A0A087XD23_POEFO Loading...

Follistatin-like 3 (secreted glycoprotein)

AlphaFold DB , UniProt , Accession A0A087XD23, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 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
1M47Very low50Low214 Ų214124 Ų124100%1.05465%0.651SS**  0-23.10-75.1175.2176.100114.8
2R41.4Very low50.1Low227 Ų227123.3 Ų123.386%0.85765%0.647SS**Hα-helixtrans-76.5-24.6177.9-75.4178.3165.8179.8-5.3115.7
3C44Very low50.1Low113 Ų113119.8 Ų119.876%0.76464%0.639SS**Hα-helixtrans-74.2-32.4177.3-95.70000114.6I5 A7C3-I5 VanDerWaalsContact C-N 3.33Å; C3-I5 PolarHBondContact O-N 3.48Å; C3-A7 PolarHBondContact O-N 3.48Å
4L46.3Very low50.1Low132 Ų132119.1 Ų119.169%0.69164%0.635SS**Hα-helixtrans-72.1-27.2-179-91.6107.8000113L8L4-L8 PolarHBondContact O-N 3.24Å
5I52.7Low50Low119 Ų119118 Ų11861%0.6164%0.639SS**Hα-helixtrans-74.3-37.1-178.6-59.7173000110.7C3 A9C3-I5 VanDerWaalsContact C-N 3.33Å; C3-I5 PolarHBondContact O-N 3.48Å; I5-A9 PolarHBondContact O-N 3.44Å
6F50.6Low49.8Very low160 Ų160120.8 Ų120.870%0.70265%0.646SS**Hα-helixtrans-70.1-33.2176.6-92.1-85.7000113A9 V10F6-A9 PolarHBondContact O-N 3.2Å; F6-V10 WeakPolarHBondContact O-CG2 3.46Å; F6-V10 PolarHBondContact O-N 3.45Å
7A52.4Low49.5Very low54 Ų54124.4 Ų124.445%0.44666%0.655SS.*Hα-helixtrans-66.9-39177.300000112.4C3 I11C3-A7 PolarHBondContact O-N 3.48Å; A7-I11 WeakPolarHBondContact O-CD1 3.44Å; A7-I11 VanDerWaalsContact O-CG1 3.27Å; A7-I11 WeakPolarHBondContact O-CG1 3.39Å; A7-I11 PolarHBondContact O-N 3Å
8L53.8Low49.1Very low105 Ų105120.3 Ų120.355%0.5565%0.648SS.*Hα-helixtrans-69.9-35.8176.4-87.3153.4000112.7L4 I11 L12L4-L8 PolarHBondContact O-N 3.24Å; L8-I11 PolarHBondContact O-N 3.46Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 2.92Å
9A53.6Low48.9Very low58 Ų58127.1 Ų127.148%0.47966%0.663SS.*Hα-helixtrans-66.9-35.7176.900000112.7I5 F6 S13I5-A9 PolarHBondContact O-N 3.44Å; F6-A9 PolarHBondContact O-N 3.2Å; A9-S13 WeakPolarHBondContact O-CB 3.44Å; A9-S13 PolarHBondContact O-N 3Å
10V55.1Low48.7Very low80 Ų80127.1 Ų127.149%0.48566%0.664SS.*Hα-helixtrans-75-34.8176.81760000111.8F6 S13 L14F6-V10 WeakPolarHBondContact O-CG2 3.46Å; F6-V10 PolarHBondContact O-N 3.45Å; V10-S13 PolarHBondContact O-N 2.96Å; V10-L14 HydrophobicContact CG1-CD1 4Å; V10-L14 WeakPolarHBondContact O-CB 3.27Å; V10-L14 WeakPolarHBondContact O-CG 3.48Å; V10-L14 PolarHBondContact O-N 3.33Å
11I53.6Low48.9Very low102 Ų102127 Ų12752%0.52367%0.671SS.*Hα-helixtrans-69.1-39.2174.6-66.1165.4000111.1A7 L8 S13 L14 C15A7-I11 WeakPolarHBondContact O-CD1 3.44Å; A7-I11 VanDerWaalsContact O-CG1 3.27Å; A7-I11 WeakPolarHBondContact O-CG1 3.39Å; A7-I11 PolarHBondContact O-N 3Å; L8-I11 PolarHBondContact O-N 3.46Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-L14 PolarHBondContact O-N 3.17Å; I11-C15 WeakPolarHBondContact O-CB 3.33Å; I11-C15 PolarHBondContact O-N 3.36Å
12L51.2Low49.4Very low115 Ų115120.5 Ų120.560%0.60264%0.644SS**Hα-helixtrans-68.5-31.2172.8-80.6158.9000112.6L8 Q16L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 2.92Å; L12-Q16 PolarHBondContact O-N 3.44Å
13S49.9Very low50.3Low78 Ų78114.2 Ų114.255%0.54563%0.627SS.*Hα-helixtrans-72.9-31.8172.9145.40000113A9 V10 I11A9-S13 WeakPolarHBondContact O-CB 3.44Å; A9-S13 PolarHBondContact O-N 3Å; V10-S13 PolarHBondContact O-N 2.96Å; I11-S13 VanDerWaalsContact C-N 3.34Å
14L49.6Very low51.9Low110 Ų110111.2 Ų111.258%0.57661%0.61SS**Hα-helixtrans-81.9-24.9175.5-75.5164.4000113V10 I11 Q16V10-L14 HydrophobicContact CG1-CD1 4Å; V10-L14 WeakPolarHBondContact O-CB 3.27Å; V10-L14 WeakPolarHBondContact O-CG 3.48Å; V10-L14 PolarHBondContact O-N 3.33Å; I11-L14 PolarHBondContact O-N 3.17Å; L14-Q16 VanDerWaalsContact C-N 3.25Å; L14-Q16 PolarHBondContact O-N 3.47Å
15C48.2Very low54Low103 Ų103105 Ų10570%0.69658%0.578SS**THydrogen-bonded Turntrans-78.4-5.3170.2-80.10000114I11I11-C15 WeakPolarHBondContact O-CB 3.33Å; I11-C15 PolarHBondContact O-N 3.36Å
16Q47.4Very low55.8Low163 Ų16399.4 Ų99.476%0.76255%0.549SS*.THydrogen-bonded Turntrans-105.717.8172.1-68.9-156.11.800113.7L12 L14 G18L12-Q16 PolarHBondContact O-N 3.44Å; L14-Q16 VanDerWaalsContact C-N 3.25Å; L14-Q16 PolarHBondContact O-N 3.47Å; Q16-G18 PolarHBondContact O-N 2.78Å
17F45Very low57.8Low182 Ų18291.8 Ų91.880%0.79852%0.516SS*.SBendtrans-65.387.9151.1-103.9-85.3000107.2R19F17-R19 PolarHBondContact O-N 3.31Å
18G42.3Very low59.7Low51 Ų5189.2 Ų89.253%0.52650%0.495SS..  trans-52.5128.2-167.700000111.3Q16 N20Q16-G18 PolarHBondContact O-N 2.78Å; G18-N20 PolarHBondContact O-N 2.84Å
19R44.2Very low61.5Low248 Ų24886 Ų8694%0.93648%0.478SS*.  trans-5492.1131.8-88.7175155.7134.6-6105.5F17F17-R19 PolarHBondContact O-N 3.31Å
20N46.2Very low63.2Low128 Ų12884.5 Ų84.568%0.68446%0.461SS*.  trans-45.7132.9153.2-76-39000105.1G18 V22G18-N20 PolarHBondContact O-N 2.84Å; N20-V22 PolarHBondContact O-N 3.06Å
21P52.3Low64.4Low124 Ų12486.8 Ų86.881%0.80547%0.466SS*.  trans-60.792.2164.425.6-28.6000104.4D23P21-D23 PolarHBondContact O-N 2.67Å
22V56.7Low65.2Low79 Ų7983.7 Ų83.748%0.47946%0.459SS..  trans-55.3118.9171.9179.90000103N20 A24N20-V22 PolarHBondContact O-N 3.06Å; V22-A24 VanDerWaalsContact C-N 3.27Å; V22-A24 WeakPolarHBondContact O-CA 3.45Å; V22-A24 WeakPolarHBondContact O-CB 3.32Å; V22-A24 PolarHBondContact O-N 3.44Å
23D60.7Low66Low94 Ų9483.7 Ų83.750%0.50347%0.466SS..  trans-46.696.2180-120.8-6.6000107.2P21 G25 W60 N62P21-D23 PolarHBondContact O-N 2.67Å; D23-G25 VanDerWaalsContact C-N 3.31Å; D23-G25 PolarHBondContact O-N 3.04Å; D23-W60 HydrophobicContact CB-CH2 4.1Å; D23-W60 HydrophobicContact CB-CZ2 4.08Å; D23-N62 PolarHBondContact OD1-ND2 2.64Å; D23-N62 PolarHBondContact OD2-ND2 3.15Å
24A78.5Confident67.1Low50 Ų5085.5 Ų85.541%0.41347%0.47SS..  trans-85.384.9-164.300000107V22V22-A24 VanDerWaalsContact C-N 3.27Å; V22-A24 WeakPolarHBondContact O-CA 3.45Å; V22-A24 WeakPolarHBondContact O-CB 3.32Å; V22-A24 PolarHBondContact O-N 3.44Å
25G89.6Confident68.2Low1 Ų183 Ų831%0.0146%0.455CS..EExtended strand (participates in β ladder)trans-97.1-168.5-174.700000113.4D23 E44 V45 S61D23-G25 VanDerWaalsContact C-N 3.31Å; D23-G25 PolarHBondContact O-N 3.04Å; G25-E44 PolarHBondContact O-N 3.03Å; G25-V45 PolarHBondContact N-O 3.32Å; G25-V45 PolarHBondContact O-N 3.43Å; G25-S61 CarbonylContact C-O 3.45Å; G25-S61 WeakPolarHBondContact CA-O 3.49Å
26M91.1Very high70Confident3 Ų383.8 Ų83.82%0.01544%0.443CS..EExtended strand (participates in β ladder)trans-115.2135.3172-71.6-174.4-70.100109.7W28 R43 W60 S61 T63 L65 V70M26-W28 HydrophobicContact CB-CZ2 4Å; M26-W28 HydrophobicContact CE-CH2 4.32Å; M26-W28 HydrophobicContact CE-CZ2 3.52Å; M26-W28 PolarHBondContact O-NE1 2.99Å; M26-W28 HydrophobicContact SD-CZ2 3.94Å; M26-R43 HydrophobicContact CG-CG 4.39Å; M26-W60 WeakPolarHBondContact O-CA 3.45Å; M26-S61 PolarHBondContact N-O 3.27Å; M26-S61 PolarHBondContact O-N 2.74Å; M26-T63 HydrophobicContact CE-CG2 4.44Å; M26-T63 WeakPolarHBondContact CE-O 3Å; M26-T63 VanDerWaalsContact CG-O 3.25Å; M26-T63 WeakPolarHBondContact CG-O 3.33Å; M26-L65 HydrophobicContact CE-CB 3.98Å; M26-L65 HydrophobicContact CE-CD1 4.1Å; M26-L65 HydrophobicContact CE-CG 4.1Å; M26-V70 HydrophobicContact CE-CG1 4.01Å; M26-V70 HydrophobicContact CE-CG2 4.39Å; M26-V70 HydrophobicContact SD-CG1 3.63Å; M26-V70 HydrophobicContact SD-CG2 3.98Å
27C92.9Very high71.9Confident0 Ų076 Ų760%041%0.407CS..EExtended strand (participates in β ladder)trans-96.4136.8171.2-164.70000109.4L41 M42 V45 C50 A59C27-L41 HydrophobicContact CB-CB 4.49Å; C27-L41 PolarHBondContact O-N 2.04Å; C27-M42 HydrophobicContact CB-CB 3.88Å; C27-M42 HydrophobicContact CB-CE 4.02Å; C27-M42 PolarHBondContact N-O 2.87Å; C27-M42 PolarHBondContact O-N 3.13Å; C27-V45 HydrophobicContact CB-CG2 3.84Å; C27-C50 WeakPolarHBondContact CA-SG 3.41Å; C27-C50 HydrophobicContact CB-CB 3.63Å; C27-C50 WeakPolarHBondContact CB-SG 3.09Å; C27-C50 VanDerWaalsContact SG-CA 3.53Å; C27-C50 WeakPolarHBondContact SG-CB 3.26Å; C27-C50 CovalentContact SG-SG 2.04Å; C27-C50 PolarHBondContact SG-SG 2.84Å; C27-A59 CarbonylContact C-O 3.58Å
28W92.2Very high73.8Confident0 Ų069.5 Ų69.50%038%0.38CS..EExtended strand (participates in β ladder)trans-129.8148.8-168.3-60.390.2000111.4M26 C37 M39 V40 T58 A59 S61 V70 V79M26-W28 HydrophobicContact CB-CZ2 4Å; M26-W28 HydrophobicContact CE-CH2 4.32Å; M26-W28 HydrophobicContact CE-CZ2 3.52Å; M26-W28 PolarHBondContact O-NE1 2.99Å; M26-W28 HydrophobicContact SD-CZ2 3.94Å; W28-C37 HydrophobicContact CB-CB 3.74Å; W28-C37 WeakPolarHBondContact CB-SG 3.37Å; W28-C37 HydrophobicContact CD2-CB 3.73Å; W28-C37 HydrophobicContact CE3-CB 3.86Å; W28-C37 HydrophobicContact CG-CB 3.68Å; W28-M39 CarbonylContact C-O 3.45Å; W28-M39 VanDerWaalsContact CA-O 3.3Å; W28-M39 WeakPolarHBondContact CA-O 3.33Å; W28-V40 HydrophobicContact CD2-CG2 4.39Å; W28-V40 HydrophobicContact CE3-CG2 3.78Å; W28-V40 HydrophobicContact CH2-CG2 3.71Å; W28-V40 HydrophobicContact CZ2-CG2 4.25Å; W28-V40 HydrophobicContact CZ3-CG2 3.42Å; W28-V40 VanDerWaalsContact CZ3-CG2 3.42Å; W28-T58 WeakPolarHBondContact O-CA 3.41Å; W28-A59 PolarHBondContact N-O 3.07Å; W28-A59 PolarHBondContact O-N 2.9Å; W28-S61 PolarHBondContact NE1-OG 3.46Å; W28-V70 HydrophobicContact CH2-CG1 3.19Å; W28-V70 HydrophobicContact CZ2-CG1 3.85Å; W28-V70 HydrophobicContact CZ3-CG1 3.94Å; W28-V79 HydrophobicContact CH2-CB 4.27Å; W28-V79 HydrophobicContact CH2-CG1 3.96Å; W28-V79 HydrophobicContact CH2-CG2 3.79Å; W28-V79 HydrophobicContact CZ2-CB 4.34Å; W28-V79 HydrophobicContact CZ2-CG1 3.54Å; W28-V79 HydrophobicContact CZ2-CG2 4.17Å
29L91Very high75.9Confident38 Ų3872.3 Ų72.320%0.19938%0.381CS..EExtended strand (participates in β ladder)trans-90.8124.5162.3-168.872.1000108.8D38 M39 L41 D57L29-D38 PolarHBondContact O-N 2.94Å; L29-D38 VanDerWaalsContact O-N 3.16Å; L29-M39 HydrophobicContact CB-CB 4.17Å; L29-M39 HydrophobicContact CD2-SD 4.45Å; L29-M39 PolarHBondContact N-O 2.69Å; L29-M39 PolarHBondContact O-N 2.89Å; L29-L41 HydrophobicContact CB-CD1 4.12Å; L29-L41 HydrophobicContact CB-CD2 4.09Å; L29-L41 HydrophobicContact CB-CG 4.01Å; L29-L41 HydrophobicContact CD1-CD1 4.32Å; L29-D57 CarbonylContact C-O 3.58Å; L29-D57 WeakPolarHBondContact CA-O 3.4Å; L29-D57 HydrophobicContact CD1-CB 3.81Å; L29-D57 WeakPolarHBondContact CD1-OD2 3.39Å
30Q89.1Confident78Confident25 Ų2562.5 Ų62.512%0.11735%0.349CS..EExtended strand (participates in β ladder)trans-86.4130.4172.4-67.6-173.4-40.700110.2H35 R36 D57 A59Q30-H35 HydrophobicContact CB-CB 4.33Å; Q30-H35 PolarHBondContact NE2-O 3.4Å; Q30-H35 VanDerWaalsContact NE2-O 3.07Å; Q30-R36 WeakPolarHBondContact CA-O 3.47Å; Q30-D57 PolarHBondContact N-O 2.98Å; Q30-A59 HydrophobicContact CG-CB 3.65Å
31H80.1Confident80.1Confident128 Ų12859.8 Ų59.859%0.59333%0.334SS*.EExtended strand (participates in β ladder)trans-125.8150.4176.7-163.1102.7000111.4R36 D38H31-R36 PolarHBondContact N-O 3.29Å; H31-D38 HydrophobicContact CB-CB 4.14Å
32G70.8Confident81.9Confident37 Ų3757.7 Ų57.738%0.38132%0.315SS..THydrogen-bonded Turntrans79.1176.5171.500000114.7D34 H35G32-D34 VanDerWaalsContact C-N 3.26Å; G32-D34 PolarHBondContact O-N 3.26Å; G32-H35 PolarHBondContact O-N 3.18Å
33P68.4Low83.5Confident115 Ų11558.4 Ų58.475%0.74731%0.308SS*.THydrogen-bonded Turntrans-67.1-25.6-174.927.5-34.9000113.4H35P33-H35 VanDerWaalsContact C-N 3.34Å; P33-H35 PolarHBondContact O-CD2 3.27Å
34D72.9Confident84.8Confident117 Ų11761.6 Ų61.663%0.62632%0.32SS*.THydrogen-bonded Turntrans-88-6.7179.5-59.1-40.3000112.5G32 R36G32-D34 VanDerWaalsContact C-N 3.26Å; G32-D34 PolarHBondContact O-N 3.26Å; D34-R36 VanDerWaalsContact C-N 3.25Å; D34-R36 HydrophobicContact CB-CG 3.88Å; D34-R36 PolarHBondContact O-N 2.85Å
35H73.4Confident85.5Confident58 Ų5860 Ų6027%0.26931%0.306SS..THydrogen-bonded Turntrans53.541.6179-58.7-94.4000113.1Q30 G32 P33 R105Q30-H35 HydrophobicContact CB-CB 4.33Å; Q30-H35 PolarHBondContact NE2-O 3.4Å; Q30-H35 VanDerWaalsContact NE2-O 3.07Å; G32-H35 PolarHBondContact O-N 3.18Å; P33-H35 VanDerWaalsContact C-N 3.34Å; P33-H35 PolarHBondContact O-CD2 3.27Å; H35-R105 PolarHBondContact CD2-NH1 3.01Å
36R85.1Confident85.6Confident118 Ų11860.2 Ų60.245%0.44531%0.307SS..EExtended strand (participates in β ladder)trans-69.7142177.9-57.8-177.5-55.31773.9109Q30 H31 D34 D38Q30-R36 WeakPolarHBondContact CA-O 3.47Å; H31-R36 PolarHBondContact N-O 3.29Å; D34-R36 VanDerWaalsContact C-N 3.25Å; D34-R36 HydrophobicContact CB-CG 3.88Å; D34-R36 PolarHBondContact O-N 2.85Å; R36-D38 PolarHBondContact O-N 3.08Å
37C88.1Confident85.7Confident1 Ų163.9 Ų63.91%0.00732%0.321CS..EExtended strand (participates in β ladder)trans-73.698173-82.80000109.6W28 A59 G74 V79 C81W28-C37 HydrophobicContact CB-CB 3.74Å; W28-C37 WeakPolarHBondContact CB-SG 3.37Å; W28-C37 HydrophobicContact CD2-CB 3.73Å; W28-C37 HydrophobicContact CE3-CB 3.86Å; W28-C37 HydrophobicContact CG-CB 3.68Å; C37-A59 VanDerWaalsContact SG-CB 3.56Å; C37-G74 WeakPolarHBondContact O-CA 3.47Å; C37-V79 HydrophobicContact CB-CG1 4.42Å; C37-C81 HydrophobicContact CB-CB 3.87Å; C37-C81 WeakPolarHBondContact CB-SG 3.42Å; C37-C81 WeakPolarHBondContact SG-CB 3.04Å; C37-C81 CovalentContact SG-SG 1.99Å; C37-C81 PolarHBondContact SG-SG 3.01Å
38D83.6Confident85.7Confident44 Ų4470.4 Ų70.424%0.23535%0.351CS..EExtended strand (participates in β ladder)trans-96-50.4-166.7-170.627.4000110.6L29 H31 R36L29-D38 PolarHBondContact O-N 2.94Å; L29-D38 VanDerWaalsContact O-N 3.16Å; H31-D38 HydrophobicContact CB-CB 4.14Å; R36-D38 PolarHBondContact O-N 3.08Å
39M86.4Confident85.7Confident110 Ų11075.6 Ų75.654%0.54238%0.376SS..EExtended strand (participates in β ladder)trans-120.2132.6-174.1-178.5-177.3-62.400111.6W28 L29W28-M39 CarbonylContact C-O 3.45Å; W28-M39 VanDerWaalsContact CA-O 3.3Å; W28-M39 WeakPolarHBondContact CA-O 3.33Å; L29-M39 HydrophobicContact CB-CB 4.17Å; L29-M39 HydrophobicContact CD2-SD 4.45Å; L29-M39 PolarHBondContact N-O 2.69Å; L29-M39 PolarHBondContact O-N 2.89Å
40V89.3Confident85.8Confident43 Ų4374.1 Ų74.126%0.26137%0.368SS..EExtended strand (participates in β ladder)trans-75.6126.1173.7-175.80000109.5W28 R43 V70W28-V40 HydrophobicContact CD2-CG2 4.39Å; W28-V40 HydrophobicContact CE3-CG2 3.78Å; W28-V40 HydrophobicContact CH2-CG2 3.71Å; W28-V40 HydrophobicContact CZ2-CG2 4.25Å; W28-V40 HydrophobicContact CZ3-CG2 3.42Å; W28-V40 VanDerWaalsContact CZ3-CG2 3.42Å; V40-R43 HydrophobicContact CG1-CG 3.62Å; V40-V70 HydrophobicContact CG2-CB 4.43Å; V40-V70 HydrophobicContact CG2-CG1 3.33Å
41L90.5Very high86Confident71 Ų7173.7 Ų73.737%0.37237%0.368SS..EExtended strand (participates in β ladder)trans-93.3-46.2174.3-67.1175.5000111.7C27 L29 T58C27-L41 HydrophobicContact CB-CB 4.49Å; C27-L41 PolarHBondContact O-N 2.04Å; L29-L41 HydrophobicContact CB-CD1 4.12Å; L29-L41 HydrophobicContact CB-CD2 4.09Å; L29-L41 HydrophobicContact CB-CG 4.01Å; L29-L41 HydrophobicContact CD1-CD1 4.32Å; L41-T58 HydrophobicContact CD1-CG2 3.98Å
42M89.8Confident86.5Confident80 Ų8074.4 Ų74.439%0.39438%0.376SS..EExtended strand (participates in β ladder)trans-145.2152.9-176.5-59.4-178.9-72.200109.7C27 V45C27-M42 HydrophobicContact CB-CB 3.88Å; C27-M42 HydrophobicContact CB-CE 4.02Å; C27-M42 PolarHBondContact N-O 2.87Å; C27-M42 PolarHBondContact O-N 3.13Å; M42-V45 HydrophobicContact CB-CG1 3.9Å; M42-V45 HydrophobicContact CB-CG2 3.82Å
43R89.9Confident87.1Confident93 Ų9375 Ų7535%0.35138%0.382SS..EExtended strand (participates in β ladder)trans-129.3154.6-179.4-61.317773.8-152.32.8109.2M26 V40 V45 L65 L67M26-R43 HydrophobicContact CG-CG 4.39Å; V40-R43 HydrophobicContact CG1-CG 3.62Å; R43-V45 PolarHBondContact O-N 2.96Å; R43-L65 PolarHBondContact NH2-O 3.42Å; R43-L67 VanDerWaalsContact NH1-CG 3.28Å
44E89Confident87.8Confident161 Ų16169.7 Ų69.775%0.75235%0.348SS*.EExtended strand (participates in β ladder)trans58.536.2-179.7-55.5177.517700111.5G25G25-E44 PolarHBondContact O-N 3.03Å
45V91.8Very high88.5Confident18 Ų1870 Ų7011%0.10934%0.341CS..EExtended strand (participates in β ladder)trans-116.5147.5-178.3-69.10000111.1G25 C27 M42 R43 E49 C50 W60G25-V45 PolarHBondContact N-O 3.32Å; G25-V45 PolarHBondContact O-N 3.43Å; C27-V45 HydrophobicContact CB-CG2 3.84Å; M42-V45 HydrophobicContact CB-CG1 3.9Å; M42-V45 HydrophobicContact CB-CG2 3.82Å; R43-V45 PolarHBondContact O-N 2.96Å; V45-E49 WeakPolarHBondContact CA-OE2 3.44Å; V45-E49 HydrophobicContact CB-CB 4.22Å; V45-E49 WeakPolarHBondContact CB-OE2 3.1Å; V45-C50 HydrophobicContact CG2-CB 4.46Å; V45-W60 PolarHBondContact O-NE1 3.02Å
46S92.9Very high89.4Confident5 Ų569.1 Ų69.14%0.03534%0.337CS..  trans-68.6166.1172.8103.90000111.6E48 E49 C50S46-E48 VanDerWaalsContact C-N 3.31Å; S46-E48 WeakPolarHBondContact CB-OE2 2.98Å; S46-E48 WeakPolarHBondContact OG-CB 3.34Å; S46-E48 PolarHBondContact OG-N 3.27Å; S46-E48 PolarHBondContact OG-OE2 2.91Å; S46-E49 PolarHBondContact N-OE2 3.46Å; S46-E49 PolarHBondContact OG-N 3.38Å; S46-C50 WeakPolarHBondContact O-CB 3.42Å; S46-C50 PolarHBondContact O-N 3.12Å
47R92.4Very high89.7Confident79 Ų7966.1 Ų66.130%0.29833%0.33SS..Hα-helixtrans-63-41.7171.2-178.7175.717576.33.1111C50 C51 W60 K82 P83R47-C50 PolarHBondContact O-N 3.06Å; R47-C51 VanDerWaalsContact O-CB 3.26Å; R47-C51 WeakPolarHBondContact O-CB 3.38Å; R47-C51 PolarHBondContact O-N 3.49Å; R47-C51 PolarHBondContact O-SG 2.89Å; R47-W60 HydrophobicContact CB-CD2 3.84Å; R47-W60 HydrophobicContact CB-CE3 4.19Å; R47-W60 HydrophobicContact CB-CG 4.02Å; R47-W60 HydrophobicContact CG-CB 4.29Å; R47-W60 HydrophobicContact CG-CD2 4.29Å; R47-W60 HydrophobicContact CG-CE3 4.45Å; R47-W60 HydrophobicContact CG-CG 4.23Å; R47-K82 PolarHBondContact NH1-O 3.01Å; R47-P83 PolarHBondContact NH2-O 3.01Å
48E92.4Very high89.9Confident138 Ų13866.3 Ų66.365%0.64533%0.332SS*.Hα-helixtrans-61-48.2179.3-59.668.8-148.800110.5S46 C50 C51 D52S46-E48 VanDerWaalsContact C-N 3.31Å; S46-E48 WeakPolarHBondContact CB-OE2 2.98Å; S46-E48 WeakPolarHBondContact OG-CB 3.34Å; S46-E48 PolarHBondContact OG-N 3.27Å; S46-E48 PolarHBondContact OG-OE2 2.91Å; E48-C50 VanDerWaalsContact C-N 3.34Å; E48-C50 PolarHBondContact O-N 3.33Å; E48-C51 PolarHBondContact O-N 2.95Å; E48-C51 VanDerWaalsContact O-N 3.15Å; E48-D52 PolarHBondContact O-N 3.39Å; E48-D52 VanDerWaalsContact O-N 3.08Å
49E93.6Very high90.3Very high109 Ų10964.2 Ų64.251%0.50932%0.321SS..Hα-helixtrans-60.8-42.1176.4-68.8172.7168.700111.8V45 S46 C51V45-E49 WeakPolarHBondContact CA-OE2 3.44Å; V45-E49 HydrophobicContact CB-CB 4.22Å; V45-E49 WeakPolarHBondContact CB-OE2 3.1Å; S46-E49 PolarHBondContact N-OE2 3.46Å; S46-E49 PolarHBondContact OG-N 3.38Å; E49-C51 VanDerWaalsContact C-N 3.31Å; E49-C51 PolarHBondContact O-N 3.12Å
50C93.2Very high90.7Very high7 Ų760.1 Ų60.15%0.04730%0.299CS..Hα-helixtrans-64.3-34.4175.8178.10000113C27 V45 S46 R47 E48 A59 W60C27-C50 WeakPolarHBondContact CA-SG 3.41Å; C27-C50 HydrophobicContact CB-CB 3.63Å; C27-C50 WeakPolarHBondContact CB-SG 3.09Å; C27-C50 VanDerWaalsContact SG-CA 3.53Å; C27-C50 WeakPolarHBondContact SG-CB 3.26Å; C27-C50 CovalentContact SG-SG 2.04Å; C27-C50 PolarHBondContact SG-SG 2.84Å; V45-C50 HydrophobicContact CG2-CB 4.46Å; S46-C50 WeakPolarHBondContact O-CB 3.42Å; S46-C50 PolarHBondContact O-N 3.12Å; R47-C50 PolarHBondContact O-N 3.06Å; E48-C50 VanDerWaalsContact C-N 3.34Å; E48-C50 PolarHBondContact O-N 3.33Å; C50-A59 PolarHBondContact SG-O 2.79Å; C50-A59 VanDerWaalsContact SG-O 3.39Å; C50-W60 HydrophobicContact CB-CB 4.36Å; C50-W60 HydrophobicContact CB-CG 4.41Å
51C92.1Very high90.8Very high16 Ų1658.3 Ų58.311%0.10829%0.288CS..Hα-helixtrans-102.63.1-168.6-590000115.2R47 E48 E49 G53 C84R47-C51 VanDerWaalsContact O-CB 3.26Å; R47-C51 WeakPolarHBondContact O-CB 3.38Å; R47-C51 PolarHBondContact O-N 3.49Å; R47-C51 PolarHBondContact O-SG 2.89Å; E48-C51 PolarHBondContact O-N 2.95Å; E48-C51 VanDerWaalsContact O-N 3.15Å; E49-C51 VanDerWaalsContact C-N 3.31Å; E49-C51 PolarHBondContact O-N 3.12Å; C51-G53 VanDerWaalsContact C-N 3.27Å; C51-G53 PolarHBondContact O-N 2.76Å; C51-C84 WeakPolarHBondContact CA-SG 3.12Å; C51-C84 HydrophobicContact CB-CB 3.58Å; C51-C84 WeakPolarHBondContact CB-SG 3.01Å; C51-C84 WeakPolarHBondContact SG-CA 3.39Å; C51-C84 WeakPolarHBondContact SG-CB 3.37Å; C51-C84 CovalentContact SG-SG 2.04Å; C51-C84 PolarHBondContact SG-SG 2.87Å
52D90.6Very high90.8Very high142 Ų14259.1 Ų59.176%0.75929%0.293SS*.THydrogen-bonded Turntrans-63.8-27.6-176.7-168.945.5000113.4E48 G54E48-D52 PolarHBondContact O-N 3.39Å; E48-D52 VanDerWaalsContact O-N 3.08Å; D52-G54 VanDerWaalsContact C-N 3.35Å; D52-G54 PolarHBondContact O-N 2.04Å
53G83.3Confident90.3Very high50 Ų5057.8 Ų57.852%0.51529%0.289SS..THydrogen-bonded Turntrans-77.3-5-173.600000117.1C51 R55C51-G53 VanDerWaalsContact C-N 3.27Å; C51-G53 PolarHBondContact O-N 2.76Å; G53-R55 PolarHBondContact O-N 2.94Å
54G83.3Confident89.7Confident3 Ų358.3 Ų58.33%0.03131%0.307CS..  trans62.921.4-178.300000114.5D52 K92D52-G54 VanDerWaalsContact C-N 3.35Å; D52-G54 PolarHBondContact O-N 2.04Å; G54-K92 PolarHBondContact O-N 3.38Å; G54-K92 VanDerWaalsContact O-N 3.12Å
55R88.6Confident88.9Confident125 Ų12552.4 Ų52.447%0.47228%0.281SS..  trans-84.4133.9-178-74.3-176.169152.62.6111.7G53 D57 T58G53-R55 PolarHBondContact O-N 2.94Å; R55-D57 WeakPolarHBondContact CB-OD1 3.38Å; R55-D57 IonicContact CZ-OD1 3.86Å; R55-D57 IonicContact CZ-OD2 3.56Å; R55-D57 IonicContact NE-OD1 3.06Å; R55-D57 PolarHBondContact NE-OD1 2.85Å; R55-D57 IonicContact NE-OD2 3.8Å; R55-D57 IonicContact NH2-OD1 3.84Å; R55-D57 IonicContact NH2-OD2 2.89Å; R55-D57 PolarHBondContact NH2-OD2 3.35Å; R55-T58 HydrophobicContact CB-CG2 3.66Å; R55-T58 PolarHBondContact O-OG1 2.85Å
56L90.8Very high88Confident38 Ų3854.9 Ų54.920%0.19930%0.297CS..THydrogen-bonded Turntrans-77.7-24.5-179.3-70-178.7000114.3T58 R85 V91 P106 C108L56-T58 PolarHBondContact O-N 2.78Å; L56-R85 HydrophobicContact CD2-CB 4Å; L56-V91 HydrophobicContact CD1-CG1 3.9Å; L56-V91 HydrophobicContact CD2-CB 4.22Å; L56-V91 HydrophobicContact CD2-CG1 3.61Å; L56-V91 HydrophobicContact CD2-CG2 3.49Å; L56-V91 VanDerWaalsContact CD2-CG2 3.49Å; L56-V91 HydrophobicContact CG-CG1 3.57Å; L56-V91 HydrophobicContact CG-CG2 4.38Å; L56-P106 HydrophobicContact CD2-CB 3.74Å; L56-P106 HydrophobicContact CD2-CG 3.74Å; L56-C108 HydrophobicContact CD1-CB 4.13Å; L56-C108 VanDerWaalsContact CD1-N 3.3Å; L56-C108 WeakPolarHBondContact CD1-SG 3.4Å
57D91Very high86.7Confident55 Ų5559.4 Ų59.429%0.29432%0.32SS..THydrogen-bonded Turntrans-86.57.8-177.857.2-15.5000112.5L29 Q30 R55L29-D57 CarbonylContact C-O 3.58Å; L29-D57 WeakPolarHBondContact CA-O 3.4Å; L29-D57 HydrophobicContact CD1-CB 3.81Å; L29-D57 WeakPolarHBondContact CD1-OD2 3.39Å; Q30-D57 PolarHBondContact N-O 2.98Å; R55-D57 WeakPolarHBondContact CB-OD1 3.38Å; R55-D57 IonicContact CZ-OD1 3.86Å; R55-D57 IonicContact CZ-OD2 3.56Å; R55-D57 IonicContact NE-OD1 3.06Å; R55-D57 PolarHBondContact NE-OD1 2.85Å; R55-D57 IonicContact NE-OD2 3.8Å; R55-D57 IonicContact NH2-OD1 3.84Å; R55-D57 IonicContact NH2-OD2 2.89Å; R55-D57 PolarHBondContact NH2-OD2 3.35Å
58T92.8Very high85.7Confident6 Ų662.4 Ų62.44%0.03734%0.342CS..EExtended strand (participates in β ladder)trans-102.5140-177.657.40000112.2W28 L41 R55 L56 C84W28-T58 WeakPolarHBondContact O-CA 3.41Å; L41-T58 HydrophobicContact CD1-CG2 3.98Å; R55-T58 HydrophobicContact CB-CG2 3.66Å; R55-T58 PolarHBondContact O-OG1 2.85Å; L56-T58 PolarHBondContact O-N 2.78Å; T58-C84 WeakPolarHBondContact O-CB 3.45Å; T58-C84 PolarHBondContact O-N 3.07Å; T58-C84 WeakPolarHBondContact OG1-CB 3.35Å; T58-C84 PolarHBondContact OG1-SG 3.28Å
59A93.4Very high84.9Confident0 Ų060.8 Ų60.80%034%0.335CS..EExtended strand (participates in β ladder)trans-144.1158.4176.600000111C27 W28 Q30 C37 C50 C81 K82C27-A59 CarbonylContact C-O 3.58Å; W28-A59 PolarHBondContact N-O 3.07Å; W28-A59 PolarHBondContact O-N 2.9Å; Q30-A59 HydrophobicContact CG-CB 3.65Å; C37-A59 VanDerWaalsContact SG-CB 3.56Å; C50-A59 PolarHBondContact SG-O 2.79Å; C50-A59 VanDerWaalsContact SG-O 3.39Å; A59-C81 HydrophobicContact CB-CB 4.22Å; A59-K82 CarbonylContact C-O 3.53Å; A59-K82 WeakPolarHBondContact CA-O 3.06Å; A59-K82 WeakPolarHBondContact CB-O 3.46Å
60W94Very high84.1Confident24 Ų2455.7 Ų55.79%0.09131%0.311CS..EExtended strand (participates in β ladder)trans-128143.7-176.6-177.189.8000111.2D23 M26 V45 R47 C50 N62 K82D23-W60 HydrophobicContact CB-CH2 4.1Å; D23-W60 HydrophobicContact CB-CZ2 4.08Å; M26-W60 WeakPolarHBondContact O-CA 3.45Å; V45-W60 PolarHBondContact O-NE1 3.02Å; R47-W60 HydrophobicContact CB-CD2 3.84Å; R47-W60 HydrophobicContact CB-CE3 4.19Å; R47-W60 HydrophobicContact CB-CG 4.02Å; R47-W60 HydrophobicContact CG-CB 4.29Å; R47-W60 HydrophobicContact CG-CD2 4.29Å; R47-W60 HydrophobicContact CG-CE3 4.45Å; R47-W60 HydrophobicContact CG-CG 4.23Å; C50-W60 HydrophobicContact CB-CB 4.36Å; C50-W60 HydrophobicContact CB-CG 4.41Å; W60-N62 HydrophobicContact CH2-CB 3.38Å; W60-N62 HydrophobicContact CZ2-CB 4.2Å; W60-N62 HydrophobicContact CZ3-CB 3.73Å; W60-K82 PolarHBondContact N-O 3.48Å; W60-K82 PolarHBondContact O-N 3.44Å
61S92Very high83Confident4 Ų458.3 Ų58.33%0.02833%0.329CS..EExtended strand (participates in β ladder)trans-131.8146.1170.270.90000111.1G25 M26 W28 T63 S80G25-S61 CarbonylContact C-O 3.45Å; G25-S61 WeakPolarHBondContact CA-O 3.49Å; M26-S61 PolarHBondContact N-O 3.27Å; M26-S61 PolarHBondContact O-N 2.74Å; W28-S61 PolarHBondContact NE1-OG 3.46Å; S61-T63 PolarHBondContact O-N 2.88Å; S61-T63 VanDerWaalsContact O-N 3.07Å; S61-S80 WeakPolarHBondContact CB-O 3.2Å
62N89.4Confident82.1Confident88 Ų8862.7 Ų62.747%0.47135%0.351SS..SBendtrans-83.741.3175.1-162.3-0.3000112D23 W60D23-N62 PolarHBondContact OD1-ND2 2.64Å; D23-N62 PolarHBondContact OD2-ND2 3.15Å; W60-N62 HydrophobicContact CH2-CB 3.38Å; W60-N62 HydrophobicContact CZ2-CB 4.2Å; W60-N62 HydrophobicContact CZ3-CB 3.73Å
63T80.1Confident81.3Confident53 Ų5358.1 Ų58.133%0.32533%0.326SS..  trans-115.2135.5-178.4-36.70000109M26 S61 L65M26-T63 HydrophobicContact CE-CG2 4.44Å; M26-T63 WeakPolarHBondContact CE-O 3Å; M26-T63 VanDerWaalsContact CG-O 3.25Å; M26-T63 WeakPolarHBondContact CG-O 3.33Å; S61-T63 PolarHBondContact O-N 2.88Å; S61-T63 VanDerWaalsContact O-N 3.07Å; T63-L65 HydrophobicContact CG2-CD1 3.96Å; T63-L65 HydrophobicContact CG2-CD2 4.06Å; T63-L65 HydrophobicContact CG2-CG 3.6Å
64S77Confident80.8Confident104 Ų10455.7 Ų55.773%0.72730%0.302SS*.  trans-113.494.5171.8580000108.7
65L72.1Confident80.1Confident37 Ų3762.3 Ų62.319%0.19433%0.33CS..  trans-108.2150.4179.8-66.9169.7000110.6M26 R43 T63 V70 L73M26-L65 HydrophobicContact CE-CB 3.98Å; M26-L65 HydrophobicContact CE-CD1 4.1Å; M26-L65 HydrophobicContact CE-CG 4.1Å; R43-L65 PolarHBondContact NH2-O 3.42Å; T63-L65 HydrophobicContact CG2-CD1 3.96Å; T63-L65 HydrophobicContact CG2-CD2 4.06Å; T63-L65 HydrophobicContact CG2-CG 3.6Å; L65-V70 VanDerWaalsContact C-CG2 3.41Å; L65-V70 HydrophobicContact CB-CB 4.37Å; L65-V70 HydrophobicContact CB-CG2 3.29Å; L65-V70 WeakPolarHBondContact O-CG2 3.42Å; L65-L73 HydrophobicContact CD1-CD1 3.76Å
66P72.7Confident79.6Confident69 Ų6961.2 Ų61.245%0.44833%0.333SS..  trans-68.1141.417226.7-30.9000111N68 E69 V70P66-N68 PolarHBondContact O-N 3.46Å; P66-E69 HydrophobicContact CG-CB 4.29Å; P66-E69 HydrophobicContact CG-CG 4.23Å; P66-E69 WeakPolarHBondContact CG-OE2 3.47Å; P66-E69 PolarHBondContact O-N 2.89Å; P66-V70 WeakPolarHBondContact O-CG2 3.01Å; P66-V70 PolarHBondContact O-N 2.91Å; P66-V70 VanDerWaalsContact O-N 3.07Å
67L66.8Low78.6Confident100 Ų10060.8 Ų60.852%0.52434%0.337SS..Hα-helixtrans-45.7-39.6-171.2-81.4150.4000114.7R43 E69 V70 S71R43-L67 VanDerWaalsContact NH1-CG 3.28Å; L67-E69 VanDerWaalsContact C-N 3.33Å; L67-E69 PolarHBondContact O-N 3.38Å; L67-V70 PolarHBondContact O-N 3.06Å; L67-S71 PolarHBondContact O-N 3.25Å; L67-S71 PolarHBondContact O-OG 3.46Å
68N70.7Confident78.1Confident142 Ų14263.1 Ų63.176%0.75935%0.349SS*.Hα-helixtrans-64.9-37.8-175.3-385.9000111.2P66P66-N68 PolarHBondContact O-N 3.46Å
69E74.6Confident77.6Confident105 Ų10563.8 Ų63.849%0.49135%0.353SS..Hα-helixtrans-84.8-37.9177-72.6-174.8153.700111.7P66 L67 S71 L72 L73P66-E69 HydrophobicContact CG-CB 4.29Å; P66-E69 HydrophobicContact CG-CG 4.23Å; P66-E69 WeakPolarHBondContact CG-OE2 3.47Å; P66-E69 PolarHBondContact O-N 2.89Å; L67-E69 VanDerWaalsContact C-N 3.33Å; L67-E69 PolarHBondContact O-N 3.38Å; E69-S71 VanDerWaalsContact C-N 3.29Å; E69-S71 PolarHBondContact O-N 2.87Å; E69-L72 PolarHBondContact O-N 3.45Å; E69-L73 WeakPolarHBondContact O-CB 3.42Å; E69-L73 VanDerWaalsContact O-CG 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.05Å; E69-L73 PolarHBondContact O-N 2.95Å
70V76.8Confident77.2Confident2 Ų268.8 Ų68.81%0.01239%0.388CS..Hα-helixtrans-59.7-43.1-175.7-1680000111.2M26 W28 V40 L65 P66 L67 G74M26-V70 HydrophobicContact CE-CG1 4.01Å; M26-V70 HydrophobicContact CE-CG2 4.39Å; M26-V70 HydrophobicContact SD-CG1 3.63Å; M26-V70 HydrophobicContact SD-CG2 3.98Å; W28-V70 HydrophobicContact CH2-CG1 3.19Å; W28-V70 HydrophobicContact CZ2-CG1 3.85Å; W28-V70 HydrophobicContact CZ3-CG1 3.94Å; V40-V70 HydrophobicContact CG2-CB 4.43Å; V40-V70 HydrophobicContact CG2-CG1 3.33Å; L65-V70 VanDerWaalsContact C-CG2 3.41Å; L65-V70 HydrophobicContact CB-CB 4.37Å; L65-V70 HydrophobicContact CB-CG2 3.29Å; L65-V70 WeakPolarHBondContact O-CG2 3.42Å; P66-V70 WeakPolarHBondContact O-CG2 3.01Å; P66-V70 PolarHBondContact O-N 2.91Å; P66-V70 VanDerWaalsContact O-N 3.07Å; L67-V70 PolarHBondContact O-N 3.06Å; V70-G74 PolarHBondContact O-N 2.03Å
71S70.6Confident77Confident62 Ų6269.1 Ų69.143%0.43439%0.394SS..Hα-helixtrans-63.4-47.1-178.9-54.90000110.7L67 E69 G74 F75L67-S71 PolarHBondContact O-N 3.25Å; L67-S71 PolarHBondContact O-OG 3.46Å; E69-S71 VanDerWaalsContact C-N 3.29Å; E69-S71 PolarHBondContact O-N 2.87Å; S71-G74 PolarHBondContact O-N 2.04Å; S71-F75 WeakPolarHBondContact O-CD2 3.25Å; S71-F75 PolarHBondContact O-N 3.16Å; S71-F75 VanDerWaalsContact O-N 3.15Å
72L73.6Confident77Confident108 Ų10876.1 Ų76.157%0.56542%0.424SS*.Hα-helixtrans-66-44.2179.7-174.268.5000112.1E69 G74 F75 L76E69-L72 PolarHBondContact O-N 3.45Å; L72-G74 VanDerWaalsContact C-N 3.34Å; L72-G74 PolarHBondContact O-N 3.07Å; L72-F75 PolarHBondContact O-N 2.76Å; L72-L76 HydrophobicContact CD1-CD1 4.34Å; L72-L76 HydrophobicContact CG-CD1 3.99Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 VanDerWaalsContact O-CG 3.26Å; L72-L76 WeakPolarHBondContact O-CG 3.38Å; L72-L76 PolarHBondContact O-N 1.99Å
73L74.1Confident77.1Confident45 Ų4574.4 Ų74.424%0.23642%0.418CS..Hα-helixtrans-69.1-32.2-179.6-65.8177.5000112.7L65 E69 G77 I78 V79L65-L73 HydrophobicContact CD1-CD1 3.76Å; E69-L73 WeakPolarHBondContact O-CB 3.42Å; E69-L73 VanDerWaalsContact O-CG 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.05Å; E69-L73 PolarHBondContact O-N 2.95Å; L73-G77 PolarHBondContact O-N 3.45Å; L73-G77 VanDerWaalsContact O-N 3.13Å; L73-I78 HydrophobicContact CD2-CB 4.17Å; L73-I78 HydrophobicContact CD2-CD1 3.78Å; L73-I78 HydrophobicContact CD2-CG2 4.2Å; L73-I78 PolarHBondContact O-N 2.85Å; L73-V79 HydrophobicContact CB-CG2 3.83Å
74G71.7Confident77.7Confident0 Ų072.6 Ų72.60%041%0.407CS..Hα-helixtrans-62.4-52171.600000111.6C37 V70 S71 L72 L76 G77C37-G74 WeakPolarHBondContact O-CA 3.47Å; V70-G74 PolarHBondContact O-N 2.03Å; S71-G74 PolarHBondContact O-N 2.04Å; L72-G74 VanDerWaalsContact C-N 3.34Å; L72-G74 PolarHBondContact O-N 3.07Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 2.78Å; G74-G77 PolarHBondContact O-N 3.49Å
75F70.4Confident78.4Confident141 Ų14170.8 Ų70.862%0.61838%0.384SS*.Hα-helixtrans-59.9-39.1176.5-79.2-61.7000113.4S71 L72 G77S71-F75 WeakPolarHBondContact O-CD2 3.25Å; S71-F75 PolarHBondContact O-N 3.16Å; S71-F75 VanDerWaalsContact O-N 3.15Å; L72-F75 PolarHBondContact O-N 2.76Å; F75-G77 PolarHBondContact O-N 3.22Å
76L76.7Confident79.3Confident102 Ų10275.1 Ų75.153%0.53441%0.407SS..THydrogen-bonded Turntrans-74.1-9.6176.7-67.2174.7000113L72 G74 I78L72-L76 HydrophobicContact CD1-CD1 4.34Å; L72-L76 HydrophobicContact CG-CD1 3.99Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 VanDerWaalsContact O-CG 3.26Å; L72-L76 WeakPolarHBondContact O-CG 3.38Å; L72-L76 PolarHBondContact O-N 1.99Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 2.78Å; L76-I78 VanDerWaalsContact C-N 3.28Å; L76-I78 HydrophobicContact CB-CD1 3.69Å; L76-I78 HydrophobicContact CB-CG1 3.9Å; L76-I78 HydrophobicContact CD1-CD1 3.91Å; L76-I78 HydrophobicContact CG-CD1 4.47Å; L76-I78 PolarHBondContact O-N 2.93Å
77G71.1Confident80.3Confident29 Ų2973.7 Ų73.730%0.29940%0.399SS..THydrogen-bonded Turntrans70.522179.800000114.2L73 G74 F75L73-G77 PolarHBondContact O-N 3.45Å; L73-G77 VanDerWaalsContact O-N 3.13Å; G74-G77 PolarHBondContact O-N 3.49Å; F75-G77 PolarHBondContact O-N 3.22Å
78I79.1Confident81.7Confident104 Ų10470.9 Ų70.953%0.53339%0.387SS..  trans-81.6-23.2-176.9-64.6168.9000110.8L73 L76 S80L73-I78 HydrophobicContact CD2-CB 4.17Å; L73-I78 HydrophobicContact CD2-CD1 3.78Å; L73-I78 HydrophobicContact CD2-CG2 4.2Å; L73-I78 PolarHBondContact O-N 2.85Å; L76-I78 VanDerWaalsContact C-N 3.28Å; L76-I78 HydrophobicContact CB-CD1 3.69Å; L76-I78 HydrophobicContact CB-CG1 3.9Å; L76-I78 HydrophobicContact CD1-CD1 3.91Å; L76-I78 HydrophobicContact CG-CD1 4.47Å; L76-I78 PolarHBondContact O-N 2.93Å; I78-S80 PolarHBondContact O-N 2.96Å
79V81.9Confident82.8Confident20 Ų2071.4 Ų71.412%0.12139%0.385CS..  trans-71.1116.2-178.1-178.10000110.9W28 C37 L73W28-V79 HydrophobicContact CH2-CB 4.27Å; W28-V79 HydrophobicContact CH2-CG1 3.96Å; W28-V79 HydrophobicContact CH2-CG2 3.79Å; W28-V79 HydrophobicContact CZ2-CB 4.34Å; W28-V79 HydrophobicContact CZ2-CG1 3.54Å; W28-V79 HydrophobicContact CZ2-CG2 4.17Å; C37-V79 HydrophobicContact CB-CG1 4.42Å; L73-V79 HydrophobicContact CB-CG2 3.83Å
80S86.1Confident83.5Confident106 Ų10668.6 Ų68.674%0.74138%0.384SS*.  trans-81.6119.3170.7-67.30000110.4S61 I78S61-S80 WeakPolarHBondContact CB-O 3.2Å; I78-S80 PolarHBondContact O-N 2.96Å
81C89.1Confident84.3Confident31 Ų3169.5 Ų69.521%0.20939%0.39CS..  trans-136.2155.5-178.861.80000111C37 A59C37-C81 HydrophobicContact CB-CB 3.87Å; C37-C81 WeakPolarHBondContact CB-SG 3.42Å; C37-C81 WeakPolarHBondContact SG-CB 3.04Å; C37-C81 CovalentContact SG-SG 1.99Å; C37-C81 PolarHBondContact SG-SG 3.01Å; A59-C81 HydrophobicContact CB-CB 4.22Å
82K92.1Very high85.3Confident150 Ų15074.6 Ų74.665%0.65240%0.404SS*.EExtended strand (participates in β ladder)trans-106.4127.4178.2-67.7-176-179.8178.40109.9R47 A59 W60R47-K82 PolarHBondContact NH1-O 3.01Å; A59-K82 CarbonylContact C-O 3.53Å; A59-K82 WeakPolarHBondContact CA-O 3.06Å; A59-K82 WeakPolarHBondContact CB-O 3.46Å; W60-K82 PolarHBondContact N-O 3.48Å; W60-K82 PolarHBondContact O-N 3.44Å
83P92.6Very high86.2Confident53 Ų5371.1 Ų71.134%0.34439%0.388SS..EExtended strand (participates in β ladder)trans-58.2148.7176.226.9-34.3000110.6R47 R85R47-P83 PolarHBondContact NH2-O 3.01Å; P83-R85 VanDerWaalsContact C-N 3.3Å
84C92.4Very high87Confident14 Ų1472.6 Ų72.610%0.09540%0.402CS..SBendtrans-70.6-30.6175.9-81.40000112.2C51 T58C51-C84 WeakPolarHBondContact CA-SG 3.12Å; C51-C84 HydrophobicContact CB-CB 3.58Å; C51-C84 WeakPolarHBondContact CB-SG 3.01Å; C51-C84 WeakPolarHBondContact SG-CA 3.39Å; C51-C84 WeakPolarHBondContact SG-CB 3.37Å; C51-C84 CovalentContact SG-SG 2.04Å; C51-C84 PolarHBondContact SG-SG 2.87Å; T58-C84 WeakPolarHBondContact O-CB 3.45Å; T58-C84 PolarHBondContact O-N 3.07Å; T58-C84 WeakPolarHBondContact OG1-CB 3.35Å; T58-C84 PolarHBondContact OG1-SG 3.28Å
85R91.6Very high87.8Confident67 Ų6778.9 Ų78.925%0.25344%0.443SS..  trans-128.3126.9-178.4-60.2-68.8173.9172.6-9.7110L56 P83 E89 V91 P106L56-R85 HydrophobicContact CD2-CB 4Å; P83-R85 VanDerWaalsContact C-N 3.3Å; R85-E89 PolarHBondContact NH1-O 3.35Å; R85-V91 HydrophobicContact CB-CG2 4.15Å; R85-V91 HydrophobicContact CG-CG2 4Å; R85-P106 HydrophobicContact CB-CG 4.48Å
86D91.4Very high88.7Confident127 Ų12774.2 Ų74.268%0.67943%0.434SS*.SBendtrans-110-9.3173.859.1-5.8000112.3M101D86-M101 WeakPolarHBondContact O-CE 3.2Å
87S94Very high89.6Confident39 Ų3973.1 Ų73.127%0.27343%0.425SS..SBendtrans-132.6176.2174.983.90000111.3E89 V91 P106S87-E89 PolarHBondContact O-N 2.94Å; S87-E89 WeakPolarHBondContact OG-CB 3.05Å; S87-E89 PolarHBondContact OG-N 3.3Å; S87-E89 VanDerWaalsContact OG-N 3.12Å; S87-V91 WeakPolarHBondContact O-CG2 2.91Å; S87-P106 WeakPolarHBondContact O-CB 3.33Å
88C95.3Very high90.7Very high41 Ų4174.4 Ų74.428%0.27743%0.428SS..SBendtrans-80.71173.8-75.60000114G90 V91 C99 K100C88-G90 PolarHBondContact O-N 3.36Å; C88-V91 PolarHBondContact O-N 2.85Å; C88-C99 WeakPolarHBondContact CA-SG 3.34Å; C88-C99 HydrophobicContact CB-CB 3.67Å; C88-C99 WeakPolarHBondContact CB-SG 3.3Å; C88-C99 WeakPolarHBondContact SG-CB 2.99Å; C88-C99 CovalentContact SG-SG 2.04Å; C88-C99 PolarHBondContact SG-SG 3.3Å; C88-K100 PolarHBondContact SG-N 3.26Å
89E93.8Very high91.5Very high154 Ų15471 Ų7172%0.7241%0.412SS*.THydrogen-bonded Turntrans-69.8125-179.3-169.6174.6-179.600111.2R85 S87 V91R85-E89 PolarHBondContact NH1-O 3.35Å; S87-E89 PolarHBondContact O-N 2.94Å; S87-E89 WeakPolarHBondContact OG-CB 3.05Å; S87-E89 PolarHBondContact OG-N 3.3Å; S87-E89 VanDerWaalsContact OG-N 3.12Å; E89-V91 PolarHBondContact O-N 2.99Å
90G89.5Confident92.1Very high46 Ų4675.3 Ų75.347%0.47443%0.43SS..THydrogen-bonded Turntrans70.19.6-178.500000115.2C88C88-G90 PolarHBondContact O-N 3.36Å
91V93.3Very high92.5Very high21 Ų2175 Ų7513%0.12742%0.418CS..  trans-78.8130.3178.31740000110.8L56 R85 S87 C88 E89 C99L56-V91 HydrophobicContact CD1-CG1 3.9Å; L56-V91 HydrophobicContact CD2-CB 4.22Å; L56-V91 HydrophobicContact CD2-CG1 3.61Å; L56-V91 HydrophobicContact CD2-CG2 3.49Å; L56-V91 VanDerWaalsContact CD2-CG2 3.49Å; L56-V91 HydrophobicContact CG-CG1 3.57Å; L56-V91 HydrophobicContact CG-CG2 4.38Å; R85-V91 HydrophobicContact CB-CG2 4.15Å; R85-V91 HydrophobicContact CG-CG2 4Å; S87-V91 WeakPolarHBondContact O-CG2 2.91Å; C88-V91 PolarHBondContact O-N 2.85Å; E89-V91 PolarHBondContact O-N 2.99Å; V91-C99 HydrophobicContact CB-CB 4.29Å; V91-C99 HydrophobicContact CG1-CB 4.02Å
92K90.9Very high92.6Very high169 Ų16978.6 Ų78.674%0.73543%0.43SS*.  trans-109.6106.7176.3-66.5178.7-176.7171.60110.1G54G54-K92 PolarHBondContact O-N 3.38Å; G54-K92 VanDerWaalsContact O-N 3.12Å
93C92.5Very high92.5Very high35 Ų3580.6 Ų80.624%0.23644%0.444CS..PPolyproline II helixtrans-86.9154.9174.2-61.90000111.6K97 C99 C108C93-K97 HydrophobicContact CB-CB 3.87Å; C93-C99 PolarHBondContact SG-N 3.19Å; C93-C108 WeakPolarHBondContact CA-SG 3.32Å; C93-C108 HydrophobicContact CB-CB 3.8Å; C93-C108 WeakPolarHBondContact CB-SG 3.41Å; C93-C108 VanDerWaalsContact SG-CA 3.55Å; C93-C108 WeakPolarHBondContact SG-CB 3.47Å; C93-C108 CovalentContact SG-SG 2.03Å; C93-C108 PolarHBondContact SG-SG 2.84Å
94S90.5Very high92.2Very high75 Ų7581.1 Ų81.152%0.52446%0.459SS..PPolyproline II helixtrans-59.2158170.3-48.10000111.7G96 K97S94-G96 PolarHBondContact O-N 3.41Å; S94-K97 WeakPolarHBondContact O-CB 3.06Å; S94-K97 PolarHBondContact O-N 2.04Å
95P89.5Confident92Very high133 Ų13386.3 Ų86.386%0.86448%0.476SS*.THydrogen-bonded Turntrans-50.9138.7177.6-27.335.2000112.9K97P95-K97 PolarHBondContact O-N 3.14Å
96G89.2Confident92.1Very high42 Ų4283.8 Ų83.843%0.43347%0.469SS..THydrogen-bonded Turntrans75.56.3-177.600000115S94 S111S94-G96 PolarHBondContact O-N 3.41Å; G96-S111 CarbonylContact O-C 3.01Å; G96-S111 PolarHBondContact O-N 3.33Å
97K94.8Very high92.2Very high79 Ų7981 Ų8134%0.34345%0.451SS..EExtended strand (participates in β ladder)trans-117.8148.1172.4-62.5-176.6-179.1-177.90111.1C93 S94 P95 C108 V109C93-K97 HydrophobicContact CB-CB 3.87Å; S94-K97 WeakPolarHBondContact O-CB 3.06Å; S94-K97 PolarHBondContact O-N 2.04Å; P95-K97 PolarHBondContact O-N 3.14Å; K97-C108 HydrophobicContact CB-CB 4.34Å; K97-C108 HydrophobicContact CD-CB 4.38Å; K97-V109 CarbonylContact C-O 3.6Å; K97-V109 WeakPolarHBondContact CA-O 3.13Å; K97-V109 WeakPolarHBondContact CB-O 3.47Å
98V94.6Very high92.1Very high57 Ų5781.1 Ų81.135%0.34545%0.452SS..EExtended strand (participates in β ladder)trans-126.6145.6175.3-62.30000109.5K100 V109 S111V98-K100 HydrophobicContact CG2-CG 4.23Å; V98-V109 HydrophobicContact CG2-CG2 4.1Å; V98-V109 PolarHBondContact N-O 2.91Å; V98-V109 WeakPolarHBondContact O-CG2 3.04Å; V98-V109 PolarHBondContact O-N 3.09Å; V98-S111 VanDerWaalsContact CG2-CB 3.48Å
99C95.5Very high92.1Very high31 Ų3180.4 Ų80.421%0.20945%0.446CS..EExtended strand (participates in β ladder)trans-75.2129.8174.2-171.90000109.8C88 V91 C93 Q107C88-C99 WeakPolarHBondContact CA-SG 3.34Å; C88-C99 HydrophobicContact CB-CB 3.67Å; C88-C99 WeakPolarHBondContact CB-SG 3.3Å; C88-C99 WeakPolarHBondContact SG-CB 2.99Å; C88-C99 CovalentContact SG-SG 2.04Å; C88-C99 PolarHBondContact SG-SG 3.3Å; V91-C99 HydrophobicContact CB-CB 4.29Å; V91-C99 HydrophobicContact CG1-CB 4.02Å; C93-C99 PolarHBondContact SG-N 3.19Å; C99-Q107 WeakPolarHBondContact CA-O 2.95Å
100K95.7Very high92.2Very high112 Ų11273.6 Ų73.649%0.48742%0.416SS..EExtended strand (participates in β ladder)trans-133.7146.9169.9-65.3-167.4-177.8-178.20110.4C88 V98 K102 Q107 V109C88-K100 PolarHBondContact SG-N 3.26Å; V98-K100 HydrophobicContact CG2-CG 4.23Å; K100-K102 PolarHBondContact O-N 3.41Å; K100-Q107 PolarHBondContact N-O 3.05Å; K100-Q107 PolarHBondContact O-N 3.43Å; K100-V109 HydrophobicContact CB-CG2 4.11Å; K100-V109 HydrophobicContact CD-CG2 3.82Å; K100-V109 HydrophobicContact CG-CG2 3.82Å
101M94.3Very high92.5Very high99 Ų9974 Ų7449%0.48841%0.411SS..EExtended strand (participates in β ladder)trans-75.2117.9169.4-63.1-56.9-71.600109.4D86 R105 P106D86-M101 WeakPolarHBondContact O-CE 3.2Å; M101-R105 CarbonylContact C-O 3.53Å; M101-R105 WeakPolarHBondContact CA-O 3.46Å; M101-P106 HydrophobicContact SD-CB 3.86Å
102K91.8Very high92.5Very high106 Ų10674.3 Ų74.346%0.46141%0.413SS..EExtended strand (participates in β ladder)trans-125.4129.6173.1-81.7-167.3170.4-174.40109.3K100 G104 R105 Q107 V109K100-K102 PolarHBondContact O-N 3.41Å; K102-G104 PolarHBondContact O-N 2.96Å; K102-G104 VanDerWaalsContact O-N 3.14Å; K102-R105 PolarHBondContact N-O 3.15Å; K102-R105 PolarHBondContact O-N 3.35Å; K102-R105 VanDerWaalsContact O-O 3.13Å; K102-Q107 HydrophobicContact CB-CG 4.44Å; K102-V109 HydrophobicContact CD-CG1 4.21Å
103M88.6Confident92.4Very high192 Ų19271.6 Ų71.695%0.94641%0.407SS*.THydrogen-bonded Turntrans49.739.4-178.8-59.6175.163.200112.7R105M103-R105 VanDerWaalsContact C-N 3.34Å; M103-R105 PolarHBondContact O-N 3.13Å
104G87.9Confident92.4Very high64 Ų6470.4 Ų70.466%0.6640%0.399SS*.THydrogen-bonded Turntrans76.89.8-179.800000115.9K102K102-G104 PolarHBondContact O-N 2.96Å; K102-G104 VanDerWaalsContact O-N 3.14Å
105R87.6Confident92.5Very high123 Ų12371.5 Ų71.546%0.46441%0.407SS..EExtended strand (participates in β ladder)trans-130.2148.3-179.4-61.9-174.8-176.7-171.20.9112.7H35 M101 K102 M103H35-R105 PolarHBondContact CD2-NH1 3.01Å; M101-R105 CarbonylContact C-O 3.53Å; M101-R105 WeakPolarHBondContact CA-O 3.46Å; K102-R105 PolarHBondContact N-O 3.15Å; K102-R105 PolarHBondContact O-N 3.35Å; K102-R105 VanDerWaalsContact O-O 3.13Å; M103-R105 VanDerWaalsContact C-N 3.34Å; M103-R105 PolarHBondContact O-N 3.13Å
106P93.4Very high92.5Very high15 Ų1573.4 Ų73.410%0.09740%0.404CS..EExtended strand (participates in β ladder)trans-74.4130.2176.630.3-34.3000110.8L56 R85 S87 M101L56-P106 HydrophobicContact CD2-CB 3.74Å; L56-P106 HydrophobicContact CD2-CG 3.74Å; R85-P106 HydrophobicContact CB-CG 4.48Å; S87-P106 WeakPolarHBondContact O-CB 3.33Å; M101-P106 HydrophobicContact SD-CB 3.86Å
107Q92.7Very high92.4Very high67 Ų6772.8 Ų72.831%0.31339%0.39SS..EExtended strand (participates in β ladder)trans-135.5133.3178.3-65.6-174.93.400110.8C99 K100 K102 V109C99-Q107 WeakPolarHBondContact CA-O 2.95Å; K100-Q107 PolarHBondContact N-O 3.05Å; K100-Q107 PolarHBondContact O-N 3.43Å; K102-Q107 HydrophobicContact CB-CG 4.44Å; Q107-V109 HydrophobicContact CB-CG1 4.26Å; Q107-V109 PolarHBondContact O-N 3.49Å
108C93.6Very high92.1Very high43 Ų4372.5 Ų72.529%0.29140%0.397SS..EExtended strand (participates in β ladder)trans-77.1104.9169.2-71.60000109.5L56 C93 K97L56-C108 HydrophobicContact CD1-CB 4.13Å; L56-C108 VanDerWaalsContact CD1-N 3.3Å; L56-C108 WeakPolarHBondContact CD1-SG 3.4Å; C93-C108 WeakPolarHBondContact CA-SG 3.32Å; C93-C108 HydrophobicContact CB-CB 3.8Å; C93-C108 WeakPolarHBondContact CB-SG 3.41Å; C93-C108 VanDerWaalsContact SG-CA 3.55Å; C93-C108 WeakPolarHBondContact SG-CB 3.47Å; C93-C108 CovalentContact SG-SG 2.03Å; C93-C108 PolarHBondContact SG-SG 2.84Å; K97-C108 HydrophobicContact CB-CB 4.34Å; K97-C108 HydrophobicContact CD-CB 4.38Å
109V94.6Very high91.4Very high25 Ų2576.2 Ų76.215%0.15240%0.404CS..EExtended strand (participates in β ladder)trans-105.1147.2-179.6-61.80000110.8K97 V98 K100 K102 Q107 S111K97-V109 CarbonylContact C-O 3.6Å; K97-V109 WeakPolarHBondContact CA-O 3.13Å; K97-V109 WeakPolarHBondContact CB-O 3.47Å; V98-V109 HydrophobicContact CG2-CG2 4.1Å; V98-V109 PolarHBondContact N-O 2.91Å; V98-V109 WeakPolarHBondContact O-CG2 3.04Å; V98-V109 PolarHBondContact O-N 3.09Å; K100-V109 HydrophobicContact CB-CG2 4.11Å; K100-V109 HydrophobicContact CD-CG2 3.82Å; K100-V109 HydrophobicContact CG-CG2 3.82Å; K102-V109 HydrophobicContact CD-CG1 4.21Å; Q107-V109 HydrophobicContact CB-CG1 4.26Å; Q107-V109 PolarHBondContact O-N 3.49Å; V109-S111 PolarHBondContact O-N 3.5Å
110C96Very high90.8Very high12 Ų1283.7 Ų83.78%0.08143%0.433CS..EExtended strand (participates in β ladder)trans-60130.6174.4-72.70000111.4M139 C142 M143C110-M139 HydrophobicContact CB-CE 3.65Å; C110-M139 HydrophobicContact CB-SD 3.48Å; C110-M139 WeakPolarHBondContact CB-SD 3.15Å; C110-C142 WeakPolarHBondContact CA-SG 3.46Å; C110-C142 HydrophobicContact CB-CB 3.7Å; C110-C142 WeakPolarHBondContact CB-SG 3.45Å; C110-C142 WeakPolarHBondContact SG-CB 3.21Å; C110-C142 PolarHBondContact SG-O 3.23Å; C110-C142 CovalentContact SG-SG 2.04Å; C110-C142 PolarHBondContact SG-SG 2.79Å; C110-M143 HydrophobicContact CB-CG 4.31Å; C110-M143 HydrophobicContact CB-SD 4.05Å
111S95.4Very high90.6Very high54 Ų5484.1 Ų84.138%0.37844%0.437SS..  trans-150.370177.9-1740000108.5G96 V98 V109G96-S111 CarbonylContact O-C 3.01Å; G96-S111 PolarHBondContact O-N 3.33Å; V98-S111 VanDerWaalsContact CG2-CB 3.48Å; V109-S111 PolarHBondContact O-N 3.5Å
112P93Very high90.7Very high27 Ų2780.5 Ų80.518%0.17542%0.422CS..  trans-60.4146174.827.8-34.8000110.3C114 L138 M139P112-C114 PolarHBondContact O-N 2.93Å; P112-L138 HydrophobicContact CB-CB 3.83Å; P112-L138 HydrophobicContact CB-CD1 4.43Å; P112-L138 HydrophobicContact CG-CB 4.08Å; P112-M139 HydrophobicContact CG-CB 4.4Å; P112-M139 HydrophobicContact CG-SD 4.46Å
113D90.2Very high91Very high112 Ų11275.5 Ų75.560%0.59940%0.401SS*.  trans-71.7122170.6-177.612.9000109.3S115D113-S115 WeakPolarHBondContact OD1-CB 3.26Å; D113-S115 PolarHBondContact OD1-N 3.28Å; D113-S115 PolarHBondContact OD1-OG 3.4Å
114C91.8Very high91.5Very high11 Ų1166.3 Ų66.37%0.07436%0.356CS..  trans-129.618.2-178-600000112P112 H116 I117 C135P112-C114 PolarHBondContact O-N 2.93Å; C114-H116 PolarHBondContact O-N 3.17Å; C114-I117 HydrophobicContact CB-CB 4.49Å; C114-I117 HydrophobicContact CB-CD1 4.33Å; C114-I117 PolarHBondContact O-N 3.35Å; C114-C135 HydrophobicContact CB-CB 3.64Å; C114-C135 WeakPolarHBondContact CB-SG 3.47Å; C114-C135 WeakPolarHBondContact SG-CB 3.32Å; C114-C135 CovalentContact SG-SG 2.02Å; C114-C135 PolarHBondContact SG-SG 3.26Å
115S91.8Very high91.9Very high98 Ų9863.3 Ų63.369%0.68532%0.324SS*.THydrogen-bonded Turntrans-65.7-29.9-174.7-50.80000112D113D113-S115 WeakPolarHBondContact OD1-CB 3.26Å; D113-S115 PolarHBondContact OD1-N 3.28Å; D113-S115 PolarHBondContact OD1-OG 3.4Å
116H89.3Confident92.4Very high173 Ų17360.2 Ų60.280%0.80132%0.322SS*.THydrogen-bonded Turntrans-103.68.7-179.7-60-71.8000113.7C114C114-H116 PolarHBondContact O-N 3.17Å
117I88.2Confident92.6Very high28 Ų2863.2 Ų63.214%0.14434%0.337CS..SBendtrans-102.2123.5-174.7-59.4-179.8000110.3C114 R119 E134 C135 L138C114-I117 HydrophobicContact CB-CB 4.49Å; C114-I117 HydrophobicContact CB-CD1 4.33Å; C114-I117 PolarHBondContact O-N 3.35Å; I117-R119 PolarHBondContact O-N 2.02Å; I117-E134 HydrophobicContact CD1-CG 4.31Å; I117-E134 HydrophobicContact CG2-CB 3.71Å; I117-E134 HydrophobicContact CG2-CG 4.26Å; I117-C135 HydrophobicContact CG2-CB 4.45Å; I117-L138 HydrophobicContact CD1-CD1 3.44Å; I117-L138 VanDerWaalsContact CD1-CD1 3.44Å
118P87.3Confident92.7Very high74 Ų7461.8 Ų61.848%0.48134%0.34SS..  trans-60.6122.7174.4-22.533.4000112.4K120 H121P118-K120 VanDerWaalsContact C-N 3.31Å; P118-K120 PolarHBondContact O-N 3.34Å; P118-H121 WeakPolarHBondContact CB-ND1 3.45Å
119R80.6Confident92.9Very high134 Ų13465.7 Ų65.751%0.50635%0.352SS..THydrogen-bonded Turntrans-83.512.2-173.3-66.1-65.4-167.1145.23.3116.3I117 C135I117-R119 PolarHBondContact O-N 2.02Å; R119-C135 PolarHBondContact NH1-SG 3.43Å; R119-C135 PolarHBondContact NH2-SG 3.11Å; R119-C135 VanDerWaalsContact NH2-SG 3.4Å
120K82.4Confident93.1Very high189 Ų18966.9 Ų66.982%0.82236%0.362SS*.THydrogen-bonded Turntrans-135.62.3-172.1-65.5-172.7179.8-1790114.5P118P118-K120 VanDerWaalsContact C-N 3.31Å; P118-K120 PolarHBondContact O-N 3.34Å
121H92.8Very high93.2Very high121 Ų12167.4 Ų67.456%0.5636%0.362SS*.  trans-105.7109.7179-62.6101.3000108.1P118 D133P118-H121 WeakPolarHBondContact CB-ND1 3.45Å; H121-D133 WeakPolarHBondContact O-CA 3.31Å
122A96.6Very high93.2Very high22 Ų2273.6 Ų73.618%0.18238%0.377CS..  trans-59.8155.1175.900000110.9Y131 R132 G154 E155A122-Y131 CarbonylContact C-O 3.56Å; A122-Y131 WeakPolarHBondContact CA-O 3.4Å; A122-Y131 WeakPolarHBondContact CB-O 3.01Å; A122-R132 WeakPolarHBondContact CA-O 3.21Å; A122-R132 PolarHBondContact N-O 2.91Å; A122-G154 CarbonylContact O-C 3.58Å; A122-G154 WeakPolarHBondContact O-CA 3.31Å; A122-G154 PolarHBondContact O-N 2.98Å; A122-E155 HydrophobicContact CB-CG 3.75Å
123V97.4Very high93.4Very high1 Ų172.6 Ų72.61%0.00637%0.371CS..EExtended strand (participates in β ladder)trans-134.7149.9175.1-62.50000110.3Y131 E134 L137 V150 G154V123-Y131 PolarHBondContact N-O 2.9Å; V123-Y131 PolarHBondContact O-N 3.18Å; V123-E134 HydrophobicContact CG1-CB 4.17Å; V123-L137 HydrophobicContact CG2-CB 4.19Å; V123-L137 HydrophobicContact CG2-CD1 3.88Å; V123-V150 HydrophobicContact CB-CG1 4.08Å; V123-V150 HydrophobicContact CB-CG2 4.21Å; V123-V150 HydrophobicContact CG1-CG1 4.19Å; V123-V150 HydrophobicContact CG1-CG2 4.29Å; V123-V150 HydrophobicContact CG2-CG2 4.17Å; V123-G154 CarbonylContact C-O 3.51Å; V123-G154 WeakPolarHBondContact CA-O 3.48Å
124C98.1Very high93.7Very high0 Ų070.5 Ų70.50%036%0.357CS..EExtended strand (participates in β ladder)trans-96121.6171.1-174.70000108.6M151 Y152 G154 C156C124-M151 WeakPolarHBondContact O-CB 3.43Å; C124-M151 PolarHBondContact O-N 2.76Å; C124-M151 WeakPolarHBondContact SG-CE 3.46Å; C124-Y152 HydrophobicContact CB-CD1 4.25Å; C124-Y152 HydrophobicContact CB-CD2 3.71Å; C124-Y152 HydrophobicContact CB-CE1 4.01Å; C124-Y152 HydrophobicContact CB-CE2 3.4Å; C124-Y152 HydrophobicContact CB-CG 4.13Å; C124-Y152 PolarHBondContact N-O 2.03Å; C124-Y152 PolarHBondContact O-N 2.98Å; C124-Y152 PolarHBondContact SG-OH 3.48Å; C124-G154 PolarHBondContact N-O 3.5Å; C124-C156 WeakPolarHBondContact CA-SG 3.38Å; C124-C156 HydrophobicContact CB-CB 4Å; C124-C156 WeakPolarHBondContact CB-SG 3.49Å; C124-C156 WeakPolarHBondContact SG-CA 3.39Å; C124-C156 WeakPolarHBondContact SG-CB 3.48Å; C124-C156 CovalentContact SG-SG 2.04Å; C124-C156 PolarHBondContact SG-SG 3.3Å
125G98.1Very high93.9Very high0 Ų070.4 Ų70.40%036%0.357CS..EExtended strand (participates in β ladder)trans-76.2158.5177.700000112.6D127 G128 K129 E149G125-D127 PolarHBondContact O-N 2.69Å; G125-D127 VanDerWaalsContact O-N 3.16Å; G125-G128 PolarHBondContact O-N 3.48Å; G125-K129 PolarHBondContact N-O 3.07Å; G125-E149 CarbonylContact C-O 3.52Å; G125-E149 VanDerWaalsContact CA-O 3.31Å; G125-E149 WeakPolarHBondContact CA-O 3.22Å
126S97.3Very high94.1Very high59 Ų5966.8 Ų66.841%0.41333%0.333SS..THydrogen-bonded Turntrans-62.8-13.3171.958.20000113.5G128 D147 E149S126-G128 VanDerWaalsContact C-N 3.3Å; S126-D147 PolarHBondContact OG-O 2.7Å; S126-E149 PolarHBondContact N-O 3.47Å; S126-E149 PolarHBondContact OG-N 3.42Å
127D96.6Very high94.5Very high78 Ų7858.6 Ų58.642%0.41729%0.294SS..THydrogen-bonded Turntrans-84.61.4170.969.8-20.6000113.6G125 K129 Y131 L148G125-D127 PolarHBondContact O-N 2.69Å; G125-D127 VanDerWaalsContact O-N 3.16Å; D127-K129 VanDerWaalsContact C-N 3.3Å; D127-K129 PolarHBondContact O-N 3.02Å; D127-K129 WeakPolarHBondContact OD1-CB 3.29Å; D127-K129 PolarHBondContact OD1-N 3.43Å; D127-K129 WeakPolarHBondContact OD2-CB 3.48Å; D127-Y131 PolarHBondContact OD2-OH 3.27Å; D127-L148 HydrophobicContact CB-CD1 3.91Å
128G96.3Very high94.9Very high37 Ų3758.9 Ų58.938%0.38130%0.296SS..SBendtrans76.612.9-178.300000114.3G125 S126 C156G125-G128 PolarHBondContact O-N 3.48Å; S126-G128 VanDerWaalsContact C-N 3.3Å; G128-C156 PolarHBondContact O-SG 2.04Å; G128-C156 VanDerWaalsContact O-SG 3.37Å
129K97.3Very high95.3Very high124 Ų12458.9 Ų58.954%0.53929%0.291SS..  trans-102.1140.3179.4-173.1176.4177.3178.30112.2G125 D127 Y131 C156G125-K129 PolarHBondContact N-O 3.07Å; D127-K129 VanDerWaalsContact C-N 3.3Å; D127-K129 PolarHBondContact O-N 3.02Å; D127-K129 WeakPolarHBondContact OD1-CB 3.29Å; D127-K129 PolarHBondContact OD1-N 3.43Å; D127-K129 WeakPolarHBondContact OD2-CB 3.48Å; K129-Y131 HydrophobicContact CB-CE2 3.94Å; K129-Y131 HydrophobicContact CD-CE2 4.47Å; K129-Y131 HydrophobicContact CG-CE2 4.27Å; K129-Y131 VanDerWaalsContact O-CD2 3.25Å; K129-Y131 WeakPolarHBondContact O-CD2 3.25Å; K129-Y131 WeakPolarHBondContact O-CE2 3.01Å; K129-C156 PolarHBondContact O-SG 3.3Å
130S98Very high96Very high51 Ų5153.5 Ų53.536%0.35728%0.275SS..EExtended strand (participates in β ladder)trans-77.5129.6170.4-59.60000111C156S130-C156 PolarHBondContact OG-N 3.42Å
131Y97.9Very high96.7Very high22 Ų2248.4 Ų48.49%0.08625%0.251CS..EExtended strand (participates in β ladder)trans-110.3140.3171-66.1-97.2000109.3A122 V123 D127 K129 D133 A136 L137 A140 L148A122-Y131 CarbonylContact C-O 3.56Å; A122-Y131 WeakPolarHBondContact CA-O 3.4Å; A122-Y131 WeakPolarHBondContact CB-O 3.01Å; V123-Y131 PolarHBondContact N-O 2.9Å; V123-Y131 PolarHBondContact O-N 3.18Å; D127-Y131 PolarHBondContact OD2-OH 3.27Å; K129-Y131 HydrophobicContact CB-CE2 3.94Å; K129-Y131 HydrophobicContact CD-CE2 4.47Å; K129-Y131 HydrophobicContact CG-CE2 4.27Å; K129-Y131 VanDerWaalsContact O-CD2 3.25Å; K129-Y131 WeakPolarHBondContact O-CD2 3.25Å; K129-Y131 WeakPolarHBondContact O-CE2 3.01Å; Y131-D133 PolarHBondContact O-N 3.32Å; Y131-D133 VanDerWaalsContact O-N 3.17Å; Y131-A136 HydrophobicContact CD1-CB 4.44Å; Y131-L137 HydrophobicContact CD1-CB 3.99Å; Y131-L137 HydrophobicContact CD2-CB 4.13Å; Y131-L137 HydrophobicContact CD2-CD1 3.86Å; Y131-L137 HydrophobicContact CD2-CG 4.18Å; Y131-L137 HydrophobicContact CE1-CB 4.46Å; Y131-L137 HydrophobicContact CE2-CD1 4.16Å; Y131-L137 HydrophobicContact CE2-CG 4.31Å; Y131-L137 HydrophobicContact CG-CB 3.8Å; Y131-L137 HydrophobicContact CG-CD1 4.38Å; Y131-L137 HydrophobicContact CG-CG 4.35Å; Y131-A140 HydrophobicContact CE1-CB 3.59Å; Y131-L148 HydrophobicContact CE1-CD2 4.34Å; Y131-L148 HydrophobicContact CE2-CD1 4.31Å; Y131-L148 HydrophobicContact CE2-CD2 4.34Å; Y131-L148 VanDerWaalsContact OH-CD2 3.26Å; Y131-L148 WeakPolarHBondContact OH-CD2 3.42Å
132R96.9Very high96.9Very high185 Ų18544.2 Ų44.270%0.69823%0.234SC*.SBendtrans-58.9-29.2-178.569.1177.7-174.5-168-4.5113.6A122 A136A122-R132 WeakPolarHBondContact CA-O 3.21Å; A122-R132 PolarHBondContact N-O 2.91Å; R132-A136 HydrophobicContact CG-CB 3.84Å
133D96.8Very high96.8Very high6 Ų649.3 Ų49.33%0.03226%0.256CS..SBendtrans-160165.1176.158.546.7000109.8H121 Y131 C135 A136 L137H121-D133 WeakPolarHBondContact O-CA 3.31Å; Y131-D133 PolarHBondContact O-N 3.32Å; Y131-D133 VanDerWaalsContact O-N 3.17Å; D133-C135 PolarHBondContact O-N 3.03Å; D133-C135 WeakPolarHBondContact OD1-CA 3.47Å; D133-C135 WeakPolarHBondContact OD1-CB 3.34Å; D133-C135 PolarHBondContact OD1-N 3.04Å; D133-C135 VanDerWaalsContact OD1-N 3.17Å; D133-A136 WeakPolarHBondContact O-CB 3.39Å; D133-A136 PolarHBondContact O-N 3.34Å; D133-A136 WeakPolarHBondContact OD1-CB 3.35Å; D133-A136 PolarHBondContact OD1-N 3.36Å; D133-L137 PolarHBondContact O-N 3.25Å
134E96.5Very high96.5Very high68 Ų6851.8 Ų51.832%0.31828%0.282SS..Hα-helixtrans-63.2-29.9178.1177.3177.5-17500112.5I117 V123 A136 L137 L138 V150I117-E134 HydrophobicContact CD1-CG 4.31Å; I117-E134 HydrophobicContact CG2-CB 3.71Å; I117-E134 HydrophobicContact CG2-CG 4.26Å; V123-E134 HydrophobicContact CG1-CB 4.17Å; E134-A136 VanDerWaalsContact C-N 3.34Å; E134-A136 PolarHBondContact O-N 2.99Å; E134-L137 WeakPolarHBondContact O-CB 3.39Å; E134-L137 PolarHBondContact O-N 3.14Å; E134-L138 WeakPolarHBondContact O-CG 3.3Å; E134-L138 PolarHBondContact O-N 3.43Å; E134-V150 HydrophobicContact CG-CG2 3.99Å
135C95.8Very high96.4Very high9 Ų956.7 Ų56.76%0.06131%0.305CS..Hα-helixtrans-65.9-36.8176-176.40000112.3C114 I117 R119 D133 L137 L138 M139C114-C135 HydrophobicContact CB-CB 3.64Å; C114-C135 WeakPolarHBondContact CB-SG 3.47Å; C114-C135 WeakPolarHBondContact SG-CB 3.32Å; C114-C135 CovalentContact SG-SG 2.02Å; C114-C135 PolarHBondContact SG-SG 3.26Å; I117-C135 HydrophobicContact CG2-CB 4.45Å; R119-C135 PolarHBondContact NH1-SG 3.43Å; R119-C135 PolarHBondContact NH2-SG 3.11Å; R119-C135 VanDerWaalsContact NH2-SG 3.4Å; D133-C135 PolarHBondContact O-N 3.03Å; D133-C135 WeakPolarHBondContact OD1-CA 3.47Å; D133-C135 WeakPolarHBondContact OD1-CB 3.34Å; D133-C135 PolarHBondContact OD1-N 3.04Å; D133-C135 VanDerWaalsContact OD1-N 3.17Å; C135-L137 VanDerWaalsContact C-N 3.29Å; C135-L138 PolarHBondContact O-N 3.34Å; C135-M139 WeakPolarHBondContact O-CB 3.47Å; C135-M139 PolarHBondContact O-N 3.3Å
136A96.4Very high96.2Very high22 Ų2261.3 Ų61.318%0.18233%0.334CS..Hα-helixtrans-65.4-35.7174.700000111.3Y131 R132 D133 E134 M139 A140Y131-A136 HydrophobicContact CD1-CB 4.44Å; R132-A136 HydrophobicContact CG-CB 3.84Å; D133-A136 WeakPolarHBondContact O-CB 3.39Å; D133-A136 PolarHBondContact O-N 3.34Å; D133-A136 WeakPolarHBondContact OD1-CB 3.35Å; D133-A136 PolarHBondContact OD1-N 3.36Å; E134-A136 VanDerWaalsContact C-N 3.34Å; E134-A136 PolarHBondContact O-N 2.99Å; A136-M139 PolarHBondContact O-N 3.31Å; A136-A140 PolarHBondContact O-N 3.26Å
137L97.4Very high96.1Very high0 Ų065 Ų650%035%0.35CS..Hα-helixtrans-64.6-48.3171.7-175.1153000111V123 Y131 D133 E134 C135 M139 A140 R141 L148 V150V123-L137 HydrophobicContact CG2-CB 4.19Å; V123-L137 HydrophobicContact CG2-CD1 3.88Å; Y131-L137 HydrophobicContact CD1-CB 3.99Å; Y131-L137 HydrophobicContact CD2-CB 4.13Å; Y131-L137 HydrophobicContact CD2-CD1 3.86Å; Y131-L137 HydrophobicContact CD2-CG 4.18Å; Y131-L137 HydrophobicContact CE1-CB 4.46Å; Y131-L137 HydrophobicContact CE2-CD1 4.16Å; Y131-L137 HydrophobicContact CE2-CG 4.31Å; Y131-L137 HydrophobicContact CG-CB 3.8Å; Y131-L137 HydrophobicContact CG-CD1 4.38Å; Y131-L137 HydrophobicContact CG-CG 4.35Å; D133-L137 PolarHBondContact O-N 3.25Å; E134-L137 WeakPolarHBondContact O-CB 3.39Å; E134-L137 PolarHBondContact O-N 3.14Å; C135-L137 VanDerWaalsContact C-N 3.29Å; L137-M139 VanDerWaalsContact C-N 3.26Å; L137-M139 PolarHBondContact O-N 3.17Å; L137-A140 CarbonylContact O-C 3.55Å; L137-A140 WeakPolarHBondContact O-CB 3.34Å; L137-A140 PolarHBondContact O-N 2.72Å; L137-R141 PolarHBondContact O-N 3.22Å; L137-L148 HydrophobicContact CD1-CG 4.41Å; L137-L148 HydrophobicContact CD2-CD2 4.26Å; L137-L148 HydrophobicContact CD2-CG 3.98Å; L137-L148 HydrophobicContact CG-CD2 3.92Å; L137-L148 HydrophobicContact CG-CG 3.92Å; L137-V150 HydrophobicContact CD1-CG2 3.88Å; L137-V150 HydrophobicContact CD2-CG2 4.43Å
138L95.8Very high96.2Very high35 Ų3561.6 Ų61.618%0.18333%0.332CS..Hα-helixtrans-59.6-36.5176.5-69.9-179.3000112.8P112 I117 E134 C135 R141 C142P112-L138 HydrophobicContact CB-CB 3.83Å; P112-L138 HydrophobicContact CB-CD1 4.43Å; P112-L138 HydrophobicContact CG-CB 4.08Å; I117-L138 HydrophobicContact CD1-CD1 3.44Å; I117-L138 VanDerWaalsContact CD1-CD1 3.44Å; E134-L138 WeakPolarHBondContact O-CG 3.3Å; E134-L138 PolarHBondContact O-N 3.43Å; C135-L138 PolarHBondContact O-N 3.34Å; L138-R141 WeakPolarHBondContact O-CB 3.31Å; L138-R141 PolarHBondContact O-N 2.8Å; L138-C142 PolarHBondContact O-N 3.17Å
139M95.8Very high96.2Very high74 Ų7465.4 Ų65.437%0.36534%0.339SS..Hα-helixtrans-63.7-46173.4-173.166.7179.500111C110 P112 C135 A136 L137 R141 C142 M143C110-M139 HydrophobicContact CB-CE 3.65Å; C110-M139 HydrophobicContact CB-SD 3.48Å; C110-M139 WeakPolarHBondContact CB-SD 3.15Å; P112-M139 HydrophobicContact CG-CB 4.4Å; P112-M139 HydrophobicContact CG-SD 4.46Å; C135-M139 WeakPolarHBondContact O-CB 3.47Å; C135-M139 PolarHBondContact O-N 3.3Å; A136-M139 PolarHBondContact O-N 3.31Å; L137-M139 VanDerWaalsContact C-N 3.26Å; L137-M139 PolarHBondContact O-N 3.17Å; M139-R141 VanDerWaalsContact C-N 3.33Å; M139-R141 PolarHBondContact O-N 3.34Å; M139-C142 PolarHBondContact O-N 3.06Å; M139-M143 HydrophobicContact CE-CG 4.36Å; M139-M143 HydrophobicContact CE-SD 4.32Å; M139-M143 WeakPolarHBondContact O-CG 3.41Å; M139-M143 PolarHBondContact O-N 2.93Å; M139-M143 VanDerWaalsContact O-N 3.07Å
140A96.6Very high96.2Very high21 Ų2161.5 Ų61.517%0.17433%0.326CS..Hα-helixtrans-64-37.2176.800000112.6Y131 A136 L137 M143 H145 L148Y131-A140 HydrophobicContact CE1-CB 3.59Å; A136-A140 PolarHBondContact O-N 3.26Å; L137-A140 CarbonylContact O-C 3.55Å; L137-A140 WeakPolarHBondContact O-CB 3.34Å; L137-A140 PolarHBondContact O-N 2.72Å; A140-M143 PolarHBondContact O-N 3.33Å; A140-H145 PolarHBondContact O-ND1 2.74Å; A140-H145 VanDerWaalsContact O-ND1 3.08Å; A140-L148 HydrophobicContact CB-CD2 3.82Å
141R96.6Very high96.1Very high82 Ų8260.1 Ų60.131%0.30931%0.314SS..Hα-helixtrans-56.6-53.4172.4179.8-169.7-73.4-173-10.5110.6L137 L138 M139 M143 G144 H145 L148L137-R141 PolarHBondContact O-N 3.22Å; L138-R141 WeakPolarHBondContact O-CB 3.31Å; L138-R141 PolarHBondContact O-N 2.8Å; M139-R141 VanDerWaalsContact C-N 3.33Å; M139-R141 PolarHBondContact O-N 3.34Å; R141-M143 VanDerWaalsContact C-N 3.26Å; R141-M143 PolarHBondContact O-N 3.46Å; R141-G144 PolarHBondContact O-N 2.83Å; R141-H145 VanDerWaalsContact CA-O 3.25Å; R141-H145 WeakPolarHBondContact CA-O 3.43Å; R141-H145 VanDerWaalsContact CG-O 3.29Å; R141-H145 WeakPolarHBondContact CG-O 3.26Å; R141-H145 CarbonylContact O-C 3.59Å; R141-H145 PolarHBondContact O-N 3.05Å; R141-L148 HydrophobicContact CB-CB 4.31Å; R141-L148 PolarHBondContact NE-O 3.31Å; R141-L148 PolarHBondContact NH2-O 3.37Å
142C96Very high96.1Very high32 Ų3259.4 Ų59.422%0.21631%0.311CS..Hα-helixtrans-62-31.6-180177.20000113.6C110 L138 M139 G144C110-C142 WeakPolarHBondContact CA-SG 3.46Å; C110-C142 HydrophobicContact CB-CB 3.7Å; C110-C142 WeakPolarHBondContact CB-SG 3.45Å; C110-C142 WeakPolarHBondContact SG-CB 3.21Å; C110-C142 PolarHBondContact SG-O 3.23Å; C110-C142 CovalentContact SG-SG 2.04Å; C110-C142 PolarHBondContact SG-SG 2.79Å; L138-C142 PolarHBondContact O-N 3.17Å; M139-C142 PolarHBondContact O-N 3.06Å; C142-G144 VanDerWaalsContact C-N 3.3Å; C142-G144 PolarHBondContact O-N 3.08Å
143M94.4Very high96.1Very high129 Ų12956.5 Ų56.564%0.63531%0.306SS*.THydrogen-bonded Turntrans-78.6-7.4-176.7-71.7-69-68.600114.4C110 M139 A140 R141C110-M143 HydrophobicContact CB-CG 4.31Å; C110-M143 HydrophobicContact CB-SD 4.05Å; M139-M143 HydrophobicContact CE-CG 4.36Å; M139-M143 HydrophobicContact CE-SD 4.32Å; M139-M143 WeakPolarHBondContact O-CG 3.41Å; M139-M143 PolarHBondContact O-N 2.93Å; M139-M143 VanDerWaalsContact O-N 3.07Å; A140-M143 PolarHBondContact O-N 3.33Å; R141-M143 VanDerWaalsContact C-N 3.26Å; R141-M143 PolarHBondContact O-N 3.46Å
144G92.6Very high96.1Very high54 Ų5457.6 Ų57.656%0.55732%0.318SS*.THydrogen-bonded Turntrans1509.8176.200000116.4R141 C142 P146R141-G144 PolarHBondContact O-N 2.83Å; C142-G144 VanDerWaalsContact C-N 3.3Å; C142-G144 PolarHBondContact O-N 3.08Å; G144-P146 VanDerWaalsContact C-CD 3.5Å; G144-P146 WeakPolarHBondContact O-CD 3.2Å
145H95.3Very high96.1Very high103 Ų10359.7 Ų59.748%0.47733%0.328SS..  trans-12269.5-179.8-52.885000109.7A140 R141 D147 L148A140-H145 PolarHBondContact O-ND1 2.74Å; A140-H145 VanDerWaalsContact O-ND1 3.08Å; R141-H145 VanDerWaalsContact CA-O 3.25Å; R141-H145 WeakPolarHBondContact CA-O 3.43Å; R141-H145 VanDerWaalsContact CG-O 3.29Å; R141-H145 WeakPolarHBondContact CG-O 3.26Å; R141-H145 CarbonylContact O-C 3.59Å; R141-H145 PolarHBondContact O-N 3.05Å; H145-D147 PolarHBondContact O-N 3.12Å; H145-D147 VanDerWaalsContact O-N 3.14Å; H145-L148 HydrophobicContact CB-CB 3.72Å; H145-L148 HydrophobicContact CB-CD2 4.19Å; H145-L148 WeakPolarHBondContact O-CB 3.13Å; H145-L148 PolarHBondContact O-N 3.05Å
146P93.4Very high96.2Very high96 Ų9660.9 Ų60.962%0.62334%0.336SS*.THydrogen-bonded Turntrans-57.5-32.7-169.822.9-33.8000113.7G144G144-P146 VanDerWaalsContact C-CD 3.5Å; G144-P146 WeakPolarHBondContact O-CD 3.2Å
147D96.1Very high96.3Very high138 Ų13863.7 Ų63.774%0.73834%0.344SS*.THydrogen-bonded Turntrans-92.77.2-178.4-48.6-49.9000113.6S126 H145 E149S126-D147 PolarHBondContact OG-O 2.7Å; H145-D147 PolarHBondContact O-N 3.12Å; H145-D147 VanDerWaalsContact O-N 3.14Å; D147-E149 PolarHBondContact O-N 2.85Å
148L97.6Very high96.2Very high6 Ų670.2 Ų70.23%0.03137%0.372CS..  trans-71.7119-179.9176.264.4000110.2D127 Y131 L137 A140 R141 H145D127-L148 HydrophobicContact CB-CD1 3.91Å; Y131-L148 HydrophobicContact CE1-CD2 4.34Å; Y131-L148 HydrophobicContact CE2-CD1 4.31Å; Y131-L148 HydrophobicContact CE2-CD2 4.34Å; Y131-L148 VanDerWaalsContact OH-CD2 3.26Å; Y131-L148 WeakPolarHBondContact OH-CD2 3.42Å; L137-L148 HydrophobicContact CD1-CG 4.41Å; L137-L148 HydrophobicContact CD2-CD2 4.26Å; L137-L148 HydrophobicContact CD2-CG 3.98Å; L137-L148 HydrophobicContact CG-CD2 3.92Å; L137-L148 HydrophobicContact CG-CG 3.92Å; A140-L148 HydrophobicContact CB-CD2 3.82Å; R141-L148 HydrophobicContact CB-CB 4.31Å; R141-L148 PolarHBondContact NE-O 3.31Å; R141-L148 PolarHBondContact NH2-O 3.37Å; H145-L148 HydrophobicContact CB-CB 3.72Å; H145-L148 HydrophobicContact CB-CD2 4.19Å; H145-L148 WeakPolarHBondContact O-CB 3.13Å; H145-L148 PolarHBondContact O-N 3.05Å
149E96.8Very high96.3Very high117 Ų11770.9 Ų70.955%0.54738%0.38SS..  trans-126162.9-179-49.9-159.8135.100111.9G125 S126 D147 M151G125-E149 CarbonylContact C-O 3.52Å; G125-E149 VanDerWaalsContact CA-O 3.31Å; G125-E149 WeakPolarHBondContact CA-O 3.22Å; S126-E149 PolarHBondContact N-O 3.47Å; S126-E149 PolarHBondContact OG-N 3.42Å; D147-E149 PolarHBondContact O-N 2.85Å; E149-M151 PolarHBondContact O-N 2.9Å
150V97.1Very high96.3Very high42 Ų4269.3 Ų69.326%0.25538%0.375SS..EExtended strand (participates in β ladder)trans-72.4117.5168.51750000108V123 E134 L137V123-V150 HydrophobicContact CB-CG1 4.08Å; V123-V150 HydrophobicContact CB-CG2 4.21Å; V123-V150 HydrophobicContact CG1-CG1 4.19Å; V123-V150 HydrophobicContact CG1-CG2 4.29Å; V123-V150 HydrophobicContact CG2-CG2 4.17Å; E134-V150 HydrophobicContact CG-CG2 3.99Å; L137-V150 HydrophobicContact CD1-CG2 3.88Å; L137-V150 HydrophobicContact CD2-CG2 4.43Å
151M97.4Very high96.2Very high22 Ų2273 Ų7311%0.10840%0.4CS..EExtended strand (participates in β ladder)trans-83.2-43.1176.2-174.5172.549.400111.6C124 E149 P166 H180 C181C124-M151 WeakPolarHBondContact O-CB 3.43Å; C124-M151 PolarHBondContact O-N 2.76Å; C124-M151 WeakPolarHBondContact SG-CE 3.46Å; E149-M151 PolarHBondContact O-N 2.9Å; M151-P166 WeakPolarHBondContact O-CD 3.43Å; M151-H180 HydrophobicContact CE-CB 4.46Å; M151-H180 VanDerWaalsContact SD-CA 3.57Å; M151-H180 HydrophobicContact SD-CB 3.9Å; M151-C181 HydrophobicContact CG-CB 3.87Å; M151-C181 PolarHBondContact SD-N 2.89Å
152Y97.4Very high96.1Very high6 Ų675.9 Ų75.92%0.02442%0.422CS..EExtended strand (participates in β ladder)trans-158.6164.7170.253.2-97.9000111.8C124 C156 K157 V163 A179 C181C124-Y152 HydrophobicContact CB-CD1 4.25Å; C124-Y152 HydrophobicContact CB-CD2 3.71Å; C124-Y152 HydrophobicContact CB-CE1 4.01Å; C124-Y152 HydrophobicContact CB-CE2 3.4Å; C124-Y152 HydrophobicContact CB-CG 4.13Å; C124-Y152 PolarHBondContact N-O 2.03Å; C124-Y152 PolarHBondContact O-N 2.98Å; C124-Y152 PolarHBondContact SG-OH 3.48Å; Y152-C156 VanDerWaalsContact OH-CA 3.3Å; Y152-C156 WeakPolarHBondContact OH-CA 2.99Å; Y152-K157 HydrophobicContact CE2-CG 4.43Å; Y152-K157 PolarHBondContact OH-N 3.5Å; Y152-V163 HydrophobicContact CD1-CG1 3.84Å; Y152-V163 HydrophobicContact CD2-CG1 4.21Å; Y152-V163 HydrophobicContact CE1-CG1 3.94Å; Y152-V163 HydrophobicContact CE2-CG1 4.32Å; Y152-V163 HydrophobicContact CE2-CG2 4.33Å; Y152-V163 HydrophobicContact CG-CG1 3.96Å; Y152-A179 WeakPolarHBondContact CE1-O 3.34Å; Y152-A179 PolarHBondContact OH-O 3.49Å; Y152-C181 HydrophobicContact CD1-CB 4.35Å; Y152-C181 WeakPolarHBondContact CD1-SG 2.98Å
153Q96.5Very high96.1Very high125 Ų12575.2 Ų75.258%0.58442%0.417SS*.EExtended strand (participates in β ladder)trans-75.8144.2178.1-63.4-64.6-28.900111.6
154G96.1Very high96.2Very high28 Ų2875.1 Ų75.129%0.28942%0.423SS..SBendtrans88175.7-17400000113.2A122 V123 C124A122-G154 CarbonylContact O-C 3.58Å; A122-G154 WeakPolarHBondContact O-CA 3.31Å; A122-G154 PolarHBondContact O-N 2.98Å; V123-G154 CarbonylContact C-O 3.51Å; V123-G154 WeakPolarHBondContact CA-O 3.48Å; C124-G154 PolarHBondContact N-O 3.5Å
155E97.4Very high96.4Very high113 Ų11373.6 Ų73.653%0.52840%0.404SS..SBendtrans-66.5152.5175.4-61.8-175.5149.200112.4A122 K157A122-E155 HydrophobicContact CB-CG 3.75Å; E155-K157 WeakPolarHBondContact O-CD 3.43Å; E155-K157 WeakPolarHBondContact O-CE 3.25Å; E155-K157 WeakPolarHBondContact O-CG 3.04Å; E155-K157 PolarHBondContact O-N 2.87Å
156C97.9Very high96.4Very high33 Ų3371.8 Ų71.822%0.22340%0.401CS..  trans-58.2135.5173.7-60.10000111.7C124 G128 K129 S130 Y152C124-C156 WeakPolarHBondContact CA-SG 3.38Å; C124-C156 HydrophobicContact CB-CB 4Å; C124-C156 WeakPolarHBondContact CB-SG 3.49Å; C124-C156 WeakPolarHBondContact SG-CA 3.39Å; C124-C156 WeakPolarHBondContact SG-CB 3.48Å; C124-C156 CovalentContact SG-SG 2.04Å; C124-C156 PolarHBondContact SG-SG 3.3Å; G128-C156 PolarHBondContact O-SG 2.04Å; G128-C156 VanDerWaalsContact O-SG 3.37Å; K129-C156 PolarHBondContact O-SG 3.3Å; S130-C156 PolarHBondContact OG-N 3.42Å; Y152-C156 VanDerWaalsContact OH-CA 3.3Å; Y152-C156 WeakPolarHBondContact OH-CA 2.99Å
157K97.7Very high96.4Very high81 Ų8171.1 Ų71.135%0.35241%0.412SS..  trans-109.6159.1-173.8-56.6-55.3-179-1720112.4Y152 E155 V163 A179Y152-K157 HydrophobicContact CE2-CG 4.43Å; Y152-K157 PolarHBondContact OH-N 3.5Å; E155-K157 WeakPolarHBondContact O-CD 3.43Å; E155-K157 WeakPolarHBondContact O-CE 3.25Å; E155-K157 WeakPolarHBondContact O-CG 3.04Å; E155-K157 PolarHBondContact O-N 2.87Å; K157-V163 HydrophobicContact CB-CG2 3.73Å; K157-V163 HydrophobicContact CG-CG2 3.75Å; K157-A179 HydrophobicContact CB-CB 4.35Å; K157-A179 PolarHBondContact O-N 2.85Å
158K96.4Very high96.3Very high138 Ų13870.1 Ų70.160%0.641%0.41SS*.SBendtrans-100.416.5176.3-65.8-63-173.2178.90113.7N177 S178K158-N177 CarbonylContact C-O 2.86Å; K158-N177 WeakPolarHBondContact CA-O 3.08Å; K158-N177 WeakPolarHBondContact O-CB 3.45Å; K158-S178 PolarHBondContact NZ-OG 3.37Å
159S96.5Very high96.3Very high48 Ų4873.1 Ų73.134%0.33642%0.424SS..SBendtrans-165.3164.1170.5750000109.9S161 V163 A179S159-S161 VanDerWaalsContact C-N 3.32Å; S159-S161 PolarHBondContact OG-N 2.84Å; S159-S161 PolarHBondContact OG-OG 3.4Å; S159-V163 WeakPolarHBondContact O-CG2 3.48Å; S159-A179 WeakPolarHBondContact O-CB 3.35Å
160C97.3Very high96.4Very high41 Ų4169 Ų6928%0.27741%0.407SS..SBendtrans-82.2-2175.7-73.90000114.7N162 V163 C171C160-N162 PolarHBondContact O-N 2.95Å; C160-N162 VanDerWaalsContact O-N 3.16Å; C160-V163 PolarHBondContact O-N 3.33Å; C160-C171 WeakPolarHBondContact CA-SG 3.49Å; C160-C171 HydrophobicContact CB-CB 3.7Å; C160-C171 WeakPolarHBondContact CB-SG 3.42Å; C160-C171 WeakPolarHBondContact SG-CB 3.45Å; C160-C171 CovalentContact SG-SG 2.04Å; C160-C171 PolarHBondContact SG-SG 2.03Å
161S94.3Very high96.4Very high99 Ų9968 Ų6869%0.69240%0.401SS*.THydrogen-bonded Turntrans-61.1-30-171-52.70000114.3S159S159-S161 VanDerWaalsContact C-N 3.32Å; S159-S161 PolarHBondContact OG-N 2.84Å; S159-S161 PolarHBondContact OG-OG 3.4Å
162N93.1Very high96.4Very high143 Ų14368.1 Ų68.177%0.76540%0.404SS*.THydrogen-bonded Turntrans-129.527.7-178.2-64.2-46.6000111.9C160C160-N162 PolarHBondContact O-N 2.95Å; C160-N162 VanDerWaalsContact O-N 3.16Å
163V96.9Very high96.5Very high18 Ų1869.2 Ų69.211%0.10941%0.411CS..  trans-104.8120.9178.2176.40000108.6Y152 K157 S159 C160 C171 A179Y152-V163 HydrophobicContact CD1-CG1 3.84Å; Y152-V163 HydrophobicContact CD2-CG1 4.21Å; Y152-V163 HydrophobicContact CE1-CG1 3.94Å; Y152-V163 HydrophobicContact CE2-CG1 4.32Å; Y152-V163 HydrophobicContact CE2-CG2 4.33Å; Y152-V163 HydrophobicContact CG-CG1 3.96Å; K157-V163 HydrophobicContact CB-CG2 3.73Å; K157-V163 HydrophobicContact CG-CG2 3.75Å; S159-V163 WeakPolarHBondContact O-CG2 3.48Å; C160-V163 PolarHBondContact O-N 3.33Å; V163-C171 HydrophobicContact CG1-CB 4.45Å; V163-A179 HydrophobicContact CG2-CB 3.87Å
164V96.3Very high96.4Very high127 Ų12765.2 Ų65.277%0.7739%0.393SS*.  trans-103.7107.8173.6-177.80000107.7
165C97.3Very high96.3Very high22 Ų2272 Ų7215%0.14942%0.418CS..  trans-79.8141.8179.4-67.80000111.7H169 C171 C181C165-H169 HydrophobicContact CB-CB 3.67Å; C165-H169 WeakPolarHBondContact CB-O 3.37Å; C165-C171 VanDerWaalsContact SG-CA 3.59Å; C165-C171 PolarHBondContact SG-N 2.94Å; C165-C181 WeakPolarHBondContact CA-SG 3.41Å; C165-C181 HydrophobicContact CB-CB 3.66Å; C165-C181 WeakPolarHBondContact CB-SG 3.04Å; C165-C181 VanDerWaalsContact SG-CA 3.51Å; C165-C181 WeakPolarHBondContact SG-CB 3.46Å; C165-C181 CovalentContact SG-SG 2.03Å; C165-C181 PolarHBondContact SG-SG 3.06Å
166P95.3Very high96.2Very high65 Ų6570.2 Ų70.242%0.42242%0.415SS..SBendtrans-71.9143.7-178.828.4-34.1000112.2M151 T168 H169M151-P166 WeakPolarHBondContact O-CD 3.43Å; P166-T168 PolarHBondContact O-N 3.05Å; P166-H169 VanDerWaalsContact O-CB 3.32Å; P166-H169 WeakPolarHBondContact O-CB 3.05Å; P166-H169 PolarHBondContact O-N 3.16Å; P166-H169 PolarHBondContact O-ND1 2.95Å
167G94Very high96.1Very high82 Ų8273.4 Ų73.485%0.84543%0.429SS*.THydrogen-bonded Turntrans59.1-125.3174.700000113.1
168T93.9Very high96Very high116 Ų11670.6 Ų70.671%0.71242%0.42SS*.THydrogen-bonded Turntrans-96.914.2-179.656.80000113.4P166 M183P166-T168 PolarHBondContact O-N 3.05Å; T168-M183 VanDerWaalsContact O-CE 3.3Å; T168-M183 WeakPolarHBondContact O-CE 3.44Å; T168-M183 WeakPolarHBondContact OG1-CE 3.3Å
169H97.1Very high96.1Very high70 Ų7064.2 Ų64.232%0.32439%0.393SS..  trans-70143.1-178.8-69.775.8000110.1C165 P166 C181 V182 M183C165-H169 HydrophobicContact CB-CB 3.67Å; C165-H169 WeakPolarHBondContact CB-O 3.37Å; P166-H169 VanDerWaalsContact O-CB 3.32Å; P166-H169 WeakPolarHBondContact O-CB 3.05Å; P166-H169 PolarHBondContact O-N 3.16Å; P166-H169 PolarHBondContact O-ND1 2.95Å; H169-C181 HydrophobicContact CB-CB 4.05Å; H169-V182 CarbonylContact C-O 3.34Å; H169-V182 WeakPolarHBondContact CA-O 3.4Å; H169-M183 HydrophobicContact CB-CE 3.7Å; H169-M183 VanDerWaalsContact CD2-CE 3.43Å; H169-M183 WeakPolarHBondContact CD2-CE 3.35Å; H169-M183 VanDerWaalsContact CE1-CE 3.41Å; H169-M183 WeakPolarHBondContact CE1-CE 3.41Å; H169-M183 WeakPolarHBondContact ND1-CE 3.48Å
170T97.7Very high96.2Very high30 Ų3063.9 Ų63.918%0.18439%0.386CS..EExtended strand (participates in β ladder)trans-106.4137.8175.2-57.10000108.9V182 C184 C217T170-V182 PolarHBondContact N-O 3.49Å; T170-V182 PolarHBondContact O-N 3.09Å; T170-C184 WeakPolarHBondContact CB-SG 3.45Å; T170-C217 WeakPolarHBondContact CG2-O 3.3Å
171C98.3Very high96.2Very high20 Ų2062.5 Ų62.514%0.13538%0.377CS..EExtended strand (participates in β ladder)trans-77.4129.8174.7-172.10000110.2C160 V163 C165 H180 G220C160-C171 WeakPolarHBondContact CA-SG 3.49Å; C160-C171 HydrophobicContact CB-CB 3.7Å; C160-C171 WeakPolarHBondContact CB-SG 3.42Å; C160-C171 WeakPolarHBondContact SG-CB 3.45Å; C160-C171 CovalentContact SG-SG 2.04Å; C160-C171 PolarHBondContact SG-SG 2.03Å; V163-C171 HydrophobicContact CG1-CB 4.45Å; C165-C171 VanDerWaalsContact SG-CA 3.59Å; C165-C171 PolarHBondContact SG-N 2.94Å; C171-H180 CarbonylContact C-O 3.58Å; C171-H180 WeakPolarHBondContact CA-O 3.45Å; C171-G220 VanDerWaalsContact O-CA 3.29Å; C171-G220 WeakPolarHBondContact O-CA 3.39Å
172V97.9Very high96.3Very high26 Ų2660.1 Ų60.116%0.15836%0.358CS..EExtended strand (participates in β ladder)trans-128150.1173.4-580000110.2A179 H180 V182 C217 G220V172-A179 CarbonylContact O-C 3.57Å; V172-A179 WeakPolarHBondContact O-CA 3.06Å; V172-H180 HydrophobicContact CG2-CB 4.01Å; V172-H180 PolarHBondContact N-O 3.41Å; V172-H180 PolarHBondContact O-N 2.05Å; V172-V182 HydrophobicContact CB-CG2 4.37Å; V172-V182 HydrophobicContact CG1-CG2 3.68Å; V172-V182 HydrophobicContact CG2-CG1 3.98Å; V172-V182 HydrophobicContact CG2-CG2 3.72Å; V172-C217 WeakPolarHBondContact CG1-O 3.43Å; V172-G220 CarbonylContact C-O 3.49Å; V172-G220 VanDerWaalsContact CA-O 3.28Å; V172-G220 WeakPolarHBondContact CA-O 3.06Å
173T97.7Very high96.5Very high28 Ų2858.1 Ų58.117%0.17235%0.345CS..EExtended strand (participates in β ladder)trans-106.2139.317155.70000111.8S178 G220T173-S178 VanDerWaalsContact CA-O 3.31Å; T173-S178 WeakPolarHBondContact CA-O 3.36Å; T173-G220 PolarHBondContact N-O 3.1Å; T173-G220 PolarHBondContact OG1-O 2.89Å
174D95.4Very high96.5Very high41 Ų4157.8 Ų57.822%0.21934%0.343CS..  trans-80.9-178.6170.469.226.4000112.7T176 N177 S178 H180D174-T176 PolarHBondContact O-N 3.43Å; D174-T176 VanDerWaalsContact O-N 3.13Å; D174-T176 VanDerWaalsContact OD1-C 3.3Å; D174-T176 VanDerWaalsContact OD1-CA 3.22Å; D174-T176 WeakPolarHBondContact OD1-CA 3.08Å; D174-T176 WeakPolarHBondContact OD1-CB 3.35Å; D174-T176 PolarHBondContact OD1-N 3.45Å; D174-T176 PolarHBondContact OD1-OG1 3.05Å; D174-T176 PolarHBondContact OD2-OG1 3.34Å; D174-N177 WeakPolarHBondContact O-CA 3.02Å; D174-N177 PolarHBondContact O-N 3.36Å; D174-N177 PolarHBondContact OD1-N 3.45Å; D174-S178 PolarHBondContact N-O 3.01Å; D174-S178 PolarHBondContact OD1-N 2.04Å; D174-S178 WeakPolarHBondContact OD2-CB 3.21Å; D174-H180 IonicContact OD2-CD2 3.75Å; D174-H180 IonicContact OD2-CE1 2.85Å; D174-H180 IonicContact OD2-NE2 3.76Å; D174-H180 PolarHBondContact OD2-NE2 2.8Å
175Q94.1Very high96.5Very high172 Ų17257 Ų5780%0.80433%0.327SS*.THydrogen-bonded Turntrans-63.5-14.8178.570.6-80.14.400114.5
176T95.3Very high96.3Very high75 Ų7561.3 Ų61.346%0.4635%0.352SS..THydrogen-bonded Turntrans-9911.1175.374.10000112.3D174 S178D174-T176 PolarHBondContact O-N 3.43Å; D174-T176 VanDerWaalsContact O-N 3.13Å; D174-T176 VanDerWaalsContact OD1-C 3.3Å; D174-T176 VanDerWaalsContact OD1-CA 3.22Å; D174-T176 WeakPolarHBondContact OD1-CA 3.08Å; D174-T176 WeakPolarHBondContact OD1-CB 3.35Å; D174-T176 PolarHBondContact OD1-N 3.45Å; D174-T176 PolarHBondContact OD1-OG1 3.05Å; D174-T176 PolarHBondContact OD2-OG1 3.34Å; T176-S178 PolarHBondContact O-N 2.92Å; T176-S178 PolarHBondContact OG1-OG 2.92Å
177N95.1Very high96.3Very high99 Ų9960.8 Ų60.853%0.52935%0.35SS..  trans6112.3-171.9-60-36.3000114.5K158 D174 A179K158-N177 CarbonylContact C-O 2.86Å; K158-N177 WeakPolarHBondContact CA-O 3.08Å; K158-N177 WeakPolarHBondContact O-CB 3.45Å; D174-N177 WeakPolarHBondContact O-CA 3.02Å; D174-N177 PolarHBondContact O-N 3.36Å; D174-N177 PolarHBondContact OD1-N 3.45Å; N177-A179 PolarHBondContact O-N 3.17Å
178S96.6Very high96.3Very high23 Ų2361.9 Ų61.916%0.16134%0.342CS..  trans-70.8133.3177.2-49.10000109.7K158 T173 D174 T176 H180K158-S178 PolarHBondContact NZ-OG 3.37Å; T173-S178 VanDerWaalsContact CA-O 3.31Å; T173-S178 WeakPolarHBondContact CA-O 3.36Å; D174-S178 PolarHBondContact N-O 3.01Å; D174-S178 PolarHBondContact OD1-N 2.04Å; D174-S178 WeakPolarHBondContact OD2-CB 3.21Å; T176-S178 PolarHBondContact O-N 2.92Å; T176-S178 PolarHBondContact OG1-OG 2.92Å; S178-H180 PolarHBondContact O-CD2 2.83Å; S178-H180 PolarHBondContact O-NE2 3.39Å
179A98.1Very high96.3Very high3 Ų356.8 Ų56.83%0.02531%0.311CS..EExtended strand (participates in β ladder)trans-88.9133.1-175.700000111.6Y152 K157 S159 V163 V172 N177Y152-A179 WeakPolarHBondContact CE1-O 3.34Å; Y152-A179 PolarHBondContact OH-O 3.49Å; K157-A179 HydrophobicContact CB-CB 4.35Å; K157-A179 PolarHBondContact O-N 2.85Å; S159-A179 WeakPolarHBondContact O-CB 3.35Å; V163-A179 HydrophobicContact CG2-CB 3.87Å; V172-A179 CarbonylContact O-C 3.57Å; V172-A179 WeakPolarHBondContact O-CA 3.06Å; N177-A179 PolarHBondContact O-N 3.17Å
180H97.9Very high96Very high42 Ų4256.8 Ų56.819%0.19432%0.318CS..EExtended strand (participates in β ladder)trans-130.8140.1-176.3-57.9-84.6000110.7M151 C171 V172 D174 S178 V182M151-H180 HydrophobicContact CE-CB 4.46Å; M151-H180 VanDerWaalsContact SD-CA 3.57Å; M151-H180 HydrophobicContact SD-CB 3.9Å; C171-H180 CarbonylContact C-O 3.58Å; C171-H180 WeakPolarHBondContact CA-O 3.45Å; V172-H180 HydrophobicContact CG2-CB 4.01Å; V172-H180 PolarHBondContact N-O 3.41Å; V172-H180 PolarHBondContact O-N 2.05Å; D174-H180 IonicContact OD2-CD2 3.75Å; D174-H180 IonicContact OD2-CE1 2.85Å; D174-H180 IonicContact OD2-NE2 3.76Å; D174-H180 PolarHBondContact OD2-NE2 2.8Å; S178-H180 PolarHBondContact O-CD2 2.83Å; S178-H180 PolarHBondContact O-NE2 3.39Å; H180-V182 HydrophobicContact CB-CG1 4.28Å
181C98.2Very high95.2Very high12 Ų1262.2 Ų62.28%0.08135%0.35CS..EExtended strand (participates in β ladder)trans-99114.2173.7-69.90000109.6M151 Y152 C165 H169M151-C181 HydrophobicContact CG-CB 3.87Å; M151-C181 PolarHBondContact SD-N 2.89Å; Y152-C181 HydrophobicContact CD1-CB 4.35Å; Y152-C181 WeakPolarHBondContact CD1-SG 2.98Å; C165-C181 WeakPolarHBondContact CA-SG 3.41Å; C165-C181 HydrophobicContact CB-CB 3.66Å; C165-C181 WeakPolarHBondContact CB-SG 3.04Å; C165-C181 VanDerWaalsContact SG-CA 3.51Å; C165-C181 WeakPolarHBondContact SG-CB 3.46Å; C165-C181 CovalentContact SG-SG 2.03Å; C165-C181 PolarHBondContact SG-SG 3.06Å; H169-C181 HydrophobicContact CB-CB 4.05Å
182V96.9Very high94.2Very high49 Ų4965 Ų6530%0.29737%0.366SS..EExtended strand (participates in β ladder)trans-126.8156.1-173.2-59.50000112.1H169 T170 V172 H180 C184H169-V182 CarbonylContact C-O 3.34Å; H169-V182 WeakPolarHBondContact CA-O 3.4Å; T170-V182 PolarHBondContact N-O 3.49Å; T170-V182 PolarHBondContact O-N 3.09Å; V172-V182 HydrophobicContact CB-CG2 4.37Å; V172-V182 HydrophobicContact CG1-CG2 3.68Å; V172-V182 HydrophobicContact CG2-CG1 3.98Å; V172-V182 HydrophobicContact CG2-CG2 3.72Å; H180-V182 HydrophobicContact CB-CG1 4.28Å; V182-C184 PolarHBondContact O-N 3.13Å
183M96.6Very high92.6Very high101 Ų10169.5 Ų69.550%0.49841%0.407SS..  trans-83.8103.2170.9-67.2-81.181.900110T168 H169T168-M183 VanDerWaalsContact O-CE 3.3Å; T168-M183 WeakPolarHBondContact O-CE 3.44Å; T168-M183 WeakPolarHBondContact OG1-CE 3.3Å; H169-M183 HydrophobicContact CB-CE 3.7Å; H169-M183 VanDerWaalsContact CD2-CE 3.43Å; H169-M183 WeakPolarHBondContact CD2-CE 3.35Å; H169-M183 VanDerWaalsContact CE1-CE 3.41Å; H169-M183 WeakPolarHBondContact CE1-CE 3.41Å; H169-M183 WeakPolarHBondContact ND1-CE 3.48Å
184C97.2Very high91Very high10 Ų1073.4 Ų73.47%0.06844%0.435CS..  trans-68.4146170.7-630000111T170 V182 T186 C217 F218T170-C184 WeakPolarHBondContact CB-SG 3.45Å; V182-C184 PolarHBondContact O-N 3.13Å; C184-T186 PolarHBondContact O-N 2.99Å; C184-C217 WeakPolarHBondContact CA-SG 3.29Å; C184-C217 HydrophobicContact CB-CB 3.88Å; C184-C217 WeakPolarHBondContact CB-SG 3.35Å; C184-C217 WeakPolarHBondContact SG-CB 3.44Å; C184-C217 CovalentContact SG-SG 2.03Å; C184-C217 PolarHBondContact SG-SG 3.31Å; C184-F218 HydrophobicContact CB-CD1 4.14Å; C184-F218 HydrophobicContact CB-CD2 4.31Å; C184-F218 HydrophobicContact CB-CE1 3.69Å; C184-F218 HydrophobicContact CB-CE2 3.86Å; C184-F218 HydrophobicContact CB-CG 4.42Å; C184-F218 HydrophobicContact CB-CZ 3.53Å
185R95.6Very high89.5Confident112 Ų11275 Ų7542%0.42344%0.441SS..  trans-64.8110.1176.6-173.1-174.5175.595.5-1.8110.4S187 P188 R214R185-S187 WeakPolarHBondContact CG-O 3.19Å; R185-S187 VanDerWaalsContact CZ-OG 3.22Å; R185-S187 PolarHBondContact NE-O 3.31Å; R185-S187 VanDerWaalsContact NE-O 3.12Å; R185-S187 PolarHBondContact NE-OG 3.35Å; R185-S187 PolarHBondContact NH2-OG 2.91Å; R185-P188 PolarHBondContact NE-O 3.36Å; R185-P188 PolarHBondContact NH2-O 3.43Å; R185-R214 WeakPolarHBondContact O-CD 3.28Å; R185-R214 WeakPolarHBondContact O-CG 3.38Å; R185-R214 PolarHBondContact O-NE 2.93Å; R185-R214 VanDerWaalsContact O-NE 3.09Å
186T94Very high88.9Confident111 Ų11172.4 Ų72.468%0.68143%0.429SS*.  trans-88.6-29.8173.953.50000112.2C184 F218C184-T186 PolarHBondContact O-N 2.99Å; T186-F218 HydrophobicContact CG2-CZ 4.4Å
187S94.9Very high88.8Confident54 Ų5473 Ų7338%0.37843%0.426SS..SBendtrans-65144.2176.756.90000111.8R185R185-S187 WeakPolarHBondContact CG-O 3.19Å; R185-S187 VanDerWaalsContact CZ-OG 3.22Å; R185-S187 PolarHBondContact NE-O 3.31Å; R185-S187 VanDerWaalsContact NE-O 3.12Å; R185-S187 PolarHBondContact NE-OG 3.35Å; R185-S187 PolarHBondContact NH2-OG 2.91Å
188P93.9Very high88.8Confident106 Ų10668.7 Ų68.769%0.68840%0.403SS*.PPolyproline II helixtrans-52.7144.1177-26.634.8000112.1R185R185-P188 PolarHBondContact NE-O 3.36Å; R185-P188 PolarHBondContact NH2-O 3.43Å
189C93.2Very high88.7Confident9 Ų967.6 Ų67.66%0.06140%0.396CS..PPolyproline II helixtrans-68.7142.8172.9-76.10000109.6V191 C210 H211C189-V191 PolarHBondContact O-N 2.9Å; C189-C210 VanDerWaalsContact CA-SG 3.56Å; C189-C210 HydrophobicContact CB-CB 3.75Å; C189-C210 WeakPolarHBondContact CB-SG 3.36Å; C189-C210 WeakPolarHBondContact SG-CB 3.26Å; C189-C210 CovalentContact SG-SG 2.05Å; C189-C210 PolarHBondContact SG-SG 3.47Å; C189-H211 WeakPolarHBondContact CB-CE1 3.29Å
190P91.8Very high88.7Confident70 Ų7067.4 Ų67.446%0.45539%0.394SS..PPolyproline II helixtrans-57.5135.4175.5-21.833.1000110.9V192P190-V192 HydrophobicContact CB-CG1 4.39Å; P190-V192 PolarHBondContact O-N 3.39Å
191V80.5Confident88.7Confident143 Ų14369.5 Ų69.587%0.86741%0.407SS*.  trans-93.382.5175-169.90000107.3C189C189-V191 PolarHBondContact O-N 2.9Å
192V77.3Confident88.7Confident79 Ų7971.9 Ų71.948%0.47942%0.419SS..  trans-95.8137.5173.8-62.50000110.1P190 S194 E195P190-V192 HydrophobicContact CB-CG1 4.39Å; P190-V192 PolarHBondContact O-N 3.39Å; V192-S194 PolarHBondContact O-N 2.93Å; V192-E195 HydrophobicContact CB-CG 4.43Å; V192-E195 HydrophobicContact CG2-CG 3.14Å; V192-E195 PolarHBondContact O-N 3.5Å
193A63.4Low88.7Confident121 Ų12174.1 Ų74.1100%143%0.429SS*.THydrogen-bonded Turntrans-66.1-10-169.200000114.9
194S64Low88.7Confident110 Ų11073.5 Ų73.577%0.76943%0.427SS*.THydrogen-bonded Turntrans-117.524.2-176.787.70000114.4V192 Q196V192-S194 PolarHBondContact O-N 2.93Å; S194-Q196 PolarHBondContact O-N 2.99Å
195E64.5Low88.7Confident74 Ų7474.8 Ų74.835%0.34644%0.435SS..  trans-73.8117.6176.6-58.8-142.1105.400111V192 Q197 S208V192-E195 HydrophobicContact CB-CG 4.43Å; V192-E195 HydrophobicContact CG2-CG 3.14Å; V192-E195 PolarHBondContact O-N 3.5Å; E195-Q197 PolarHBondContact O-N 2.87Å; E195-S208 WeakPolarHBondContact OE2-CB 3.34Å; E195-S208 PolarHBondContact OE2-OG 3.44Å
196Q82.3Confident88.7Confident117 Ų11770.7 Ų70.755%0.54742%0.419SS..  trans-68.2115.9173-168.7168.80.600108S194S194-Q196 PolarHBondContact O-N 2.99Å
197Q92.3Very high88.7Confident87 Ų8771.7 Ų71.741%0.40742%0.416SS..  trans-51.7152.8173.3-69.2-179.7-35.700110.7E195 T205 Y206 G229E195-Q197 PolarHBondContact O-N 2.87Å; Q197-T205 HydrophobicContact CB-CG2 4.05Å; Q197-T205 HydrophobicContact CG-CG2 4.39Å; Q197-Y206 WeakPolarHBondContact CA-O 3.48Å; Q197-G229 WeakPolarHBondContact O-CA 3.33Å; Q197-G229 PolarHBondContact O-N 3.07Å
198I94.8Very high88.6Confident9 Ų969.1 Ų69.15%0.04640%0.399CS..EExtended strand (participates in β ladder)trans-131.8128.9-178.8-57.4175.4000109.2T205 Y206 A209 L212 V225 Y228 G229I198-T205 CarbonylContact O-C 3.59Å; I198-T205 WeakPolarHBondContact O-CA 3.39Å; I198-Y206 PolarHBondContact N-O 3.15Å; I198-Y206 PolarHBondContact O-N 2.88Å; I198-A209 HydrophobicContact CD1-CB 3.88Å; I198-L212 HydrophobicContact CD1-CD2 4.48Å; I198-L212 HydrophobicContact CG2-CD2 3.9Å; I198-V225 HydrophobicContact CG2-CB 4.29Å; I198-V225 HydrophobicContact CG2-CG1 3.71Å; I198-V225 HydrophobicContact CG2-CG2 3.87Å; I198-Y228 HydrophobicContact CD1-CE1 4.39Å; I198-Y228 HydrophobicContact CG1-CD1 4.08Å; I198-Y228 HydrophobicContact CG1-CE1 4.37Å; I198-G229 CarbonylContact C-O 3.43Å
199C96.4Very high88.6Confident0 Ų065.9 Ų65.90%038%0.381CS..EExtended strand (participates in β ladder)trans-86.1119.6167.7-175.40000109.8R226 H227 G229 C231C199-R226 WeakPolarHBondContact O-CB 3.1Å; C199-R226 PolarHBondContact O-N 3.19Å; C199-H227 PolarHBondContact N-O 2.59Å; C199-H227 PolarHBondContact O-N 3.15Å; C199-G229 PolarHBondContact N-O 3.33Å; C199-G229 VanDerWaalsContact N-O 3.1Å; C199-C231 WeakPolarHBondContact CA-SG 3.36Å; C199-C231 HydrophobicContact CB-CB 3.91Å; C199-C231 WeakPolarHBondContact CB-SG 2.7Å; C199-C231 WeakPolarHBondContact SG-CA 3Å; C199-C231 WeakPolarHBondContact SG-CB 3.34Å; C199-C231 CovalentContact SG-SG 2.04Å; C199-C231 PolarHBondContact SG-SG 2.04Å
200G97.5Very high88.7Confident0 Ų066.7 Ų66.70%039%0.386CS..EExtended strand (participates in β ladder)trans-78163.3172.500000112.6D202 N203 I204 G224G200-D202 VanDerWaalsContact C-OD1 3.3Å; G200-D202 VanDerWaalsContact CA-OD1 3.3Å; G200-D202 WeakPolarHBondContact CA-OD1 3.31Å; G200-D202 PolarHBondContact O-N 3.36Å; G200-N203 PolarHBondContact O-N 3.46Å; G200-N203 VanDerWaalsContact O-N 3.07Å; G200-I204 PolarHBondContact N-O 3.39Å; G200-G224 WeakPolarHBondContact CA-O 3.37Å
201N97.6Very high88.9Confident86 Ų8665.5 Ų65.546%0.4637%0.374SS..THydrogen-bonded Turntrans-67.4-17.5173.9-66.7-42.4000113.3N203 I223 G224 R226N201-N203 PolarHBondContact O-N 2.91Å; N201-I223 VanDerWaalsContact CB-O 3.31Å; N201-I223 WeakPolarHBondContact CB-O 3.44Å; N201-I223 PolarHBondContact ND2-O 2.73Å; N201-G224 PolarHBondContact N-O 3.34Å; N201-G224 VanDerWaalsContact N-O 3.14Å; N201-R226 PolarHBondContact O-NH2 3.3Å; N201-R226 WeakPolarHBondContact OD1-CA 3.41Å; N201-R226 WeakPolarHBondContact OD1-CB 3.25Å
202D97.4Very high89.7Confident61 Ų6159.3 Ų59.333%0.32634%0.336SS..THydrogen-bonded Turntrans-73.53.4169.861.2-5.6000113.8G200 I204 Y206 I223G200-D202 VanDerWaalsContact C-OD1 3.3Å; G200-D202 VanDerWaalsContact CA-OD1 3.3Å; G200-D202 WeakPolarHBondContact CA-OD1 3.31Å; G200-D202 PolarHBondContact O-N 3.36Å; D202-I204 HydrophobicContact CB-CG1 4.45Å; D202-I204 PolarHBondContact O-N 3.16Å; D202-I204 PolarHBondContact OD1-N 2.88Å; D202-I204 VanDerWaalsContact OD1-N 3.08Å; D202-Y206 PolarHBondContact OD2-OH 3.33Å; D202-I223 HydrophobicContact CB-CG2 3.99Å; D202-I223 VanDerWaalsContact CG-CG2 3.46Å; D202-I223 WeakPolarHBondContact OD2-CG2 3.33Å
203N97.1Very high90.6Very high97 Ų9764.6 Ų64.652%0.51935%0.347SS..SBendtrans66.119.4-177.7-151.440.4000113.9G200 N201 R226 C231G200-N203 PolarHBondContact O-N 3.46Å; G200-N203 VanDerWaalsContact O-N 3.07Å; N201-N203 PolarHBondContact O-N 2.91Å; N203-R226 PolarHBondContact OD1-NH1 2.72Å; N203-C231 VanDerWaalsContact C-SG 3.55Å
204I97.8Very high92.2Very high88 Ų8863.2 Ų63.245%0.45132%0.316SS..  trans-100.4136.2176.8-60-179.8000109.5G200 D202 Y206 C231G200-I204 PolarHBondContact N-O 3.39Å; D202-I204 HydrophobicContact CB-CG1 4.45Å; D202-I204 PolarHBondContact O-N 3.16Å; D202-I204 PolarHBondContact OD1-N 2.88Å; D202-I204 VanDerWaalsContact OD1-N 3.08Å; I204-Y206 HydrophobicContact CB-CE2 3.83Å; I204-Y206 HydrophobicContact CG2-CD2 4.4Å; I204-Y206 HydrophobicContact CG2-CE1 4.25Å; I204-Y206 HydrophobicContact CG2-CE2 3.94Å; I204-Y206 WeakPolarHBondContact O-CD2 3.37Å; I204-C231 VanDerWaalsContact C-SG 3.56Å
205T96.3Very high93.8Very high37 Ų3759.4 Ų59.423%0.22729%0.292CS..EExtended strand (participates in β ladder)trans-90.1115.2172.1-60.80000110.2Q197 I198 H230 C231Q197-T205 HydrophobicContact CB-CG2 4.05Å; Q197-T205 HydrophobicContact CG-CG2 4.39Å; I198-T205 CarbonylContact O-C 3.59Å; I198-T205 WeakPolarHBondContact O-CA 3.39Å; T205-H230 WeakPolarHBondContact CB-ND1 3.35Å; T205-H230 HydrophobicContact CG2-CB 4.24Å; T205-H230 PolarHBondContact OG1-CE1 3.04Å; T205-H230 PolarHBondContact OG1-ND1 3.28Å; T205-C231 PolarHBondContact OG1-N 3.49Å; T205-C231 PolarHBondContact OG1-SG 3.37Å
206Y95.6Very high95.4Very high25 Ų2557.4 Ų57.410%0.09829%0.285CS..EExtended strand (participates in β ladder)trans-89.7135.1175.3-65.1-84.7000109.7Q197 I198 D202 I204 S208 H211 L212 A215 I223Q197-Y206 WeakPolarHBondContact CA-O 3.48Å; I198-Y206 PolarHBondContact N-O 3.15Å; I198-Y206 PolarHBondContact O-N 2.88Å; D202-Y206 PolarHBondContact OD2-OH 3.33Å; I204-Y206 HydrophobicContact CB-CE2 3.83Å; I204-Y206 HydrophobicContact CG2-CD2 4.4Å; I204-Y206 HydrophobicContact CG2-CE1 4.25Å; I204-Y206 HydrophobicContact CG2-CE2 3.94Å; I204-Y206 WeakPolarHBondContact O-CD2 3.37Å; Y206-S208 PolarHBondContact O-N 3.42Å; Y206-H211 HydrophobicContact CD1-CB 4.29Å; Y206-L212 HydrophobicContact CD1-CB 4.16Å; Y206-L212 HydrophobicContact CD1-CD1 4.46Å; Y206-L212 HydrophobicContact CD2-CB 4.12Å; Y206-L212 HydrophobicContact CD2-CD1 3.52Å; Y206-L212 HydrophobicContact CD2-CG 4.35Å; Y206-L212 HydrophobicContact CE1-CD1 4.41Å; Y206-L212 HydrophobicContact CE2-CD1 3.46Å; Y206-L212 VanDerWaalsContact CE2-CD1 3.46Å; Y206-L212 HydrophobicContact CG-CB 3.79Å; Y206-L212 HydrophobicContact CG-CD1 4.03Å; Y206-L212 HydrophobicContact CG-CG 4.5Å; Y206-A215 HydrophobicContact CD1-CB 4.37Å; Y206-A215 HydrophobicContact CE1-CB 3.45Å; Y206-A215 VanDerWaalsContact CE1-CB 3.45Å; Y206-I223 WeakPolarHBondContact OH-CD1 3.46Å
207Q94.1Very high96.2Very high132 Ų13252.9 Ų52.962%0.61727%0.266SS*.SBendtrans-60-28.5178-63.9179.418.800111.7
208S93.1Very high96.4Very high1 Ų153.6 Ų53.61%0.00727%0.268CS..SBendtrans-164177.3174.871.60000114.7E195 Y206 C210 H211 L212E195-S208 WeakPolarHBondContact OE2-CB 3.34Å; E195-S208 PolarHBondContact OE2-OG 3.44Å; Y206-S208 PolarHBondContact O-N 3.42Å; S208-C210 VanDerWaalsContact C-N 3.26Å; S208-C210 PolarHBondContact O-N 3.23Å; S208-C210 PolarHBondContact OG-N 3.01Å; S208-H211 PolarHBondContact O-N 2.91Å; S208-H211 VanDerWaalsContact O-N 3.15Å; S208-H211 PolarHBondContact OG-ND1 2.87Å; S208-L212 PolarHBondContact O-N 2.82Å
209A94Very high96.6Very high38 Ų3857.2 Ų57.231%0.31429%0.287SS..Hα-helixtrans-59.1-34.817300000112.8I198 L212 R213I198-A209 HydrophobicContact CD1-CB 3.88Å; A209-L212 PolarHBondContact O-N 3.43Å; A209-R213 WeakPolarHBondContact O-CB 3.22Å; A209-R213 VanDerWaalsContact O-CG 3.26Å; A209-R213 WeakPolarHBondContact O-CG 3.36Å; A209-R213 PolarHBondContact O-N 2.86Å
210C95.6Very high96.6Very high25 Ų2557.7 Ų57.717%0.16929%0.292CS..Hα-helixtrans-62-46.4174.8179.20000110.8C189 S208 R213 R214C189-C210 VanDerWaalsContact CA-SG 3.56Å; C189-C210 HydrophobicContact CB-CB 3.75Å; C189-C210 WeakPolarHBondContact CB-SG 3.36Å; C189-C210 WeakPolarHBondContact SG-CB 3.26Å; C189-C210 CovalentContact SG-SG 2.05Å; C189-C210 PolarHBondContact SG-SG 3.47Å; S208-C210 VanDerWaalsContact C-N 3.26Å; S208-C210 PolarHBondContact O-N 3.23Å; S208-C210 PolarHBondContact OG-N 3.01Å; C210-R213 PolarHBondContact O-N 3.43Å; C210-R214 VanDerWaalsContact O-CB 3.29Å; C210-R214 WeakPolarHBondContact O-CB 3.38Å; C210-R214 PolarHBondContact O-N 3.26Å
211H95.9Very high96.5Very high46 Ų4662.4 Ų62.421%0.21331%0.313CS..Hα-helixtrans-64.4-43.1179.6-66.191000112C189 Y206 S208 R214 A215C189-H211 WeakPolarHBondContact CB-CE1 3.29Å; Y206-H211 HydrophobicContact CD1-CB 4.29Å; S208-H211 PolarHBondContact O-N 2.91Å; S208-H211 VanDerWaalsContact O-N 3.15Å; S208-H211 PolarHBondContact OG-ND1 2.87Å; H211-R214 PolarHBondContact O-N 2.75Å; H211-A215 WeakPolarHBondContact O-CB 3.42Å; H211-A215 PolarHBondContact O-N 2.78Å
212L96.6Very high96.5Very high13 Ų1362.6 Ų62.67%0.06832%0.322CS..Hα-helixtrans-62.1-47.1175.3175.664.3000111.9I198 Y206 S208 A209 R214 A215 T216 I223 V225I198-L212 HydrophobicContact CD1-CD2 4.48Å; I198-L212 HydrophobicContact CG2-CD2 3.9Å; Y206-L212 HydrophobicContact CD1-CB 4.16Å; Y206-L212 HydrophobicContact CD1-CD1 4.46Å; Y206-L212 HydrophobicContact CD2-CB 4.12Å; Y206-L212 HydrophobicContact CD2-CD1 3.52Å; Y206-L212 HydrophobicContact CD2-CG 4.35Å; Y206-L212 HydrophobicContact CE1-CD1 4.41Å; Y206-L212 HydrophobicContact CE2-CD1 3.46Å; Y206-L212 VanDerWaalsContact CE2-CD1 3.46Å; Y206-L212 HydrophobicContact CG-CB 3.79Å; Y206-L212 HydrophobicContact CG-CD1 4.03Å; Y206-L212 HydrophobicContact CG-CG 4.5Å; S208-L212 PolarHBondContact O-N 2.82Å; A209-L212 PolarHBondContact O-N 3.43Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-R214 PolarHBondContact O-N 3.13Å; L212-A215 PolarHBondContact O-N 3.23Å; L212-T216 WeakPolarHBondContact O-CB 3.47Å; L212-T216 PolarHBondContact O-N 3.24Å; L212-T216 PolarHBondContact O-OG1 2.6Å; L212-I223 HydrophobicContact CD1-CB 4.19Å; L212-I223 HydrophobicContact CD1-CD1 4.35Å; L212-I223 HydrophobicContact CD1-CG2 4.09Å; L212-V225 HydrophobicContact CD2-CG2 3.64Å
213R96.9Very high96.5Very high189 Ų18960.5 Ų60.571%0.71331%0.31SS*.Hα-helixtrans-63.1-40.5178.5-74.6174.5-179.7168.80.9111.9A209 C210 T216 C217A209-R213 WeakPolarHBondContact O-CB 3.22Å; A209-R213 VanDerWaalsContact O-CG 3.26Å; A209-R213 WeakPolarHBondContact O-CG 3.36Å; A209-R213 PolarHBondContact O-N 2.86Å; C210-R213 PolarHBondContact O-N 3.43Å; R213-T216 PolarHBondContact O-N 3.17Å; R213-C217 WeakPolarHBondContact O-CB 3.48Å; R213-C217 PolarHBondContact O-N 2.97Å
214R97.2Very high96.5Very high92 Ų9257.3 Ų57.335%0.34730%0.3SS..Hα-helixtrans-61.8-48.6176.3-174.7177.1176.3-139.8-4.7110.9R185 C210 H211 L212 C217 F218R185-R214 WeakPolarHBondContact O-CD 3.28Å; R185-R214 WeakPolarHBondContact O-CG 3.38Å; R185-R214 PolarHBondContact O-NE 2.93Å; R185-R214 VanDerWaalsContact O-NE 3.09Å; C210-R214 VanDerWaalsContact O-CB 3.29Å; C210-R214 WeakPolarHBondContact O-CB 3.38Å; C210-R214 PolarHBondContact O-N 3.26Å; H211-R214 PolarHBondContact O-N 2.75Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-R214 PolarHBondContact O-N 3.13Å; R214-C217 PolarHBondContact O-N 2.76Å; R214-F218 HydrophobicContact CG-CD2 3.92Å; R214-F218 HydrophobicContact CG-CE2 3.72Å; R214-F218 WeakPolarHBondContact O-CD2 3.31Å; R214-F218 PolarHBondContact O-N 3.14Å; R214-F218 VanDerWaalsContact O-N 3.13Å
215A97.8Very high96.4Very high31 Ų3156.2 Ų56.226%0.25630%0.297SS..Hα-helixtrans-61.8-44.9176.200000112.2Y206 H211 L212 C217 F218 L219 I223Y206-A215 HydrophobicContact CD1-CB 4.37Å; Y206-A215 HydrophobicContact CE1-CB 3.45Å; Y206-A215 VanDerWaalsContact CE1-CB 3.45Å; H211-A215 WeakPolarHBondContact O-CB 3.42Å; H211-A215 PolarHBondContact O-N 2.78Å; L212-A215 PolarHBondContact O-N 3.23Å; A215-C217 VanDerWaalsContact C-N 3.29Å; A215-C217 PolarHBondContact O-N 2.55Å; A215-F218 PolarHBondContact O-N 3Å; A215-L219 VanDerWaalsContact O-CB 3.25Å; A215-L219 WeakPolarHBondContact O-CB 3.42Å; A215-L219 PolarHBondContact O-N 3.46Å; A215-I223 HydrophobicContact CB-CD1 4.12Å
216T98.2Very high96.4Very high31 Ų3159.6 Ų59.619%0.1931%0.306CS..Hα-helixtrans-56.9-42.9175.8-58.60000111.6L212 R213 L219 G220 H221L212-T216 WeakPolarHBondContact O-CB 3.47Å; L212-T216 PolarHBondContact O-N 3.24Å; L212-T216 PolarHBondContact O-OG1 2.6Å; R213-T216 PolarHBondContact O-N 3.17Å; T216-L219 PolarHBondContact O-N 2.75Å; T216-G220 PolarHBondContact O-N 2.96Å; T216-G220 VanDerWaalsContact O-N 3.15Å; T216-H221 WeakPolarHBondContact CG2-O 3.01Å
217C98.3Very high96.3Very high23 Ų2359.9 Ų59.916%0.15531%0.308CS..Hα-helixtrans-64.6-48.3179.6-167.50000111.9T170 V172 C184 R213 R214 A215 L219 G220T170-C217 WeakPolarHBondContact CG2-O 3.3Å; V172-C217 WeakPolarHBondContact CG1-O 3.43Å; C184-C217 WeakPolarHBondContact CA-SG 3.29Å; C184-C217 HydrophobicContact CB-CB 3.88Å; C184-C217 WeakPolarHBondContact CB-SG 3.35Å; C184-C217 WeakPolarHBondContact SG-CB 3.44Å; C184-C217 CovalentContact SG-SG 2.03Å; C184-C217 PolarHBondContact SG-SG 3.31Å; R213-C217 WeakPolarHBondContact O-CB 3.48Å; R213-C217 PolarHBondContact O-N 2.97Å; R214-C217 PolarHBondContact O-N 2.76Å; A215-C217 VanDerWaalsContact C-N 3.29Å; A215-C217 PolarHBondContact O-N 2.55Å; C217-L219 VanDerWaalsContact C-N 3.28Å; C217-L219 PolarHBondContact O-N 2.9Å; C217-G220 PolarHBondContact O-N 3.08Å
218F97.2Very high96.2Very high101 Ų10160.2 Ų60.244%0.44331%0.305SS..Hα-helixtrans-70-24.8178-73.4-65.3000113.5C184 T186 R214 A215 G220C184-F218 HydrophobicContact CB-CD1 4.14Å; C184-F218 HydrophobicContact CB-CD2 4.31Å; C184-F218 HydrophobicContact CB-CE1 3.69Å; C184-F218 HydrophobicContact CB-CE2 3.86Å; C184-F218 HydrophobicContact CB-CG 4.42Å; C184-F218 HydrophobicContact CB-CZ 3.53Å; T186-F218 HydrophobicContact CG2-CZ 4.4Å; R214-F218 HydrophobicContact CG-CD2 3.92Å; R214-F218 HydrophobicContact CG-CE2 3.72Å; R214-F218 WeakPolarHBondContact O-CD2 3.31Å; R214-F218 PolarHBondContact O-N 3.14Å; R214-F218 VanDerWaalsContact O-N 3.13Å; A215-F218 PolarHBondContact O-N 3Å; F218-G220 VanDerWaalsContact C-N 3.31Å
219L97.4Very high96.2Very high86 Ų8661 Ų6145%0.4531%0.314SS..Hα-helixtrans-72.1-25.7172.8-177.263.8000112.5A215 T216 C217 H221 I223A215-L219 VanDerWaalsContact O-CB 3.25Å; A215-L219 WeakPolarHBondContact O-CB 3.42Å; A215-L219 PolarHBondContact O-N 3.46Å; T216-L219 PolarHBondContact O-N 2.75Å; C217-L219 VanDerWaalsContact C-N 3.28Å; C217-L219 PolarHBondContact O-N 2.9Å; L219-H221 VanDerWaalsContact C-N 3.33Å; L219-H221 VanDerWaalsContact CG-CE1 3.41Å; L219-H221 WeakPolarHBondContact CG-CE1 3.44Å; L219-H221 PolarHBondContact O-N 3.39Å; L219-H221 PolarHBondContact O-ND1 3.29Å; L219-I223 HydrophobicContact CD2-CD1 3.87Å; L219-I223 HydrophobicContact CD2-CG1 3.38Å
220G97Very high96.2Very high10 Ų1062.8 Ų62.810%0.10332%0.315CS..THydrogen-bonded Turntrans83.70.2178.900000115.1C171 V172 T173 T216 C217 F218C171-G220 VanDerWaalsContact O-CA 3.29Å; C171-G220 WeakPolarHBondContact O-CA 3.39Å; V172-G220 CarbonylContact C-O 3.49Å; V172-G220 VanDerWaalsContact CA-O 3.28Å; V172-G220 WeakPolarHBondContact CA-O 3.06Å; T173-G220 PolarHBondContact N-O 3.1Å; T173-G220 PolarHBondContact OG1-O 2.89Å; T216-G220 PolarHBondContact O-N 2.96Å; T216-G220 VanDerWaalsContact O-N 3.15Å; C217-G220 PolarHBondContact O-N 3.08Å; F218-G220 VanDerWaalsContact C-N 3.31Å
221H96.3Very high96.1Very high98 Ų9862.5 Ų62.545%0.45431%0.313SS..SBendtrans-154.7162.9175.363.6-84.2000111.6T216 L219 I223T216-H221 WeakPolarHBondContact CG2-O 3.01Å; L219-H221 VanDerWaalsContact C-N 3.33Å; L219-H221 VanDerWaalsContact CG-CE1 3.41Å; L219-H221 WeakPolarHBondContact CG-CE1 3.44Å; L219-H221 PolarHBondContact O-N 3.39Å; L219-H221 PolarHBondContact O-ND1 3.29Å; H221-I223 PolarHBondContact O-N 2.84Å
222S96.9Very high96Very high91 Ų9166.8 Ų66.864%0.63634%0.338SS*.  trans-62116.9-176.5-66.10000113
223I97.8Very high95.5Very high16 Ų1668.9 Ų68.98%0.08235%0.353CS..  trans-73.1-47.5166.1-60.1174.4000109.5N201 D202 Y206 L212 A215 L219 H221N201-I223 VanDerWaalsContact CB-O 3.31Å; N201-I223 WeakPolarHBondContact CB-O 3.44Å; N201-I223 PolarHBondContact ND2-O 2.73Å; D202-I223 HydrophobicContact CB-CG2 3.99Å; D202-I223 VanDerWaalsContact CG-CG2 3.46Å; D202-I223 WeakPolarHBondContact OD2-CG2 3.33Å; Y206-I223 WeakPolarHBondContact OH-CD1 3.46Å; L212-I223 HydrophobicContact CD1-CB 4.19Å; L212-I223 HydrophobicContact CD1-CD1 4.35Å; L212-I223 HydrophobicContact CD1-CG2 4.09Å; A215-I223 HydrophobicContact CB-CD1 4.12Å; L219-I223 HydrophobicContact CD2-CD1 3.87Å; L219-I223 HydrophobicContact CD2-CG1 3.38Å; H221-I223 PolarHBondContact O-N 2.84Å
224G95.5Very high94.7Very high30 Ų3064.9 Ų64.931%0.30935%0.352SS..  trans76.1157.3-176.400000113.5G200 N201G200-G224 WeakPolarHBondContact CA-O 3.37Å; N201-G224 PolarHBondContact N-O 3.34Å; N201-G224 VanDerWaalsContact N-O 3.14Å
225V96.6Very high93.4Very high65 Ų6565 Ų6539%0.39437%0.365SS..EExtended strand (participates in β ladder)trans-89.1129177.9177.30000109I198 L212I198-V225 HydrophobicContact CG2-CB 4.29Å; I198-V225 HydrophobicContact CG2-CG1 3.71Å; I198-V225 HydrophobicContact CG2-CG2 3.87Å; L212-V225 HydrophobicContact CD2-CG2 3.64Å
226R95.7Very high91.8Very high108 Ų10874.2 Ų74.241%0.40839%0.393SS..EExtended strand (participates in β ladder)trans-84.3-53.2169.3-168.5-174.1-68.2161.5-1110.8C199 N201 N203C199-R226 WeakPolarHBondContact O-CB 3.1Å; C199-R226 PolarHBondContact O-N 3.19Å; N201-R226 PolarHBondContact O-NH2 3.3Å; N201-R226 WeakPolarHBondContact OD1-CA 3.41Å; N201-R226 WeakPolarHBondContact OD1-CB 3.25Å; N203-R226 PolarHBondContact OD1-NH1 2.72Å
227H93.8Very high89.8Confident32 Ų3279.3 Ų79.315%0.14842%0.419CS..EExtended strand (participates in β ladder)trans-161.8164.117262.990.5000110.9C199 H230C199-H227 PolarHBondContact N-O 2.59Å; C199-H227 PolarHBondContact O-N 3.15Å; H227-H230 PolarHBondContact CE1-O 2.78Å; H227-H230 VanDerWaalsContact CE1-O 3.31Å
228Y92.9Very high87.8Confident139 Ų13983.8 Ų83.855%0.54545%0.45SS..EExtended strand (participates in β ladder)trans-78.3150.6171.8-63.8-83.4000111.3I198I198-Y228 HydrophobicContact CD1-CE1 4.39Å; I198-Y228 HydrophobicContact CG1-CD1 4.08Å; I198-Y228 HydrophobicContact CG1-CE1 4.37Å
229G92.1Very high85.6Confident18 Ų1887.3 Ų87.319%0.18647%0.468CS..SBendtrans92.4-176-171.500000113.1Q197 I198 C199Q197-G229 WeakPolarHBondContact O-CA 3.33Å; Q197-G229 PolarHBondContact O-N 3.07Å; I198-G229 CarbonylContact C-O 3.43Å; C199-G229 PolarHBondContact N-O 3.33Å; C199-G229 VanDerWaalsContact N-O 3.1Å
230H94.1Very high83.2Confident75 Ų7592.1 Ų92.135%0.34749%0.485SS..  trans-69.9141.6176.2-167.51.6000110.6T205 H227 N232 S233T205-H230 WeakPolarHBondContact CB-ND1 3.35Å; T205-H230 HydrophobicContact CG2-CB 4.24Å; T205-H230 PolarHBondContact OG1-CE1 3.04Å; T205-H230 PolarHBondContact OG1-ND1 3.28Å; H227-H230 PolarHBondContact CE1-O 2.78Å; H227-H230 VanDerWaalsContact CE1-O 3.31Å; H230-N232 PolarHBondContact O-N 3.48Å; H230-S233 VanDerWaalsContact O-CB 3.24Å; H230-S233 WeakPolarHBondContact O-CB 3.24Å; H230-S233 PolarHBondContact O-N 2.84Å; H230-S233 PolarHBondContact O-OG 3.31Å
231C94.9Very high80.7Confident18 Ų18101.1 Ų101.112%0.12252%0.522CS..THydrogen-bonded Turntrans-54-26.4179.9-690000115.3C199 N203 I204 T205C199-C231 WeakPolarHBondContact CA-SG 3.36Å; C199-C231 HydrophobicContact CB-CB 3.91Å; C199-C231 WeakPolarHBondContact CB-SG 2.7Å; C199-C231 WeakPolarHBondContact SG-CA 3Å; C199-C231 WeakPolarHBondContact SG-CB 3.34Å; C199-C231 CovalentContact SG-SG 2.04Å; C199-C231 PolarHBondContact SG-SG 2.04Å; N203-C231 VanDerWaalsContact C-SG 3.55Å; I204-C231 VanDerWaalsContact C-SG 3.56Å; T205-C231 PolarHBondContact OG1-N 3.49Å; T205-C231 PolarHBondContact OG1-SG 3.37Å
232N93.4Very high78.2Confident137 Ų137107.8 Ų107.873%0.73354%0.543SS*.THydrogen-bonded Turntrans-87.2-6.2177.5-63.3-24000113.3H230H230-N232 PolarHBondContact O-N 3.48Å
233S86.4Confident75.4Confident56 Ų56109.2 Ų109.239%0.39255%0.548SS..SBendtrans-79.9142.5174.9-61.30000110.1H230H230-S233 VanDerWaalsContact O-CB 3.24Å; H230-S233 WeakPolarHBondContact O-CB 3.24Å; H230-S233 PolarHBondContact O-N 2.84Å; H230-S233 PolarHBondContact O-OG 3.31Å
234P78.4Confident72.7Confident106 Ų106113.8 Ų113.869%0.68858%0.581SS**PPolyproline II helixtrans-58.5142.4171.125.2-32.7000109.7R236P234-R236 PolarHBondContact O-N 3.05Å
235P70.1Confident70.4Confident95 Ų95121.8 Ų121.862%0.61761%0.611SS**PPolyproline II helixtrans-58.3118178.621.5-29.8000108.8N237P235-N237 PolarHBondContact O-N 2.91Å; P235-N237 VanDerWaalsContact O-N 3.11Å
236R63.9Low67.8Low223 Ų223127.4 Ų127.484%0.84263%0.633SS**  trans-67.7113.2173.8-73.6-170.5-172.6-167.22.9107.6P234 S238P234-R236 PolarHBondContact O-N 3.05Å; R236-S238 PolarHBondContact O-N 3.11Å; R236-S238 VanDerWaalsContact O-N 3.11Å
237N57.5Low65.4Low139 Ų139130.3 Ų130.374%0.74366%0.656SS**  trans-51.9118.2167.7-92-17.7000108.9P235 H239P235-N237 PolarHBondContact O-N 2.91Å; P235-N237 VanDerWaalsContact O-N 3.11Å; N237-H239 PolarHBondContact O-N 3.11Å
238S56.2Low63Low117 Ų117133.3 Ų133.382%0.81869%0.687SS**THydrogen-bonded Turntrans-6915.5177.346.50000114R236R236-S238 PolarHBondContact O-N 3.11Å; R236-S238 VanDerWaalsContact O-N 3.11Å
239H50.4Low60.6Low175 Ų175137.2 Ų137.281%0.8173%0.725SS**THydrogen-bonded Turntrans-90.610.2-178.7-85.3-67.4000115N237N237-H239 PolarHBondContact O-N 3.11Å
240K46.2Very low59.1Low186 Ų186143.2 Ų143.281%0.80975%0.752SS**SBendtrans-126.933-177.5-136.3179.2-173.3-178.50115.6
241F44.9Very low57.2Low199 Ų199146.8 Ų146.887%0.87377%0.773SS**SBendtrans-119.621.2168.3-147.5-95.3000113.3
242R43.3Very low55.1Low239 Ų239153.9 Ų153.990%0.90281%0.809SS**SBendtrans-132.739.2177.9-146.6-179.1-173.4-176.21.2113.6
243T39.3Very low52.9Low120 Ų120154.9 Ų154.974%0.73681%0.814SS**SBendtrans-151.671.1167.254.70000109.8
244S41.8Very low50.8Low113 Ų113161.1 Ų161.179%0.7984%0.84SS**SBendtrans-154.615.9160.555.90000114.9
245E45.7Very low48.9Very low197 Ų197164.8 Ų164.892%0.92185%0.85SS**SBendtrans-128.817.8174.1-77.5-175.9141.100114
246E43.5Very low47.4Very low184 Ų184169.8 Ų169.886%0.8687%0.867SS**SBendtrans-123.370.8172-152.6166.1-159.500108.7
247N44.2Very low46.2Very low168 Ų168165.7 Ų165.790%0.89887%0.869SS**  trans-170.768.6156.8-87.4-27000108.1
248A43.3Very low45.2Very low96 Ų96167.9 Ų167.979%0.79388%0.879SS**  trans-150.572.7162.400000108.5
249V43.7Very low44.2Very low221 Ų221172.5 Ų172.5100%1.33989%0.885SS**  trans-140.80151-178.30000106.9

Retrieved 249 of 249 residues in 580.9 ms (Link to these results)