.5Confident21 Ų2162.6 Ų62.68%0.08234%0.343CS..EExtended strand (participates in β ladder)trans-123.7128.1179.6179.8-75.8000110.4S189 R190 L191 E192 E226 E253 S255S189-Y224 PolarHBondContact O-N 3.18Å; R190-Y224 WeakPolarHBondContact CA-O 3.32Å; R190-Y224 HydrophobicContact CG-CD1 3.51Å; R190-Y224 HydrophobicContact CG-CE1 4.29Å; R190-Y224 HydrophobicContact CG-CG 3.85Å; R190-Y224 VanDerWaalsContact NE-CD1 3.33Å; R190-Y224 VanDerWaalsContact NH2-CE1 3.29Å; R190-Y224 PolarHBondContact NH2-OH 3.14Å; L191-Y224 PolarHBondContact N-O 2.71Å; E192-Y224 HydrophobicContact CG-CE1 4Å; Y224-E226 HydrophobicContact CD1-CB 4.47Å; Y224-E226 HydrophobicContact CE1-CB 3.51Å; Y224-E226 PolarHBondContact OH-OE2 3.19Å; Y224-E253 WeakPolarHBondContact CA-O 3.37Å; Y224-E253 HydrophobicContact CD2-CB 3.59Å; Y224-E253 HydrophobicContact CD2-CG 4.47Å; Y224-E253 VanDerWaalsContact CD2-OE2 3.27Å; Y224-E253 WeakPolarHBondContact CD2-OE2 3.32Å; Y224-E253 HydrophobicContact CE2-CB 4.33Å; Y224-E253 HydrophobicContact CG-CB 4.32Å; Y224-S255 WeakPolarHBondContact OH-CB 3.38Å
225L94.7Very high76.7Confident0 Ų066 Ų660%034%0.343CS..EExtended strand (participates in β ladder)trans-128.8129.6172.5-179.555.7000109.5L191 L222 I227 L244 W248 L251 E253 L254 S255L191-L225 HydrophobicContact CB-CD1 4.11Å; L191-L225 HydrophobicContact CD2-CD1 4Å; L191-L225 HydrophobicContact CG-CD1 4.08Å; L191-L225 CarbonylContact O-C 3.56Å; L191-L225 WeakPolarHBondContact O-CA 3.4Å; L222-L225 HydrophobicContact CD2-CB 3.93Å; L222-L225 HydrophobicContact CD2-CD1 4.16Å; L222-L225 HydrophobicContact CD2-CD2 4.38Å; L222-L225 HydrophobicContact CD2-CG 4.39Å; L225-I227 HydrophobicContact CD1-CD1 4.43Å; L225-I227 HydrophobicContact CD1-CG1 4.11Å; L225-I227 HydrophobicContact CD2-CD1 3.99Å; L225-I227 HydrophobicContact CD2-CG1 4.49Å; L225-I227 HydrophobicContact CG-CD1 4.11Å; L225-I227 HydrophobicContact CG-CG1 4.07Å; L225-L244 HydrophobicContact CD2-CD2 3.59Å; L225-W248 HydrophobicContact CD2-CD2 4.39Å; L225-W248 HydrophobicContact CD2-CE3 4.38Å; L225-W248 HydrophobicContact CD2-CH2 4.07Å; L225-W248 HydrophobicContact CD2-CZ2 4.09Å; L225-W248 HydrophobicContact CD2-CZ3 4.23Å; L225-L251 HydrophobicContact CB-CD1 3.65Å; L225-L251 HydrophobicContact CB-CD2 4.29Å; L225-E253 PolarHBondContact N-O 3.14Å; L225-L254 HydrophobicContact CB-CD1 4.33Å; L225-L254 HydrophobicContact CG-CD1 4.42Å; L225-L254 WeakPolarHBondContact O-CA 3.35Å; L225-S255 PolarHBondContact O-N 3.41Å
226E94.4Very high76.7Confident1 Ų172.9 Ų72.91%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-119.7131.4170.5176171.3173.500110.7L191 E192 L193 R194 Y224 S255 W280L191-E226 PolarHBondContact O-N 3.47Å; E192-E226 HydrophobicContact CB-CB 4.18Å; E192-E226 HydrophobicContact CG-CB 4.05Å; L193-E226 WeakPolarHBondContact CB-O 3.43Å; L193-E226 PolarHBondContact N-O 2.91Å; R194-E226 VanDerWaalsContact CZ-CD 3.44Å; R194-E226 IonicContact CZ-OE1 3.57Å; R194-E226 IonicContact CZ-OE2 2.7Å; R194-E226 IonicContact NE-OE1 2.86Å; R194-E226 PolarHBondContact NE-OE1 3.39Å; R194-E226 VanDerWaalsContact NE-OE1 3.08Å; R194-E226 IonicContact NE-OE2 3.12Å; R194-E226 IonicContact NH1-OE1 3.48Å; R194-E226 PolarHBondContact NH1-OE1 2.83Å; R194-E226 IonicContact NH2-OE1 3.47Å; R194-E226 PolarHBondContact NH2-OE1 3.4Å; R194-E226 IonicContact NH2-OE2 2.7Å; R194-E226 PolarHBondContact NH2-OE2 3.07Å; Y224-E226 HydrophobicContact CD1-CB 4.47Å; Y224-E226 HydrophobicContact CE1-CB 3.51Å; Y224-E226 PolarHBondContact OH-OE2 3.19Å; E226-S255 CarbonylContact C-O 3.56Å; E226-S255 VanDerWaalsContact CA-O 3.25Å; E226-S255 WeakPolarHBondContact CA-O 3.49Å; E226-W280 HydrophobicContact CG-CZ2 4.36Å; E226-W280 WeakPolarHBondContact OE1-CZ2 3.3Å; E226-W280 PolarHBondContact OE1-NE1 3.43Å
227I92.1Very high76.8Confident4 Ų471.5 Ų71.52%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-134.3115.8177.1-57.3168.7000107.5L193 L204 L225 A240 L244 S255 L256 G257 E260L193-I227 WeakPolarHBondContact O-CA 3.34Å; L204-I227 HydrophobicContact CD1-CD1 3.61Å; L204-I227 HydrophobicContact CD2-CD1 4.33Å; L225-I227 HydrophobicContact CD1-CD1 4.43Å; L225-I227 HydrophobicContact CD1-CG1 4.11Å; L225-I227 HydrophobicContact CD2-CD1 3.99Å; L225-I227 HydrophobicContact CD2-CG1 4.49Å; L225-I227 HydrophobicContact CG-CD1 4.11Å; L225-I227 HydrophobicContact CG-CG1 4.07Å; I227-A240 HydrophobicContact CG2-CB 4.49Å; I227-L244 HydrophobicContact CD1-CD2 4.25Å; I227-L244 HydrophobicContact CD1-CG 4.47Å; I227-S255 PolarHBondContact N-O 2.76Å; I227-L256 HydrophobicContact CB-CD2 4.31Å; I227-L256 CarbonylContact O-C 3.51Å; I227-L256 VanDerWaalsContact O-CA 3.3Å; I227-L256 WeakPolarHBondContact O-CA 3.32Å; I227-G257 PolarHBondContact O-N 3.25Å; I227-E260 HydrophobicContact CG2-CB 4.22Å; I227-E260 HydrophobicContact CG2-CG 4.04Å
228G87.9Confident76.9Confident0 Ų069.8 Ų69.80%035%0.349CS..EExtended strand (participates in β ladder)trans-147.2137.8178.500000112.8L193 R194 D195 G257L193-G228 PolarHBondContact O-N 3.19Å; R194-G228 CarbonylContact C-O 3.57Å; R194-G228 WeakPolarHBondContact CA-O 3.13Å; D195-G228 PolarHBondContact N-O 3.41Å; G228-G257 WeakPolarHBondContact CA-O 3.33Å
229I84.9Confident77Confident21 Ų2172.7 Ų72.711%0.10836%0.357CS..EExtended strand (participates in β ladder)trans-123.8108.9172.5-58.4177.3000107.9D195 F197 G257 G258 K259 E260D195-I229 WeakPolarHBondContact OD1-CA 3.38Å; F197-I229 HydrophobicContact CD1-CG2 4.15Å; F197-I229 HydrophobicContact CE1-CG2 3.74Å; I229-G257 PolarHBondContact N-O 2.74Å; I229-G257 VanDerWaalsContact N-O 3.17Å; I229-G258 WeakPolarHBondContact O-CA 3.32Å; I229-K259 PolarHBondContact O-N 2.97Å; I229-E260 HydrophobicContact CB-CG 4.35Å; I229-E260 HydrophobicContact CD1-CG 3.86Å; I229-E260 WeakPolarHBondContact CD1-OE1 3.46Å; I229-E260 HydrophobicContact CG1-CG 3.86Å
230T77.6Confident77.1Confident75 Ų7572.6 Ų72.646%0.4636%0.357SS..  trans-106.7-9.4178.962.20000113.6D195 W280 A281D195-T230 PolarHBondContact OD1-N 3.09Å; D195-T230 PolarHBondContact OD2-OG1 2.71Å; T230-W280 HydrophobicContact CG2-CE3 4.11Å; T230-W280 HydrophobicContact CG2-CH2 3.84Å; T230-W280 HydrophobicContact CG2-CZ3 3.27Å; T230-A281 HydrophobicContact CG2-CB 4.12Å
231G66.4Low77.4Confident30 Ų3070.6 Ų70.631%0.30934%0.343SS..  trans-60.8159.7-179.100000116.3D195D195-G231 PolarHBondContact OD1-N 3.13Å; D195-G231 VanDerWaalsContact OD1-N 3.09Å
232R56.4Low77.5Confident240 Ų24065.9 Ų65.991%0.90633%0.329SS*.  trans-63.5153.3-175.8-71-174.6-176-178.70.6114G234R232-G234 PolarHBondContact O-N 3.17Å
233Q49.7Very low77.2Confident167 Ų16765.8 Ų65.878%0.7833%0.329SS*.THydrogen-bonded Turntrans-43.7127.9173.7-57.6-86.121.200111.8K259Q233-K259 VanDerWaalsContact OE1-NZ 3.09Å
234G52.8Low76.9Confident78 Ų7860.6 Ų60.680%0.80431%0.306SS*.THydrogen-bonded Turntrans145.4-24.6172.200000115.5R232R232-G234 PolarHBondContact O-N 3.17Å
235Y56.6Low76.3Confident163 Ų16360.4 Ų60.464%0.63931%0.31SS*.SBendtrans-87.6131.9173.2-68.7-78.3000110.7F197 L237F197-Y235 HydrophobicContact CD1-CD2 4.27Å; F197-Y235 HydrophobicContact CD1-CG 4.31Å; F197-Y235 HydrophobicContact CE1-CD2 4.35Å; Y235-L237 PolarHBondContact O-N 3.15Å
236Q60.6Low75.7Confident183 Ų18362.3 Ų62.386%0.85533%0.326SS*.  trans-60.5122171.7-170.5173.31.500108.6Q238Q236-Q238 PolarHBondContact O-N 3.08Å; Q236-Q238 VanDerWaalsContact O-N 3.11Å
237L64.8Low74.6Confident74 Ų7463.1 Ų63.139%0.38734%0.335SS..  trans-61.7113.8179.4-74.9159.2000109.3Y235 M239 K259Y235-L237 PolarHBondContact O-N 3.15Å; L237-M239 HydrophobicContact CB-CG 4.2Å; L237-M239 PolarHBondContact O-N 3.31Å; L237-K259 HydrophobicContact CD1-CB 4.47Å; L237-K259 HydrophobicContact CD1-CD 4.07Å; L237-K259 HydrophobicContact CD2-CB 3.46Å; L237-K259 VanDerWaalsContact CD2-CB 3.46Å; L237-K259 HydrophobicContact CD2-CD 3.69Å; L237-K259 HydrophobicContact CD2-CG 4.21Å; L237-K259 HydrophobicContact CG-CD 4.26Å
238Q70.1Confident74.2Confident75 Ų7563.2 Ų63.235%0.3534%0.335SS..  trans-77.1-7174.8-61.5-156.5-16.500112.6F197 R198 V199 Q236 A240F197-Q238 VanDerWaalsContact O-CD 3.27Å; F197-Q238 PolarHBondContact O-OE1 3.33Å; R198-Q238 PolarHBondContact O-OE1 2.66Å; V199-Q238 PolarHBondContact O-OE1 3.21Å; V199-Q238 VanDerWaalsContact O-OE1 3.09Å; Q236-Q238 PolarHBondContact O-N 3.08Å; Q236-Q238 VanDerWaalsContact O-N 3.11Å; Q238-A240 PolarHBondContact O-N 3.46Å
239M83.1Confident73.9Confident85 Ų8566.4 Ų66.442%0.41935%0.352SS..  trans46.750.1178.6-62.8-176.2-76.900110.9L237 S241 L242 E260 P263L237-M239 HydrophobicContact CB-CG 4.2Å; L237-M239 PolarHBondContact O-N 3.31Å; M239-S241 PolarHBondContact O-N 3.37Å; M239-L242 HydrophobicContact CB-CD1 3.68Å; M239-L242 HydrophobicContact CB-CG 4.03Å; M239-L242 HydrophobicContact CE-CD1 4.29Å; M239-L242 WeakPolarHBondContact O-CB 3.32Å; M239-L242 PolarHBondContact O-N 3.39Å; M239-L242 HydrophobicContact SD-CD1 4.1Å; M239-E260 WeakPolarHBondContact CA-OE1 3.42Å; M239-E260 PolarHBondContact N-OE1 3.27Å; M239-P263 HydrophobicContact CB-CB 4.25Å; M239-P263 HydrophobicContact CB-CG 4.17Å; M239-P263 HydrophobicContact CG-CG 3.99Å; M239-P263 HydrophobicContact SD-CG 4.29Å
240A83.5Confident73.9Confident4 Ų466.8 Ų66.83%0.03336%0.361CS..G310 helixtrans-56.1-38.7-171.300000111.3V199 A201 L204 I227 Q238 L242 G243 E260V199-A240 HydrophobicContact CG1-CB 4.31Å; V199-A240 WeakPolarHBondContact O-CB 3.46Å; A201-A240 WeakPolarHBondContact CA-O 3.36Å; L204-A240 HydrophobicContact CD1-CB 3.81Å; L204-A240 WeakPolarHBondContact CD1-O 3.45Å; I227-A240 HydrophobicContact CG2-CB 4.49Å; Q238-A240 PolarHBondContact O-N 3.46Å; A240-L242 PolarHBondContact O-N 3.13Å; A240-L242 VanDerWaalsContact O-N 3.1Å; A240-G243 PolarHBondContact O-N 3.42Å; A240-E260 PolarHBondContact N-OE1 3.25Å; A240-E260 PolarHBondContact N-OE2 2.9Å
241S86.9Confident74.5Confident0 Ų063.2 Ų63.20%034%0.339CS..G310 helixtrans-58.8-19.5178.2570000114.8M239 G243 L244 E260 P263 G264M239-S241 PolarHBondContact O-N 3.37Å; S241-G243 PolarHBondContact O-N 3.24Å; S241-G243 VanDerWaalsContact O-N 3.13Å; S241-L244 VanDerWaalsContact O-CB 3.24Å; S241-L244 WeakPolarHBondContact O-CB 3.49Å; S241-L244 WeakPolarHBondContact O-CD1 3.42Å; S241-L244 WeakPolarHBondContact O-CG 3.39Å; S241-L244 PolarHBondContact O-N 3.27Å; S241-E260 WeakPolarHBondContact CB-OE2 3.35Å; S241-E260 PolarHBondContact N-OE2 3.38Å; S241-E260 PolarHBondContact OG-O 3.34Å; S241-E260 PolarHBondContact OG-OE2 2.96Å; S241-P263 WeakPolarHBondContact OG-CB 2.98Å; S241-G264 PolarHBondContact OG-N 3.26Å
242L87.1Confident75.8Confident51 Ų5164.1 Ų64.127%0.26734%0.335SS..G310 helixtrans-61.6-19.7168.5-68.4175.3000112.4A201 R205 M239 A240 L244 G245 P263 C267A201-L242 HydrophobicContact CB-CB 3.9Å; R205-L242 PolarHBondContact NH1-O 3.16Å; M239-L242 HydrophobicContact CB-CD1 3.68Å; M239-L242 HydrophobicContact CB-CG 4.03Å; M239-L242 HydrophobicContact CE-CD1 4.29Å; M239-L242 WeakPolarHBondContact O-CB 3.32Å; M239-L242 PolarHBondContact O-N 3.39Å; M239-L242 HydrophobicContact SD-CD1 4.1Å; A240-L242 PolarHBondContact O-N 3.13Å; A240-L242 VanDerWaalsContact O-N 3.1Å; L242-L244 PolarHBondContact O-N 3.44Å; L242-G245 PolarHBondContact O-N 3.14Å; L242-P263 HydrophobicContact CD1-CB 4.46Å; L242-P263 HydrophobicContact CD2-CB 3.65Å; L242-P263 HydrophobicContact CG-CB 3.66Å; L242-C267 PolarHBondContact O-SG 3.35Å
243G84.8Confident77.6Confident0 Ų056.3 Ų56.30%031%0.309CS..G310 helixtrans-70.2-16.5175.200000114.3A201 A240 S241 G245 A246A201-G243 WeakPolarHBondContact O-CA 3.42Å; A240-G243 PolarHBondContact O-N 3.42Å; S241-G243 PolarHBondContact O-N 3.24Å; S241-G243 VanDerWaalsContact O-N 3.13Å; G243-G245 PolarHBondContact O-N 3.08Å; G243-G245 VanDerWaalsContact O-N 3.15Å; G243-A246 PolarHBondContact O-N 3.46Å
244L85.8Confident79.7Confident0 Ų048.4 Ų48.40%027%0.272CS..G310 helixtrans-61.2-21.2171.4-61.9172000112.1L225 I227 S241 L242 A246 G247 L254 L256 C267L225-L244 HydrophobicContact CD2-CD2 3.59Å; I227-L244 HydrophobicContact CD1-CD2 4.25Å; I227-L244 HydrophobicContact CD1-CG 4.47Å; S241-L244 VanDerWaalsContact O-CB 3.24Å; S241-L244 WeakPolarHBondContact O-CB 3.49Å; S241-L244 WeakPolarHBondContact O-CD1 3.42Å; S241-L244 WeakPolarHBondContact O-CG 3.39Å; S241-L244 PolarHBondContact O-N 3.27Å; L242-L244 PolarHBondContact O-N 3.44Å; L244-A246 PolarHBondContact O-N 3.26Å; L244-A246 VanDerWaalsContact O-N 3.15Å; L244-G247 PolarHBondContact O-N 3.03Å; L244-L254 HydrophobicContact CD1-CD1 3.89Å; L244-L254 HydrophobicContact CD1-CD2 3.77Å; L244-L254 HydrophobicContact CD2-CD1 4.23Å; L244-L256 HydrophobicContact CD1-CD2 4.18Å; L244-C267 HydrophobicContact CB-CB 3.95Å
245G82.1Confident81.7Confident17 Ų1744.9 Ų44.918%0.17524%0.235CC..G310 helixtrans-67.8-9.1179.200000115.3L242 G243 G247 R270L242-G245 PolarHBondContact O-N 3.14Å; G243-G245 PolarHBondContact O-N 3.08Å; G243-G245 VanDerWaalsContact O-N 3.15Å; G245-G247 PolarHBondContact O-N 3.18Å; G245-R270 WeakPolarHBondContact O-CD 3.43Å
246A81.6Confident83.5Confident40 Ų4037.1 Ų37.133%0.33121%0.205SC..G310 helixtrans-67.2-15.1171.300000113.4R205 A208 G243 L244R205-A246 HydrophobicContact CB-CB 4.12Å; R205-A246 HydrophobicContact CG-CB 3.96Å; A208-A246 HydrophobicContact CB-CB 3.68Å; G243-A246 PolarHBondContact O-N 3.46Å; L244-A246 PolarHBondContact O-N 3.26Å; L244-A246 VanDerWaalsContact O-N 3.15Å
247G73.1Confident84.9Confident18 Ų1828.4 Ų28.419%0.18616%0.164CC..  trans83.1124.1-168.600000110L244 G245L244-G247 PolarHBondContact O-N 3.03Å; G245-G247 PolarHBondContact O-N 3.18Å
248W82.4Confident86Confident6 Ų625.5 Ų25.52%0.02315%0.151CC..  trans-117.395.4176.3-72.868.2000108L204 A208 L219 L222 L225 G250 L251 L271L204-W248 HydrophobicContact CB-CZ2 4.38Å; L204-W248 HydrophobicContact CD2-CH2 4.04Å; L204-W248 HydrophobicContact CD2-CZ2 3.72Å; A208-W248 HydrophobicContact CB-CD2 4.17Å; A208-W248 HydrophobicContact CB-CG 4.37Å; A208-W248 HydrophobicContact CB-CZ2 4.16Å; L219-W248 HydrophobicContact CB-CZ3 3.9Å; L219-W248 HydrophobicContact CD1-CH2 3.89Å; L219-W248 HydrophobicContact CD1-CZ3 3.84Å; L222-W248 HydrophobicContact CD2-CE3 3.95Å; L222-W248 HydrophobicContact CD2-CH2 4.34Å; L222-W248 HydrophobicContact CD2-CZ3 3.44Å; L222-W248 VanDerWaalsContact CD2-CZ3 3.44Å; L225-W248 HydrophobicContact CD2-CD2 4.39Å; L225-W248 HydrophobicContact CD2-CE3 4.38Å; L225-W248 HydrophobicContact CD2-CH2 4.07Å; L225-W248 HydrophobicContact CD2-CZ2 4.09Å; L225-W248 HydrophobicContact CD2-CZ3 4.23Å; W248-G250 PolarHBondContact O-N 2.75Å; W248-L251 HydrophobicContact CB-CB 3.78Å; W248-L251 HydrophobicContact CB-CD2 3.96Å; W248-L251 HydrophobicContact CB-CG 4.47Å; W248-L251 HydrophobicContact CG-CD2 4.31Å; W248-L251 PolarHBondContact O-N 3.44Å; W248-L271 HydrophobicContact CB-CD2 3.79Å; W248-L271 HydrophobicContact CG-CD2 4.23Å
249L82.9Confident86.7Confident68 Ų6826.1 Ų26.136%0.35615%0.153SC..THydrogen-bonded Turntrans-64.5130.4178.8-61.5173.5000109.7A209 E211 L216 L251A209-L249 HydrophobicContact CB-CB 4.21Å; E211-L249 HydrophobicContact CG-CD1 4.08Å; L216-L249 HydrophobicContact CD2-CD1 4.17Å; L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 3.13Å
250G84.3Confident86.9Confident29 Ų2922.1 Ų22.130%0.29913%0.133SC..THydrogen-bonded Turntrans80.13.3179.300000115.8W248 E252 D273W248-G250 PolarHBondContact O-N 2.75Å; G250-E252 PolarHBondContact O-N 3.08Å; G250-D273 PolarHBondContact N-OD2 3.48Å
251L90.7Very high87.2Confident0 Ų022 Ų220%013%0.132CC..  trans-76108.3175.2-173.471.5000110.2L222 L225 W248 L249 L254 L271 D273 L274L222-L251 HydrophobicContact CD2-CD1 4.4Å; L225-L251 HydrophobicContact CB-CD1 3.65Å; L225-L251 HydrophobicContact CB-CD2 4.29Å; W248-L251 HydrophobicContact CB-CB 3.78Å; W248-L251 HydrophobicContact CB-CD2 3.96Å; W248-L251 HydrophobicContact CB-CG 4.47Å; W248-L251 HydrophobicContact CG-CD2 4.31Å; W248-L251 PolarHBondContact O-N 3.44Å; L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 3.13Å; L251-L254 HydrophobicContact CD2-CD1 4.48Å; L251-L271 HydrophobicContact CD2-CD1 4.1Å; L251-L271 HydrophobicContact CD2-CD2 4.17Å; L251-D273 CarbonylContact O-C 3.58Å; L251-D273 VanDerWaalsContact O-C 3.31Å; L251-L274 WeakPolarHBondContact O-CA 3.38Å; L251-L274 PolarHBondContact O-N 3.26Å
252E92.4Very high87.1Confident49 Ų4923.1 Ų23.123%0.22914%0.144CC..  trans-92.9-32.4-175.9-56.8-171.9115.800112.1K223 G250 K275 C276K223-E252 WeakPolarHBondContact CD-OE2 3.42Å; K223-E252 IonicContact NZ-OE2 3.77Å; K223-E252 PolarHBondContact NZ-OE2 2.99Å; K223-E252 PolarHBondContact O-N 2.85Å; G250-E252 PolarHBondContact O-N 3.08Å; E252-K275 HydrophobicContact CB-CD 4.49Å; E252-K275 PolarHBondContact O-N 2.93Å; E252-K275 IonicContact OE1-NZ 3.5Å; E252-K275 PolarHBondContact OE1-NZ 3.17Å; E252-C276 PolarHBondContact O-N 3.42Å
253E94.4Very high87.1Confident76 Ų7621.5 Ų21.536%0.35514%0.136SC..EExtended strand (participates in β ladder)trans-130.3127.7-174.1-57.5-172.5-164.800111.2K223 Y224 L225 C276K223-E253 PolarHBondContact O-N 3.22Å; Y224-E253 WeakPolarHBondContact CA-O 3.37Å; Y224-E253 HydrophobicContact CD2-CB 3.59Å; Y224-E253 HydrophobicContact CD2-CG 4.47Å; Y224-E253 VanDerWaalsContact CD2-OE2 3.27Å; Y224-E253 WeakPolarHBondContact CD2-OE2 3.32Å; Y224-E253 HydrophobicContact CE2-CB 4.33Å; Y224-E253 HydrophobicContact CG-CB 4.32Å; L225-E253 PolarHBondContact N-O 3.14Å; E253-C276 WeakPolarHBondContact CA-O 3.26Å; E253-C276 HydrophobicContact CB-CB 4.43Å; E253-C276 HydrophobicContact CG-CB 3.98Å
254L94.4Very high87.2Confident0 Ų021.5 Ų21.50%014%0.136CC..EExtended strand (participates in β ladder)trans-124.4128.2176.8179.267.7000109.9L225 L244 L251 L256 L271 L274 C276 L277 H278L225-L254 HydrophobicContact CB-CD1 4.33Å; L225-L254 HydrophobicContact CG-CD1 4.42Å; L225-L254 WeakPolarHBondContact O-CA 3.35Å; L244-L254 HydrophobicContact CD1-CD1 3.89Å; L244-L254 HydrophobicContact CD1-CD2 3.77Å; L244-L254 HydrophobicContact CD2-CD1 4.23Å; L251-L254 HydrophobicContact CD2-CD1 4.48Å; L254-L256 HydrophobicContact CD1-CD2 4.07Å; L254-L256 HydrophobicContact CD1-CG 4.38Å; L254-L256 HydrophobicContact CD2-CD1 3.95Å; L254-L256 HydrophobicContact CD2-CD2 4.27Å; L254-L256 HydrophobicContact CD2-CG 4.01Å; L254-L256 HydrophobicContact CG-CD1 4.46Å; L254-L256 HydrophobicContact CG-CD2 4.22Å; L254-L256 HydrophobicContact CG-CG 3.98Å; L254-L271 HydrophobicContact CD2-CD1 3.71Å; L254-L274 HydrophobicContact CB-CD1 3.54Å; L254-C276 PolarHBondContact N-O 3.01Å; L254-L277 HydrophobicContact CB-CD1 4.13Å; L254-L277 HydrophobicContact CD2-CD1 3.97Å; L254-L277 HydrophobicContact CG-CD1 4.11Å; L254-L277 CarbonylContact O-C 3.46Å; L254-L277 WeakPolarHBondContact O-CA 3.14Å; L254-H278 PolarHBondContact O-N 3.45Å
255S94.8Very high87.3Confident5 Ų521.7 Ų21.74%0.03514%0.138CC..EExtended strand (participates in β ladder)trans-116.4123172.2-178.70000110.2Y224 L225 E226 I227 H278 W280Y224-S255 WeakPolarHBondContact OH-CB 3.38Å; L225-S255 PolarHBondContact O-N 3.41Å; E226-S255 CarbonylContact C-O 3.56Å; E226-S255 VanDerWaalsContact CA-O 3.25Å; E226-S255 WeakPolarHBondContact CA-O 3.49Å; I227-S255 PolarHBondContact N-O 2.76Å; S255-H278 CarbonylContact C-O 3.59Å; S255-H278 VanDerWaalsContact CA-O 3.28Å; S255-H278 WeakPolarHBondContact CA-O 3.41Å; S255-W280 PolarHBondContact OG-NE1 2.85Å
256L93.1Very high87.6Confident0 Ų026.8 Ų26.80%016%0.16CC..EExtended strand (participates in β ladder)trans-118.1130.2-179.8-63.5173.7000110.2I227 L244 L254 V261 L277 H278 L279 W280I227-L256 HydrophobicContact CB-CD2 4.31Å; I227-L256 CarbonylContact O-C 3.51Å; I227-L256 VanDerWaalsContact O-CA 3.3Å; I227-L256 WeakPolarHBondContact O-CA 3.32Å; L244-L256 HydrophobicContact CD1-CD2 4.18Å; L254-L256 HydrophobicContact CD1-CD2 4.07Å; L254-L256 HydrophobicContact CD1-CG 4.38Å; L254-L256 HydrophobicContact CD2-CD1 3.95Å; L254-L256 HydrophobicContact CD2-CD2 4.27Å; L254-L256 HydrophobicContact CD2-CG 4.01Å; L254-L256 HydrophobicContact CG-CD1 4.46Å; L254-L256 HydrophobicContact CG-CD2 4.22Å; L254-L256 HydrophobicContact CG-CG 3.98Å; L256-V261 HydrophobicContact CB-CB 4.4Å; L256-V261 HydrophobicContact CB-CG2 3.83Å; L256-V261 WeakPolarHBondContact O-CG2 3.42Å; L256-L277 HydrophobicContact CD1-CD1 4.41Å; L256-H278 PolarHBondContact N-O 3.22Å; L256-L279 HydrophobicContact CB-CD2 3.97Å; L256-L279 HydrophobicContact CD1-CD2 4.26Å; L256-L279 WeakPolarHBondContact O-CA 3.43Å; L256-W280 PolarHBondContact O-N 3.31Å
257G90.8Very high87.8Confident0 Ų025.6 Ų25.60%015%0.149CC..EExtended strand (participates in β ladder)trans-122.1139.6-176.400000114.3I227 G228 I229 K259 E260 W280I227-G257 PolarHBondContact O-N 3.25Å; G228-G257 WeakPolarHBondContact CA-O 3.33Å; I229-G257 PolarHBondContact N-O 2.74Å; I229-G257 VanDerWaalsContact N-O 3.17Å; G257-K259 PolarHBondContact O-N 2.96Å; G257-E260 PolarHBondContact O-N 2.82Å; G257-W280 CarbonylContact C-O 3.54Å; G257-W280 VanDerWaalsContact CA-O 3.29Å; G257-W280 WeakPolarHBondContact CA-O 3.49Å
258G87.8Confident88.5Confident12 Ų1224.8 Ų24.812%0.12414%0.141CC..EExtended strand (participates in β ladder)trans59.5-128.3170.400000114.1I229 E260 V261 W280 A281 C282I229-G258 WeakPolarHBondContact O-CA 3.32Å; G258-E260 PolarHBondContact O-N 3.33Å; G258-V261 WeakPolarHBondContact O-CG2 3.21Å; G258-V261 PolarHBondContact O-N 3.3Å; G258-W280 PolarHBondContact N-O 3.05Å; G258-A281 WeakPolarHBondContact CA-O 3.47Å; G258-C282 WeakPolarHBondContact O-CB 3.25Å
259K85.1Confident88.6Confident89 Ų8927.1 Ų27.139%0.38716%0.158SC..THydrogen-bonded Turntrans-72.9-10.8-173.7-63.4-175.7173.8-173.30114.1I229 Q233 L237 G257 P263I229-K259 PolarHBondContact O-N 2.97Å; Q233-K259 VanDerWaalsContact OE1-NZ 3.09Å; L237-K259 HydrophobicContact CD1-CB 4.47Å; L237-K259 HydrophobicContact CD1-CD 4.07Å; L237-K259 HydrophobicContact CD2-CB 3.46Å; L237-K259 VanDerWaalsContact CD2-CB 3.46Å; L237-K259 HydrophobicContact CD2-CD 3.69Å; L237-K259 HydrophobicContact CD2-CG 4.21Å; L237-K259 HydrophobicContact CG-CD 4.26Å; G257-K259 PolarHBondContact O-N 2.96Å; K259-P263 WeakPolarHBondContact O-CD 3.46Å
260E87.6Confident88.8Confident0 Ų031.7 Ų31.70%017%0.171CC..THydrogen-bonded Turntrans-85.8-8.4178.4-69.7-6715100113.1I227 I229 M239 A240 S241 G257 G258 G264I227-E260 HydrophobicContact CG2-CB 4.22Å; I227-E260 HydrophobicContact CG2-CG 4.04Å; I229-E260 HydrophobicContact CB-CG 4.35Å; I229-E260 HydrophobicContact CD1-CG 3.86Å; I229-E260 WeakPolarHBondContact CD1-OE1 3.46Å; I229-E260 HydrophobicContact CG1-CG 3.86Å; M239-E260 WeakPolarHBondContact CA-OE1 3.42Å; M239-E260 PolarHBondContact N-OE1 3.27Å; A240-E260 PolarHBondContact N-OE1 3.25Å; A240-E260 PolarHBondContact N-OE2 2.9Å; S241-E260 WeakPolarHBondContact CB-OE2 3.35Å; S241-E260 PolarHBondContact N-OE2 3.38Å; S241-E260 PolarHBondContact OG-O 3.34Å; S241-E260 PolarHBondContact OG-OE2 2.96Å; G257-E260 PolarHBondContact O-N 2.82Å; G258-E260 PolarHBondContact O-N 3.33Å; E260-G264 PolarHBondContact O-N 3.2Å
261V88.3Confident88.9Confident1 Ų130.7 Ų30.71%0.00616%0.158CC..Hα-helixtrans-65.7-47.4-179.3-178.40000112L256 G258 G264 L265 L279 C282 L284L256-V261 HydrophobicContact CB-CB 4.4Å; L256-V261 HydrophobicContact CB-CG2 3.83Å; L256-V261 WeakPolarHBondContact O-CG2 3.42Å; G258-V261 WeakPolarHBondContact O-CG2 3.21Å; G258-V261 PolarHBondContact O-N 3.3Å; V261-G264 PolarHBondContact O-N 3.24Å; V261-L265 HydrophobicContact CG1-CD1 3.7Å; V261-L265 HydrophobicContact CG1-CG 3.99Å; V261-L265 WeakPolarHBondContact O-CB 3.16Å; V261-L265 VanDerWaalsContact O-CG 3.27Å; V261-L265 WeakPolarHBondContact O-CG 3.32Å; V261-L265 PolarHBondContact O-N 3.3Å; V261-L279 HydrophobicContact CG1-CD1 4.14Å; V261-L279 HydrophobicContact CG1-CD2 3.78Å; V261-L279 HydrophobicContact CG1-CG 4.37Å; V261-C282 HydrophobicContact CB-CB 4.07Å; V261-C282 HydrophobicContact CG2-CB 3.61Å; V261-L284 HydrophobicContact CB-CD2 4.18Å; V261-L284 HydrophobicContact CG1-CD1 4.07Å; V261-L284 HydrophobicContact CG1-CD2 3.54Å; V261-L284 HydrophobicContact CG1-CG 4.32Å
262G86.3Confident88.7Confident24 Ų2439.7 Ų39.725%0.24720%0.198CC..Hα-helixtrans-56.3-57.8-179.700000113.1G264 L265 L266G262-G264 VanDerWaalsContact C-N 3.34Å; G262-G264 PolarHBondContact O-N 2.91Å; G262-L265 PolarHBondContact O-N 2.82Å; G262-L266 PolarHBondContact O-N 2.84Å
263P86.4Confident88.5Confident17 Ų1740.7 Ų40.711%0.1120%0.204CC..Hα-helixtrans-64.9-35.2179-12.623.9000113M239 S241 L242 K259 L266 C267M239-P263 HydrophobicContact CB-CB 4.25Å; M239-P263 HydrophobicContact CB-CG 4.17Å; M239-P263 HydrophobicContact CG-CG 3.99Å; M239-P263 HydrophobicContact SD-CG 4.29Å; S241-P263 WeakPolarHBondContact OG-CB 2.98Å; L242-P263 HydrophobicContact CD1-CB 4.46Å; L242-P263 HydrophobicContact CD2-CB 3.65Å; L242-P263 HydrophobicContact CG-CB 3.66Å; K259-P263 WeakPolarHBondContact O-CD 3.46Å; P263-L266 WeakPolarHBondContact O-CB 3.4Å; P263-L266 PolarHBondContact O-N 2.85Å; P263-C267 PolarHBondContact O-N 3.3Å
264G87.1Confident88.3Confident0 Ų037.4 Ų37.40%019%0.189CC..Hα-helixtrans-65.5-40.5176.500000113.5S241 E260 V261 G262 L266 C267 A268S241-G264 PolarHBondContact OG-N 3.26Å; E260-G264 PolarHBondContact O-N 3.2Å; V261-G264 PolarHBondContact O-N 3.24Å; G262-G264 VanDerWaalsContact C-N 3.34Å; G262-G264 PolarHBondContact O-N 2.91Å; G264-L266 VanDerWaalsContact C-N 3.26Å; G264-L266 PolarHBondContact O-N 3.1Å; G264-C267 CarbonylContact O-C 3.31Å; G264-C267 PolarHBondContact O-N 3.13Å; G264-C267 VanDerWaalsContact O-N 3.09Å; G264-A268 PolarHBondContact O-N 3.04Å
265L88.4Confident88.1Confident5 Ų540.8 Ų40.83%0.02620%0.204CC..Hα-helixtrans-64-27.1176-77.7178.2000113.4V261 G262 C267 L277 L279 L284 S292V261-L265 HydrophobicContact CG1-CD1 3.7Å; V261-L265 HydrophobicContact CG1-CG 3.99Å; V261-L265 WeakPolarHBondContact O-CB 3.16Å; V261-L265 VanDerWaalsContact O-CG 3.27Å; V261-L265 WeakPolarHBondContact O-CG 3.32Å; V261-L265 PolarHBondContact O-N 3.3Å; G262-L265 PolarHBondContact O-N 2.82Å; L265-C267 VanDerWaalsContact C-N 3.35Å; L265-L277 HydrophobicContact CD2-CD2 3.87Å; L265-L279 HydrophobicContact CD1-CD1 4.23Å; L265-L279 HydrophobicContact CD2-CD1 4.21Å; L265-L279 HydrophobicContact CD2-CD2 4.31Å; L265-L284 HydrophobicContact CD1-CD2 4.18Å; L265-S292 PolarHBondContact O-OG 3.12Å
266L86.8Confident88.1Confident123 Ų12341.3 Ų41.364%0.64421%0.208SC*.Hα-helixtrans-68.3-37.6173.1-64.1173.8000111.3G262 P263 G264G262-L266 PolarHBondContact O-N 2.84Å; P263-L266 WeakPolarHBondContact O-CB 3.4Å; P263-L266 PolarHBondContact O-N 2.85Å; G264-L266 VanDerWaalsContact C-N 3.26Å; G264-L266 PolarHBondContact O-N 3.1Å
267C87.5Confident88.1Confident15 Ų1541.3 Ų41.310%0.10121%0.208CC..Hα-helixtrans-90.6-16.8-177.7-67.40000114L242 L244 P263 G264 L265 S269 R270L242-C267 PolarHBondContact O-SG 3.35Å; L244-C267 HydrophobicContact CB-CB 3.95Å; P263-C267 PolarHBondContact O-N 3.3Å; G264-C267 CarbonylContact O-C 3.31Å; G264-C267 PolarHBondContact O-N 3.13Å; G264-C267 VanDerWaalsContact O-N 3.09Å; L265-C267 VanDerWaalsContact C-N 3.35Å; C267-S269 PolarHBondContact O-N 2.99Å; C267-S269 VanDerWaalsContact O-N 3.13Å; C267-R270 WeakPolarHBondContact O-CB 3.45Å; C267-R270 PolarHBondContact O-N 3.05Å
268A86.6Confident88.2Confident1 Ų143 Ų431%0.00822%0.215CC..G310 helixtrans-56.7-31.4-177.300000113.1G264 R270 L271 L296G264-A268 PolarHBondContact O-N 3.04Å; A268-R270 PolarHBondContact O-N 3.12Å; A268-L271 WeakPolarHBondContact O-CB 3.34Å; A268-L271 PolarHBondContact O-N 2.7Å; A268-L296 HydrophobicContact CB-CD1 4.32Å; A268-L296 HydrophobicContact CB-CD2 3.97Å; A268-L296 WeakPolarHBondContact O-CD2 3.42Å
269S85.3Confident88.4Confident56 Ų5642.5 Ų42.539%0.39221%0.21SC..G310 helixtrans-57.9-20175.560.70000114.6C267C267-S269 PolarHBondContact O-N 2.99Å; C267-S269 VanDerWaalsContact O-N 3.13Å
270R86.7Confident88.8Confident164 Ų16439.7 Ų39.762%0.61920%0.197SC*.G310 helixtrans-88.2-6.9178.6-62.4180173.9-107.9-0.5113.1G245 C267 A268 K272G245-R270 WeakPolarHBondContact O-CD 3.43Å; C267-R270 WeakPolarHBondContact O-CB 3.45Å; C267-R270 PolarHBondContact O-N 3.05Å; A268-R270 PolarHBondContact O-N 3.12Å; R270-K272 PolarHBondContact O-N 2.91Å
271L87.5Confident88.8Confident8 Ų841.6 Ų41.64%0.04221%0.213CC..  trans-89.593.3179.7-56.1176.5000109.5W248 L251 L254 A268 D273 L274W248-L271 HydrophobicContact CB-CD2 3.79Å; W248-L271 HydrophobicContact CG-CD2 4.23Å; L251-L271 HydrophobicContact CD2-CD1 4.1Å; L251-L271 HydrophobicContact CD2-CD2 4.17Å; L254-L271 HydrophobicContact CD2-CD1 3.71Å; A268-L271 WeakPolarHBondContact O-CB 3.34Å; A268-L271 PolarHBondContact O-N 2.7Å; L271-D273 PolarHBondContact O-N 3.08Å; L271-L274 HydrophobicContact CB-CB 3.93Å; L271-L274 HydrophobicContact CB-CD2 4.47Å; L271-L274 HydrophobicContact CD1-CD1 4.48Å; L271-L274 HydrophobicContact CD1-CD2 4.25Å
272K85.1Confident88.7Confident189 Ų18942 Ų4282%0.82222%0.215SC*.THydrogen-bonded Turntrans-69.4-31.9-172.2-63.8-177.8-179.2177.50113.7R270R270-K272 PolarHBondContact O-N 2.91Å
273D88.1Confident88.7Confident70 Ų7045 Ų4537%0.37423%0.229SC..THydrogen-bonded Turntrans-94.34.2-174.6-57.7-46.5000113.4G250 L251 L271 K275G250-D273 PolarHBondContact N-OD2 3.48Å; L251-D273 CarbonylContact O-C 3.58Å; L251-D273 VanDerWaalsContact O-C 3.31Å; L271-D273 PolarHBondContact O-N 3.08Å; D273-K275 PolarHBondContact O-N 3.17Å
274L90.3Very high88.6Confident6 Ų644.4 Ų44.43%0.03123%0.225CC..  trans-69.1121.9-173.9-17072.3000111.3L251 L254 L271 C276 L296 L299L251-L274 WeakPolarHBondContact O-CA 3.38Å; L251-L274 PolarHBondContact O-N 3.26Å; L254-L274 HydrophobicContact CB-CD1 3.54Å; L271-L274 HydrophobicContact CB-CB 3.93Å; L271-L274 HydrophobicContact CB-CD2 4.47Å; L271-L274 HydrophobicContact CD1-CD1 4.48Å; L271-L274 HydrophobicContact CD1-CD2 4.25Å; L274-C276 WeakPolarHBondContact CD1-O 3.38Å; L274-L296 HydrophobicContact CD2-CD2 4.35Å; L274-L299 HydrophobicContact CD2-CD1 4.16Å; L274-L299 HydrophobicContact CG-CD1 4.12Å
275K91.7Very high88.5Confident71 Ų7145.8 Ų45.831%0.30923%0.234SC..  trans-110.2-37.2179.5-66.7169-172.5166.70112.1E252 D273 L299 R300 Q301E252-K275 HydrophobicContact CB-CD 4.49Å; E252-K275 PolarHBondContact O-N 2.93Å; E252-K275 IonicContact OE1-NZ 3.5Å; E252-K275 PolarHBondContact OE1-NZ 3.17Å; D273-K275 PolarHBondContact O-N 3.17Å; K275-L299 WeakPolarHBondContact O-CD1 3.38Å; K275-R300 PolarHBondContact O-N 2.94Å; K275-Q301 PolarHBondContact O-N 3.41Å; K275-Q301 VanDerWaalsContact O-N 3.1Å
276C92.9Very high87.9Confident17 Ų1747.8 Ų47.812%0.11524%0.244CC..EExtended strand (participates in β ladder)trans-125.1132.1-177.6-51.50000111E252 E253 L254 L274 Q301E252-C276 PolarHBondContact O-N 3.42Å; E253-C276 WeakPolarHBondContact CA-O 3.26Å; E253-C276 HydrophobicContact CB-CB 4.43Å; E253-C276 HydrophobicContact CG-CB 3.98Å; L254-C276 PolarHBondContact N-O 3.01Å; L274-C276 WeakPolarHBondContact CD1-O 3.38Å; C276-Q301 WeakPolarHBondContact CA-O 3.27Å; C276-Q301 HydrophobicContact CB-CB 4.31Å
277L93.1Very high87.5Confident0 Ų045 Ų450%023%0.229CC..EExtended strand (participates in β ladder)trans-125.6121.2176.5178.360.7000109.2L254 L256 L265 L279 L296 L299 Q301 L302 E303L254-L277 HydrophobicContact CB-CD1 4.13Å; L254-L277 HydrophobicContact CD2-CD1 3.97Å; L254-L277 HydrophobicContact CG-CD1 4.11Å; L254-L277 CarbonylContact O-C 3.46Å; L254-L277 WeakPolarHBondContact O-CA 3.14Å; L256-L277 HydrophobicContact CD1-CD1 4.41Å; L265-L277 HydrophobicContact CD2-CD2 3.87Å; L277-L279 HydrophobicContact CD1-CD2 3.83Å; L277-L279 HydrophobicContact CD2-CD2 4.26Å; L277-L279 HydrophobicContact CG-CD2 3.9Å; L277-L279 HydrophobicContact CG-CG 4.28Å; L277-L296 HydrophobicContact CD2-CD1 3.88Å; L277-L299 HydrophobicContact CB-CD1 3.79Å; L277-L299 HydrophobicContact CB-CD2 4.06Å; L277-Q301 PolarHBondContact N-O 2.92Å; L277-L302 HydrophobicContact CB-CD1 3.82Å; L277-L302 HydrophobicContact CD2-CD1 3.78Å; L277-L302 HydrophobicContact CG-CD1 3.8Å; L277-L302 WeakPolarHBondContact O-CA 3.29Å; L277-E303 PolarHBondContact O-N 3.29Å
278H93.3Very high87.2Confident35 Ų3548.8 Ų48.816%0.16225%0.246CC..EExtended strand (participates in β ladder)trans-113.4119.9178.2-56.2153.9000109.5L254 S255 L256 E303L254-H278 PolarHBondContact O-N 3.45Å; S255-H278 CarbonylContact C-O 3.59Å; S255-H278 VanDerWaalsContact CA-O 3.28Å; S255-H278 WeakPolarHBondContact CA-O 3.41Å; L256-H278 PolarHBondContact N-O 3.22Å; H278-E303 VanDerWaalsContact CD2-CG 3.44Å; H278-E303 WeakPolarHBondContact CD2-CG 3.38Å; H278-E303 IonicContact CD2-OE2 3.66Å; H278-E303 PolarHBondContact CD2-OE2 3.49Å; H278-E303 IonicContact CE1-OE2 3.49Å; H278-E303 IonicContact CG-OE2 2.9Å; H278-E303 IonicContact NE2-OE2 2.61Å
279L92.7Very high87Confident2 Ų248.8 Ų48.81%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-109.5125.2177.8-55.1-173.8000108.6L256 V261 L265 L277 L284 E303 F304 L305 V307L256-L279 HydrophobicContact CB-CD2 3.97Å; L256-L279 HydrophobicContact CD1-CD2 4.26Å; L256-L279 WeakPolarHBondContact O-CA 3.43Å; V261-L279 HydrophobicContact CG1-CD1 4.14Å; V261-L279 HydrophobicContact CG1-CD2 3.78Å; V261-L279 HydrophobicContact CG1-CG 4.37Å; L265-L279 HydrophobicContact CD1-CD1 4.23Å; L265-L279 HydrophobicContact CD2-CD1 4.21Å; L265-L279 HydrophobicContact CD2-CD2 4.31Å; L277-L279 HydrophobicContact CD1-CD2 3.83Å; L277-L279 HydrophobicContact CD2-CD2 4.26Å; L277-L279 HydrophobicContact CG-CD2 3.9Å; L277-L279 HydrophobicContact CG-CG 4.28Å; L279-L284 HydrophobicContact CD1-CD1 3.76Å; L279-E303 PolarHBondContact N-O 3.19Å; L279-F304 HydrophobicContact CB-CD1 4.23Å; L279-F304 HydrophobicContact CD1-CD1 4.15Å; L279-F304 HydrophobicContact CD1-CE1 3.75Å; L279-F304 WeakPolarHBondContact O-CA 3.26Å; L279-L305 PolarHBondContact O-N 2.92Å; L279-V307 WeakPolarHBondContact O-CG2 3.33Å
280W92.6Very high86.8Confident29 Ų2947.1 Ų47.111%0.1123%0.233CC..EExtended strand (participates in β ladder)trans-136.3149.9-175.858.9-83.6000115.2R194 E226 T230 S255 L256 G257 G258 C282 L305R194-W280 HydrophobicContact CG-CH2 4.35Å; R194-W280 HydrophobicContact CG-CZ2 4.38Å; E226-W280 HydrophobicContact CG-CZ2 4.36Å; E226-W280 WeakPolarHBondContact OE1-CZ2 3.3Å; E226-W280 PolarHBondContact OE1-NE1 3.43Å; T230-W280 HydrophobicContact CG2-CE3 4.11Å; T230-W280 HydrophobicContact CG2-CH2 3.84Å; T230-W280 HydrophobicContact CG2-CZ3 3.27Å; S255-W280 PolarHBondContact OG-NE1 2.85Å; L256-W280 PolarHBondContact O-N 3.31Å; G257-W280 CarbonylContact C-O 3.54Å; G257-W280 VanDerWaalsContact CA-O 3.29Å; G257-W280 WeakPolarHBondContact CA-O 3.49Å; G258-W280 PolarHBondContact N-O 3.05Å; W280-C282 VanDerWaalsContact C-N 3.29Å; W280-C282 PolarHBondContact O-N 3.33Å; W280-L305 CarbonylContact C-O 3.51Å; W280-L305 WeakPolarHBondContact CA-O 3.16Å; W280-L305 HydrophobicContact CB-CB 4.02Å; W280-L305 HydrophobicContact CB-CD2 4.31Å; W280-L305 HydrophobicContact CB-CG 4.47Å
281A88.2Confident86.6Confident41 Ų4147.7 Ų47.734%0.33924%0.235SC..SBendtrans48.543.6173.400000114.2T230 G258 L305 D306T230-A281 HydrophobicContact CG2-CB 4.12Å; G258-A281 WeakPolarHBondContact CA-O 3.47Å; A281-L305 PolarHBondContact N-O 3.44Å; A281-D306 VanDerWaalsContact CA-O 3.28Å; A281-D306 WeakPolarHBondContact CA-O 3.48Å; A281-D306 PolarHBondContact N-O 3.41Å
282C87.1Confident86.4Confident9 Ų948 Ų486%0.06124%0.238CC..  trans-133.4159.6-171.867.40000113G258 V261 W280 V307 T308G258-C282 WeakPolarHBondContact O-CB 3.25Å; V261-C282 HydrophobicContact CB-CB 4.07Å; V261-C282 HydrophobicContact CG2-CB 3.61Å; W280-C282 VanDerWaalsContact C-N 3.29Å; W280-C282 PolarHBondContact O-N 3.33Å; C282-V307 WeakPolarHBondContact O-CA 3.3Å; C282-T308 PolarHBondContact O-N 2.94Å
283T85.4Confident86.2Confident88 Ų8839.1 Ų39.154%0.5420%0.199SC..EExtended strand (participates in β ladder)trans-104.1122.817154.80000109.1T308T283-T308 CarbonylContact C-O 3.56Å; T283-T308 VanDerWaalsContact CA-O 3.27Å; T283-T308 WeakPolarHBondContact CA-O 3.39Å
284L84.6Confident85.8Confident3 Ų342.6 Ų42.62%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-127.1135.5-175.9-64.8175.8000111.8V261 L265 L279 I289 F304 V307 T308 F309 Q310V261-L284 HydrophobicContact CB-CD2 4.18Å; V261-L284 HydrophobicContact CG1-CD1 4.07Å; V261-L284 HydrophobicContact CG1-CD2 3.54Å; V261-L284 HydrophobicContact CG1-CG 4.32Å; L265-L284 HydrophobicContact CD1-CD2 4.18Å; L279-L284 HydrophobicContact CD1-CD1 3.76Å; L284-I289 HydrophobicContact CB-CD1 3.65Å; L284-I289 HydrophobicContact CB-CG1 3.98Å; L284-I289 HydrophobicContact CD1-CD1 3.88Å; L284-I289 HydrophobicContact CD1-CG1 3.93Å; L284-I289 HydrophobicContact CG-CD1 4.4Å; L284-I289 HydrophobicContact CG-CG1 4.48Å; L284-F304 HydrophobicContact CD1-CE1 4.45Å; L284-V307 HydrophobicContact CB-CG1 4.46Å; L284-V307 HydrophobicContact CD1-CG1 3.95Å; L284-V307 HydrophobicContact CG-CG1 4.24Å; L284-T308 PolarHBondContact N-O 3.2Å; L284-F309 HydrophobicContact CB-CD1 4.47Å; L284-F309 CarbonylContact O-C 3.56Å; L284-F309 VanDerWaalsContact O-CA 3.32Å; L284-F309 WeakPolarHBondContact O-CA 3.39Å; L284-Q310 PolarHBondContact O-N 2.97Å
285S84.4Confident85.3Confident29 Ų2948.1 Ų48.120%0.20324%0.235CC..EExtended strand (participates in β ladder)trans-79.2142.2166.965.70000110.6L287 Q288 I289S285-L287 PolarHBondContact O-N 3Å; S285-Q288 PolarHBondContact O-N 3.31Å; S285-Q288 VanDerWaalsContact O-N 3.1Å; S285-Q288 WeakPolarHBondContact OG-CB 3.29Å; S285-Q288 WeakPolarHBondContact OG-CG 3.2Å; S285-Q288 PolarHBondContact OG-N 2.99Å; S285-Q288 PolarHBondContact OG-OE1 3.41Å; S285-I289 PolarHBondContact O-N 2.88Å
286E76.8Confident84.8Confident47 Ų4745.3 Ų45.322%0.2222%0.223CC..Hα-helixtrans-54.6-39.9175.6175.6173-156.800112Q288 I289 V290 Q310 L327E286-Q288 PolarHBondContact O-N 3.42Å; E286-I289 PolarHBondContact O-N 3.37Å; E286-V290 HydrophobicContact CG-CG2 4.22Å; E286-V290 WeakPolarHBondContact O-CB 3.35Å; E286-V290 WeakPolarHBondContact O-CG2 3.17Å; E286-V290 PolarHBondContact O-N 3.37Å; E286-Q310 PolarHBondContact N-O 3.13Å; E286-L327 HydrophobicContact CB-CD1 3.78Å; E286-L327 HydrophobicContact CG-CD1 3.64Å; E286-L327 HydrophobicContact CG-CG 4.47Å
287L78Confident83.9Confident66 Ų6654.8 Ų54.835%0.34626%0.256SS..Hα-helixtrans-59.3-41.7177.5-84.6164.5000113.3S285 R291 R312S285-L287 PolarHBondContact O-N 3Å; L287-R291 WeakPolarHBondContact O-CB 3.2Å; L287-R291 VanDerWaalsContact O-CG 3.25Å; L287-R291 WeakPolarHBondContact O-CG 3.21Å; L287-R291 PolarHBondContact O-N 3.46Å; L287-R291 VanDerWaalsContact O-N 3.11Å; L287-R312 HydrophobicContact CD1-CG 4.21Å; L287-R312 HydrophobicContact CG-CG 4.22Å
288Q79.9Confident83.3Confident94 Ų9457.3 Ų57.344%0.43928%0.282SS..Hα-helixtrans-65.8-45.8179.7-79.7169.5-35.500110.9S285 E286 R291 S292S285-Q288 PolarHBondContact O-N 3.31Å; S285-Q288 VanDerWaalsContact O-N 3.1Å; S285-Q288 WeakPolarHBondContact OG-CB 3.29Å; S285-Q288 WeakPolarHBondContact OG-CG 3.2Å; S285-Q288 PolarHBondContact OG-N 2.99Å; S285-Q288 PolarHBondContact OG-OE1 3.41Å; E286-Q288 PolarHBondContact O-N 3.42Å; Q288-R291 PolarHBondContact O-N 3.2Å; Q288-S292 WeakPolarHBondContact O-CB 3.22Å; Q288-S292 PolarHBondContact O-N 3.42Å; Q288-S292 PolarHBondContact O-OG 3.22Å
289I83Confident83Confident1 Ų156 Ų561%0.00528%0.276CS..Hα-helixtrans-65-50.1-178.9-58.2161.7000109.9L284 S285 E286 R291 S292 C293 F304 F309 L331L284-I289 HydrophobicContact CB-CD1 3.65Å; L284-I289 HydrophobicContact CB-CG1 3.98Å; L284-I289 HydrophobicContact CD1-CD1 3.88Å; L284-I289 HydrophobicContact CD1-CG1 3.93Å; L284-I289 HydrophobicContact CG-CD1 4.4Å; L284-I289 HydrophobicContact CG-CG1 4.48Å; S285-I289 PolarHBondContact O-N 2.88Å; E286-I289 PolarHBondContact O-N 3.37Å; I289-R291 VanDerWaalsContact C-N 3.3Å; I289-R291 PolarHBondContact O-N 3.05Å; I289-S292 PolarHBondContact O-N 2.78Å; I289-C293 VanDerWaalsContact O-CB 3.28Å; I289-C293 WeakPolarHBondContact O-CB 3.45Å; I289-C293 PolarHBondContact O-N 3Å; I289-C293 PolarHBondContact O-SG 3.47Å; I289-C293 VanDerWaalsContact O-SG 3.34Å; I289-F304 HydrophobicContact CD1-CE1 4.24Å; I289-F304 HydrophobicContact CG2-CE1 4.4Å; I289-F304 HydrophobicContact CG2-CZ 4.17Å; I289-F309 HydrophobicContact CD1-CD1 3.6Å; I289-F309 HydrophobicContact CD1-CE1 3.4Å; I289-F309 VanDerWaalsContact CD1-CE1 3.4Å; I289-L331 HydrophobicContact CG2-CD1 4.16Å; I289-L331 HydrophobicContact CG2-CD2 3.76Å
290V81.4Confident82.8Confident21 Ų2163.7 Ų63.713%0.12731%0.305CS..Hα-helixtrans-58.7-42-179165.20000111.7E286 R294 L334E286-V290 HydrophobicContact CG-CG2 4.22Å; E286-V290 WeakPolarHBondContact O-CB 3.35Å; E286-V290 WeakPolarHBondContact O-CG2 3.17Å; E286-V290 PolarHBondContact O-N 3.37Å; V290-R294 PolarHBondContact O-N 3.34Å; V290-L334 HydrophobicContact CB-CD1 4.35Å; V290-L334 HydrophobicContact CG1-CD1 3.79Å; V290-L334 HydrophobicContact CG2-CD1 4.38Å
291R82.3Confident82.7Confident175 Ų17565.4 Ų65.466%0.6631%0.314SS*.Hα-helixtrans-65.3-44.6177.1-77.2176.8175.3173.60.2112.1L287 Q288 I289L287-R291 WeakPolarHBondContact O-CB 3.2Å; L287-R291 VanDerWaalsContact O-CG 3.25Å; L287-R291 WeakPolarHBondContact O-CG 3.21Å; L287-R291 PolarHBondContact O-N 3.46Å; L287-R291 VanDerWaalsContact O-N 3.11Å; Q288-R291 PolarHBondContact O-N 3.2Å; I289-R291 VanDerWaalsContact C-N 3.3Å; I289-R291 PolarHBondContact O-N 3.05Å
292S82.5Confident82.8Confident15 Ų1563.5 Ų63.511%0.10530%0.298CS..Hα-helixtrans-70.9-44.6-179.4-71.80000112.2L265 Q288 I289 R294 M295 L296L265-S292 PolarHBondContact O-OG 3.12Å; Q288-S292 WeakPolarHBondContact O-CB 3.22Å; Q288-S292 PolarHBondContact O-N 3.42Å; Q288-S292 PolarHBondContact O-OG 3.22Å; I289-S292 PolarHBondContact O-N 2.78Å; S292-R294 VanDerWaalsContact C-N 3.29Å; S292-R294 PolarHBondContact O-N 2.89Å; S292-M295 PolarHBondContact O-N 3.08Å; S292-M295 VanDerWaalsContact O-N 3.08Å; S292-L296 WeakPolarHBondContact O-CG 3.35Å
293C81.3Confident83Confident2 Ų265.9 Ų65.91%0.01431%0.308CS..Hα-helixtrans-61.4-33.5178.6-72.80000113I289 M295 L296 L331 L335I289-C293 VanDerWaalsContact O-CB 3.28Å; I289-C293 WeakPolarHBondContact O-CB 3.45Å; I289-C293 PolarHBondContact O-N 3Å; I289-C293 PolarHBondContact O-SG 3.47Å; I289-C293 VanDerWaalsContact O-SG 3.34Å; C293-M295 PolarHBondContact O-N 3.38Å; C293-M295 VanDerWaalsContact O-N 3.12Å; C293-L296 PolarHBondContact O-N 3.13Å; C293-L331 HydrophobicContact CB-CD2 4.01Å; C293-L335 HydrophobicContact CB-CD1 3.91Å; C293-L335 HydrophobicContact CB-CG 4.43Å
294R81.3Confident83.2Confident143 Ų14361.7 Ų61.754%0.5428%0.282SS..THydrogen-bonded Turntrans-56.4-30.1175.2-175.3-179.2-70.4179.2-3.5113.1V290 S292 L334V290-R294 PolarHBondContact O-N 3.34Å; S292-R294 VanDerWaalsContact C-N 3.29Å; S292-R294 PolarHBondContact O-N 2.89Å; R294-L334 HydrophobicContact CB-CD2 4.44Å
295M78.7Confident83.5Confident123 Ų12365.2 Ų65.261%0.60630%0.301SS*.THydrogen-bonded Turntrans-90.4-10.6-178.9-57-58.6-68.700112.7S292 C293 R297S292-M295 PolarHBondContact O-N 3.08Å; S292-M295 VanDerWaalsContact O-N 3.08Å; C293-M295 PolarHBondContact O-N 3.38Å; C293-M295 VanDerWaalsContact O-N 3.12Å; M295-R297 PolarHBondContact O-N 3.29Å
296L81.3Confident83.7Confident11 Ų1167.2 Ų67.26%0.05831%0.309CS..  trans-10051.4-174.3-65.1174.1000112.2A268 L274 L277 S292 C293 G298 L299 L335A268-L296 HydrophobicContact CB-CD1 4.32Å; A268-L296 HydrophobicContact CB-CD2 3.97Å; A268-L296 WeakPolarHBondContact O-CD2 3.42Å; L274-L296 HydrophobicContact CD2-CD2 4.35Å; L277-L296 HydrophobicContact CD2-CD1 3.88Å; S292-L296 WeakPolarHBondContact O-CG 3.35Å; C293-L296 PolarHBondContact O-N 3.13Å; L296-G298 PolarHBondContact O-N 3.12Å; L296-G298 VanDerWaalsContact O-N 3.14Å; L296-L299 HydrophobicContact CB-CB 4.38Å; L296-L299 WeakPolarHBondContact O-CB 3.49Å; L296-L299 PolarHBondContact O-N 2.87Å; L296-L299 VanDerWaalsContact O-N 3.17Å; L296-L335 WeakPolarHBondContact O-CD2 3.48Å
297R74.3Confident84.1Confident217 Ų21765 Ų6582%0.81930%0.299SS*.THydrogen-bonded Turntrans-66.3-16.2-173.3-62.4-172.2-179.6-166.9-0.3115.1M295M295-R297 PolarHBondContact O-N 3.29Å
298G80.1Confident84.4Confident52 Ų5263.6 Ų63.654%0.53629%0.293SS..THydrogen-bonded Turntrans-86.9-4177.300000114.8L296L296-G298 PolarHBondContact O-N 3.12Å; L296-G298 VanDerWaalsContact O-N 3.14Å
299L86.9Confident84.6Confident7 Ų759.6 Ų59.64%0.03727%0.274CS..  trans-72.9130.8-172.2-159.374.9000111.7L274 K275 L277 L296 L302 L335 C338L274-L299 HydrophobicContact CD2-CD1 4.16Å; L274-L299 HydrophobicContact CG-CD1 4.12Å; K275-L299 WeakPolarHBondContact O-CD1 3.38Å; L277-L299 HydrophobicContact CB-CD1 3.79Å; L277-L299 HydrophobicContact CB-CD2 4.06Å; L296-L299 HydrophobicContact CB-CB 4.38Å; L296-L299 WeakPolarHBondContact O-CB 3.49Å; L296-L299 PolarHBondContact O-N 2.87Å; L296-L299 VanDerWaalsContact O-N 3.17Å; L299-L302 HydrophobicContact CD2-CB 3.79Å; L299-L302 HydrophobicContact CD2-CD1 4.08Å; L299-L302 HydrophobicContact CD2-CD2 4.45Å; L299-L302 HydrophobicContact CD2-CG 4.33Å; L299-L335 HydrophobicContact CD2-CD1 4.26Å; L299-C338 WeakPolarHBondContact O-CB 3.29Å
300R89.1Confident84.6Confident165 Ų16563.4 Ų63.462%0.62329%0.292SS*.SBendtrans-102.4-28.1178.6-62.7-175.1-179.5-166.9-2.6112.8K275 C338 S339K275-R300 PolarHBondContact O-N 2.94Å; R300-C338 VanDerWaalsContact C-SG 3.57Å; R300-C338 CarbonylContact O-C 3.53Å; R300-C338 WeakPolarHBondContact O-CA 3.25Å; R300-S339 PolarHBondContact O-N 3.32Å
301Q90.8Very high83.9Confident65 Ų6564.8 Ų64.830%0.30430%0.302SS..EExtended strand (participates in β ladder)trans-142.4129.9-178.2-172.7166.9-5.200110.3K275 C276 L277 E303 S339K275-Q301 PolarHBondContact O-N 3.41Å; K275-Q301 VanDerWaalsContact O-N 3.1Å; C276-Q301 WeakPolarHBondContact CA-O 3.27Å; C276-Q301 HydrophobicContact CB-CB 4.31Å; L277-Q301 PolarHBondContact N-O 2.92Å; Q301-E303 HydrophobicContact CG-CG 4Å; Q301-E303 PolarHBondContact NE2-OE1 2.96Å; Q301-S339 WeakPolarHBondContact CA-O 3.24Å
302L90.6Very high82.8Confident0 Ų064 Ų640%030%0.299CS..EExtended strand (participates in β ladder)trans-127.9115174.9-178.459.3000108.3L277 L299 F304 L335 S339 L340 V341L277-L302 HydrophobicContact CB-CD1 3.82Å; L277-L302 HydrophobicContact CD2-CD1 3.78Å; L277-L302 HydrophobicContact CG-CD1 3.8Å; L277-L302 WeakPolarHBondContact O-CA 3.29Å; L299-L302 HydrophobicContact CD2-CB 3.79Å; L299-L302 HydrophobicContact CD2-CD1 4.08Å; L299-L302 HydrophobicContact CD2-CD2 4.45Å; L299-L302 HydrophobicContact CD2-CG 4.33Å; L302-F304 HydrophobicContact CD1-CE2 4.43Å; L302-F304 HydrophobicContact CD1-CZ 4.28Å; L302-F304 HydrophobicContact CD2-CE2 3.7Å; L302-F304 HydrophobicContact CD2-CZ 3.61Å; L302-F304 HydrophobicContact CG-CD2 4.39Å; L302-F304 HydrophobicContact CG-CE2 3.59Å; L302-F304 HydrophobicContact CG-CZ 3.79Å; L302-L335 HydrophobicContact CD2-CD1 4.31Å; L302-S339 PolarHBondContact N-O 2.75Å; L302-L340 HydrophobicContact CB-CD2 3.76Å; L302-L340 HydrophobicContact CD2-CD2 3.9Å; L302-L340 HydrophobicContact CG-CD2 4.27Å; L302-L340 WeakPolarHBondContact O-CA 3.47Å; L302-V341 PolarHBondContact O-N 3.32Å
303E91.3Very high81.5Confident59 Ų5971.2 Ų71.228%0.27633%0.331SS..EExtended strand (participates in β ladder)trans-112.5136.4-180-53.1-166154.500111.2L277 H278 L279 Q301 V341L277-E303 PolarHBondContact O-N 3.29Å; H278-E303 VanDerWaalsContact CD2-CG 3.44Å; H278-E303 WeakPolarHBondContact CD2-CG 3.38Å; H278-E303 IonicContact CD2-OE2 3.66Å; H278-E303 PolarHBondContact CD2-OE2 3.49Å; H278-E303 IonicContact CE1-OE2 3.49Å; H278-E303 IonicContact CG-OE2 2.9Å; H278-E303 IonicContact NE2-OE2 2.61Å; L279-E303 PolarHBondContact N-O 3.19Å; Q301-E303 HydrophobicContact CG-CG 4Å; Q301-E303 PolarHBondContact NE2-OE1 2.96Å; E303-V341 CarbonylContact C-O 3.48Å; E303-V341 WeakPolarHBondContact CA-O 3.43Å; E303-V341 HydrophobicContact CB-CB 4.42Å; E303-V341 HydrophobicContact CG-CB 4.05Å; E303-V341 HydrophobicContact CG-CG2 4.38Å
304F89.8Confident79.8Confident0 Ų076 Ų760%036%0.364CS..EExtended strand (participates in β ladder)trans-115.9123.6171.8-58.4-91.4000108.5L279 L284 I289 L302 V307 F309 L331 V341 F342 T343 C345L279-F304 HydrophobicContact CB-CD1 4.23Å; L279-F304 HydrophobicContact CD1-CD1 4.15Å; L279-F304 HydrophobicContact CD1-CE1 3.75Å; L279-F304 WeakPolarHBondContact O-CA 3.26Å; L284-F304 HydrophobicContact CD1-CE1 4.45Å; I289-F304 HydrophobicContact CD1-CE1 4.24Å; I289-F304 HydrophobicContact CG2-CE1 4.4Å; I289-F304 HydrophobicContact CG2-CZ 4.17Å; L302-F304 HydrophobicContact CD1-CE2 4.43Å; L302-F304 HydrophobicContact CD1-CZ 4.28Å; L302-F304 HydrophobicContact CD2-CE2 3.7Å; L302-F304 HydrophobicContact CD2-CZ 3.61Å; L302-F304 HydrophobicContact CG-CD2 4.39Å; L302-F304 HydrophobicContact CG-CE2 3.59Å; L302-F304 HydrophobicContact CG-CZ 3.79Å; F304-V307 HydrophobicContact CB-CB 4.29Å; F304-V307 HydrophobicContact CB-CG2 3.95Å; F304-V307 HydrophobicContact CD1-CG1 4.36Å; F304-V307 HydrophobicContact CD1-CG2 4.21Å; F304-F309 HydrophobicContact CB-CZ 4.38Å; F304-F309 AromaticContact CD1-CE1 4Å; F304-F309 HydrophobicContact CD1-CE1 4Å; F304-F309 AromaticContact CD1-CZ 3.74Å; F304-F309 HydrophobicContact CD1-CZ 3.74Å; F304-F309 AromaticContact CE1-CE1 3.99Å; F304-F309 HydrophobicContact CE1-CE1 3.99Å; F304-F309 HydrophobicContact CE1-CZ 4.1Å; F304-F309 HydrophobicContact CG-CZ 4.03Å; F304-L331 HydrophobicContact CE2-CD1 4.13Å; F304-L331 HydrophobicContact CZ-CD1 3.96Å; F304-V341 PolarHBondContact N-O 2.89Å; F304-F342 HydrophobicContact CB-CD1 3.95Å; F304-F342 HydrophobicContact CB-CE1 4.39Å; F304-F342 AromaticContact CD2-CD1 3.65Å; F304-F342 HydrophobicContact CD2-CD1 3.65Å; F304-F342 AromaticContact CD2-CE1 3.33Å; F304-F342 HydrophobicContact CD2-CE1 3.33Å; F304-F342 HydrophobicContact CD2-CE2 4.35Å; F304-F342 HydrophobicContact CD2-CG 4.29Å; F304-F342 AromaticContact CD2-CZ 3.72Å; F304-F342 HydrophobicContact CD2-CZ 3.72Å; F304-F342 HydrophobicContact CE2-CD1 4.39Å; F304-F342 AromaticContact CE2-CE1 3.63Å; F304-F342 HydrophobicContact CE2-CE1 3.63Å; F304-F342 AromaticContact CE2-CZ 3.69Å; F304-F342 HydrophobicContact CE2-CZ 3.69Å; F304-F342 AromaticContact CG-CD1 3.99Å; F304-F342 HydrophobicContact CG-CD1 3.99Å; F304-F342 AromaticContact CG-CE1 3.92Å; F304-F342 HydrophobicContact CG-CE1 3.92Å; F304-F342 HydrophobicContact CZ-CE1 4.42Å; F304-T343 PolarHBondContact O-N 3.18Å; F304-C345 VanDerWaalsContact CB-SG 3.6Å; F304-C345 PolarHBondContact O-SG 3.29Å
305L90.3Very high78.1Confident77 Ų7771.8 Ų71.840%0.40336%0.355SS..EExtended strand (participates in β ladder)trans-127.2121.7179.2177.168.5000110.2L279 W280 A281 V307 T343L279-L305 PolarHBondContact O-N 2.92Å; W280-L305 CarbonylContact C-O 3.51Å; W280-L305 WeakPolarHBondContact CA-O 3.16Å; W280-L305 HydrophobicContact CB-CB 4.02Å; W280-L305 HydrophobicContact CB-CD2 4.31Å; W280-L305 HydrophobicContact CB-CG 4.47Å; A281-L305 PolarHBondContact N-O 3.44Å; L305-V307 PolarHBondContact O-N 3.36Å; L305-T343 WeakPolarHBondContact CA-O 3.33Å; L305-T343 HydrophobicContact CD1-CG2 3.6Å
306D88Confident76.4Confident71 Ų7171.3 Ų71.338%0.3836%0.362SS..SBendtrans54.641.5-179-55.5-36.5000112.4A281 T343 N344A281-D306 VanDerWaalsContact CA-O 3.28Å; A281-D306 WeakPolarHBondContact CA-O 3.48Å; A281-D306 PolarHBondContact N-O 3.41Å; D306-T343 PolarHBondContact N-O 3.02Å; D306-N344 WeakPolarHBondContact CA-O 3.29Å; D306-N344 WeakPolarHBondContact OD1-CB 3.31Å; D306-N344 PolarHBondContact OD1-ND2 2.94Å
307V85.6Confident74.9Confident0 Ų074.7 Ų74.70%039%0.391CS..  trans-99.5132.3-178.2178.80000110.2L279 C282 L284 F304 L305 F309 C345 S346L279-V307 WeakPolarHBondContact O-CG2 3.33Å; C282-V307 WeakPolarHBondContact O-CA 3.3Å; L284-V307 HydrophobicContact CB-CG1 4.46Å; L284-V307 HydrophobicContact CD1-CG1 3.95Å; L284-V307 HydrophobicContact CG-CG1 4.24Å; F304-V307 HydrophobicContact CB-CB 4.29Å; F304-V307 HydrophobicContact CB-CG2 3.95Å; F304-V307 HydrophobicContact CD1-CG1 4.36Å; F304-V307 HydrophobicContact CD1-CG2 4.21Å; L305-V307 PolarHBondContact O-N 3.36Å; V307-F309 HydrophobicContact CB-CZ 4.25Å; V307-F309 HydrophobicContact CG1-CD1 4.14Å; V307-F309 HydrophobicContact CG1-CE1 3.7Å; V307-F309 HydrophobicContact CG1-CE2 4.22Å; V307-F309 HydrophobicContact CG1-CZ 3.75Å; V307-C345 CarbonylContact O-C 3.51Å; V307-C345 VanDerWaalsContact O-CA 3.24Å; V307-C345 WeakPolarHBondContact O-CA 3.25Å; V307-C345 WeakPolarHBondContact O-CB 3.35Å; V307-S346 PolarHBondContact O-N 3.25Å
308T85.1Confident73.6Confident38 Ų3873.4 Ų73.423%0.23339%0.394CS..EExtended strand (participates in β ladder)trans-104.2118.1172.3-57.80000110.1C282 T283 L284 S346 Q348C282-T308 PolarHBondContact O-N 2.94Å; T283-T308 CarbonylContact C-O 3.56Å; T283-T308 VanDerWaalsContact CA-O 3.27Å; T283-T308 WeakPolarHBondContact CA-O 3.39Å; L284-T308 PolarHBondContact N-O 3.2Å; T308-S346 CarbonylContact C-O 3.56Å; T308-S346 VanDerWaalsContact CA-O 3.27Å; T308-S346 WeakPolarHBondContact CA-O 3.37Å; T308-S346 PolarHBondContact OG1-OG 3.06Å; T308-Q348 HydrophobicContact CG2-CB 3.74Å; T308-Q348 HydrophobicContact CG2-CG 4.42Å
309F83.5Confident72.1Confident9 Ų975.8 Ų75.84%0.03939%0.392CS..EExtended strand (participates in β ladder)trans-88.7131179.2-60.3-74.2000111.3L284 I289 F304 V307 L327 F342 C345 S346 V347 Q348L284-F309 HydrophobicContact CB-CD1 4.47Å; L284-F309 CarbonylContact O-C 3.56Å; L284-F309 VanDerWaalsContact O-CA 3.32Å; L284-F309 WeakPolarHBondContact O-CA 3.39Å; I289-F309 HydrophobicContact CD1-CD1 3.6Å; I289-F309 HydrophobicContact CD1-CE1 3.4Å; I289-F309 VanDerWaalsContact CD1-CE1 3.4Å; F304-F309 HydrophobicContact CB-CZ 4.38Å; F304-F309 AromaticContact CD1-CE1 4Å; F304-F309 HydrophobicContact CD1-CE1 4Å; F304-F309 AromaticContact CD1-CZ 3.74Å; F304-F309 HydrophobicContact CD1-CZ 3.74Å; F304-F309 AromaticContact CE1-CE1 3.99Å; F304-F309 HydrophobicContact CE1-CE1 3.99Å; F304-F309 HydrophobicContact CE1-CZ 4.1Å; F304-F309 HydrophobicContact CG-CZ 4.03Å; V307-F309 HydrophobicContact CB-CZ 4.25Å; V307-F309 HydrophobicContact CG1-CD1 4.14Å; V307-F309 HydrophobicContact CG1-CE1 3.7Å; V307-F309 HydrophobicContact CG1-CE2 4.22Å; V307-F309 HydrophobicContact CG1-CZ 3.75Å; F309-L327 HydrophobicContact CD1-CD1 4.14Å; F309-L327 HydrophobicContact CD1-CD2 4.5Å; F309-L327 HydrophobicContact CE1-CD2 4.19Å; F309-L327 HydrophobicContact CZ-CD2 4.35Å; F309-F342 HydrophobicContact CE2-CD1 4.13Å; F309-F342 HydrophobicContact CE2-CE1 4.15Å; F309-F342 HydrophobicContact CZ-CD1 4.1Å; F309-F342 AromaticContact CZ-CE1 3.83Å; F309-F342 HydrophobicContact CZ-CE1 3.83Å; F309-C345 HydrophobicContact CE2-CB 3.9Å; F309-S346 PolarHBondContact N-O 3.13Å; F309-V347 WeakPolarHBondContact O-CA 3.41Å; F309-Q348 PolarHBondContact O-N 3.34Å
310Q81.8Confident70.3Confident81 Ų8181.8 Ų81.838%0.37942%0.419SS..EExtended strand (participates in β ladder)trans-95.2118.9173.8-72.1-177.7-18.100109.9L284 E286 Q348L284-Q310 PolarHBondContact O-N 2.97Å; E286-Q310 PolarHBondContact N-O 3.13Å; Q310-Q348 HydrophobicContact CG-CB 4.34Å; Q310-Q348 VanDerWaalsContact CG-OE1 3.28Å
311P66.8Low68.2Low50 Ų5082.8 Ų82.833%0.32543%0.431SS..PPolyproline II helixtrans-70160-179.826.8-31.8000112.2Q313 V347 Q348P311-Q313 VanDerWaalsContact C-N 3.32Å; P311-Q313 PolarHBondContact O-N 2.82Å; P311-V347 HydrophobicContact CG-CG1 4.46Å; P311-Q348 WeakPolarHBondContact CD-O 3.14Å
312R60.9Low66.3Low159 Ų15985.5 Ų85.560%0.644%0.444SS*.SBendtrans-66.9-25.3-177-90.9-179.8169.3-170.21.7114.5L287L287-R312 HydrophobicContact CD1-CG 4.21Å; L287-R312 HydrophobicContact CG-CG 4.22Å
313Q53.5Low64.6Low167 Ų16788.2 Ų88.278%0.7846%0.456SS*.SBendtrans-174.3153.3180-103158.216.400108.9P311 P315P311-Q313 VanDerWaalsContact C-N 3.32Å; P311-Q313 PolarHBondContact O-N 2.82Å; Q313-P315 WeakPolarHBondContact O-CD 3.27Å
314S47.2Very low62.8Low102 Ų10288.3 Ų88.371%0.71346%0.457SS*.  trans-61.9115.517640.10000111.4
315P44.7Very low61.4Low54 Ų5489.6 Ų89.635%0.35147%0.47SS..  trans-97.9159.4169.422.6-3.7000110.8Q313Q313-P315 WeakPolarHBondContact O-CD 3.27Å
316P43.1Very low60.4Low114 Ų11486.9 Ų86.974%0.7446%0.46SS*.  trans-60153.1170.226.3-32000111.1E318P316-E318 PolarHBondContact O-N 3.45Å
317A50.5Low59.8Low82 Ų8284 Ų8468%0.67845%0.445SS*.THydrogen-bonded Turntrans-64.720.9-160.400000118
318E46.8Very low59.3Low189 Ų18988.9 Ų88.988%0.88346%0.464SS*.THydrogen-bonded Turntrans-118.6-4.1-171.4-65.3-173.5170.600115.1P316P316-E318 PolarHBondContact O-N 3.45Å
319E48Very low58.9Low103 Ų10395 Ų9548%0.48148%0.482SS..  trans-108.532.3-178.1-67.6-176177.800114.2
320E48.3Very low58.7Low132 Ų13297.1 Ų97.162%0.61750%0.498SS*.THydrogen-bonded Turntrans-73.4-31.7-169.8-62.1-175.6161.200114.2
321Q46.6Very low58.6Low187 Ų18793.2 Ų93.287%0.87448%0.48SS*.THydrogen-bonded Turntrans-91.2-17.8178.7-70.8-177.1-5.900113.4
322E50.2Low59.2Low121 Ų12193.1 Ų93.157%0.56548%0.483SS*.Hα-helixtrans-81.3-23.8-178.5-73.1-160.6138.100113.6G325 G326E322-G325 CarbonylContact O-C 3.42Å; E322-G325 PolarHBondContact O-N 3.32Å; E322-G326 PolarHBondContact O-N 2.97Å
323Q55.2Low60Low57 Ų5788.7 Ų88.727%0.26649%0.487SS..Hα-helixtrans-73.8-42.9-175-74.6-179.89.400114G325 G326 L327Q323-G325 PolarHBondContact O-N 3.19Å; Q323-G326 WeakPolarHBondContact O-CA 3.38Å; Q323-G326 PolarHBondContact O-N 3.07Å; Q323-L327 PolarHBondContact O-N 3.06Å
324E53.6Low61.2Low62 Ų6283.1 Ų83.129%0.2946%0.462SS..Hα-helixtrans-62.5-37.7173.1-159.1-172.5163.600109.9R328E324-R328 WeakPolarHBondContact O-CB 3.48Å; E324-R328 WeakPolarHBondContact O-CG 3.39Å; E324-R328 PolarHBondContact O-N 3.19Å; E324-R328 IonicContact OE1-CZ 3.45Å; E324-R328 IonicContact OE1-NE 3.05Å; E324-R328 IonicContact OE1-NH2 2.71Å; E324-R328 PolarHBondContact OE1-NH2 3.48Å
325G59.6Low62.8Low26 Ų2678.6 Ų78.627%0.26843%0.43SS..Hα-helixtrans-64.1-35.1170.400000113.7E322 Q323 R329E322-G325 CarbonylContact O-C 3.42Å; E322-G325 PolarHBondContact O-N 3.32Å; Q323-G325 PolarHBondContact O-N 3.19Å; G325-R329 VanDerWaalsContact O-CB 3.28Å; G325-R329 WeakPolarHBondContact O-CB 3.27Å; G325-R329 WeakPolarHBondContact O-CG 3.42Å; G325-R329 PolarHBondContact O-N 3.2Å; G325-R329 PolarHBondContact O-NE 2.95Å
326G70.4Confident64.1Low20 Ų2081.3 Ų81.321%0.20645%0.447CS..Hα-helixtrans-68.7-4417700000112.8E322 Q323 R329 S330E322-G326 PolarHBondContact O-N 2.97Å; Q323-G326 WeakPolarHBondContact O-CA 3.38Å; Q323-G326 PolarHBondContact O-N 3.07Å; G326-R329 PolarHBondContact O-N 2.89Å; G326-S330 WeakPolarHBondContact O-CB 3.27Å; G326-S330 PolarHBondContact O-N 3.25Å; G326-S330 PolarHBondContact O-OG 3.05Å
327L73.9Confident65.8Low10 Ų1081 Ų815%0.05245%0.448CS..Hα-helixtrans-66.8-44.6175.6-170135.2000110.9E286 F309 Q323 R329 S330 L331 F342E286-L327 HydrophobicContact CB-CD1 3.78Å; E286-L327 HydrophobicContact CG-CD1 3.64Å; E286-L327 HydrophobicContact CG-CG 4.47Å; F309-L327 HydrophobicContact CD1-CD1 4.14Å; F309-L327 HydrophobicContact CD1-CD2 4.5Å; F309-L327 HydrophobicContact CE1-CD2 4.19Å; F309-L327 HydrophobicContact CZ-CD2 4.35Å; Q323-L327 PolarHBondContact O-N 3.06Å; L327-R329 PolarHBondContact O-N 3.39Å; L327-S330 PolarHBondContact O-N 3.35Å; L327-L331 HydrophobicContact CD2-CD1 3.58Å; L327-L331 HydrophobicContact CD2-CG 4.32Å; L327-L331 HydrophobicContact CG-CD1 4.34Å; L327-L331 WeakPolarHBondContact O-CB 3.4Å; L327-L331 VanDerWaalsContact O-CG 3.3Å; L327-L331 WeakPolarHBondContact O-CG 3.39Å; L327-L331 PolarHBondContact O-N 3.07Å; L327-F342 HydrophobicContact CD2-CE1 4.22Å; L327-F342 HydrophobicContact CD2-CZ 4.39Å
328R75.9Confident67.5Low104 Ų10477.9 Ų77.939%0.39242%0.421SS..Hα-helixtrans-58.1-46.5173.5-75178.1-176-161.88.2112.2E324 L331 A332 F342E324-R328 WeakPolarHBondContact O-CB 3.48Å; E324-R328 WeakPolarHBondContact O-CG 3.39Å; E324-R328 PolarHBondContact O-N 3.19Å; E324-R328 IonicContact OE1-CZ 3.45Å; E324-R328 IonicContact OE1-NE 3.05Å; E324-R328 IonicContact OE1-NH2 2.71Å; E324-R328 PolarHBondContact OE1-NH2 3.48Å; R328-L331 PolarHBondContact O-N 3.41Å; R328-A332 VanDerWaalsContact O-CB 3.26Å; R328-A332 WeakPolarHBondContact O-CB 3.38Å; R328-A332 PolarHBondContact O-N 3.13Å; R328-F342 HydrophobicContact CG-CD2 4.2Å; R328-F342 HydrophobicContact CG-CE1 4.46Å; R328-F342 HydrophobicContact CG-CE2 3.52Å; R328-F342 HydrophobicContact CG-CZ 3.67Å
329R76Confident69.4Low167 Ų16772.1 Ų72.163%0.6340%0.402SS*.Hα-helixtrans-62.4-43.7176.3-80.2-178.1-73.1175.5-4.4112G325 G326 L327 A332 G333G325-R329 VanDerWaalsContact O-CB 3.28Å; G325-R329 WeakPolarHBondContact O-CB 3.27Å; G325-R329 WeakPolarHBondContact O-CG 3.42Å; G325-R329 PolarHBondContact O-N 3.2Å; G325-R329 PolarHBondContact O-NE 2.95Å; G326-R329 PolarHBondContact O-N 2.89Å; L327-R329 PolarHBondContact O-N 3.39Å; R329-A332 PolarHBondContact O-N 2.98Å; R329-G333 PolarHBondContact O-N 2.96Å
330S79.5Confident71.2Confident52 Ų5269.3 Ų69.336%0.36439%0.39SS..Hα-helixtrans-63.2-43.4178.2-64.30000111.9G326 L327 G333 L334G326-S330 WeakPolarHBondContact O-CB 3.27Å; G326-S330 PolarHBondContact O-N 3.25Å; G326-S330 PolarHBondContact O-OG 3.05Å; L327-S330 PolarHBondContact O-N 3.35Å; S330-G333 PolarHBondContact O-N 3.42Å; S330-L334 WeakPolarHBondContact O-CD1 3.34Å; S330-L334 VanDerWaalsContact O-CG 3.27Å; S330-L334 WeakPolarHBondContact O-CG 3.43Å; S330-L334 PolarHBondContact O-N 3.01Å; S330-L334 VanDerWaalsContact O-N 3.13Å
331L80.8Confident73.1Confident0 Ų065.2 Ų65.20%037%0.373CS..Hα-helixtrans-68.8-40.4176.5-67.8178.6000112.2I289 C293 F304 L327 R328 G333 L334 L335 L340 F342I289-L331 HydrophobicContact CG2-CD1 4.16Å; I289-L331 HydrophobicContact CG2-CD2 3.76Å; C293-L331 HydrophobicContact CB-CD2 4.01Å; F304-L331 HydrophobicContact CE2-CD1 4.13Å; F304-L331 HydrophobicContact CZ-CD1 3.96Å; L327-L331 HydrophobicContact CD2-CD1 3.58Å; L327-L331 HydrophobicContact CD2-CG 4.32Å; L327-L331 HydrophobicContact CG-CD1 4.34Å; L327-L331 WeakPolarHBondContact O-CB 3.4Å; L327-L331 VanDerWaalsContact O-CG 3.3Å; L327-L331 WeakPolarHBondContact O-CG 3.39Å; L327-L331 PolarHBondContact O-N 3.07Å; R328-L331 PolarHBondContact O-N 3.41Å; L331-G333 VanDerWaalsContact C-N 3.29Å; L331-G333 PolarHBondContact O-N 2.85Å; L331-L334 PolarHBondContact O-N 2.93Å; L331-L334 VanDerWaalsContact O-N 3.14Å; L331-L335 PolarHBondContact O-N 3.19Å; L331-L340 HydrophobicContact CB-CD1 3.66Å; L331-F342 HydrophobicContact CD1-CZ 4.37Å
332A77.9Confident75Confident48 Ų4857.9 Ų57.940%0.39734%0.339SS..Hα-helixtrans-61.7-37.2175.400000111.9R328 R329 L335 P336 L340R328-A332 VanDerWaalsContact O-CB 3.26Å; R328-A332 WeakPolarHBondContact O-CB 3.38Å; R328-A332 PolarHBondContact O-N 3.13Å; R329-A332 PolarHBondContact O-N 2.98Å; A332-L335 CarbonylContact O-C 3.43Å; A332-P336 WeakPolarHBondContact O-CA 3.34Å; A332-L340 HydrophobicContact CB-CD1 4.44Å
333G78.1Confident76.8Confident65 Ų6555.4 Ų55.467%0.6733%0.332SS*.Hα-helixtrans-68.4-33.1173.700000113.7R329 S330 L331R329-G333 PolarHBondContact O-N 2.96Å; S330-G333 PolarHBondContact O-N 3.42Å; L331-G333 VanDerWaalsContact C-N 3.29Å; L331-G333 PolarHBondContact O-N 2.85Å
334L79.5Confident78.2Confident51 Ų5158.8 Ų58.827%0.26735%0.352SS..Hα-helixtrans-81.4-30.3179.1-69.7165.5000113.1V290 R294 S330 L331V290-L334 HydrophobicContact CB-CD1 4.35Å; V290-L334 HydrophobicContact CG1-CD1 3.79Å; V290-L334 HydrophobicContact CG2-CD1 4.38Å; R294-L334 HydrophobicContact CB-CD2 4.44Å; S330-L334 WeakPolarHBondContact O-CD1 3.34Å; S330-L334 VanDerWaalsContact O-CG 3.27Å; S330-L334 WeakPolarHBondContact O-CG 3.43Å; S330-L334 PolarHBondContact O-N 3.01Å; S330-L334 VanDerWaalsContact O-N 3.13Å; L331-L334 PolarHBondContact O-N 2.93Å; L331-L334 VanDerWaalsContact O-N 3.14Å
335L81Confident79.6Confident7 Ų757.1 Ų57.14%0.03735%0.347CS..  trans-130.168.3-176.1-63.8174.6000110.2C293 L296 L299 L302 L331 A332 S337 C338C293-L335 HydrophobicContact CB-CD1 3.91Å; C293-L335 HydrophobicContact CB-CG 4.43Å; L296-L335 WeakPolarHBondContact O-CD2 3.48Å; L299-L335 HydrophobicContact CD2-CD1 4.26Å; L302-L335 HydrophobicContact CD2-CD1 4.31Å; L331-L335 PolarHBondContact O-N 3.19Å; A332-L335 CarbonylContact O-C 3.43Å; L335-S337 PolarHBondContact O-N 3.41Å; L335-S337 VanDerWaalsContact O-N 3.16Å; L335-C338 HydrophobicContact CB-CB 3.57Å; L335-C338 HydrophobicContact CD1-CB 4.38Å; L335-C338 WeakPolarHBondContact O-CB 3.25Å; L335-C338 PolarHBondContact O-N 3.18Å; L335-C338 VanDerWaalsContact O-N 3.09Å
336P71.7Confident80.6Confident110 Ų11058.7 Ų58.771%0.71435%0.354SS*.THydrogen-bonded Turntrans-65.1-22.9-172.125.5-35.1000113.9A332A332-P336 WeakPolarHBondContact O-CA 3.34Å
337S78.2Confident80.8Confident109 Ų10959.8 Ų59.876%0.76236%0.356SS*.THydrogen-bonded Turntrans-99.611.6179.2-50.40000113.3L335L335-S337 PolarHBondContact O-N 3.41Å; L335-S337 VanDerWaalsContact O-N 3.16Å
338C85.8Confident80.6Confident16 Ų1662.9 Ų62.911%0.10837%0.371CS..  trans-107.7131.2-174.6-170.20000111.5L299 R300 L335L299-C338 WeakPolarHBondContact O-CB 3.29Å; R300-C338 VanDerWaalsContact C-SG 3.57Å; R300-C338 CarbonylContact O-C 3.53Å; R300-C338 WeakPolarHBondContact O-CA 3.25Å; L335-C338 HydrophobicContact CB-CB 3.57Å; L335-C338 HydrophobicContact CD1-CB 4.38Å; L335-C338 WeakPolarHBondContact O-CB 3.25Å; L335-C338 PolarHBondContact O-N 3.18Å; L335-C338 VanDerWaalsContact O-N 3.09Å
339S87.1Confident79.5Confident68 Ų6862.3 Ų62.348%0.47638%0.378SS..EExtended strand (participates in β ladder)trans-76.2121.1168.8-174.70000109.7R300 Q301 L302R300-S339 PolarHBondContact O-N 3.32Å; Q301-S339 WeakPolarHBondContact CA-O 3.24Å; L302-S339 PolarHBondContact N-O 2.75Å
340L86.5Confident78.1Confident43 Ų4359.9 Ų59.923%0.22538%0.378CS..EExtended strand (participates in β ladder)trans-101.5121177.2-56179.2000109.7L302 L331 A332 F342L302-L340 HydrophobicContact CB-CD2 3.76Å; L302-L340 HydrophobicContact CD2-CD2 3.9Å; L302-L340 HydrophobicContact CG-CD2 4.27Å; L302-L340 WeakPolarHBondContact O-CA 3.47Å; L331-L340 HydrophobicContact CB-CD1 3.66Å; A332-L340 HydrophobicContact CB-CD1 4.44Å; L340-F342 HydrophobicContact CB-CE2 3.79Å
341V87.5Confident76.3Confident46 Ų4663.6 Ų63.628%0.27940%0.398SS..EExtended strand (participates in β ladder)trans-119.4128.1178.2-176.20000109.5L302 E303 F304L302-V341 PolarHBondContact O-N 3.32Å; E303-V341 CarbonylContact C-O 3.48Å; E303-V341 WeakPolarHBondContact CA-O 3.43Å; E303-V341 HydrophobicContact CB-CB 4.42Å; E303-V341 HydrophobicContact CG-CB 4.05Å; E303-V341 HydrophobicContact CG-CG2 4.38Å; F304-V341 PolarHBondContact N-O 2.89Å
342F86.7Confident74.2Confident34 Ų3474 Ų7415%0.14945%0.453CS..EExtended strand (participates in β ladder)trans-120.4120.7177.2-62.3-98.3000108.6F304 F309 L327 R328 L331 L340F304-F342 HydrophobicContact CB-CD1 3.95Å; F304-F342 HydrophobicContact CB-CE1 4.39Å; F304-F342 AromaticContact CD2-CD1 3.65Å; F304-F342 HydrophobicContact CD2-CD1 3.65Å; F304-F342 AromaticContact CD2-CE1 3.33Å; F304-F342 HydrophobicContact CD2-CE1 3.33Å; F304-F342 HydrophobicContact CD2-CE2 4.35Å; F304-F342 HydrophobicContact CD2-CG 4.29Å; F304-F342 AromaticContact CD2-CZ 3.72Å; F304-F342 HydrophobicContact CD2-CZ 3.72Å; F304-F342 HydrophobicContact CE2-CD1 4.39Å; F304-F342 AromaticContact CE2-CE1 3.63Å; F304-F342 HydrophobicContact CE2-CE1 3.63Å; F304-F342 AromaticContact CE2-CZ 3.69Å; F304-F342 HydrophobicContact CE2-CZ 3.69Å; F304-F342 AromaticContact CG-CD1 3.99Å; F304-F342 HydrophobicContact CG-CD1 3.99Å; F304-F342 AromaticContact CG-CE1 3.92Å; F304-F342 HydrophobicContact CG-CE1 3.92Å; F304-F342 HydrophobicContact CZ-CE1 4.42Å; F309-F342 HydrophobicContact CE2-CD1 4.13Å; F309-F342 HydrophobicContact CE2-CE1 4.15Å; F309-F342 HydrophobicContact CZ-CD1 4.1Å; F309-F342 AromaticContact CZ-CE1 3.83Å; F309-F342 HydrophobicContact CZ-CE1 3.83Å; L327-F342 HydrophobicContact CD2-CE1 4.22Å; L327-F342 HydrophobicContact CD2-CZ 4.39Å; R328-F342 HydrophobicContact CG-CD2 4.2Å; R328-F342 HydrophobicContact CG-CE1 4.46Å; R328-F342 HydrophobicContact CG-CE2 3.52Å; R328-F342 HydrophobicContact CG-CZ 3.67Å; L331-F342 HydrophobicContact CD1-CZ 4.37Å; L340-F342 HydrophobicContact CB-CE2 3.79Å
343T87.2Confident74.1Confident68 Ų6875.3 Ų75.342%0.41746%0.456SS..EExtended strand (participates in β ladder)trans-125.5121.6-179.6-53.60000108.8F304 L305 D306 C345F304-T343 PolarHBondContact O-N 3.18Å; L305-T343 WeakPolarHBondContact CA-O 3.33Å; L305-T343 HydrophobicContact CD1-CG2 3.6Å; D306-T343 PolarHBondContact N-O 3.02Å; T343-C345 PolarHBondContact O-N 3.44Å; T343-C345 PolarHBondContact O-SG 2.68Å; T343-C345 VanDerWaalsContact O-SG 3.41Å
344N85Confident73.9Confident129 Ų12975.8 Ų75.869%0.6945%0.445SS*.SBendtrans49.841.6178.6-163.337.2000113.9D306D306-N344 WeakPolarHBondContact CA-O 3.29Å; D306-N344 WeakPolarHBondContact OD1-CB 3.31Å; D306-N344 PolarHBondContact OD1-ND2 2.94Å
345C82.6Confident73.5Confident26 Ų2677.2 Ų77.218%0.17646%0.455CS..  trans-91.9150.6178.4-62.10000110.9F304 V307 F309 T343F304-C345 VanDerWaalsContact CB-SG 3.6Å; F304-C345 PolarHBondContact O-SG 3.29Å; V307-C345 CarbonylContact O-C 3.51Å; V307-C345 VanDerWaalsContact O-CA 3.24Å; V307-C345 WeakPolarHBondContact O-CA 3.25Å; V307-C345 WeakPolarHBondContact O-CB 3.35Å; F309-C345 HydrophobicContact CE2-CB 3.9Å; T343-C345 PolarHBondContact O-N 3.44Å; T343-C345 PolarHBondContact O-SG 2.68Å; T343-C345 VanDerWaalsContact O-SG 3.41Å
346S81Confident73.1Confident59 Ų5981.3 Ų81.341%0.41348%0.479SS..EExtended strand (participates in β ladder)trans-135.1161.8177.963.30000111.6V307 T308 F309V307-S346 PolarHBondContact O-N 3.25Å; T308-S346 CarbonylContact C-O 3.56Å; T308-S346 VanDerWaalsContact CA-O 3.27Å; T308-S346 WeakPolarHBondContact CA-O 3.37Å; T308-S346 PolarHBondContact OG1-OG 3.06Å; F309-S346 PolarHBondContact N-O 3.13Å
347V75.6Confident73.2Confident43 Ų4379.5 Ų79.526%0.26147%0.465SS..EExtended strand (participates in β ladder)trans-104.8131.8169.9-177.80000107.6F309 P311 V349F309-V347 WeakPolarHBondContact O-CA 3.41Å; P311-V347 HydrophobicContact CG-CG1 4.46Å; V347-V349 PolarHBondContact O-N 2.9Å; V347-V349 VanDerWaalsContact O-N 3.09Å
348Q68.8Low72.9Confident76 Ų7677.5 Ų77.536%0.35545%0.445SS..  trans-70.8105.2176.9-162.8173.4-12.400108.5T308 F309 Q310 P311T308-Q348 HydrophobicContact CG2-CB 3.74Å; T308-Q348 HydrophobicContact CG2-CG 4.42Å; F309-Q348 PolarHBondContact O-N 3.34Å; Q310-Q348 HydrophobicContact CG-CB 4.34Å; Q310-Q348 VanDerWaalsContact CG-OE1 3.28Å; P311-Q348 WeakPolarHBondContact CD-O 3.14Å
349V53.5Low71.9Confident91 Ų9181.9 Ų81.955%0.55247%0.469SS*.  trans-84114.2171.8-175.20000106.8V347 V351V347-V349 PolarHBondContact O-N 2.9Å; V347-V349 VanDerWaalsContact O-N 3.09Å; V349-V351 VanDerWaalsContact C-N 3.32Å; V349-V351 HydrophobicContact CG1-CG2 4.31Å; V349-V351 PolarHBondContact O-N 2.88Å
350N47.2Very low70.8Confident117 Ų11783 Ų8363%0.62647%0.468SS*.  trans-66.7100.8164.9-86.3-4.3000106.3D352N350-D352 PolarHBondContact O-N 2.62Å
351V39.8Very low69.4Low130 Ų13086.3 Ų86.379%0.78849%0.489SS*.  trans-82.4105.6160.7-173.50000104.3V349V349-V351 VanDerWaalsContact C-N 3.32Å; V349-V351 HydrophobicContact CG1-CG2 4.31Å; V349-V351 PolarHBondContact O-N 2.88Å
352D38.4Very low67.8Low217 Ų21790 Ų90100%1.1651%0.508SS*.  trans-56.80173.1-75.3-29.6000111.9N350N350-D352 PolarHBondContact O-N 2.62Å

Retrieved 352 of 352 residues in 69.8 ms (Link to these results)

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